USER MOD reduce.3.24.130724 H: found=0, std=0, add=1029, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1027 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 16 GLN : amide:sc= -3.55! C(o=-3.6!,f=-8.9!) USER MOD Set 1.2: A 56 SER OG : rot -179:sc= -0.0552 USER MOD Set 2.1: A 46 ASN : amide:sc= -2.58! C(o=-2.7!,f=-2.8!) USER MOD Set 2.2: A 48 GLN : amide:sc= -0.0756 K(o=-2.7,f=-4.4) USER MOD Set 3.1: A 34 HIS : no HD1:sc= -4.63! C(o=-4.3!,f=-5.3!) USER MOD Set 3.2: B 24 GLN : amide:sc= 0.33 K(o=-4.3,f=-6.6) USER MOD Set 4.1: A 30 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 69 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Set 5.1: A 27 LYS NZ :NH3+ -171:sc= -0.0579 (180deg=-0.0717) USER MOD Set 5.2: A 29 LYS NZ :NH3+ 140:sc= -0.137 (180deg=-2.02!) USER MOD Set 5.3: B 25 SER OG : rot -55:sc= -1.73 USER MOD Single : A 10 GLN :FLIP amide:sc= 0 F(o=-0.5,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.23 X(o=-1.2,f=-1.7!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.0053) USER MOD Single : A 21 LYS NZ :NH3+ -158:sc= -0.0158 (180deg=-0.212) USER MOD Single : A 22 ASN : amide:sc= -3.75! C(o=-3.8!,f=-4.9!) USER MOD Single : A 24 GLN : amide:sc= -0.753 X(o=-0.75,f=-0.7) USER MOD Single : A 25 SER OG : rot 180:sc= -1.2 USER MOD Single : A 37 GLN : amide:sc= -0.0134 X(o=-0.013,f=-0.42) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.245) USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= 0.91 (180deg=-1.85!) USER MOD Single : A 53 ASN : amide:sc= -0.967 K(o=-0.97,f=-2.5) USER MOD Single : A 58 MET CE :methyl 158:sc= -0.554 (180deg=-1.79!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -151:sc= -3.35 (180deg=-6.93!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.79 K(o=-1.8,f=-7.4!) USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 13 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -0.0615 X(o=-0.062,f=0) USER MOD Single : B 19 HIS : no HD1:sc= -0.418 X(o=-0.42,f=-0.28) USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.8!) USER MOD Single : B 27 LYS NZ :NH3+ -156:sc= -0.0177 (180deg=-0.626) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 146:sc= 0.0434 USER MOD Single : B 34 HIS : no HD1:sc= -4.14! C(o=-4.1!,f=-5.6!) USER MOD Single : B 37 GLN : amide:sc= -0.534 K(o=-0.53,f=-2.1) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.0011 USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 ASN : amide:sc= -2.57! C(o=-2.6!,f=-3!) USER MOD Single : B 48 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 53 ASN : amide:sc= -0.2 K(o=-0.2,f=-3!) USER MOD Single : B 56 SER OG : rot 180:sc= -0.399 USER MOD Single : B 58 MET CE :methyl -174:sc= 0 (180deg=-0.114) USER MOD Single : B 60 LYS NZ :NH3+ 143:sc= -0.649 (180deg=-2.35!) USER MOD Single : B 61 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.132) USER MOD Single : B 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 MET CE :methyl -171:sc= -9.45! (180deg=-10.2!) USER MOD Single : B 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 8 -4.407 -14.479 -10.775 1.00 0.00 N ATOM 50 CA ARG A 8 -3.950 -15.053 -9.520 1.00 0.00 C ATOM 51 C ARG A 8 -3.264 -13.984 -8.667 1.00 0.00 C ATOM 52 O ARG A 8 -3.694 -12.832 -8.645 1.00 0.00 O ATOM 53 CB ARG A 8 -2.974 -16.205 -9.764 1.00 0.00 C ATOM 54 CG ARG A 8 -3.441 -17.082 -10.928 1.00 0.00 C ATOM 55 CD ARG A 8 -2.329 -18.030 -11.380 1.00 0.00 C ATOM 56 NE ARG A 8 -2.915 -19.231 -12.017 1.00 0.00 N ATOM 57 CZ ARG A 8 -2.255 -20.027 -12.869 1.00 0.00 C ATOM 58 NH1 ARG A 8 -0.983 -19.756 -13.191 1.00 0.00 N ATOM 59 NH2 ARG A 8 -2.867 -21.095 -13.399 1.00 0.00 N ATOM 0 HA ARG A 8 -4.823 -15.438 -8.994 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.982 -15.807 -9.979 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.886 -16.809 -8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.315 -17.659 -10.626 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.748 -16.452 -11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -1.669 -17.521 -12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.719 -18.323 -10.525 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.882 -19.467 -11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.517 -18.943 -12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.481 -20.362 -13.840 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.835 -21.302 -13.154 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.365 -21.701 -14.048 1.00 0.00 H new ATOM 73 N CYS A 9 -2.210 -14.405 -7.984 1.00 0.00 N ATOM 74 CA CYS A 9 -1.460 -13.498 -7.131 1.00 0.00 C ATOM 75 C CYS A 9 -0.486 -12.709 -8.008 1.00 0.00 C ATOM 76 O CYS A 9 -0.251 -13.069 -9.161 1.00 0.00 O ATOM 77 CB CYS A 9 -0.739 -14.245 -6.007 1.00 0.00 C ATOM 78 SG CYS A 9 -1.839 -14.950 -4.726 1.00 0.00 S ATOM 0 H CYS A 9 -1.857 -15.362 -8.004 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.145 -12.808 -6.639 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.151 -15.051 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.037 -13.562 -5.528 1.00 0.00 H new ATOM 83 N GLN A 10 0.055 -11.647 -7.428 1.00 0.00 N ATOM 84 CA GLN A 10 0.999 -10.804 -8.142 1.00 0.00 C ATOM 85 C GLN A 10 2.427 -11.093 -7.677 1.00 0.00 C ATOM 86 O GLN A 10 3.384 -10.543 -8.220 1.00 0.00 O ATOM 87 CB GLN A 10 0.654 -9.324 -7.966 1.00 0.00 C ATOM 88 CG GLN A 10 1.468 -8.453 -8.925 1.00 0.00 C ATOM 89 CD GLN A 10 0.755 -7.128 -9.202 1.00 0.00 C ATOM 90 OE1 GLN A 10 0.770 -6.281 -8.176 1.00 0.00 O flip ATOM 91 NE2 GLN A 10 0.226 -6.890 -10.275 1.00 0.00 N flip ATOM 0 H GLN A 10 -0.143 -11.351 -6.472 1.00 0.00 H new ATOM 0 HA GLN A 10 0.931 -11.036 -9.205 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.410 -9.171 -8.145 1.00 0.00 H new ATOM 0 HB3 GLN A 10 0.851 -9.021 -6.938 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.452 -8.258 -8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.627 -8.987 -9.862 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.251 -7.585 -11.021 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -0.241 -5.996 -10.426 1.00 0.00 H new ATOM 100 N CYS A 11 2.526 -11.956 -6.676 1.00 0.00 N ATOM 101 CA CYS A 11 3.822 -12.325 -6.132 1.00 0.00 C ATOM 102 C CYS A 11 3.765 -13.795 -5.711 1.00 0.00 C ATOM 103 O CYS A 11 2.781 -14.238 -5.121 1.00 0.00 O ATOM 104 CB CYS A 11 4.228 -11.415 -4.971 1.00 0.00 C ATOM 105 SG CYS A 11 5.761 -10.456 -5.248 1.00 0.00 S ATOM 0 H CYS A 11 1.730 -12.410 -6.228 1.00 0.00 H new ATOM 0 HA CYS A 11 4.590 -12.195 -6.895 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.413 -10.720 -4.770 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.354 -12.025 -4.077 1.00 0.00 H new ATOM 110 N LEU A 12 4.833 -14.511 -6.031 1.00 0.00 N ATOM 111 CA LEU A 12 4.918 -15.921 -5.694 1.00 0.00 C ATOM 112 C LEU A 12 5.919 -16.110 -4.553 1.00 0.00 C ATOM 113 O LEU A 12 5.959 -17.166 -3.925 1.00 0.00 O ATOM 114 CB LEU A 12 5.240 -16.751 -6.938 1.00 0.00 C ATOM 115 CG LEU A 12 4.486 -16.369 -8.213 1.00 0.00 C ATOM 116 CD1 LEU A 12 5.298 -16.728 -9.459 1.00 0.00 C ATOM 117 CD2 LEU A 12 3.092 -17.002 -8.236 1.00 0.00 C ATOM 0 H LEU A 12 5.647 -14.140 -6.521 1.00 0.00 H new ATOM 0 HA LEU A 12 3.955 -16.285 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.309 -16.674 -7.135 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.031 -17.798 -6.716 1.00 0.00 H new ATOM 0 HG LEU A 12 4.350 -15.288 -8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.739 -16.446 -10.351 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.247 -16.193 -9.441 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.487 -17.801 -9.473 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.577 -16.715 -9.153 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.185 -18.087 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.521 -16.655 -7.375 1.00 0.00 H new ATOM 129 N GLN A 13 6.704 -15.068 -4.319 1.00 0.00 N ATOM 130 CA GLN A 13 7.703 -15.105 -3.264 1.00 0.00 C ATOM 131 C GLN A 13 7.651 -13.818 -2.439 1.00 0.00 C ATOM 132 O GLN A 13 6.926 -12.885 -2.781 1.00 0.00 O ATOM 133 CB GLN A 13 9.101 -15.331 -3.842 1.00 0.00 C ATOM 134 CG GLN A 13 9.948 -16.196 -2.906 1.00 0.00 C ATOM 135 CD GLN A 13 11.075 -15.378 -2.273 1.00 0.00 C ATOM 136 OE1 GLN A 13 11.603 -14.445 -2.856 1.00 0.00 O ATOM 137 NE2 GLN A 13 11.415 -15.779 -1.051 1.00 0.00 N ATOM 0 H GLN A 13 6.668 -14.193 -4.842 1.00 0.00 H new ATOM 0 HA GLN A 13 7.478 -15.944 -2.605 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.022 -15.813 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.593 -14.371 -4.000 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.317 -16.618 -2.124 1.00 0.00 H new ATOM 0 HG3 GLN A 13 10.370 -17.034 -3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 13 10.932 -16.568 -0.620 1.00 0.00 H new ATOM 0 HE22 GLN A 13 12.158 -15.298 -0.545 1.00 0.00 H new ATOM 146 N THR A 14 8.431 -13.808 -1.368 1.00 0.00 N ATOM 147 CA THR A 14 8.484 -12.650 -0.491 1.00 0.00 C ATOM 148 C THR A 14 9.807 -12.623 0.277 1.00 0.00 C ATOM 149 O THR A 14 10.528 -13.619 0.314 1.00 0.00 O ATOM 150 CB THR A 14 7.254 -12.689 0.417 1.00 0.00 C ATOM 151 OG1 THR A 14 7.228 -14.026 0.909 1.00 0.00 O ATOM 152 CG2 THR A 14 5.945 -12.553 -0.363 1.00 0.00 C ATOM 0 H THR A 14 9.032 -14.583 -1.087 1.00 0.00 H new ATOM 0 HA THR A 14 8.456 -11.721 -1.060 1.00 0.00 H new ATOM 0 HB THR A 14 7.322 -11.889 1.154 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.461 -14.139 1.509 1.00 0.00 H new ATOM 0 HG21 THR A 14 5.104 -12.587 0.329 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.937 -11.603 -0.898 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.860 -13.372 -1.077 1.00 0.00 H new ATOM 160 N LEU A 15 10.085 -11.473 0.873 1.00 0.00 N ATOM 161 CA LEU A 15 11.308 -11.303 1.639 1.00 0.00 C ATOM 162 C LEU A 15 10.971 -11.278 3.131 1.00 0.00 C ATOM 163 O LEU A 15 9.809 -11.417 3.511 1.00 0.00 O ATOM 164 CB LEU A 15 12.072 -10.067 1.160 1.00 0.00 C ATOM 165 CG LEU A 15 12.451 -10.044 -0.322 1.00 0.00 C ATOM 166 CD1 LEU A 15 12.206 -8.661 -0.929 1.00 0.00 C ATOM 167 CD2 LEU A 15 13.893 -10.513 -0.527 1.00 0.00 C ATOM 0 H LEU A 15 9.484 -10.649 0.841 1.00 0.00 H new ATOM 0 HA LEU A 15 11.979 -12.147 1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.467 -9.186 1.373 1.00 0.00 H new ATOM 0 HB3 LEU A 15 12.985 -9.978 1.749 1.00 0.00 H new ATOM 0 HG LEU A 15 11.806 -10.746 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 15 12.484 -8.672 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.151 -8.404 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.809 -7.921 -0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.137 -10.487 -1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 15 14.570 -9.855 0.017 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.001 -11.532 -0.155 1.00 0.00 H new ATOM 179 N GLN A 16 12.008 -11.101 3.936 1.00 0.00 N ATOM 180 CA GLN A 16 11.836 -11.056 5.378 1.00 0.00 C ATOM 181 C GLN A 16 11.545 -9.625 5.834 1.00 0.00 C ATOM 182 O GLN A 16 11.128 -9.405 6.970 1.00 0.00 O ATOM 183 CB GLN A 16 13.065 -11.621 6.094 1.00 0.00 C ATOM 184 CG GLN A 16 13.121 -11.142 7.546 1.00 0.00 C ATOM 185 CD GLN A 16 11.858 -11.549 8.307 1.00 0.00 C ATOM 186 OE1 GLN A 16 10.906 -12.068 7.749 1.00 0.00 O ATOM 187 NE2 GLN A 16 11.903 -11.286 9.610 1.00 0.00 N ATOM 0 H GLN A 16 12.970 -10.987 3.617 1.00 0.00 H new ATOM 0 HA GLN A 16 10.983 -11.681 5.642 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.037 -12.710 6.067 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.970 -11.312 5.570 1.00 0.00 H new ATOM 0 HG2 GLN A 16 13.998 -11.563 8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.231 -10.058 7.571 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.732 -10.850 10.014 1.00 0.00 H new ATOM 0 HE22 GLN A 16 11.109 -11.521 10.205 1.00 0.00 H new ATOM 196 N GLY A 17 11.776 -8.690 4.925 1.00 0.00 N ATOM 197 CA GLY A 17 11.543 -7.286 5.219 1.00 0.00 C ATOM 198 C GLY A 17 12.547 -6.398 4.482 1.00 0.00 C ATOM 199 O GLY A 17 12.211 -5.291 4.062 1.00 0.00 O ATOM 0 H GLY A 17 12.122 -8.877 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.529 -7.013 4.928 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.623 -7.117 6.293 1.00 0.00 H new ATOM 203 N ILE A 18 13.760 -6.915 4.348 1.00 0.00 N ATOM 204 CA ILE A 18 14.815 -6.182 3.669 1.00 0.00 C ATOM 205 C ILE A 18 14.992 -4.817 4.335 1.00 0.00 C ATOM 206 O ILE A 18 14.127 -4.373 5.089 1.00 0.00 O ATOM 207 CB ILE A 18 14.531 -6.102 2.167 1.00 0.00 C ATOM 208 CG1 ILE A 18 14.711 -7.468 1.501 1.00 0.00 C ATOM 209 CG2 ILE A 18 15.389 -5.023 1.504 1.00 0.00 C ATOM 210 CD1 ILE A 18 16.104 -8.035 1.781 1.00 0.00 C ATOM 0 H ILE A 18 14.035 -7.833 4.698 1.00 0.00 H new ATOM 0 HA ILE A 18 15.765 -6.708 3.763 1.00 0.00 H new ATOM 0 HB ILE A 18 13.489 -5.813 2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 18 13.953 -8.159 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 18 14.562 -7.375 0.425 1.00 0.00 H new ATOM 0 HG21 ILE A 18 15.168 -4.987 0.437 1.00 0.00 H new ATOM 0 HG22 ILE A 18 15.168 -4.055 1.954 1.00 0.00 H new ATOM 0 HG23 ILE A 18 16.444 -5.257 1.648 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.206 -9.006 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.860 -7.354 1.390 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.241 -8.150 2.856 1.00 0.00 H new ATOM 222 N HIS A 19 16.118 -4.188 4.033 1.00 0.00 N ATOM 223 CA HIS A 19 16.420 -2.882 4.593 1.00 0.00 C ATOM 224 C HIS A 19 15.401 -1.858 4.087 1.00 0.00 C ATOM 225 O HIS A 19 15.036 -1.870 2.912 1.00 0.00 O ATOM 226 CB HIS A 19 17.865 -2.480 4.289 1.00 0.00 C ATOM 227 CG HIS A 19 18.604 -1.904 5.473 1.00 0.00 C ATOM 228 ND1 HIS A 19 19.844 -2.365 5.879 1.00 0.00 N ATOM 229 CD2 HIS A 19 18.266 -0.900 6.332 1.00 0.00 C ATOM 230 CE1 HIS A 19 20.225 -1.664 6.937 1.00 0.00 C ATOM 231 NE2 HIS A 19 19.245 -0.757 7.216 1.00 0.00 N ATOM 0 H HIS A 19 16.833 -4.559 3.407 1.00 0.00 H new ATOM 0 HA HIS A 19 16.336 -2.921 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 19 18.406 -3.354 3.926 1.00 0.00 H new ATOM 0 HB3 HIS A 19 17.865 -1.747 3.482 1.00 0.00 H new ATOM 0 HD2 HIS A 19 17.356 -0.320 6.298 1.00 0.00 H new ATOM 0 HE1 HIS A 19 21.149 -1.789 7.482 1.00 0.00 H new ATOM 0 HE2 HIS A 19 19.262 -0.080 7.979 1.00 0.00 H new ATOM 239 N LEU A 20 14.971 -0.998 4.998 1.00 0.00 N ATOM 240 CA LEU A 20 14.002 0.030 4.659 1.00 0.00 C ATOM 241 C LEU A 20 14.733 1.241 4.077 1.00 0.00 C ATOM 242 O LEU A 20 14.127 2.289 3.856 1.00 0.00 O ATOM 243 CB LEU A 20 13.128 0.362 5.869 1.00 0.00 C ATOM 244 CG LEU A 20 12.011 1.380 5.631 1.00 0.00 C ATOM 245 CD1 LEU A 20 11.062 0.905 4.528 1.00 0.00 C ATOM 246 CD2 LEU A 20 11.267 1.694 6.931 1.00 0.00 C ATOM 0 H LEU A 20 15.276 -0.992 5.971 1.00 0.00 H new ATOM 0 HA LEU A 20 13.318 -0.329 3.890 1.00 0.00 H new ATOM 0 HB2 LEU A 20 12.679 -0.562 6.232 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.771 0.738 6.665 1.00 0.00 H new ATOM 0 HG LEU A 20 12.465 2.310 5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.277 1.647 4.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.619 0.774 3.600 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.613 -0.045 4.818 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.479 2.420 6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 20 10.827 0.779 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.965 2.106 7.659 1.00 0.00 H new ATOM 258 N LYS A 21 16.024 1.058 3.845 1.00 0.00 N ATOM 259 CA LYS A 21 16.844 2.123 3.293 1.00 0.00 C ATOM 260 C LYS A 21 16.760 2.086 1.766 1.00 0.00 C ATOM 261 O LYS A 21 17.087 3.066 1.098 1.00 0.00 O ATOM 262 CB LYS A 21 18.273 2.034 3.832 1.00 0.00 C ATOM 263 CG LYS A 21 18.330 2.444 5.305 1.00 0.00 C ATOM 264 CD LYS A 21 18.846 3.877 5.455 1.00 0.00 C ATOM 265 CE LYS A 21 18.163 4.585 6.627 1.00 0.00 C ATOM 266 NZ LYS A 21 16.753 4.891 6.297 1.00 0.00 N ATOM 0 H LYS A 21 16.523 0.188 4.029 1.00 0.00 H new ATOM 0 HA LYS A 21 16.468 3.096 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.645 1.016 3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 21 18.927 2.679 3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 21 17.337 2.363 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 21 18.980 1.760 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.925 3.865 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 21 18.664 4.431 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 21 18.206 3.955 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 21 18.696 5.506 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.415 5.667 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 16.684 5.175 5.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.168 4.047 6.458 1.00 0.00 H new ATOM 280 N ASN A 22 16.318 0.945 1.256 1.00 0.00 N ATOM 281 CA ASN A 22 16.187 0.768 -0.180 1.00 0.00 C ATOM 282 C ASN A 22 14.725 0.975 -0.583 1.00 0.00 C ATOM 283 O ASN A 22 14.440 1.646 -1.574 1.00 0.00 O ATOM 284 CB ASN A 22 16.597 -0.645 -0.600 1.00 0.00 C ATOM 285 CG ASN A 22 17.976 -0.641 -1.262 1.00 0.00 C ATOM 286 OD1 ASN A 22 18.248 0.110 -2.185 1.00 0.00 O ATOM 287 ND2 ASN A 22 18.829 -1.519 -0.742 1.00 0.00 N ATOM 0 H ASN A 22 16.046 0.134 1.812 1.00 0.00 H new ATOM 0 HA ASN A 22 16.837 1.493 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 22 16.610 -1.298 0.272 1.00 0.00 H new ATOM 0 HB3 ASN A 22 15.859 -1.051 -1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 22 19.775 -1.593 -1.115 1.00 0.00 H new ATOM 0 HD22 ASN A 22 18.537 -2.118 0.030 1.00 0.00 H new ATOM 294 N ILE A 23 13.838 0.388 0.206 1.00 0.00 N ATOM 295 CA ILE A 23 12.413 0.500 -0.056 1.00 0.00 C ATOM 296 C ILE A 23 12.046 1.974 -0.233 1.00 0.00 C ATOM 297 O ILE A 23 12.376 2.806 0.611 1.00 0.00 O ATOM 298 CB ILE A 23 11.610 -0.207 1.037 1.00 0.00 C ATOM 299 CG1 ILE A 23 11.477 -1.702 0.740 1.00 0.00 C ATOM 300 CG2 ILE A 23 10.248 0.461 1.236 1.00 0.00 C ATOM 301 CD1 ILE A 23 11.735 -2.536 1.997 1.00 0.00 C ATOM 0 H ILE A 23 14.078 -0.167 1.027 1.00 0.00 H new ATOM 0 HA ILE A 23 12.156 -0.007 -0.986 1.00 0.00 H new ATOM 0 HB ILE A 23 12.155 -0.113 1.976 1.00 0.00 H new ATOM 0 HG12 ILE A 23 10.478 -1.913 0.358 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.183 -1.986 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.697 -0.061 2.019 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.392 1.502 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.683 0.419 0.305 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.634 -3.595 1.758 1.00 0.00 H new ATOM 0 HD12 ILE A 23 12.743 -2.341 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 23 11.012 -2.267 2.767 1.00 0.00 H new ATOM 313 N GLN A 24 11.367 2.254 -1.336 1.00 0.00 N ATOM 314 CA GLN A 24 10.951 3.614 -1.634 1.00 0.00 C ATOM 315 C GLN A 24 9.426 3.723 -1.595 1.00 0.00 C ATOM 316 O GLN A 24 8.882 4.813 -1.421 1.00 0.00 O ATOM 317 CB GLN A 24 11.499 4.070 -2.988 1.00 0.00 C ATOM 318 CG GLN A 24 11.986 5.519 -2.922 1.00 0.00 C ATOM 319 CD GLN A 24 10.816 6.482 -2.713 1.00 0.00 C ATOM 320 OE1 GLN A 24 10.734 7.196 -1.727 1.00 0.00 O ATOM 321 NE2 GLN A 24 9.917 6.462 -3.694 1.00 0.00 N ATOM 0 H GLN A 24 11.095 1.562 -2.034 1.00 0.00 H new ATOM 0 HA GLN A 24 11.362 4.275 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.320 3.420 -3.290 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.723 3.977 -3.748 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.702 5.629 -2.108 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.510 5.773 -3.843 1.00 0.00 H new ATOM 0 HE21 GLN A 24 10.047 5.840 -4.492 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.098 7.069 -3.648 1.00 0.00 H new ATOM 330 N SER A 25 8.778 2.579 -1.761 1.00 0.00 N ATOM 331 CA SER A 25 7.326 2.533 -1.746 1.00 0.00 C ATOM 332 C SER A 25 6.851 1.153 -1.285 1.00 0.00 C ATOM 333 O SER A 25 7.611 0.187 -1.323 1.00 0.00 O ATOM 334 CB SER A 25 6.751 2.859 -3.126 1.00 0.00 C ATOM 335 OG SER A 25 7.749 3.343 -4.020 1.00 0.00 O ATOM 0 H SER A 25 9.232 1.677 -1.907 1.00 0.00 H new ATOM 0 HA SER A 25 6.967 3.287 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.290 1.965 -3.547 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.964 3.606 -3.023 1.00 0.00 H new ATOM 0 HG SER A 25 7.342 3.538 -4.890 1.00 0.00 H new ATOM 341 N VAL A 26 5.597 1.106 -0.861 1.00 0.00 N ATOM 342 CA VAL A 26 5.011 -0.139 -0.394 1.00 0.00 C ATOM 343 C VAL A 26 3.672 -0.364 -1.098 1.00 0.00 C ATOM 344 O VAL A 26 2.922 0.583 -1.330 1.00 0.00 O ATOM 345 CB VAL A 26 4.889 -0.120 1.131 1.00 0.00 C ATOM 346 CG1 VAL A 26 4.097 -1.328 1.633 1.00 0.00 C ATOM 347 CG2 VAL A 26 6.268 -0.056 1.791 1.00 0.00 C ATOM 0 H VAL A 26 4.970 1.910 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 26 5.655 -0.982 -0.645 1.00 0.00 H new ATOM 0 HB VAL A 26 4.341 0.780 1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.025 -1.290 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.096 -1.311 1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.605 -2.245 1.335 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.152 -0.044 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.852 -0.928 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.783 0.850 1.471 1.00 0.00 H new ATOM 357 N LYS A 27 3.412 -1.623 -1.417 1.00 0.00 N ATOM 358 CA LYS A 27 2.176 -1.985 -2.090 1.00 0.00 C ATOM 359 C LYS A 27 1.616 -3.265 -1.467 1.00 0.00 C ATOM 360 O LYS A 27 2.311 -4.277 -1.389 1.00 0.00 O ATOM 361 CB LYS A 27 2.397 -2.082 -3.601 1.00 0.00 C ATOM 362 CG LYS A 27 1.087 -1.863 -4.362 1.00 0.00 C ATOM 363 CD LYS A 27 0.235 -3.134 -4.362 1.00 0.00 C ATOM 364 CE LYS A 27 0.122 -3.718 -5.771 1.00 0.00 C ATOM 365 NZ LYS A 27 -0.712 -2.847 -6.629 1.00 0.00 N ATOM 0 H LYS A 27 4.036 -2.406 -1.222 1.00 0.00 H new ATOM 0 HA LYS A 27 1.425 -1.208 -1.950 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.132 -1.340 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.807 -3.061 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.529 -1.046 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.303 -1.566 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.677 -3.872 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.760 -2.909 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.115 -3.824 -6.207 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.314 -4.716 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.905 -3.329 -7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.610 -2.642 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.208 -1.956 -6.814 1.00 0.00 H new ATOM 379 N VAL A 28 0.365 -3.179 -1.038 1.00 0.00 N ATOM 380 CA VAL A 28 -0.296 -4.318 -0.424 1.00 0.00 C ATOM 381 C VAL A 28 -1.451 -4.774 -1.317 1.00 0.00 C ATOM 382 O VAL A 28 -2.463 -4.083 -1.430 1.00 0.00 O ATOM 383 CB VAL A 28 -0.742 -3.961 0.995 1.00 0.00 C ATOM 384 CG1 VAL A 28 -1.549 -5.102 1.619 1.00 0.00 C ATOM 385 CG2 VAL A 28 0.458 -3.596 1.871 1.00 0.00 C ATOM 0 H VAL A 28 -0.208 -2.338 -1.104 1.00 0.00 H new ATOM 0 HA VAL A 28 0.394 -5.157 -0.332 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.390 -3.087 0.933 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.854 -4.823 2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.434 -5.296 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.935 -6.001 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.113 -3.346 2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.142 -4.443 1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.975 -2.738 1.441 1.00 0.00 H new ATOM 395 N LYS A 29 -1.262 -5.934 -1.929 1.00 0.00 N ATOM 396 CA LYS A 29 -2.276 -6.490 -2.808 1.00 0.00 C ATOM 397 C LYS A 29 -3.046 -7.584 -2.065 1.00 0.00 C ATOM 398 O LYS A 29 -2.682 -8.757 -2.130 1.00 0.00 O ATOM 399 CB LYS A 29 -1.647 -6.964 -4.120 1.00 0.00 C ATOM 400 CG LYS A 29 -2.627 -7.824 -4.919 1.00 0.00 C ATOM 401 CD LYS A 29 -3.613 -6.951 -5.699 1.00 0.00 C ATOM 402 CE LYS A 29 -3.063 -6.606 -7.084 1.00 0.00 C ATOM 403 NZ LYS A 29 -2.566 -5.213 -7.113 1.00 0.00 N ATOM 0 H LYS A 29 -0.421 -6.504 -1.833 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.999 -5.724 -3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.346 -6.102 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.744 -7.537 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.076 -8.463 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.174 -8.482 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.564 -7.473 -5.801 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.811 -6.034 -5.144 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.256 -7.292 -7.342 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.843 -6.735 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.685 -5.170 -7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.280 -4.599 -7.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -2.383 -4.889 -6.142 1.00 0.00 H new ATOM 417 N SER A 30 -4.094 -7.160 -1.375 1.00 0.00 N ATOM 418 CA SER A 30 -4.918 -8.089 -0.619 1.00 0.00 C ATOM 419 C SER A 30 -5.466 -9.175 -1.547 1.00 0.00 C ATOM 420 O SER A 30 -5.356 -9.069 -2.767 1.00 0.00 O ATOM 421 CB SER A 30 -6.066 -7.361 0.083 1.00 0.00 C ATOM 422 OG SER A 30 -7.283 -7.448 -0.654 1.00 0.00 O ATOM 0 H SER A 30 -4.392 -6.186 -1.323 1.00 0.00 H new ATOM 0 HA SER A 30 -4.297 -8.554 0.147 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.212 -7.787 1.076 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.800 -6.313 0.221 1.00 0.00 H new ATOM 0 HG SER A 30 -7.992 -6.972 -0.173 1.00 0.00 H new ATOM 428 N PRO A 31 -6.060 -10.223 -0.916 1.00 0.00 N ATOM 429 CA PRO A 31 -6.626 -11.328 -1.671 1.00 0.00 C ATOM 430 C PRO A 31 -7.950 -10.926 -2.323 1.00 0.00 C ATOM 431 O PRO A 31 -8.610 -9.992 -1.871 1.00 0.00 O ATOM 432 CB PRO A 31 -6.779 -12.456 -0.663 1.00 0.00 C ATOM 433 CG PRO A 31 -6.731 -11.800 0.707 1.00 0.00 C ATOM 434 CD PRO A 31 -6.209 -10.384 0.528 1.00 0.00 C ATOM 0 HA PRO A 31 -5.992 -11.637 -2.502 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.720 -12.986 -0.810 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.980 -13.189 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -7.723 -11.787 1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -6.083 -12.364 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.904 -9.651 0.938 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.258 -10.245 1.042 1.00 0.00 H new ATOM 442 N GLY A 32 -8.299 -11.651 -3.376 1.00 0.00 N ATOM 443 CA GLY A 32 -9.532 -11.381 -4.095 1.00 0.00 C ATOM 444 C GLY A 32 -10.243 -12.682 -4.472 1.00 0.00 C ATOM 445 O GLY A 32 -10.005 -13.723 -3.861 1.00 0.00 O ATOM 0 H GLY A 32 -7.749 -12.425 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.190 -10.768 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.314 -10.807 -4.996 1.00 0.00 H new ATOM 449 N PRO A 33 -11.125 -12.578 -5.502 1.00 0.00 N ATOM 450 CA PRO A 33 -11.872 -13.734 -5.967 1.00 0.00 C ATOM 451 C PRO A 33 -10.979 -14.674 -6.781 1.00 0.00 C ATOM 452 O PRO A 33 -11.440 -15.703 -7.272 1.00 0.00 O ATOM 453 CB PRO A 33 -13.023 -13.159 -6.777 1.00 0.00 C ATOM 454 CG PRO A 33 -12.617 -11.736 -7.124 1.00 0.00 C ATOM 455 CD PRO A 33 -11.432 -11.362 -6.249 1.00 0.00 C ATOM 0 HA PRO A 33 -12.246 -14.349 -5.149 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -13.198 -13.746 -7.678 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -13.950 -13.172 -6.203 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -12.351 -11.661 -8.178 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -13.447 -11.050 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -10.581 -11.041 -6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -11.678 -10.538 -5.580 1.00 0.00 H new ATOM 463 N HIS A 34 -9.718 -14.285 -6.897 1.00 0.00 N ATOM 464 CA HIS A 34 -8.756 -15.080 -7.642 1.00 0.00 C ATOM 465 C HIS A 34 -7.734 -15.685 -6.679 1.00 0.00 C ATOM 466 O HIS A 34 -7.524 -16.897 -6.670 1.00 0.00 O ATOM 467 CB HIS A 34 -8.107 -14.248 -8.751 1.00 0.00 C ATOM 468 CG HIS A 34 -8.003 -12.776 -8.432 1.00 0.00 C ATOM 469 ND1 HIS A 34 -9.110 -11.954 -8.316 1.00 0.00 N ATOM 470 CD2 HIS A 34 -6.912 -11.988 -8.206 1.00 0.00 C ATOM 471 CE1 HIS A 34 -8.693 -10.728 -8.034 1.00 0.00 C ATOM 472 NE2 HIS A 34 -7.331 -10.752 -7.967 1.00 0.00 N ATOM 0 H HIS A 34 -9.340 -13.430 -6.488 1.00 0.00 H new ATOM 0 HA HIS A 34 -9.267 -15.905 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.108 -14.638 -8.947 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.683 -14.371 -9.668 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.883 -12.315 -8.219 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.321 -9.862 -7.884 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.732 -9.951 -7.766 1.00 0.00 H new ATOM 480 N CYS A 35 -7.124 -14.812 -5.890 1.00 0.00 N ATOM 481 CA CYS A 35 -6.128 -15.245 -4.924 1.00 0.00 C ATOM 482 C CYS A 35 -6.657 -14.944 -3.521 1.00 0.00 C ATOM 483 O CYS A 35 -7.042 -13.813 -3.228 1.00 0.00 O ATOM 484 CB CYS A 35 -4.771 -14.585 -5.177 1.00 0.00 C ATOM 485 SG CYS A 35 -3.425 -15.743 -5.622 1.00 0.00 S ATOM 0 H CYS A 35 -7.300 -13.807 -5.900 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.961 -16.317 -5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.882 -13.854 -5.978 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.478 -14.036 -4.282 1.00 0.00 H new ATOM 490 N ALA A 36 -6.658 -15.975 -2.689 1.00 0.00 N ATOM 491 CA ALA A 36 -7.133 -15.835 -1.323 1.00 0.00 C ATOM 492 C ALA A 36 -5.938 -15.623 -0.391 1.00 0.00 C ATOM 493 O ALA A 36 -6.020 -15.906 0.803 1.00 0.00 O ATOM 494 CB ALA A 36 -7.960 -17.064 -0.941 1.00 0.00 C ATOM 0 H ALA A 36 -6.337 -16.912 -2.935 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.782 -14.964 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.316 -16.959 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.813 -17.152 -1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.341 -17.958 -1.020 1.00 0.00 H new ATOM 500 N GLN A 37 -4.855 -15.128 -0.973 1.00 0.00 N ATOM 501 CA GLN A 37 -3.645 -14.875 -0.209 1.00 0.00 C ATOM 502 C GLN A 37 -3.166 -13.440 -0.434 1.00 0.00 C ATOM 503 O GLN A 37 -3.450 -12.842 -1.471 1.00 0.00 O ATOM 504 CB GLN A 37 -2.550 -15.881 -0.568 1.00 0.00 C ATOM 505 CG GLN A 37 -3.130 -17.288 -0.733 1.00 0.00 C ATOM 506 CD GLN A 37 -3.373 -17.943 0.628 1.00 0.00 C ATOM 507 OE1 GLN A 37 -2.550 -17.889 1.528 1.00 0.00 O ATOM 508 NE2 GLN A 37 -4.544 -18.564 0.729 1.00 0.00 N ATOM 0 H GLN A 37 -4.790 -14.896 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.874 -14.999 0.849 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.059 -15.575 -1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.787 -15.887 0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.066 -17.237 -1.288 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.445 -17.901 -1.319 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.187 -18.571 -0.063 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.799 -19.033 1.598 1.00 0.00 H new ATOM 517 N THR A 38 -2.447 -12.928 0.554 1.00 0.00 N ATOM 518 CA THR A 38 -1.926 -11.574 0.477 1.00 0.00 C ATOM 519 C THR A 38 -0.583 -11.560 -0.257 1.00 0.00 C ATOM 520 O THR A 38 0.036 -12.606 -0.444 1.00 0.00 O ATOM 521 CB THR A 38 -1.846 -11.016 1.899 1.00 0.00 C ATOM 522 OG1 THR A 38 -3.173 -11.151 2.400 1.00 0.00 O ATOM 523 CG2 THR A 38 -1.590 -9.508 1.924 1.00 0.00 C ATOM 0 H THR A 38 -2.213 -13.427 1.412 1.00 0.00 H new ATOM 0 HA THR A 38 -2.586 -10.929 -0.104 1.00 0.00 H new ATOM 0 HB THR A 38 -1.053 -11.527 2.445 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.211 -10.814 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.542 -9.164 2.957 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.645 -9.291 1.425 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.400 -8.993 1.407 1.00 0.00 H new ATOM 531 N GLU A 39 -0.174 -10.364 -0.653 1.00 0.00 N ATOM 532 CA GLU A 39 1.084 -10.201 -1.362 1.00 0.00 C ATOM 533 C GLU A 39 1.567 -8.753 -1.259 1.00 0.00 C ATOM 534 O GLU A 39 1.023 -7.864 -1.913 1.00 0.00 O ATOM 535 CB GLU A 39 0.948 -10.630 -2.824 1.00 0.00 C ATOM 536 CG GLU A 39 -0.449 -10.314 -3.362 1.00 0.00 C ATOM 537 CD GLU A 39 -1.458 -11.377 -2.926 1.00 0.00 C ATOM 538 OE1 GLU A 39 -1.005 -12.507 -2.642 1.00 0.00 O ATOM 539 OE2 GLU A 39 -2.660 -11.036 -2.886 1.00 0.00 O ATOM 0 H GLU A 39 -0.691 -9.499 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 39 1.828 -10.846 -0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.698 -10.119 -3.428 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.142 -11.699 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.768 -9.336 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.420 -10.260 -4.450 1.00 0.00 H new ATOM 546 N VAL A 40 2.584 -8.559 -0.432 1.00 0.00 N ATOM 547 CA VAL A 40 3.147 -7.234 -0.235 1.00 0.00 C ATOM 548 C VAL A 40 4.242 -6.990 -1.275 1.00 0.00 C ATOM 549 O VAL A 40 5.174 -7.783 -1.398 1.00 0.00 O ATOM 550 CB VAL A 40 3.645 -7.086 1.204 1.00 0.00 C ATOM 551 CG1 VAL A 40 4.265 -5.706 1.430 1.00 0.00 C ATOM 552 CG2 VAL A 40 2.519 -7.353 2.204 1.00 0.00 C ATOM 0 H VAL A 40 3.033 -9.298 0.110 1.00 0.00 H new ATOM 0 HA VAL A 40 2.384 -6.469 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 40 4.422 -7.833 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.611 -5.627 2.461 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.108 -5.571 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.518 -4.936 1.238 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.900 -7.241 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.710 -6.641 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.144 -8.367 2.067 1.00 0.00 H new ATOM 562 N ILE A 41 4.093 -5.889 -1.997 1.00 0.00 N ATOM 563 CA ILE A 41 5.058 -5.531 -3.023 1.00 0.00 C ATOM 564 C ILE A 41 5.552 -4.104 -2.776 1.00 0.00 C ATOM 565 O ILE A 41 4.795 -3.146 -2.928 1.00 0.00 O ATOM 566 CB ILE A 41 4.462 -5.742 -4.416 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.720 -7.078 -4.498 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.538 -5.617 -5.497 1.00 0.00 C ATOM 569 CD1 ILE A 41 2.216 -6.859 -4.670 1.00 0.00 C ATOM 0 H ILE A 41 3.319 -5.233 -1.892 1.00 0.00 H new ATOM 0 HA ILE A 41 5.929 -6.184 -2.972 1.00 0.00 H new ATOM 0 HB ILE A 41 3.730 -4.955 -4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.104 -7.661 -5.335 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.906 -7.658 -3.594 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.088 -5.771 -6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.983 -4.623 -5.454 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.310 -6.368 -5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.712 -7.824 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.831 -6.297 -3.820 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.032 -6.300 -5.588 1.00 0.00 H new ATOM 581 N ALA A 42 6.818 -4.007 -2.398 1.00 0.00 N ATOM 582 CA ALA A 42 7.422 -2.713 -2.128 1.00 0.00 C ATOM 583 C ALA A 42 8.340 -2.331 -3.291 1.00 0.00 C ATOM 584 O ALA A 42 9.059 -3.176 -3.823 1.00 0.00 O ATOM 585 CB ALA A 42 8.165 -2.766 -0.792 1.00 0.00 C ATOM 0 H ALA A 42 7.443 -4.804 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 42 6.656 -1.941 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.618 -1.796 -0.589 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.463 -3.013 0.005 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.944 -3.527 -0.839 1.00 0.00 H new ATOM 591 N THR A 43 8.285 -1.058 -3.652 1.00 0.00 N ATOM 592 CA THR A 43 9.103 -0.553 -4.742 1.00 0.00 C ATOM 593 C THR A 43 10.463 -0.088 -4.218 1.00 0.00 C ATOM 594 O THR A 43 10.534 0.656 -3.242 1.00 0.00 O ATOM 595 CB THR A 43 8.316 0.550 -5.452 1.00 0.00 C ATOM 596 OG1 THR A 43 7.294 -0.151 -6.157 1.00 0.00 O ATOM 597 CG2 THR A 43 9.128 1.232 -6.555 1.00 0.00 C ATOM 0 H THR A 43 7.687 -0.361 -3.209 1.00 0.00 H new ATOM 0 HA THR A 43 9.321 -1.336 -5.468 1.00 0.00 H new ATOM 0 HB THR A 43 7.997 1.295 -4.723 1.00 0.00 H new ATOM 0 HG1 THR A 43 6.735 0.489 -6.645 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.523 2.006 -7.026 1.00 0.00 H new ATOM 0 HG22 THR A 43 10.022 1.683 -6.123 1.00 0.00 H new ATOM 0 HG23 THR A 43 9.419 0.494 -7.302 1.00 0.00 H new ATOM 605 N LEU A 44 11.509 -0.546 -4.891 1.00 0.00 N ATOM 606 CA LEU A 44 12.862 -0.187 -4.505 1.00 0.00 C ATOM 607 C LEU A 44 13.163 1.236 -4.982 1.00 0.00 C ATOM 608 O LEU A 44 12.622 1.683 -5.992 1.00 0.00 O ATOM 609 CB LEU A 44 13.860 -1.229 -5.014 1.00 0.00 C ATOM 610 CG LEU A 44 14.871 -1.746 -3.989 1.00 0.00 C ATOM 611 CD1 LEU A 44 15.492 -3.067 -4.449 1.00 0.00 C ATOM 612 CD2 LEU A 44 15.934 -0.688 -3.687 1.00 0.00 C ATOM 0 H LEU A 44 11.446 -1.163 -5.701 1.00 0.00 H new ATOM 0 HA LEU A 44 12.961 -0.189 -3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 44 13.300 -2.079 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.409 -0.798 -5.851 1.00 0.00 H new ATOM 0 HG LEU A 44 14.341 -1.946 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 44 16.207 -3.412 -3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.708 -3.814 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU A 44 16.004 -2.917 -5.399 1.00 0.00 H new ATOM 0 HD21 LEU A 44 16.640 -1.080 -2.956 1.00 0.00 H new ATOM 0 HD22 LEU A 44 16.465 -0.434 -4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.455 0.205 -3.286 1.00 0.00 H new ATOM 624 N LYS A 45 14.025 1.907 -4.233 1.00 0.00 N ATOM 625 CA LYS A 45 14.404 3.270 -4.566 1.00 0.00 C ATOM 626 C LYS A 45 15.362 3.250 -5.759 1.00 0.00 C ATOM 627 O LYS A 45 15.749 4.302 -6.266 1.00 0.00 O ATOM 628 CB LYS A 45 14.968 3.985 -3.337 1.00 0.00 C ATOM 629 CG LYS A 45 15.920 5.111 -3.746 1.00 0.00 C ATOM 630 CD LYS A 45 15.185 6.188 -4.546 1.00 0.00 C ATOM 631 CE LYS A 45 14.985 7.452 -3.709 1.00 0.00 C ATOM 632 NZ LYS A 45 13.852 8.247 -4.233 1.00 0.00 N ATOM 0 H LYS A 45 14.472 1.532 -3.396 1.00 0.00 H new ATOM 0 HA LYS A 45 13.529 3.846 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 45 14.151 4.393 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.495 3.270 -2.706 1.00 0.00 H new ATOM 0 HG2 LYS A 45 16.367 5.555 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 45 16.736 4.703 -4.343 1.00 0.00 H new ATOM 0 HD2 LYS A 45 15.752 6.429 -5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 45 14.217 5.807 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.797 7.181 -2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 45 15.895 8.052 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.985 9.248 -3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.810 8.152 -5.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 12.964 7.901 -3.817 1.00 0.00 H new ATOM 646 N ASN A 46 15.716 2.043 -6.174 1.00 0.00 N ATOM 647 CA ASN A 46 16.621 1.873 -7.298 1.00 0.00 C ATOM 648 C ASN A 46 15.807 1.611 -8.567 1.00 0.00 C ATOM 649 O ASN A 46 16.353 1.612 -9.669 1.00 0.00 O ATOM 650 CB ASN A 46 17.553 0.679 -7.079 1.00 0.00 C ATOM 651 CG ASN A 46 17.755 -0.104 -8.378 1.00 0.00 C ATOM 652 OD1 ASN A 46 18.322 0.381 -9.343 1.00 0.00 O ATOM 653 ND2 ASN A 46 17.261 -1.338 -8.347 1.00 0.00 N ATOM 0 H ASN A 46 15.392 1.173 -5.752 1.00 0.00 H new ATOM 0 HA ASN A 46 17.215 2.782 -7.393 1.00 0.00 H new ATOM 0 HB2 ASN A 46 18.516 1.028 -6.707 1.00 0.00 H new ATOM 0 HB3 ASN A 46 17.136 0.022 -6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.345 -1.942 -9.165 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.798 -1.681 -7.505 1.00 0.00 H new ATOM 660 N GLY A 47 14.515 1.393 -8.369 1.00 0.00 N ATOM 661 CA GLY A 47 13.621 1.130 -9.483 1.00 0.00 C ATOM 662 C GLY A 47 13.179 -0.335 -9.498 1.00 0.00 C ATOM 663 O GLY A 47 12.387 -0.739 -10.348 1.00 0.00 O ATOM 0 H GLY A 47 14.066 1.393 -7.453 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.746 1.777 -9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.122 1.372 -10.421 1.00 0.00 H new ATOM 667 N GLN A 48 13.709 -1.089 -8.547 1.00 0.00 N ATOM 668 CA GLN A 48 13.379 -2.500 -8.439 1.00 0.00 C ATOM 669 C GLN A 48 12.186 -2.696 -7.501 1.00 0.00 C ATOM 670 O GLN A 48 11.557 -1.727 -7.080 1.00 0.00 O ATOM 671 CB GLN A 48 14.587 -3.312 -7.967 1.00 0.00 C ATOM 672 CG GLN A 48 15.454 -3.744 -9.152 1.00 0.00 C ATOM 673 CD GLN A 48 16.718 -4.461 -8.673 1.00 0.00 C ATOM 674 OE1 GLN A 48 17.216 -4.235 -7.583 1.00 0.00 O ATOM 675 NE2 GLN A 48 17.206 -5.337 -9.547 1.00 0.00 N ATOM 0 H GLN A 48 14.365 -0.750 -7.844 1.00 0.00 H new ATOM 0 HA GLN A 48 13.102 -2.865 -9.428 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.182 -2.717 -7.274 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.247 -4.192 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.882 -4.404 -9.804 1.00 0.00 H new ATOM 0 HG3 GLN A 48 15.729 -2.871 -9.744 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.739 -5.478 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 48 18.047 -5.868 -9.321 1.00 0.00 H new ATOM 684 N LYS A 49 11.911 -3.957 -7.201 1.00 0.00 N ATOM 685 CA LYS A 49 10.805 -4.293 -6.321 1.00 0.00 C ATOM 686 C LYS A 49 11.207 -5.470 -5.431 1.00 0.00 C ATOM 687 O LYS A 49 11.931 -6.364 -5.866 1.00 0.00 O ATOM 688 CB LYS A 49 9.531 -4.541 -7.131 1.00 0.00 C ATOM 689 CG LYS A 49 9.215 -3.348 -8.036 1.00 0.00 C ATOM 690 CD LYS A 49 9.882 -3.505 -9.404 1.00 0.00 C ATOM 691 CE LYS A 49 10.002 -2.155 -10.114 1.00 0.00 C ATOM 692 NZ LYS A 49 10.752 -2.301 -11.381 1.00 0.00 N ATOM 0 H LYS A 49 12.435 -4.758 -7.552 1.00 0.00 H new ATOM 0 HA LYS A 49 10.576 -3.457 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 49 9.650 -5.440 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.695 -4.720 -6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.136 -3.258 -8.162 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.558 -2.428 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.872 -3.945 -9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.301 -4.193 -10.019 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.009 -1.754 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.508 -1.440 -9.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.546 -1.629 -11.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.119 -3.271 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.120 -2.106 -12.183 1.00 0.00 H new ATOM 706 N ALA A 50 10.719 -5.434 -4.199 1.00 0.00 N ATOM 707 CA ALA A 50 11.018 -6.487 -3.244 1.00 0.00 C ATOM 708 C ALA A 50 9.751 -6.831 -2.458 1.00 0.00 C ATOM 709 O ALA A 50 9.254 -6.012 -1.686 1.00 0.00 O ATOM 710 CB ALA A 50 12.165 -6.041 -2.335 1.00 0.00 C ATOM 0 H ALA A 50 10.118 -4.692 -3.841 1.00 0.00 H new ATOM 0 HA ALA A 50 11.343 -7.391 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.390 -6.831 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 50 13.049 -5.837 -2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.874 -5.137 -1.800 1.00 0.00 H new ATOM 716 N CYS A 51 9.265 -8.043 -2.681 1.00 0.00 N ATOM 717 CA CYS A 51 8.066 -8.505 -2.003 1.00 0.00 C ATOM 718 C CYS A 51 8.430 -8.834 -0.554 1.00 0.00 C ATOM 719 O CYS A 51 9.505 -9.369 -0.286 1.00 0.00 O ATOM 720 CB CYS A 51 7.438 -9.703 -2.719 1.00 0.00 C ATOM 721 SG CYS A 51 5.916 -9.321 -3.661 1.00 0.00 S ATOM 0 H CYS A 51 9.680 -8.719 -3.322 1.00 0.00 H new ATOM 0 HA CYS A 51 7.311 -7.719 -2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.174 -10.128 -3.402 1.00 0.00 H new ATOM 0 HB3 CYS A 51 7.208 -10.471 -1.980 1.00 0.00 H new ATOM 726 N LEU A 52 7.514 -8.499 0.343 1.00 0.00 N ATOM 727 CA LEU A 52 7.725 -8.751 1.758 1.00 0.00 C ATOM 728 C LEU A 52 6.755 -9.837 2.229 1.00 0.00 C ATOM 729 O LEU A 52 5.743 -10.093 1.579 1.00 0.00 O ATOM 730 CB LEU A 52 7.624 -7.449 2.556 1.00 0.00 C ATOM 731 CG LEU A 52 8.533 -6.308 2.095 1.00 0.00 C ATOM 732 CD1 LEU A 52 7.969 -4.952 2.521 1.00 0.00 C ATOM 733 CD2 LEU A 52 9.966 -6.514 2.589 1.00 0.00 C ATOM 0 H LEU A 52 6.624 -8.055 0.117 1.00 0.00 H new ATOM 0 HA LEU A 52 8.734 -9.126 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.591 -7.102 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.849 -7.667 3.600 1.00 0.00 H new ATOM 0 HG LEU A 52 8.565 -6.316 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.634 -4.158 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.982 -4.813 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.888 -4.917 3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.591 -5.689 2.247 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.974 -6.548 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.356 -7.452 2.194 1.00 0.00 H new ATOM 745 N ASN A 53 7.100 -10.447 3.354 1.00 0.00 N ATOM 746 CA ASN A 53 6.272 -11.499 3.918 1.00 0.00 C ATOM 747 C ASN A 53 5.267 -10.884 4.894 1.00 0.00 C ATOM 748 O ASN A 53 5.655 -10.298 5.903 1.00 0.00 O ATOM 749 CB ASN A 53 7.120 -12.512 4.690 1.00 0.00 C ATOM 750 CG ASN A 53 6.311 -13.769 5.016 1.00 0.00 C ATOM 751 OD1 ASN A 53 5.434 -14.184 4.276 1.00 0.00 O ATOM 752 ND2 ASN A 53 6.653 -14.350 6.163 1.00 0.00 N ATOM 0 H ASN A 53 7.941 -10.233 3.889 1.00 0.00 H new ATOM 0 HA ASN A 53 5.763 -12.004 3.097 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.996 -12.782 4.101 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.483 -12.059 5.613 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.171 -15.195 6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 53 7.397 -13.950 6.735 1.00 0.00 H new ATOM 759 N PRO A 54 3.961 -11.042 4.549 1.00 0.00 N ATOM 760 CA PRO A 54 2.897 -10.508 5.383 1.00 0.00 C ATOM 761 C PRO A 54 2.705 -11.361 6.638 1.00 0.00 C ATOM 762 O PRO A 54 1.841 -11.070 7.464 1.00 0.00 O ATOM 763 CB PRO A 54 1.669 -10.485 4.487 1.00 0.00 C ATOM 764 CG PRO A 54 1.974 -11.433 3.338 1.00 0.00 C ATOM 765 CD PRO A 54 3.464 -11.730 3.361 1.00 0.00 C ATOM 0 HA PRO A 54 3.118 -9.509 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.781 -10.805 5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.472 -9.478 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.400 -12.354 3.440 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.689 -10.984 2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.653 -12.802 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.954 -11.366 2.458 1.00 0.00 H new ATOM 773 N ALA A 55 3.524 -12.397 6.743 1.00 0.00 N ATOM 774 CA ALA A 55 3.455 -13.294 7.884 1.00 0.00 C ATOM 775 C ALA A 55 4.653 -13.038 8.801 1.00 0.00 C ATOM 776 O ALA A 55 5.007 -13.888 9.616 1.00 0.00 O ATOM 777 CB ALA A 55 3.396 -14.742 7.392 1.00 0.00 C ATOM 0 H ALA A 55 4.239 -12.635 6.056 1.00 0.00 H new ATOM 0 HA ALA A 55 2.551 -13.110 8.464 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.344 -15.415 8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.512 -14.879 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.289 -14.965 6.809 1.00 0.00 H new ATOM 783 N SER A 56 5.242 -11.863 8.638 1.00 0.00 N ATOM 784 CA SER A 56 6.392 -11.485 9.441 1.00 0.00 C ATOM 785 C SER A 56 6.068 -10.237 10.264 1.00 0.00 C ATOM 786 O SER A 56 5.381 -9.335 9.787 1.00 0.00 O ATOM 787 CB SER A 56 7.620 -11.236 8.563 1.00 0.00 C ATOM 788 OG SER A 56 8.673 -10.603 9.284 1.00 0.00 O ATOM 0 H SER A 56 4.944 -11.160 7.962 1.00 0.00 H new ATOM 0 HA SER A 56 6.622 -12.309 10.116 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.976 -12.184 8.160 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.338 -10.614 7.713 1.00 0.00 H new ATOM 0 HG SER A 56 9.433 -10.449 8.685 1.00 0.00 H new ATOM 794 N PRO A 57 6.591 -10.224 11.520 1.00 0.00 N ATOM 795 CA PRO A 57 6.364 -9.102 12.414 1.00 0.00 C ATOM 796 C PRO A 57 7.216 -7.897 12.010 1.00 0.00 C ATOM 797 O PRO A 57 6.863 -6.756 12.303 1.00 0.00 O ATOM 798 CB PRO A 57 6.700 -9.629 13.800 1.00 0.00 C ATOM 799 CG PRO A 57 7.542 -10.874 13.579 1.00 0.00 C ATOM 800 CD PRO A 57 7.409 -11.274 12.119 1.00 0.00 C ATOM 0 HA PRO A 57 5.337 -8.738 12.379 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.247 -8.885 14.379 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.794 -9.864 14.359 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.585 -10.678 13.828 1.00 0.00 H new ATOM 0 HG3 PRO A 57 7.206 -11.682 14.228 1.00 0.00 H new ATOM 0 HD2 PRO A 57 8.384 -11.340 11.636 1.00 0.00 H new ATOM 0 HD3 PRO A 57 6.936 -12.251 12.018 1.00 0.00 H new ATOM 808 N MET A 58 8.322 -8.193 11.342 1.00 0.00 N ATOM 809 CA MET A 58 9.228 -7.148 10.895 1.00 0.00 C ATOM 810 C MET A 58 8.688 -6.455 9.642 1.00 0.00 C ATOM 811 O MET A 58 9.098 -5.341 9.320 1.00 0.00 O ATOM 812 CB MET A 58 10.599 -7.756 10.592 1.00 0.00 C ATOM 813 CG MET A 58 11.719 -6.756 10.884 1.00 0.00 C ATOM 814 SD MET A 58 11.705 -6.311 12.613 1.00 0.00 S ATOM 815 CE MET A 58 11.541 -7.930 13.348 1.00 0.00 C ATOM 0 H MET A 58 8.611 -9.141 11.100 1.00 0.00 H new ATOM 0 HA MET A 58 9.318 -6.406 11.688 1.00 0.00 H new ATOM 0 HB2 MET A 58 10.743 -8.654 11.192 1.00 0.00 H new ATOM 0 HB3 MET A 58 10.642 -8.061 9.546 1.00 0.00 H new ATOM 0 HG2 MET A 58 12.683 -7.190 10.620 1.00 0.00 H new ATOM 0 HG3 MET A 58 11.591 -5.865 10.270 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.899 -7.900 14.377 1.00 0.00 H new ATOM 0 HE2 MET A 58 10.493 -8.230 13.336 1.00 0.00 H new ATOM 0 HE3 MET A 58 12.131 -8.649 12.780 1.00 0.00 H new ATOM 825 N VAL A 59 7.778 -7.143 8.969 1.00 0.00 N ATOM 826 CA VAL A 59 7.178 -6.607 7.759 1.00 0.00 C ATOM 827 C VAL A 59 6.092 -5.598 8.136 1.00 0.00 C ATOM 828 O VAL A 59 5.609 -4.853 7.285 1.00 0.00 O ATOM 829 CB VAL A 59 6.656 -7.749 6.884 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.536 -7.264 5.962 1.00 0.00 C ATOM 831 CG2 VAL A 59 7.790 -8.388 6.081 1.00 0.00 C ATOM 0 H VAL A 59 7.441 -8.067 9.239 1.00 0.00 H new ATOM 0 HA VAL A 59 7.923 -6.075 7.167 1.00 0.00 H new ATOM 0 HB VAL A 59 6.241 -8.513 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.183 -8.094 5.351 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.712 -6.879 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.914 -6.473 5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.391 -9.196 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.248 -7.637 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.540 -8.787 6.764 1.00 0.00 H new ATOM 841 N LYS A 60 5.739 -5.607 9.414 1.00 0.00 N ATOM 842 CA LYS A 60 4.719 -4.701 9.914 1.00 0.00 C ATOM 843 C LYS A 60 5.391 -3.477 10.538 1.00 0.00 C ATOM 844 O LYS A 60 4.718 -2.609 11.091 1.00 0.00 O ATOM 845 CB LYS A 60 3.772 -5.435 10.866 1.00 0.00 C ATOM 846 CG LYS A 60 3.347 -6.785 10.285 1.00 0.00 C ATOM 847 CD LYS A 60 2.317 -6.601 9.168 1.00 0.00 C ATOM 848 CE LYS A 60 0.968 -6.153 9.735 1.00 0.00 C ATOM 849 NZ LYS A 60 -0.143 -6.762 8.971 1.00 0.00 N ATOM 0 H LYS A 60 6.141 -6.227 10.117 1.00 0.00 H new ATOM 0 HA LYS A 60 4.096 -4.340 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.263 -5.587 11.827 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.890 -4.822 11.052 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.220 -7.309 9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.926 -7.408 11.074 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.679 -5.862 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.194 -7.537 8.624 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.895 -6.439 10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 60 0.892 -5.066 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.051 -6.448 9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -0.081 -6.469 7.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.079 -7.798 9.031 1.00 0.00 H new ATOM 863 N LYS A 61 6.711 -3.447 10.429 1.00 0.00 N ATOM 864 CA LYS A 61 7.482 -2.343 10.976 1.00 0.00 C ATOM 865 C LYS A 61 8.223 -1.632 9.841 1.00 0.00 C ATOM 866 O LYS A 61 8.701 -0.512 10.013 1.00 0.00 O ATOM 867 CB LYS A 61 8.401 -2.835 12.097 1.00 0.00 C ATOM 868 CG LYS A 61 9.728 -3.347 11.533 1.00 0.00 C ATOM 869 CD LYS A 61 10.848 -2.329 11.756 1.00 0.00 C ATOM 870 CE LYS A 61 12.122 -2.745 11.018 1.00 0.00 C ATOM 871 NZ LYS A 61 12.816 -1.558 10.472 1.00 0.00 N ATOM 0 H LYS A 61 7.266 -4.169 9.970 1.00 0.00 H new ATOM 0 HA LYS A 61 6.821 -1.608 11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.589 -2.024 12.800 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.907 -3.631 12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 61 9.990 -4.291 12.010 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.621 -3.547 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.526 -1.347 11.409 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.054 -2.238 12.822 1.00 0.00 H new ATOM 0 HE2 LYS A 61 12.785 -3.280 11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 61 11.873 -3.432 10.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.678 -1.858 9.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 12.187 -1.063 9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 13.071 -0.917 11.250 1.00 0.00 H new ATOM 885 N ILE A 62 8.294 -2.313 8.707 1.00 0.00 N ATOM 886 CA ILE A 62 8.968 -1.761 7.544 1.00 0.00 C ATOM 887 C ILE A 62 7.956 -0.996 6.688 1.00 0.00 C ATOM 888 O ILE A 62 8.337 -0.198 5.834 1.00 0.00 O ATOM 889 CB ILE A 62 9.711 -2.860 6.783 1.00 0.00 C ATOM 890 CG1 ILE A 62 10.753 -3.537 7.675 1.00 0.00 C ATOM 891 CG2 ILE A 62 10.328 -2.314 5.493 1.00 0.00 C ATOM 892 CD1 ILE A 62 10.935 -5.006 7.289 1.00 0.00 C ATOM 0 H ILE A 62 7.896 -3.242 8.569 1.00 0.00 H new ATOM 0 HA ILE A 62 9.732 -1.046 7.850 1.00 0.00 H new ATOM 0 HB ILE A 62 8.988 -3.624 6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 62 11.705 -3.014 7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 62 10.444 -3.467 8.718 1.00 0.00 H new ATOM 0 HG21 ILE A 62 10.850 -3.116 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.540 -1.917 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.033 -1.519 5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.681 -5.463 7.939 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.986 -5.532 7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.267 -5.071 6.253 1.00 0.00 H new ATOM 904 N ILE A 63 6.685 -1.268 6.948 1.00 0.00 N ATOM 905 CA ILE A 63 5.615 -0.615 6.212 1.00 0.00 C ATOM 906 C ILE A 63 5.158 0.627 6.979 1.00 0.00 C ATOM 907 O ILE A 63 5.185 1.735 6.446 1.00 0.00 O ATOM 908 CB ILE A 63 4.487 -1.606 5.917 1.00 0.00 C ATOM 909 CG1 ILE A 63 4.881 -2.567 4.793 1.00 0.00 C ATOM 910 CG2 ILE A 63 3.180 -0.872 5.611 1.00 0.00 C ATOM 911 CD1 ILE A 63 4.159 -3.908 4.940 1.00 0.00 C ATOM 0 H ILE A 63 6.372 -1.931 7.657 1.00 0.00 H new ATOM 0 HA ILE A 63 5.973 -0.275 5.240 1.00 0.00 H new ATOM 0 HB ILE A 63 4.318 -2.207 6.810 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.638 -2.123 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.959 -2.727 4.808 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.394 -1.599 5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 63 2.895 -0.263 6.469 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.318 -0.230 4.741 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.457 -4.572 4.129 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.424 -4.361 5.896 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.082 -3.747 4.901 1.00 0.00 H new ATOM 923 N GLU A 64 4.749 0.400 8.219 1.00 0.00 N ATOM 924 CA GLU A 64 4.287 1.487 9.065 1.00 0.00 C ATOM 925 C GLU A 64 5.321 2.615 9.093 1.00 0.00 C ATOM 926 O GLU A 64 4.962 3.790 9.136 1.00 0.00 O ATOM 927 CB GLU A 64 3.980 0.989 10.479 1.00 0.00 C ATOM 928 CG GLU A 64 2.803 0.012 10.472 1.00 0.00 C ATOM 929 CD GLU A 64 2.840 -0.899 11.701 1.00 0.00 C ATOM 930 OE1 GLU A 64 3.775 -0.722 12.511 1.00 0.00 O ATOM 931 OE2 GLU A 64 1.932 -1.752 11.803 1.00 0.00 O ATOM 0 H GLU A 64 4.728 -0.521 8.658 1.00 0.00 H new ATOM 0 HA GLU A 64 3.361 1.880 8.645 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.861 0.500 10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.750 1.836 11.125 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.865 0.567 10.454 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.833 -0.593 9.566 1.00 0.00 H new ATOM 938 N LYS A 65 6.584 2.216 9.069 1.00 0.00 N ATOM 939 CA LYS A 65 7.673 3.178 9.091 1.00 0.00 C ATOM 940 C LYS A 65 7.735 3.904 7.746 1.00 0.00 C ATOM 941 O LYS A 65 8.051 5.091 7.690 1.00 0.00 O ATOM 942 CB LYS A 65 8.985 2.494 9.482 1.00 0.00 C ATOM 943 CG LYS A 65 9.173 2.496 11.000 1.00 0.00 C ATOM 944 CD LYS A 65 9.849 3.787 11.467 1.00 0.00 C ATOM 945 CE LYS A 65 10.249 3.695 12.941 1.00 0.00 C ATOM 946 NZ LYS A 65 10.944 4.930 13.368 1.00 0.00 N ATOM 0 H LYS A 65 6.878 1.240 9.035 1.00 0.00 H new ATOM 0 HA LYS A 65 7.496 3.936 9.854 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.989 1.468 9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.822 3.006 9.008 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.205 2.390 11.490 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.776 1.638 11.297 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.732 3.980 10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.172 4.629 11.322 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.362 3.539 13.555 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.899 2.833 13.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.208 4.851 14.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.801 5.063 12.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.312 5.746 13.240 1.00 0.00 H new ATOM 960 N MET A 66 7.428 3.159 6.693 1.00 0.00 N ATOM 961 CA MET A 66 7.444 3.716 5.352 1.00 0.00 C ATOM 962 C MET A 66 6.487 4.904 5.240 1.00 0.00 C ATOM 963 O MET A 66 6.800 5.899 4.586 1.00 0.00 O ATOM 964 CB MET A 66 7.039 2.637 4.346 1.00 0.00 C ATOM 965 CG MET A 66 8.170 2.360 3.353 1.00 0.00 C ATOM 966 SD MET A 66 8.381 3.758 2.263 1.00 0.00 S ATOM 967 CE MET A 66 6.700 3.972 1.704 1.00 0.00 C ATOM 0 H MET A 66 7.167 2.174 6.743 1.00 0.00 H new ATOM 0 HA MET A 66 8.454 4.066 5.136 1.00 0.00 H new ATOM 0 HB2 MET A 66 6.782 1.719 4.875 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.146 2.954 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 66 9.098 2.164 3.891 1.00 0.00 H new ATOM 0 HG3 MET A 66 7.944 1.466 2.772 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.702 4.401 0.702 1.00 0.00 H new ATOM 0 HE2 MET A 66 6.197 3.005 1.683 1.00 0.00 H new ATOM 0 HE3 MET A 66 6.173 4.641 2.384 1.00 0.00 H new ATOM 977 N LEU A 67 5.340 4.762 5.887 1.00 0.00 N ATOM 978 CA LEU A 67 4.335 5.811 5.868 1.00 0.00 C ATOM 979 C LEU A 67 4.846 7.015 6.662 1.00 0.00 C ATOM 980 O LEU A 67 4.302 8.113 6.551 1.00 0.00 O ATOM 981 CB LEU A 67 2.990 5.274 6.363 1.00 0.00 C ATOM 982 CG LEU A 67 2.211 4.404 5.375 1.00 0.00 C ATOM 983 CD1 LEU A 67 3.074 3.251 4.861 1.00 0.00 C ATOM 984 CD2 LEU A 67 0.902 3.909 5.994 1.00 0.00 C ATOM 0 H LEU A 67 5.084 3.936 6.428 1.00 0.00 H new ATOM 0 HA LEU A 67 4.160 6.152 4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.164 4.693 7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.364 6.121 6.643 1.00 0.00 H new ATOM 0 HG LEU A 67 1.948 5.018 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.496 2.648 4.160 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.953 3.652 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.389 2.630 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.368 3.293 5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.121 3.318 6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.284 4.763 6.270 1.00 0.00 H new ATOM 996 N LYS A 68 5.885 6.769 7.446 1.00 0.00 N ATOM 997 CA LYS A 68 6.476 7.819 8.258 1.00 0.00 C ATOM 998 C LYS A 68 7.765 8.308 7.594 1.00 0.00 C ATOM 999 O LYS A 68 8.159 9.460 7.769 1.00 0.00 O ATOM 1000 CB LYS A 68 6.671 7.338 9.697 1.00 0.00 C ATOM 1001 CG LYS A 68 5.524 7.811 10.593 1.00 0.00 C ATOM 1002 CD LYS A 68 6.032 8.766 11.675 1.00 0.00 C ATOM 1003 CE LYS A 68 5.133 9.999 11.784 1.00 0.00 C ATOM 1004 NZ LYS A 68 5.597 10.884 12.876 1.00 0.00 N ATOM 0 H LYS A 68 6.333 5.857 7.536 1.00 0.00 H new ATOM 0 HA LYS A 68 5.804 8.675 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 68 6.727 6.250 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.618 7.713 10.084 1.00 0.00 H new ATOM 0 HG2 LYS A 68 4.767 8.311 9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.043 6.951 11.059 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.065 8.250 12.634 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.052 9.074 11.444 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.137 10.544 10.840 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.104 9.691 11.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.976 11.716 12.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.571 10.366 13.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.571 11.193 12.683 1.00 0.00 H new ATOM 1018 N ASN A 69 8.384 7.408 6.844 1.00 0.00 N ATOM 1019 CA ASN A 69 9.620 7.734 6.153 1.00 0.00 C ATOM 1020 C ASN A 69 10.693 8.102 7.180 1.00 0.00 C ATOM 1021 O ASN A 69 11.560 7.289 7.495 1.00 0.00 O ATOM 1022 CB ASN A 69 9.430 8.930 5.218 1.00 0.00 C ATOM 1023 CG ASN A 69 10.773 9.420 4.673 1.00 0.00 C ATOM 1024 OD1 ASN A 69 11.597 9.971 5.385 1.00 0.00 O ATOM 1025 ND2 ASN A 69 10.947 9.189 3.375 1.00 0.00 N ATOM 0 H ASN A 69 8.053 6.454 6.700 1.00 0.00 H new ATOM 0 HA ASN A 69 9.918 6.864 5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 69 8.779 8.649 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.934 9.739 5.754 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.811 9.478 2.917 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.216 8.723 2.837 1.00 0.00 H new ATOM 1032 N GLY A 70 10.598 9.328 7.673 1.00 0.00 N ATOM 1033 CA GLY A 70 11.549 9.814 8.658 1.00 0.00 C ATOM 1034 C GLY A 70 11.707 11.333 8.565 1.00 0.00 C ATOM 1035 O GLY A 70 10.718 12.060 8.482 1.00 0.00 O ATOM 0 H GLY A 70 9.877 9.999 7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.214 9.540 9.658 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.515 9.334 8.503 1.00 0.00 H new ATOM 1135 N ARG B 8 7.400 15.664 -8.836 1.00 0.00 N ATOM 1136 CA ARG B 8 6.335 16.005 -7.908 1.00 0.00 C ATOM 1137 C ARG B 8 5.711 14.735 -7.326 1.00 0.00 C ATOM 1138 O ARG B 8 6.407 13.748 -7.093 1.00 0.00 O ATOM 1139 CB ARG B 8 5.247 16.830 -8.598 1.00 0.00 C ATOM 1140 CG ARG B 8 5.861 17.887 -9.518 1.00 0.00 C ATOM 1141 CD ARG B 8 5.140 19.228 -9.371 1.00 0.00 C ATOM 1142 NE ARG B 8 5.978 20.170 -8.595 1.00 0.00 N ATOM 1143 CZ ARG B 8 7.155 20.652 -9.018 1.00 0.00 C ATOM 1144 NH1 ARG B 8 7.640 20.283 -10.211 1.00 0.00 N ATOM 1145 NH2 ARG B 8 7.846 21.503 -8.247 1.00 0.00 N ATOM 0 HA ARG B 8 6.772 16.599 -7.106 1.00 0.00 H new ATOM 0 HB2 ARG B 8 4.598 16.172 -9.176 1.00 0.00 H new ATOM 0 HB3 ARG B 8 4.622 17.314 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG B 8 6.918 18.011 -9.281 1.00 0.00 H new ATOM 0 HG3 ARG B 8 5.803 17.551 -10.553 1.00 0.00 H new ATOM 0 HD2 ARG B 8 4.925 19.645 -10.355 1.00 0.00 H new ATOM 0 HD3 ARG B 8 4.183 19.083 -8.871 1.00 0.00 H new ATOM 0 HE ARG B 8 5.638 20.471 -7.681 1.00 0.00 H new ATOM 0 HH11 ARG B 8 7.114 19.635 -10.797 1.00 0.00 H new ATOM 0 HH12 ARG B 8 8.536 20.650 -10.533 1.00 0.00 H new ATOM 0 HH21 ARG B 8 7.476 21.784 -7.339 1.00 0.00 H new ATOM 0 HH22 ARG B 8 8.742 21.870 -8.568 1.00 0.00 H new ATOM 1159 N CYS B 9 4.406 14.802 -7.108 1.00 0.00 N ATOM 1160 CA CYS B 9 3.680 13.670 -6.558 1.00 0.00 C ATOM 1161 C CYS B 9 3.023 12.913 -7.714 1.00 0.00 C ATOM 1162 O CYS B 9 2.853 13.460 -8.802 1.00 0.00 O ATOM 1163 CB CYS B 9 2.656 14.110 -5.510 1.00 0.00 C ATOM 1164 SG CYS B 9 3.344 14.392 -3.837 1.00 0.00 S ATOM 0 H CYS B 9 3.832 15.623 -7.302 1.00 0.00 H new ATOM 0 HA CYS B 9 4.373 13.008 -6.038 1.00 0.00 H new ATOM 0 HB2 CYS B 9 2.179 15.029 -5.851 1.00 0.00 H new ATOM 0 HB3 CYS B 9 1.876 13.352 -5.444 1.00 0.00 H new ATOM 1169 N GLN B 10 2.672 11.665 -7.438 1.00 0.00 N ATOM 1170 CA GLN B 10 2.038 10.827 -8.442 1.00 0.00 C ATOM 1171 C GLN B 10 0.527 11.065 -8.454 1.00 0.00 C ATOM 1172 O GLN B 10 -0.184 10.519 -9.296 1.00 0.00 O ATOM 1173 CB GLN B 10 2.359 9.350 -8.205 1.00 0.00 C ATOM 1174 CG GLN B 10 2.169 8.535 -9.486 1.00 0.00 C ATOM 1175 CD GLN B 10 1.273 7.321 -9.236 1.00 0.00 C ATOM 1176 OE1 GLN B 10 0.141 7.250 -9.685 1.00 0.00 O ATOM 1177 NE2 GLN B 10 1.840 6.373 -8.496 1.00 0.00 N ATOM 0 H GLN B 10 2.815 11.214 -6.534 1.00 0.00 H new ATOM 0 HA GLN B 10 2.437 11.099 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN B 10 3.386 9.249 -7.855 1.00 0.00 H new ATOM 0 HB3 GLN B 10 1.714 8.955 -7.420 1.00 0.00 H new ATOM 0 HG2 GLN B 10 1.728 9.164 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN B 10 3.139 8.205 -9.858 1.00 0.00 H new ATOM 0 HE21 GLN B 10 2.792 6.496 -8.152 1.00 0.00 H new ATOM 0 HE22 GLN B 10 1.323 5.523 -8.273 1.00 0.00 H new ATOM 1186 N CYS B 11 0.080 11.879 -7.509 1.00 0.00 N ATOM 1187 CA CYS B 11 -1.333 12.196 -7.400 1.00 0.00 C ATOM 1188 C CYS B 11 -1.467 13.654 -6.957 1.00 0.00 C ATOM 1189 O CYS B 11 -0.739 14.108 -6.075 1.00 0.00 O ATOM 1190 CB CYS B 11 -2.055 11.241 -6.446 1.00 0.00 C ATOM 1191 SG CYS B 11 -3.519 10.406 -7.158 1.00 0.00 S ATOM 0 H CYS B 11 0.673 12.329 -6.811 1.00 0.00 H new ATOM 0 HA CYS B 11 -1.812 12.067 -8.370 1.00 0.00 H new ATOM 0 HB2 CYS B 11 -1.348 10.482 -6.111 1.00 0.00 H new ATOM 0 HB3 CYS B 11 -2.366 11.799 -5.563 1.00 0.00 H new ATOM 1196 N LEU B 12 -2.402 14.348 -7.589 1.00 0.00 N ATOM 1197 CA LEU B 12 -2.640 15.746 -7.271 1.00 0.00 C ATOM 1198 C LEU B 12 -3.846 15.853 -6.336 1.00 0.00 C ATOM 1199 O LEU B 12 -4.066 16.894 -5.719 1.00 0.00 O ATOM 1200 CB LEU B 12 -2.779 16.570 -8.552 1.00 0.00 C ATOM 1201 CG LEU B 12 -1.801 16.230 -9.679 1.00 0.00 C ATOM 1202 CD1 LEU B 12 -2.425 16.506 -11.048 1.00 0.00 C ATOM 1203 CD2 LEU B 12 -0.474 16.969 -9.494 1.00 0.00 C ATOM 0 H LEU B 12 -3.004 13.968 -8.320 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.786 16.167 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -3.794 16.448 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.657 17.623 -8.298 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.584 15.163 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -1.709 16.256 -11.831 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.322 15.898 -11.168 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -2.689 17.561 -11.121 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.203 16.710 -10.308 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.653 18.044 -9.499 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.026 16.680 -8.543 1.00 0.00 H new ATOM 1215 N GLN B 13 -4.595 14.763 -6.261 1.00 0.00 N ATOM 1216 CA GLN B 13 -5.773 14.722 -5.411 1.00 0.00 C ATOM 1217 C GLN B 13 -5.812 13.412 -4.621 1.00 0.00 C ATOM 1218 O GLN B 13 -5.016 12.509 -4.871 1.00 0.00 O ATOM 1219 CB GLN B 13 -7.050 14.904 -6.235 1.00 0.00 C ATOM 1220 CG GLN B 13 -8.145 15.580 -5.407 1.00 0.00 C ATOM 1221 CD GLN B 13 -9.090 16.385 -6.301 1.00 0.00 C ATOM 1222 OE1 GLN B 13 -9.323 16.060 -7.453 1.00 0.00 O ATOM 1223 NE2 GLN B 13 -9.618 17.452 -5.707 1.00 0.00 N ATOM 0 H GLN B 13 -4.409 13.902 -6.775 1.00 0.00 H new ATOM 0 HA GLN B 13 -5.716 15.549 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN B 13 -6.834 15.504 -7.119 1.00 0.00 H new ATOM 0 HB3 GLN B 13 -7.402 13.934 -6.587 1.00 0.00 H new ATOM 0 HG2 GLN B 13 -8.711 14.825 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN B 13 -7.691 16.238 -4.666 1.00 0.00 H new ATOM 0 HE21 GLN B 13 -9.380 17.667 -4.739 1.00 0.00 H new ATOM 0 HE22 GLN B 13 -10.261 18.055 -6.220 1.00 0.00 H new ATOM 1232 N THR B 14 -6.747 13.352 -3.683 1.00 0.00 N ATOM 1233 CA THR B 14 -6.900 12.168 -2.855 1.00 0.00 C ATOM 1234 C THR B 14 -8.343 12.044 -2.363 1.00 0.00 C ATOM 1235 O THR B 14 -9.118 12.995 -2.456 1.00 0.00 O ATOM 1236 CB THR B 14 -5.876 12.249 -1.721 1.00 0.00 C ATOM 1237 OG1 THR B 14 -5.792 13.640 -1.428 1.00 0.00 O ATOM 1238 CG2 THR B 14 -4.464 11.878 -2.179 1.00 0.00 C ATOM 0 H THR B 14 -7.405 14.104 -3.479 1.00 0.00 H new ATOM 0 HA THR B 14 -6.705 11.259 -3.424 1.00 0.00 H new ATOM 0 HB THR B 14 -6.180 11.587 -0.910 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.150 13.783 -0.701 1.00 0.00 H new ATOM 0 HG21 THR B 14 -3.777 11.952 -1.336 1.00 0.00 H new ATOM 0 HG22 THR B 14 -4.462 10.857 -2.560 1.00 0.00 H new ATOM 0 HG23 THR B 14 -4.146 12.560 -2.967 1.00 0.00 H new ATOM 1246 N LEU B 15 -8.661 10.865 -1.850 1.00 0.00 N ATOM 1247 CA LEU B 15 -9.998 10.605 -1.343 1.00 0.00 C ATOM 1248 C LEU B 15 -9.981 10.669 0.185 1.00 0.00 C ATOM 1249 O LEU B 15 -9.093 10.106 0.824 1.00 0.00 O ATOM 1250 CB LEU B 15 -10.533 9.282 -1.897 1.00 0.00 C ATOM 1251 CG LEU B 15 -10.682 9.203 -3.418 1.00 0.00 C ATOM 1252 CD1 LEU B 15 -10.437 7.779 -3.919 1.00 0.00 C ATOM 1253 CD2 LEU B 15 -12.043 9.742 -3.864 1.00 0.00 C ATOM 0 H LEU B 15 -8.016 10.079 -1.774 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.692 11.372 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -9.868 8.481 -1.575 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.506 9.089 -1.446 1.00 0.00 H new ATOM 0 HG LEU B 15 -9.920 9.839 -3.870 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -10.549 7.750 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.428 7.467 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -11.159 7.103 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -12.123 9.675 -4.949 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -12.836 9.153 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.140 10.783 -3.557 1.00 0.00 H new ATOM 1265 N GLN B 16 -10.972 11.361 0.727 1.00 0.00 N ATOM 1266 CA GLN B 16 -11.082 11.507 2.169 1.00 0.00 C ATOM 1267 C GLN B 16 -12.081 10.492 2.730 1.00 0.00 C ATOM 1268 O GLN B 16 -13.141 10.870 3.228 1.00 0.00 O ATOM 1269 CB GLN B 16 -11.480 12.935 2.547 1.00 0.00 C ATOM 1270 CG GLN B 16 -11.944 13.007 4.003 1.00 0.00 C ATOM 1271 CD GLN B 16 -11.397 14.259 4.692 1.00 0.00 C ATOM 1272 OE1 GLN B 16 -12.124 15.171 5.048 1.00 0.00 O ATOM 1273 NE2 GLN B 16 -10.077 14.252 4.858 1.00 0.00 N ATOM 0 H GLN B 16 -11.706 11.827 0.194 1.00 0.00 H new ATOM 0 HA GLN B 16 -10.105 11.309 2.611 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -10.633 13.604 2.398 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -12.278 13.280 1.890 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -13.033 13.013 4.041 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -11.611 12.118 4.539 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -9.527 13.456 4.536 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -9.615 15.043 5.307 1.00 0.00 H new ATOM 1282 N GLY B 17 -11.707 9.225 2.631 1.00 0.00 N ATOM 1283 CA GLY B 17 -12.557 8.154 3.123 1.00 0.00 C ATOM 1284 C GLY B 17 -13.368 7.531 1.985 1.00 0.00 C ATOM 1285 O GLY B 17 -14.366 8.099 1.545 1.00 0.00 O ATOM 0 H GLY B 17 -10.827 8.916 2.218 1.00 0.00 H new ATOM 0 HA2 GLY B 17 -11.944 7.388 3.599 1.00 0.00 H new ATOM 0 HA3 GLY B 17 -13.232 8.542 3.886 1.00 0.00 H new ATOM 1289 N ILE B 18 -12.908 6.371 1.540 1.00 0.00 N ATOM 1290 CA ILE B 18 -13.577 5.664 0.461 1.00 0.00 C ATOM 1291 C ILE B 18 -13.950 4.257 0.933 1.00 0.00 C ATOM 1292 O ILE B 18 -13.367 3.743 1.886 1.00 0.00 O ATOM 1293 CB ILE B 18 -12.718 5.681 -0.805 1.00 0.00 C ATOM 1294 CG1 ILE B 18 -12.915 6.983 -1.584 1.00 0.00 C ATOM 1295 CG2 ILE B 18 -12.992 4.449 -1.670 1.00 0.00 C ATOM 1296 CD1 ILE B 18 -14.205 6.941 -2.406 1.00 0.00 C ATOM 0 H ILE B 18 -12.080 5.903 1.907 1.00 0.00 H new ATOM 0 HA ILE B 18 -14.506 6.168 0.194 1.00 0.00 H new ATOM 0 HB ILE B 18 -11.670 5.639 -0.507 1.00 0.00 H new ATOM 0 HG12 ILE B 18 -12.948 7.824 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE B 18 -12.064 7.148 -2.245 1.00 0.00 H new ATOM 0 HG21 ILE B 18 -12.369 4.486 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE B 18 -12.760 3.547 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE B 18 -14.042 4.435 -1.961 1.00 0.00 H new ATOM 0 HD11 ILE B 18 -14.321 7.879 -2.950 1.00 0.00 H new ATOM 0 HD12 ILE B 18 -14.158 6.114 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE B 18 -15.056 6.800 -1.740 1.00 0.00 H new ATOM 1308 N HIS B 19 -14.920 3.674 0.243 1.00 0.00 N ATOM 1309 CA HIS B 19 -15.377 2.337 0.580 1.00 0.00 C ATOM 1310 C HIS B 19 -14.251 1.332 0.333 1.00 0.00 C ATOM 1311 O HIS B 19 -13.625 1.343 -0.726 1.00 0.00 O ATOM 1312 CB HIS B 19 -16.657 1.992 -0.184 1.00 0.00 C ATOM 1313 CG HIS B 19 -17.730 1.358 0.669 1.00 0.00 C ATOM 1314 ND1 HIS B 19 -18.928 0.901 0.149 1.00 0.00 N ATOM 1315 CD2 HIS B 19 -17.771 1.109 2.009 1.00 0.00 C ATOM 1316 CE1 HIS B 19 -19.651 0.402 1.141 1.00 0.00 C ATOM 1317 NE2 HIS B 19 -18.933 0.532 2.293 1.00 0.00 N ATOM 0 H HIS B 19 -15.401 4.103 -0.547 1.00 0.00 H new ATOM 0 HA HIS B 19 -15.631 2.292 1.639 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -17.055 2.901 -0.634 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -16.409 1.314 -1.001 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -16.991 1.342 2.719 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -20.636 -0.032 1.053 1.00 0.00 H new ATOM 0 HE2 HIS B 19 -19.238 0.235 3.220 1.00 0.00 H new ATOM 1325 N LEU B 20 -14.026 0.487 1.328 1.00 0.00 N ATOM 1326 CA LEU B 20 -12.986 -0.523 1.233 1.00 0.00 C ATOM 1327 C LEU B 20 -13.572 -1.798 0.623 1.00 0.00 C ATOM 1328 O LEU B 20 -12.981 -2.871 0.731 1.00 0.00 O ATOM 1329 CB LEU B 20 -12.324 -0.742 2.595 1.00 0.00 C ATOM 1330 CG LEU B 20 -10.895 -1.288 2.566 1.00 0.00 C ATOM 1331 CD1 LEU B 20 -10.891 -2.800 2.335 1.00 0.00 C ATOM 1332 CD2 LEU B 20 -10.045 -0.547 1.532 1.00 0.00 C ATOM 0 H LEU B 20 -14.547 0.481 2.205 1.00 0.00 H new ATOM 0 HA LEU B 20 -12.190 -0.187 0.568 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -12.318 0.207 3.131 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -12.943 -1.430 3.171 1.00 0.00 H new ATOM 0 HG LEU B 20 -10.441 -1.110 3.541 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -9.863 -3.163 2.319 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -11.437 -3.292 3.140 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -11.370 -3.024 1.382 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -9.034 -0.955 1.532 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -10.486 -0.670 0.543 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -10.008 0.513 1.783 1.00 0.00 H new ATOM 1344 N LYS B 21 -14.728 -1.637 -0.005 1.00 0.00 N ATOM 1345 CA LYS B 21 -15.401 -2.762 -0.633 1.00 0.00 C ATOM 1346 C LYS B 21 -15.022 -2.816 -2.114 1.00 0.00 C ATOM 1347 O LYS B 21 -15.087 -3.875 -2.737 1.00 0.00 O ATOM 1348 CB LYS B 21 -16.909 -2.689 -0.386 1.00 0.00 C ATOM 1349 CG LYS B 21 -17.687 -3.289 -1.559 1.00 0.00 C ATOM 1350 CD LYS B 21 -17.368 -4.776 -1.725 1.00 0.00 C ATOM 1351 CE LYS B 21 -18.451 -5.644 -1.080 1.00 0.00 C ATOM 1352 NZ LYS B 21 -18.914 -6.683 -2.027 1.00 0.00 N ATOM 0 H LYS B 21 -15.215 -0.745 -0.092 1.00 0.00 H new ATOM 0 HA LYS B 21 -15.073 -3.700 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -17.157 -3.224 0.531 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -17.207 -1.651 -0.240 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -18.757 -3.159 -1.395 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -17.438 -2.755 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -17.286 -5.018 -2.785 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -16.402 -4.997 -1.272 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -18.059 -6.114 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -19.292 -5.021 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -19.649 -7.263 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -19.307 -6.229 -2.876 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -18.113 -7.288 -2.297 1.00 0.00 H new ATOM 1366 N ASN B 22 -14.635 -1.661 -2.635 1.00 0.00 N ATOM 1367 CA ASN B 22 -14.246 -1.563 -4.032 1.00 0.00 C ATOM 1368 C ASN B 22 -12.731 -1.739 -4.148 1.00 0.00 C ATOM 1369 O ASN B 22 -12.242 -2.329 -5.111 1.00 0.00 O ATOM 1370 CB ASN B 22 -14.609 -0.194 -4.610 1.00 0.00 C ATOM 1371 CG ASN B 22 -15.876 -0.277 -5.463 1.00 0.00 C ATOM 1372 OD1 ASN B 22 -15.965 -1.033 -6.417 1.00 0.00 O ATOM 1373 ND2 ASN B 22 -16.849 0.539 -5.067 1.00 0.00 N ATOM 0 H ASN B 22 -14.582 -0.785 -2.115 1.00 0.00 H new ATOM 0 HA ASN B 22 -14.775 -2.339 -4.585 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -14.758 0.519 -3.799 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -13.783 0.180 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -17.736 0.557 -5.571 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -16.708 1.146 -4.260 1.00 0.00 H new ATOM 1380 N ILE B 23 -12.028 -1.216 -3.153 1.00 0.00 N ATOM 1381 CA ILE B 23 -10.578 -1.308 -3.132 1.00 0.00 C ATOM 1382 C ILE B 23 -10.164 -2.779 -3.208 1.00 0.00 C ATOM 1383 O ILE B 23 -10.697 -3.616 -2.481 1.00 0.00 O ATOM 1384 CB ILE B 23 -10.013 -0.572 -1.915 1.00 0.00 C ATOM 1385 CG1 ILE B 23 -9.817 0.915 -2.217 1.00 0.00 C ATOM 1386 CG2 ILE B 23 -8.723 -1.232 -1.425 1.00 0.00 C ATOM 1387 CD1 ILE B 23 -10.299 1.780 -1.050 1.00 0.00 C ATOM 0 H ILE B 23 -12.436 -0.727 -2.356 1.00 0.00 H new ATOM 0 HA ILE B 23 -10.151 -0.811 -4.003 1.00 0.00 H new ATOM 0 HB ILE B 23 -10.739 -0.644 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -8.763 1.114 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -10.364 1.181 -3.122 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -8.343 -0.689 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -8.927 -2.265 -1.144 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -7.979 -1.212 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -10.148 2.832 -1.291 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -11.359 1.596 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -9.733 1.528 -0.153 1.00 0.00 H new ATOM 1399 N GLN B 24 -9.216 -3.048 -4.094 1.00 0.00 N ATOM 1400 CA GLN B 24 -8.724 -4.403 -4.274 1.00 0.00 C ATOM 1401 C GLN B 24 -7.256 -4.495 -3.853 1.00 0.00 C ATOM 1402 O GLN B 24 -6.779 -5.567 -3.482 1.00 0.00 O ATOM 1403 CB GLN B 24 -8.909 -4.866 -5.721 1.00 0.00 C ATOM 1404 CG GLN B 24 -9.387 -6.318 -5.775 1.00 0.00 C ATOM 1405 CD GLN B 24 -8.271 -7.245 -6.263 1.00 0.00 C ATOM 1406 OE1 GLN B 24 -8.345 -7.844 -7.323 1.00 0.00 O ATOM 1407 NE2 GLN B 24 -7.236 -7.329 -5.431 1.00 0.00 N ATOM 0 H GLN B 24 -8.776 -2.351 -4.695 1.00 0.00 H new ATOM 0 HA GLN B 24 -9.307 -5.068 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -9.632 -4.223 -6.223 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -7.967 -4.769 -6.261 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -9.719 -6.632 -4.786 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -10.247 -6.397 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -7.239 -6.800 -4.559 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -6.440 -7.922 -5.665 1.00 0.00 H new ATOM 1416 N SER B 25 -6.581 -3.357 -3.924 1.00 0.00 N ATOM 1417 CA SER B 25 -5.177 -3.296 -3.555 1.00 0.00 C ATOM 1418 C SER B 25 -4.856 -1.931 -2.942 1.00 0.00 C ATOM 1419 O SER B 25 -5.638 -0.991 -3.069 1.00 0.00 O ATOM 1420 CB SER B 25 -4.277 -3.560 -4.764 1.00 0.00 C ATOM 1421 OG SER B 25 -4.992 -4.158 -5.841 1.00 0.00 O ATOM 0 H SER B 25 -6.980 -2.470 -4.232 1.00 0.00 H new ATOM 0 HA SER B 25 -4.984 -4.074 -2.816 1.00 0.00 H new ATOM 0 HB2 SER B 25 -3.835 -2.621 -5.099 1.00 0.00 H new ATOM 0 HB3 SER B 25 -3.455 -4.212 -4.468 1.00 0.00 H new ATOM 0 HG SER B 25 -5.434 -4.974 -5.527 1.00 0.00 H new ATOM 1427 N VAL B 26 -3.704 -1.866 -2.291 1.00 0.00 N ATOM 1428 CA VAL B 26 -3.270 -0.632 -1.659 1.00 0.00 C ATOM 1429 C VAL B 26 -1.819 -0.345 -2.052 1.00 0.00 C ATOM 1430 O VAL B 26 -0.982 -1.246 -2.049 1.00 0.00 O ATOM 1431 CB VAL B 26 -3.473 -0.720 -0.145 1.00 0.00 C ATOM 1432 CG1 VAL B 26 -2.699 0.384 0.577 1.00 0.00 C ATOM 1433 CG2 VAL B 26 -4.960 -0.672 0.213 1.00 0.00 C ATOM 0 H VAL B 26 -3.058 -2.648 -2.188 1.00 0.00 H new ATOM 0 HA VAL B 26 -3.873 0.207 -2.006 1.00 0.00 H new ATOM 0 HB VAL B 26 -3.079 -1.679 0.190 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.861 0.299 1.652 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.635 0.284 0.361 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -3.049 1.358 0.234 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -5.076 -0.736 1.295 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -5.390 0.264 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -5.475 -1.510 -0.258 1.00 0.00 H new ATOM 1443 N LYS B 27 -1.567 0.913 -2.381 1.00 0.00 N ATOM 1444 CA LYS B 27 -0.232 1.330 -2.776 1.00 0.00 C ATOM 1445 C LYS B 27 0.176 2.559 -1.960 1.00 0.00 C ATOM 1446 O LYS B 27 -0.508 3.580 -1.987 1.00 0.00 O ATOM 1447 CB LYS B 27 -0.163 1.545 -4.289 1.00 0.00 C ATOM 1448 CG LYS B 27 1.278 1.448 -4.792 1.00 0.00 C ATOM 1449 CD LYS B 27 2.195 2.396 -4.017 1.00 0.00 C ATOM 1450 CE LYS B 27 3.395 2.817 -4.868 1.00 0.00 C ATOM 1451 NZ LYS B 27 3.894 1.672 -5.661 1.00 0.00 N ATOM 0 H LYS B 27 -2.264 1.657 -2.382 1.00 0.00 H new ATOM 0 HA LYS B 27 0.493 0.546 -2.556 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -0.779 0.801 -4.794 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -0.574 2.523 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS B 27 1.635 0.424 -4.686 1.00 0.00 H new ATOM 0 HG3 LYS B 27 1.313 1.690 -5.854 1.00 0.00 H new ATOM 0 HD2 LYS B 27 1.635 3.279 -3.710 1.00 0.00 H new ATOM 0 HD3 LYS B 27 2.544 1.907 -3.107 1.00 0.00 H new ATOM 0 HE2 LYS B 27 3.109 3.631 -5.534 1.00 0.00 H new ATOM 0 HE3 LYS B 27 4.190 3.196 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 4.894 1.826 -5.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 3.802 0.798 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 3.337 1.586 -6.535 1.00 0.00 H new ATOM 1465 N VAL B 28 1.289 2.419 -1.256 1.00 0.00 N ATOM 1466 CA VAL B 28 1.796 3.505 -0.434 1.00 0.00 C ATOM 1467 C VAL B 28 3.132 3.987 -1.002 1.00 0.00 C ATOM 1468 O VAL B 28 4.091 3.220 -1.080 1.00 0.00 O ATOM 1469 CB VAL B 28 1.894 3.056 1.025 1.00 0.00 C ATOM 1470 CG1 VAL B 28 2.881 3.929 1.802 1.00 0.00 C ATOM 1471 CG2 VAL B 28 0.517 3.057 1.692 1.00 0.00 C ATOM 0 H VAL B 28 1.854 1.570 -1.238 1.00 0.00 H new ATOM 0 HA VAL B 28 1.109 4.351 -0.454 1.00 0.00 H new ATOM 0 HB VAL B 28 2.271 2.033 1.037 1.00 0.00 H new ATOM 0 HG11 VAL B 28 2.932 3.589 2.836 1.00 0.00 H new ATOM 0 HG12 VAL B 28 3.869 3.855 1.347 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.547 4.966 1.777 1.00 0.00 H new ATOM 0 HG21 VAL B 28 0.615 2.734 2.728 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.100 4.063 1.663 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.145 2.374 1.160 1.00 0.00 H new ATOM 1481 N LYS B 29 3.153 5.256 -1.385 1.00 0.00 N ATOM 1482 CA LYS B 29 4.356 5.849 -1.943 1.00 0.00 C ATOM 1483 C LYS B 29 4.749 7.073 -1.113 1.00 0.00 C ATOM 1484 O LYS B 29 4.196 8.156 -1.297 1.00 0.00 O ATOM 1485 CB LYS B 29 4.163 6.151 -3.431 1.00 0.00 C ATOM 1486 CG LYS B 29 5.507 6.191 -4.161 1.00 0.00 C ATOM 1487 CD LYS B 29 6.039 7.622 -4.255 1.00 0.00 C ATOM 1488 CE LYS B 29 6.004 8.127 -5.699 1.00 0.00 C ATOM 1489 NZ LYS B 29 7.217 7.693 -6.428 1.00 0.00 N ATOM 0 H LYS B 29 2.356 5.889 -1.320 1.00 0.00 H new ATOM 0 HA LYS B 29 5.188 5.147 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS B 29 3.524 5.391 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS B 29 3.653 7.107 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS B 29 6.229 5.565 -3.636 1.00 0.00 H new ATOM 0 HG3 LYS B 29 5.393 5.775 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS B 29 5.441 8.278 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.061 7.659 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS B 29 5.115 7.747 -6.202 1.00 0.00 H new ATOM 0 HE3 LYS B 29 5.936 9.215 -5.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.178 8.044 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 8.061 8.076 -5.956 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 7.265 6.654 -6.434 1.00 0.00 H new ATOM 1503 N SER B 30 5.700 6.859 -0.216 1.00 0.00 N ATOM 1504 CA SER B 30 6.174 7.931 0.643 1.00 0.00 C ATOM 1505 C SER B 30 6.720 9.080 -0.207 1.00 0.00 C ATOM 1506 O SER B 30 6.825 8.960 -1.426 1.00 0.00 O ATOM 1507 CB SER B 30 7.247 7.428 1.610 1.00 0.00 C ATOM 1508 OG SER B 30 6.910 7.698 2.968 1.00 0.00 O ATOM 0 H SER B 30 6.155 5.959 -0.065 1.00 0.00 H new ATOM 0 HA SER B 30 5.333 8.293 1.234 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.381 6.355 1.476 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.200 7.901 1.372 1.00 0.00 H new ATOM 0 HG SER B 30 7.240 6.972 3.538 1.00 0.00 H new ATOM 1514 N PRO B 31 7.064 10.196 0.490 1.00 0.00 N ATOM 1515 CA PRO B 31 7.598 11.366 -0.188 1.00 0.00 C ATOM 1516 C PRO B 31 9.051 11.140 -0.610 1.00 0.00 C ATOM 1517 O PRO B 31 9.599 10.057 -0.406 1.00 0.00 O ATOM 1518 CB PRO B 31 7.439 12.504 0.808 1.00 0.00 C ATOM 1519 CG PRO B 31 7.254 11.846 2.166 1.00 0.00 C ATOM 1520 CD PRO B 31 6.955 10.374 1.934 1.00 0.00 C ATOM 0 HA PRO B 31 7.073 11.590 -1.117 1.00 0.00 H new ATOM 0 HB2 PRO B 31 8.316 13.152 0.804 1.00 0.00 H new ATOM 0 HB3 PRO B 31 6.581 13.127 0.556 1.00 0.00 H new ATOM 0 HG2 PRO B 31 8.153 11.962 2.772 1.00 0.00 H new ATOM 0 HG3 PRO B 31 6.438 12.320 2.712 1.00 0.00 H new ATOM 0 HD2 PRO B 31 7.663 9.738 2.466 1.00 0.00 H new ATOM 0 HD3 PRO B 31 5.959 10.111 2.291 1.00 0.00 H new ATOM 1528 N GLY B 32 9.634 12.178 -1.190 1.00 0.00 N ATOM 1529 CA GLY B 32 11.013 12.107 -1.643 1.00 0.00 C ATOM 1530 C GLY B 32 11.636 13.502 -1.725 1.00 0.00 C ATOM 1531 O GLY B 32 11.121 14.451 -1.137 1.00 0.00 O ATOM 0 H GLY B 32 9.176 13.074 -1.357 1.00 0.00 H new ATOM 0 HA2 GLY B 32 11.592 11.486 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY B 32 11.054 11.629 -2.622 1.00 0.00 H new ATOM 1535 N PRO B 33 12.765 13.583 -2.479 1.00 0.00 N ATOM 1536 CA PRO B 33 13.464 14.846 -2.645 1.00 0.00 C ATOM 1537 C PRO B 33 12.713 15.765 -3.610 1.00 0.00 C ATOM 1538 O PRO B 33 13.166 16.872 -3.898 1.00 0.00 O ATOM 1539 CB PRO B 33 14.849 14.466 -3.144 1.00 0.00 C ATOM 1540 CG PRO B 33 14.725 13.049 -3.680 1.00 0.00 C ATOM 1541 CD PRO B 33 13.404 12.479 -3.189 1.00 0.00 C ATOM 0 HA PRO B 33 13.531 15.415 -1.718 1.00 0.00 H new ATOM 0 HB2 PRO B 33 15.185 15.150 -3.923 1.00 0.00 H new ATOM 0 HB3 PRO B 33 15.582 14.516 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO B 33 14.760 13.049 -4.769 1.00 0.00 H new ATOM 0 HG3 PRO B 33 15.557 12.436 -3.334 1.00 0.00 H new ATOM 0 HD2 PRO B 33 12.789 12.133 -4.020 1.00 0.00 H new ATOM 0 HD3 PRO B 33 13.562 11.624 -2.532 1.00 0.00 H new ATOM 1549 N HIS B 34 11.577 15.273 -4.083 1.00 0.00 N ATOM 1550 CA HIS B 34 10.759 16.036 -5.009 1.00 0.00 C ATOM 1551 C HIS B 34 9.432 16.403 -4.341 1.00 0.00 C ATOM 1552 O HIS B 34 9.013 17.558 -4.378 1.00 0.00 O ATOM 1553 CB HIS B 34 10.570 15.274 -6.323 1.00 0.00 C ATOM 1554 CG HIS B 34 10.509 13.774 -6.159 1.00 0.00 C ATOM 1555 ND1 HIS B 34 11.591 13.022 -5.734 1.00 0.00 N ATOM 1556 CD2 HIS B 34 9.487 12.895 -6.367 1.00 0.00 C ATOM 1557 CE1 HIS B 34 11.225 11.749 -5.692 1.00 0.00 C ATOM 1558 NE2 HIS B 34 9.921 11.673 -6.085 1.00 0.00 N ATOM 0 H HIS B 34 11.204 14.355 -3.842 1.00 0.00 H new ATOM 0 HA HIS B 34 11.266 16.966 -5.265 1.00 0.00 H new ATOM 0 HB2 HIS B 34 9.651 15.615 -6.800 1.00 0.00 H new ATOM 0 HB3 HIS B 34 11.390 15.523 -6.997 1.00 0.00 H new ATOM 0 HD2 HIS B 34 8.493 13.150 -6.704 1.00 0.00 H new ATOM 0 HE1 HIS B 34 11.849 10.918 -5.398 1.00 0.00 H new ATOM 0 HE2 HIS B 34 9.370 10.817 -6.151 1.00 0.00 H new ATOM 1566 N CYS B 35 8.809 15.397 -3.744 1.00 0.00 N ATOM 1567 CA CYS B 35 7.539 15.598 -3.068 1.00 0.00 C ATOM 1568 C CYS B 35 7.734 15.297 -1.581 1.00 0.00 C ATOM 1569 O CYS B 35 8.110 14.185 -1.213 1.00 0.00 O ATOM 1570 CB CYS B 35 6.429 14.744 -3.683 1.00 0.00 C ATOM 1571 SG CYS B 35 4.880 15.646 -4.049 1.00 0.00 S ATOM 0 H CYS B 35 9.161 14.440 -3.715 1.00 0.00 H new ATOM 0 HA CYS B 35 7.219 16.633 -3.189 1.00 0.00 H new ATOM 0 HB2 CYS B 35 6.801 14.300 -4.606 1.00 0.00 H new ATOM 0 HB3 CYS B 35 6.203 13.923 -3.003 1.00 0.00 H new ATOM 1576 N ALA B 36 7.469 16.307 -0.765 1.00 0.00 N ATOM 1577 CA ALA B 36 7.610 16.165 0.674 1.00 0.00 C ATOM 1578 C ALA B 36 6.267 15.746 1.274 1.00 0.00 C ATOM 1579 O ALA B 36 6.006 15.990 2.452 1.00 0.00 O ATOM 1580 CB ALA B 36 8.131 17.475 1.268 1.00 0.00 C ATOM 0 H ALA B 36 7.157 17.228 -1.074 1.00 0.00 H new ATOM 0 HA ALA B 36 8.335 15.388 0.914 1.00 0.00 H new ATOM 0 HB1 ALA B 36 8.237 17.368 2.348 1.00 0.00 H new ATOM 0 HB2 ALA B 36 9.100 17.713 0.830 1.00 0.00 H new ATOM 0 HB3 ALA B 36 7.428 18.279 1.050 1.00 0.00 H new ATOM 1586 N GLN B 37 5.449 15.122 0.439 1.00 0.00 N ATOM 1587 CA GLN B 37 4.140 14.667 0.872 1.00 0.00 C ATOM 1588 C GLN B 37 3.942 13.194 0.507 1.00 0.00 C ATOM 1589 O GLN B 37 4.557 12.696 -0.434 1.00 0.00 O ATOM 1590 CB GLN B 37 3.031 15.534 0.273 1.00 0.00 C ATOM 1591 CG GLN B 37 3.480 16.992 0.152 1.00 0.00 C ATOM 1592 CD GLN B 37 3.668 17.624 1.533 1.00 0.00 C ATOM 1593 OE1 GLN B 37 3.274 17.080 2.552 1.00 0.00 O ATOM 1594 NE2 GLN B 37 4.291 18.798 1.510 1.00 0.00 N ATOM 0 H GLN B 37 5.669 14.921 -0.537 1.00 0.00 H new ATOM 0 HA GLN B 37 4.085 14.763 1.956 1.00 0.00 H new ATOM 0 HB2 GLN B 37 2.756 15.152 -0.710 1.00 0.00 H new ATOM 0 HB3 GLN B 37 2.140 15.475 0.898 1.00 0.00 H new ATOM 0 HG2 GLN B 37 4.415 17.043 -0.406 1.00 0.00 H new ATOM 0 HG3 GLN B 37 2.740 17.558 -0.414 1.00 0.00 H new ATOM 0 HE21 GLN B 37 4.595 19.197 0.622 1.00 0.00 H new ATOM 0 HE22 GLN B 37 4.465 19.300 2.381 1.00 0.00 H new ATOM 1603 N THR B 38 3.080 12.539 1.271 1.00 0.00 N ATOM 1604 CA THR B 38 2.793 11.133 1.040 1.00 0.00 C ATOM 1605 C THR B 38 1.788 10.975 -0.103 1.00 0.00 C ATOM 1606 O THR B 38 1.020 11.892 -0.390 1.00 0.00 O ATOM 1607 CB THR B 38 2.315 10.525 2.359 1.00 0.00 C ATOM 1608 OG1 THR B 38 3.155 11.122 3.343 1.00 0.00 O ATOM 1609 CG2 THR B 38 2.625 9.030 2.462 1.00 0.00 C ATOM 0 H THR B 38 2.571 12.956 2.050 1.00 0.00 H new ATOM 0 HA THR B 38 3.685 10.594 0.723 1.00 0.00 H new ATOM 0 HB THR B 38 1.241 10.681 2.461 1.00 0.00 H new ATOM 0 HG1 THR B 38 2.911 10.784 4.230 1.00 0.00 H new ATOM 0 HG21 THR B 38 2.265 8.649 3.417 1.00 0.00 H new ATOM 0 HG22 THR B 38 2.130 8.499 1.649 1.00 0.00 H new ATOM 0 HG23 THR B 38 3.702 8.876 2.393 1.00 0.00 H new ATOM 1617 N GLU B 39 1.825 9.805 -0.723 1.00 0.00 N ATOM 1618 CA GLU B 39 0.926 9.515 -1.828 1.00 0.00 C ATOM 1619 C GLU B 39 0.324 8.118 -1.669 1.00 0.00 C ATOM 1620 O GLU B 39 0.867 7.141 -2.182 1.00 0.00 O ATOM 1621 CB GLU B 39 1.646 9.652 -3.171 1.00 0.00 C ATOM 1622 CG GLU B 39 0.840 10.521 -4.139 1.00 0.00 C ATOM 1623 CD GLU B 39 0.740 11.960 -3.630 1.00 0.00 C ATOM 1624 OE1 GLU B 39 1.648 12.358 -2.869 1.00 0.00 O ATOM 1625 OE2 GLU B 39 -0.242 12.631 -4.015 1.00 0.00 O ATOM 0 H GLU B 39 2.463 9.047 -0.482 1.00 0.00 H new ATOM 0 HA GLU B 39 0.115 10.243 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU B 39 2.631 10.092 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU B 39 1.802 8.665 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU B 39 1.312 10.511 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.160 10.104 -4.261 1.00 0.00 H new ATOM 1632 N VAL B 40 -0.792 8.067 -0.955 1.00 0.00 N ATOM 1633 CA VAL B 40 -1.474 6.806 -0.722 1.00 0.00 C ATOM 1634 C VAL B 40 -2.419 6.518 -1.891 1.00 0.00 C ATOM 1635 O VAL B 40 -3.262 7.347 -2.231 1.00 0.00 O ATOM 1636 CB VAL B 40 -2.189 6.839 0.630 1.00 0.00 C ATOM 1637 CG1 VAL B 40 -2.900 5.513 0.907 1.00 0.00 C ATOM 1638 CG2 VAL B 40 -1.214 7.185 1.757 1.00 0.00 C ATOM 0 H VAL B 40 -1.240 8.879 -0.531 1.00 0.00 H new ATOM 0 HA VAL B 40 -0.756 5.987 -0.675 1.00 0.00 H new ATOM 0 HB VAL B 40 -2.946 7.622 0.590 1.00 0.00 H new ATOM 0 HG11 VAL B 40 -3.400 5.563 1.874 1.00 0.00 H new ATOM 0 HG12 VAL B 40 -3.637 5.326 0.127 1.00 0.00 H new ATOM 0 HG13 VAL B 40 -2.170 4.704 0.918 1.00 0.00 H new ATOM 0 HG21 VAL B 40 -1.748 7.202 2.707 1.00 0.00 H new ATOM 0 HG22 VAL B 40 -0.424 6.435 1.798 1.00 0.00 H new ATOM 0 HG23 VAL B 40 -0.775 8.165 1.570 1.00 0.00 H new ATOM 1648 N ILE B 41 -2.247 5.341 -2.474 1.00 0.00 N ATOM 1649 CA ILE B 41 -3.074 4.934 -3.598 1.00 0.00 C ATOM 1650 C ILE B 41 -3.710 3.577 -3.292 1.00 0.00 C ATOM 1651 O ILE B 41 -3.171 2.797 -2.508 1.00 0.00 O ATOM 1652 CB ILE B 41 -2.263 4.956 -4.895 1.00 0.00 C ATOM 1653 CG1 ILE B 41 -1.092 5.936 -4.794 1.00 0.00 C ATOM 1654 CG2 ILE B 41 -3.160 5.256 -6.098 1.00 0.00 C ATOM 1655 CD1 ILE B 41 -1.592 7.366 -4.578 1.00 0.00 C ATOM 0 H ILE B 41 -1.547 4.656 -2.189 1.00 0.00 H new ATOM 0 HA ILE B 41 -3.889 5.642 -3.748 1.00 0.00 H new ATOM 0 HB ILE B 41 -1.839 3.964 -5.049 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -0.440 5.646 -3.970 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -0.494 5.889 -5.704 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -2.558 5.266 -7.007 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -3.928 4.487 -6.180 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -3.633 6.229 -5.965 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -0.740 8.043 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.224 7.661 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -2.169 7.414 -3.654 1.00 0.00 H new ATOM 1667 N ALA B 42 -4.847 3.336 -3.927 1.00 0.00 N ATOM 1668 CA ALA B 42 -5.562 2.086 -3.733 1.00 0.00 C ATOM 1669 C ALA B 42 -6.167 1.637 -5.065 1.00 0.00 C ATOM 1670 O ALA B 42 -6.858 2.408 -5.729 1.00 0.00 O ATOM 1671 CB ALA B 42 -6.621 2.267 -2.644 1.00 0.00 C ATOM 0 H ALA B 42 -5.291 3.985 -4.576 1.00 0.00 H new ATOM 0 HA ALA B 42 -4.881 1.303 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA B 42 -7.157 1.329 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA B 42 -6.138 2.557 -1.711 1.00 0.00 H new ATOM 0 HB3 ALA B 42 -7.324 3.044 -2.945 1.00 0.00 H new ATOM 1677 N THR B 43 -5.884 0.391 -5.417 1.00 0.00 N ATOM 1678 CA THR B 43 -6.391 -0.169 -6.658 1.00 0.00 C ATOM 1679 C THR B 43 -7.844 -0.616 -6.486 1.00 0.00 C ATOM 1680 O THR B 43 -8.211 -1.162 -5.447 1.00 0.00 O ATOM 1681 CB THR B 43 -5.454 -1.301 -7.083 1.00 0.00 C ATOM 1682 OG1 THR B 43 -4.248 -0.635 -7.447 1.00 0.00 O ATOM 1683 CG2 THR B 43 -5.908 -1.983 -8.375 1.00 0.00 C ATOM 0 H THR B 43 -5.310 -0.246 -4.864 1.00 0.00 H new ATOM 0 HA THR B 43 -6.405 0.577 -7.453 1.00 0.00 H new ATOM 0 HB THR B 43 -5.393 -2.041 -6.285 1.00 0.00 H new ATOM 0 HG1 THR B 43 -3.583 -1.295 -7.734 1.00 0.00 H new ATOM 0 HG21 THR B 43 -5.208 -2.778 -8.632 1.00 0.00 H new ATOM 0 HG22 THR B 43 -6.902 -2.406 -8.233 1.00 0.00 H new ATOM 0 HG23 THR B 43 -5.937 -1.251 -9.182 1.00 0.00 H new ATOM 1691 N LEU B 44 -8.632 -0.367 -7.522 1.00 0.00 N ATOM 1692 CA LEU B 44 -10.038 -0.737 -7.499 1.00 0.00 C ATOM 1693 C LEU B 44 -10.193 -2.166 -8.022 1.00 0.00 C ATOM 1694 O LEU B 44 -9.406 -2.615 -8.854 1.00 0.00 O ATOM 1695 CB LEU B 44 -10.875 0.292 -8.262 1.00 0.00 C ATOM 1696 CG LEU B 44 -12.130 0.797 -7.548 1.00 0.00 C ATOM 1697 CD1 LEU B 44 -12.627 2.103 -8.171 1.00 0.00 C ATOM 1698 CD2 LEU B 44 -13.218 -0.278 -7.526 1.00 0.00 C ATOM 0 H LEU B 44 -8.324 0.086 -8.382 1.00 0.00 H new ATOM 0 HA LEU B 44 -10.418 -0.728 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -10.241 1.149 -8.491 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -11.174 -0.146 -9.214 1.00 0.00 H new ATOM 0 HG LEU B 44 -11.870 1.013 -6.512 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -13.520 2.440 -7.645 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -11.850 2.863 -8.091 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -12.866 1.937 -9.222 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -14.099 0.107 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -13.483 -0.549 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -12.848 -1.159 -7.001 1.00 0.00 H new ATOM 1710 N LYS B 45 -11.214 -2.840 -7.514 1.00 0.00 N ATOM 1711 CA LYS B 45 -11.483 -4.210 -7.920 1.00 0.00 C ATOM 1712 C LYS B 45 -12.068 -4.212 -9.333 1.00 0.00 C ATOM 1713 O LYS B 45 -12.289 -5.273 -9.915 1.00 0.00 O ATOM 1714 CB LYS B 45 -12.367 -4.911 -6.886 1.00 0.00 C ATOM 1715 CG LYS B 45 -12.513 -6.399 -7.210 1.00 0.00 C ATOM 1716 CD LYS B 45 -13.815 -6.670 -7.966 1.00 0.00 C ATOM 1717 CE LYS B 45 -14.561 -7.862 -7.362 1.00 0.00 C ATOM 1718 NZ LYS B 45 -15.994 -7.538 -7.181 1.00 0.00 N ATOM 0 H LYS B 45 -11.865 -2.464 -6.825 1.00 0.00 H new ATOM 0 HA LYS B 45 -10.558 -4.786 -7.957 1.00 0.00 H new ATOM 0 HB2 LYS B 45 -11.935 -4.792 -5.892 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -13.350 -4.441 -6.865 1.00 0.00 H new ATOM 0 HG2 LYS B 45 -11.665 -6.729 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS B 45 -12.496 -6.979 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS B 45 -14.450 -5.785 -7.933 1.00 0.00 H new ATOM 0 HD3 LYS B 45 -13.596 -6.867 -9.016 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -14.458 -8.731 -8.012 1.00 0.00 H new ATOM 0 HE3 LYS B 45 -14.118 -8.128 -6.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -16.486 -8.357 -6.770 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 -16.088 -6.722 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -16.417 -7.307 -8.103 1.00 0.00 H new ATOM 1732 N ASN B 46 -12.303 -3.013 -9.844 1.00 0.00 N ATOM 1733 CA ASN B 46 -12.859 -2.864 -11.179 1.00 0.00 C ATOM 1734 C ASN B 46 -11.729 -2.560 -12.166 1.00 0.00 C ATOM 1735 O ASN B 46 -11.945 -2.549 -13.377 1.00 0.00 O ATOM 1736 CB ASN B 46 -13.857 -1.706 -11.233 1.00 0.00 C ATOM 1737 CG ASN B 46 -13.718 -0.922 -12.540 1.00 0.00 C ATOM 1738 OD1 ASN B 46 -13.973 -1.421 -13.623 1.00 0.00 O ATOM 1739 ND2 ASN B 46 -13.300 0.330 -12.377 1.00 0.00 N ATOM 0 H ASN B 46 -12.119 -2.135 -9.358 1.00 0.00 H new ATOM 0 HA ASN B 46 -13.368 -3.792 -11.438 1.00 0.00 H new ATOM 0 HB2 ASN B 46 -14.872 -2.092 -11.143 1.00 0.00 H new ATOM 0 HB3 ASN B 46 -13.693 -1.040 -10.386 1.00 0.00 H new ATOM 0 HD21 ASN B 46 -13.175 0.936 -13.188 1.00 0.00 H new ATOM 0 HD22 ASN B 46 -13.104 0.685 -11.441 1.00 0.00 H new ATOM 1746 N GLY B 47 -10.550 -2.322 -11.611 1.00 0.00 N ATOM 1747 CA GLY B 47 -9.387 -2.019 -12.428 1.00 0.00 C ATOM 1748 C GLY B 47 -8.985 -0.550 -12.287 1.00 0.00 C ATOM 1749 O GLY B 47 -7.921 -0.146 -12.753 1.00 0.00 O ATOM 0 H GLY B 47 -10.375 -2.333 -10.606 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -8.554 -2.657 -12.133 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -9.604 -2.242 -13.473 1.00 0.00 H new ATOM 1753 N GLN B 48 -9.858 0.210 -11.642 1.00 0.00 N ATOM 1754 CA GLN B 48 -9.608 1.626 -11.434 1.00 0.00 C ATOM 1755 C GLN B 48 -8.711 1.833 -10.212 1.00 0.00 C ATOM 1756 O GLN B 48 -8.207 0.869 -9.637 1.00 0.00 O ATOM 1757 CB GLN B 48 -10.920 2.399 -11.288 1.00 0.00 C ATOM 1758 CG GLN B 48 -11.437 2.864 -12.651 1.00 0.00 C ATOM 1759 CD GLN B 48 -12.769 3.605 -12.509 1.00 0.00 C ATOM 1760 OE1 GLN B 48 -13.220 3.921 -11.420 1.00 0.00 O ATOM 1761 NE2 GLN B 48 -13.371 3.862 -13.666 1.00 0.00 N ATOM 0 H GLN B 48 -10.740 -0.128 -11.256 1.00 0.00 H new ATOM 0 HA GLN B 48 -9.090 2.016 -12.311 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -11.667 1.767 -10.808 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -10.768 3.262 -10.639 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -10.701 3.518 -13.119 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -11.564 2.004 -13.309 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -12.938 3.569 -14.542 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -14.266 4.352 -13.678 1.00 0.00 H new ATOM 1770 N LYS B 49 -8.540 3.096 -9.850 1.00 0.00 N ATOM 1771 CA LYS B 49 -7.712 3.441 -8.706 1.00 0.00 C ATOM 1772 C LYS B 49 -8.312 4.657 -7.998 1.00 0.00 C ATOM 1773 O LYS B 49 -8.861 5.548 -8.643 1.00 0.00 O ATOM 1774 CB LYS B 49 -6.257 3.636 -9.137 1.00 0.00 C ATOM 1775 CG LYS B 49 -5.735 2.403 -9.878 1.00 0.00 C ATOM 1776 CD LYS B 49 -4.234 2.522 -10.151 1.00 0.00 C ATOM 1777 CE LYS B 49 -3.526 1.187 -9.912 1.00 0.00 C ATOM 1778 NZ LYS B 49 -2.486 0.961 -10.941 1.00 0.00 N ATOM 0 H LYS B 49 -8.960 3.893 -10.328 1.00 0.00 H new ATOM 0 HA LYS B 49 -7.699 2.625 -7.984 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -6.179 4.512 -9.781 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -5.637 3.828 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -5.931 1.509 -9.286 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -6.271 2.286 -10.820 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -4.072 2.845 -11.180 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -3.803 3.287 -9.505 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -3.073 1.181 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -4.252 0.374 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -2.015 0.051 -10.764 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -2.927 0.946 -11.883 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -1.784 1.728 -10.900 1.00 0.00 H new ATOM 1792 N ALA B 50 -8.186 4.655 -6.679 1.00 0.00 N ATOM 1793 CA ALA B 50 -8.709 5.747 -5.875 1.00 0.00 C ATOM 1794 C ALA B 50 -7.622 6.231 -4.912 1.00 0.00 C ATOM 1795 O ALA B 50 -7.254 5.521 -3.978 1.00 0.00 O ATOM 1796 CB ALA B 50 -9.971 5.284 -5.144 1.00 0.00 C ATOM 0 H ALA B 50 -7.729 3.914 -6.147 1.00 0.00 H new ATOM 0 HA ALA B 50 -8.989 6.590 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -10.363 6.103 -4.541 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.722 4.978 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -9.728 4.441 -4.497 1.00 0.00 H new ATOM 1802 N CYS B 51 -7.139 7.437 -5.174 1.00 0.00 N ATOM 1803 CA CYS B 51 -6.103 8.024 -4.342 1.00 0.00 C ATOM 1804 C CYS B 51 -6.701 8.320 -2.966 1.00 0.00 C ATOM 1805 O CYS B 51 -7.844 8.764 -2.864 1.00 0.00 O ATOM 1806 CB CYS B 51 -5.503 9.276 -4.986 1.00 0.00 C ATOM 1807 SG CYS B 51 -3.925 9.004 -5.871 1.00 0.00 S ATOM 0 H CYS B 51 -7.446 8.023 -5.950 1.00 0.00 H new ATOM 0 HA CYS B 51 -5.278 7.320 -4.233 1.00 0.00 H new ATOM 0 HB2 CYS B 51 -6.229 9.691 -5.686 1.00 0.00 H new ATOM 0 HB3 CYS B 51 -5.344 10.025 -4.211 1.00 0.00 H new ATOM 1812 N LEU B 52 -5.902 8.063 -1.941 1.00 0.00 N ATOM 1813 CA LEU B 52 -6.339 8.297 -0.575 1.00 0.00 C ATOM 1814 C LEU B 52 -5.545 9.464 0.017 1.00 0.00 C ATOM 1815 O LEU B 52 -4.513 9.856 -0.525 1.00 0.00 O ATOM 1816 CB LEU B 52 -6.244 7.009 0.246 1.00 0.00 C ATOM 1817 CG LEU B 52 -7.058 5.822 -0.272 1.00 0.00 C ATOM 1818 CD1 LEU B 52 -6.552 4.508 0.326 1.00 0.00 C ATOM 1819 CD2 LEU B 52 -8.552 6.030 -0.017 1.00 0.00 C ATOM 0 H LEU B 52 -4.955 7.695 -2.029 1.00 0.00 H new ATOM 0 HA LEU B 52 -7.390 8.584 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -5.197 6.711 0.298 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -6.564 7.227 1.265 1.00 0.00 H new ATOM 0 HG LEU B 52 -6.921 5.758 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -7.148 3.680 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -5.507 4.362 0.051 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -6.640 4.545 1.412 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -9.108 5.172 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -8.727 6.134 1.054 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -8.886 6.933 -0.528 1.00 0.00 H new ATOM 1831 N ASN B 53 -6.058 9.986 1.122 1.00 0.00 N ATOM 1832 CA ASN B 53 -5.410 11.100 1.794 1.00 0.00 C ATOM 1833 C ASN B 53 -4.639 10.579 3.008 1.00 0.00 C ATOM 1834 O ASN B 53 -5.236 10.075 3.958 1.00 0.00 O ATOM 1835 CB ASN B 53 -6.438 12.119 2.288 1.00 0.00 C ATOM 1836 CG ASN B 53 -5.817 13.512 2.407 1.00 0.00 C ATOM 1837 OD1 ASN B 53 -4.803 13.821 1.803 1.00 0.00 O ATOM 1838 ND2 ASN B 53 -6.479 14.332 3.218 1.00 0.00 N ATOM 0 H ASN B 53 -6.915 9.658 1.568 1.00 0.00 H new ATOM 0 HA ASN B 53 -4.741 11.581 1.081 1.00 0.00 H new ATOM 0 HB2 ASN B 53 -7.283 12.151 1.600 1.00 0.00 H new ATOM 0 HB3 ASN B 53 -6.828 11.807 3.257 1.00 0.00 H new ATOM 0 HD21 ASN B 53 -6.144 15.284 3.365 1.00 0.00 H new ATOM 0 HD22 ASN B 53 -7.322 14.009 3.693 1.00 0.00 H new ATOM 1845 N PRO B 54 -3.288 10.721 2.936 1.00 0.00 N ATOM 1846 CA PRO B 54 -2.429 10.271 4.018 1.00 0.00 C ATOM 1847 C PRO B 54 -2.501 11.228 5.209 1.00 0.00 C ATOM 1848 O PRO B 54 -1.828 11.020 6.218 1.00 0.00 O ATOM 1849 CB PRO B 54 -1.039 10.186 3.407 1.00 0.00 C ATOM 1850 CG PRO B 54 -1.086 11.031 2.145 1.00 0.00 C ATOM 1851 CD PRO B 54 -2.546 11.313 1.826 1.00 0.00 C ATOM 0 HA PRO B 54 -2.732 9.305 4.422 1.00 0.00 H new ATOM 0 HB2 PRO B 54 -0.285 10.560 4.099 1.00 0.00 H new ATOM 0 HB3 PRO B 54 -0.776 9.154 3.176 1.00 0.00 H new ATOM 0 HG2 PRO B 54 -0.540 11.963 2.289 1.00 0.00 H new ATOM 0 HG3 PRO B 54 -0.609 10.507 1.317 1.00 0.00 H new ATOM 0 HD2 PRO B 54 -2.735 12.384 1.749 1.00 0.00 H new ATOM 0 HD3 PRO B 54 -2.836 10.869 0.874 1.00 0.00 H new ATOM 1859 N ALA B 55 -3.323 12.255 5.054 1.00 0.00 N ATOM 1860 CA ALA B 55 -3.491 13.244 6.105 1.00 0.00 C ATOM 1861 C ALA B 55 -4.833 13.016 6.804 1.00 0.00 C ATOM 1862 O ALA B 55 -5.232 13.802 7.661 1.00 0.00 O ATOM 1863 CB ALA B 55 -3.377 14.648 5.507 1.00 0.00 C ATOM 0 H ALA B 55 -3.880 12.424 4.216 1.00 0.00 H new ATOM 0 HA ALA B 55 -2.707 13.144 6.855 1.00 0.00 H new ATOM 0 HB1 ALA B 55 -3.503 15.390 6.295 1.00 0.00 H new ATOM 0 HB2 ALA B 55 -2.396 14.769 5.048 1.00 0.00 H new ATOM 0 HB3 ALA B 55 -4.151 14.786 4.752 1.00 0.00 H new ATOM 1869 N SER B 56 -5.492 11.936 6.412 1.00 0.00 N ATOM 1870 CA SER B 56 -6.780 11.594 6.990 1.00 0.00 C ATOM 1871 C SER B 56 -6.624 10.420 7.959 1.00 0.00 C ATOM 1872 O SER B 56 -5.849 9.499 7.704 1.00 0.00 O ATOM 1873 CB SER B 56 -7.800 11.252 5.901 1.00 0.00 C ATOM 1874 OG SER B 56 -9.104 11.045 6.437 1.00 0.00 O ATOM 0 H SER B 56 -5.158 11.286 5.701 1.00 0.00 H new ATOM 0 HA SER B 56 -7.150 12.461 7.537 1.00 0.00 H new ATOM 0 HB2 SER B 56 -7.833 12.059 5.169 1.00 0.00 H new ATOM 0 HB3 SER B 56 -7.479 10.355 5.372 1.00 0.00 H new ATOM 0 HG SER B 56 -9.726 10.831 5.711 1.00 0.00 H new ATOM 1880 N PRO B 57 -7.393 10.492 9.078 1.00 0.00 N ATOM 1881 CA PRO B 57 -7.348 9.446 10.086 1.00 0.00 C ATOM 1882 C PRO B 57 -8.092 8.196 9.613 1.00 0.00 C ATOM 1883 O PRO B 57 -7.759 7.082 10.013 1.00 0.00 O ATOM 1884 CB PRO B 57 -7.963 10.070 11.328 1.00 0.00 C ATOM 1885 CG PRO B 57 -8.750 11.276 10.842 1.00 0.00 C ATOM 1886 CD PRO B 57 -8.323 11.566 9.412 1.00 0.00 C ATOM 0 HA PRO B 57 -6.334 9.102 10.290 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -8.612 9.361 11.841 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -7.192 10.367 12.039 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.821 11.077 10.888 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -8.559 12.139 11.480 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -9.179 11.573 8.737 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -7.846 12.543 9.332 1.00 0.00 H new ATOM 1894 N MET B 58 -9.087 8.423 8.767 1.00 0.00 N ATOM 1895 CA MET B 58 -9.881 7.329 8.236 1.00 0.00 C ATOM 1896 C MET B 58 -9.101 6.549 7.176 1.00 0.00 C ATOM 1897 O MET B 58 -9.356 5.365 6.957 1.00 0.00 O ATOM 1898 CB MET B 58 -11.167 7.883 7.618 1.00 0.00 C ATOM 1899 CG MET B 58 -12.392 7.116 8.120 1.00 0.00 C ATOM 1900 SD MET B 58 -13.305 8.118 9.282 1.00 0.00 S ATOM 1901 CE MET B 58 -12.174 8.101 10.663 1.00 0.00 C ATOM 0 H MET B 58 -9.361 9.348 8.437 1.00 0.00 H new ATOM 0 HA MET B 58 -10.123 6.651 9.055 1.00 0.00 H new ATOM 0 HB2 MET B 58 -11.268 8.939 7.866 1.00 0.00 H new ATOM 0 HB3 MET B 58 -11.111 7.815 6.532 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.031 6.845 7.280 1.00 0.00 H new ATOM 0 HG3 MET B 58 -12.080 6.186 8.596 1.00 0.00 H new ATOM 0 HE1 MET B 58 -12.637 8.593 11.518 1.00 0.00 H new ATOM 0 HE2 MET B 58 -11.934 7.070 10.924 1.00 0.00 H new ATOM 0 HE3 MET B 58 -11.260 8.629 10.391 1.00 0.00 H new ATOM 1911 N VAL B 59 -8.165 7.244 6.545 1.00 0.00 N ATOM 1912 CA VAL B 59 -7.346 6.631 5.513 1.00 0.00 C ATOM 1913 C VAL B 59 -6.367 5.650 6.161 1.00 0.00 C ATOM 1914 O VAL B 59 -5.747 4.841 5.472 1.00 0.00 O ATOM 1915 CB VAL B 59 -6.648 7.714 4.688 1.00 0.00 C ATOM 1916 CG1 VAL B 59 -5.441 7.142 3.941 1.00 0.00 C ATOM 1917 CG2 VAL B 59 -7.627 8.381 3.719 1.00 0.00 C ATOM 0 H VAL B 59 -7.956 8.225 6.729 1.00 0.00 H new ATOM 0 HA VAL B 59 -7.966 6.062 4.821 1.00 0.00 H new ATOM 0 HB VAL B 59 -6.285 8.477 5.376 1.00 0.00 H new ATOM 0 HG11 VAL B 59 -4.963 7.933 3.362 1.00 0.00 H new ATOM 0 HG12 VAL B 59 -4.728 6.736 4.659 1.00 0.00 H new ATOM 0 HG13 VAL B 59 -5.771 6.350 3.269 1.00 0.00 H new ATOM 0 HG21 VAL B 59 -7.106 9.147 3.145 1.00 0.00 H new ATOM 0 HG22 VAL B 59 -8.034 7.632 3.040 1.00 0.00 H new ATOM 0 HG23 VAL B 59 -8.440 8.840 4.282 1.00 0.00 H new ATOM 1927 N LYS B 60 -6.259 5.753 7.477 1.00 0.00 N ATOM 1928 CA LYS B 60 -5.367 4.885 8.225 1.00 0.00 C ATOM 1929 C LYS B 60 -6.153 3.680 8.748 1.00 0.00 C ATOM 1930 O LYS B 60 -5.610 2.845 9.469 1.00 0.00 O ATOM 1931 CB LYS B 60 -4.648 5.672 9.323 1.00 0.00 C ATOM 1932 CG LYS B 60 -4.154 7.021 8.796 1.00 0.00 C ATOM 1933 CD LYS B 60 -2.941 6.842 7.880 1.00 0.00 C ATOM 1934 CE LYS B 60 -1.688 6.505 8.691 1.00 0.00 C ATOM 1935 NZ LYS B 60 -1.131 5.202 8.266 1.00 0.00 N ATOM 0 H LYS B 60 -6.775 6.425 8.045 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.582 4.497 7.576 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -5.324 5.831 10.163 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.804 5.093 9.698 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -4.956 7.518 8.250 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -3.890 7.668 9.633 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.138 6.047 7.161 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -2.774 7.755 7.308 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -0.941 7.287 8.559 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.932 6.474 9.753 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -0.092 5.244 8.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.463 4.456 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -1.445 4.989 7.298 1.00 0.00 H new ATOM 1949 N LYS B 61 -7.419 3.629 8.362 1.00 0.00 N ATOM 1950 CA LYS B 61 -8.286 2.541 8.783 1.00 0.00 C ATOM 1951 C LYS B 61 -8.749 1.759 7.552 1.00 0.00 C ATOM 1952 O LYS B 61 -9.251 0.643 7.674 1.00 0.00 O ATOM 1953 CB LYS B 61 -9.435 3.072 9.642 1.00 0.00 C ATOM 1954 CG LYS B 61 -8.908 3.704 10.932 1.00 0.00 C ATOM 1955 CD LYS B 61 -9.740 3.263 12.138 1.00 0.00 C ATOM 1956 CE LYS B 61 -9.256 3.947 13.418 1.00 0.00 C ATOM 1957 NZ LYS B 61 -9.598 5.387 13.397 1.00 0.00 N ATOM 0 H LYS B 61 -7.866 4.323 7.762 1.00 0.00 H new ATOM 0 HA LYS B 61 -7.740 1.843 9.419 1.00 0.00 H new ATOM 0 HB2 LYS B 61 -10.005 3.810 9.078 1.00 0.00 H new ATOM 0 HB3 LYS B 61 -10.119 2.259 9.884 1.00 0.00 H new ATOM 0 HG2 LYS B 61 -7.866 3.420 11.081 1.00 0.00 H new ATOM 0 HG3 LYS B 61 -8.933 4.790 10.846 1.00 0.00 H new ATOM 0 HD2 LYS B 61 -10.789 3.503 11.968 1.00 0.00 H new ATOM 0 HD3 LYS B 61 -9.675 2.181 12.253 1.00 0.00 H new ATOM 0 HE2 LYS B 61 -9.712 3.471 14.286 1.00 0.00 H new ATOM 0 HE3 LYS B 61 -8.177 3.825 13.517 1.00 0.00 H new ATOM 0 HZ1 LYS B 61 -9.466 5.789 14.347 1.00 0.00 H new ATOM 0 HZ2 LYS B 61 -8.979 5.881 12.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 61 -10.590 5.504 13.106 1.00 0.00 H new ATOM 1971 N ILE B 62 -8.564 2.376 6.394 1.00 0.00 N ATOM 1972 CA ILE B 62 -8.957 1.752 5.142 1.00 0.00 C ATOM 1973 C ILE B 62 -7.774 0.963 4.578 1.00 0.00 C ATOM 1974 O ILE B 62 -7.950 0.107 3.712 1.00 0.00 O ATOM 1975 CB ILE B 62 -9.516 2.797 4.175 1.00 0.00 C ATOM 1976 CG1 ILE B 62 -10.684 3.559 4.806 1.00 0.00 C ATOM 1977 CG2 ILE B 62 -9.904 2.157 2.840 1.00 0.00 C ATOM 1978 CD1 ILE B 62 -10.757 4.990 4.270 1.00 0.00 C ATOM 0 H ILE B 62 -8.147 3.302 6.297 1.00 0.00 H new ATOM 0 HA ILE B 62 -9.766 1.040 5.308 1.00 0.00 H new ATOM 0 HB ILE B 62 -8.731 3.524 3.968 1.00 0.00 H new ATOM 0 HG12 ILE B 62 -11.619 3.039 4.595 1.00 0.00 H new ATOM 0 HG13 ILE B 62 -10.568 3.578 5.890 1.00 0.00 H new ATOM 0 HG21 ILE B 62 -10.298 2.922 2.171 1.00 0.00 H new ATOM 0 HG22 ILE B 62 -9.025 1.697 2.388 1.00 0.00 H new ATOM 0 HG23 ILE B 62 -10.665 1.395 3.009 1.00 0.00 H new ATOM 0 HD11 ILE B 62 -11.595 5.510 4.734 1.00 0.00 H new ATOM 0 HD12 ILE B 62 -9.830 5.514 4.504 1.00 0.00 H new ATOM 0 HD13 ILE B 62 -10.898 4.967 3.189 1.00 0.00 H new ATOM 1990 N ILE B 63 -6.594 1.279 5.091 1.00 0.00 N ATOM 1991 CA ILE B 63 -5.382 0.609 4.649 1.00 0.00 C ATOM 1992 C ILE B 63 -5.103 -0.586 5.563 1.00 0.00 C ATOM 1993 O ILE B 63 -5.006 -1.719 5.095 1.00 0.00 O ATOM 1994 CB ILE B 63 -4.222 1.603 4.564 1.00 0.00 C ATOM 1995 CG1 ILE B 63 -4.350 2.491 3.325 1.00 0.00 C ATOM 1996 CG2 ILE B 63 -2.875 0.879 4.614 1.00 0.00 C ATOM 1997 CD1 ILE B 63 -3.704 3.858 3.561 1.00 0.00 C ATOM 0 H ILE B 63 -6.451 1.990 5.808 1.00 0.00 H new ATOM 0 HA ILE B 63 -5.509 0.216 3.640 1.00 0.00 H new ATOM 0 HB ILE B 63 -4.268 2.257 5.435 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -3.876 2.003 2.473 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.403 2.621 3.073 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -2.067 1.608 4.552 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -2.794 0.326 5.550 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -2.803 0.186 3.776 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -3.809 4.470 2.665 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -4.196 4.353 4.398 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -2.646 3.726 3.788 1.00 0.00 H new ATOM 2009 N GLU B 64 -4.980 -0.291 6.849 1.00 0.00 N ATOM 2010 CA GLU B 64 -4.714 -1.327 7.832 1.00 0.00 C ATOM 2011 C GLU B 64 -5.717 -2.472 7.682 1.00 0.00 C ATOM 2012 O GLU B 64 -5.374 -3.635 7.891 1.00 0.00 O ATOM 2013 CB GLU B 64 -4.741 -0.757 9.251 1.00 0.00 C ATOM 2014 CG GLU B 64 -3.582 0.218 9.473 1.00 0.00 C ATOM 2015 CD GLU B 64 -3.874 1.159 10.643 1.00 0.00 C ATOM 2016 OE1 GLU B 64 -4.649 0.740 11.529 1.00 0.00 O ATOM 2017 OE2 GLU B 64 -3.315 2.277 10.624 1.00 0.00 O ATOM 0 H GLU B 64 -5.060 0.651 7.233 1.00 0.00 H new ATOM 0 HA GLU B 64 -3.714 -1.721 7.653 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -5.688 -0.246 9.424 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -4.681 -1.570 9.974 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -2.666 -0.339 9.670 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -3.413 0.800 8.567 1.00 0.00 H new ATOM 2024 N LYS B 65 -6.938 -2.104 7.320 1.00 0.00 N ATOM 2025 CA LYS B 65 -7.994 -3.085 7.140 1.00 0.00 C ATOM 2026 C LYS B 65 -7.750 -3.857 5.841 1.00 0.00 C ATOM 2027 O LYS B 65 -8.029 -5.052 5.764 1.00 0.00 O ATOM 2028 CB LYS B 65 -9.367 -2.414 7.208 1.00 0.00 C ATOM 2029 CG LYS B 65 -9.808 -2.214 8.659 1.00 0.00 C ATOM 2030 CD LYS B 65 -10.277 -3.533 9.276 1.00 0.00 C ATOM 2031 CE LYS B 65 -9.839 -3.640 10.738 1.00 0.00 C ATOM 2032 NZ LYS B 65 -10.241 -4.947 11.305 1.00 0.00 N ATOM 0 H LYS B 65 -7.219 -1.139 7.147 1.00 0.00 H new ATOM 0 HA LYS B 65 -7.981 -3.812 7.952 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.331 -1.451 6.699 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.101 -3.025 6.682 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -8.980 -1.810 9.242 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -10.615 -1.482 8.700 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -11.363 -3.603 9.212 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -9.870 -4.370 8.708 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -8.758 -3.523 10.809 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -10.286 -2.832 11.318 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -9.936 -5.003 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -11.275 -5.044 11.254 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -9.794 -5.713 10.762 1.00 0.00 H new ATOM 2046 N MET B 66 -7.232 -3.142 4.853 1.00 0.00 N ATOM 2047 CA MET B 66 -6.948 -3.744 3.562 1.00 0.00 C ATOM 2048 C MET B 66 -5.906 -4.857 3.694 1.00 0.00 C ATOM 2049 O MET B 66 -5.981 -5.868 2.997 1.00 0.00 O ATOM 2050 CB MET B 66 -6.431 -2.672 2.601 1.00 0.00 C ATOM 2051 CG MET B 66 -7.413 -2.449 1.449 1.00 0.00 C ATOM 2052 SD MET B 66 -7.429 -3.875 0.375 1.00 0.00 S ATOM 2053 CE MET B 66 -5.696 -3.964 -0.047 1.00 0.00 C ATOM 0 H MET B 66 -7.002 -2.151 4.921 1.00 0.00 H new ATOM 0 HA MET B 66 -7.869 -4.178 3.174 1.00 0.00 H new ATOM 0 HB2 MET B 66 -6.280 -1.737 3.141 1.00 0.00 H new ATOM 0 HB3 MET B 66 -5.461 -2.972 2.204 1.00 0.00 H new ATOM 0 HG2 MET B 66 -8.413 -2.269 1.843 1.00 0.00 H new ATOM 0 HG3 MET B 66 -7.128 -1.561 0.884 1.00 0.00 H new ATOM 0 HE1 MET B 66 -5.551 -4.701 -0.837 1.00 0.00 H new ATOM 0 HE2 MET B 66 -5.355 -2.988 -0.394 1.00 0.00 H new ATOM 0 HE3 MET B 66 -5.122 -4.258 0.832 1.00 0.00 H new ATOM 2063 N LEU B 67 -4.958 -4.633 4.592 1.00 0.00 N ATOM 2064 CA LEU B 67 -3.903 -5.605 4.824 1.00 0.00 C ATOM 2065 C LEU B 67 -4.486 -6.823 5.543 1.00 0.00 C ATOM 2066 O LEU B 67 -3.859 -7.881 5.586 1.00 0.00 O ATOM 2067 CB LEU B 67 -2.731 -4.956 5.565 1.00 0.00 C ATOM 2068 CG LEU B 67 -1.788 -4.105 4.713 1.00 0.00 C ATOM 2069 CD1 LEU B 67 -2.560 -3.022 3.956 1.00 0.00 C ATOM 2070 CD2 LEU B 67 -0.661 -3.517 5.564 1.00 0.00 C ATOM 0 H LEU B 67 -4.898 -3.793 5.167 1.00 0.00 H new ATOM 0 HA LEU B 67 -3.496 -5.959 3.877 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -3.133 -4.330 6.362 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -2.147 -5.744 6.041 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.325 -4.751 3.967 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -1.866 -2.431 3.358 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -3.296 -3.490 3.302 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -3.069 -2.373 4.668 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -0.005 -2.916 4.934 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -1.086 -2.890 6.347 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -0.088 -4.326 6.018 1.00 0.00 H new ATOM 2082 N LYS B 68 -5.678 -6.634 6.088 1.00 0.00 N ATOM 2083 CA LYS B 68 -6.353 -7.704 6.803 1.00 0.00 C ATOM 2084 C LYS B 68 -7.450 -8.292 5.914 1.00 0.00 C ATOM 2085 O LYS B 68 -7.783 -9.471 6.030 1.00 0.00 O ATOM 2086 CB LYS B 68 -6.859 -7.208 8.159 1.00 0.00 C ATOM 2087 CG LYS B 68 -5.974 -7.721 9.296 1.00 0.00 C ATOM 2088 CD LYS B 68 -6.798 -7.978 10.559 1.00 0.00 C ATOM 2089 CE LYS B 68 -6.397 -9.300 11.217 1.00 0.00 C ATOM 2090 NZ LYS B 68 -5.682 -9.050 12.488 1.00 0.00 N ATOM 0 H LYS B 68 -6.194 -5.755 6.049 1.00 0.00 H new ATOM 0 HA LYS B 68 -5.656 -8.512 7.026 1.00 0.00 H new ATOM 0 HB2 LYS B 68 -6.874 -6.118 8.169 1.00 0.00 H new ATOM 0 HB3 LYS B 68 -7.885 -7.543 8.313 1.00 0.00 H new ATOM 0 HG2 LYS B 68 -5.477 -8.641 8.988 1.00 0.00 H new ATOM 0 HG3 LYS B 68 -5.192 -6.993 9.510 1.00 0.00 H new ATOM 0 HD2 LYS B 68 -6.655 -7.159 11.264 1.00 0.00 H new ATOM 0 HD3 LYS B 68 -7.858 -8.000 10.307 1.00 0.00 H new ATOM 0 HE2 LYS B 68 -7.285 -9.904 11.405 1.00 0.00 H new ATOM 0 HE3 LYS B 68 -5.761 -9.871 10.541 1.00 0.00 H new ATOM 0 HZ1 LYS B 68 -5.417 -9.957 12.922 1.00 0.00 H new ATOM 0 HZ2 LYS B 68 -4.824 -8.493 12.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 68 -6.301 -8.524 13.137 1.00 0.00 H new ATOM 2104 N ASN B 69 -7.982 -7.444 5.046 1.00 0.00 N ATOM 2105 CA ASN B 69 -9.036 -7.865 4.138 1.00 0.00 C ATOM 2106 C ASN B 69 -10.257 -8.305 4.949 1.00 0.00 C ATOM 2107 O ASN B 69 -11.221 -7.553 5.083 1.00 0.00 O ATOM 2108 CB ASN B 69 -8.584 -9.050 3.282 1.00 0.00 C ATOM 2109 CG ASN B 69 -9.760 -9.643 2.503 1.00 0.00 C ATOM 2110 OD1 ASN B 69 -10.426 -10.567 2.940 1.00 0.00 O ATOM 2111 ND2 ASN B 69 -9.977 -9.062 1.326 1.00 0.00 N ATOM 0 H ASN B 69 -7.703 -6.467 4.952 1.00 0.00 H new ATOM 0 HA ASN B 69 -9.279 -7.023 3.489 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -7.809 -8.727 2.587 1.00 0.00 H new ATOM 0 HB3 ASN B 69 -8.142 -9.816 3.919 1.00 0.00 H new ATOM 0 HD21 ASN B 69 -10.739 -9.386 0.730 1.00 0.00 H new ATOM 0 HD22 ASN B 69 -9.382 -8.292 1.020 1.00 0.00 H new