USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 TYR OH : rot 167:sc= -3.38! USER MOD Set 1.2: A 119 ASN : amide:sc= -0.167 K(o=-3.5,f=-5.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 163:sc= -0.169 (180deg=-0.733) USER MOD Single : A 5 GLN : amide:sc= -0.0869 X(o=-0.087,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.32! C(o=-8.3!,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -0.692 K(o=-0.69,f=-1.6) USER MOD Single : A 16 ASN : amide:sc= -3.81! C(o=-3.8!,f=-4!) USER MOD Single : A 21 THR OG1 : rot 9:sc= 0.986 USER MOD Single : A 31 ASN : amide:sc= -0.95 X(o=-0.95,f=-0.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 156:sc= -1.36 (180deg=-2.55!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 55 GLN : amide:sc= -0.0274 X(o=-0.027,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0196 USER MOD Single : A 63 GLN : amide:sc= -0.637 X(o=-0.64,f=-0.89) USER MOD Single : A 64 HIS :FLIP no HD1:sc= -17.1! C(o=-20!,f=-17!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -1.1 (180deg=-1.35!) USER MOD Single : A 79 HIS : no HE2:sc= -1.29 K(o=-1.3,f=-2.3) USER MOD Single : A 81 THR OG1 : rot -150:sc= -0.247 USER MOD Single : A 97 LYS NZ :NH3+ 161:sc= -0.0083 (180deg=-0.21) USER MOD Single : A 100 GLN : amide:sc= -2.6 K(o=-2.6,f=-4.4!) USER MOD Single : A 105 MET CE :methyl -158:sc= -1.35 (180deg=-1.58) USER MOD Single : A 106 SER OG : rot 180:sc= 0.088 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -170:sc= -1.29 (180deg=-1.6) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.652 -5.682 -1.597 1.00 0.00 N ATOM 21 CA LYS A 2 -20.554 -4.947 -2.212 1.00 0.00 C ATOM 22 C LYS A 2 -19.229 -5.673 -2.005 1.00 0.00 C ATOM 23 O LYS A 2 -19.019 -6.323 -0.982 1.00 0.00 O ATOM 24 CB LYS A 2 -20.471 -3.534 -1.630 1.00 0.00 C ATOM 25 CG LYS A 2 -19.876 -2.516 -2.589 1.00 0.00 C ATOM 26 CD LYS A 2 -18.409 -2.253 -2.285 1.00 0.00 C ATOM 27 CE LYS A 2 -18.226 -0.973 -1.486 1.00 0.00 C ATOM 28 NZ LYS A 2 -17.835 0.173 -2.353 1.00 0.00 N ATOM 0 HA LYS A 2 -20.748 -4.882 -3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.471 -3.209 -1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.870 -3.559 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.977 -2.877 -3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.435 -1.583 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -17.996 -3.093 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -17.850 -2.184 -3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.154 -0.734 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -17.463 -1.128 -0.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.720 1.026 -1.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.937 -0.043 -2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.575 0.338 -3.065 1.00 0.00 H new ATOM 42 N LYS A 3 -18.338 -5.556 -2.985 1.00 0.00 N ATOM 43 CA LYS A 3 -17.031 -6.200 -2.910 1.00 0.00 C ATOM 44 C LYS A 3 -15.943 -5.285 -3.459 1.00 0.00 C ATOM 45 O LYS A 3 -16.091 -4.704 -4.534 1.00 0.00 O ATOM 46 CB LYS A 3 -17.044 -7.523 -3.679 1.00 0.00 C ATOM 47 CG LYS A 3 -17.214 -7.355 -5.181 1.00 0.00 C ATOM 48 CD LYS A 3 -15.878 -7.418 -5.903 1.00 0.00 C ATOM 49 CE LYS A 3 -15.289 -8.817 -5.863 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.303 -9.857 -6.192 1.00 0.00 N ATOM 0 H LYS A 3 -18.497 -5.022 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.813 -6.403 -1.862 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.113 -8.055 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.853 -8.147 -3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.873 -8.135 -5.563 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.697 -6.400 -5.389 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.008 -7.107 -6.939 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.182 -6.716 -5.444 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -14.460 -8.882 -6.568 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.880 -9.010 -4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -15.822 -10.746 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -16.921 -10.012 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.876 -9.540 -7.000 1.00 0.00 H new ATOM 64 N LEU A 4 -14.854 -5.152 -2.708 1.00 0.00 N ATOM 65 CA LEU A 4 -13.747 -4.298 -3.120 1.00 0.00 C ATOM 66 C LEU A 4 -12.405 -4.869 -2.667 1.00 0.00 C ATOM 67 O LEU A 4 -12.214 -5.173 -1.490 1.00 0.00 O ATOM 68 CB LEU A 4 -13.938 -2.892 -2.550 1.00 0.00 C ATOM 69 CG LEU A 4 -13.954 -2.808 -1.023 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.587 -2.399 -0.498 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.022 -1.833 -0.551 1.00 0.00 C ATOM 0 H LEU A 4 -14.715 -5.623 -1.814 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.741 -4.252 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.139 -2.253 -2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.876 -2.487 -2.931 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.194 -3.795 -0.627 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.617 -2.344 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.844 -3.136 -0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.319 -1.423 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.017 -1.787 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.815 -0.843 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.000 -2.169 -0.896 1.00 0.00 H new ATOM 83 N GLN A 5 -11.479 -5.014 -3.611 1.00 0.00 N ATOM 84 CA GLN A 5 -10.155 -5.547 -3.314 1.00 0.00 C ATOM 85 C GLN A 5 -9.112 -4.441 -3.246 1.00 0.00 C ATOM 86 O GLN A 5 -9.265 -3.385 -3.860 1.00 0.00 O ATOM 87 CB GLN A 5 -9.739 -6.562 -4.372 1.00 0.00 C ATOM 88 CG GLN A 5 -10.774 -7.643 -4.587 1.00 0.00 C ATOM 89 CD GLN A 5 -10.214 -8.863 -5.293 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.689 -9.250 -6.360 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.198 -9.476 -4.698 1.00 0.00 N ATOM 0 H GLN A 5 -11.623 -4.769 -4.591 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.212 -6.034 -2.340 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.560 -6.045 -5.314 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.796 -7.022 -4.077 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.184 -7.944 -3.623 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.600 -7.238 -5.172 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.835 -9.121 -3.813 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.780 -10.302 -5.125 1.00 0.00 H new ATOM 100 N ILE A 6 -8.049 -4.703 -2.499 1.00 0.00 N ATOM 101 CA ILE A 6 -6.963 -3.746 -2.344 1.00 0.00 C ATOM 102 C ILE A 6 -5.624 -4.463 -2.203 1.00 0.00 C ATOM 103 O ILE A 6 -5.412 -5.217 -1.253 1.00 0.00 O ATOM 104 CB ILE A 6 -7.188 -2.835 -1.116 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.300 -1.823 -1.405 1.00 0.00 C ATOM 106 CG2 ILE A 6 -5.901 -2.117 -0.725 1.00 0.00 C ATOM 107 CD1 ILE A 6 -9.568 -2.084 -0.625 1.00 0.00 C ATOM 0 H ILE A 6 -7.915 -5.576 -1.988 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.947 -3.127 -3.241 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.492 -3.461 -0.277 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.939 -0.821 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.528 -1.840 -2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.087 -1.483 0.142 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.135 -2.852 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.560 -1.502 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.313 -1.330 -0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -9.953 -3.073 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -9.354 -2.038 0.443 1.00 0.00 H new ATOM 119 N ALA A 7 -4.715 -4.203 -3.133 1.00 0.00 N ATOM 120 CA ALA A 7 -3.391 -4.803 -3.086 1.00 0.00 C ATOM 121 C ALA A 7 -2.348 -3.710 -3.125 1.00 0.00 C ATOM 122 O ALA A 7 -2.368 -2.866 -4.011 1.00 0.00 O ATOM 123 CB ALA A 7 -3.188 -5.781 -4.231 1.00 0.00 C ATOM 0 H ALA A 7 -4.871 -3.582 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.292 -5.366 -2.158 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.189 -6.213 -4.168 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.931 -6.576 -4.167 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.298 -5.257 -5.181 1.00 0.00 H new ATOM 129 N VAL A 8 -1.450 -3.701 -2.158 1.00 0.00 N ATOM 130 CA VAL A 8 -0.434 -2.667 -2.109 1.00 0.00 C ATOM 131 C VAL A 8 0.945 -3.236 -1.824 1.00 0.00 C ATOM 132 O VAL A 8 1.086 -4.357 -1.337 1.00 0.00 O ATOM 133 CB VAL A 8 -0.772 -1.582 -1.056 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.238 -1.650 -0.650 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.129 -1.707 0.168 1.00 0.00 C ATOM 0 H VAL A 8 -1.403 -4.388 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.421 -2.208 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.591 -0.610 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.447 -0.877 0.090 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.866 -1.492 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.452 -2.629 -0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.130 -0.933 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.008 -2.688 0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.170 -1.589 -0.133 1.00 0.00 H new ATOM 145 N GLY A 9 1.954 -2.433 -2.119 1.00 0.00 N ATOM 146 CA GLY A 9 3.320 -2.831 -1.881 1.00 0.00 C ATOM 147 C GLY A 9 4.109 -1.720 -1.229 1.00 0.00 C ATOM 148 O GLY A 9 4.376 -0.692 -1.850 1.00 0.00 O ATOM 0 H GLY A 9 1.847 -1.503 -2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.338 -3.715 -1.244 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.790 -3.109 -2.824 1.00 0.00 H new ATOM 152 N ILE A 10 4.477 -1.921 0.026 1.00 0.00 N ATOM 153 CA ILE A 10 5.235 -0.918 0.761 1.00 0.00 C ATOM 154 C ILE A 10 6.653 -0.836 0.208 1.00 0.00 C ATOM 155 O ILE A 10 7.480 -1.708 0.468 1.00 0.00 O ATOM 156 CB ILE A 10 5.287 -1.219 2.278 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.064 -2.031 2.727 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.365 0.076 3.068 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.356 -3.502 2.929 1.00 0.00 C ATOM 0 H ILE A 10 4.265 -2.766 0.557 1.00 0.00 H new ATOM 0 HA ILE A 10 4.725 0.036 0.631 1.00 0.00 H new ATOM 0 HB ILE A 10 6.180 -1.813 2.470 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.683 -1.613 3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.274 -1.924 1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.401 -0.150 4.134 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.264 0.623 2.782 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.486 0.685 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.447 -4.013 3.246 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.708 -3.935 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 10 5.123 -3.619 3.694 1.00 0.00 H new ATOM 171 N ILE A 11 6.915 0.206 -0.582 1.00 0.00 N ATOM 172 CA ILE A 11 8.225 0.390 -1.210 1.00 0.00 C ATOM 173 C ILE A 11 9.296 0.785 -0.203 1.00 0.00 C ATOM 174 O ILE A 11 9.147 1.759 0.531 1.00 0.00 O ATOM 175 CB ILE A 11 8.192 1.450 -2.330 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.817 1.503 -3.004 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.275 1.147 -3.355 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.813 2.279 -4.303 1.00 0.00 C ATOM 0 H ILE A 11 6.238 0.936 -0.803 1.00 0.00 H new ATOM 0 HA ILE A 11 8.476 -0.580 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 11 8.380 2.427 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.476 0.486 -3.196 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.101 1.955 -2.317 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.249 1.898 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.251 1.165 -2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.102 0.161 -3.786 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.808 2.276 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.124 3.306 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.504 1.814 -5.006 1.00 0.00 H new ATOM 190 N ARG A 12 10.381 0.015 -0.186 1.00 0.00 N ATOM 191 CA ARG A 12 11.501 0.264 0.721 1.00 0.00 C ATOM 192 C ARG A 12 12.643 0.973 0.002 1.00 0.00 C ATOM 193 O ARG A 12 12.961 0.645 -1.146 1.00 0.00 O ATOM 194 CB ARG A 12 12.013 -1.052 1.307 1.00 0.00 C ATOM 195 CG ARG A 12 11.483 -1.343 2.698 1.00 0.00 C ATOM 196 CD ARG A 12 12.609 -1.484 3.710 1.00 0.00 C ATOM 197 NE ARG A 12 13.634 -2.425 3.262 1.00 0.00 N ATOM 198 CZ ARG A 12 14.569 -2.937 4.058 1.00 0.00 C ATOM 199 NH1 ARG A 12 14.613 -2.603 5.342 1.00 0.00 N ATOM 200 NH2 ARG A 12 15.462 -3.786 3.569 1.00 0.00 N ATOM 0 H ARG A 12 10.510 -0.793 -0.795 1.00 0.00 H new ATOM 0 HA ARG A 12 11.140 0.906 1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.734 -1.869 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.102 -1.026 1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.814 -0.541 3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.894 -2.260 2.679 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.064 -0.509 3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.200 -1.820 4.663 1.00 0.00 H new ATOM 0 HE ARG A 12 13.632 -2.706 2.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.928 -1.951 5.723 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.332 -2.999 5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.432 -4.046 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.179 -4.179 4.179 1.00 0.00 H new ATOM 214 N ASN A 13 13.257 1.940 0.686 1.00 0.00 N ATOM 215 CA ASN A 13 14.368 2.699 0.111 1.00 0.00 C ATOM 216 C ASN A 13 15.728 2.177 0.577 1.00 0.00 C ATOM 217 O ASN A 13 15.830 1.135 1.225 1.00 0.00 O ATOM 218 CB ASN A 13 14.245 4.194 0.426 1.00 0.00 C ATOM 219 CG ASN A 13 13.913 4.473 1.874 1.00 0.00 C ATOM 220 OD1 ASN A 13 12.770 4.318 2.299 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.910 4.913 2.632 1.00 0.00 N ATOM 0 H ASN A 13 13.005 2.215 1.635 1.00 0.00 H new ATOM 0 HA ASN A 13 14.309 2.561 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.182 4.690 0.173 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.472 4.630 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.744 5.139 3.613 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.842 5.025 2.234 1.00 0.00 H new ATOM 228 N GLU A 14 16.767 2.913 0.197 1.00 0.00 N ATOM 229 CA GLU A 14 18.156 2.572 0.504 1.00 0.00 C ATOM 230 C GLU A 14 18.509 2.688 1.991 1.00 0.00 C ATOM 231 O GLU A 14 19.634 2.377 2.383 1.00 0.00 O ATOM 232 CB GLU A 14 19.064 3.499 -0.304 1.00 0.00 C ATOM 233 CG GLU A 14 20.544 3.362 0.021 1.00 0.00 C ATOM 234 CD GLU A 14 21.436 3.849 -1.104 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.956 3.913 -2.255 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.614 4.164 -0.834 1.00 0.00 O ATOM 0 H GLU A 14 16.669 3.775 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 14 18.299 1.525 0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.917 3.299 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.759 4.531 -0.129 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.767 3.926 0.927 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.770 2.317 0.233 1.00 0.00 H new ATOM 243 N ASN A 15 17.579 3.149 2.814 1.00 0.00 N ATOM 244 CA ASN A 15 17.858 3.308 4.244 1.00 0.00 C ATOM 245 C ASN A 15 16.921 2.469 5.109 1.00 0.00 C ATOM 246 O ASN A 15 16.506 2.902 6.181 1.00 0.00 O ATOM 247 CB ASN A 15 17.754 4.783 4.635 1.00 0.00 C ATOM 248 CG ASN A 15 18.187 5.036 6.067 1.00 0.00 C ATOM 249 OD1 ASN A 15 18.979 4.280 6.630 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.666 6.102 6.663 1.00 0.00 N ATOM 0 H ASN A 15 16.637 3.417 2.528 1.00 0.00 H new ATOM 0 HA ASN A 15 18.873 2.952 4.422 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.371 5.378 3.962 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.725 5.118 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.919 6.322 7.626 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.013 6.701 6.157 1.00 0.00 H new ATOM 257 N ASN A 16 16.595 1.269 4.640 1.00 0.00 N ATOM 258 CA ASN A 16 15.704 0.368 5.372 1.00 0.00 C ATOM 259 C ASN A 16 14.378 1.049 5.722 1.00 0.00 C ATOM 260 O ASN A 16 13.613 0.555 6.552 1.00 0.00 O ATOM 261 CB ASN A 16 16.393 -0.165 6.639 1.00 0.00 C ATOM 262 CG ASN A 16 16.385 0.824 7.790 1.00 0.00 C ATOM 263 OD1 ASN A 16 17.377 1.512 8.039 1.00 0.00 O ATOM 264 ND2 ASN A 16 15.265 0.900 8.500 1.00 0.00 N ATOM 0 H ASN A 16 16.934 0.895 3.754 1.00 0.00 H new ATOM 0 HA ASN A 16 15.478 -0.475 4.719 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.897 -1.083 6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.424 -0.426 6.401 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.203 1.547 9.286 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.467 0.312 8.259 1.00 0.00 H new ATOM 271 N GLU A 17 14.096 2.168 5.062 1.00 0.00 N ATOM 272 CA GLU A 17 12.853 2.889 5.281 1.00 0.00 C ATOM 273 C GLU A 17 11.900 2.584 4.139 1.00 0.00 C ATOM 274 O GLU A 17 12.320 2.102 3.088 1.00 0.00 O ATOM 275 CB GLU A 17 13.082 4.400 5.394 1.00 0.00 C ATOM 276 CG GLU A 17 14.428 4.782 5.985 1.00 0.00 C ATOM 277 CD GLU A 17 14.580 4.335 7.426 1.00 0.00 C ATOM 278 OE1 GLU A 17 14.002 3.287 7.785 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.276 5.031 8.194 1.00 0.00 O ATOM 0 H GLU A 17 14.714 2.593 4.371 1.00 0.00 H new ATOM 0 HA GLU A 17 12.423 2.559 6.227 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.993 4.845 4.403 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.292 4.831 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.223 4.339 5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.552 5.864 5.929 1.00 0.00 H new ATOM 286 N ILE A 18 10.621 2.829 4.348 1.00 0.00 N ATOM 287 CA ILE A 18 9.630 2.543 3.328 1.00 0.00 C ATOM 288 C ILE A 18 8.864 3.801 2.911 1.00 0.00 C ATOM 289 O ILE A 18 8.385 4.563 3.751 1.00 0.00 O ATOM 290 CB ILE A 18 8.669 1.445 3.831 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.505 0.347 2.781 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.319 2.024 4.232 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.370 -1.037 3.380 1.00 0.00 C ATOM 0 H ILE A 18 10.245 3.223 5.210 1.00 0.00 H new ATOM 0 HA ILE A 18 10.147 2.182 2.439 1.00 0.00 H new ATOM 0 HB ILE A 18 9.111 1.001 4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.624 0.561 2.176 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.364 0.363 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.668 1.222 4.581 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.458 2.752 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.863 2.513 3.371 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.257 -1.770 2.581 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.261 -1.270 3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.494 -1.069 4.028 1.00 0.00 H new ATOM 305 N PHE A 19 8.765 4.008 1.602 1.00 0.00 N ATOM 306 CA PHE A 19 8.071 5.164 1.047 1.00 0.00 C ATOM 307 C PHE A 19 6.567 4.908 0.975 1.00 0.00 C ATOM 308 O PHE A 19 6.110 4.015 0.263 1.00 0.00 O ATOM 309 CB PHE A 19 8.647 5.485 -0.342 1.00 0.00 C ATOM 310 CG PHE A 19 7.667 6.061 -1.330 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.786 5.239 -2.016 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.639 7.424 -1.582 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.893 5.765 -2.930 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.751 7.954 -2.497 1.00 0.00 C ATOM 315 CZ PHE A 19 5.876 7.124 -3.172 1.00 0.00 C ATOM 0 H PHE A 19 9.161 3.383 0.900 1.00 0.00 H new ATOM 0 HA PHE A 19 8.224 6.024 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.471 6.188 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.067 4.571 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.798 4.175 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.319 8.078 -1.057 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.209 5.114 -3.454 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.740 9.017 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.180 7.538 -3.887 1.00 0.00 H new ATOM 325 N ILE A 20 5.803 5.697 1.722 1.00 0.00 N ATOM 326 CA ILE A 20 4.355 5.561 1.746 1.00 0.00 C ATOM 327 C ILE A 20 3.687 6.909 1.505 1.00 0.00 C ATOM 328 O ILE A 20 4.208 7.950 1.907 1.00 0.00 O ATOM 329 CB ILE A 20 3.855 4.984 3.090 1.00 0.00 C ATOM 330 CG1 ILE A 20 5.020 4.754 4.059 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.098 3.686 2.859 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.579 4.462 5.476 1.00 0.00 C ATOM 0 H ILE A 20 6.166 6.439 2.320 1.00 0.00 H new ATOM 0 HA ILE A 20 4.087 4.867 0.949 1.00 0.00 H new ATOM 0 HB ILE A 20 3.179 5.712 3.539 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.625 3.923 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.660 5.636 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.752 3.292 3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.241 3.875 2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.758 2.960 2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.456 4.310 6.106 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.000 5.303 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.964 3.562 5.487 1.00 0.00 H new ATOM 344 N THR A 21 2.530 6.888 0.855 1.00 0.00 N ATOM 345 CA THR A 21 1.797 8.116 0.574 1.00 0.00 C ATOM 346 C THR A 21 1.211 8.687 1.860 1.00 0.00 C ATOM 347 O THR A 21 0.309 8.099 2.454 1.00 0.00 O ATOM 348 CB THR A 21 0.683 7.854 -0.440 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.355 7.088 0.144 1.00 0.00 O ATOM 350 CG2 THR A 21 1.158 7.117 -1.673 1.00 0.00 C ATOM 0 H THR A 21 2.081 6.038 0.514 1.00 0.00 H new ATOM 0 HA THR A 21 2.490 8.842 0.150 1.00 0.00 H new ATOM 0 HB THR A 21 0.327 8.840 -0.740 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.199 7.007 1.108 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.319 6.963 -2.351 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.927 7.705 -2.175 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.571 6.151 -1.383 1.00 0.00 H new ATOM 358 N ARG A 22 1.732 9.833 2.287 1.00 0.00 N ATOM 359 CA ARG A 22 1.262 10.477 3.509 1.00 0.00 C ATOM 360 C ARG A 22 0.784 11.894 3.225 1.00 0.00 C ATOM 361 O ARG A 22 1.510 12.700 2.644 1.00 0.00 O ATOM 362 CB ARG A 22 2.377 10.502 4.557 1.00 0.00 C ATOM 363 CG ARG A 22 1.963 11.144 5.871 1.00 0.00 C ATOM 364 CD ARG A 22 3.172 11.547 6.699 1.00 0.00 C ATOM 365 NE ARG A 22 3.802 10.398 7.344 1.00 0.00 N ATOM 366 CZ ARG A 22 5.003 10.436 7.917 1.00 0.00 C ATOM 367 NH1 ARG A 22 5.706 11.561 7.927 1.00 0.00 N ATOM 368 NH2 ARG A 22 5.501 9.345 8.482 1.00 0.00 N ATOM 0 H ARG A 22 2.479 10.334 1.806 1.00 0.00 H new ATOM 0 HA ARG A 22 0.422 9.900 3.896 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.707 9.481 4.749 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.233 11.042 4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.349 12.022 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.347 10.447 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.899 12.047 6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.867 12.267 7.459 1.00 0.00 H new ATOM 0 HE ARG A 22 3.292 9.515 7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.327 12.403 7.494 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.626 11.584 8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 22 4.964 8.478 8.477 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.421 9.373 8.921 1.00 0.00 H new ATOM 493 N ASN A 31 -4.772 12.023 7.255 1.00 0.00 N ATOM 494 CA ASN A 31 -5.225 10.679 7.599 1.00 0.00 C ATOM 495 C ASN A 31 -5.217 9.750 6.384 1.00 0.00 C ATOM 496 O ASN A 31 -5.966 8.774 6.339 1.00 0.00 O ATOM 497 CB ASN A 31 -6.632 10.736 8.196 1.00 0.00 C ATOM 498 CG ASN A 31 -6.853 9.676 9.258 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.614 8.491 9.028 1.00 0.00 O ATOM 500 ND2 ASN A 31 -7.312 10.100 10.430 1.00 0.00 N ATOM 0 HA ASN A 31 -4.530 10.275 8.335 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.800 11.722 8.630 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.367 10.608 7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.480 9.433 11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.496 11.092 10.577 1.00 0.00 H new ATOM 507 N LYS A 32 -4.375 10.055 5.397 1.00 0.00 N ATOM 508 CA LYS A 32 -4.292 9.235 4.189 1.00 0.00 C ATOM 509 C LYS A 32 -2.936 8.549 4.063 1.00 0.00 C ATOM 510 O LYS A 32 -2.490 8.233 2.959 1.00 0.00 O ATOM 511 CB LYS A 32 -4.581 10.079 2.942 1.00 0.00 C ATOM 512 CG LYS A 32 -3.420 10.962 2.509 1.00 0.00 C ATOM 513 CD LYS A 32 -3.647 11.540 1.122 1.00 0.00 C ATOM 514 CE LYS A 32 -4.262 12.930 1.187 1.00 0.00 C ATOM 515 NZ LYS A 32 -5.683 12.930 0.740 1.00 0.00 N ATOM 0 H LYS A 32 -3.745 10.857 5.409 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.050 8.456 4.271 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.845 9.414 2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.450 10.708 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.291 11.773 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.498 10.381 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.698 11.586 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.301 10.878 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.203 13.306 2.208 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.685 13.612 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.066 13.895 0.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.738 12.596 -0.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.239 12.299 1.352 1.00 0.00 H new ATOM 529 N LEU A 33 -2.288 8.329 5.193 1.00 0.00 N ATOM 530 CA LEU A 33 -0.978 7.683 5.211 1.00 0.00 C ATOM 531 C LEU A 33 -1.080 6.223 4.771 1.00 0.00 C ATOM 532 O LEU A 33 -0.844 5.309 5.559 1.00 0.00 O ATOM 533 CB LEU A 33 -0.362 7.764 6.609 1.00 0.00 C ATOM 534 CG LEU A 33 1.165 7.680 6.649 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.671 7.809 8.078 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.643 6.375 6.030 1.00 0.00 C ATOM 0 H LEU A 33 -2.644 8.587 6.114 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.335 8.211 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.671 8.701 7.072 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.771 6.957 7.217 1.00 0.00 H new ATOM 0 HG LEU A 33 1.570 8.507 6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.759 7.747 8.086 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.360 8.769 8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.257 7.003 8.685 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.732 6.332 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.228 5.535 6.586 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.313 6.322 4.993 1.00 0.00 H new ATOM 548 N GLU A 34 -1.432 6.012 3.506 1.00 0.00 N ATOM 549 CA GLU A 34 -1.567 4.664 2.966 1.00 0.00 C ATOM 550 C GLU A 34 -0.413 4.327 2.028 1.00 0.00 C ATOM 551 O GLU A 34 0.573 5.060 1.951 1.00 0.00 O ATOM 552 CB GLU A 34 -2.900 4.517 2.231 1.00 0.00 C ATOM 553 CG GLU A 34 -3.571 3.171 2.452 1.00 0.00 C ATOM 554 CD GLU A 34 -5.080 3.281 2.553 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.633 4.304 2.098 1.00 0.00 O ATOM 556 OE2 GLU A 34 -5.708 2.343 3.086 1.00 0.00 O ATOM 0 H GLU A 34 -1.629 6.756 2.837 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.541 3.965 3.802 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.575 5.308 2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.734 4.660 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.313 2.502 1.631 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.181 2.721 3.365 1.00 0.00 H new ATOM 563 N PHE A 35 -0.541 3.205 1.325 1.00 0.00 N ATOM 564 CA PHE A 35 0.496 2.761 0.399 1.00 0.00 C ATOM 565 C PHE A 35 -0.032 2.669 -1.033 1.00 0.00 C ATOM 566 O PHE A 35 -1.237 2.742 -1.271 1.00 0.00 O ATOM 567 CB PHE A 35 1.061 1.400 0.821 1.00 0.00 C ATOM 568 CG PHE A 35 0.786 1.029 2.253 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.497 0.715 2.669 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.815 0.991 3.178 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.748 0.371 3.984 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.571 0.650 4.493 1.00 0.00 C ATOM 573 CZ PHE A 35 0.288 0.339 4.896 1.00 0.00 C ATOM 0 H PHE A 35 -1.351 2.588 1.379 1.00 0.00 H new ATOM 0 HA PHE A 35 1.291 3.506 0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.643 0.630 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.139 1.402 0.660 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.310 0.739 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.821 1.231 2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.752 0.128 4.297 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.382 0.627 5.205 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.095 0.071 5.924 1.00 0.00 H new ATOM 583 N PRO A 36 0.883 2.507 -2.004 1.00 0.00 N ATOM 584 CA PRO A 36 0.543 2.404 -3.422 1.00 0.00 C ATOM 585 C PRO A 36 0.154 0.988 -3.841 1.00 0.00 C ATOM 586 O PRO A 36 0.391 0.025 -3.114 1.00 0.00 O ATOM 587 CB PRO A 36 1.842 2.818 -4.106 1.00 0.00 C ATOM 588 CG PRO A 36 2.913 2.343 -3.185 1.00 0.00 C ATOM 589 CD PRO A 36 2.342 2.416 -1.790 1.00 0.00 C ATOM 0 HA PRO A 36 -0.322 3.015 -3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.935 2.362 -5.092 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.890 3.898 -4.248 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.211 1.323 -3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.804 2.965 -3.273 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.605 1.535 -1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.721 3.283 -1.249 1.00 0.00 H new ATOM 597 N GLY A 37 -0.427 0.874 -5.029 1.00 0.00 N ATOM 598 CA GLY A 37 -0.836 -0.418 -5.553 1.00 0.00 C ATOM 599 C GLY A 37 -2.327 -0.692 -5.435 1.00 0.00 C ATOM 600 O GLY A 37 -2.814 -1.684 -5.963 1.00 0.00 O ATOM 0 H GLY A 37 -0.624 1.662 -5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.548 -0.480 -6.602 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.291 -1.201 -5.026 1.00 0.00 H new ATOM 604 N GLY A 38 -3.053 0.192 -4.774 1.00 0.00 N ATOM 605 CA GLY A 38 -4.488 0.024 -4.629 1.00 0.00 C ATOM 606 C GLY A 38 -5.212 0.027 -5.965 1.00 0.00 C ATOM 607 O GLY A 38 -4.628 0.392 -6.987 1.00 0.00 O ATOM 0 H GLY A 38 -2.675 1.029 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.690 -0.914 -4.112 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.883 0.825 -4.004 1.00 0.00 H new ATOM 611 N LYS A 39 -6.489 -0.378 -5.953 1.00 0.00 N ATOM 612 CA LYS A 39 -7.310 -0.420 -7.162 1.00 0.00 C ATOM 613 C LYS A 39 -7.072 -1.695 -7.964 1.00 0.00 C ATOM 614 O LYS A 39 -7.674 -1.891 -9.020 1.00 0.00 O ATOM 615 CB LYS A 39 -7.066 0.804 -8.042 1.00 0.00 C ATOM 616 CG LYS A 39 -8.057 0.921 -9.183 1.00 0.00 C ATOM 617 CD LYS A 39 -8.778 2.260 -9.161 1.00 0.00 C ATOM 618 CE LYS A 39 -9.805 2.321 -8.040 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.174 2.590 -6.715 1.00 0.00 N ATOM 0 H LYS A 39 -6.975 -0.683 -5.110 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.350 -0.413 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.120 1.703 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.056 0.756 -8.449 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.535 0.803 -10.133 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.786 0.113 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.052 3.063 -9.035 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.272 2.424 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.534 3.101 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.350 1.378 -7.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.875 3.018 -6.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.833 1.697 -6.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.374 3.243 -6.838 1.00 0.00 H new ATOM 633 N ILE A 40 -6.209 -2.571 -7.456 1.00 0.00 N ATOM 634 CA ILE A 40 -5.924 -3.834 -8.133 1.00 0.00 C ATOM 635 C ILE A 40 -7.215 -4.579 -8.432 1.00 0.00 C ATOM 636 O ILE A 40 -7.301 -5.364 -9.378 1.00 0.00 O ATOM 637 CB ILE A 40 -4.989 -4.729 -7.298 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.745 -5.401 -6.139 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.827 -3.902 -6.779 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.404 -6.865 -5.963 1.00 0.00 C ATOM 0 H ILE A 40 -5.698 -2.432 -6.584 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.418 -3.595 -9.069 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.605 -5.524 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.521 -4.870 -5.214 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.817 -5.304 -6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.165 -4.535 -6.188 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.274 -3.484 -7.620 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.206 -3.092 -6.156 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.974 -7.273 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.654 -7.409 -6.874 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.338 -6.968 -5.760 1.00 0.00 H new ATOM 652 N GLU A 41 -8.213 -4.308 -7.603 1.00 0.00 N ATOM 653 CA GLU A 41 -9.531 -4.913 -7.722 1.00 0.00 C ATOM 654 C GLU A 41 -9.957 -5.011 -9.179 1.00 0.00 C ATOM 655 O GLU A 41 -10.169 -6.107 -9.695 1.00 0.00 O ATOM 656 CB GLU A 41 -10.545 -4.084 -6.931 1.00 0.00 C ATOM 657 CG GLU A 41 -10.328 -2.577 -7.039 1.00 0.00 C ATOM 658 CD GLU A 41 -11.430 -1.881 -7.815 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.598 -2.309 -7.701 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.124 -0.908 -8.535 1.00 0.00 O ATOM 0 H GLU A 41 -8.130 -3.657 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.489 -5.924 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.549 -4.323 -7.283 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.497 -4.374 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.269 -2.150 -6.038 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.371 -2.386 -7.524 1.00 0.00 H new ATOM 667 N MET A 42 -10.067 -3.849 -9.827 1.00 0.00 N ATOM 668 CA MET A 42 -10.457 -3.749 -11.242 1.00 0.00 C ATOM 669 C MET A 42 -10.978 -5.077 -11.801 1.00 0.00 C ATOM 670 O MET A 42 -12.187 -5.294 -11.881 1.00 0.00 O ATOM 671 CB MET A 42 -9.268 -3.260 -12.078 1.00 0.00 C ATOM 672 CG MET A 42 -9.476 -1.880 -12.676 1.00 0.00 C ATOM 673 SD MET A 42 -7.997 -0.853 -12.593 1.00 0.00 S ATOM 674 CE MET A 42 -7.271 -1.170 -14.199 1.00 0.00 C ATOM 0 H MET A 42 -9.888 -2.946 -9.387 1.00 0.00 H new ATOM 0 HA MET A 42 -11.274 -3.030 -11.302 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.375 -3.246 -11.452 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.082 -3.972 -12.882 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.784 -1.983 -13.717 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.290 -1.380 -12.151 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.346 -0.603 -14.298 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.057 -2.234 -14.298 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.968 -0.866 -14.980 1.00 0.00 H new ATOM 684 N GLY A 43 -10.058 -5.959 -12.186 1.00 0.00 N ATOM 685 CA GLY A 43 -10.448 -7.247 -12.730 1.00 0.00 C ATOM 686 C GLY A 43 -9.266 -8.145 -13.019 1.00 0.00 C ATOM 687 O GLY A 43 -9.293 -8.943 -13.957 1.00 0.00 O ATOM 0 H GLY A 43 -9.051 -5.804 -12.131 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.114 -7.746 -12.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.013 -7.092 -13.649 1.00 0.00 H new ATOM 691 N GLU A 44 -8.230 -8.009 -12.214 1.00 0.00 N ATOM 692 CA GLU A 44 -7.019 -8.808 -12.380 1.00 0.00 C ATOM 693 C GLU A 44 -7.064 -10.065 -11.514 1.00 0.00 C ATOM 694 O GLU A 44 -8.085 -10.364 -10.894 1.00 0.00 O ATOM 695 CB GLU A 44 -5.787 -7.973 -12.030 1.00 0.00 C ATOM 696 CG GLU A 44 -5.140 -7.309 -13.236 1.00 0.00 C ATOM 697 CD GLU A 44 -5.954 -6.144 -13.765 1.00 0.00 C ATOM 698 OE1 GLU A 44 -5.967 -5.081 -13.106 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.577 -6.291 -14.836 1.00 0.00 O ATOM 0 H GLU A 44 -8.197 -7.352 -11.434 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.958 -9.118 -13.423 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.071 -7.204 -11.311 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.052 -8.612 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.145 -6.958 -12.963 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.012 -8.047 -14.028 1.00 0.00 H new ATOM 706 N THR A 45 -5.951 -10.796 -11.473 1.00 0.00 N ATOM 707 CA THR A 45 -5.868 -12.017 -10.681 1.00 0.00 C ATOM 708 C THR A 45 -5.118 -11.754 -9.379 1.00 0.00 C ATOM 709 O THR A 45 -4.285 -10.855 -9.310 1.00 0.00 O ATOM 710 CB THR A 45 -5.163 -13.119 -11.481 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.932 -12.703 -12.816 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.942 -14.415 -11.534 1.00 0.00 C ATOM 0 H THR A 45 -5.097 -10.562 -11.979 1.00 0.00 H new ATOM 0 HA THR A 45 -6.879 -12.346 -10.442 1.00 0.00 H new ATOM 0 HB THR A 45 -4.225 -13.299 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.480 -13.420 -13.308 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.386 -15.150 -12.115 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.092 -14.791 -10.522 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.910 -14.239 -12.003 1.00 0.00 H new ATOM 720 N PRO A 46 -5.392 -12.540 -8.326 1.00 0.00 N ATOM 721 CA PRO A 46 -4.732 -12.387 -7.030 1.00 0.00 C ATOM 722 C PRO A 46 -3.223 -12.173 -7.160 1.00 0.00 C ATOM 723 O PRO A 46 -2.593 -11.601 -6.270 1.00 0.00 O ATOM 724 CB PRO A 46 -5.031 -13.713 -6.308 1.00 0.00 C ATOM 725 CG PRO A 46 -5.737 -14.576 -7.306 1.00 0.00 C ATOM 726 CD PRO A 46 -6.357 -13.641 -8.300 1.00 0.00 C ATOM 0 HA PRO A 46 -5.094 -11.509 -6.496 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.111 -14.186 -5.964 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.652 -13.547 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.040 -15.257 -7.794 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.497 -15.190 -6.822 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.473 -14.105 -9.279 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.346 -13.309 -7.986 1.00 0.00 H new ATOM 734 N GLU A 47 -2.648 -12.643 -8.264 1.00 0.00 N ATOM 735 CA GLU A 47 -1.213 -12.508 -8.493 1.00 0.00 C ATOM 736 C GLU A 47 -0.891 -11.359 -9.452 1.00 0.00 C ATOM 737 O GLU A 47 0.046 -10.596 -9.217 1.00 0.00 O ATOM 738 CB GLU A 47 -0.646 -13.818 -9.044 1.00 0.00 C ATOM 739 CG GLU A 47 0.150 -14.613 -8.021 1.00 0.00 C ATOM 740 CD GLU A 47 -0.688 -15.663 -7.319 1.00 0.00 C ATOM 741 OE1 GLU A 47 -1.653 -16.161 -7.936 1.00 0.00 O ATOM 742 OE2 GLU A 47 -0.380 -15.988 -6.153 1.00 0.00 O ATOM 0 H GLU A 47 -3.152 -13.119 -9.012 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.748 -12.279 -7.534 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.467 -14.434 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.006 -13.597 -9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.991 -15.097 -8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.566 -13.931 -7.280 1.00 0.00 H new ATOM 749 N GLN A 48 -1.654 -11.246 -10.538 1.00 0.00 N ATOM 750 CA GLN A 48 -1.421 -10.197 -11.525 1.00 0.00 C ATOM 751 C GLN A 48 -2.009 -8.862 -11.077 1.00 0.00 C ATOM 752 O GLN A 48 -1.607 -7.806 -11.559 1.00 0.00 O ATOM 753 CB GLN A 48 -2.016 -10.600 -12.875 1.00 0.00 C ATOM 754 CG GLN A 48 -1.473 -11.915 -13.411 1.00 0.00 C ATOM 755 CD GLN A 48 -1.265 -11.890 -14.912 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.196 -11.635 -15.675 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.037 -12.157 -15.344 1.00 0.00 N ATOM 0 H GLN A 48 -2.435 -11.865 -10.755 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.343 -10.073 -11.626 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.099 -10.677 -12.777 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.817 -9.811 -13.601 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.526 -12.140 -12.920 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.163 -12.720 -13.157 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.705 -12.363 -14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.163 -12.156 -16.344 1.00 0.00 H new ATOM 766 N ALA A 49 -2.962 -8.915 -10.156 1.00 0.00 N ATOM 767 CA ALA A 49 -3.601 -7.706 -9.652 1.00 0.00 C ATOM 768 C ALA A 49 -2.571 -6.739 -9.086 1.00 0.00 C ATOM 769 O ALA A 49 -2.579 -5.552 -9.406 1.00 0.00 O ATOM 770 CB ALA A 49 -4.640 -8.061 -8.598 1.00 0.00 C ATOM 0 H ALA A 49 -3.309 -9.781 -9.743 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.102 -7.211 -10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.110 -7.149 -8.229 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.399 -8.708 -9.038 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.156 -8.580 -7.771 1.00 0.00 H new ATOM 776 N VAL A 50 -1.684 -7.255 -8.246 1.00 0.00 N ATOM 777 CA VAL A 50 -0.644 -6.432 -7.643 1.00 0.00 C ATOM 778 C VAL A 50 0.492 -6.179 -8.629 1.00 0.00 C ATOM 779 O VAL A 50 0.948 -5.049 -8.790 1.00 0.00 O ATOM 780 CB VAL A 50 -0.072 -7.077 -6.353 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.151 -7.850 -5.609 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.116 -7.983 -6.661 1.00 0.00 C ATOM 0 H VAL A 50 -1.663 -8.236 -7.967 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.109 -5.483 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 50 0.280 -6.269 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.726 -8.293 -4.708 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.959 -7.173 -5.333 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.542 -8.639 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.492 -8.418 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.801 -8.780 -7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.906 -7.399 -7.134 1.00 0.00 H new ATOM 792 N VAL A 51 0.950 -7.250 -9.270 1.00 0.00 N ATOM 793 CA VAL A 51 2.046 -7.172 -10.226 1.00 0.00 C ATOM 794 C VAL A 51 1.715 -6.241 -11.382 1.00 0.00 C ATOM 795 O VAL A 51 2.546 -5.433 -11.796 1.00 0.00 O ATOM 796 CB VAL A 51 2.398 -8.568 -10.780 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.618 -8.501 -11.686 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.627 -9.551 -9.640 1.00 0.00 C ATOM 0 H VAL A 51 0.574 -8.189 -9.142 1.00 0.00 H new ATOM 0 HA VAL A 51 2.906 -6.771 -9.690 1.00 0.00 H new ATOM 0 HB VAL A 51 1.556 -8.921 -11.376 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.846 -9.498 -12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.413 -7.834 -12.523 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.470 -8.124 -11.121 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.874 -10.531 -10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.449 -9.200 -9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.722 -9.627 -9.038 1.00 0.00 H new ATOM 808 N ARG A 52 0.502 -6.355 -11.908 1.00 0.00 N ATOM 809 CA ARG A 52 0.089 -5.515 -13.019 1.00 0.00 C ATOM 810 C ARG A 52 -0.166 -4.088 -12.553 1.00 0.00 C ATOM 811 O ARG A 52 0.207 -3.127 -13.225 1.00 0.00 O ATOM 812 CB ARG A 52 -1.163 -6.077 -13.697 1.00 0.00 C ATOM 813 CG ARG A 52 -0.943 -7.434 -14.347 1.00 0.00 C ATOM 814 CD ARG A 52 -2.169 -7.886 -15.126 1.00 0.00 C ATOM 815 NE ARG A 52 -2.330 -7.144 -16.376 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.015 -6.006 -16.484 1.00 0.00 C ATOM 817 NH1 ARG A 52 -3.598 -5.465 -15.422 1.00 0.00 N ATOM 818 NH2 ARG A 52 -3.114 -5.405 -17.663 1.00 0.00 N ATOM 0 H ARG A 52 -0.205 -7.015 -11.585 1.00 0.00 H new ATOM 0 HA ARG A 52 0.901 -5.506 -13.746 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.960 -6.162 -12.958 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.504 -5.371 -14.454 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.084 -7.383 -15.016 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.706 -8.171 -13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.087 -8.951 -15.345 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.058 -7.755 -14.510 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.891 -7.520 -17.216 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.524 -5.920 -14.512 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.120 -4.594 -15.515 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.667 -5.814 -18.483 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.638 -4.534 -17.749 1.00 0.00 H new ATOM 832 N GLU A 53 -0.798 -3.960 -11.393 1.00 0.00 N ATOM 833 CA GLU A 53 -1.097 -2.653 -10.829 1.00 0.00 C ATOM 834 C GLU A 53 0.167 -1.996 -10.283 1.00 0.00 C ATOM 835 O GLU A 53 0.210 -0.783 -10.095 1.00 0.00 O ATOM 836 CB GLU A 53 -2.141 -2.778 -9.719 1.00 0.00 C ATOM 837 CG GLU A 53 -2.805 -1.459 -9.358 1.00 0.00 C ATOM 838 CD GLU A 53 -4.154 -1.279 -10.028 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.642 -2.243 -10.653 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.722 -0.171 -9.925 1.00 0.00 O ATOM 0 H GLU A 53 -1.113 -4.747 -10.825 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.498 -2.025 -11.624 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.907 -3.488 -10.030 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.666 -3.192 -8.829 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.931 -1.405 -8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.149 -0.637 -9.644 1.00 0.00 H new ATOM 847 N LEU A 54 1.194 -2.804 -10.024 1.00 0.00 N ATOM 848 CA LEU A 54 2.451 -2.290 -9.496 1.00 0.00 C ATOM 849 C LEU A 54 3.070 -1.279 -10.451 1.00 0.00 C ATOM 850 O LEU A 54 3.523 -0.216 -10.033 1.00 0.00 O ATOM 851 CB LEU A 54 3.433 -3.434 -9.250 1.00 0.00 C ATOM 852 CG LEU A 54 4.255 -3.311 -7.971 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.352 -3.096 -6.766 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.116 -4.545 -7.784 1.00 0.00 C ATOM 0 H LEU A 54 1.178 -3.813 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 54 2.238 -1.791 -8.551 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.876 -4.371 -9.218 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.115 -3.497 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 54 4.907 -2.442 -8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.961 -3.011 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.776 -2.181 -6.902 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.672 -3.942 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.699 -4.447 -6.868 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.479 -5.427 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.791 -4.650 -8.634 1.00 0.00 H new ATOM 866 N GLN A 55 3.074 -1.607 -11.737 1.00 0.00 N ATOM 867 CA GLN A 55 3.625 -0.711 -12.741 1.00 0.00 C ATOM 868 C GLN A 55 2.777 0.549 -12.814 1.00 0.00 C ATOM 869 O GLN A 55 3.289 1.652 -13.006 1.00 0.00 O ATOM 870 CB GLN A 55 3.672 -1.402 -14.107 1.00 0.00 C ATOM 871 CG GLN A 55 5.083 -1.636 -14.621 1.00 0.00 C ATOM 872 CD GLN A 55 5.131 -2.638 -15.758 1.00 0.00 C ATOM 873 OE1 GLN A 55 5.935 -3.570 -15.747 1.00 0.00 O ATOM 874 NE2 GLN A 55 4.266 -2.450 -16.749 1.00 0.00 N ATOM 0 H GLN A 55 2.704 -2.483 -12.106 1.00 0.00 H new ATOM 0 HA GLN A 55 4.644 -0.443 -12.461 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.155 -2.359 -14.039 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.126 -0.796 -14.830 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.505 -0.689 -14.958 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.710 -1.990 -13.803 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.617 -1.664 -16.717 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.251 -3.092 -17.542 1.00 0.00 H new ATOM 883 N GLU A 56 1.473 0.369 -12.643 1.00 0.00 N ATOM 884 CA GLU A 56 0.533 1.479 -12.669 1.00 0.00 C ATOM 885 C GLU A 56 0.573 2.253 -11.365 1.00 0.00 C ATOM 886 O GLU A 56 0.203 3.425 -11.321 1.00 0.00 O ATOM 887 CB GLU A 56 -0.886 0.968 -12.892 1.00 0.00 C ATOM 888 CG GLU A 56 -1.920 2.074 -13.020 1.00 0.00 C ATOM 889 CD GLU A 56 -3.093 1.890 -12.075 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.887 1.983 -10.846 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.218 1.655 -12.564 1.00 0.00 O ATOM 0 H GLU A 56 1.042 -0.542 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 56 0.822 2.138 -13.488 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.905 0.358 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.163 0.318 -12.062 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.445 3.035 -12.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.287 2.106 -14.046 1.00 0.00 H new ATOM 898 N GLU A 57 0.994 1.588 -10.294 1.00 0.00 N ATOM 899 CA GLU A 57 1.040 2.231 -8.996 1.00 0.00 C ATOM 900 C GLU A 57 2.473 2.514 -8.547 1.00 0.00 C ATOM 901 O GLU A 57 2.702 2.981 -7.431 1.00 0.00 O ATOM 902 CB GLU A 57 0.311 1.376 -7.964 1.00 0.00 C ATOM 903 CG GLU A 57 -1.192 1.316 -8.192 1.00 0.00 C ATOM 904 CD GLU A 57 -1.934 2.452 -7.515 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.016 2.450 -6.268 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.434 3.343 -8.231 1.00 0.00 O ATOM 0 H GLU A 57 1.304 0.616 -10.303 1.00 0.00 H new ATOM 0 HA GLU A 57 0.537 3.194 -9.084 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.717 0.365 -7.987 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.506 1.774 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.394 1.343 -9.263 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.574 0.365 -7.820 1.00 0.00 H new ATOM 913 N VAL A 58 3.431 2.252 -9.430 1.00 0.00 N ATOM 914 CA VAL A 58 4.836 2.501 -9.141 1.00 0.00 C ATOM 915 C VAL A 58 5.482 3.200 -10.327 1.00 0.00 C ATOM 916 O VAL A 58 6.219 4.173 -10.169 1.00 0.00 O ATOM 917 CB VAL A 58 5.601 1.194 -8.841 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.054 1.483 -8.503 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.936 0.431 -7.707 1.00 0.00 C ATOM 0 H VAL A 58 3.257 1.865 -10.357 1.00 0.00 H new ATOM 0 HA VAL A 58 4.887 3.132 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 58 5.574 0.575 -9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.572 0.547 -8.295 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.531 1.983 -9.346 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.102 2.127 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.491 -0.487 -7.512 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.928 1.048 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.912 0.183 -7.986 1.00 0.00 H new ATOM 929 N GLY A 59 5.172 2.701 -11.519 1.00 0.00 N ATOM 930 CA GLY A 59 5.691 3.280 -12.741 1.00 0.00 C ATOM 931 C GLY A 59 7.181 3.093 -12.929 1.00 0.00 C ATOM 932 O GLY A 59 7.650 2.840 -14.039 1.00 0.00 O ATOM 0 H GLY A 59 4.562 1.895 -11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.170 2.837 -13.590 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.466 4.346 -12.750 1.00 0.00 H new ATOM 936 N ILE A 60 7.921 3.230 -11.851 1.00 0.00 N ATOM 937 CA ILE A 60 9.367 3.091 -11.889 1.00 0.00 C ATOM 938 C ILE A 60 9.778 1.628 -11.942 1.00 0.00 C ATOM 939 O ILE A 60 8.936 0.732 -11.991 1.00 0.00 O ATOM 940 CB ILE A 60 10.064 3.747 -10.671 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.124 3.912 -9.477 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.667 5.087 -11.059 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.838 3.815 -8.145 1.00 0.00 C ATOM 0 H ILE A 60 7.544 3.440 -10.927 1.00 0.00 H new ATOM 0 HA ILE A 60 9.687 3.607 -12.794 1.00 0.00 H new ATOM 0 HB ILE A 60 10.861 3.072 -10.360 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.624 4.878 -9.546 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.348 3.148 -9.524 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.152 5.533 -10.191 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.402 4.940 -11.850 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.879 5.751 -11.415 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.118 3.940 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.315 2.839 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.595 4.596 -8.080 1.00 0.00 H new ATOM 955 N THR A 61 11.087 1.401 -11.933 1.00 0.00 N ATOM 956 CA THR A 61 11.639 0.067 -11.976 1.00 0.00 C ATOM 957 C THR A 61 12.354 -0.241 -10.667 1.00 0.00 C ATOM 958 O THR A 61 13.544 0.041 -10.523 1.00 0.00 O ATOM 959 CB THR A 61 12.626 -0.004 -13.127 1.00 0.00 C ATOM 960 OG1 THR A 61 13.202 1.269 -13.366 1.00 0.00 O ATOM 961 CG2 THR A 61 12.003 -0.471 -14.422 1.00 0.00 C ATOM 0 H THR A 61 11.788 2.141 -11.896 1.00 0.00 H new ATOM 0 HA THR A 61 10.842 -0.662 -12.118 1.00 0.00 H new ATOM 0 HB THR A 61 13.377 -0.732 -12.821 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.837 1.206 -14.110 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.763 -0.499 -15.202 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.586 -1.469 -14.286 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.209 0.217 -14.713 1.00 0.00 H new ATOM 969 N PRO A 62 11.631 -0.774 -9.675 1.00 0.00 N ATOM 970 CA PRO A 62 12.168 -1.062 -8.365 1.00 0.00 C ATOM 971 C PRO A 62 12.276 -2.544 -8.048 1.00 0.00 C ATOM 972 O PRO A 62 11.397 -3.324 -8.416 1.00 0.00 O ATOM 973 CB PRO A 62 11.056 -0.460 -7.523 1.00 0.00 C ATOM 974 CG PRO A 62 9.807 -0.889 -8.235 1.00 0.00 C ATOM 975 CD PRO A 62 10.193 -1.078 -9.689 1.00 0.00 C ATOM 0 HA PRO A 62 13.182 -0.689 -8.224 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.082 -0.832 -6.499 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.135 0.626 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.416 -1.815 -7.812 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.024 -0.137 -8.135 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.996 -2.093 -10.033 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.642 -0.406 -10.346 1.00 0.00 H new ATOM 983 N GLN A 63 13.305 -2.925 -7.296 1.00 0.00 N ATOM 984 CA GLN A 63 13.420 -4.309 -6.879 1.00 0.00 C ATOM 985 C GLN A 63 12.390 -4.494 -5.785 1.00 0.00 C ATOM 986 O GLN A 63 12.686 -4.414 -4.593 1.00 0.00 O ATOM 987 CB GLN A 63 14.827 -4.631 -6.374 1.00 0.00 C ATOM 988 CG GLN A 63 15.928 -4.018 -7.220 1.00 0.00 C ATOM 989 CD GLN A 63 17.302 -4.193 -6.606 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.537 -5.125 -5.837 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.221 -3.295 -6.943 1.00 0.00 N ATOM 0 H GLN A 63 14.051 -2.309 -6.972 1.00 0.00 H new ATOM 0 HA GLN A 63 13.245 -4.987 -7.714 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.927 -4.275 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.957 -5.713 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.916 -4.473 -8.210 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.728 -2.955 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.983 -2.538 -7.584 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.164 -3.362 -6.561 1.00 0.00 H new ATOM 1000 N HIS A 64 11.159 -4.670 -6.228 1.00 0.00 N ATOM 1001 CA HIS A 64 10.013 -4.792 -5.347 1.00 0.00 C ATOM 1002 C HIS A 64 9.311 -6.116 -5.574 1.00 0.00 C ATOM 1003 O HIS A 64 9.013 -6.479 -6.712 1.00 0.00 O ATOM 1004 CB HIS A 64 9.088 -3.604 -5.651 1.00 0.00 C ATOM 1005 CG HIS A 64 7.658 -3.718 -5.186 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.843 -4.790 -5.000 1.00 0.00 N flip ATOM 1007 CD2 HIS A 64 6.891 -2.610 -4.896 1.00 0.00 C flip ATOM 1008 CE1 HIS A 64 5.619 -4.307 -4.607 1.00 0.00 C flip ATOM 1009 NE2 HIS A 64 5.674 -2.991 -4.552 1.00 0.00 N flip ATOM 0 H HIS A 64 10.925 -4.733 -7.219 1.00 0.00 H new ATOM 0 HA HIS A 64 10.315 -4.774 -4.300 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.522 -2.712 -5.199 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.083 -3.445 -6.729 1.00 0.00 H new ATOM 0 HD2 HIS A 64 7.233 -1.587 -4.943 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.751 -4.908 -4.380 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.907 -2.372 -4.289 1.00 0.00 H new ATOM 1018 N PHE A 65 9.058 -6.850 -4.494 1.00 0.00 N ATOM 1019 CA PHE A 65 8.406 -8.143 -4.612 1.00 0.00 C ATOM 1020 C PHE A 65 8.214 -8.816 -3.254 1.00 0.00 C ATOM 1021 O PHE A 65 8.814 -8.414 -2.260 1.00 0.00 O ATOM 1022 CB PHE A 65 9.256 -9.036 -5.492 1.00 0.00 C ATOM 1023 CG PHE A 65 8.469 -10.058 -6.262 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.358 -9.679 -6.998 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.841 -11.394 -6.254 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.631 -10.613 -7.712 1.00 0.00 C ATOM 1027 CE2 PHE A 65 8.117 -12.332 -6.966 1.00 0.00 C ATOM 1028 CZ PHE A 65 7.010 -11.940 -7.696 1.00 0.00 C ATOM 0 H PHE A 65 9.292 -6.573 -3.541 1.00 0.00 H new ATOM 0 HA PHE A 65 7.419 -7.987 -5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.812 -8.415 -6.194 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.990 -9.549 -4.871 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.057 -8.642 -7.014 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.705 -11.705 -5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.767 -10.305 -8.282 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.416 -13.370 -6.952 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.443 -12.671 -8.253 1.00 0.00 H new ATOM 1038 N SER A 66 7.375 -9.855 -3.241 1.00 0.00 N ATOM 1039 CA SER A 66 7.075 -10.624 -2.033 1.00 0.00 C ATOM 1040 C SER A 66 5.998 -9.927 -1.214 1.00 0.00 C ATOM 1041 O SER A 66 5.848 -8.708 -1.285 1.00 0.00 O ATOM 1042 CB SER A 66 8.333 -10.858 -1.186 1.00 0.00 C ATOM 1043 OG SER A 66 9.315 -11.570 -1.918 1.00 0.00 O ATOM 0 H SER A 66 6.884 -10.187 -4.071 1.00 0.00 H new ATOM 0 HA SER A 66 6.702 -11.600 -2.344 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.740 -9.900 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.071 -11.414 -0.286 1.00 0.00 H new ATOM 0 HG SER A 66 10.107 -11.705 -1.357 1.00 0.00 H new ATOM 1049 N LEU A 67 5.234 -10.705 -0.455 1.00 0.00 N ATOM 1050 CA LEU A 67 4.157 -10.147 0.352 1.00 0.00 C ATOM 1051 C LEU A 67 4.494 -10.158 1.840 1.00 0.00 C ATOM 1052 O LEU A 67 4.969 -11.159 2.375 1.00 0.00 O ATOM 1053 CB LEU A 67 2.852 -10.913 0.100 1.00 0.00 C ATOM 1054 CG LEU A 67 2.685 -12.210 0.899 1.00 0.00 C ATOM 1055 CD1 LEU A 67 2.118 -11.916 2.279 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.790 -13.186 0.148 1.00 0.00 C ATOM 0 H LEU A 67 5.340 -11.717 -0.382 1.00 0.00 H new ATOM 0 HA LEU A 67 4.029 -9.107 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.014 -10.255 0.330 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.789 -11.150 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 67 3.666 -12.669 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.006 -12.848 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.796 -11.254 2.817 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.145 -11.435 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.682 -14.102 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.809 -12.736 -0.006 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.237 -13.420 -0.818 1.00 0.00 H new ATOM 1068 N PHE A 68 4.222 -9.038 2.502 1.00 0.00 N ATOM 1069 CA PHE A 68 4.471 -8.913 3.933 1.00 0.00 C ATOM 1070 C PHE A 68 3.311 -9.539 4.701 1.00 0.00 C ATOM 1071 O PHE A 68 3.511 -10.300 5.649 1.00 0.00 O ATOM 1072 CB PHE A 68 4.672 -7.430 4.299 1.00 0.00 C ATOM 1073 CG PHE A 68 3.777 -6.895 5.391 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.459 -6.549 5.127 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.265 -6.714 6.675 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.648 -6.036 6.123 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.460 -6.198 7.674 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.149 -5.859 7.397 1.00 0.00 C ATOM 0 H PHE A 68 3.828 -8.203 2.069 1.00 0.00 H new ATOM 0 HA PHE A 68 5.383 -9.444 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.709 -7.288 4.603 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.518 -6.830 3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.062 -6.682 4.132 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.288 -6.979 6.899 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.623 -5.774 5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.855 -6.060 8.670 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.518 -5.457 8.176 1.00 0.00 H new ATOM 1088 N GLU A 69 2.099 -9.226 4.259 1.00 0.00 N ATOM 1089 CA GLU A 69 0.890 -9.759 4.864 1.00 0.00 C ATOM 1090 C GLU A 69 -0.326 -9.383 4.024 1.00 0.00 C ATOM 1091 O GLU A 69 -0.488 -8.228 3.638 1.00 0.00 O ATOM 1092 CB GLU A 69 0.736 -9.246 6.295 1.00 0.00 C ATOM 1093 CG GLU A 69 1.082 -10.286 7.344 1.00 0.00 C ATOM 1094 CD GLU A 69 1.779 -9.693 8.552 1.00 0.00 C ATOM 1095 OE1 GLU A 69 2.374 -8.602 8.420 1.00 0.00 O ATOM 1096 OE2 GLU A 69 1.733 -10.319 9.632 1.00 0.00 O ATOM 0 H GLU A 69 1.929 -8.598 3.474 1.00 0.00 H new ATOM 0 HA GLU A 69 0.966 -10.846 4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.376 -8.374 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.291 -8.914 6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.170 -10.787 7.667 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.723 -11.046 6.898 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.175 -10.358 3.735 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.366 -10.111 2.934 1.00 0.00 C ATOM 1105 C LYS A 70 -3.581 -10.803 3.545 1.00 0.00 C ATOM 1106 O LYS A 70 -3.733 -12.019 3.434 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.153 -10.604 1.503 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.618 -12.024 1.423 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.236 -12.787 0.263 1.00 0.00 C ATOM 1110 CE LYS A 70 -1.315 -12.800 -0.947 1.00 0.00 C ATOM 1111 NZ LYS A 70 -0.733 -11.457 -1.218 1.00 0.00 N ATOM 0 H LYS A 70 -1.063 -11.324 4.042 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.549 -9.037 2.918 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.099 -10.550 0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.459 -9.934 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.534 -12.000 1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.828 -12.546 2.356 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.449 -13.811 0.571 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.188 -12.331 -0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -0.511 -13.517 -0.783 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.870 -13.138 -1.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.222 -11.476 -2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.496 -10.751 -1.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.074 -11.204 -0.454 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.441 -10.027 4.196 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.637 -10.580 4.827 1.00 0.00 C ATOM 1127 C LEU A 71 -6.907 -10.124 4.113 1.00 0.00 C ATOM 1128 O LEU A 71 -6.873 -9.239 3.258 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.679 -10.205 6.318 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.277 -8.833 6.666 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.734 -7.748 5.750 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -7.797 -8.879 6.604 1.00 0.00 C ATOM 0 H LEU A 71 -4.334 -9.018 4.301 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.589 -11.666 4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.250 -10.969 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.662 -10.242 6.707 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.981 -8.587 7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.175 -6.789 6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.651 -7.691 5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.986 -7.985 4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.201 -7.898 6.854 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.112 -9.156 5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.168 -9.616 7.316 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.028 -10.742 4.470 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.313 -10.413 3.873 1.00 0.00 C ATOM 1146 C GLU A 72 -10.402 -10.363 4.944 1.00 0.00 C ATOM 1147 O GLU A 72 -10.599 -11.326 5.687 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.666 -11.445 2.793 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.155 -11.566 2.511 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.461 -12.558 1.406 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.955 -12.368 0.280 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.207 -13.525 1.666 1.00 0.00 O ATOM 0 H GLU A 72 -8.070 -11.478 5.175 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.246 -9.429 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.153 -11.178 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.285 -12.419 3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.670 -11.872 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.549 -10.588 2.235 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.104 -9.238 5.019 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.172 -9.064 5.998 1.00 0.00 C ATOM 1161 C TYR A 73 -13.375 -8.372 5.369 1.00 0.00 C ATOM 1162 O TYR A 73 -13.269 -7.250 4.874 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.669 -8.254 7.195 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.255 -6.842 6.845 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.209 -6.601 5.963 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -11.908 -5.748 7.401 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.826 -5.313 5.644 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.531 -4.456 7.086 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.490 -4.245 6.207 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.111 -2.960 5.892 1.00 0.00 O ATOM 0 H TYR A 73 -10.953 -8.432 4.413 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.482 -10.051 6.342 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.453 -8.216 7.951 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.820 -8.772 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.686 -7.435 5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.723 -5.910 8.090 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.010 -5.144 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.049 -3.617 7.526 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.797 -2.332 6.201 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.519 -9.047 5.384 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.736 -8.492 4.807 1.00 0.00 C ATOM 1182 C GLU A 74 -16.586 -7.795 5.864 1.00 0.00 C ATOM 1183 O GLU A 74 -16.727 -8.280 6.987 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.555 -9.590 4.125 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.528 -10.919 4.862 1.00 0.00 C ATOM 1186 CD GLU A 74 -15.664 -11.955 4.169 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -15.847 -12.161 2.950 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -14.805 -12.560 4.844 1.00 0.00 O ATOM 0 H GLU A 74 -14.628 -9.977 5.789 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.439 -7.752 4.064 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.589 -9.256 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.177 -9.738 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.157 -10.761 5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.545 -11.301 4.951 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.150 -6.654 5.488 1.00 0.00 N ATOM 1196 CA PHE A 75 -17.991 -5.872 6.376 1.00 0.00 C ATOM 1197 C PHE A 75 -19.463 -6.053 6.005 1.00 0.00 C ATOM 1198 O PHE A 75 -19.777 -6.503 4.903 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.602 -4.396 6.284 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.740 -3.925 7.421 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.412 -4.309 7.503 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.256 -3.098 8.406 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -14.614 -3.880 8.546 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.464 -2.665 9.452 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.141 -3.056 9.523 1.00 0.00 C ATOM 0 H PHE A 75 -17.036 -6.248 4.559 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.846 -6.217 7.400 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.074 -4.227 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.509 -3.792 6.253 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -14.995 -4.952 6.742 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.289 -2.788 8.355 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -13.580 -4.188 8.598 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -16.879 -2.021 10.214 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.520 -2.719 10.340 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.385 -5.705 6.918 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.826 -5.827 6.682 1.00 0.00 C ATOM 1217 C PRO A 76 -22.262 -5.111 5.407 1.00 0.00 C ATOM 1218 O PRO A 76 -22.742 -3.978 5.453 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.465 -5.169 7.915 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.361 -4.421 8.583 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.099 -5.159 8.246 1.00 0.00 C ATOM 0 HA PRO A 76 -22.125 -6.866 6.547 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.275 -4.499 7.627 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.892 -5.917 8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.317 -3.391 8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.514 -4.381 9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.234 -4.496 8.233 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.886 -5.946 8.969 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.083 -5.793 4.277 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.442 -5.266 2.954 1.00 0.00 C ATOM 1231 C ASP A 77 -21.244 -4.610 2.267 1.00 0.00 C ATOM 1232 O ASP A 77 -21.385 -4.007 1.203 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.600 -4.265 3.046 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.412 -4.202 1.767 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.155 -5.165 1.487 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -24.304 -3.188 1.045 1.00 0.00 O ATOM 0 H ASP A 77 -21.683 -6.731 4.249 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.763 -6.116 2.352 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.252 -4.543 3.874 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.204 -3.275 3.271 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.064 -4.737 2.871 1.00 0.00 N ATOM 1242 CA ARG A 78 -18.849 -4.162 2.303 1.00 0.00 C ATOM 1243 C ARG A 78 -17.687 -5.144 2.416 1.00 0.00 C ATOM 1244 O ARG A 78 -17.000 -5.185 3.434 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.500 -2.857 3.022 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.839 -1.822 2.126 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.122 -0.406 2.605 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.052 0.114 3.456 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.975 -0.093 4.770 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -17.895 -0.821 5.392 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.973 0.430 5.466 1.00 0.00 N ATOM 0 H ARG A 78 -19.925 -5.232 3.752 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.027 -3.953 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.410 -2.431 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -17.835 -3.079 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.762 -1.992 2.105 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.200 -1.940 1.104 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.249 0.249 1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.062 -0.392 3.157 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.319 0.670 3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.668 -1.226 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.829 -0.975 6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.262 0.990 4.995 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.914 0.272 6.472 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.466 -5.930 1.369 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.383 -6.907 1.372 1.00 0.00 C ATOM 1267 C HIS A 79 -15.073 -6.267 0.927 1.00 0.00 C ATOM 1268 O HIS A 79 -14.830 -6.095 -0.268 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.728 -8.091 0.466 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.664 -9.144 0.421 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -15.801 -10.323 -0.279 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -14.438 -9.190 0.994 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -14.706 -11.048 -0.135 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -13.864 -10.383 0.632 1.00 0.00 N ATOM 0 H HIS A 79 -18.018 -5.911 0.512 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.258 -7.271 2.392 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.659 -8.542 0.811 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.907 -7.724 -0.545 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -16.620 -10.594 -0.823 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -13.994 -8.429 1.619 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.530 -12.020 -0.571 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.232 -5.915 1.896 1.00 0.00 N ATOM 1284 CA ILE A 80 -12.953 -5.298 1.605 1.00 0.00 C ATOM 1285 C ILE A 80 -11.815 -6.304 1.752 1.00 0.00 C ATOM 1286 O ILE A 80 -11.754 -7.053 2.726 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.682 -4.090 2.532 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.227 -3.641 2.403 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.000 -4.444 3.977 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.885 -2.426 3.236 1.00 0.00 C ATOM 0 H ILE A 80 -14.419 -6.049 2.890 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.997 -4.948 0.574 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.330 -3.268 2.228 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.576 -4.465 2.695 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.016 -3.423 1.356 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.803 -3.582 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.050 -4.725 4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.375 -5.279 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.836 -2.169 3.091 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.510 -1.587 2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.063 -2.645 4.289 1.00 0.00 H new ATOM 1302 N THR A 81 -10.905 -6.292 0.788 1.00 0.00 N ATOM 1303 CA THR A 81 -9.750 -7.177 0.809 1.00 0.00 C ATOM 1304 C THR A 81 -8.475 -6.343 0.824 1.00 0.00 C ATOM 1305 O THR A 81 -8.228 -5.564 -0.095 1.00 0.00 O ATOM 1306 CB THR A 81 -9.765 -8.109 -0.406 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.980 -7.980 -1.123 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.600 -9.568 -0.039 1.00 0.00 C ATOM 0 H THR A 81 -10.946 -5.675 -0.023 1.00 0.00 H new ATOM 0 HA THR A 81 -9.788 -7.793 1.708 1.00 0.00 H new ATOM 0 HB THR A 81 -8.914 -7.805 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.196 -8.832 -1.557 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.619 -10.175 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.648 -9.709 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.414 -9.872 0.619 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.677 -6.488 1.875 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.446 -5.715 1.992 1.00 0.00 C ATOM 1318 C LEU A 82 -5.210 -6.604 1.899 1.00 0.00 C ATOM 1319 O LEU A 82 -4.955 -7.426 2.779 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.441 -4.948 3.320 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.380 -3.423 3.196 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.585 -2.896 2.439 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.292 -2.781 4.572 1.00 0.00 C ATOM 0 H LEU A 82 -7.857 -7.126 2.650 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.411 -5.012 1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.339 -5.215 3.878 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.588 -5.282 3.910 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.484 -3.161 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.521 -1.811 2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.605 -3.329 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.497 -3.169 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.249 -1.697 4.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.170 -3.054 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.394 -3.131 5.080 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.434 -6.416 0.834 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.212 -7.183 0.635 1.00 0.00 C ATOM 1337 C TRP A 83 -2.004 -6.271 0.779 1.00 0.00 C ATOM 1338 O TRP A 83 -1.875 -5.278 0.063 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.189 -7.842 -0.749 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.299 -8.822 -0.970 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.563 -8.743 -0.476 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.244 -10.024 -1.747 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.303 -9.822 -0.892 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.515 -10.624 -1.674 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.245 -10.652 -2.497 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.813 -11.820 -2.322 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.542 -11.839 -3.139 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.816 -12.412 -3.049 1.00 0.00 C ATOM 0 H TRP A 83 -4.632 -5.739 0.097 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.179 -7.967 1.391 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.245 -7.065 -1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.235 -8.352 -0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.932 -7.946 0.153 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.280 -9.998 -0.657 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.259 -10.217 -2.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.795 -12.264 -2.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.778 -12.333 -3.720 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.016 -13.340 -3.564 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.124 -6.610 1.707 1.00 0.00 N ATOM 1360 CA PHE A 84 0.075 -5.809 1.936 1.00 0.00 C ATOM 1361 C PHE A 84 1.318 -6.561 1.464 1.00 0.00 C ATOM 1362 O PHE A 84 1.716 -7.563 2.056 1.00 0.00 O ATOM 1363 CB PHE A 84 0.206 -5.413 3.416 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.840 -4.433 3.877 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.176 -4.641 3.578 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.491 -3.298 4.604 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.141 -3.749 3.990 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.459 -2.399 5.014 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.786 -2.626 4.707 1.00 0.00 C ATOM 0 H PHE A 84 -1.213 -7.427 2.311 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.016 -4.892 1.354 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.144 -6.312 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.193 -4.981 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.465 -5.515 3.014 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.545 -3.118 4.850 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.179 -3.930 3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.177 -1.520 5.574 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.544 -1.926 5.027 1.00 0.00 H new ATOM 1379 N TRP A 85 1.913 -6.073 0.377 1.00 0.00 N ATOM 1380 CA TRP A 85 3.097 -6.696 -0.205 1.00 0.00 C ATOM 1381 C TRP A 85 4.383 -6.029 0.278 1.00 0.00 C ATOM 1382 O TRP A 85 4.401 -4.833 0.569 1.00 0.00 O ATOM 1383 CB TRP A 85 3.018 -6.657 -1.732 1.00 0.00 C ATOM 1384 CG TRP A 85 1.949 -7.553 -2.283 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.620 -7.522 -1.974 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.119 -8.615 -3.228 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.048 -8.500 -2.671 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.850 -9.185 -3.447 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.219 -9.141 -3.911 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.653 -10.252 -4.320 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.022 -10.200 -4.777 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.747 -10.745 -4.975 1.00 0.00 C ATOM 0 H TRP A 85 1.591 -5.243 -0.120 1.00 0.00 H new ATOM 0 HA TRP A 85 3.122 -7.734 0.126 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.829 -5.633 -2.055 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.982 -6.950 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.161 -6.830 -1.283 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.050 -8.686 -2.619 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.206 -8.727 -3.765 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.329 -10.675 -4.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.865 -10.614 -5.310 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.626 -11.572 -5.659 1.00 0.00 H new ATOM 1403 N LEU A 86 5.454 -6.816 0.372 1.00 0.00 N ATOM 1404 CA LEU A 86 6.742 -6.310 0.833 1.00 0.00 C ATOM 1405 C LEU A 86 7.649 -5.923 -0.336 1.00 0.00 C ATOM 1406 O LEU A 86 7.711 -6.615 -1.348 1.00 0.00 O ATOM 1407 CB LEU A 86 7.436 -7.345 1.724 1.00 0.00 C ATOM 1408 CG LEU A 86 8.070 -8.522 0.984 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.579 -8.349 0.894 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.723 -9.837 1.669 1.00 0.00 C ATOM 0 H LEU A 86 5.453 -7.808 0.134 1.00 0.00 H new ATOM 0 HA LEU A 86 6.551 -5.409 1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.210 -6.841 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.708 -7.734 2.436 1.00 0.00 H new ATOM 0 HG LEU A 86 7.666 -8.546 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.012 -9.197 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.808 -7.429 0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.000 -8.296 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.184 -10.663 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.095 -9.823 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.641 -9.968 1.678 1.00 0.00 H new ATOM 1422 N VAL A 87 8.338 -4.800 -0.177 1.00 0.00 N ATOM 1423 CA VAL A 87 9.249 -4.274 -1.192 1.00 0.00 C ATOM 1424 C VAL A 87 10.629 -4.096 -0.616 1.00 0.00 C ATOM 1425 O VAL A 87 10.766 -3.781 0.566 1.00 0.00 O ATOM 1426 CB VAL A 87 8.786 -2.921 -1.705 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.660 -2.439 -2.852 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.330 -3.000 -2.118 1.00 0.00 C ATOM 0 H VAL A 87 8.282 -4.224 0.663 1.00 0.00 H new ATOM 0 HA VAL A 87 9.262 -4.993 -2.011 1.00 0.00 H new ATOM 0 HB VAL A 87 8.881 -2.191 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.304 -1.469 -3.198 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.691 -2.347 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.613 -3.156 -3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.003 -2.027 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.215 -3.743 -2.907 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.723 -3.287 -1.259 1.00 0.00 H new ATOM 1438 N GLU A 88 11.660 -4.313 -1.422 1.00 0.00 N ATOM 1439 CA GLU A 88 13.009 -4.171 -0.895 1.00 0.00 C ATOM 1440 C GLU A 88 13.808 -3.011 -1.503 1.00 0.00 C ATOM 1441 O GLU A 88 14.774 -2.554 -0.892 1.00 0.00 O ATOM 1442 CB GLU A 88 13.784 -5.481 -1.052 1.00 0.00 C ATOM 1443 CG GLU A 88 14.121 -5.823 -2.495 1.00 0.00 C ATOM 1444 CD GLU A 88 13.072 -6.702 -3.147 1.00 0.00 C ATOM 1445 OE1 GLU A 88 11.875 -6.350 -3.076 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.446 -7.742 -3.728 1.00 0.00 O ATOM 0 H GLU A 88 11.595 -4.578 -2.405 1.00 0.00 H new ATOM 0 HA GLU A 88 12.886 -3.929 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.708 -5.417 -0.478 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.198 -6.293 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.225 -4.902 -3.068 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.086 -6.329 -2.529 1.00 0.00 H new ATOM 1453 N ARG A 89 13.440 -2.534 -2.691 1.00 0.00 N ATOM 1454 CA ARG A 89 14.188 -1.439 -3.308 1.00 0.00 C ATOM 1455 C ARG A 89 13.387 -0.774 -4.422 1.00 0.00 C ATOM 1456 O ARG A 89 12.457 -1.365 -4.965 1.00 0.00 O ATOM 1457 CB ARG A 89 15.534 -1.971 -3.831 1.00 0.00 C ATOM 1458 CG ARG A 89 16.184 -1.136 -4.930 1.00 0.00 C ATOM 1459 CD ARG A 89 16.932 0.061 -4.362 1.00 0.00 C ATOM 1460 NE ARG A 89 18.282 0.173 -4.909 1.00 0.00 N ATOM 1461 CZ ARG A 89 19.253 -0.708 -4.678 1.00 0.00 C ATOM 1462 NH1 ARG A 89 19.028 -1.768 -3.911 1.00 0.00 N ATOM 1463 NH2 ARG A 89 20.451 -0.529 -5.217 1.00 0.00 N ATOM 0 H ARG A 89 12.648 -2.878 -3.235 1.00 0.00 H new ATOM 0 HA ARG A 89 14.376 -0.674 -2.554 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.228 -2.042 -2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.384 -2.983 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.874 -1.759 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.419 -0.790 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.376 0.973 -4.580 1.00 0.00 H new ATOM 0 HD3 ARG A 89 16.987 -0.027 -3.277 1.00 0.00 H new ATOM 0 HE ARG A 89 18.493 0.974 -5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.108 -1.911 -3.495 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.776 -2.440 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.628 0.283 -5.808 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.196 -1.203 -5.041 1.00 0.00 H new ATOM 1477 N TRP A 90 13.771 0.454 -4.769 1.00 0.00 N ATOM 1478 CA TRP A 90 13.099 1.186 -5.834 1.00 0.00 C ATOM 1479 C TRP A 90 14.008 2.263 -6.425 1.00 0.00 C ATOM 1480 O TRP A 90 14.498 3.137 -5.710 1.00 0.00 O ATOM 1481 CB TRP A 90 11.775 1.773 -5.323 1.00 0.00 C ATOM 1482 CG TRP A 90 11.851 3.182 -4.822 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.058 4.311 -5.562 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.690 3.612 -3.468 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.040 5.416 -4.749 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.813 5.013 -3.458 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.453 2.946 -2.262 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.705 5.760 -2.292 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.346 3.690 -1.103 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.470 5.085 -1.126 1.00 0.00 C ATOM 0 H TRP A 90 14.541 0.958 -4.329 1.00 0.00 H new ATOM 0 HA TRP A 90 12.868 0.490 -6.640 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.043 1.730 -6.129 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.402 1.139 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.213 4.331 -6.631 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.174 6.380 -5.055 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.355 1.871 -2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.803 6.835 -2.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.164 3.188 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.378 5.639 -0.204 1.00 0.00 H new ATOM 1501 N GLU A 91 14.237 2.185 -7.739 1.00 0.00 N ATOM 1502 CA GLU A 91 15.094 3.148 -8.422 1.00 0.00 C ATOM 1503 C GLU A 91 14.378 4.481 -8.616 1.00 0.00 C ATOM 1504 O GLU A 91 13.154 4.529 -8.735 1.00 0.00 O ATOM 1505 CB GLU A 91 15.539 2.595 -9.776 1.00 0.00 C ATOM 1506 CG GLU A 91 16.536 1.452 -9.668 1.00 0.00 C ATOM 1507 CD GLU A 91 17.285 1.206 -10.963 1.00 0.00 C ATOM 1508 OE1 GLU A 91 18.357 1.820 -11.155 1.00 0.00 O ATOM 1509 OE2 GLU A 91 16.800 0.402 -11.785 1.00 0.00 O ATOM 0 H GLU A 91 13.841 1.467 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 91 15.971 3.318 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.662 2.251 -10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.984 3.401 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.251 1.672 -8.875 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.010 0.542 -9.379 1.00 0.00 H new ATOM 1516 N GLY A 92 15.152 5.562 -8.646 1.00 0.00 N ATOM 1517 CA GLY A 92 14.579 6.884 -8.828 1.00 0.00 C ATOM 1518 C GLY A 92 13.515 7.203 -7.796 1.00 0.00 C ATOM 1519 O GLY A 92 13.735 7.038 -6.596 1.00 0.00 O ATOM 0 H GLY A 92 16.167 5.546 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.371 7.631 -8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.146 6.954 -9.826 1.00 0.00 H new ATOM 1523 N GLU A 93 12.359 7.661 -8.265 1.00 0.00 N ATOM 1524 CA GLU A 93 11.255 8.004 -7.377 1.00 0.00 C ATOM 1525 C GLU A 93 9.989 7.252 -7.777 1.00 0.00 C ATOM 1526 O GLU A 93 9.750 7.016 -8.962 1.00 0.00 O ATOM 1527 CB GLU A 93 10.999 9.512 -7.404 1.00 0.00 C ATOM 1528 CG GLU A 93 10.581 10.081 -6.058 1.00 0.00 C ATOM 1529 CD GLU A 93 10.932 11.549 -5.911 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.821 12.023 -6.649 1.00 0.00 O ATOM 1531 OE2 GLU A 93 10.317 12.224 -5.060 1.00 0.00 O ATOM 0 H GLU A 93 12.163 7.803 -9.256 1.00 0.00 H new ATOM 0 HA GLU A 93 11.528 7.710 -6.364 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.903 10.020 -7.739 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.222 9.727 -8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 93 9.506 9.954 -5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 93 11.064 9.514 -5.262 1.00 0.00 H new ATOM 1538 N PRO A 94 9.150 6.870 -6.796 1.00 0.00 N ATOM 1539 CA PRO A 94 7.904 6.154 -7.056 1.00 0.00 C ATOM 1540 C PRO A 94 6.825 7.084 -7.583 1.00 0.00 C ATOM 1541 O PRO A 94 6.554 8.126 -6.987 1.00 0.00 O ATOM 1542 CB PRO A 94 7.504 5.592 -5.679 1.00 0.00 C ATOM 1543 CG PRO A 94 8.626 5.939 -4.752 1.00 0.00 C ATOM 1544 CD PRO A 94 9.326 7.115 -5.364 1.00 0.00 C ATOM 0 HA PRO A 94 8.026 5.382 -7.815 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.566 6.028 -5.337 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.356 4.513 -5.726 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.249 6.184 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.309 5.097 -4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.880 8.060 -5.055 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.379 7.153 -5.084 1.00 0.00 H new ATOM 1552 N TRP A 95 6.206 6.712 -8.695 1.00 0.00 N ATOM 1553 CA TRP A 95 5.160 7.539 -9.268 1.00 0.00 C ATOM 1554 C TRP A 95 3.930 6.725 -9.628 1.00 0.00 C ATOM 1555 O TRP A 95 2.837 6.979 -9.120 1.00 0.00 O ATOM 1556 CB TRP A 95 5.658 8.294 -10.505 1.00 0.00 C ATOM 1557 CG TRP A 95 6.361 7.453 -11.540 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.697 7.198 -11.610 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.770 6.783 -12.668 1.00 0.00 C ATOM 1560 NE1 TRP A 95 7.983 6.434 -12.719 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.817 6.168 -13.385 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.462 6.646 -13.145 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.596 5.439 -14.552 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.245 5.917 -14.299 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.308 5.327 -14.994 1.00 0.00 C ATOM 0 H TRP A 95 6.408 5.855 -9.210 1.00 0.00 H new ATOM 0 HA TRP A 95 4.882 8.263 -8.502 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.806 8.784 -10.977 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.338 9.081 -10.179 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.429 7.546 -10.896 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.912 6.118 -12.999 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.636 7.102 -12.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.413 4.979 -15.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.238 5.800 -14.671 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.106 4.772 -15.898 1.00 0.00 H new ATOM 1576 N GLY A 96 4.114 5.752 -10.511 1.00 0.00 N ATOM 1577 CA GLY A 96 3.009 4.911 -10.943 1.00 0.00 C ATOM 1578 C GLY A 96 1.697 5.667 -11.074 1.00 0.00 C ATOM 1579 O GLY A 96 1.445 6.319 -12.087 1.00 0.00 O ATOM 0 H GLY A 96 5.012 5.528 -10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.258 4.460 -11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.882 4.096 -10.231 1.00 0.00 H new ATOM 1583 N LYS A 97 0.860 5.575 -10.041 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.434 6.252 -10.033 1.00 0.00 C ATOM 1585 C LYS A 97 -1.207 5.949 -8.750 1.00 0.00 C ATOM 1586 O LYS A 97 -2.425 5.772 -8.777 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.262 5.832 -11.251 1.00 0.00 C ATOM 1588 CG LYS A 97 -2.034 6.978 -11.887 1.00 0.00 C ATOM 1589 CD LYS A 97 -3.101 6.468 -12.842 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.366 7.463 -13.960 1.00 0.00 C ATOM 1591 NZ LYS A 97 -2.237 7.527 -14.927 1.00 0.00 N ATOM 0 H LYS A 97 1.057 5.036 -9.197 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.250 7.325 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.599 5.393 -11.997 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.964 5.054 -10.952 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.500 7.581 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.344 7.629 -12.424 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.785 5.516 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.024 6.281 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.279 7.183 -14.486 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.535 8.452 -13.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.567 7.949 -15.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.473 8.110 -14.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.881 6.567 -15.109 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.494 5.892 -7.628 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.106 5.613 -6.341 1.00 0.00 C ATOM 1607 C GLU A 98 -2.148 6.671 -5.982 1.00 0.00 C ATOM 1608 O GLU A 98 -3.273 6.339 -5.607 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.021 5.548 -5.269 1.00 0.00 C ATOM 1610 CG GLU A 98 0.776 6.836 -5.106 1.00 0.00 C ATOM 1611 CD GLU A 98 1.425 7.330 -6.384 1.00 0.00 C ATOM 1612 OE1 GLU A 98 0.774 8.098 -7.123 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.585 6.948 -6.646 1.00 0.00 O ATOM 0 H GLU A 98 0.515 6.037 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.619 4.653 -6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.484 5.298 -4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.666 4.738 -5.512 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.115 7.613 -4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.551 6.678 -4.356 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.775 7.944 -6.104 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.707 9.013 -5.791 1.00 0.00 C ATOM 1622 C GLY A 99 -2.048 10.212 -5.129 1.00 0.00 C ATOM 1623 O GLY A 99 -2.266 11.349 -5.545 1.00 0.00 O ATOM 0 H GLY A 99 -0.852 8.251 -6.411 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -3.198 9.338 -6.709 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.485 8.626 -5.133 1.00 0.00 H new ATOM 1627 N GLN A 100 -1.258 9.964 -4.088 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.590 11.048 -3.369 1.00 0.00 C ATOM 1629 C GLN A 100 0.892 10.762 -3.155 1.00 0.00 C ATOM 1630 O GLN A 100 1.264 9.791 -2.496 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.272 11.291 -2.019 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.804 10.027 -1.361 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.310 9.896 -1.482 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.960 10.686 -2.169 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.873 8.897 -0.815 1.00 0.00 N ATOM 0 H GLN A 100 -1.065 9.031 -3.725 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.672 11.943 -3.985 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.561 11.768 -1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -2.096 11.990 -2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.330 9.158 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -1.526 10.026 -0.307 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.296 8.266 -0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.883 8.759 -0.859 1.00 0.00 H new ATOM 1644 N PRO A 101 1.757 11.628 -3.709 1.00 0.00 N ATOM 1645 CA PRO A 101 3.212 11.501 -3.583 1.00 0.00 C ATOM 1646 C PRO A 101 3.655 11.150 -2.164 1.00 0.00 C ATOM 1647 O PRO A 101 3.033 11.568 -1.188 1.00 0.00 O ATOM 1648 CB PRO A 101 3.688 12.901 -3.955 1.00 0.00 C ATOM 1649 CG PRO A 101 2.705 13.359 -4.967 1.00 0.00 C ATOM 1650 CD PRO A 101 1.383 12.818 -4.505 1.00 0.00 C ATOM 0 HA PRO A 101 3.615 10.700 -4.202 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.704 13.561 -3.087 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.700 12.884 -4.361 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.684 14.447 -5.032 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.958 12.985 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.838 13.547 -3.905 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.741 12.553 -5.346 1.00 0.00 H new ATOM 1658 N GLY A 102 4.731 10.374 -2.060 1.00 0.00 N ATOM 1659 CA GLY A 102 5.236 9.975 -0.756 1.00 0.00 C ATOM 1660 C GLY A 102 6.712 10.285 -0.568 1.00 0.00 C ATOM 1661 O GLY A 102 7.375 10.775 -1.482 1.00 0.00 O ATOM 0 H GLY A 102 5.262 10.015 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.663 10.482 0.020 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.076 8.905 -0.623 1.00 0.00 H new ATOM 1665 N GLU A 103 7.221 9.996 0.626 1.00 0.00 N ATOM 1666 CA GLU A 103 8.624 10.237 0.956 1.00 0.00 C ATOM 1667 C GLU A 103 9.198 9.055 1.734 1.00 0.00 C ATOM 1668 O GLU A 103 8.452 8.290 2.342 1.00 0.00 O ATOM 1669 CB GLU A 103 8.767 11.522 1.772 1.00 0.00 C ATOM 1670 CG GLU A 103 9.038 12.755 0.923 1.00 0.00 C ATOM 1671 CD GLU A 103 10.091 13.661 1.530 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.264 13.237 1.609 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.745 14.794 1.925 1.00 0.00 O ATOM 0 H GLU A 103 6.678 9.591 1.388 1.00 0.00 H new ATOM 0 HA GLU A 103 9.182 10.349 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.855 11.681 2.347 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.579 11.399 2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.361 12.444 -0.070 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.112 13.315 0.796 1.00 0.00 H new ATOM 1680 N TRP A 104 10.520 8.902 1.714 1.00 0.00 N ATOM 1681 CA TRP A 104 11.161 7.796 2.427 1.00 0.00 C ATOM 1682 C TRP A 104 10.952 7.946 3.935 1.00 0.00 C ATOM 1683 O TRP A 104 11.573 8.794 4.575 1.00 0.00 O ATOM 1684 CB TRP A 104 12.669 7.730 2.111 1.00 0.00 C ATOM 1685 CG TRP A 104 13.034 8.295 0.772 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.335 8.156 -0.391 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.185 9.086 0.458 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.981 8.813 -1.410 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.119 9.392 -0.915 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.265 9.567 1.204 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.091 10.156 -1.555 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.230 10.325 0.567 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.137 10.614 -0.800 1.00 0.00 C ATOM 0 H TRP A 104 11.163 9.520 1.219 1.00 0.00 H new ATOM 0 HA TRP A 104 10.699 6.868 2.091 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.216 8.270 2.884 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.995 6.691 2.157 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.409 7.610 -0.495 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.664 8.862 -2.378 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.344 9.350 2.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.022 10.379 -2.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.070 10.700 1.133 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.906 11.210 -1.268 1.00 0.00 H new ATOM 1704 N MET A 105 10.077 7.111 4.496 1.00 0.00 N ATOM 1705 CA MET A 105 9.792 7.146 5.931 1.00 0.00 C ATOM 1706 C MET A 105 10.128 5.810 6.582 1.00 0.00 C ATOM 1707 O MET A 105 10.155 4.776 5.917 1.00 0.00 O ATOM 1708 CB MET A 105 8.320 7.485 6.197 1.00 0.00 C ATOM 1709 CG MET A 105 7.672 8.350 5.128 1.00 0.00 C ATOM 1710 SD MET A 105 8.595 9.864 4.801 1.00 0.00 S ATOM 1711 CE MET A 105 7.305 11.093 4.982 1.00 0.00 C ATOM 0 H MET A 105 9.554 6.403 3.980 1.00 0.00 H new ATOM 0 HA MET A 105 10.417 7.926 6.367 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.756 6.556 6.287 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.245 7.997 7.156 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.586 7.776 4.205 1.00 0.00 H new ATOM 0 HG3 MET A 105 6.660 8.607 5.439 1.00 0.00 H new ATOM 0 HE1 MET A 105 7.590 12.000 4.449 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.374 10.706 4.568 1.00 0.00 H new ATOM 0 HE3 MET A 105 7.166 11.321 6.039 1.00 0.00 H new ATOM 1721 N SER A 106 10.368 5.834 7.888 1.00 0.00 N ATOM 1722 CA SER A 106 10.688 4.618 8.627 1.00 0.00 C ATOM 1723 C SER A 106 9.434 3.779 8.852 1.00 0.00 C ATOM 1724 O SER A 106 8.511 4.200 9.549 1.00 0.00 O ATOM 1725 CB SER A 106 11.331 4.967 9.971 1.00 0.00 C ATOM 1726 OG SER A 106 10.810 6.179 10.487 1.00 0.00 O ATOM 0 H SER A 106 10.347 6.681 8.456 1.00 0.00 H new ATOM 0 HA SER A 106 11.395 4.036 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 106 11.155 4.160 10.682 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.411 5.054 9.849 1.00 0.00 H new ATOM 0 HG SER A 106 11.236 6.378 11.347 1.00 0.00 H new ATOM 1732 N LEU A 107 9.402 2.592 8.252 1.00 0.00 N ATOM 1733 CA LEU A 107 8.253 1.700 8.387 1.00 0.00 C ATOM 1734 C LEU A 107 8.227 1.024 9.756 1.00 0.00 C ATOM 1735 O LEU A 107 7.189 0.523 10.190 1.00 0.00 O ATOM 1736 CB LEU A 107 8.270 0.642 7.282 1.00 0.00 C ATOM 1737 CG LEU A 107 6.947 -0.096 7.051 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.735 -1.163 8.113 1.00 0.00 C ATOM 1739 CD2 LEU A 107 5.778 0.881 7.032 1.00 0.00 C ATOM 0 H LEU A 107 10.155 2.226 7.670 1.00 0.00 H new ATOM 0 HA LEU A 107 7.351 2.305 8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.565 1.122 6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.039 -0.093 7.520 1.00 0.00 H new ATOM 0 HG LEU A 107 6.997 -0.585 6.078 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.790 -1.675 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 107 7.552 -1.884 8.073 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.711 -0.696 9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.850 0.334 6.867 1.00 0.00 H new ATOM 0 HD22 LEU A 107 5.726 1.404 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.921 1.604 6.229 1.00 0.00 H new ATOM 1751 N VAL A 108 9.370 1.015 10.434 1.00 0.00 N ATOM 1752 CA VAL A 108 9.471 0.401 11.753 1.00 0.00 C ATOM 1753 C VAL A 108 8.507 1.043 12.752 1.00 0.00 C ATOM 1754 O VAL A 108 8.285 0.510 13.840 1.00 0.00 O ATOM 1755 CB VAL A 108 10.908 0.499 12.305 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.320 1.954 12.476 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.030 -0.256 13.621 1.00 0.00 C ATOM 0 H VAL A 108 10.239 1.426 10.092 1.00 0.00 H new ATOM 0 HA VAL A 108 9.202 -0.648 11.629 1.00 0.00 H new ATOM 0 HB VAL A 108 11.584 0.038 11.585 1.00 0.00 H new ATOM 0 HG11 VAL A 108 12.337 2.001 12.866 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.278 2.460 11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.641 2.445 13.173 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.051 -0.175 13.994 1.00 0.00 H new ATOM 0 HG22 VAL A 108 10.342 0.171 14.351 1.00 0.00 H new ATOM 0 HG23 VAL A 108 10.784 -1.306 13.462 1.00 0.00 H new ATOM 1767 N GLY A 109 7.933 2.187 12.382 1.00 0.00 N ATOM 1768 CA GLY A 109 7.007 2.868 13.262 1.00 0.00 C ATOM 1769 C GLY A 109 5.847 3.488 12.510 1.00 0.00 C ATOM 1770 O GLY A 109 5.581 4.683 12.638 1.00 0.00 O ATOM 0 H GLY A 109 8.095 2.651 11.488 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.623 2.162 13.998 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.537 3.645 13.812 1.00 0.00 H new ATOM 1774 N LEU A 110 5.156 2.671 11.723 1.00 0.00 N ATOM 1775 CA LEU A 110 4.014 3.141 10.945 1.00 0.00 C ATOM 1776 C LEU A 110 2.913 3.655 11.867 1.00 0.00 C ATOM 1777 O LEU A 110 2.788 3.204 13.006 1.00 0.00 O ATOM 1778 CB LEU A 110 3.473 2.019 10.059 1.00 0.00 C ATOM 1779 CG LEU A 110 2.425 2.454 9.036 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.506 1.591 7.787 1.00 0.00 C ATOM 1781 CD2 LEU A 110 1.034 2.392 9.647 1.00 0.00 C ATOM 0 H LEU A 110 5.366 1.680 11.606 1.00 0.00 H new ATOM 0 HA LEU A 110 4.348 3.961 10.309 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.308 1.560 9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.039 1.250 10.697 1.00 0.00 H new ATOM 0 HG LEU A 110 2.628 3.485 8.747 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.752 1.916 7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.496 1.688 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.328 0.549 8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 110 0.297 2.705 8.907 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.820 1.371 9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.986 3.056 10.510 1.00 0.00 H new ATOM 1793 N ASN A 111 2.135 4.620 11.382 1.00 0.00 N ATOM 1794 CA ASN A 111 1.069 5.209 12.187 1.00 0.00 C ATOM 1795 C ASN A 111 -0.321 4.796 11.724 1.00 0.00 C ATOM 1796 O ASN A 111 -0.756 5.146 10.628 1.00 0.00 O ATOM 1797 CB ASN A 111 1.190 6.735 12.180 1.00 0.00 C ATOM 1798 CG ASN A 111 1.526 7.295 13.548 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.692 7.352 13.940 1.00 0.00 O ATOM 1800 ND2 ASN A 111 0.503 7.712 14.285 1.00 0.00 N ATOM 0 H ASN A 111 2.222 5.008 10.443 1.00 0.00 H new ATOM 0 HA ASN A 111 1.192 4.829 13.201 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.961 7.032 11.469 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.252 7.169 11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 111 0.668 8.098 15.215 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -0.448 7.647 13.921 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.028 4.078 12.596 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.388 3.650 12.306 1.00 0.00 C ATOM 1809 C ALA A 112 -3.339 4.847 12.372 1.00 0.00 C ATOM 1810 O ALA A 112 -4.449 4.807 11.840 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.831 2.564 13.278 1.00 0.00 C ATOM 0 H ALA A 112 -0.678 3.783 13.507 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.414 3.234 11.299 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.851 2.259 13.043 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.166 1.705 13.191 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.794 2.950 14.297 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.892 5.914 13.032 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.688 7.129 13.163 1.00 0.00 C ATOM 1819 C ASP A 113 -3.621 7.964 11.886 1.00 0.00 C ATOM 1820 O ASP A 113 -4.644 8.424 11.377 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.200 7.956 14.354 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.340 8.621 15.101 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.364 7.948 15.344 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -4.209 9.815 15.443 1.00 0.00 O ATOM 0 H ASP A 113 -1.979 5.960 13.485 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.725 6.839 13.331 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.647 7.312 15.038 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.505 8.719 14.003 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.404 8.164 11.382 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.189 8.954 10.171 1.00 0.00 C ATOM 1831 C ASP A 114 -2.779 8.269 8.939 1.00 0.00 C ATOM 1832 O ASP A 114 -2.988 8.906 7.907 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.698 9.209 9.964 1.00 0.00 C ATOM 1834 CG ASP A 114 -0.355 10.686 9.983 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -0.292 11.267 11.087 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.150 11.262 8.893 1.00 0.00 O ATOM 0 H ASP A 114 -1.550 7.789 11.795 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.703 9.906 10.302 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.133 8.698 10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.388 8.779 9.012 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.054 6.974 9.051 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.631 6.222 7.945 1.00 0.00 C ATOM 1843 C PHE A 115 -5.106 5.930 8.242 1.00 0.00 C ATOM 1844 O PHE A 115 -5.588 6.241 9.332 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.811 4.941 7.696 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.454 3.667 8.153 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.862 3.531 9.458 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.629 2.603 7.282 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.433 2.361 9.904 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.205 1.428 7.717 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.605 1.308 9.032 1.00 0.00 C ATOM 0 H PHE A 115 -2.887 6.425 9.894 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.591 6.808 7.027 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.607 4.862 6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.849 5.043 8.198 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.733 4.355 10.144 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.312 2.695 6.254 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.745 2.268 10.934 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.342 0.605 7.031 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.053 0.388 9.378 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.858 5.355 7.286 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.282 5.068 7.487 1.00 0.00 C ATOM 1863 C PRO A 116 -7.537 4.234 8.744 1.00 0.00 C ATOM 1864 O PRO A 116 -6.921 3.187 8.940 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.684 4.287 6.226 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.401 3.907 5.562 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.407 4.965 5.944 1.00 0.00 C ATOM 0 HA PRO A 116 -7.860 5.981 7.632 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.269 3.404 6.482 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.301 4.898 5.567 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.068 2.922 5.891 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.522 3.858 4.480 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.388 4.579 5.955 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.422 5.806 5.250 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.452 4.698 9.622 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.782 3.998 10.870 1.00 0.00 C ATOM 1877 C PRO A 117 -9.522 2.686 10.630 1.00 0.00 C ATOM 1878 O PRO A 117 -9.286 1.696 11.319 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.683 4.989 11.610 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.280 5.830 10.538 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.229 5.944 9.470 1.00 0.00 C ATOM 0 HA PRO A 117 -7.885 3.719 11.423 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.453 4.472 12.183 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.112 5.593 12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.189 5.374 10.145 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.556 6.813 10.921 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.672 6.023 8.477 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.605 6.827 9.612 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.414 2.683 9.647 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.180 1.485 9.319 1.00 0.00 C ATOM 1891 C ALA A 118 -10.294 0.416 8.690 1.00 0.00 C ATOM 1892 O ALA A 118 -10.715 -0.725 8.501 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.340 1.832 8.399 1.00 0.00 C ATOM 0 H ALA A 118 -10.625 3.493 9.064 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.582 1.078 10.247 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.901 0.928 8.164 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.996 2.548 8.895 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -11.955 2.270 7.478 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.070 0.801 8.364 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.112 -0.099 7.749 1.00 0.00 C ATOM 1901 C ASN A 119 -7.057 -0.552 8.764 1.00 0.00 C ATOM 1902 O ASN A 119 -6.005 -1.072 8.391 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.455 0.638 6.586 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.210 0.448 5.282 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.148 -0.346 5.203 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.814 1.189 4.253 1.00 0.00 N ATOM 0 H ASN A 119 -8.715 1.745 8.519 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.621 -0.994 7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.398 1.701 6.819 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.432 0.283 6.466 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.292 1.112 3.355 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.032 1.835 4.361 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.350 -0.334 10.051 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.438 -0.687 11.144 1.00 0.00 C ATOM 1915 C GLU A 120 -6.158 -2.190 11.266 1.00 0.00 C ATOM 1916 O GLU A 120 -5.080 -2.570 11.708 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.984 -0.161 12.475 1.00 0.00 C ATOM 1918 CG GLU A 120 -6.039 0.795 13.185 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.852 0.085 13.806 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -3.822 -0.066 13.114 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.951 -0.320 14.984 1.00 0.00 O ATOM 0 H GLU A 120 -8.223 0.091 10.363 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.487 -0.214 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.932 0.346 12.294 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.194 -1.006 13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -5.681 1.541 12.475 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -6.585 1.330 13.962 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.110 -3.077 10.921 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.904 -4.525 11.056 1.00 0.00 C ATOM 1930 C PRO A 121 -5.528 -4.995 10.573 1.00 0.00 C ATOM 1931 O PRO A 121 -4.905 -5.847 11.205 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.012 -5.102 10.180 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.121 -4.116 10.305 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.464 -2.763 10.416 1.00 0.00 C ATOM 0 HA PRO A 121 -6.938 -4.844 12.098 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.688 -5.209 9.145 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.317 -6.091 10.522 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.781 -4.159 9.439 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.733 -4.326 11.182 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.425 -2.255 9.452 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.005 -2.109 11.099 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.053 -4.438 9.464 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.748 -4.810 8.925 1.00 0.00 C ATOM 1944 C VAL A 122 -2.617 -4.144 9.699 1.00 0.00 C ATOM 1945 O VAL A 122 -1.673 -4.803 10.130 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.611 -4.427 7.438 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.238 -4.810 6.909 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.700 -5.084 6.609 1.00 0.00 C ATOM 0 H VAL A 122 -5.549 -3.730 8.922 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.676 -5.893 9.026 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.723 -3.346 7.356 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.162 -4.531 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.470 -4.288 7.479 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.096 -5.886 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.583 -4.799 5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.623 -6.167 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.677 -4.758 6.967 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.713 -2.829 9.855 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.689 -2.072 10.556 1.00 0.00 C ATOM 1960 C ILE A 123 -1.631 -2.441 12.031 1.00 0.00 C ATOM 1961 O ILE A 123 -0.571 -2.404 12.638 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.911 -0.553 10.417 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.901 -0.155 8.946 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.834 0.210 11.169 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.555 -0.359 8.288 1.00 0.00 C ATOM 0 H ILE A 123 -3.489 -2.267 9.505 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.739 -2.333 10.090 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.881 -0.302 10.846 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.652 -0.738 8.413 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.188 0.893 8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.004 1.281 11.061 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.868 -0.058 12.225 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.144 -0.044 10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.612 -0.058 7.242 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.195 0.245 8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.276 -1.411 8.348 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.768 -2.798 12.604 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.816 -3.173 14.011 1.00 0.00 C ATOM 1979 C ALA A 124 -1.823 -4.291 14.304 1.00 0.00 C ATOM 1980 O ALA A 124 -1.266 -4.370 15.399 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.224 -3.594 14.400 1.00 0.00 C ATOM 0 H ALA A 124 -3.666 -2.837 12.122 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.537 -2.304 14.608 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.243 -3.871 15.454 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.911 -2.765 14.230 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.529 -4.448 13.795 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.608 -5.156 13.317 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.680 -6.272 13.475 1.00 0.00 C ATOM 1989 C LYS A 125 0.775 -5.826 13.280 1.00 0.00 C ATOM 1990 O LYS A 125 1.653 -6.183 14.066 1.00 0.00 O ATOM 1991 CB LYS A 125 -1.044 -7.408 12.504 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.275 -7.394 11.191 1.00 0.00 C ATOM 1993 CD LYS A 125 -0.867 -8.376 10.190 1.00 0.00 C ATOM 1994 CE LYS A 125 -1.217 -7.695 8.877 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.021 -8.580 7.989 1.00 0.00 N ATOM 0 H LYS A 125 -2.061 -5.107 12.404 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.770 -6.645 14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.870 -8.362 13.001 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.110 -7.353 12.285 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.290 -6.389 10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.769 -7.646 11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -0.155 -9.181 10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.762 -8.833 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.775 -6.781 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.301 -7.402 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.095 -8.150 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.557 -9.508 7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.973 -8.702 8.390 1.00 0.00 H new ATOM 2009 N LEU A 126 1.020 -5.050 12.226 1.00 0.00 N ATOM 2010 CA LEU A 126 2.360 -4.559 11.918 1.00 0.00 C ATOM 2011 C LEU A 126 2.740 -3.375 12.811 1.00 0.00 C ATOM 2012 O LEU A 126 3.917 -3.047 12.957 1.00 0.00 O ATOM 2013 CB LEU A 126 2.434 -4.161 10.441 1.00 0.00 C ATOM 2014 CG LEU A 126 3.541 -3.170 10.074 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.072 -3.463 8.683 1.00 0.00 C ATOM 2016 CD2 LEU A 126 3.022 -1.744 10.157 1.00 0.00 C ATOM 0 H LEU A 126 0.302 -4.747 11.568 1.00 0.00 H new ATOM 0 HA LEU A 126 3.074 -5.359 12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.569 -5.065 9.847 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.476 -3.730 10.152 1.00 0.00 H new ATOM 0 HG LEU A 126 4.359 -3.282 10.786 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.859 -2.750 8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 126 4.477 -4.475 8.654 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.262 -3.375 7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.820 -1.050 9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.189 -1.619 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.684 -1.539 11.173 1.00 0.00 H new ATOM 2028 N LYS A 127 1.738 -2.731 13.393 1.00 0.00 N ATOM 2029 CA LYS A 127 1.963 -1.583 14.260 1.00 0.00 C ATOM 2030 C LYS A 127 2.515 -2.027 15.600 1.00 0.00 C ATOM 2031 O LYS A 127 3.445 -1.425 16.136 1.00 0.00 O ATOM 2032 CB LYS A 127 0.658 -0.833 14.469 1.00 0.00 C ATOM 2033 CG LYS A 127 0.812 0.453 15.261 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.353 1.399 15.019 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.384 2.517 16.047 1.00 0.00 C ATOM 2036 NZ LYS A 127 -1.343 2.231 17.150 1.00 0.00 N ATOM 0 H LYS A 127 0.757 -2.986 13.280 1.00 0.00 H new ATOM 0 HA LYS A 127 2.690 -0.925 13.783 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.223 -0.600 13.497 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.047 -1.485 14.985 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.879 0.221 16.324 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.745 0.944 14.982 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.276 1.825 14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -1.289 0.842 15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 127 0.614 2.657 16.461 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.660 3.452 15.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.334 3.018 17.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.300 2.123 16.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -1.065 1.353 17.633 1.00 0.00 H new ATOM 2050 N ARG A 128 1.947 -3.104 16.124 1.00 0.00 N ATOM 2051 CA ARG A 128 2.393 -3.654 17.391 1.00 0.00 C ATOM 2052 C ARG A 128 3.791 -4.242 17.239 1.00 0.00 C ATOM 2053 O ARG A 128 4.430 -4.612 18.224 1.00 0.00 O ATOM 2054 CB ARG A 128 1.419 -4.727 17.879 1.00 0.00 C ATOM 2055 CG ARG A 128 1.805 -5.339 19.216 1.00 0.00 C ATOM 2056 CD ARG A 128 0.654 -6.129 19.819 1.00 0.00 C ATOM 2057 NE ARG A 128 0.818 -6.325 21.258 1.00 0.00 N ATOM 2058 CZ ARG A 128 -0.142 -6.786 22.057 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.334 -7.097 21.563 1.00 0.00 N ATOM 2060 NH2 ARG A 128 0.090 -6.935 23.354 1.00 0.00 N ATOM 0 H ARG A 128 1.177 -3.612 15.690 1.00 0.00 H new ATOM 0 HA ARG A 128 2.424 -2.853 18.130 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.424 -4.291 17.963 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.359 -5.518 17.131 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.667 -5.993 19.083 1.00 0.00 H new ATOM 0 HG3 ARG A 128 2.107 -4.550 19.905 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -0.283 -5.606 19.629 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.583 -7.099 19.327 1.00 0.00 H new ATOM 0 HE ARG A 128 1.720 -6.095 21.674 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -1.518 -6.983 20.566 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.066 -7.450 22.180 1.00 0.00 H new ATOM 0 HH21 ARG A 128 1.004 -6.696 23.739 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.645 -7.288 23.966 1.00 0.00 H new ATOM 2074 N LEU A 129 4.265 -4.323 15.993 1.00 0.00 N ATOM 2075 CA LEU A 129 5.593 -4.865 15.723 1.00 0.00 C ATOM 2076 C LEU A 129 6.671 -3.998 16.374 1.00 0.00 C ATOM 2077 O LEU A 129 6.366 -3.059 17.109 1.00 0.00 O ATOM 2078 CB LEU A 129 5.824 -4.983 14.209 1.00 0.00 C ATOM 2079 CG LEU A 129 6.914 -4.077 13.630 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.210 -4.454 12.187 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.506 -2.614 13.729 1.00 0.00 C ATOM 0 H LEU A 129 3.752 -4.022 15.164 1.00 0.00 H new ATOM 0 HA LEU A 129 5.656 -5.863 16.157 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.077 -6.018 13.979 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.886 -4.763 13.699 1.00 0.00 H new ATOM 0 HG LEU A 129 7.823 -4.218 14.215 1.00 0.00 H new ATOM 0 HD11 LEU A 129 7.987 -3.800 11.792 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.550 -5.489 12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.305 -4.345 11.589 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.294 -1.987 13.312 1.00 0.00 H new ATOM 0 HD22 LEU A 129 5.583 -2.455 13.171 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.348 -2.350 14.775 1.00 0.00 H new