USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 885 hydrogens (23 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 27 THR OG1 : rot -159:sc= 0.184 USER MOD Set 1.2: A 102 ASN : amide:sc= -2.07 K(o=-1.9,f=-4.1!) USER MOD Set 2.1: A 74 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 61 GLN : amide:sc= -0.893 K(o=-1.6,f=2.2) USER MOD Set 3.2: A 63 TYR OH : rot 165:sc= -0.667 USER MOD Set 4.1: A 36 SER OG : rot 150:sc= 0 USER MOD Set 4.2: A 60 LYS NZ :NH3+ -161:sc= -0.509 (180deg=-1.07) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.0118 X(o=-0.012,f=-0.13) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.407 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.226 K(o=-0.23,f=-0.86) USER MOD Single : A 32 SER OG : rot 180:sc= 0.00387 USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= -0.619 (180deg=-0.912) USER MOD Single : A 40 GLN : amide:sc= -0.165 K(o=-0.17,f=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 176:sc= -1.12 USER MOD Single : A 46 MET CE :methyl -127:sc= -7.29! (180deg=-14!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -2.61 K(o=-2.6,f=-1.2) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.232 USER MOD Single : A 58 MET CE :methyl -164:sc= -0.175 (180deg=-0.754) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -5.17! C(o=-5.2!,f=-12!) USER MOD Single : A 68 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.59) USER MOD Single : A 69 HIS : no HD1:sc= -0.933 K(o=-0.93,f=-2.5) USER MOD Single : A 72 HIS : no HD1:sc= -2.48 X(o=-2.5,f=-2.3) USER MOD Single : A 73 CYS SG : rot -120:sc= -1.81! USER MOD Single : A 75 ASN : amide:sc= -0.273 K(o=-0.27,f=-2.4!) USER MOD Single : A 88 SER OG : rot 13:sc= 0.51! USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -0.293 X(o=-0.29,f=0.067) USER MOD Single : A 96 TYR OH : rot 180:sc= -0.578 USER MOD Single : A 98 MET CE :methyl -125:sc= -4.82! (180deg=-12.8!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 32:sc= 0.601 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 13 -4.174 18.714 1.397 1.00 1.00 N ATOM 2 CA ASN A 13 -5.162 18.077 2.309 1.00 1.00 C ATOM 3 C ASN A 13 -6.555 18.665 2.110 1.00 1.00 C ATOM 4 O ASN A 13 -7.357 18.716 3.042 1.00 1.00 O ATOM 5 CB ASN A 13 -4.700 18.289 3.752 1.00 1.00 C ATOM 6 CG ASN A 13 -3.860 17.136 4.265 1.00 1.00 C ATOM 7 OD1 ASN A 13 -4.389 16.114 4.703 1.00 1.00 O ATOM 8 ND2 ASN A 13 -2.543 17.295 4.214 1.00 1.00 N ATOM 0 HA ASN A 13 -5.221 17.012 2.086 1.00 1.00 H new ATOM 0 HB2 ASN A 13 -4.123 19.211 3.814 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -5.571 18.415 4.395 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -1.927 16.553 4.546 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -2.148 18.159 3.843 1.00 1.00 H new ATOM 17 N HIS A 14 -6.837 19.108 0.889 1.00 1.00 N ATOM 18 CA HIS A 14 -8.134 19.692 0.568 1.00 1.00 C ATOM 19 C HIS A 14 -8.997 18.702 -0.208 1.00 1.00 C ATOM 20 O HIS A 14 -8.481 17.810 -0.882 1.00 1.00 O ATOM 21 CB HIS A 14 -7.952 20.976 -0.245 1.00 1.00 C ATOM 22 CG HIS A 14 -7.989 22.220 0.587 1.00 1.00 C ATOM 23 ND1 HIS A 14 -7.532 22.271 1.888 1.00 1.00 N ATOM 24 CD2 HIS A 14 -8.431 23.467 0.297 1.00 1.00 C ATOM 25 CE1 HIS A 14 -7.693 23.493 2.362 1.00 1.00 C ATOM 26 NE2 HIS A 14 -8.236 24.238 1.417 1.00 1.00 N ATOM 0 H HIS A 14 -6.185 19.074 0.106 1.00 1.00 H new ATOM 0 HA HIS A 14 -8.639 19.932 1.503 1.00 1.00 H new ATOM 0 HB2 HIS A 14 -7.000 20.930 -0.773 1.00 1.00 H new ATOM 0 HB3 HIS A 14 -8.734 21.031 -1.002 1.00 1.00 H new ATOM 0 HD2 HIS A 14 -8.857 23.794 -0.640 1.00 1.00 H new ATOM 0 HE1 HIS A 14 -7.426 23.826 3.354 1.00 1.00 H new ATOM 0 HE2 HIS A 14 -8.473 25.226 1.504 1.00 1.00 H new ATOM 35 N ILE A 15 -10.312 18.866 -0.109 1.00 1.00 N ATOM 36 CA ILE A 15 -11.245 17.985 -0.804 1.00 1.00 C ATOM 37 C ILE A 15 -12.251 18.782 -1.629 1.00 1.00 C ATOM 38 O ILE A 15 -12.558 18.421 -2.765 1.00 1.00 O ATOM 39 CB ILE A 15 -12.009 17.069 0.177 1.00 1.00 C ATOM 40 CG1 ILE A 15 -12.319 17.806 1.484 1.00 1.00 C ATOM 41 CG2 ILE A 15 -11.207 15.807 0.455 1.00 1.00 C ATOM 42 CD1 ILE A 15 -13.691 17.495 2.041 1.00 1.00 C ATOM 0 H ILE A 15 -10.756 19.599 0.444 1.00 1.00 H new ATOM 0 HA ILE A 15 -10.645 17.364 -1.469 1.00 1.00 H new ATOM 0 HB ILE A 15 -12.955 16.787 -0.285 1.00 1.00 H new ATOM 0 HG12 ILE A 15 -11.566 17.544 2.227 1.00 1.00 H new ATOM 0 HG13 ILE A 15 -12.239 18.880 1.314 1.00 1.00 H new ATOM 0 HG21 ILE A 15 -11.758 15.171 1.148 1.00 1.00 H new ATOM 0 HG22 ILE A 15 -11.041 15.268 -0.478 1.00 1.00 H new ATOM 0 HG23 ILE A 15 -10.246 16.076 0.895 1.00 1.00 H new ATOM 0 HD11 ILE A 15 -13.843 18.051 2.966 1.00 1.00 H new ATOM 0 HD12 ILE A 15 -14.452 17.783 1.316 1.00 1.00 H new ATOM 0 HD13 ILE A 15 -13.768 16.427 2.243 1.00 1.00 H new ATOM 54 N SER A 16 -12.761 19.869 -1.053 1.00 1.00 N ATOM 55 CA SER A 16 -13.736 20.719 -1.745 1.00 1.00 C ATOM 56 C SER A 16 -14.847 19.881 -2.374 1.00 1.00 C ATOM 57 O SER A 16 -14.714 19.401 -3.499 1.00 1.00 O ATOM 58 CB SER A 16 -13.039 21.549 -2.824 1.00 1.00 C ATOM 59 OG SER A 16 -13.651 22.819 -2.967 1.00 1.00 O ATOM 0 H SER A 16 -12.519 20.183 -0.113 1.00 1.00 H new ATOM 0 HA SER A 16 -14.184 21.386 -1.009 1.00 1.00 H new ATOM 0 HB2 SER A 16 -11.987 21.676 -2.567 1.00 1.00 H new ATOM 0 HB3 SER A 16 -13.073 21.017 -3.775 1.00 1.00 H new ATOM 0 HG SER A 16 -13.185 23.330 -3.662 1.00 1.00 H new ATOM 65 N THR A 17 -15.942 19.710 -1.639 1.00 1.00 N ATOM 66 CA THR A 17 -17.074 18.929 -2.126 1.00 1.00 C ATOM 67 C THR A 17 -16.676 17.469 -2.329 1.00 1.00 C ATOM 68 O THR A 17 -15.640 17.024 -1.835 1.00 1.00 O ATOM 69 CB THR A 17 -17.603 19.518 -3.436 1.00 1.00 C ATOM 70 OG1 THR A 17 -17.182 20.862 -3.589 1.00 1.00 O ATOM 71 CG2 THR A 17 -19.113 19.497 -3.535 1.00 1.00 C ATOM 0 H THR A 17 -16.069 20.101 -0.706 1.00 1.00 H new ATOM 0 HA THR A 17 -17.864 18.970 -1.377 1.00 1.00 H new ATOM 0 HB THR A 17 -17.194 18.884 -4.223 1.00 1.00 H new ATOM 0 HG1 THR A 17 -17.529 21.219 -4.433 1.00 1.00 H new ATOM 0 HG21 THR A 17 -19.421 19.929 -4.487 1.00 1.00 H new ATOM 0 HG22 THR A 17 -19.468 18.468 -3.471 1.00 1.00 H new ATOM 0 HG23 THR A 17 -19.539 20.079 -2.718 1.00 1.00 H new ATOM 79 N SER A 18 -17.506 16.726 -3.058 1.00 1.00 N ATOM 80 CA SER A 18 -17.238 15.316 -3.324 1.00 1.00 C ATOM 81 C SER A 18 -15.858 15.129 -3.949 1.00 1.00 C ATOM 82 O SER A 18 -15.635 15.489 -5.104 1.00 1.00 O ATOM 83 CB SER A 18 -18.311 14.738 -4.249 1.00 1.00 C ATOM 84 OG SER A 18 -19.524 14.520 -3.549 1.00 1.00 O ATOM 0 H SER A 18 -18.368 17.077 -3.474 1.00 1.00 H new ATOM 0 HA SER A 18 -17.260 14.784 -2.373 1.00 1.00 H new ATOM 0 HB2 SER A 18 -18.485 15.421 -5.081 1.00 1.00 H new ATOM 0 HB3 SER A 18 -17.960 13.799 -4.676 1.00 1.00 H new ATOM 0 HG SER A 18 -20.194 14.152 -4.162 1.00 1.00 H new ATOM 90 N ASP A 19 -14.937 14.563 -3.176 1.00 1.00 N ATOM 91 CA ASP A 19 -13.579 14.328 -3.652 1.00 1.00 C ATOM 92 C ASP A 19 -13.538 13.155 -4.626 1.00 1.00 C ATOM 93 O ASP A 19 -14.576 12.607 -4.997 1.00 1.00 O ATOM 94 CB ASP A 19 -12.642 14.060 -2.473 1.00 1.00 C ATOM 95 CG ASP A 19 -11.272 14.679 -2.670 1.00 1.00 C ATOM 96 OD1 ASP A 19 -11.190 15.749 -3.309 1.00 1.00 O ATOM 97 OD2 ASP A 19 -10.281 14.093 -2.186 1.00 1.00 O ATOM 0 H ASP A 19 -15.106 14.259 -2.217 1.00 1.00 H new ATOM 0 HA ASP A 19 -13.245 15.223 -4.176 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -13.088 14.456 -1.561 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -12.535 12.984 -2.335 1.00 1.00 H new ATOM 102 N GLN A 20 -12.332 12.775 -5.036 1.00 1.00 N ATOM 103 CA GLN A 20 -12.153 11.669 -5.966 1.00 1.00 C ATOM 104 C GLN A 20 -11.434 10.504 -5.288 1.00 1.00 C ATOM 105 O GLN A 20 -10.314 10.654 -4.798 1.00 1.00 O ATOM 106 CB GLN A 20 -11.368 12.143 -7.196 1.00 1.00 C ATOM 107 CG GLN A 20 -10.713 11.020 -7.984 1.00 1.00 C ATOM 108 CD GLN A 20 -9.966 11.522 -9.204 1.00 1.00 C ATOM 109 OE1 GLN A 20 -8.976 12.244 -9.087 1.00 1.00 O ATOM 110 NE2 GLN A 20 -10.438 11.141 -10.386 1.00 1.00 N ATOM 0 H GLN A 20 -11.463 13.219 -4.737 1.00 1.00 H new ATOM 0 HA GLN A 20 -13.134 11.320 -6.287 1.00 1.00 H new ATOM 0 HB2 GLN A 20 -12.042 12.690 -7.855 1.00 1.00 H new ATOM 0 HB3 GLN A 20 -10.598 12.844 -6.874 1.00 1.00 H new ATOM 0 HG2 GLN A 20 -10.022 10.481 -7.336 1.00 1.00 H new ATOM 0 HG3 GLN A 20 -11.476 10.308 -8.298 1.00 1.00 H new ATOM 0 HE21 GLN A 20 -11.262 10.542 -10.437 1.00 1.00 H new ATOM 0 HE22 GLN A 20 -9.977 11.448 -11.242 1.00 1.00 H new ATOM 119 N GLU A 21 -12.085 9.345 -5.266 1.00 1.00 N ATOM 120 CA GLU A 21 -11.508 8.154 -4.651 1.00 1.00 C ATOM 121 C GLU A 21 -11.146 8.410 -3.191 1.00 1.00 C ATOM 122 O GLU A 21 -11.203 9.544 -2.716 1.00 1.00 O ATOM 123 CB GLU A 21 -10.265 7.709 -5.425 1.00 1.00 C ATOM 124 CG GLU A 21 -10.489 7.599 -6.924 1.00 1.00 C ATOM 125 CD GLU A 21 -9.298 7.006 -7.650 1.00 1.00 C ATOM 126 OE1 GLU A 21 -8.160 7.184 -7.168 1.00 1.00 O ATOM 127 OE2 GLU A 21 -9.503 6.362 -8.700 1.00 1.00 O ATOM 0 H GLU A 21 -13.012 9.205 -5.667 1.00 1.00 H new ATOM 0 HA GLU A 21 -12.256 7.362 -4.685 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -9.458 8.417 -5.238 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -9.936 6.742 -5.043 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -11.368 6.982 -7.112 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -10.701 8.588 -7.329 1.00 1.00 H new ATOM 134 N LYS A 22 -10.772 7.347 -2.486 1.00 1.00 N ATOM 135 CA LYS A 22 -10.397 7.455 -1.081 1.00 1.00 C ATOM 136 C LYS A 22 -8.884 7.369 -0.917 1.00 1.00 C ATOM 137 O LYS A 22 -8.275 6.340 -1.209 1.00 1.00 O ATOM 138 CB LYS A 22 -11.075 6.354 -0.262 1.00 1.00 C ATOM 139 CG LYS A 22 -11.051 4.991 -0.934 1.00 1.00 C ATOM 140 CD LYS A 22 -12.277 4.780 -1.808 1.00 1.00 C ATOM 141 CE LYS A 22 -12.060 3.662 -2.816 1.00 1.00 C ATOM 142 NZ LYS A 22 -11.901 4.186 -4.201 1.00 1.00 N ATOM 0 H LYS A 22 -10.721 6.401 -2.865 1.00 1.00 H new ATOM 0 HA LYS A 22 -10.731 8.426 -0.715 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -10.583 6.280 0.708 1.00 1.00 H new ATOM 0 HB3 LYS A 22 -12.110 6.638 -0.074 1.00 1.00 H new ATOM 0 HG2 LYS A 22 -10.150 4.899 -1.541 1.00 1.00 H new ATOM 0 HG3 LYS A 22 -11.005 4.210 -0.175 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -13.136 4.543 -1.180 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -12.513 5.705 -2.335 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -11.173 3.091 -2.540 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -12.905 2.974 -2.783 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -11.755 3.393 -4.858 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -12.757 4.709 -4.475 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -11.079 4.822 -4.239 1.00 1.00 H new ATOM 156 N LEU A 23 -8.281 8.458 -0.452 1.00 1.00 N ATOM 157 CA LEU A 23 -6.837 8.507 -0.254 1.00 1.00 C ATOM 158 C LEU A 23 -6.457 8.005 1.135 1.00 1.00 C ATOM 159 O LEU A 23 -6.919 8.536 2.145 1.00 1.00 O ATOM 160 CB LEU A 23 -6.318 9.934 -0.445 1.00 1.00 C ATOM 161 CG LEU A 23 -6.979 10.727 -1.576 1.00 1.00 C ATOM 162 CD1 LEU A 23 -7.122 12.190 -1.188 1.00 1.00 C ATOM 163 CD2 LEU A 23 -6.177 10.592 -2.862 1.00 1.00 C ATOM 0 H LEU A 23 -8.770 9.319 -0.205 1.00 1.00 H new ATOM 0 HA LEU A 23 -6.378 7.856 -0.997 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -6.456 10.481 0.488 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -5.245 9.890 -0.633 1.00 1.00 H new ATOM 0 HG LEU A 23 -7.975 10.317 -1.747 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -7.594 12.738 -2.004 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -7.738 12.270 -0.293 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -6.137 12.612 -0.989 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -6.662 11.162 -3.655 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -5.169 10.975 -2.704 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -6.125 9.542 -3.150 1.00 1.00 H new ATOM 175 N VAL A 24 -5.602 6.988 1.178 1.00 1.00 N ATOM 176 CA VAL A 24 -5.151 6.427 2.445 1.00 1.00 C ATOM 177 C VAL A 24 -3.770 6.962 2.805 1.00 1.00 C ATOM 178 O VAL A 24 -3.094 7.564 1.970 1.00 1.00 O ATOM 179 CB VAL A 24 -5.107 4.888 2.407 1.00 1.00 C ATOM 180 CG1 VAL A 24 -6.509 4.313 2.537 1.00 1.00 C ATOM 181 CG2 VAL A 24 -4.436 4.399 1.132 1.00 1.00 C ATOM 0 H VAL A 24 -5.209 6.537 0.352 1.00 1.00 H new ATOM 0 HA VAL A 24 -5.872 6.731 3.204 1.00 1.00 H new ATOM 0 HB VAL A 24 -4.515 4.539 3.253 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -6.460 3.224 2.508 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -6.947 4.632 3.483 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -7.127 4.670 1.713 1.00 1.00 H new ATOM 0 HG21 VAL A 24 -4.416 3.309 1.126 1.00 1.00 H new ATOM 0 HG22 VAL A 24 -4.995 4.756 0.267 1.00 1.00 H new ATOM 0 HG23 VAL A 24 -3.416 4.781 1.088 1.00 1.00 H new ATOM 191 N GLN A 25 -3.357 6.754 4.050 1.00 1.00 N ATOM 192 CA GLN A 25 -2.060 7.235 4.508 1.00 1.00 C ATOM 193 C GLN A 25 -1.118 6.079 4.846 1.00 1.00 C ATOM 194 O GLN A 25 -1.214 5.484 5.918 1.00 1.00 O ATOM 195 CB GLN A 25 -2.237 8.135 5.731 1.00 1.00 C ATOM 196 CG GLN A 25 -0.989 8.925 6.090 1.00 1.00 C ATOM 197 CD GLN A 25 -1.015 10.338 5.540 1.00 1.00 C ATOM 198 OE1 GLN A 25 -2.051 11.003 5.556 1.00 1.00 O ATOM 199 NE2 GLN A 25 0.128 10.803 5.051 1.00 1.00 N ATOM 0 H GLN A 25 -3.899 6.258 4.757 1.00 1.00 H new ATOM 0 HA GLN A 25 -1.612 7.807 3.695 1.00 1.00 H new ATOM 0 HB2 GLN A 25 -3.056 8.830 5.545 1.00 1.00 H new ATOM 0 HB3 GLN A 25 -2.527 7.522 6.584 1.00 1.00 H new ATOM 0 HG2 GLN A 25 -0.887 8.963 7.175 1.00 1.00 H new ATOM 0 HG3 GLN A 25 -0.111 8.405 5.705 1.00 1.00 H new ATOM 0 HE21 GLN A 25 0.962 10.216 5.058 1.00 1.00 H new ATOM 0 HE22 GLN A 25 0.172 11.747 4.668 1.00 1.00 H new ATOM 208 N PRO A 26 -0.185 5.747 3.935 1.00 1.00 N ATOM 209 CA PRO A 26 0.781 4.664 4.152 1.00 1.00 C ATOM 210 C PRO A 26 1.721 4.964 5.313 1.00 1.00 C ATOM 211 O PRO A 26 2.280 6.058 5.401 1.00 1.00 O ATOM 212 CB PRO A 26 1.574 4.611 2.838 1.00 1.00 C ATOM 213 CG PRO A 26 0.737 5.344 1.846 1.00 1.00 C ATOM 214 CD PRO A 26 0.008 6.395 2.629 1.00 1.00 C ATOM 0 HA PRO A 26 0.286 3.726 4.404 1.00 1.00 H new ATOM 0 HB2 PRO A 26 2.552 5.078 2.949 1.00 1.00 H new ATOM 0 HB3 PRO A 26 1.746 3.582 2.523 1.00 1.00 H new ATOM 0 HG2 PRO A 26 1.355 5.793 1.068 1.00 1.00 H new ATOM 0 HG3 PRO A 26 0.038 4.671 1.349 1.00 1.00 H new ATOM 0 HD2 PRO A 26 0.589 7.313 2.714 1.00 1.00 H new ATOM 0 HD3 PRO A 26 -0.941 6.661 2.164 1.00 1.00 H new ATOM 222 N THR A 27 1.902 3.991 6.201 1.00 1.00 N ATOM 223 CA THR A 27 2.787 4.164 7.348 1.00 1.00 C ATOM 224 C THR A 27 4.147 4.698 6.900 1.00 1.00 C ATOM 225 O THR A 27 4.527 4.547 5.739 1.00 1.00 O ATOM 226 CB THR A 27 2.965 2.837 8.088 1.00 1.00 C ATOM 227 OG1 THR A 27 3.327 1.805 7.187 1.00 1.00 O ATOM 228 CG2 THR A 27 1.720 2.389 8.822 1.00 1.00 C ATOM 0 H THR A 27 1.450 3.078 6.149 1.00 1.00 H new ATOM 0 HA THR A 27 2.333 4.888 8.025 1.00 1.00 H new ATOM 0 HB THR A 27 3.753 3.018 8.819 1.00 1.00 H new ATOM 0 HG1 THR A 27 3.123 0.934 7.588 1.00 1.00 H new ATOM 0 HG21 THR A 27 1.915 1.442 9.325 1.00 1.00 H new ATOM 0 HG22 THR A 27 1.442 3.141 9.560 1.00 1.00 H new ATOM 0 HG23 THR A 27 0.904 2.261 8.110 1.00 1.00 H new ATOM 236 N PRO A 28 4.900 5.334 7.813 1.00 1.00 N ATOM 237 CA PRO A 28 6.218 5.890 7.496 1.00 1.00 C ATOM 238 C PRO A 28 7.080 4.920 6.694 1.00 1.00 C ATOM 239 O PRO A 28 7.839 5.330 5.815 1.00 1.00 O ATOM 240 CB PRO A 28 6.828 6.144 8.873 1.00 1.00 C ATOM 241 CG PRO A 28 5.657 6.405 9.758 1.00 1.00 C ATOM 242 CD PRO A 28 4.528 5.563 9.223 1.00 1.00 C ATOM 0 HA PRO A 28 6.150 6.782 6.874 1.00 1.00 H new ATOM 0 HB2 PRO A 28 7.402 5.284 9.218 1.00 1.00 H new ATOM 0 HB3 PRO A 28 7.509 6.995 8.855 1.00 1.00 H new ATOM 0 HG2 PRO A 28 5.884 6.141 10.791 1.00 1.00 H new ATOM 0 HG3 PRO A 28 5.391 7.462 9.750 1.00 1.00 H new ATOM 0 HD2 PRO A 28 4.434 4.625 9.770 1.00 1.00 H new ATOM 0 HD3 PRO A 28 3.571 6.077 9.306 1.00 1.00 H new ATOM 250 N LEU A 29 6.953 3.632 6.995 1.00 1.00 N ATOM 251 CA LEU A 29 7.716 2.606 6.293 1.00 1.00 C ATOM 252 C LEU A 29 7.214 2.456 4.862 1.00 1.00 C ATOM 253 O LEU A 29 7.967 2.641 3.904 1.00 1.00 O ATOM 254 CB LEU A 29 7.616 1.269 7.030 1.00 1.00 C ATOM 255 CG LEU A 29 8.461 0.135 6.443 1.00 1.00 C ATOM 256 CD1 LEU A 29 9.884 0.607 6.175 1.00 1.00 C ATOM 257 CD2 LEU A 29 8.463 -1.063 7.381 1.00 1.00 C ATOM 0 H LEU A 29 6.330 3.274 7.719 1.00 1.00 H new ATOM 0 HA LEU A 29 8.762 2.912 6.266 1.00 1.00 H new ATOM 0 HB2 LEU A 29 7.913 1.422 8.068 1.00 1.00 H new ATOM 0 HB3 LEU A 29 6.572 0.955 7.040 1.00 1.00 H new ATOM 0 HG LEU A 29 8.019 -0.168 5.494 1.00 1.00 H new ATOM 0 HD11 LEU A 29 10.467 -0.214 5.758 1.00 1.00 H new ATOM 0 HD12 LEU A 29 9.865 1.435 5.466 1.00 1.00 H new ATOM 0 HD13 LEU A 29 10.339 0.938 7.108 1.00 1.00 H new ATOM 0 HD21 LEU A 29 9.068 -1.861 6.950 1.00 1.00 H new ATOM 0 HD22 LEU A 29 8.881 -0.770 8.344 1.00 1.00 H new ATOM 0 HD23 LEU A 29 7.442 -1.417 7.521 1.00 1.00 H new ATOM 269 N LEU A 30 5.930 2.135 4.721 1.00 1.00 N ATOM 270 CA LEU A 30 5.323 1.977 3.404 1.00 1.00 C ATOM 271 C LEU A 30 5.531 3.241 2.575 1.00 1.00 C ATOM 272 O LEU A 30 5.767 3.179 1.369 1.00 1.00 O ATOM 273 CB LEU A 30 3.828 1.677 3.541 1.00 1.00 C ATOM 274 CG LEU A 30 3.091 1.421 2.224 1.00 1.00 C ATOM 275 CD1 LEU A 30 3.838 0.400 1.380 1.00 1.00 C ATOM 276 CD2 LEU A 30 1.669 0.952 2.495 1.00 1.00 C ATOM 0 H LEU A 30 5.292 1.980 5.501 1.00 1.00 H new ATOM 0 HA LEU A 30 5.802 1.140 2.897 1.00 1.00 H new ATOM 0 HB2 LEU A 30 3.706 0.804 4.182 1.00 1.00 H new ATOM 0 HB3 LEU A 30 3.351 2.515 4.049 1.00 1.00 H new ATOM 0 HG LEU A 30 3.047 2.357 1.667 1.00 1.00 H new ATOM 0 HD11 LEU A 30 3.297 0.233 0.448 1.00 1.00 H new ATOM 0 HD12 LEU A 30 4.838 0.773 1.157 1.00 1.00 H new ATOM 0 HD13 LEU A 30 3.915 -0.539 1.928 1.00 1.00 H new ATOM 0 HD21 LEU A 30 1.158 0.774 1.549 1.00 1.00 H new ATOM 0 HD22 LEU A 30 1.694 0.028 3.073 1.00 1.00 H new ATOM 0 HD23 LEU A 30 1.135 1.717 3.058 1.00 1.00 H new ATOM 288 N LEU A 31 5.447 4.387 3.245 1.00 1.00 N ATOM 289 CA LEU A 31 5.630 5.683 2.599 1.00 1.00 C ATOM 290 C LEU A 31 6.905 5.709 1.756 1.00 1.00 C ATOM 291 O LEU A 31 6.849 5.821 0.532 1.00 1.00 O ATOM 292 CB LEU A 31 5.685 6.790 3.657 1.00 1.00 C ATOM 293 CG LEU A 31 4.465 7.709 3.700 1.00 1.00 C ATOM 294 CD1 LEU A 31 4.625 8.757 4.791 1.00 1.00 C ATOM 295 CD2 LEU A 31 4.251 8.372 2.348 1.00 1.00 C ATOM 0 H LEU A 31 5.251 4.444 4.244 1.00 1.00 H new ATOM 0 HA LEU A 31 4.781 5.852 1.936 1.00 1.00 H new ATOM 0 HB2 LEU A 31 5.807 6.328 4.637 1.00 1.00 H new ATOM 0 HB3 LEU A 31 6.572 7.398 3.478 1.00 1.00 H new ATOM 0 HG LEU A 31 3.586 7.106 3.930 1.00 1.00 H new ATOM 0 HD11 LEU A 31 3.747 9.403 4.807 1.00 1.00 H new ATOM 0 HD12 LEU A 31 4.730 8.263 5.757 1.00 1.00 H new ATOM 0 HD13 LEU A 31 5.513 9.357 4.592 1.00 1.00 H new ATOM 0 HD21 LEU A 31 3.378 9.023 2.396 1.00 1.00 H new ATOM 0 HD22 LEU A 31 5.130 8.962 2.089 1.00 1.00 H new ATOM 0 HD23 LEU A 31 4.091 7.607 1.589 1.00 1.00 H new ATOM 307 N SER A 32 8.052 5.612 2.426 1.00 1.00 N ATOM 308 CA SER A 32 9.349 5.632 1.749 1.00 1.00 C ATOM 309 C SER A 32 9.354 4.729 0.518 1.00 1.00 C ATOM 310 O SER A 32 9.866 5.108 -0.535 1.00 1.00 O ATOM 311 CB SER A 32 10.456 5.203 2.713 1.00 1.00 C ATOM 312 OG SER A 32 10.370 5.912 3.937 1.00 1.00 O ATOM 0 H SER A 32 8.110 5.518 3.440 1.00 1.00 H new ATOM 0 HA SER A 32 9.533 6.654 1.418 1.00 1.00 H new ATOM 0 HB2 SER A 32 10.382 4.132 2.903 1.00 1.00 H new ATOM 0 HB3 SER A 32 11.429 5.379 2.255 1.00 1.00 H new ATOM 0 HG SER A 32 11.088 5.618 4.536 1.00 1.00 H new ATOM 318 N LEU A 33 8.777 3.535 0.642 1.00 1.00 N ATOM 319 CA LEU A 33 8.725 2.608 -0.489 1.00 1.00 C ATOM 320 C LEU A 33 8.128 3.312 -1.701 1.00 1.00 C ATOM 321 O LEU A 33 8.530 3.071 -2.839 1.00 1.00 O ATOM 322 CB LEU A 33 7.907 1.356 -0.155 1.00 1.00 C ATOM 323 CG LEU A 33 7.907 0.939 1.319 1.00 1.00 C ATOM 324 CD1 LEU A 33 7.219 -0.406 1.492 1.00 1.00 C ATOM 325 CD2 LEU A 33 9.329 0.884 1.858 1.00 1.00 C ATOM 0 H LEU A 33 8.345 3.190 1.499 1.00 1.00 H new ATOM 0 HA LEU A 33 9.743 2.289 -0.712 1.00 1.00 H new ATOM 0 HB2 LEU A 33 6.876 1.524 -0.467 1.00 1.00 H new ATOM 0 HB3 LEU A 33 8.288 0.525 -0.749 1.00 1.00 H new ATOM 0 HG LEU A 33 7.352 1.685 1.888 1.00 1.00 H new ATOM 0 HD11 LEU A 33 7.228 -0.687 2.545 1.00 1.00 H new ATOM 0 HD12 LEU A 33 6.188 -0.335 1.144 1.00 1.00 H new ATOM 0 HD13 LEU A 33 7.747 -1.162 0.910 1.00 1.00 H new ATOM 0 HD21 LEU A 33 9.309 0.586 2.906 1.00 1.00 H new ATOM 0 HD22 LEU A 33 9.907 0.159 1.285 1.00 1.00 H new ATOM 0 HD23 LEU A 33 9.790 1.868 1.769 1.00 1.00 H new ATOM 337 N LEU A 34 7.181 4.209 -1.437 1.00 1.00 N ATOM 338 CA LEU A 34 6.541 4.983 -2.490 1.00 1.00 C ATOM 339 C LEU A 34 7.468 6.109 -2.927 1.00 1.00 C ATOM 340 O LEU A 34 7.526 6.468 -4.102 1.00 1.00 O ATOM 341 CB LEU A 34 5.209 5.563 -2.000 1.00 1.00 C ATOM 342 CG LEU A 34 4.318 4.585 -1.232 1.00 1.00 C ATOM 343 CD1 LEU A 34 3.112 5.305 -0.650 1.00 1.00 C ATOM 344 CD2 LEU A 34 3.874 3.447 -2.138 1.00 1.00 C ATOM 0 H LEU A 34 6.841 4.416 -0.498 1.00 1.00 H new ATOM 0 HA LEU A 34 6.340 4.327 -3.337 1.00 1.00 H new ATOM 0 HB2 LEU A 34 5.418 6.420 -1.359 1.00 1.00 H new ATOM 0 HB3 LEU A 34 4.654 5.936 -2.861 1.00 1.00 H new ATOM 0 HG LEU A 34 4.897 4.165 -0.409 1.00 1.00 H new ATOM 0 HD11 LEU A 34 2.490 4.593 -0.107 1.00 1.00 H new ATOM 0 HD12 LEU A 34 3.449 6.086 0.032 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.531 5.753 -1.457 1.00 1.00 H new ATOM 0 HD21 LEU A 34 3.241 2.760 -1.576 1.00 1.00 H new ATOM 0 HD22 LEU A 34 3.313 3.851 -2.981 1.00 1.00 H new ATOM 0 HD23 LEU A 34 4.750 2.913 -2.507 1.00 1.00 H new ATOM 356 N LYS A 35 8.203 6.652 -1.960 1.00 1.00 N ATOM 357 CA LYS A 35 9.146 7.733 -2.218 1.00 1.00 C ATOM 358 C LYS A 35 10.164 7.318 -3.276 1.00 1.00 C ATOM 359 O LYS A 35 10.579 8.127 -4.106 1.00 1.00 O ATOM 360 CB LYS A 35 9.867 8.118 -0.921 1.00 1.00 C ATOM 361 CG LYS A 35 9.122 9.141 -0.075 1.00 1.00 C ATOM 362 CD LYS A 35 7.655 8.779 0.093 1.00 1.00 C ATOM 363 CE LYS A 35 6.879 9.899 0.768 1.00 1.00 C ATOM 364 NZ LYS A 35 7.263 10.059 2.198 1.00 1.00 N ATOM 0 H LYS A 35 8.162 6.357 -0.984 1.00 1.00 H new ATOM 0 HA LYS A 35 8.592 8.595 -2.590 1.00 1.00 H new ATOM 0 HB2 LYS A 35 10.027 7.219 -0.326 1.00 1.00 H new ATOM 0 HB3 LYS A 35 10.851 8.516 -1.169 1.00 1.00 H new ATOM 0 HG2 LYS A 35 9.593 9.213 0.906 1.00 1.00 H new ATOM 0 HG3 LYS A 35 9.202 10.124 -0.540 1.00 1.00 H new ATOM 0 HD2 LYS A 35 7.217 8.568 -0.883 1.00 1.00 H new ATOM 0 HD3 LYS A 35 7.569 7.868 0.685 1.00 1.00 H new ATOM 0 HE2 LYS A 35 7.057 10.835 0.238 1.00 1.00 H new ATOM 0 HE3 LYS A 35 5.811 9.692 0.700 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 6.459 10.446 2.732 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 7.527 9.134 2.592 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 8.071 10.709 2.270 1.00 1.00 H new ATOM 378 N SER A 36 10.558 6.049 -3.238 1.00 1.00 N ATOM 379 CA SER A 36 11.524 5.518 -4.192 1.00 1.00 C ATOM 380 C SER A 36 10.819 4.908 -5.402 1.00 1.00 C ATOM 381 O SER A 36 11.410 4.771 -6.473 1.00 1.00 O ATOM 382 CB SER A 36 12.412 4.468 -3.518 1.00 1.00 C ATOM 383 OG SER A 36 13.783 4.809 -3.634 1.00 1.00 O ATOM 0 H SER A 36 10.222 5.369 -2.556 1.00 1.00 H new ATOM 0 HA SER A 36 12.147 6.343 -4.538 1.00 1.00 H new ATOM 0 HB2 SER A 36 12.143 4.382 -2.465 1.00 1.00 H new ATOM 0 HB3 SER A 36 12.237 3.493 -3.973 1.00 1.00 H new ATOM 0 HG SER A 36 14.273 4.461 -2.860 1.00 1.00 H new ATOM 389 N ALA A 37 9.552 4.542 -5.224 1.00 1.00 N ATOM 390 CA ALA A 37 8.769 3.947 -6.302 1.00 1.00 C ATOM 391 C ALA A 37 8.208 5.013 -7.243 1.00 1.00 C ATOM 392 O ALA A 37 7.512 4.694 -8.207 1.00 1.00 O ATOM 393 CB ALA A 37 7.641 3.102 -5.728 1.00 1.00 C ATOM 0 H ALA A 37 9.047 4.647 -4.344 1.00 1.00 H new ATOM 0 HA ALA A 37 9.433 3.308 -6.884 1.00 1.00 H new ATOM 0 HB1 ALA A 37 7.064 2.664 -6.542 1.00 1.00 H new ATOM 0 HB2 ALA A 37 8.060 2.307 -5.111 1.00 1.00 H new ATOM 0 HB3 ALA A 37 6.990 3.729 -5.119 1.00 1.00 H new ATOM 399 N GLY A 38 8.511 6.280 -6.962 1.00 1.00 N ATOM 400 CA GLY A 38 8.021 7.360 -7.798 1.00 1.00 C ATOM 401 C GLY A 38 6.854 8.090 -7.166 1.00 1.00 C ATOM 402 O GLY A 38 5.913 8.487 -7.854 1.00 1.00 O ATOM 0 H GLY A 38 9.085 6.575 -6.172 1.00 1.00 H new ATOM 0 HA2 GLY A 38 8.830 8.066 -7.987 1.00 1.00 H new ATOM 0 HA3 GLY A 38 7.716 6.959 -8.765 1.00 1.00 H new ATOM 406 N ALA A 39 6.914 8.262 -5.850 1.00 1.00 N ATOM 407 CA ALA A 39 5.855 8.942 -5.116 1.00 1.00 C ATOM 408 C ALA A 39 6.373 10.237 -4.480 1.00 1.00 C ATOM 409 O ALA A 39 7.540 10.314 -4.094 1.00 1.00 O ATOM 410 CB ALA A 39 5.285 8.019 -4.050 1.00 1.00 C ATOM 0 H ALA A 39 7.687 7.939 -5.269 1.00 1.00 H new ATOM 0 HA ALA A 39 5.064 9.204 -5.818 1.00 1.00 H new ATOM 0 HB1 ALA A 39 4.494 8.536 -3.506 1.00 1.00 H new ATOM 0 HB2 ALA A 39 4.877 7.126 -4.523 1.00 1.00 H new ATOM 0 HB3 ALA A 39 6.075 7.733 -3.356 1.00 1.00 H new ATOM 416 N GLN A 40 5.514 11.257 -4.370 1.00 1.00 N ATOM 417 CA GLN A 40 5.919 12.528 -3.779 1.00 1.00 C ATOM 418 C GLN A 40 5.142 12.810 -2.497 1.00 1.00 C ATOM 419 O GLN A 40 5.717 12.859 -1.409 1.00 1.00 O ATOM 420 CB GLN A 40 5.706 13.667 -4.778 1.00 1.00 C ATOM 421 CG GLN A 40 6.571 13.554 -6.023 1.00 1.00 C ATOM 422 CD GLN A 40 7.908 14.252 -5.869 1.00 1.00 C ATOM 423 OE1 GLN A 40 8.031 15.227 -5.127 1.00 1.00 O ATOM 424 NE2 GLN A 40 8.919 13.754 -6.571 1.00 1.00 N ATOM 0 H GLN A 40 4.543 11.224 -4.681 1.00 1.00 H new ATOM 0 HA GLN A 40 6.978 12.461 -3.530 1.00 1.00 H new ATOM 0 HB2 GLN A 40 4.657 13.687 -5.075 1.00 1.00 H new ATOM 0 HB3 GLN A 40 5.916 14.616 -4.285 1.00 1.00 H new ATOM 0 HG2 GLN A 40 6.739 12.501 -6.250 1.00 1.00 H new ATOM 0 HG3 GLN A 40 6.037 13.982 -6.872 1.00 1.00 H new ATOM 0 HE21 GLN A 40 8.772 12.944 -7.174 1.00 1.00 H new ATOM 0 HE22 GLN A 40 9.843 14.181 -6.508 1.00 1.00 H new ATOM 433 N LYS A 41 3.832 12.998 -2.631 1.00 1.00 N ATOM 434 CA LYS A 41 2.976 13.279 -1.482 1.00 1.00 C ATOM 435 C LYS A 41 3.106 12.192 -0.419 1.00 1.00 C ATOM 436 O LYS A 41 3.859 11.233 -0.587 1.00 1.00 O ATOM 437 CB LYS A 41 1.516 13.408 -1.923 1.00 1.00 C ATOM 438 CG LYS A 41 0.945 12.134 -2.524 1.00 1.00 C ATOM 439 CD LYS A 41 1.160 12.081 -4.027 1.00 1.00 C ATOM 440 CE LYS A 41 0.001 11.395 -4.732 1.00 1.00 C ATOM 441 NZ LYS A 41 0.296 11.141 -6.169 1.00 1.00 N ATOM 0 H LYS A 41 3.340 12.961 -3.524 1.00 1.00 H new ATOM 0 HA LYS A 41 3.301 14.224 -1.046 1.00 1.00 H new ATOM 0 HB2 LYS A 41 0.910 13.697 -1.064 1.00 1.00 H new ATOM 0 HB3 LYS A 41 1.436 14.212 -2.655 1.00 1.00 H new ATOM 0 HG2 LYS A 41 1.415 11.268 -2.058 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -0.121 12.074 -2.306 1.00 1.00 H new ATOM 0 HD2 LYS A 41 1.275 13.093 -4.415 1.00 1.00 H new ATOM 0 HD3 LYS A 41 2.086 11.549 -4.245 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -0.219 10.450 -4.234 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -0.892 12.014 -4.649 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -0.519 10.672 -6.613 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 0.481 12.044 -6.650 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 1.133 10.529 -6.249 1.00 1.00 H new ATOM 455 N GLU A 42 2.370 12.352 0.676 1.00 1.00 N ATOM 456 CA GLU A 42 2.404 11.387 1.770 1.00 1.00 C ATOM 457 C GLU A 42 1.184 10.470 1.738 1.00 1.00 C ATOM 458 O GLU A 42 1.219 9.361 2.268 1.00 1.00 O ATOM 459 CB GLU A 42 2.473 12.114 3.114 1.00 1.00 C ATOM 460 CG GLU A 42 3.539 13.195 3.167 1.00 1.00 C ATOM 461 CD GLU A 42 4.936 12.628 3.327 1.00 1.00 C ATOM 462 OE1 GLU A 42 5.149 11.829 4.263 1.00 1.00 O ATOM 463 OE2 GLU A 42 5.818 12.984 2.516 1.00 1.00 O ATOM 0 H GLU A 42 1.742 13.141 0.830 1.00 1.00 H new ATOM 0 HA GLU A 42 3.296 10.772 1.646 1.00 1.00 H new ATOM 0 HB2 GLU A 42 1.502 12.562 3.325 1.00 1.00 H new ATOM 0 HB3 GLU A 42 2.666 11.386 3.902 1.00 1.00 H new ATOM 0 HG2 GLU A 42 3.494 13.789 2.254 1.00 1.00 H new ATOM 0 HG3 GLU A 42 3.327 13.869 3.997 1.00 1.00 H new ATOM 470 N THR A 43 0.105 10.938 1.117 1.00 1.00 N ATOM 471 CA THR A 43 -1.121 10.152 1.024 1.00 1.00 C ATOM 472 C THR A 43 -1.315 9.611 -0.389 1.00 1.00 C ATOM 473 O THR A 43 -0.895 10.232 -1.365 1.00 1.00 O ATOM 474 CB THR A 43 -2.329 10.998 1.429 1.00 1.00 C ATOM 475 OG1 THR A 43 -1.918 12.165 2.120 1.00 1.00 O ATOM 476 CG2 THR A 43 -3.306 10.260 2.319 1.00 1.00 C ATOM 0 H THR A 43 0.055 11.854 0.672 1.00 1.00 H new ATOM 0 HA THR A 43 -1.033 9.308 1.708 1.00 1.00 H new ATOM 0 HB THR A 43 -2.830 11.249 0.494 1.00 1.00 H new ATOM 0 HG1 THR A 43 -2.706 12.693 2.368 1.00 1.00 H new ATOM 0 HG21 THR A 43 -4.139 10.917 2.569 1.00 1.00 H new ATOM 0 HG22 THR A 43 -3.682 9.381 1.796 1.00 1.00 H new ATOM 0 HG23 THR A 43 -2.802 9.950 3.234 1.00 1.00 H new ATOM 484 N PHE A 44 -1.952 8.448 -0.491 1.00 1.00 N ATOM 485 CA PHE A 44 -2.200 7.823 -1.786 1.00 1.00 C ATOM 486 C PHE A 44 -3.417 6.908 -1.732 1.00 1.00 C ATOM 487 O PHE A 44 -3.674 6.262 -0.717 1.00 1.00 O ATOM 488 CB PHE A 44 -0.983 7.007 -2.227 1.00 1.00 C ATOM 489 CG PHE A 44 0.308 7.771 -2.219 1.00 1.00 C ATOM 490 CD1 PHE A 44 1.032 7.922 -1.047 1.00 1.00 C ATOM 491 CD2 PHE A 44 0.805 8.326 -3.386 1.00 1.00 C ATOM 492 CE1 PHE A 44 2.227 8.615 -1.040 1.00 1.00 C ATOM 493 CE2 PHE A 44 1.998 9.022 -3.384 1.00 1.00 C ATOM 494 CZ PHE A 44 2.710 9.166 -2.210 1.00 1.00 C ATOM 0 H PHE A 44 -2.305 7.920 0.307 1.00 1.00 H new ATOM 0 HA PHE A 44 -2.388 8.621 -2.504 1.00 1.00 H new ATOM 0 HB2 PHE A 44 -0.884 6.142 -1.572 1.00 1.00 H new ATOM 0 HB3 PHE A 44 -1.160 6.627 -3.233 1.00 1.00 H new ATOM 0 HD1 PHE A 44 0.658 7.493 -0.129 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.254 8.213 -4.308 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.783 8.726 -0.121 1.00 1.00 H new ATOM 0 HE2 PHE A 44 2.374 9.453 -4.300 1.00 1.00 H new ATOM 0 HZ PHE A 44 3.644 9.709 -2.207 1.00 1.00 H new ATOM 504 N THR A 45 -4.149 6.838 -2.838 1.00 1.00 N ATOM 505 CA THR A 45 -5.322 5.977 -2.920 1.00 1.00 C ATOM 506 C THR A 45 -4.886 4.534 -3.142 1.00 1.00 C ATOM 507 O THR A 45 -3.806 4.284 -3.676 1.00 1.00 O ATOM 508 CB THR A 45 -6.241 6.425 -4.059 1.00 1.00 C ATOM 509 OG1 THR A 45 -5.582 6.314 -5.308 1.00 1.00 O ATOM 510 CG2 THR A 45 -6.721 7.853 -3.920 1.00 1.00 C ATOM 0 H THR A 45 -3.951 7.366 -3.688 1.00 1.00 H new ATOM 0 HA THR A 45 -5.874 6.048 -1.983 1.00 1.00 H new ATOM 0 HB THR A 45 -7.106 5.763 -4.006 1.00 1.00 H new ATOM 0 HG1 THR A 45 -6.206 6.540 -6.029 1.00 1.00 H new ATOM 0 HG21 THR A 45 -7.367 8.103 -4.761 1.00 1.00 H new ATOM 0 HG22 THR A 45 -7.278 7.961 -2.990 1.00 1.00 H new ATOM 0 HG23 THR A 45 -5.863 8.526 -3.909 1.00 1.00 H new ATOM 518 N MET A 46 -5.720 3.585 -2.731 1.00 1.00 N ATOM 519 CA MET A 46 -5.396 2.169 -2.890 1.00 1.00 C ATOM 520 C MET A 46 -4.916 1.868 -4.309 1.00 1.00 C ATOM 521 O MET A 46 -4.131 0.945 -4.525 1.00 1.00 O ATOM 522 CB MET A 46 -6.605 1.300 -2.545 1.00 1.00 C ATOM 523 CG MET A 46 -6.336 0.333 -1.405 1.00 1.00 C ATOM 524 SD MET A 46 -7.026 -1.305 -1.700 1.00 1.00 S ATOM 525 CE MET A 46 -5.525 -2.253 -1.933 1.00 1.00 C ATOM 0 H MET A 46 -6.620 3.767 -2.288 1.00 1.00 H new ATOM 0 HA MET A 46 -4.585 1.933 -2.201 1.00 1.00 H new ATOM 0 HB2 MET A 46 -7.443 1.943 -2.278 1.00 1.00 H new ATOM 0 HB3 MET A 46 -6.904 0.737 -3.429 1.00 1.00 H new ATOM 0 HG2 MET A 46 -5.260 0.247 -1.254 1.00 1.00 H new ATOM 0 HG3 MET A 46 -6.756 0.738 -0.484 1.00 1.00 H new ATOM 0 HE1 MET A 46 -5.583 -2.801 -2.874 1.00 1.00 H new ATOM 0 HE2 MET A 46 -4.669 -1.579 -1.958 1.00 1.00 H new ATOM 0 HE3 MET A 46 -5.408 -2.958 -1.110 1.00 1.00 H new ATOM 535 N LYS A 47 -5.384 2.659 -5.269 1.00 1.00 N ATOM 536 CA LYS A 47 -4.990 2.480 -6.660 1.00 1.00 C ATOM 537 C LYS A 47 -3.537 2.896 -6.858 1.00 1.00 C ATOM 538 O LYS A 47 -2.760 2.192 -7.503 1.00 1.00 O ATOM 539 CB LYS A 47 -5.898 3.299 -7.580 1.00 1.00 C ATOM 540 CG LYS A 47 -6.190 2.625 -8.912 1.00 1.00 C ATOM 541 CD LYS A 47 -6.939 1.313 -8.728 1.00 1.00 C ATOM 542 CE LYS A 47 -8.239 1.511 -7.964 1.00 1.00 C ATOM 543 NZ LYS A 47 -9.015 0.245 -7.853 1.00 1.00 N ATOM 0 H LYS A 47 -6.035 3.428 -5.109 1.00 1.00 H new ATOM 0 HA LYS A 47 -5.091 1.425 -6.914 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -6.840 3.493 -7.067 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -5.432 4.267 -7.767 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -6.779 3.296 -9.537 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -5.254 2.439 -9.438 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -7.153 0.876 -9.703 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -6.307 0.605 -8.193 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -8.020 1.891 -6.966 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -8.844 2.265 -8.467 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -9.894 0.422 -7.326 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -9.246 -0.105 -8.805 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -8.447 -0.467 -7.351 1.00 1.00 H new ATOM 557 N GLU A 48 -3.178 4.043 -6.292 1.00 1.00 N ATOM 558 CA GLU A 48 -1.817 4.556 -6.398 1.00 1.00 C ATOM 559 C GLU A 48 -0.885 3.815 -5.443 1.00 1.00 C ATOM 560 O GLU A 48 0.242 3.475 -5.801 1.00 1.00 O ATOM 561 CB GLU A 48 -1.783 6.056 -6.098 1.00 1.00 C ATOM 562 CG GLU A 48 -2.962 6.823 -6.679 1.00 1.00 C ATOM 563 CD GLU A 48 -2.531 8.023 -7.499 1.00 1.00 C ATOM 564 OE1 GLU A 48 -1.700 7.849 -8.415 1.00 1.00 O ATOM 565 OE2 GLU A 48 -3.026 9.137 -7.226 1.00 1.00 O ATOM 0 H GLU A 48 -3.811 4.636 -5.755 1.00 1.00 H new ATOM 0 HA GLU A 48 -1.474 4.393 -7.420 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -1.763 6.201 -5.018 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -0.858 6.476 -6.493 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -3.553 6.154 -7.304 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -3.609 7.156 -5.868 1.00 1.00 H new ATOM 572 N VAL A 49 -1.365 3.563 -4.227 1.00 1.00 N ATOM 573 CA VAL A 49 -0.574 2.858 -3.222 1.00 1.00 C ATOM 574 C VAL A 49 -0.043 1.541 -3.774 1.00 1.00 C ATOM 575 O VAL A 49 1.163 1.291 -3.769 1.00 1.00 O ATOM 576 CB VAL A 49 -1.397 2.566 -1.951 1.00 1.00 C ATOM 577 CG1 VAL A 49 -0.488 2.090 -0.828 1.00 1.00 C ATOM 578 CG2 VAL A 49 -2.192 3.792 -1.522 1.00 1.00 C ATOM 0 H VAL A 49 -2.297 3.836 -3.914 1.00 1.00 H new ATOM 0 HA VAL A 49 0.259 3.512 -2.963 1.00 1.00 H new ATOM 0 HB VAL A 49 -2.107 1.771 -2.179 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -1.084 1.888 0.062 1.00 1.00 H new ATOM 0 HG12 VAL A 49 0.024 1.178 -1.136 1.00 1.00 H new ATOM 0 HG13 VAL A 49 0.248 2.862 -0.604 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -2.763 3.559 -0.624 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -1.508 4.615 -1.314 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -2.874 4.081 -2.321 1.00 1.00 H new ATOM 588 N LEU A 50 -0.955 0.703 -4.251 1.00 1.00 N ATOM 589 CA LEU A 50 -0.592 -0.592 -4.811 1.00 1.00 C ATOM 590 C LEU A 50 0.166 -0.427 -6.126 1.00 1.00 C ATOM 591 O LEU A 50 0.925 -1.309 -6.528 1.00 1.00 O ATOM 592 CB LEU A 50 -1.849 -1.434 -5.032 1.00 1.00 C ATOM 593 CG LEU A 50 -1.596 -2.868 -5.495 1.00 1.00 C ATOM 594 CD1 LEU A 50 -1.405 -3.791 -4.304 1.00 1.00 C ATOM 595 CD2 LEU A 50 -2.744 -3.354 -6.361 1.00 1.00 C ATOM 0 H LEU A 50 -1.956 0.899 -4.261 1.00 1.00 H new ATOM 0 HA LEU A 50 0.063 -1.100 -4.103 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -2.416 -1.464 -4.101 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.476 -0.935 -5.771 1.00 1.00 H new ATOM 0 HG LEU A 50 -0.682 -2.880 -6.088 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -1.226 -4.807 -4.656 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -0.551 -3.455 -3.717 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -2.301 -3.774 -3.683 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -2.549 -4.377 -6.683 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -3.670 -3.324 -5.787 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.838 -2.710 -7.235 1.00 1.00 H new ATOM 607 N TYR A 51 -0.041 0.706 -6.792 1.00 1.00 N ATOM 608 CA TYR A 51 0.628 0.977 -8.059 1.00 1.00 C ATOM 609 C TYR A 51 2.138 1.082 -7.867 1.00 1.00 C ATOM 610 O TYR A 51 2.905 0.354 -8.500 1.00 1.00 O ATOM 611 CB TYR A 51 0.085 2.265 -8.686 1.00 1.00 C ATOM 612 CG TYR A 51 0.728 2.613 -10.010 1.00 1.00 C ATOM 613 CD1 TYR A 51 2.013 3.139 -10.063 1.00 1.00 C ATOM 614 CD2 TYR A 51 0.050 2.416 -11.206 1.00 1.00 C ATOM 615 CE1 TYR A 51 2.604 3.458 -11.270 1.00 1.00 C ATOM 616 CE2 TYR A 51 0.634 2.733 -12.418 1.00 1.00 C ATOM 617 CZ TYR A 51 1.910 3.254 -12.444 1.00 1.00 C ATOM 618 OH TYR A 51 2.495 3.571 -13.649 1.00 1.00 O ATOM 0 H TYR A 51 -0.665 1.448 -6.476 1.00 1.00 H new ATOM 0 HA TYR A 51 0.425 0.144 -8.733 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -0.991 2.163 -8.830 1.00 1.00 H new ATOM 0 HB3 TYR A 51 0.237 3.090 -7.990 1.00 1.00 H new ATOM 0 HD1 TYR A 51 2.559 3.301 -9.145 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -0.950 2.008 -11.189 1.00 1.00 H new ATOM 0 HE1 TYR A 51 3.604 3.865 -11.294 1.00 1.00 H new ATOM 0 HE2 TYR A 51 0.094 2.573 -13.339 1.00 1.00 H new ATOM 0 HH TYR A 51 1.874 3.366 -14.378 1.00 1.00 H new ATOM 628 N HIS A 52 2.565 1.984 -6.986 1.00 1.00 N ATOM 629 CA HIS A 52 3.987 2.163 -6.722 1.00 1.00 C ATOM 630 C HIS A 52 4.585 0.879 -6.162 1.00 1.00 C ATOM 631 O HIS A 52 5.707 0.509 -6.501 1.00 1.00 O ATOM 632 CB HIS A 52 4.230 3.323 -5.750 1.00 1.00 C ATOM 633 CG HIS A 52 3.306 4.486 -5.946 1.00 1.00 C ATOM 634 ND1 HIS A 52 3.290 5.248 -7.096 1.00 1.00 N ATOM 635 CD2 HIS A 52 2.368 5.022 -5.129 1.00 1.00 C ATOM 636 CE1 HIS A 52 2.384 6.202 -6.976 1.00 1.00 C ATOM 637 NE2 HIS A 52 1.810 6.086 -5.793 1.00 1.00 N ATOM 0 H HIS A 52 1.952 2.596 -6.448 1.00 1.00 H new ATOM 0 HA HIS A 52 4.476 2.404 -7.666 1.00 1.00 H new ATOM 0 HB2 HIS A 52 4.124 2.956 -4.729 1.00 1.00 H new ATOM 0 HB3 HIS A 52 5.259 3.667 -5.860 1.00 1.00 H new ATOM 0 HD2 HIS A 52 2.108 4.677 -4.139 1.00 1.00 H new ATOM 0 HE1 HIS A 52 2.152 6.950 -7.720 1.00 1.00 H new ATOM 0 HE2 HIS A 52 1.071 6.689 -5.431 1.00 1.00 H new ATOM 646 N LEU A 53 3.825 0.197 -5.306 1.00 1.00 N ATOM 647 CA LEU A 53 4.269 -1.042 -4.708 1.00 1.00 C ATOM 648 C LEU A 53 4.721 -2.031 -5.776 1.00 1.00 C ATOM 649 O LEU A 53 5.808 -2.603 -5.684 1.00 1.00 O ATOM 650 CB LEU A 53 3.141 -1.635 -3.872 1.00 1.00 C ATOM 651 CG LEU A 53 3.601 -2.236 -2.557 1.00 1.00 C ATOM 652 CD1 LEU A 53 4.114 -1.155 -1.619 1.00 1.00 C ATOM 653 CD2 LEU A 53 2.482 -3.036 -1.907 1.00 1.00 C ATOM 0 H LEU A 53 2.893 0.492 -5.015 1.00 1.00 H new ATOM 0 HA LEU A 53 5.124 -0.836 -4.064 1.00 1.00 H new ATOM 0 HB2 LEU A 53 2.406 -0.857 -3.667 1.00 1.00 H new ATOM 0 HB3 LEU A 53 2.636 -2.405 -4.455 1.00 1.00 H new ATOM 0 HG LEU A 53 4.425 -2.919 -2.765 1.00 1.00 H new ATOM 0 HD11 LEU A 53 4.438 -1.609 -0.683 1.00 1.00 H new ATOM 0 HD12 LEU A 53 4.955 -0.640 -2.083 1.00 1.00 H new ATOM 0 HD13 LEU A 53 3.317 -0.439 -1.418 1.00 1.00 H new ATOM 0 HD21 LEU A 53 2.835 -3.457 -0.966 1.00 1.00 H new ATOM 0 HD22 LEU A 53 1.631 -2.382 -1.715 1.00 1.00 H new ATOM 0 HD23 LEU A 53 2.177 -3.843 -2.574 1.00 1.00 H new ATOM 665 N GLY A 54 3.891 -2.219 -6.800 1.00 1.00 N ATOM 666 CA GLY A 54 4.245 -3.127 -7.875 1.00 1.00 C ATOM 667 C GLY A 54 5.586 -2.771 -8.478 1.00 1.00 C ATOM 668 O GLY A 54 6.399 -3.647 -8.775 1.00 1.00 O ATOM 0 H GLY A 54 2.985 -1.761 -6.903 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.274 -4.149 -7.496 1.00 1.00 H new ATOM 0 HA3 GLY A 54 3.477 -3.096 -8.648 1.00 1.00 H new ATOM 672 N GLN A 55 5.823 -1.472 -8.639 1.00 1.00 N ATOM 673 CA GLN A 55 7.081 -0.986 -9.187 1.00 1.00 C ATOM 674 C GLN A 55 8.174 -1.043 -8.123 1.00 1.00 C ATOM 675 O GLN A 55 9.353 -1.215 -8.434 1.00 1.00 O ATOM 676 CB GLN A 55 6.922 0.447 -9.699 1.00 1.00 C ATOM 677 CG GLN A 55 5.728 0.635 -10.620 1.00 1.00 C ATOM 678 CD GLN A 55 5.873 1.845 -11.522 1.00 1.00 C ATOM 679 OE1 GLN A 55 5.887 1.723 -12.747 1.00 1.00 O ATOM 680 NE2 GLN A 55 5.981 3.023 -10.919 1.00 1.00 N ATOM 0 H GLN A 55 5.158 -0.738 -8.397 1.00 1.00 H new ATOM 0 HA GLN A 55 7.366 -1.625 -10.023 1.00 1.00 H new ATOM 0 HB2 GLN A 55 6.822 1.119 -8.847 1.00 1.00 H new ATOM 0 HB3 GLN A 55 7.829 0.737 -10.230 1.00 1.00 H new ATOM 0 HG2 GLN A 55 5.602 -0.258 -11.233 1.00 1.00 H new ATOM 0 HG3 GLN A 55 4.824 0.740 -10.020 1.00 1.00 H new ATOM 0 HE21 GLN A 55 5.965 3.078 -9.901 1.00 1.00 H new ATOM 0 HE22 GLN A 55 6.080 3.873 -11.474 1.00 1.00 H new ATOM 689 N TYR A 56 7.766 -0.903 -6.864 1.00 1.00 N ATOM 690 CA TYR A 56 8.696 -0.944 -5.742 1.00 1.00 C ATOM 691 C TYR A 56 9.387 -2.302 -5.672 1.00 1.00 C ATOM 692 O TYR A 56 10.598 -2.385 -5.472 1.00 1.00 O ATOM 693 CB TYR A 56 7.951 -0.657 -4.431 1.00 1.00 C ATOM 694 CG TYR A 56 8.773 -0.917 -3.188 1.00 1.00 C ATOM 695 CD1 TYR A 56 9.688 0.020 -2.727 1.00 1.00 C ATOM 696 CD2 TYR A 56 8.642 -2.107 -2.484 1.00 1.00 C ATOM 697 CE1 TYR A 56 10.451 -0.220 -1.601 1.00 1.00 C ATOM 698 CE2 TYR A 56 9.397 -2.354 -1.353 1.00 1.00 C ATOM 699 CZ TYR A 56 10.301 -1.409 -0.917 1.00 1.00 C ATOM 700 OH TYR A 56 11.059 -1.652 0.206 1.00 1.00 O ATOM 0 H TYR A 56 6.792 -0.760 -6.596 1.00 1.00 H new ATOM 0 HA TYR A 56 9.457 -0.178 -5.890 1.00 1.00 H new ATOM 0 HB2 TYR A 56 7.627 0.384 -4.429 1.00 1.00 H new ATOM 0 HB3 TYR A 56 7.051 -1.271 -4.394 1.00 1.00 H new ATOM 0 HD1 TYR A 56 9.805 0.953 -3.258 1.00 1.00 H new ATOM 0 HD2 TYR A 56 7.939 -2.852 -2.826 1.00 1.00 H new ATOM 0 HE1 TYR A 56 11.161 0.518 -1.258 1.00 1.00 H new ATOM 0 HE2 TYR A 56 9.279 -3.282 -0.814 1.00 1.00 H new ATOM 0 HH TYR A 56 10.832 -2.533 0.570 1.00 1.00 H new ATOM 710 N ILE A 57 8.606 -3.364 -5.840 1.00 1.00 N ATOM 711 CA ILE A 57 9.140 -4.719 -5.800 1.00 1.00 C ATOM 712 C ILE A 57 10.117 -4.953 -6.947 1.00 1.00 C ATOM 713 O ILE A 57 11.279 -5.293 -6.725 1.00 1.00 O ATOM 714 CB ILE A 57 8.011 -5.768 -5.868 1.00 1.00 C ATOM 715 CG1 ILE A 57 7.022 -5.551 -4.720 1.00 1.00 C ATOM 716 CG2 ILE A 57 8.582 -7.181 -5.826 1.00 1.00 C ATOM 717 CD1 ILE A 57 5.899 -6.564 -4.690 1.00 1.00 C ATOM 0 H ILE A 57 7.601 -3.312 -6.005 1.00 1.00 H new ATOM 0 HA ILE A 57 9.667 -4.830 -4.852 1.00 1.00 H new ATOM 0 HB ILE A 57 7.482 -5.647 -6.813 1.00 1.00 H new ATOM 0 HG12 ILE A 57 7.562 -5.591 -3.774 1.00 1.00 H new ATOM 0 HG13 ILE A 57 6.596 -4.551 -4.802 1.00 1.00 H new ATOM 0 HG21 ILE A 57 7.768 -7.904 -5.875 1.00 1.00 H new ATOM 0 HG22 ILE A 57 9.250 -7.329 -6.674 1.00 1.00 H new ATOM 0 HG23 ILE A 57 9.137 -7.322 -4.898 1.00 1.00 H new ATOM 0 HD11 ILE A 57 5.237 -6.349 -3.851 1.00 1.00 H new ATOM 0 HD12 ILE A 57 5.335 -6.509 -5.621 1.00 1.00 H new ATOM 0 HD13 ILE A 57 6.315 -7.565 -4.576 1.00 1.00 H new ATOM 729 N MET A 58 9.642 -4.765 -8.175 1.00 1.00 N ATOM 730 CA MET A 58 10.482 -4.952 -9.352 1.00 1.00 C ATOM 731 C MET A 58 11.696 -4.030 -9.296 1.00 1.00 C ATOM 732 O MET A 58 12.772 -4.372 -9.787 1.00 1.00 O ATOM 733 CB MET A 58 9.679 -4.697 -10.629 1.00 1.00 C ATOM 734 CG MET A 58 9.291 -3.241 -10.829 1.00 1.00 C ATOM 735 SD MET A 58 8.095 -3.017 -12.160 1.00 1.00 S ATOM 736 CE MET A 58 8.786 -4.085 -13.421 1.00 1.00 C ATOM 0 H MET A 58 8.683 -4.484 -8.380 1.00 1.00 H new ATOM 0 HA MET A 58 10.832 -5.984 -9.363 1.00 1.00 H new ATOM 0 HB2 MET A 58 10.264 -5.029 -11.487 1.00 1.00 H new ATOM 0 HB3 MET A 58 8.774 -5.305 -10.606 1.00 1.00 H new ATOM 0 HG2 MET A 58 8.874 -2.850 -9.901 1.00 1.00 H new ATOM 0 HG3 MET A 58 10.185 -2.657 -11.047 1.00 1.00 H new ATOM 0 HE1 MET A 58 8.338 -3.846 -14.386 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.864 -3.934 -13.475 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.577 -5.125 -13.171 1.00 1.00 H new ATOM 746 N ALA A 59 11.516 -2.862 -8.686 1.00 1.00 N ATOM 747 CA ALA A 59 12.598 -1.894 -8.555 1.00 1.00 C ATOM 748 C ALA A 59 13.590 -2.342 -7.488 1.00 1.00 C ATOM 749 O ALA A 59 14.774 -2.530 -7.766 1.00 1.00 O ATOM 750 CB ALA A 59 12.041 -0.519 -8.219 1.00 1.00 C ATOM 0 H ALA A 59 10.631 -2.564 -8.275 1.00 1.00 H new ATOM 0 HA ALA A 59 13.123 -1.832 -9.508 1.00 1.00 H new ATOM 0 HB1 ALA A 59 12.861 0.193 -8.124 1.00 1.00 H new ATOM 0 HB2 ALA A 59 11.369 -0.195 -9.013 1.00 1.00 H new ATOM 0 HB3 ALA A 59 11.493 -0.568 -7.278 1.00 1.00 H new ATOM 756 N LYS A 60 13.094 -2.524 -6.268 1.00 1.00 N ATOM 757 CA LYS A 60 13.932 -2.964 -5.160 1.00 1.00 C ATOM 758 C LYS A 60 14.522 -4.342 -5.448 1.00 1.00 C ATOM 759 O LYS A 60 15.580 -4.697 -4.929 1.00 1.00 O ATOM 760 CB LYS A 60 13.118 -3.005 -3.866 1.00 1.00 C ATOM 761 CG LYS A 60 13.058 -1.673 -3.136 1.00 1.00 C ATOM 762 CD LYS A 60 12.577 -0.554 -4.046 1.00 1.00 C ATOM 763 CE LYS A 60 12.696 0.804 -3.372 1.00 1.00 C ATOM 764 NZ LYS A 60 13.834 1.596 -3.914 1.00 1.00 N ATOM 0 H LYS A 60 12.116 -2.373 -6.023 1.00 1.00 H new ATOM 0 HA LYS A 60 14.749 -2.252 -5.043 1.00 1.00 H new ATOM 0 HB2 LYS A 60 12.103 -3.328 -4.096 1.00 1.00 H new ATOM 0 HB3 LYS A 60 13.548 -3.754 -3.201 1.00 1.00 H new ATOM 0 HG2 LYS A 60 12.390 -1.758 -2.279 1.00 1.00 H new ATOM 0 HG3 LYS A 60 14.046 -1.426 -2.747 1.00 1.00 H new ATOM 0 HD2 LYS A 60 13.160 -0.557 -4.967 1.00 1.00 H new ATOM 0 HD3 LYS A 60 11.539 -0.732 -4.326 1.00 1.00 H new ATOM 0 HE2 LYS A 60 11.769 1.360 -3.510 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.828 0.666 -2.299 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 14.085 2.348 -3.241 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 14.654 0.972 -4.058 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 13.559 2.022 -4.822 1.00 1.00 H new ATOM 778 N GLN A 61 13.827 -5.115 -6.281 1.00 1.00 N ATOM 779 CA GLN A 61 14.274 -6.455 -6.647 1.00 1.00 C ATOM 780 C GLN A 61 14.164 -7.415 -5.466 1.00 1.00 C ATOM 781 O GLN A 61 15.172 -7.904 -4.954 1.00 1.00 O ATOM 782 CB GLN A 61 15.715 -6.418 -7.163 1.00 1.00 C ATOM 783 CG GLN A 61 16.149 -7.705 -7.846 1.00 1.00 C ATOM 784 CD GLN A 61 16.444 -7.513 -9.322 1.00 1.00 C ATOM 785 OE1 GLN A 61 17.414 -8.057 -9.849 1.00 1.00 O ATOM 786 NE2 GLN A 61 15.605 -6.736 -9.996 1.00 1.00 N ATOM 0 H GLN A 61 12.949 -4.833 -6.716 1.00 1.00 H new ATOM 0 HA GLN A 61 13.623 -6.817 -7.443 1.00 1.00 H new ATOM 0 HB2 GLN A 61 15.820 -5.591 -7.865 1.00 1.00 H new ATOM 0 HB3 GLN A 61 16.386 -6.215 -6.328 1.00 1.00 H new ATOM 0 HG2 GLN A 61 17.038 -8.093 -7.349 1.00 1.00 H new ATOM 0 HG3 GLN A 61 15.366 -8.455 -7.730 1.00 1.00 H new ATOM 0 HE21 GLN A 61 14.813 -6.305 -9.518 1.00 1.00 H new ATOM 0 HE22 GLN A 61 15.752 -6.570 -10.992 1.00 1.00 H new ATOM 795 N LEU A 62 12.934 -7.685 -5.041 1.00 1.00 N ATOM 796 CA LEU A 62 12.692 -8.593 -3.925 1.00 1.00 C ATOM 797 C LEU A 62 12.006 -9.876 -4.394 1.00 1.00 C ATOM 798 O LEU A 62 11.551 -10.678 -3.579 1.00 1.00 O ATOM 799 CB LEU A 62 11.834 -7.910 -2.859 1.00 1.00 C ATOM 800 CG LEU A 62 12.237 -6.474 -2.519 1.00 1.00 C ATOM 801 CD1 LEU A 62 11.386 -5.942 -1.378 1.00 1.00 C ATOM 802 CD2 LEU A 62 13.714 -6.403 -2.161 1.00 1.00 C ATOM 0 H LEU A 62 12.089 -7.288 -5.452 1.00 1.00 H new ATOM 0 HA LEU A 62 13.659 -8.856 -3.496 1.00 1.00 H new ATOM 0 HB2 LEU A 62 10.797 -7.909 -3.196 1.00 1.00 H new ATOM 0 HB3 LEU A 62 11.873 -8.507 -1.948 1.00 1.00 H new ATOM 0 HG LEU A 62 12.068 -5.851 -3.397 1.00 1.00 H new ATOM 0 HD11 LEU A 62 11.685 -4.919 -1.148 1.00 1.00 H new ATOM 0 HD12 LEU A 62 10.336 -5.956 -1.670 1.00 1.00 H new ATOM 0 HD13 LEU A 62 11.526 -6.568 -0.497 1.00 1.00 H new ATOM 0 HD21 LEU A 62 13.981 -5.374 -1.922 1.00 1.00 H new ATOM 0 HD22 LEU A 62 13.910 -7.038 -1.297 1.00 1.00 H new ATOM 0 HD23 LEU A 62 14.310 -6.746 -3.007 1.00 1.00 H new ATOM 814 N TYR A 63 11.934 -10.066 -5.710 1.00 1.00 N ATOM 815 CA TYR A 63 11.303 -11.253 -6.275 1.00 1.00 C ATOM 816 C TYR A 63 12.327 -12.364 -6.485 1.00 1.00 C ATOM 817 O TYR A 63 13.488 -12.101 -6.798 1.00 1.00 O ATOM 818 CB TYR A 63 10.619 -10.909 -7.599 1.00 1.00 C ATOM 819 CG TYR A 63 11.543 -10.266 -8.608 1.00 1.00 C ATOM 820 CD1 TYR A 63 12.537 -11.004 -9.239 1.00 1.00 C ATOM 821 CD2 TYR A 63 11.423 -8.919 -8.928 1.00 1.00 C ATOM 822 CE1 TYR A 63 13.385 -10.418 -10.159 1.00 1.00 C ATOM 823 CE2 TYR A 63 12.267 -8.326 -9.848 1.00 1.00 C ATOM 824 CZ TYR A 63 13.246 -9.079 -10.460 1.00 1.00 C ATOM 825 OH TYR A 63 14.089 -8.492 -11.377 1.00 1.00 O ATOM 0 H TYR A 63 12.304 -9.414 -6.402 1.00 1.00 H new ATOM 0 HA TYR A 63 10.551 -11.608 -5.570 1.00 1.00 H new ATOM 0 HB2 TYR A 63 10.201 -11.819 -8.030 1.00 1.00 H new ATOM 0 HB3 TYR A 63 9.784 -10.236 -7.403 1.00 1.00 H new ATOM 0 HD1 TYR A 63 12.649 -12.053 -9.006 1.00 1.00 H new ATOM 0 HD2 TYR A 63 10.658 -8.326 -8.450 1.00 1.00 H new ATOM 0 HE1 TYR A 63 14.153 -11.005 -10.640 1.00 1.00 H new ATOM 0 HE2 TYR A 63 12.160 -7.278 -10.086 1.00 1.00 H new ATOM 0 HH TYR A 63 13.720 -7.628 -11.655 1.00 1.00 H new ATOM 835 N ASP A 64 11.889 -13.606 -6.308 1.00 1.00 N ATOM 836 CA ASP A 64 12.767 -14.758 -6.474 1.00 1.00 C ATOM 837 C ASP A 64 13.142 -14.953 -7.941 1.00 1.00 C ATOM 838 O ASP A 64 12.336 -14.701 -8.837 1.00 1.00 O ATOM 839 CB ASP A 64 12.092 -16.020 -5.931 1.00 1.00 C ATOM 840 CG ASP A 64 12.969 -17.251 -6.062 1.00 1.00 C ATOM 841 OD1 ASP A 64 13.195 -17.700 -7.205 1.00 1.00 O ATOM 842 OD2 ASP A 64 13.429 -17.766 -5.021 1.00 1.00 O ATOM 0 H ASP A 64 10.931 -13.840 -6.049 1.00 1.00 H new ATOM 0 HA ASP A 64 13.681 -14.572 -5.910 1.00 1.00 H new ATOM 0 HB2 ASP A 64 11.838 -15.869 -4.882 1.00 1.00 H new ATOM 0 HB3 ASP A 64 11.156 -16.186 -6.465 1.00 1.00 H new ATOM 847 N GLU A 65 14.371 -15.403 -8.177 1.00 1.00 N ATOM 848 CA GLU A 65 14.856 -15.631 -9.533 1.00 1.00 C ATOM 849 C GLU A 65 14.037 -16.710 -10.234 1.00 1.00 C ATOM 850 O GLU A 65 13.439 -16.466 -11.282 1.00 1.00 O ATOM 851 CB GLU A 65 16.333 -16.029 -9.510 1.00 1.00 C ATOM 852 CG GLU A 65 17.141 -15.431 -10.649 1.00 1.00 C ATOM 853 CD GLU A 65 17.362 -16.412 -11.784 1.00 1.00 C ATOM 854 OE1 GLU A 65 17.608 -17.603 -11.500 1.00 1.00 O ATOM 855 OE2 GLU A 65 17.291 -15.989 -12.957 1.00 1.00 O ATOM 0 H GLU A 65 15.049 -15.617 -7.446 1.00 1.00 H new ATOM 0 HA GLU A 65 14.746 -14.700 -10.090 1.00 1.00 H new ATOM 0 HB2 GLU A 65 16.770 -15.716 -8.562 1.00 1.00 H new ATOM 0 HB3 GLU A 65 16.409 -17.116 -9.553 1.00 1.00 H new ATOM 0 HG2 GLU A 65 16.627 -14.549 -11.031 1.00 1.00 H new ATOM 0 HG3 GLU A 65 18.106 -15.097 -10.269 1.00 1.00 H new ATOM 862 N LYS A 66 14.013 -17.905 -9.649 1.00 1.00 N ATOM 863 CA LYS A 66 13.265 -19.021 -10.220 1.00 1.00 C ATOM 864 C LYS A 66 11.812 -18.628 -10.471 1.00 1.00 C ATOM 865 O LYS A 66 11.307 -18.757 -11.586 1.00 1.00 O ATOM 866 CB LYS A 66 13.330 -20.235 -9.292 1.00 1.00 C ATOM 867 CG LYS A 66 14.680 -20.932 -9.298 1.00 1.00 C ATOM 868 CD LYS A 66 14.809 -21.908 -8.139 1.00 1.00 C ATOM 869 CE LYS A 66 13.960 -23.150 -8.357 1.00 1.00 C ATOM 870 NZ LYS A 66 13.187 -23.516 -7.137 1.00 1.00 N ATOM 0 H LYS A 66 14.502 -18.125 -8.781 1.00 1.00 H new ATOM 0 HA LYS A 66 13.720 -19.283 -11.175 1.00 1.00 H new ATOM 0 HB2 LYS A 66 13.099 -19.918 -8.275 1.00 1.00 H new ATOM 0 HB3 LYS A 66 12.560 -20.949 -9.586 1.00 1.00 H new ATOM 0 HG2 LYS A 66 14.811 -21.465 -10.240 1.00 1.00 H new ATOM 0 HG3 LYS A 66 15.475 -20.188 -9.239 1.00 1.00 H new ATOM 0 HD2 LYS A 66 15.853 -22.197 -8.020 1.00 1.00 H new ATOM 0 HD3 LYS A 66 14.506 -21.417 -7.214 1.00 1.00 H new ATOM 0 HE2 LYS A 66 13.272 -22.979 -9.185 1.00 1.00 H new ATOM 0 HE3 LYS A 66 14.602 -23.983 -8.643 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 12.621 -24.368 -7.327 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 13.844 -23.705 -6.353 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 12.555 -22.732 -6.878 1.00 1.00 H new ATOM 884 N GLN A 67 11.147 -18.137 -9.429 1.00 1.00 N ATOM 885 CA GLN A 67 9.756 -17.713 -9.545 1.00 1.00 C ATOM 886 C GLN A 67 9.640 -16.204 -9.357 1.00 1.00 C ATOM 887 O GLN A 67 10.060 -15.660 -8.336 1.00 1.00 O ATOM 888 CB GLN A 67 8.877 -18.439 -8.521 1.00 1.00 C ATOM 889 CG GLN A 67 9.532 -18.621 -7.160 1.00 1.00 C ATOM 890 CD GLN A 67 10.529 -19.762 -7.133 1.00 1.00 C ATOM 891 OE1 GLN A 67 11.663 -19.598 -6.683 1.00 1.00 O ATOM 892 NE2 GLN A 67 10.110 -20.929 -7.610 1.00 1.00 N ATOM 0 H GLN A 67 11.548 -18.023 -8.498 1.00 1.00 H new ATOM 0 HA GLN A 67 9.407 -17.971 -10.545 1.00 1.00 H new ATOM 0 HB2 GLN A 67 7.949 -17.881 -8.394 1.00 1.00 H new ATOM 0 HB3 GLN A 67 8.609 -19.418 -8.917 1.00 1.00 H new ATOM 0 HG2 GLN A 67 10.037 -17.697 -6.879 1.00 1.00 H new ATOM 0 HG3 GLN A 67 8.760 -18.802 -6.412 1.00 1.00 H new ATOM 0 HE21 GLN A 67 9.161 -21.020 -7.974 1.00 1.00 H new ATOM 0 HE22 GLN A 67 10.737 -21.734 -7.613 1.00 1.00 H new ATOM 901 N GLN A 68 9.072 -15.533 -10.353 1.00 1.00 N ATOM 902 CA GLN A 68 8.904 -14.085 -10.303 1.00 1.00 C ATOM 903 C GLN A 68 7.651 -13.697 -9.523 1.00 1.00 C ATOM 904 O GLN A 68 7.488 -12.540 -9.133 1.00 1.00 O ATOM 905 CB GLN A 68 8.833 -13.512 -11.719 1.00 1.00 C ATOM 906 CG GLN A 68 10.195 -13.247 -12.338 1.00 1.00 C ATOM 907 CD GLN A 68 10.767 -14.468 -13.030 1.00 1.00 C ATOM 908 OE1 GLN A 68 10.102 -15.099 -13.852 1.00 1.00 O ATOM 909 NE2 GLN A 68 12.008 -14.808 -12.700 1.00 1.00 N ATOM 0 H GLN A 68 8.720 -15.969 -11.205 1.00 1.00 H new ATOM 0 HA GLN A 68 9.768 -13.667 -9.787 1.00 1.00 H new ATOM 0 HB2 GLN A 68 8.283 -14.205 -12.355 1.00 1.00 H new ATOM 0 HB3 GLN A 68 8.266 -12.581 -11.697 1.00 1.00 H new ATOM 0 HG2 GLN A 68 10.111 -12.432 -13.057 1.00 1.00 H new ATOM 0 HG3 GLN A 68 10.885 -12.917 -11.562 1.00 1.00 H new ATOM 0 HE21 GLN A 68 12.523 -14.256 -12.014 1.00 1.00 H new ATOM 0 HE22 GLN A 68 12.446 -15.621 -13.133 1.00 1.00 H new ATOM 918 N HIS A 69 6.765 -14.664 -9.299 1.00 1.00 N ATOM 919 CA HIS A 69 5.530 -14.409 -8.568 1.00 1.00 C ATOM 920 C HIS A 69 5.724 -14.598 -7.062 1.00 1.00 C ATOM 921 O HIS A 69 4.759 -14.586 -6.298 1.00 1.00 O ATOM 922 CB HIS A 69 4.414 -15.323 -9.084 1.00 1.00 C ATOM 923 CG HIS A 69 4.541 -16.748 -8.636 1.00 1.00 C ATOM 924 ND1 HIS A 69 5.494 -17.612 -9.135 1.00 1.00 N ATOM 925 CD2 HIS A 69 3.828 -17.459 -7.730 1.00 1.00 C ATOM 926 CE1 HIS A 69 5.361 -18.792 -8.556 1.00 1.00 C ATOM 927 NE2 HIS A 69 4.358 -18.725 -7.699 1.00 1.00 N ATOM 0 H HIS A 69 6.880 -15.628 -9.613 1.00 1.00 H new ATOM 0 HA HIS A 69 5.245 -13.371 -8.737 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.453 -14.931 -8.750 1.00 1.00 H new ATOM 0 HB3 HIS A 69 4.408 -15.294 -10.174 1.00 1.00 H new ATOM 0 HD2 HIS A 69 2.998 -17.097 -7.142 1.00 1.00 H new ATOM 0 HE1 HIS A 69 5.969 -19.663 -8.750 1.00 1.00 H new ATOM 0 HE2 HIS A 69 4.030 -19.490 -7.110 1.00 1.00 H new ATOM 936 N ILE A 70 6.976 -14.765 -6.640 1.00 1.00 N ATOM 937 CA ILE A 70 7.288 -14.948 -5.228 1.00 1.00 C ATOM 938 C ILE A 70 8.245 -13.866 -4.740 1.00 1.00 C ATOM 939 O ILE A 70 9.231 -13.548 -5.405 1.00 1.00 O ATOM 940 CB ILE A 70 7.912 -16.335 -4.963 1.00 1.00 C ATOM 941 CG1 ILE A 70 6.974 -17.446 -5.445 1.00 1.00 C ATOM 942 CG2 ILE A 70 8.230 -16.506 -3.484 1.00 1.00 C ATOM 943 CD1 ILE A 70 5.553 -17.306 -4.941 1.00 1.00 C ATOM 0 H ILE A 70 7.788 -14.777 -7.257 1.00 1.00 H new ATOM 0 HA ILE A 70 6.349 -14.875 -4.680 1.00 1.00 H new ATOM 0 HB ILE A 70 8.844 -16.405 -5.523 1.00 1.00 H new ATOM 0 HG12 ILE A 70 6.964 -17.453 -6.535 1.00 1.00 H new ATOM 0 HG13 ILE A 70 7.371 -18.409 -5.123 1.00 1.00 H new ATOM 0 HG21 ILE A 70 8.669 -17.490 -3.318 1.00 1.00 H new ATOM 0 HG22 ILE A 70 8.936 -15.736 -3.172 1.00 1.00 H new ATOM 0 HG23 ILE A 70 7.313 -16.415 -2.902 1.00 1.00 H new ATOM 0 HD11 ILE A 70 4.949 -18.128 -5.324 1.00 1.00 H new ATOM 0 HD12 ILE A 70 5.549 -17.330 -3.851 1.00 1.00 H new ATOM 0 HD13 ILE A 70 5.137 -16.359 -5.285 1.00 1.00 H new ATOM 955 N VAL A 71 7.946 -13.303 -3.575 1.00 1.00 N ATOM 956 CA VAL A 71 8.776 -12.255 -2.995 1.00 1.00 C ATOM 957 C VAL A 71 9.178 -12.606 -1.567 1.00 1.00 C ATOM 958 O VAL A 71 8.372 -12.501 -0.643 1.00 1.00 O ATOM 959 CB VAL A 71 8.049 -10.894 -2.994 1.00 1.00 C ATOM 960 CG1 VAL A 71 9.044 -9.759 -2.801 1.00 1.00 C ATOM 961 CG2 VAL A 71 7.254 -10.704 -4.282 1.00 1.00 C ATOM 0 H VAL A 71 7.133 -13.556 -3.013 1.00 1.00 H new ATOM 0 HA VAL A 71 9.669 -12.178 -3.615 1.00 1.00 H new ATOM 0 HB VAL A 71 7.348 -10.881 -2.160 1.00 1.00 H new ATOM 0 HG11 VAL A 71 8.514 -8.806 -2.803 1.00 1.00 H new ATOM 0 HG12 VAL A 71 9.560 -9.885 -1.849 1.00 1.00 H new ATOM 0 HG13 VAL A 71 9.772 -9.771 -3.613 1.00 1.00 H new ATOM 0 HG21 VAL A 71 6.750 -9.738 -4.259 1.00 1.00 H new ATOM 0 HG22 VAL A 71 7.931 -10.740 -5.136 1.00 1.00 H new ATOM 0 HG23 VAL A 71 6.513 -11.498 -4.373 1.00 1.00 H new ATOM 971 N HIS A 72 10.428 -13.028 -1.391 1.00 1.00 N ATOM 972 CA HIS A 72 10.926 -13.398 -0.071 1.00 1.00 C ATOM 973 C HIS A 72 12.186 -12.614 0.287 1.00 1.00 C ATOM 974 O HIS A 72 13.290 -12.961 -0.134 1.00 1.00 O ATOM 975 CB HIS A 72 11.207 -14.901 -0.011 1.00 1.00 C ATOM 976 CG HIS A 72 12.310 -15.345 -0.921 1.00 1.00 C ATOM 977 ND1 HIS A 72 12.214 -15.306 -2.296 1.00 1.00 N ATOM 978 CD2 HIS A 72 13.541 -15.837 -0.644 1.00 1.00 C ATOM 979 CE1 HIS A 72 13.338 -15.755 -2.826 1.00 1.00 C ATOM 980 NE2 HIS A 72 14.159 -16.083 -1.845 1.00 1.00 N ATOM 0 H HIS A 72 11.111 -13.122 -2.143 1.00 1.00 H new ATOM 0 HA HIS A 72 10.155 -13.150 0.658 1.00 1.00 H new ATOM 0 HB2 HIS A 72 11.462 -15.173 1.013 1.00 1.00 H new ATOM 0 HB3 HIS A 72 10.296 -15.442 -0.268 1.00 1.00 H new ATOM 0 HD2 HIS A 72 13.958 -16.004 0.338 1.00 1.00 H new ATOM 0 HE1 HIS A 72 13.549 -15.839 -3.882 1.00 1.00 H new ATOM 0 HE2 HIS A 72 15.100 -16.458 -1.961 1.00 1.00 H new ATOM 989 N CYS A 73 12.011 -11.559 1.075 1.00 1.00 N ATOM 990 CA CYS A 73 13.128 -10.727 1.506 1.00 1.00 C ATOM 991 C CYS A 73 13.084 -10.520 3.016 1.00 1.00 C ATOM 992 O CYS A 73 12.289 -9.725 3.516 1.00 1.00 O ATOM 993 CB CYS A 73 13.094 -9.376 0.789 1.00 1.00 C ATOM 994 SG CYS A 73 14.725 -8.752 0.322 1.00 1.00 S ATOM 0 H CYS A 73 11.103 -11.259 1.429 1.00 1.00 H new ATOM 0 HA CYS A 73 14.057 -11.236 1.249 1.00 1.00 H new ATOM 0 HB2 CYS A 73 12.481 -9.467 -0.107 1.00 1.00 H new ATOM 0 HB3 CYS A 73 12.608 -8.645 1.435 1.00 1.00 H new ATOM 0 HG CYS A 73 14.932 -7.605 0.899 1.00 1.00 H new ATOM 1000 N SER A 74 13.930 -11.246 3.742 1.00 1.00 N ATOM 1001 CA SER A 74 13.959 -11.135 5.196 1.00 1.00 C ATOM 1002 C SER A 74 14.380 -9.750 5.634 1.00 1.00 C ATOM 1003 O SER A 74 13.714 -9.138 6.471 1.00 1.00 O ATOM 1004 CB SER A 74 14.885 -12.191 5.802 1.00 1.00 C ATOM 1005 OG SER A 74 14.389 -12.649 7.048 1.00 1.00 O ATOM 0 H SER A 74 14.598 -11.911 3.352 1.00 1.00 H new ATOM 0 HA SER A 74 12.947 -11.310 5.561 1.00 1.00 H new ATOM 0 HB2 SER A 74 14.983 -13.031 5.115 1.00 1.00 H new ATOM 0 HB3 SER A 74 15.882 -11.771 5.936 1.00 1.00 H new ATOM 0 HG SER A 74 14.998 -13.324 7.414 1.00 1.00 H new ATOM 1011 N ASN A 75 15.455 -9.228 5.064 1.00 1.00 N ATOM 1012 CA ASN A 75 15.872 -7.891 5.427 1.00 1.00 C ATOM 1013 C ASN A 75 15.463 -6.924 4.334 1.00 1.00 C ATOM 1014 O ASN A 75 16.200 -6.691 3.376 1.00 1.00 O ATOM 1015 CB ASN A 75 17.386 -7.840 5.639 1.00 1.00 C ATOM 1016 CG ASN A 75 17.782 -8.171 7.064 1.00 1.00 C ATOM 1017 OD1 ASN A 75 16.938 -8.232 7.958 1.00 1.00 O ATOM 1018 ND2 ASN A 75 19.074 -8.389 7.284 1.00 1.00 N ATOM 0 H ASN A 75 16.037 -9.696 4.369 1.00 1.00 H new ATOM 0 HA ASN A 75 15.388 -7.608 6.362 1.00 1.00 H new ATOM 0 HB2 ASN A 75 17.869 -8.541 4.958 1.00 1.00 H new ATOM 0 HB3 ASN A 75 17.752 -6.845 5.385 1.00 1.00 H new ATOM 0 HD21 ASN A 75 19.400 -8.617 8.223 1.00 1.00 H new ATOM 0 HD22 ASN A 75 19.740 -8.328 6.514 1.00 1.00 H new ATOM 1025 N ASP A 76 14.279 -6.356 4.500 1.00 1.00 N ATOM 1026 CA ASP A 76 13.751 -5.394 3.540 1.00 1.00 C ATOM 1027 C ASP A 76 12.615 -4.577 4.149 1.00 1.00 C ATOM 1028 O ASP A 76 11.816 -5.101 4.925 1.00 1.00 O ATOM 1029 CB ASP A 76 13.268 -6.111 2.278 1.00 1.00 C ATOM 1030 CG ASP A 76 13.838 -5.498 1.014 1.00 1.00 C ATOM 1031 OD1 ASP A 76 14.974 -5.858 0.640 1.00 1.00 O ATOM 1032 OD2 ASP A 76 13.148 -4.658 0.399 1.00 1.00 O ATOM 0 H ASP A 76 13.663 -6.544 5.291 1.00 1.00 H new ATOM 0 HA ASP A 76 14.556 -4.710 3.272 1.00 1.00 H new ATOM 0 HB2 ASP A 76 13.551 -7.162 2.329 1.00 1.00 H new ATOM 0 HB3 ASP A 76 12.179 -6.076 2.237 1.00 1.00 H new ATOM 1037 N PRO A 77 12.510 -3.284 3.795 1.00 1.00 N ATOM 1038 CA PRO A 77 11.446 -2.427 4.309 1.00 1.00 C ATOM 1039 C PRO A 77 10.072 -3.044 4.070 1.00 1.00 C ATOM 1040 O PRO A 77 9.135 -2.821 4.837 1.00 1.00 O ATOM 1041 CB PRO A 77 11.592 -1.129 3.512 1.00 1.00 C ATOM 1042 CG PRO A 77 12.972 -1.140 2.953 1.00 1.00 C ATOM 1043 CD PRO A 77 13.405 -2.576 2.865 1.00 1.00 C ATOM 0 HA PRO A 77 11.526 -2.277 5.386 1.00 1.00 H new ATOM 0 HB2 PRO A 77 10.850 -1.075 2.716 1.00 1.00 H new ATOM 0 HB3 PRO A 77 11.437 -0.260 4.151 1.00 1.00 H new ATOM 0 HG2 PRO A 77 12.992 -0.671 1.969 1.00 1.00 H new ATOM 0 HG3 PRO A 77 13.650 -0.572 3.591 1.00 1.00 H new ATOM 0 HD2 PRO A 77 13.307 -2.959 1.849 1.00 1.00 H new ATOM 0 HD3 PRO A 77 14.450 -2.694 3.151 1.00 1.00 H new ATOM 1051 N LEU A 78 9.966 -3.831 3.002 1.00 1.00 N ATOM 1052 CA LEU A 78 8.716 -4.496 2.657 1.00 1.00 C ATOM 1053 C LEU A 78 8.403 -5.594 3.667 1.00 1.00 C ATOM 1054 O LEU A 78 7.397 -5.532 4.373 1.00 1.00 O ATOM 1055 CB LEU A 78 8.801 -5.088 1.249 1.00 1.00 C ATOM 1056 CG LEU A 78 7.471 -5.170 0.499 1.00 1.00 C ATOM 1057 CD1 LEU A 78 6.944 -3.777 0.191 1.00 1.00 C ATOM 1058 CD2 LEU A 78 7.631 -5.976 -0.781 1.00 1.00 C ATOM 0 H LEU A 78 10.735 -4.023 2.360 1.00 1.00 H new ATOM 0 HA LEU A 78 7.914 -3.758 2.681 1.00 1.00 H new ATOM 0 HB2 LEU A 78 9.496 -4.488 0.661 1.00 1.00 H new ATOM 0 HB3 LEU A 78 9.224 -6.090 1.318 1.00 1.00 H new ATOM 0 HG LEU A 78 6.747 -5.677 1.137 1.00 1.00 H new ATOM 0 HD11 LEU A 78 5.997 -3.856 -0.343 1.00 1.00 H new ATOM 0 HD12 LEU A 78 6.791 -3.232 1.122 1.00 1.00 H new ATOM 0 HD13 LEU A 78 7.666 -3.243 -0.428 1.00 1.00 H new ATOM 0 HD21 LEU A 78 6.675 -6.024 -1.302 1.00 1.00 H new ATOM 0 HD22 LEU A 78 8.370 -5.497 -1.423 1.00 1.00 H new ATOM 0 HD23 LEU A 78 7.962 -6.985 -0.536 1.00 1.00 H new ATOM 1070 N GLY A 79 9.279 -6.593 3.740 1.00 1.00 N ATOM 1071 CA GLY A 79 9.081 -7.682 4.680 1.00 1.00 C ATOM 1072 C GLY A 79 8.951 -7.176 6.101 1.00 1.00 C ATOM 1073 O GLY A 79 8.205 -7.735 6.905 1.00 1.00 O ATOM 0 H GLY A 79 10.119 -6.667 3.167 1.00 1.00 H new ATOM 0 HA2 GLY A 79 8.184 -8.239 4.408 1.00 1.00 H new ATOM 0 HA3 GLY A 79 9.919 -8.376 4.616 1.00 1.00 H new ATOM 1077 N GLU A 80 9.673 -6.102 6.402 1.00 1.00 N ATOM 1078 CA GLU A 80 9.636 -5.494 7.724 1.00 1.00 C ATOM 1079 C GLU A 80 8.321 -4.740 7.916 1.00 1.00 C ATOM 1080 O GLU A 80 7.814 -4.625 9.031 1.00 1.00 O ATOM 1081 CB GLU A 80 10.835 -4.552 7.900 1.00 1.00 C ATOM 1082 CG GLU A 80 10.675 -3.530 9.017 1.00 1.00 C ATOM 1083 CD GLU A 80 10.178 -4.145 10.311 1.00 1.00 C ATOM 1084 OE1 GLU A 80 10.784 -5.137 10.767 1.00 1.00 O ATOM 1085 OE2 GLU A 80 9.183 -3.635 10.867 1.00 1.00 O ATOM 0 H GLU A 80 10.294 -5.633 5.743 1.00 1.00 H new ATOM 0 HA GLU A 80 9.697 -6.276 8.481 1.00 1.00 H new ATOM 0 HB2 GLU A 80 11.725 -5.150 8.096 1.00 1.00 H new ATOM 0 HB3 GLU A 80 11.006 -4.023 6.962 1.00 1.00 H new ATOM 0 HG2 GLU A 80 11.633 -3.042 9.197 1.00 1.00 H new ATOM 0 HG3 GLU A 80 9.978 -2.755 8.697 1.00 1.00 H new ATOM 1092 N LEU A 81 7.774 -4.236 6.813 1.00 1.00 N ATOM 1093 CA LEU A 81 6.516 -3.501 6.844 1.00 1.00 C ATOM 1094 C LEU A 81 5.360 -4.431 7.189 1.00 1.00 C ATOM 1095 O LEU A 81 4.684 -4.255 8.202 1.00 1.00 O ATOM 1096 CB LEU A 81 6.264 -2.839 5.488 1.00 1.00 C ATOM 1097 CG LEU A 81 4.927 -2.108 5.356 1.00 1.00 C ATOM 1098 CD1 LEU A 81 4.974 -0.775 6.084 1.00 1.00 C ATOM 1099 CD2 LEU A 81 4.576 -1.904 3.890 1.00 1.00 C ATOM 0 H LEU A 81 8.185 -4.325 5.884 1.00 1.00 H new ATOM 0 HA LEU A 81 6.584 -2.731 7.613 1.00 1.00 H new ATOM 0 HB2 LEU A 81 7.068 -2.129 5.294 1.00 1.00 H new ATOM 0 HB3 LEU A 81 6.319 -3.604 4.713 1.00 1.00 H new ATOM 0 HG LEU A 81 4.151 -2.722 5.814 1.00 1.00 H new ATOM 0 HD11 LEU A 81 4.014 -0.269 5.979 1.00 1.00 H new ATOM 0 HD12 LEU A 81 5.181 -0.945 7.141 1.00 1.00 H new ATOM 0 HD13 LEU A 81 5.760 -0.154 5.655 1.00 1.00 H new ATOM 0 HD21 LEU A 81 3.622 -1.383 3.813 1.00 1.00 H new ATOM 0 HD22 LEU A 81 5.353 -1.311 3.409 1.00 1.00 H new ATOM 0 HD23 LEU A 81 4.501 -2.873 3.396 1.00 1.00 H new ATOM 1111 N PHE A 82 5.142 -5.424 6.334 1.00 1.00 N ATOM 1112 CA PHE A 82 4.070 -6.391 6.539 1.00 1.00 C ATOM 1113 C PHE A 82 4.375 -7.302 7.724 1.00 1.00 C ATOM 1114 O PHE A 82 3.465 -7.825 8.367 1.00 1.00 O ATOM 1115 CB PHE A 82 3.866 -7.230 5.276 1.00 1.00 C ATOM 1116 CG PHE A 82 3.782 -6.413 4.018 1.00 1.00 C ATOM 1117 CD1 PHE A 82 3.052 -5.235 3.988 1.00 1.00 C ATOM 1118 CD2 PHE A 82 4.432 -6.824 2.865 1.00 1.00 C ATOM 1119 CE1 PHE A 82 2.974 -4.482 2.831 1.00 1.00 C ATOM 1120 CE2 PHE A 82 4.357 -6.075 1.706 1.00 1.00 C ATOM 1121 CZ PHE A 82 3.626 -4.902 1.689 1.00 1.00 C ATOM 0 H PHE A 82 5.694 -5.581 5.491 1.00 1.00 H new ATOM 0 HA PHE A 82 3.155 -5.840 6.755 1.00 1.00 H new ATOM 0 HB2 PHE A 82 4.689 -7.939 5.184 1.00 1.00 H new ATOM 0 HB3 PHE A 82 2.952 -7.814 5.382 1.00 1.00 H new ATOM 0 HD1 PHE A 82 2.539 -4.902 4.878 1.00 1.00 H new ATOM 0 HD2 PHE A 82 5.004 -7.740 2.872 1.00 1.00 H new ATOM 0 HE1 PHE A 82 2.403 -3.565 2.821 1.00 1.00 H new ATOM 0 HE2 PHE A 82 4.869 -6.406 0.814 1.00 1.00 H new ATOM 0 HZ PHE A 82 3.565 -4.315 0.784 1.00 1.00 H new ATOM 1131 N GLY A 83 5.660 -7.489 8.008 1.00 1.00 N ATOM 1132 CA GLY A 83 6.059 -8.338 9.116 1.00 1.00 C ATOM 1133 C GLY A 83 6.149 -9.799 8.722 1.00 1.00 C ATOM 1134 O GLY A 83 5.858 -10.685 9.526 1.00 1.00 O ATOM 0 H GLY A 83 6.432 -7.068 7.491 1.00 1.00 H new ATOM 0 HA2 GLY A 83 7.026 -8.006 9.494 1.00 1.00 H new ATOM 0 HA3 GLY A 83 5.343 -8.228 9.931 1.00 1.00 H new ATOM 1138 N VAL A 84 6.554 -10.051 7.482 1.00 1.00 N ATOM 1139 CA VAL A 84 6.682 -11.415 6.982 1.00 1.00 C ATOM 1140 C VAL A 84 8.014 -11.615 6.267 1.00 1.00 C ATOM 1141 O VAL A 84 8.649 -10.653 5.835 1.00 1.00 O ATOM 1142 CB VAL A 84 5.536 -11.770 6.016 1.00 1.00 C ATOM 1143 CG1 VAL A 84 4.218 -11.879 6.769 1.00 1.00 C ATOM 1144 CG2 VAL A 84 5.438 -10.740 4.899 1.00 1.00 C ATOM 0 H VAL A 84 6.799 -9.329 6.805 1.00 1.00 H new ATOM 0 HA VAL A 84 6.634 -12.075 7.848 1.00 1.00 H new ATOM 0 HB VAL A 84 5.752 -12.739 5.566 1.00 1.00 H new ATOM 0 HG11 VAL A 84 3.420 -12.130 6.071 1.00 1.00 H new ATOM 0 HG12 VAL A 84 4.296 -12.658 7.527 1.00 1.00 H new ATOM 0 HG13 VAL A 84 3.993 -10.927 7.249 1.00 1.00 H new ATOM 0 HG21 VAL A 84 4.623 -11.008 4.227 1.00 1.00 H new ATOM 0 HG22 VAL A 84 5.246 -9.756 5.327 1.00 1.00 H new ATOM 0 HG23 VAL A 84 6.375 -10.717 4.342 1.00 1.00 H new ATOM 1154 N GLN A 85 8.432 -12.871 6.145 1.00 1.00 N ATOM 1155 CA GLN A 85 9.688 -13.198 5.483 1.00 1.00 C ATOM 1156 C GLN A 85 9.487 -13.340 3.977 1.00 1.00 C ATOM 1157 O GLN A 85 10.375 -13.015 3.189 1.00 1.00 O ATOM 1158 CB GLN A 85 10.266 -14.493 6.062 1.00 1.00 C ATOM 1159 CG GLN A 85 11.521 -14.973 5.351 1.00 1.00 C ATOM 1160 CD GLN A 85 12.030 -16.293 5.897 1.00 1.00 C ATOM 1161 OE1 GLN A 85 11.595 -17.363 5.472 1.00 1.00 O ATOM 1162 NE2 GLN A 85 12.958 -16.223 6.845 1.00 1.00 N ATOM 0 H GLN A 85 7.918 -13.679 6.497 1.00 1.00 H new ATOM 0 HA GLN A 85 10.391 -12.384 5.659 1.00 1.00 H new ATOM 0 HB2 GLN A 85 10.493 -14.339 7.117 1.00 1.00 H new ATOM 0 HB3 GLN A 85 9.508 -15.274 6.009 1.00 1.00 H new ATOM 0 HG2 GLN A 85 11.313 -15.080 4.286 1.00 1.00 H new ATOM 0 HG3 GLN A 85 12.301 -14.218 5.449 1.00 1.00 H new ATOM 0 HE21 GLN A 85 13.290 -15.314 7.168 1.00 1.00 H new ATOM 0 HE22 GLN A 85 13.339 -17.078 7.250 1.00 1.00 H new ATOM 1171 N GLU A 86 8.314 -13.826 3.585 1.00 1.00 N ATOM 1172 CA GLU A 86 7.996 -14.010 2.174 1.00 1.00 C ATOM 1173 C GLU A 86 6.489 -13.968 1.949 1.00 1.00 C ATOM 1174 O GLU A 86 5.707 -14.166 2.879 1.00 1.00 O ATOM 1175 CB GLU A 86 8.563 -15.338 1.670 1.00 1.00 C ATOM 1176 CG GLU A 86 7.941 -16.557 2.332 1.00 1.00 C ATOM 1177 CD GLU A 86 7.697 -17.690 1.355 1.00 1.00 C ATOM 1178 OE1 GLU A 86 6.602 -17.731 0.755 1.00 1.00 O ATOM 1179 OE2 GLU A 86 8.601 -18.536 1.188 1.00 1.00 O ATOM 0 H GLU A 86 7.568 -14.099 4.225 1.00 1.00 H new ATOM 0 HA GLU A 86 8.453 -13.194 1.614 1.00 1.00 H new ATOM 0 HB2 GLU A 86 8.411 -15.403 0.593 1.00 1.00 H new ATOM 0 HB3 GLU A 86 9.639 -15.352 1.841 1.00 1.00 H new ATOM 0 HG2 GLU A 86 8.596 -16.906 3.131 1.00 1.00 H new ATOM 0 HG3 GLU A 86 6.996 -16.272 2.795 1.00 1.00 H new ATOM 1186 N PHE A 87 6.086 -13.711 0.709 1.00 1.00 N ATOM 1187 CA PHE A 87 4.671 -13.645 0.367 1.00 1.00 C ATOM 1188 C PHE A 87 4.463 -13.787 -1.138 1.00 1.00 C ATOM 1189 O PHE A 87 5.012 -13.017 -1.926 1.00 1.00 O ATOM 1190 CB PHE A 87 4.064 -12.327 0.862 1.00 1.00 C ATOM 1191 CG PHE A 87 4.442 -11.132 0.030 1.00 1.00 C ATOM 1192 CD1 PHE A 87 5.618 -10.443 0.276 1.00 1.00 C ATOM 1193 CD2 PHE A 87 3.618 -10.701 -0.997 1.00 1.00 C ATOM 1194 CE1 PHE A 87 5.966 -9.345 -0.487 1.00 1.00 C ATOM 1195 CE2 PHE A 87 3.961 -9.604 -1.764 1.00 1.00 C ATOM 1196 CZ PHE A 87 5.137 -8.925 -1.509 1.00 1.00 C ATOM 0 H PHE A 87 6.718 -13.545 -0.074 1.00 1.00 H new ATOM 0 HA PHE A 87 4.166 -14.475 0.861 1.00 1.00 H new ATOM 0 HB2 PHE A 87 2.978 -12.420 0.874 1.00 1.00 H new ATOM 0 HB3 PHE A 87 4.381 -12.156 1.891 1.00 1.00 H new ATOM 0 HD1 PHE A 87 6.270 -10.768 1.073 1.00 1.00 H new ATOM 0 HD2 PHE A 87 2.698 -11.228 -1.200 1.00 1.00 H new ATOM 0 HE1 PHE A 87 6.885 -8.816 -0.285 1.00 1.00 H new ATOM 0 HE2 PHE A 87 3.311 -9.278 -2.562 1.00 1.00 H new ATOM 0 HZ PHE A 87 5.408 -8.068 -2.107 1.00 1.00 H new ATOM 1206 N SER A 88 3.662 -14.772 -1.530 1.00 1.00 N ATOM 1207 CA SER A 88 3.377 -15.007 -2.940 1.00 1.00 C ATOM 1208 C SER A 88 2.267 -14.080 -3.422 1.00 1.00 C ATOM 1209 O SER A 88 1.183 -14.042 -2.840 1.00 1.00 O ATOM 1210 CB SER A 88 2.975 -16.465 -3.166 1.00 1.00 C ATOM 1211 OG SER A 88 1.672 -16.719 -2.669 1.00 1.00 O ATOM 0 H SER A 88 3.199 -15.419 -0.892 1.00 1.00 H new ATOM 0 HA SER A 88 4.281 -14.798 -3.512 1.00 1.00 H new ATOM 0 HB2 SER A 88 3.012 -16.695 -4.231 1.00 1.00 H new ATOM 0 HB3 SER A 88 3.690 -17.123 -2.673 1.00 1.00 H new ATOM 0 HG SER A 88 1.223 -15.869 -2.479 1.00 1.00 H new ATOM 1217 N VAL A 89 2.542 -13.330 -4.485 1.00 1.00 N ATOM 1218 CA VAL A 89 1.555 -12.402 -5.032 1.00 1.00 C ATOM 1219 C VAL A 89 0.292 -13.134 -5.487 1.00 1.00 C ATOM 1220 O VAL A 89 -0.744 -12.510 -5.716 1.00 1.00 O ATOM 1221 CB VAL A 89 2.102 -11.564 -6.214 1.00 1.00 C ATOM 1222 CG1 VAL A 89 2.566 -10.201 -5.726 1.00 1.00 C ATOM 1223 CG2 VAL A 89 3.228 -12.284 -6.943 1.00 1.00 C ATOM 0 H VAL A 89 3.432 -13.345 -4.982 1.00 1.00 H new ATOM 0 HA VAL A 89 1.314 -11.721 -4.216 1.00 1.00 H new ATOM 0 HB VAL A 89 1.288 -11.426 -6.926 1.00 1.00 H new ATOM 0 HG11 VAL A 89 2.948 -9.624 -6.568 1.00 1.00 H new ATOM 0 HG12 VAL A 89 1.727 -9.672 -5.274 1.00 1.00 H new ATOM 0 HG13 VAL A 89 3.356 -10.329 -4.986 1.00 1.00 H new ATOM 0 HG21 VAL A 89 3.584 -11.663 -7.765 1.00 1.00 H new ATOM 0 HG22 VAL A 89 4.047 -12.474 -6.250 1.00 1.00 H new ATOM 0 HG23 VAL A 89 2.859 -13.231 -7.337 1.00 1.00 H new ATOM 1233 N LYS A 90 0.376 -14.457 -5.617 1.00 1.00 N ATOM 1234 CA LYS A 90 -0.770 -15.257 -6.043 1.00 1.00 C ATOM 1235 C LYS A 90 -2.005 -14.934 -5.205 1.00 1.00 C ATOM 1236 O LYS A 90 -3.080 -14.671 -5.743 1.00 1.00 O ATOM 1237 CB LYS A 90 -0.444 -16.748 -5.937 1.00 1.00 C ATOM 1238 CG LYS A 90 -1.460 -17.643 -6.627 1.00 1.00 C ATOM 1239 CD LYS A 90 -0.800 -18.867 -7.240 1.00 1.00 C ATOM 1240 CE LYS A 90 -1.642 -19.452 -8.362 1.00 1.00 C ATOM 1241 NZ LYS A 90 -1.047 -20.702 -8.911 1.00 1.00 N ATOM 0 H LYS A 90 1.223 -14.996 -5.434 1.00 1.00 H new ATOM 0 HA LYS A 90 -0.986 -15.011 -7.083 1.00 1.00 H new ATOM 0 HB2 LYS A 90 0.540 -16.928 -6.370 1.00 1.00 H new ATOM 0 HB3 LYS A 90 -0.384 -17.024 -4.884 1.00 1.00 H new ATOM 0 HG2 LYS A 90 -2.216 -17.958 -5.908 1.00 1.00 H new ATOM 0 HG3 LYS A 90 -1.975 -17.078 -7.404 1.00 1.00 H new ATOM 0 HD2 LYS A 90 0.183 -18.597 -7.625 1.00 1.00 H new ATOM 0 HD3 LYS A 90 -0.644 -19.622 -6.469 1.00 1.00 H new ATOM 0 HE2 LYS A 90 -2.646 -19.660 -7.992 1.00 1.00 H new ATOM 0 HE3 LYS A 90 -1.743 -18.717 -9.161 1.00 1.00 H new ATOM 0 HZ1 LYS A 90 -1.652 -21.069 -9.674 1.00 1.00 H new ATOM 0 HZ2 LYS A 90 -0.099 -20.499 -9.288 1.00 1.00 H new ATOM 0 HZ3 LYS A 90 -0.974 -21.413 -8.155 1.00 1.00 H new ATOM 1255 N GLU A 91 -1.841 -14.948 -3.885 1.00 1.00 N ATOM 1256 CA GLU A 91 -2.941 -14.648 -2.975 1.00 1.00 C ATOM 1257 C GLU A 91 -3.213 -13.148 -2.940 1.00 1.00 C ATOM 1258 O GLU A 91 -2.714 -12.436 -2.068 1.00 1.00 O ATOM 1259 CB GLU A 91 -2.621 -15.156 -1.568 1.00 1.00 C ATOM 1260 CG GLU A 91 -2.457 -16.665 -1.489 1.00 1.00 C ATOM 1261 CD GLU A 91 -3.757 -17.377 -1.169 1.00 1.00 C ATOM 1262 OE1 GLU A 91 -4.316 -17.130 -0.079 1.00 1.00 O ATOM 1263 OE2 GLU A 91 -4.216 -18.181 -2.007 1.00 1.00 O ATOM 0 H GLU A 91 -0.958 -15.164 -3.423 1.00 1.00 H new ATOM 0 HA GLU A 91 -3.835 -15.156 -3.338 1.00 1.00 H new ATOM 0 HB2 GLU A 91 -1.705 -14.680 -1.219 1.00 1.00 H new ATOM 0 HB3 GLU A 91 -3.418 -14.849 -0.890 1.00 1.00 H new ATOM 0 HG2 GLU A 91 -2.069 -17.035 -2.438 1.00 1.00 H new ATOM 0 HG3 GLU A 91 -1.717 -16.907 -0.726 1.00 1.00 H new ATOM 1270 N HIS A 92 -3.999 -12.674 -3.901 1.00 1.00 N ATOM 1271 CA HIS A 92 -4.332 -11.257 -3.994 1.00 1.00 C ATOM 1272 C HIS A 92 -4.948 -10.737 -2.697 1.00 1.00 C ATOM 1273 O HIS A 92 -4.483 -9.747 -2.133 1.00 1.00 O ATOM 1274 CB HIS A 92 -5.295 -11.016 -5.158 1.00 1.00 C ATOM 1275 CG HIS A 92 -4.699 -11.314 -6.498 1.00 1.00 C ATOM 1276 ND1 HIS A 92 -5.458 -11.530 -7.629 1.00 1.00 N ATOM 1277 CD2 HIS A 92 -3.407 -11.430 -6.887 1.00 1.00 C ATOM 1278 CE1 HIS A 92 -4.660 -11.768 -8.655 1.00 1.00 C ATOM 1279 NE2 HIS A 92 -3.411 -11.713 -8.231 1.00 1.00 N ATOM 0 H HIS A 92 -4.419 -13.253 -4.629 1.00 1.00 H new ATOM 0 HA HIS A 92 -3.405 -10.711 -4.169 1.00 1.00 H new ATOM 0 HB2 HIS A 92 -6.182 -11.633 -5.019 1.00 1.00 H new ATOM 0 HB3 HIS A 92 -5.623 -9.977 -5.138 1.00 1.00 H new ATOM 0 HD2 HIS A 92 -2.536 -11.320 -6.258 1.00 1.00 H new ATOM 0 HE1 HIS A 92 -4.976 -11.973 -9.667 1.00 1.00 H new ATOM 0 HE2 HIS A 92 -2.583 -11.857 -8.808 1.00 1.00 H new ATOM 1288 N ARG A 93 -5.999 -11.406 -2.232 1.00 1.00 N ATOM 1289 CA ARG A 93 -6.683 -11.005 -1.005 1.00 1.00 C ATOM 1290 C ARG A 93 -5.689 -10.738 0.125 1.00 1.00 C ATOM 1291 O ARG A 93 -5.866 -9.810 0.914 1.00 1.00 O ATOM 1292 CB ARG A 93 -7.678 -12.085 -0.577 1.00 1.00 C ATOM 1293 CG ARG A 93 -8.571 -12.572 -1.707 1.00 1.00 C ATOM 1294 CD ARG A 93 -9.967 -12.915 -1.208 1.00 1.00 C ATOM 1295 NE ARG A 93 -10.421 -14.211 -1.705 1.00 1.00 N ATOM 1296 CZ ARG A 93 -11.625 -14.721 -1.454 1.00 1.00 C ATOM 1297 NH1 ARG A 93 -12.497 -14.048 -0.714 1.00 1.00 N ATOM 1298 NH2 ARG A 93 -11.958 -15.907 -1.944 1.00 1.00 N ATOM 0 H ARG A 93 -6.396 -12.229 -2.686 1.00 1.00 H new ATOM 0 HA ARG A 93 -7.221 -10.079 -1.211 1.00 1.00 H new ATOM 0 HB2 ARG A 93 -7.128 -12.933 -0.169 1.00 1.00 H new ATOM 0 HB3 ARG A 93 -8.303 -11.694 0.226 1.00 1.00 H new ATOM 0 HG2 ARG A 93 -8.638 -11.803 -2.476 1.00 1.00 H new ATOM 0 HG3 ARG A 93 -8.124 -13.451 -2.172 1.00 1.00 H new ATOM 0 HD2 ARG A 93 -9.971 -12.923 -0.118 1.00 1.00 H new ATOM 0 HD3 ARG A 93 -10.666 -12.140 -1.524 1.00 1.00 H new ATOM 0 HE ARG A 93 -9.778 -14.758 -2.278 1.00 1.00 H new ATOM 0 HH11 ARG A 93 -12.246 -13.135 -0.334 1.00 1.00 H new ATOM 0 HH12 ARG A 93 -13.418 -14.444 -0.525 1.00 1.00 H new ATOM 0 HH21 ARG A 93 -11.292 -16.429 -2.513 1.00 1.00 H new ATOM 0 HH22 ARG A 93 -12.880 -16.298 -1.752 1.00 1.00 H new ATOM 1312 N ARG A 94 -4.647 -11.559 0.196 1.00 1.00 N ATOM 1313 CA ARG A 94 -3.629 -11.414 1.230 1.00 1.00 C ATOM 1314 C ARG A 94 -2.754 -10.187 0.980 1.00 1.00 C ATOM 1315 O ARG A 94 -2.156 -9.643 1.909 1.00 1.00 O ATOM 1316 CB ARG A 94 -2.760 -12.673 1.295 1.00 1.00 C ATOM 1317 CG ARG A 94 -2.880 -13.427 2.611 1.00 1.00 C ATOM 1318 CD ARG A 94 -3.342 -14.860 2.397 1.00 1.00 C ATOM 1319 NE ARG A 94 -2.264 -15.715 1.905 1.00 1.00 N ATOM 1320 CZ ARG A 94 -1.281 -16.184 2.671 1.00 1.00 C ATOM 1321 NH1 ARG A 94 -1.237 -15.884 3.963 1.00 1.00 N ATOM 1322 NH2 ARG A 94 -0.341 -16.955 2.143 1.00 1.00 N ATOM 0 H ARG A 94 -4.485 -12.332 -0.450 1.00 1.00 H new ATOM 0 HA ARG A 94 -4.137 -11.278 2.185 1.00 1.00 H new ATOM 0 HB2 ARG A 94 -3.037 -13.339 0.478 1.00 1.00 H new ATOM 0 HB3 ARG A 94 -1.718 -12.394 1.139 1.00 1.00 H new ATOM 0 HG2 ARG A 94 -1.916 -13.427 3.120 1.00 1.00 H new ATOM 0 HG3 ARG A 94 -3.584 -12.911 3.263 1.00 1.00 H new ATOM 0 HD2 ARG A 94 -3.724 -15.262 3.336 1.00 1.00 H new ATOM 0 HD3 ARG A 94 -4.168 -14.872 1.686 1.00 1.00 H new ATOM 0 HE ARG A 94 -2.265 -15.967 0.917 1.00 1.00 H new ATOM 0 HH11 ARG A 94 -1.958 -15.291 4.374 1.00 1.00 H new ATOM 0 HH12 ARG A 94 -0.482 -16.246 4.545 1.00 1.00 H new ATOM 0 HH21 ARG A 94 -0.371 -17.189 1.151 1.00 1.00 H new ATOM 0 HH22 ARG A 94 0.412 -17.315 2.729 1.00 1.00 H new ATOM 1336 N ILE A 95 -2.676 -9.758 -0.276 1.00 1.00 N ATOM 1337 CA ILE A 95 -1.867 -8.599 -0.636 1.00 1.00 C ATOM 1338 C ILE A 95 -2.543 -7.295 -0.219 1.00 1.00 C ATOM 1339 O ILE A 95 -2.051 -6.585 0.657 1.00 1.00 O ATOM 1340 CB ILE A 95 -1.573 -8.566 -2.152 1.00 1.00 C ATOM 1341 CG1 ILE A 95 -0.777 -9.808 -2.560 1.00 1.00 C ATOM 1342 CG2 ILE A 95 -0.815 -7.298 -2.525 1.00 1.00 C ATOM 1343 CD1 ILE A 95 -0.324 -9.794 -4.004 1.00 1.00 C ATOM 0 H ILE A 95 -3.162 -10.194 -1.060 1.00 1.00 H new ATOM 0 HA ILE A 95 -0.924 -8.693 -0.097 1.00 1.00 H new ATOM 0 HB ILE A 95 -2.521 -8.565 -2.691 1.00 1.00 H new ATOM 0 HG12 ILE A 95 0.097 -9.896 -1.915 1.00 1.00 H new ATOM 0 HG13 ILE A 95 -1.389 -10.693 -2.389 1.00 1.00 H new ATOM 0 HG21 ILE A 95 -0.618 -7.294 -3.597 1.00 1.00 H new ATOM 0 HG22 ILE A 95 -1.414 -6.426 -2.263 1.00 1.00 H new ATOM 0 HG23 ILE A 95 0.130 -7.266 -1.982 1.00 1.00 H new ATOM 0 HD11 ILE A 95 0.233 -10.706 -4.219 1.00 1.00 H new ATOM 0 HD12 ILE A 95 -1.194 -9.738 -4.658 1.00 1.00 H new ATOM 0 HD13 ILE A 95 0.316 -8.928 -4.176 1.00 1.00 H new ATOM 1355 N TYR A 96 -3.669 -6.978 -0.852 1.00 1.00 N ATOM 1356 CA TYR A 96 -4.397 -5.753 -0.541 1.00 1.00 C ATOM 1357 C TYR A 96 -4.740 -5.675 0.946 1.00 1.00 C ATOM 1358 O TYR A 96 -4.977 -4.592 1.481 1.00 1.00 O ATOM 1359 CB TYR A 96 -5.679 -5.673 -1.373 1.00 1.00 C ATOM 1360 CG TYR A 96 -5.453 -5.528 -2.866 1.00 1.00 C ATOM 1361 CD1 TYR A 96 -4.194 -5.691 -3.435 1.00 1.00 C ATOM 1362 CD2 TYR A 96 -6.514 -5.230 -3.710 1.00 1.00 C ATOM 1363 CE1 TYR A 96 -4.006 -5.561 -4.798 1.00 1.00 C ATOM 1364 CE2 TYR A 96 -6.333 -5.097 -5.072 1.00 1.00 C ATOM 1365 CZ TYR A 96 -5.079 -5.264 -5.611 1.00 1.00 C ATOM 1366 OH TYR A 96 -4.896 -5.133 -6.968 1.00 1.00 O ATOM 0 H TYR A 96 -4.095 -7.550 -1.581 1.00 1.00 H new ATOM 0 HA TYR A 96 -3.752 -4.910 -0.789 1.00 1.00 H new ATOM 0 HB2 TYR A 96 -6.270 -6.571 -1.194 1.00 1.00 H new ATOM 0 HB3 TYR A 96 -6.271 -4.827 -1.024 1.00 1.00 H new ATOM 0 HD1 TYR A 96 -3.350 -5.923 -2.802 1.00 1.00 H new ATOM 0 HD2 TYR A 96 -7.501 -5.100 -3.292 1.00 1.00 H new ATOM 0 HE1 TYR A 96 -3.022 -5.692 -5.225 1.00 1.00 H new ATOM 0 HE2 TYR A 96 -7.172 -4.863 -5.711 1.00 1.00 H new ATOM 0 HH TYR A 96 -5.753 -4.924 -7.395 1.00 1.00 H new ATOM 1376 N ALA A 97 -4.775 -6.829 1.608 1.00 1.00 N ATOM 1377 CA ALA A 97 -5.100 -6.886 3.029 1.00 1.00 C ATOM 1378 C ALA A 97 -3.921 -6.455 3.899 1.00 1.00 C ATOM 1379 O ALA A 97 -4.095 -5.717 4.869 1.00 1.00 O ATOM 1380 CB ALA A 97 -5.547 -8.290 3.408 1.00 1.00 C ATOM 0 H ALA A 97 -4.582 -7.736 1.183 1.00 1.00 H new ATOM 0 HA ALA A 97 -5.916 -6.186 3.210 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -5.787 -8.321 4.471 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -6.430 -8.560 2.829 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -4.745 -8.997 3.197 1.00 1.00 H new ATOM 1386 N MET A 98 -2.724 -6.925 3.559 1.00 1.00 N ATOM 1387 CA MET A 98 -1.529 -6.589 4.327 1.00 1.00 C ATOM 1388 C MET A 98 -1.151 -5.118 4.153 1.00 1.00 C ATOM 1389 O MET A 98 -0.714 -4.465 5.101 1.00 1.00 O ATOM 1390 CB MET A 98 -0.361 -7.500 3.926 1.00 1.00 C ATOM 1391 CG MET A 98 0.347 -7.087 2.644 1.00 1.00 C ATOM 1392 SD MET A 98 0.995 -8.500 1.729 1.00 1.00 S ATOM 1393 CE MET A 98 2.096 -7.683 0.578 1.00 1.00 C ATOM 0 H MET A 98 -2.556 -7.537 2.760 1.00 1.00 H new ATOM 0 HA MET A 98 -1.751 -6.751 5.382 1.00 1.00 H new ATOM 0 HB2 MET A 98 0.366 -7.518 4.738 1.00 1.00 H new ATOM 0 HB3 MET A 98 -0.733 -8.518 3.809 1.00 1.00 H new ATOM 0 HG2 MET A 98 -0.347 -6.535 2.010 1.00 1.00 H new ATOM 0 HG3 MET A 98 1.165 -6.409 2.887 1.00 1.00 H new ATOM 0 HE1 MET A 98 1.835 -7.970 -0.441 1.00 1.00 H new ATOM 0 HE2 MET A 98 2.000 -6.603 0.687 1.00 1.00 H new ATOM 0 HE3 MET A 98 3.124 -7.979 0.786 1.00 1.00 H new ATOM 1403 N ILE A 99 -1.327 -4.601 2.942 1.00 1.00 N ATOM 1404 CA ILE A 99 -1.005 -3.208 2.656 1.00 1.00 C ATOM 1405 C ILE A 99 -2.025 -2.269 3.291 1.00 1.00 C ATOM 1406 O ILE A 99 -1.698 -1.142 3.662 1.00 1.00 O ATOM 1407 CB ILE A 99 -0.950 -2.943 1.139 1.00 1.00 C ATOM 1408 CG1 ILE A 99 -2.255 -3.384 0.473 1.00 1.00 C ATOM 1409 CG2 ILE A 99 0.240 -3.661 0.520 1.00 1.00 C ATOM 1410 CD1 ILE A 99 -3.098 -2.229 -0.019 1.00 1.00 C ATOM 0 H ILE A 99 -1.690 -5.124 2.145 1.00 1.00 H new ATOM 0 HA ILE A 99 -0.021 -3.015 3.084 1.00 1.00 H new ATOM 0 HB ILE A 99 -0.828 -1.872 0.976 1.00 1.00 H new ATOM 0 HG12 ILE A 99 -2.022 -4.038 -0.367 1.00 1.00 H new ATOM 0 HG13 ILE A 99 -2.836 -3.972 1.183 1.00 1.00 H new ATOM 0 HG21 ILE A 99 0.266 -3.465 -0.552 1.00 1.00 H new ATOM 0 HG22 ILE A 99 1.161 -3.300 0.978 1.00 1.00 H new ATOM 0 HG23 ILE A 99 0.147 -4.734 0.690 1.00 1.00 H new ATOM 0 HD11 ILE A 99 -4.008 -2.613 -0.480 1.00 1.00 H new ATOM 0 HD12 ILE A 99 -3.360 -1.586 0.821 1.00 1.00 H new ATOM 0 HD13 ILE A 99 -2.534 -1.654 -0.753 1.00 1.00 H new ATOM 1422 N SER A 100 -3.260 -2.743 3.419 1.00 1.00 N ATOM 1423 CA SER A 100 -4.324 -1.947 4.016 1.00 1.00 C ATOM 1424 C SER A 100 -4.134 -1.843 5.525 1.00 1.00 C ATOM 1425 O SER A 100 -4.493 -0.838 6.139 1.00 1.00 O ATOM 1426 CB SER A 100 -5.690 -2.562 3.703 1.00 1.00 C ATOM 1427 OG SER A 100 -6.737 -1.647 3.978 1.00 1.00 O ATOM 0 H SER A 100 -3.548 -3.674 3.117 1.00 1.00 H new ATOM 0 HA SER A 100 -4.281 -0.945 3.589 1.00 1.00 H new ATOM 0 HB2 SER A 100 -5.727 -2.858 2.655 1.00 1.00 H new ATOM 0 HB3 SER A 100 -5.829 -3.467 4.295 1.00 1.00 H new ATOM 0 HG SER A 100 -7.599 -2.064 3.768 1.00 1.00 H new ATOM 1433 N ARG A 101 -3.561 -2.887 6.116 1.00 1.00 N ATOM 1434 CA ARG A 101 -3.316 -2.913 7.552 1.00 1.00 C ATOM 1435 C ARG A 101 -2.196 -1.948 7.931 1.00 1.00 C ATOM 1436 O ARG A 101 -2.117 -1.493 9.072 1.00 1.00 O ATOM 1437 CB ARG A 101 -2.956 -4.330 8.004 1.00 1.00 C ATOM 1438 CG ARG A 101 -4.066 -5.343 7.775 1.00 1.00 C ATOM 1439 CD ARG A 101 -3.506 -6.730 7.500 1.00 1.00 C ATOM 1440 NE ARG A 101 -3.609 -7.604 8.667 1.00 1.00 N ATOM 1441 CZ ARG A 101 -2.891 -8.713 8.828 1.00 1.00 C ATOM 1442 NH1 ARG A 101 -2.019 -9.089 7.900 1.00 1.00 N ATOM 1443 NH2 ARG A 101 -3.046 -9.450 9.919 1.00 1.00 N ATOM 0 H ARG A 101 -3.258 -3.726 5.621 1.00 1.00 H new ATOM 0 HA ARG A 101 -4.230 -2.598 8.056 1.00 1.00 H new ATOM 0 HB2 ARG A 101 -2.063 -4.656 7.472 1.00 1.00 H new ATOM 0 HB3 ARG A 101 -2.706 -4.311 9.065 1.00 1.00 H new ATOM 0 HG2 ARG A 101 -4.714 -5.378 8.650 1.00 1.00 H new ATOM 0 HG3 ARG A 101 -4.683 -5.025 6.934 1.00 1.00 H new ATOM 0 HD2 ARG A 101 -4.042 -7.178 6.663 1.00 1.00 H new ATOM 0 HD3 ARG A 101 -2.461 -6.646 7.201 1.00 1.00 H new ATOM 0 HE ARG A 101 -4.270 -7.349 9.401 1.00 1.00 H new ATOM 0 HH11 ARG A 101 -1.896 -8.527 7.058 1.00 1.00 H new ATOM 0 HH12 ARG A 101 -1.472 -9.940 8.029 1.00 1.00 H new ATOM 0 HH21 ARG A 101 -3.715 -9.167 10.635 1.00 1.00 H new ATOM 0 HH22 ARG A 101 -2.496 -10.300 10.043 1.00 1.00 H new ATOM 1457 N ASN A 102 -1.329 -1.641 6.969 1.00 1.00 N ATOM 1458 CA ASN A 102 -0.214 -0.732 7.208 1.00 1.00 C ATOM 1459 C ASN A 102 -0.583 0.707 6.847 1.00 1.00 C ATOM 1460 O ASN A 102 0.243 1.458 6.327 1.00 1.00 O ATOM 1461 CB ASN A 102 1.014 -1.177 6.408 1.00 1.00 C ATOM 1462 CG ASN A 102 2.057 -1.851 7.287 1.00 1.00 C ATOM 1463 OD1 ASN A 102 2.950 -1.189 7.817 1.00 1.00 O ATOM 1464 ND2 ASN A 102 1.952 -3.168 7.460 1.00 1.00 N ATOM 0 H ASN A 102 -1.378 -2.008 6.019 1.00 1.00 H new ATOM 0 HA ASN A 102 0.022 -0.764 8.272 1.00 1.00 H new ATOM 0 HB2 ASN A 102 0.704 -1.865 5.622 1.00 1.00 H new ATOM 0 HB3 ASN A 102 1.459 -0.312 5.917 1.00 1.00 H new ATOM 0 HD21 ASN A 102 2.625 -3.660 8.048 1.00 1.00 H new ATOM 0 HD22 ASN A 102 1.199 -3.684 7.005 1.00 1.00 H new ATOM 1471 N LEU A 103 -1.825 1.087 7.130 1.00 1.00 N ATOM 1472 CA LEU A 103 -2.296 2.437 6.839 1.00 1.00 C ATOM 1473 C LEU A 103 -2.570 3.203 8.131 1.00 1.00 C ATOM 1474 O LEU A 103 -3.544 2.928 8.830 1.00 1.00 O ATOM 1475 CB LEU A 103 -3.563 2.385 5.985 1.00 1.00 C ATOM 1476 CG LEU A 103 -3.438 1.578 4.691 1.00 1.00 C ATOM 1477 CD1 LEU A 103 -4.769 1.536 3.958 1.00 1.00 C ATOM 1478 CD2 LEU A 103 -2.354 2.167 3.800 1.00 1.00 C ATOM 0 H LEU A 103 -2.523 0.480 7.560 1.00 1.00 H new ATOM 0 HA LEU A 103 -1.516 2.958 6.284 1.00 1.00 H new ATOM 0 HB2 LEU A 103 -4.369 1.961 6.583 1.00 1.00 H new ATOM 0 HB3 LEU A 103 -3.855 3.404 5.733 1.00 1.00 H new ATOM 0 HG LEU A 103 -3.156 0.557 4.947 1.00 1.00 H new ATOM 0 HD11 LEU A 103 -4.661 0.958 3.040 1.00 1.00 H new ATOM 0 HD12 LEU A 103 -5.520 1.069 4.595 1.00 1.00 H new ATOM 0 HD13 LEU A 103 -5.081 2.551 3.713 1.00 1.00 H new ATOM 0 HD21 LEU A 103 -2.278 1.581 2.884 1.00 1.00 H new ATOM 0 HD22 LEU A 103 -2.607 3.198 3.552 1.00 1.00 H new ATOM 0 HD23 LEU A 103 -1.399 2.144 4.325 1.00 1.00 H new ATOM 1490 N VAL A 104 -1.700 4.160 8.445 1.00 1.00 N ATOM 1491 CA VAL A 104 -1.849 4.958 9.661 1.00 1.00 C ATOM 1492 C VAL A 104 -3.249 5.571 9.760 1.00 1.00 C ATOM 1493 O VAL A 104 -4.132 5.007 10.406 1.00 1.00 O ATOM 1494 CB VAL A 104 -0.782 6.076 9.762 1.00 1.00 C ATOM 1495 CG1 VAL A 104 0.436 5.573 10.520 1.00 1.00 C ATOM 1496 CG2 VAL A 104 -0.376 6.590 8.386 1.00 1.00 C ATOM 0 H VAL A 104 -0.888 4.402 7.878 1.00 1.00 H new ATOM 0 HA VAL A 104 -1.702 4.273 10.496 1.00 1.00 H new ATOM 0 HB VAL A 104 -1.223 6.909 10.309 1.00 1.00 H new ATOM 0 HG11 VAL A 104 1.179 6.368 10.584 1.00 1.00 H new ATOM 0 HG12 VAL A 104 0.140 5.271 11.525 1.00 1.00 H new ATOM 0 HG13 VAL A 104 0.864 4.719 9.995 1.00 1.00 H new ATOM 0 HG21 VAL A 104 0.374 7.373 8.497 1.00 1.00 H new ATOM 0 HG22 VAL A 104 0.039 5.770 7.799 1.00 1.00 H new ATOM 0 HG23 VAL A 104 -1.250 6.994 7.876 1.00 1.00 H new ATOM 1506 N SER A 105 -3.451 6.722 9.123 1.00 1.00 N ATOM 1507 CA SER A 105 -4.746 7.391 9.150 1.00 1.00 C ATOM 1508 C SER A 105 -5.449 7.275 7.801 1.00 1.00 C ATOM 1509 O SER A 105 -4.855 7.538 6.756 1.00 1.00 O ATOM 1510 CB SER A 105 -4.574 8.865 9.523 1.00 1.00 C ATOM 1511 OG SER A 105 -5.824 9.469 9.805 1.00 1.00 O ATOM 0 H SER A 105 -2.735 7.209 8.583 1.00 1.00 H new ATOM 0 HA SER A 105 -5.363 6.901 9.903 1.00 1.00 H new ATOM 0 HB2 SER A 105 -3.921 8.950 10.392 1.00 1.00 H new ATOM 0 HB3 SER A 105 -4.086 9.396 8.705 1.00 1.00 H new ATOM 0 HG SER A 105 -5.687 10.410 10.042 1.00 1.00 H new ATOM 1517 N ALA A 106 -6.718 6.880 7.833 1.00 1.00 N ATOM 1518 CA ALA A 106 -7.504 6.730 6.615 1.00 1.00 C ATOM 1519 C ALA A 106 -8.450 7.911 6.426 1.00 1.00 C ATOM 1520 O ALA A 106 -9.198 8.271 7.335 1.00 1.00 O ATOM 1521 CB ALA A 106 -8.286 5.425 6.650 1.00 1.00 C ATOM 0 H ALA A 106 -7.224 6.658 8.691 1.00 1.00 H new ATOM 0 HA ALA A 106 -6.818 6.707 5.768 1.00 1.00 H new ATOM 0 HB1 ALA A 106 -8.869 5.325 5.734 1.00 1.00 H new ATOM 0 HB2 ALA A 106 -7.593 4.588 6.732 1.00 1.00 H new ATOM 0 HB3 ALA A 106 -8.957 5.426 7.509 1.00 1.00 H new ATOM 1527 N ASN A 107 -8.412 8.511 5.241 1.00 1.00 N ATOM 1528 CA ASN A 107 -9.266 9.653 4.935 1.00 1.00 C ATOM 1529 C ASN A 107 -10.564 9.202 4.273 1.00 1.00 C ATOM 1530 O ASN A 107 -10.593 8.902 3.080 1.00 1.00 O ATOM 1531 CB ASN A 107 -8.528 10.640 4.026 1.00 1.00 C ATOM 1532 CG ASN A 107 -8.240 11.958 4.717 1.00 1.00 C ATOM 1533 OD1 ASN A 107 -9.085 12.853 4.749 1.00 1.00 O ATOM 1534 ND2 ASN A 107 -7.042 12.085 5.275 1.00 1.00 N ATOM 0 H ASN A 107 -7.799 8.226 4.477 1.00 1.00 H new ATOM 0 HA ASN A 107 -9.514 10.151 5.872 1.00 1.00 H new ATOM 0 HB2 ASN A 107 -7.590 10.194 3.695 1.00 1.00 H new ATOM 0 HB3 ASN A 107 -9.126 10.824 3.133 1.00 1.00 H new ATOM 0 HD21 ASN A 107 -6.792 12.950 5.754 1.00 1.00 H new ATOM 0 HD22 ASN A 107 -6.372 11.318 5.225 1.00 1.00 H new ATOM 1541 N VAL A 108 -11.635 9.149 5.059 1.00 1.00 N ATOM 1542 CA VAL A 108 -12.934 8.726 4.553 1.00 1.00 C ATOM 1543 C VAL A 108 -13.483 9.706 3.526 1.00 1.00 C ATOM 1544 O VAL A 108 -13.177 10.898 3.558 1.00 1.00 O ATOM 1545 CB VAL A 108 -13.968 8.560 5.688 1.00 1.00 C ATOM 1546 CG1 VAL A 108 -13.969 7.126 6.162 1.00 1.00 C ATOM 1547 CG2 VAL A 108 -13.690 9.515 6.842 1.00 1.00 C ATOM 0 H VAL A 108 -11.628 9.394 6.049 1.00 1.00 H new ATOM 0 HA VAL A 108 -12.772 7.759 4.076 1.00 1.00 H new ATOM 0 HB VAL A 108 -14.955 8.809 5.298 1.00 1.00 H new ATOM 0 HG11 VAL A 108 -14.699 7.008 6.963 1.00 1.00 H new ATOM 0 HG12 VAL A 108 -14.231 6.469 5.333 1.00 1.00 H new ATOM 0 HG13 VAL A 108 -12.978 6.865 6.533 1.00 1.00 H new ATOM 0 HG21 VAL A 108 -14.437 9.370 7.622 1.00 1.00 H new ATOM 0 HG22 VAL A 108 -12.698 9.316 7.248 1.00 1.00 H new ATOM 0 HG23 VAL A 108 -13.735 10.543 6.483 1.00 1.00 H new ATOM 1557 N LYS A 109 -14.299 9.188 2.614 1.00 1.00 N ATOM 1558 CA LYS A 109 -14.901 10.008 1.570 1.00 1.00 C ATOM 1559 C LYS A 109 -15.952 10.947 2.154 1.00 1.00 C ATOM 1560 O LYS A 109 -17.007 10.507 2.611 1.00 1.00 O ATOM 1561 CB LYS A 109 -15.531 9.119 0.495 1.00 1.00 C ATOM 1562 CG LYS A 109 -15.253 9.589 -0.924 1.00 1.00 C ATOM 1563 CD LYS A 109 -16.539 9.912 -1.669 1.00 1.00 C ATOM 1564 CE LYS A 109 -16.460 9.487 -3.126 1.00 1.00 C ATOM 1565 NZ LYS A 109 -17.754 8.935 -3.614 1.00 1.00 N ATOM 0 H LYS A 109 -14.559 8.202 2.577 1.00 1.00 H new ATOM 0 HA LYS A 109 -14.115 10.612 1.116 1.00 1.00 H new ATOM 0 HB2 LYS A 109 -15.157 8.102 0.612 1.00 1.00 H new ATOM 0 HB3 LYS A 109 -16.609 9.082 0.652 1.00 1.00 H new ATOM 0 HG2 LYS A 109 -14.616 10.473 -0.897 1.00 1.00 H new ATOM 0 HG3 LYS A 109 -14.704 8.817 -1.463 1.00 1.00 H new ATOM 0 HD2 LYS A 109 -17.377 9.408 -1.187 1.00 1.00 H new ATOM 0 HD3 LYS A 109 -16.735 10.983 -1.611 1.00 1.00 H new ATOM 0 HE2 LYS A 109 -16.176 10.342 -3.739 1.00 1.00 H new ATOM 0 HE3 LYS A 109 -15.678 8.737 -3.244 1.00 1.00 H new ATOM 0 HZ1 LYS A 109 -17.659 8.657 -4.612 1.00 1.00 H new ATOM 0 HZ2 LYS A 109 -18.013 8.103 -3.046 1.00 1.00 H new ATOM 0 HZ3 LYS A 109 -18.496 9.659 -3.526 1.00 1.00 H new ATOM 1579 N GLU A 110 -15.657 12.244 2.135 1.00 1.00 N ATOM 1580 CA GLU A 110 -16.575 13.247 2.663 1.00 1.00 C ATOM 1581 C GLU A 110 -16.784 13.058 4.162 1.00 1.00 C ATOM 1582 O GLU A 110 -16.942 11.935 4.641 1.00 1.00 O ATOM 1583 CB GLU A 110 -17.920 13.174 1.935 1.00 1.00 C ATOM 1584 CG GLU A 110 -18.650 14.505 1.872 1.00 1.00 C ATOM 1585 CD GLU A 110 -19.608 14.701 3.031 1.00 1.00 C ATOM 1586 OE1 GLU A 110 -19.336 14.160 4.123 1.00 1.00 O ATOM 1587 OE2 GLU A 110 -20.630 15.394 2.846 1.00 1.00 O ATOM 0 H GLU A 110 -14.788 12.625 1.759 1.00 1.00 H new ATOM 0 HA GLU A 110 -16.133 14.230 2.497 1.00 1.00 H new ATOM 0 HB2 GLU A 110 -17.755 12.811 0.921 1.00 1.00 H new ATOM 0 HB3 GLU A 110 -18.556 12.444 2.436 1.00 1.00 H new ATOM 0 HG2 GLU A 110 -17.921 15.315 1.867 1.00 1.00 H new ATOM 0 HG3 GLU A 110 -19.202 14.568 0.934 1.00 1.00 H new ATOM 1594 N SER A 111 -16.784 14.164 4.898 1.00 1.00 N ATOM 1595 CA SER A 111 -16.974 14.120 6.344 1.00 1.00 C ATOM 1596 C SER A 111 -18.421 14.430 6.713 1.00 1.00 C ATOM 1597 O SER A 111 -18.933 15.507 6.410 1.00 1.00 O ATOM 1598 CB SER A 111 -16.036 15.114 7.033 1.00 1.00 C ATOM 1599 OG SER A 111 -16.365 16.449 6.689 1.00 1.00 O ATOM 0 H SER A 111 -16.655 15.102 4.518 1.00 1.00 H new ATOM 0 HA SER A 111 -16.739 13.112 6.685 1.00 1.00 H new ATOM 0 HB2 SER A 111 -16.098 14.988 8.114 1.00 1.00 H new ATOM 0 HB3 SER A 111 -15.005 14.905 6.746 1.00 1.00 H new ATOM 0 HG SER A 111 -17.331 16.520 6.542 1.00 1.00 H new ATOM 1605 N SER A 112 -19.075 13.478 7.370 1.00 1.00 N ATOM 1606 CA SER A 112 -20.463 13.648 7.782 1.00 1.00 C ATOM 1607 C SER A 112 -20.545 14.329 9.145 1.00 1.00 C ATOM 1608 O SER A 112 -19.581 14.328 9.910 1.00 1.00 O ATOM 1609 CB SER A 112 -21.173 12.294 7.831 1.00 1.00 C ATOM 1610 OG SER A 112 -21.818 12.011 6.602 1.00 1.00 O ATOM 0 H SER A 112 -18.666 12.580 7.629 1.00 1.00 H new ATOM 0 HA SER A 112 -20.959 14.283 7.048 1.00 1.00 H new ATOM 0 HB2 SER A 112 -20.451 11.509 8.055 1.00 1.00 H new ATOM 0 HB3 SER A 112 -21.905 12.293 8.638 1.00 1.00 H new ATOM 0 HG SER A 112 -22.263 11.140 6.659 1.00 1.00 H new ATOM 1616 N GLU A 113 -21.704 14.908 9.443 1.00 1.00 N ATOM 1617 CA GLU A 113 -21.912 15.593 10.714 1.00 1.00 C ATOM 1618 C GLU A 113 -21.702 14.640 11.886 1.00 1.00 C ATOM 1619 O GLU A 113 -22.355 13.600 11.979 1.00 1.00 O ATOM 1620 CB GLU A 113 -23.320 16.188 10.772 1.00 1.00 C ATOM 1621 CG GLU A 113 -24.420 15.179 10.480 1.00 1.00 C ATOM 1622 CD GLU A 113 -25.018 15.351 9.098 1.00 1.00 C ATOM 1623 OE1 GLU A 113 -24.247 15.357 8.114 1.00 1.00 O ATOM 1624 OE2 GLU A 113 -26.256 15.480 8.998 1.00 1.00 O ATOM 0 H GLU A 113 -22.513 14.916 8.822 1.00 1.00 H new ATOM 0 HA GLU A 113 -21.181 16.398 10.788 1.00 1.00 H new ATOM 0 HB2 GLU A 113 -23.484 16.616 11.761 1.00 1.00 H new ATOM 0 HB3 GLU A 113 -23.389 17.006 10.055 1.00 1.00 H new ATOM 0 HG2 GLU A 113 -24.017 14.171 10.574 1.00 1.00 H new ATOM 0 HG3 GLU A 113 -25.207 15.279 11.227 1.00 1.00 H new ATOM 1631 N ASP A 114 -20.787 15.002 12.779 1.00 1.00 N ATOM 1632 CA ASP A 114 -20.490 14.179 13.946 1.00 1.00 C ATOM 1633 C ASP A 114 -21.373 14.570 15.126 1.00 1.00 C ATOM 1634 O ASP A 114 -21.763 15.730 15.265 1.00 1.00 O ATOM 1635 CB ASP A 114 -19.016 14.315 14.330 1.00 1.00 C ATOM 1636 CG ASP A 114 -18.141 13.287 13.641 1.00 1.00 C ATOM 1637 OD1 ASP A 114 -18.080 12.138 14.127 1.00 1.00 O ATOM 1638 OD2 ASP A 114 -17.516 13.630 12.616 1.00 1.00 O ATOM 0 H ASP A 114 -20.238 15.860 12.717 1.00 1.00 H new ATOM 0 HA ASP A 114 -20.697 13.140 13.689 1.00 1.00 H new ATOM 0 HB2 ASP A 114 -18.667 15.315 14.073 1.00 1.00 H new ATOM 0 HB3 ASP A 114 -18.914 14.210 15.410 1.00 1.00 H new ATOM 1643 N ILE A 115 -21.674 13.598 15.980 1.00 1.00 N ATOM 1644 CA ILE A 115 -22.492 13.837 17.151 1.00 1.00 C ATOM 1645 C ILE A 115 -21.653 13.717 18.410 1.00 1.00 C ATOM 1646 O ILE A 115 -21.339 12.619 18.868 1.00 1.00 O ATOM 1647 CB ILE A 115 -23.669 12.846 17.231 1.00 1.00 C ATOM 1648 CG1 ILE A 115 -24.403 12.781 15.890 1.00 1.00 C ATOM 1649 CG2 ILE A 115 -24.624 13.247 18.345 1.00 1.00 C ATOM 1650 CD1 ILE A 115 -25.529 11.771 15.866 1.00 1.00 C ATOM 0 H ILE A 115 -21.359 12.633 15.877 1.00 1.00 H new ATOM 0 HA ILE A 115 -22.894 14.847 17.068 1.00 1.00 H new ATOM 0 HB ILE A 115 -23.275 11.855 17.456 1.00 1.00 H new ATOM 0 HG12 ILE A 115 -24.805 13.767 15.657 1.00 1.00 H new ATOM 0 HG13 ILE A 115 -23.688 12.535 15.105 1.00 1.00 H new ATOM 0 HG21 ILE A 115 -25.450 12.537 18.389 1.00 1.00 H new ATOM 0 HG22 ILE A 115 -24.093 13.246 19.297 1.00 1.00 H new ATOM 0 HG23 ILE A 115 -25.014 14.246 18.148 1.00 1.00 H new ATOM 0 HD11 ILE A 115 -26.004 11.779 14.885 1.00 1.00 H new ATOM 0 HD12 ILE A 115 -25.130 10.777 16.068 1.00 1.00 H new ATOM 0 HD13 ILE A 115 -26.265 12.028 16.628 1.00 1.00 H new ATOM 1662 N PHE A 116 -21.298 14.861 18.958 1.00 1.00 N ATOM 1663 CA PHE A 116 -20.492 14.920 20.172 1.00 1.00 C ATOM 1664 C PHE A 116 -21.329 14.578 21.400 1.00 1.00 C ATOM 1665 O PHE A 116 -20.813 14.058 22.390 1.00 1.00 O ATOM 1666 CB PHE A 116 -19.875 16.310 20.331 1.00 1.00 C ATOM 1667 CG PHE A 116 -19.084 16.757 19.135 1.00 1.00 C ATOM 1668 CD1 PHE A 116 -18.162 15.910 18.542 1.00 1.00 C ATOM 1669 CD2 PHE A 116 -19.264 18.024 18.604 1.00 1.00 C ATOM 1670 CE1 PHE A 116 -17.433 16.319 17.441 1.00 1.00 C ATOM 1671 CE2 PHE A 116 -18.538 18.439 17.503 1.00 1.00 C ATOM 1672 CZ PHE A 116 -17.621 17.585 16.921 1.00 1.00 C ATOM 0 H PHE A 116 -21.555 15.773 18.582 1.00 1.00 H new ATOM 0 HA PHE A 116 -19.694 14.183 20.084 1.00 1.00 H new ATOM 0 HB2 PHE A 116 -20.670 17.032 20.521 1.00 1.00 H new ATOM 0 HB3 PHE A 116 -19.226 16.312 21.207 1.00 1.00 H new ATOM 0 HD1 PHE A 116 -18.011 14.919 18.944 1.00 1.00 H new ATOM 0 HD2 PHE A 116 -19.980 18.695 19.055 1.00 1.00 H new ATOM 0 HE1 PHE A 116 -16.717 15.649 16.988 1.00 1.00 H new ATOM 0 HE2 PHE A 116 -18.687 19.429 17.099 1.00 1.00 H new ATOM 0 HZ PHE A 116 -17.052 17.907 16.061 1.00 1.00 H new ATOM 1682 N GLY A 117 -22.623 14.873 21.331 1.00 1.00 N ATOM 1683 CA GLY A 117 -23.510 14.589 22.444 1.00 1.00 C ATOM 1684 C GLY A 117 -24.057 15.850 23.085 1.00 1.00 C ATOM 1685 O GLY A 117 -24.335 15.874 24.284 1.00 1.00 O ATOM 0 H GLY A 117 -23.073 15.304 20.524 1.00 1.00 H new ATOM 0 HA2 GLY A 117 -24.339 13.973 22.096 1.00 1.00 H new ATOM 0 HA3 GLY A 117 -22.973 14.007 23.193 1.00 1.00 H new ATOM 1689 N ASN A 118 -24.211 16.899 22.285 1.00 1.00 N ATOM 1690 CA ASN A 118 -24.728 18.170 22.781 1.00 1.00 C ATOM 1691 C ASN A 118 -25.978 18.585 22.012 1.00 1.00 C ATOM 1692 O ASN A 118 -25.889 19.212 20.956 1.00 1.00 O ATOM 1693 CB ASN A 118 -23.660 19.258 22.667 1.00 1.00 C ATOM 1694 CG ASN A 118 -23.867 20.378 23.668 1.00 1.00 C ATOM 1695 OD1 ASN A 118 -24.364 21.450 23.323 1.00 1.00 O ATOM 1696 ND2 ASN A 118 -23.485 20.134 24.916 1.00 1.00 N ATOM 0 H ASN A 118 -23.985 16.895 21.290 1.00 1.00 H new ATOM 0 HA ASN A 118 -24.994 18.041 23.830 1.00 1.00 H new ATOM 0 HB2 ASN A 118 -22.676 18.815 22.820 1.00 1.00 H new ATOM 0 HB3 ASN A 118 -23.671 19.670 21.658 1.00 1.00 H new ATOM 0 HD21 ASN A 118 -23.599 20.850 25.633 1.00 1.00 H new ATOM 0 HD22 ASN A 118 -23.078 19.231 25.157 1.00 1.00 H new ATOM 1703 N VAL A 119 -27.142 18.232 22.548 1.00 1.00 N ATOM 1704 CA VAL A 119 -28.409 18.569 21.912 1.00 1.00 C ATOM 1705 C VAL A 119 -29.083 19.742 22.616 1.00 1.00 C ATOM 1706 O VAL A 119 -29.176 20.839 22.065 1.00 1.00 O ATOM 1707 CB VAL A 119 -29.372 17.367 21.908 1.00 1.00 C ATOM 1708 CG1 VAL A 119 -28.928 16.330 20.888 1.00 1.00 C ATOM 1709 CG2 VAL A 119 -29.468 16.754 23.297 1.00 1.00 C ATOM 0 H VAL A 119 -27.233 17.713 23.421 1.00 1.00 H new ATOM 0 HA VAL A 119 -28.182 18.848 20.883 1.00 1.00 H new ATOM 0 HB VAL A 119 -30.363 17.720 21.624 1.00 1.00 H new ATOM 0 HG11 VAL A 119 -29.621 15.488 20.900 1.00 1.00 H new ATOM 0 HG12 VAL A 119 -28.918 16.778 19.894 1.00 1.00 H new ATOM 0 HG13 VAL A 119 -27.927 15.979 21.138 1.00 1.00 H new ATOM 0 HG21 VAL A 119 -30.153 15.906 23.274 1.00 1.00 H new ATOM 0 HG22 VAL A 119 -28.482 16.415 23.614 1.00 1.00 H new ATOM 0 HG23 VAL A 119 -29.838 17.501 23.999 1.00 1.00 H new TER 1719 VAL A 119 HETATM 1720 C1 IMY A 120 3.028 -8.993 -10.084 1.00 1.00 C HETATM 1721 N2 IMY A 120 3.510 -7.773 -9.894 1.00 1.00 N HETATM 1722 C3 IMY A 120 2.537 -6.994 -9.067 1.00 1.00 C HETATM 1723 C4 IMY A 120 1.217 -7.760 -9.428 1.00 1.00 C HETATM 1724 N5 IMY A 120 1.740 -9.092 -9.752 1.00 1.00 N HETATM 1725 C13 IMY A 120 2.894 -7.000 -7.588 1.00 1.00 C HETATM 1726 C14 IMY A 120 2.413 -5.966 -6.764 1.00 1.00 C HETATM 1727 C15 IMY A 120 2.625 -5.992 -5.382 1.00 1.00 C HETATM 1728 C16 IMY A 120 3.291 -7.056 -4.800 1.00 1.00 C HETATM 1729 C17 IMY A 120 3.809 -8.061 -5.600 1.00 1.00 C HETATM 1730 C18 IMY A 120 3.620 -8.038 -6.979 1.00 1.00 C HETATM 1731 CL16 IMY A 120 3.486 -7.128 -3.095 1.00 1.00 CL HETATM 1732 C20 IMY A 120 -1.049 -6.951 -8.677 1.00 1.00 C HETATM 1733 C21 IMY A 120 -2.148 -6.970 -7.818 1.00 1.00 C HETATM 1734 C22 IMY A 120 -2.166 -7.843 -6.737 1.00 1.00 C HETATM 1735 C23 IMY A 120 -1.097 -8.702 -6.514 1.00 1.00 C HETATM 1736 C24 IMY A 120 -0.025 -8.724 -7.407 1.00 1.00 C HETATM 1737 C19 IMY A 120 0.037 -7.828 -8.487 1.00 1.00 C HETATM 1738 CL22 IMY A 120 -3.518 -7.874 -5.680 1.00 1.00 CL HETATM 1739 C28 IMY A 120 5.627 -11.651 -10.933 1.00 1.00 C HETATM 1740 C29 IMY A 120 5.099 -10.401 -10.554 1.00 1.00 C HETATM 1741 C34 IMY A 120 3.702 -10.202 -10.585 1.00 1.00 C HETATM 1742 C25 IMY A 120 2.879 -11.268 -11.016 1.00 1.00 C HETATM 1743 C26 IMY A 120 3.415 -12.499 -11.387 1.00 1.00 C HETATM 1744 C27 IMY A 120 4.794 -12.692 -11.338 1.00 1.00 C HETATM 1745 O3 IMY A 120 5.884 -9.336 -10.123 1.00 1.00 O HETATM 1746 C31 IMY A 120 7.225 -9.597 -9.639 1.00 1.00 C HETATM 1747 C32 IMY A 120 7.813 -8.363 -8.954 1.00 1.00 C HETATM 1748 C33 IMY A 120 7.123 -10.731 -8.626 1.00 1.00 C HETATM 1749 O2 IMY A 120 5.447 -13.880 -11.629 1.00 1.00 O HETATM 1750 C30 IMY A 120 4.698 -14.848 -12.375 1.00 1.00 C HETATM 0 H333 IMY A 120 6.471 -10.429 -7.806 1.00 1.00 H new HETATM 0 H332 IMY A 120 6.711 -11.616 -9.111 1.00 1.00 H new HETATM 0 H331 IMY A 120 8.114 -10.960 -8.235 1.00 1.00 H new HETATM 0 H323 IMY A 120 7.854 -7.537 -9.664 1.00 1.00 H new HETATM 0 H322 IMY A 120 7.186 -8.083 -8.108 1.00 1.00 H new HETATM 0 H321 IMY A 120 8.819 -8.588 -8.601 1.00 1.00 H new HETATM 0 H302 IMY A 120 3.804 -15.126 -11.816 1.00 1.00 H new HETATM 0 H301 IMY A 120 4.408 -14.422 -13.335 1.00 1.00 H new HETATM 0 H4 IMY A 120 0.705 -7.190 -10.204 1.00 1.00 H new HETATM 0 H31 IMY A 120 7.876 -9.857 -10.473 1.00 1.00 H new HETATM 0 H30 IMY A 120 5.312 -15.733 -12.541 1.00 1.00 H new HETATM 0 H3 IMY A 120 2.491 -5.923 -9.267 1.00 1.00 H new HETATM 0 H28 IMY A 120 6.706 -11.806 -10.909 1.00 1.00 H new HETATM 0 H26 IMY A 120 2.760 -13.306 -11.714 1.00 1.00 H new HETATM 0 H25 IMY A 120 1.800 -11.123 -11.059 1.00 1.00 H new HETATM 0 H24 IMY A 120 0.777 -9.448 -7.264 1.00 1.00 H new HETATM 0 H23 IMY A 120 -1.096 -9.357 -5.643 1.00 1.00 H new HETATM 0 H21 IMY A 120 -2.991 -6.302 -7.994 1.00 1.00 H new HETATM 0 H20 IMY A 120 -1.030 -6.246 -9.508 1.00 1.00 H new HETATM 0 H18 IMY A 120 4.040 -8.834 -7.594 1.00 1.00 H new HETATM 0 H17 IMY A 120 4.370 -8.878 -5.146 1.00 1.00 H new HETATM 0 H15 IMY A 120 2.265 -5.172 -4.761 1.00 1.00 H new HETATM 0 H14 IMY A 120 1.868 -5.134 -7.209 1.00 1.00 H new