USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 660 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 THR OG1 : rot -152:sc= 1.95 USER MOD Set 1.2: A 83 CYS SG : rot 55:sc= -0.565 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.513 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN :FLIP amide:sc= -0.276 F(o=-1.8!,f=-0.28) USER MOD Single : A 23 SER OG : rot 38:sc= -1.14! USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 26 CYS SG : rot -176:sc= -1.76 USER MOD Single : A 29 SER OG : rot 180:sc= -0.021 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.29) USER MOD Single : A 46 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.6) USER MOD Single : A 48 ASN : amide:sc= -3.5! C(o=-3.5!,f=-4!) USER MOD Single : A 50 MET CE :methyl 157:sc= -0.103 (180deg=-0.74) USER MOD Single : A 51 ASN : amide:sc= -0.192 K(o=-0.19,f=-2.8!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.281 USER MOD Single : A 61 HIS : no HD1:sc= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 49:sc= -0.467 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.347 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0619) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N GLU A 4 59.965 -10.313 14.904 1.00 0.00 N ATOM 45 CA GLU A 4 60.860 -10.433 13.754 1.00 0.00 C ATOM 46 C GLU A 4 60.968 -9.097 13.027 1.00 0.00 C ATOM 47 O GLU A 4 60.004 -8.331 12.971 1.00 0.00 O ATOM 48 CB GLU A 4 60.333 -11.500 12.785 1.00 0.00 C ATOM 49 CG GLU A 4 61.282 -11.639 11.592 1.00 0.00 C ATOM 50 CD GLU A 4 60.826 -12.791 10.703 1.00 0.00 C ATOM 51 OE1 GLU A 4 60.021 -13.585 11.162 1.00 0.00 O ATOM 52 OE2 GLU A 4 61.289 -12.863 9.576 1.00 0.00 O1- ATOM 0 HA GLU A 4 61.847 -10.726 14.113 1.00 0.00 H new ATOM 0 HB2 GLU A 4 60.240 -12.456 13.300 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.337 -11.227 12.438 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.301 -10.711 11.020 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.298 -11.818 11.943 1.00 0.00 H new ATOM 59 N VAL A 5 62.143 -8.821 12.471 1.00 0.00 N ATOM 60 CA VAL A 5 62.353 -7.571 11.751 1.00 0.00 C ATOM 61 C VAL A 5 61.413 -7.501 10.555 1.00 0.00 C ATOM 62 O VAL A 5 61.438 -8.377 9.691 1.00 0.00 O ATOM 63 CB VAL A 5 63.816 -7.476 11.279 1.00 0.00 C ATOM 64 CG1 VAL A 5 64.054 -8.393 10.070 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.135 -6.029 10.892 1.00 0.00 C ATOM 0 H VAL A 5 62.955 -9.438 12.504 1.00 0.00 H new ATOM 0 HA VAL A 5 62.143 -6.735 12.418 1.00 0.00 H new ATOM 0 HB VAL A 5 64.467 -7.794 12.093 1.00 0.00 H new ATOM 0 HG11 VAL A 5 65.093 -8.312 9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 5 63.839 -9.425 10.348 1.00 0.00 H new ATOM 0 HG13 VAL A 5 63.399 -8.094 9.252 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.170 -5.962 10.558 1.00 0.00 H new ATOM 0 HG22 VAL A 5 63.472 -5.713 10.086 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.990 -5.381 11.756 1.00 0.00 H new ATOM 75 N THR A 6 60.582 -6.468 10.499 1.00 0.00 N ATOM 76 CA THR A 6 59.658 -6.353 9.370 1.00 0.00 C ATOM 77 C THR A 6 60.452 -6.078 8.104 1.00 0.00 C ATOM 78 O THR A 6 61.323 -5.214 8.102 1.00 0.00 O ATOM 79 CB THR A 6 58.650 -5.229 9.604 1.00 0.00 C ATOM 80 OG1 THR A 6 57.797 -5.582 10.683 1.00 0.00 O ATOM 81 CG2 THR A 6 57.808 -5.010 8.345 1.00 0.00 C ATOM 0 H THR A 6 60.525 -5.722 11.192 1.00 0.00 H new ATOM 0 HA THR A 6 59.107 -7.288 9.268 1.00 0.00 H new ATOM 0 HB THR A 6 59.187 -4.310 9.840 1.00 0.00 H new ATOM 0 HG1 THR A 6 57.150 -4.862 10.837 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.092 -4.207 8.521 1.00 0.00 H new ATOM 0 HG22 THR A 6 58.460 -4.740 7.514 1.00 0.00 H new ATOM 0 HG23 THR A 6 57.272 -5.927 8.102 1.00 0.00 H new ATOM 89 N ILE A 7 60.171 -6.827 7.032 1.00 0.00 N ATOM 90 CA ILE A 7 60.900 -6.653 5.770 1.00 0.00 C ATOM 91 C ILE A 7 60.023 -6.049 4.681 1.00 0.00 C ATOM 92 O ILE A 7 59.223 -6.725 4.038 1.00 0.00 O ATOM 93 CB ILE A 7 61.465 -8.007 5.332 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.402 -7.834 4.123 1.00 0.00 C ATOM 95 CG2 ILE A 7 60.333 -8.986 4.977 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.689 -7.102 4.538 1.00 0.00 C ATOM 0 H ILE A 7 59.453 -7.551 7.011 1.00 0.00 H new ATOM 0 HA ILE A 7 61.716 -5.949 5.934 1.00 0.00 H new ATOM 0 HB ILE A 7 62.032 -8.419 6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.650 -8.810 3.706 1.00 0.00 H new ATOM 0 HG13 ILE A 7 61.894 -7.272 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 7 60.760 -9.940 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 7 59.697 -9.138 5.849 1.00 0.00 H new ATOM 0 HG23 ILE A 7 59.739 -8.575 4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.339 -6.989 3.670 1.00 0.00 H new ATOM 0 HD12 ILE A 7 63.437 -6.118 4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 7 64.205 -7.680 5.305 1.00 0.00 H new ATOM 108 N LEU A 8 60.215 -4.754 4.478 1.00 0.00 N ATOM 109 CA LEU A 8 59.488 -3.999 3.451 1.00 0.00 C ATOM 110 C LEU A 8 60.478 -3.199 2.607 1.00 0.00 C ATOM 111 O LEU A 8 60.686 -2.009 2.847 1.00 0.00 O ATOM 112 CB LEU A 8 58.473 -3.046 4.097 1.00 0.00 C ATOM 113 CG LEU A 8 57.345 -3.854 4.763 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.474 -2.916 5.608 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.476 -4.551 3.691 1.00 0.00 C ATOM 0 H LEU A 8 60.876 -4.192 5.015 1.00 0.00 H new ATOM 0 HA LEU A 8 58.949 -4.703 2.817 1.00 0.00 H new ATOM 0 HB2 LEU A 8 58.970 -2.420 4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.057 -2.378 3.343 1.00 0.00 H new ATOM 0 HG LEU A 8 57.787 -4.617 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.675 -3.488 6.080 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.086 -2.445 6.377 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.041 -2.147 4.968 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.683 -5.118 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.035 -3.800 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.097 -5.227 3.103 1.00 0.00 H new ATOM 127 N GLU A 9 61.092 -3.859 1.624 1.00 0.00 N ATOM 128 CA GLU A 9 62.067 -3.202 0.745 1.00 0.00 C ATOM 129 C GLU A 9 61.601 -3.258 -0.711 1.00 0.00 C ATOM 130 O GLU A 9 61.987 -4.161 -1.453 1.00 0.00 O ATOM 131 CB GLU A 9 63.431 -3.889 0.862 1.00 0.00 C ATOM 132 CG GLU A 9 64.431 -3.202 -0.083 1.00 0.00 C ATOM 133 CD GLU A 9 65.868 -3.478 0.355 1.00 0.00 C ATOM 134 OE1 GLU A 9 66.763 -3.219 -0.432 1.00 0.00 O ATOM 135 OE2 GLU A 9 66.056 -3.941 1.469 1.00 0.00 O1- ATOM 0 H GLU A 9 60.934 -4.845 1.415 1.00 0.00 H new ATOM 0 HA GLU A 9 62.154 -2.160 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.790 -3.837 1.890 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.341 -4.945 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 9 64.281 -3.561 -1.101 1.00 0.00 H new ATOM 0 HG3 GLU A 9 64.249 -2.127 -0.093 1.00 0.00 H new ATOM 142 N PRO A 10 60.796 -2.312 -1.139 1.00 0.00 N ATOM 143 CA PRO A 10 60.292 -2.270 -2.540 1.00 0.00 C ATOM 144 C PRO A 10 61.402 -1.885 -3.522 1.00 0.00 C ATOM 145 O PRO A 10 61.217 -1.942 -4.739 1.00 0.00 O ATOM 146 CB PRO A 10 59.143 -1.231 -2.522 1.00 0.00 C ATOM 147 CG PRO A 10 59.031 -0.729 -1.102 1.00 0.00 C ATOM 148 CD PRO A 10 60.279 -1.195 -0.342 1.00 0.00 C ATOM 0 HA PRO A 10 59.941 -3.245 -2.879 1.00 0.00 H new ATOM 0 HB2 PRO A 10 59.354 -0.410 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 10 58.207 -1.685 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 10 58.957 0.358 -1.086 1.00 0.00 H new ATOM 0 HG3 PRO A 10 58.129 -1.117 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 10 61.014 -0.395 -0.256 1.00 0.00 H new ATOM 0 HD3 PRO A 10 60.032 -1.511 0.672 1.00 0.00 H new ATOM 156 N LEU A 11 62.555 -1.503 -2.982 1.00 0.00 N ATOM 157 CA LEU A 11 63.689 -1.121 -3.814 1.00 0.00 C ATOM 158 C LEU A 11 64.166 -2.325 -4.626 1.00 0.00 C ATOM 159 O LEU A 11 65.193 -2.929 -4.316 1.00 0.00 O ATOM 160 CB LEU A 11 64.837 -0.630 -2.921 1.00 0.00 C ATOM 161 CG LEU A 11 64.418 0.636 -2.150 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.343 0.827 -0.944 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.542 1.875 -3.048 1.00 0.00 C ATOM 0 H LEU A 11 62.728 -1.450 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 11 63.382 -0.325 -4.492 1.00 0.00 H new ATOM 0 HB2 LEU A 11 65.120 -1.414 -2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.715 -0.417 -3.531 1.00 0.00 H new ATOM 0 HG LEU A 11 63.384 0.517 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.048 1.723 -0.397 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.269 -0.040 -0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.372 0.934 -1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.242 2.761 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 11 65.576 1.985 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.896 1.760 -3.918 1.00 0.00 H new ATOM 175 N GLN A 12 63.410 -2.673 -5.665 1.00 0.00 N ATOM 176 CA GLN A 12 63.769 -3.811 -6.505 1.00 0.00 C ATOM 177 C GLN A 12 64.908 -3.456 -7.453 1.00 0.00 C ATOM 178 O GLN A 12 66.012 -3.983 -7.336 1.00 0.00 O ATOM 179 CB GLN A 12 62.558 -4.267 -7.323 1.00 0.00 C ATOM 180 CG GLN A 12 61.511 -4.892 -6.397 1.00 0.00 C ATOM 181 CD GLN A 12 60.269 -5.269 -7.201 1.00 0.00 C ATOM 182 OE1 GLN A 12 60.258 -5.137 -8.426 1.00 0.00 O ATOM 183 NE2 GLN A 12 59.218 -5.732 -6.583 1.00 0.00 N ATOM 0 H GLN A 12 62.556 -2.190 -5.942 1.00 0.00 H new ATOM 0 HA GLN A 12 64.096 -4.618 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 12 62.127 -3.419 -7.854 1.00 0.00 H new ATOM 0 HB3 GLN A 12 62.868 -4.991 -8.077 1.00 0.00 H new ATOM 0 HG2 GLN A 12 61.923 -5.776 -5.911 1.00 0.00 H new ATOM 0 HG3 GLN A 12 61.245 -4.189 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 12 59.229 -5.840 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 12 58.385 -5.986 -7.114 1.00 0.00 H new ATOM 192 N ASP A 13 64.625 -2.570 -8.405 1.00 0.00 N ATOM 193 CA ASP A 13 65.625 -2.167 -9.386 1.00 0.00 C ATOM 194 C ASP A 13 65.274 -0.807 -9.979 1.00 0.00 C ATOM 195 O ASP A 13 64.158 -0.606 -10.457 1.00 0.00 O ATOM 196 CB ASP A 13 65.687 -3.205 -10.509 1.00 0.00 C ATOM 197 CG ASP A 13 66.079 -4.564 -9.937 1.00 0.00 C ATOM 198 OD1 ASP A 13 65.335 -5.509 -10.146 1.00 0.00 O ATOM 199 OD2 ASP A 13 67.115 -4.641 -9.301 1.00 0.00 O1- ATOM 0 H ASP A 13 63.716 -2.120 -8.516 1.00 0.00 H new ATOM 0 HA ASP A 13 66.593 -2.098 -8.889 1.00 0.00 H new ATOM 0 HB2 ASP A 13 64.719 -3.275 -11.006 1.00 0.00 H new ATOM 0 HB3 ASP A 13 66.411 -2.895 -11.263 1.00 0.00 H new ATOM 204 N VAL A 14 66.226 0.129 -9.943 1.00 0.00 N ATOM 205 CA VAL A 14 65.988 1.476 -10.484 1.00 0.00 C ATOM 206 C VAL A 14 67.094 1.890 -11.442 1.00 0.00 C ATOM 207 O VAL A 14 68.217 1.392 -11.377 1.00 0.00 O ATOM 208 CB VAL A 14 65.922 2.500 -9.352 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.674 2.260 -8.505 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.169 2.363 -8.477 1.00 0.00 C ATOM 0 H VAL A 14 67.157 -0.014 -9.552 1.00 0.00 H new ATOM 0 HA VAL A 14 65.040 1.446 -11.021 1.00 0.00 H new ATOM 0 HB VAL A 14 65.877 3.504 -9.774 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.634 2.994 -7.700 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.786 2.358 -9.130 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.710 1.257 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.127 3.092 -7.667 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.211 1.357 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.059 2.542 -9.081 1.00 0.00 H new ATOM 220 N GLN A 15 66.757 2.830 -12.326 1.00 0.00 N ATOM 221 CA GLN A 15 67.708 3.352 -13.304 1.00 0.00 C ATOM 222 C GLN A 15 67.857 4.852 -13.103 1.00 0.00 C ATOM 223 O GLN A 15 66.867 5.578 -13.020 1.00 0.00 O ATOM 224 CB GLN A 15 67.210 3.080 -14.721 1.00 0.00 C ATOM 225 CG GLN A 15 67.154 1.572 -14.965 1.00 0.00 C ATOM 226 CD GLN A 15 66.605 1.302 -16.362 1.00 0.00 C ATOM 227 OE1 GLN A 15 65.592 1.882 -16.752 1.00 0.00 O ATOM 228 NE2 GLN A 15 67.218 0.459 -17.145 1.00 0.00 N ATOM 0 H GLN A 15 65.828 3.246 -12.383 1.00 0.00 H new ATOM 0 HA GLN A 15 68.670 2.859 -13.166 1.00 0.00 H new ATOM 0 HB2 GLN A 15 66.222 3.518 -14.860 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.873 3.552 -15.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 68.149 1.140 -14.864 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.522 1.095 -14.216 1.00 0.00 H new ATOM 0 HE21 GLN A 15 68.057 -0.021 -16.820 1.00 0.00 H new ATOM 0 HE22 GLN A 15 66.858 0.279 -18.082 1.00 0.00 H new ATOM 237 N LEU A 16 69.099 5.309 -13.003 1.00 0.00 N ATOM 238 CA LEU A 16 69.382 6.728 -12.790 1.00 0.00 C ATOM 239 C LEU A 16 70.195 7.303 -13.943 1.00 0.00 C ATOM 240 O LEU A 16 71.239 6.762 -14.301 1.00 0.00 O ATOM 241 CB LEU A 16 70.200 6.891 -11.512 1.00 0.00 C ATOM 242 CG LEU A 16 69.473 6.256 -10.325 1.00 0.00 C ATOM 243 CD1 LEU A 16 70.344 6.414 -9.076 1.00 0.00 C ATOM 244 CD2 LEU A 16 68.117 6.948 -10.106 1.00 0.00 C ATOM 0 H LEU A 16 69.929 4.719 -13.066 1.00 0.00 H new ATOM 0 HA LEU A 16 68.431 7.256 -12.719 1.00 0.00 H new ATOM 0 HB2 LEU A 16 71.178 6.426 -11.638 1.00 0.00 H new ATOM 0 HB3 LEU A 16 70.373 7.949 -11.316 1.00 0.00 H new ATOM 0 HG LEU A 16 69.296 5.199 -10.524 1.00 0.00 H new ATOM 0 HD11 LEU A 16 69.838 5.966 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 71.301 5.916 -9.234 1.00 0.00 H new ATOM 0 HD13 LEU A 16 70.514 7.473 -8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 16 67.607 6.489 -9.259 1.00 0.00 H new ATOM 0 HD22 LEU A 16 68.277 8.007 -9.903 1.00 0.00 H new ATOM 0 HD23 LEU A 16 67.504 6.839 -11.001 1.00 0.00 H new ATOM 256 N SER A 17 69.740 8.424 -14.501 1.00 0.00 N ATOM 257 CA SER A 17 70.487 9.063 -15.577 1.00 0.00 C ATOM 258 C SER A 17 71.650 9.840 -14.968 1.00 0.00 C ATOM 259 O SER A 17 71.552 10.333 -13.845 1.00 0.00 O ATOM 260 CB SER A 17 69.591 10.009 -16.374 1.00 0.00 C ATOM 261 OG SER A 17 68.359 9.358 -16.659 1.00 0.00 O ATOM 0 H SER A 17 68.878 8.898 -14.232 1.00 0.00 H new ATOM 0 HA SER A 17 70.860 8.299 -16.259 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.411 10.922 -15.807 1.00 0.00 H new ATOM 0 HB3 SER A 17 70.084 10.302 -17.301 1.00 0.00 H new ATOM 0 HG SER A 17 67.780 9.962 -17.169 1.00 0.00 H new ATOM 267 N GLU A 18 72.755 9.936 -15.697 1.00 0.00 N ATOM 268 CA GLU A 18 73.923 10.648 -15.187 1.00 0.00 C ATOM 269 C GLU A 18 73.613 12.130 -14.982 1.00 0.00 C ATOM 270 O GLU A 18 73.018 12.776 -15.846 1.00 0.00 O ATOM 271 CB GLU A 18 75.094 10.480 -16.157 1.00 0.00 C ATOM 272 CG GLU A 18 76.336 11.172 -15.594 1.00 0.00 C ATOM 273 CD GLU A 18 77.535 10.890 -16.493 1.00 0.00 C ATOM 274 OE1 GLU A 18 77.322 10.412 -17.596 1.00 0.00 O ATOM 275 OE2 GLU A 18 78.648 11.148 -16.064 1.00 0.00 O1- ATOM 0 H GLU A 18 72.868 9.537 -16.629 1.00 0.00 H new ATOM 0 HA GLU A 18 74.193 10.224 -14.220 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.297 9.421 -16.316 1.00 0.00 H new ATOM 0 HB3 GLU A 18 74.838 10.905 -17.128 1.00 0.00 H new ATOM 0 HG2 GLU A 18 76.166 12.246 -15.526 1.00 0.00 H new ATOM 0 HG3 GLU A 18 76.536 10.816 -14.583 1.00 0.00 H new ATOM 282 N GLY A 19 74.023 12.661 -13.827 1.00 0.00 N ATOM 283 CA GLY A 19 73.786 14.070 -13.502 1.00 0.00 C ATOM 284 C GLY A 19 72.526 14.230 -12.656 1.00 0.00 C ATOM 285 O GLY A 19 72.181 15.338 -12.245 1.00 0.00 O ATOM 0 H GLY A 19 74.519 12.139 -13.104 1.00 0.00 H new ATOM 0 HA2 GLY A 19 74.644 14.472 -12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 19 73.687 14.648 -14.421 1.00 0.00 H new ATOM 289 N GLN A 20 71.844 13.115 -12.395 1.00 0.00 N ATOM 290 CA GLN A 20 70.619 13.133 -11.591 1.00 0.00 C ATOM 291 C GLN A 20 70.837 12.425 -10.262 1.00 0.00 C ATOM 292 O GLN A 20 71.408 11.336 -10.210 1.00 0.00 O ATOM 293 CB GLN A 20 69.484 12.445 -12.348 1.00 0.00 C ATOM 294 CG GLN A 20 69.053 13.323 -13.520 1.00 0.00 C ATOM 295 CD GLN A 20 67.950 12.632 -14.312 1.00 0.00 C ATOM 296 OE1 GLN A 20 67.631 11.400 -14.027 1.00 0.00 O flip ATOM 297 NE2 GLN A 20 67.360 13.232 -15.211 1.00 0.00 N flip ATOM 0 H GLN A 20 72.117 12.190 -12.727 1.00 0.00 H new ATOM 0 HA GLN A 20 70.354 14.173 -11.400 1.00 0.00 H new ATOM 0 HB2 GLN A 20 69.812 11.471 -12.710 1.00 0.00 H new ATOM 0 HB3 GLN A 20 68.640 12.270 -11.681 1.00 0.00 H new ATOM 0 HG2 GLN A 20 68.699 14.286 -13.152 1.00 0.00 H new ATOM 0 HG3 GLN A 20 69.906 13.523 -14.168 1.00 0.00 H new ATOM 0 HE21 GLN A 20 67.612 14.196 -15.432 1.00 0.00 H new ATOM 0 HE22 GLN A 20 66.620 12.765 -15.735 1.00 0.00 H new ATOM 306 N ASP A 21 70.369 13.050 -9.189 1.00 0.00 N ATOM 307 CA ASP A 21 70.505 12.477 -7.859 1.00 0.00 C ATOM 308 C ASP A 21 69.389 11.476 -7.604 1.00 0.00 C ATOM 309 O ASP A 21 68.421 11.404 -8.359 1.00 0.00 O ATOM 310 CB ASP A 21 70.458 13.584 -6.807 1.00 0.00 C ATOM 311 CG ASP A 21 71.683 14.480 -6.952 1.00 0.00 C ATOM 312 OD1 ASP A 21 72.607 14.078 -7.639 1.00 0.00 O ATOM 313 OD2 ASP A 21 71.677 15.554 -6.374 1.00 0.00 O1- ATOM 0 H ASP A 21 69.893 13.952 -9.215 1.00 0.00 H new ATOM 0 HA ASP A 21 71.464 11.963 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP A 21 69.548 14.173 -6.925 1.00 0.00 H new ATOM 0 HB3 ASP A 21 70.429 13.149 -5.808 1.00 0.00 H new ATOM 318 N ALA A 22 69.537 10.701 -6.541 1.00 0.00 N ATOM 319 CA ALA A 22 68.543 9.696 -6.195 1.00 0.00 C ATOM 320 C ALA A 22 68.674 9.309 -4.727 1.00 0.00 C ATOM 321 O ALA A 22 69.590 9.758 -4.038 1.00 0.00 O ATOM 322 CB ALA A 22 68.733 8.460 -7.071 1.00 0.00 C ATOM 0 H ALA A 22 70.333 10.748 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 22 67.549 10.111 -6.364 1.00 0.00 H new ATOM 0 HB1 ALA A 22 67.987 7.710 -6.809 1.00 0.00 H new ATOM 0 HB2 ALA A 22 68.618 8.736 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 22 69.731 8.051 -6.911 1.00 0.00 H new ATOM 328 N SER A 23 67.756 8.476 -4.256 1.00 0.00 N ATOM 329 CA SER A 23 67.784 8.038 -2.866 1.00 0.00 C ATOM 330 C SER A 23 67.044 6.717 -2.697 1.00 0.00 C ATOM 331 O SER A 23 66.069 6.441 -3.396 1.00 0.00 O ATOM 332 CB SER A 23 67.136 9.093 -1.971 1.00 0.00 C ATOM 333 OG SER A 23 67.276 8.700 -0.614 1.00 0.00 O ATOM 0 H SER A 23 66.989 8.093 -4.809 1.00 0.00 H new ATOM 0 HA SER A 23 68.826 7.899 -2.578 1.00 0.00 H new ATOM 0 HB2 SER A 23 67.606 10.063 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.081 9.204 -2.223 1.00 0.00 H new ATOM 0 HG SER A 23 68.152 8.281 -0.483 1.00 0.00 H new ATOM 339 N PHE A 24 67.504 5.917 -1.742 1.00 0.00 N ATOM 340 CA PHE A 24 66.880 4.628 -1.444 1.00 0.00 C ATOM 341 C PHE A 24 66.043 4.779 -0.174 1.00 0.00 C ATOM 342 O PHE A 24 66.453 5.463 0.763 1.00 0.00 O ATOM 343 CB PHE A 24 67.971 3.555 -1.216 1.00 0.00 C ATOM 344 CG PHE A 24 68.358 2.858 -2.511 1.00 0.00 C ATOM 345 CD1 PHE A 24 68.319 3.530 -3.744 1.00 0.00 C ATOM 346 CD2 PHE A 24 68.763 1.517 -2.464 1.00 0.00 C ATOM 347 CE1 PHE A 24 68.687 2.854 -4.921 1.00 0.00 C ATOM 348 CE2 PHE A 24 69.127 0.847 -3.638 1.00 0.00 C ATOM 349 CZ PHE A 24 69.090 1.513 -4.865 1.00 0.00 C ATOM 0 H PHE A 24 68.310 6.137 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 24 66.251 4.319 -2.279 1.00 0.00 H new ATOM 0 HB2 PHE A 24 68.853 4.021 -0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 24 67.610 2.817 -0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 24 68.007 4.563 -3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 24 68.794 0.998 -1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 24 68.659 3.369 -5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 24 69.437 -0.187 -3.595 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.372 0.995 -5.770 1.00 0.00 H new ATOM 359 N GLN A 25 64.874 4.141 -0.142 1.00 0.00 N ATOM 360 CA GLN A 25 63.993 4.221 1.029 1.00 0.00 C ATOM 361 C GLN A 25 63.570 2.826 1.471 1.00 0.00 C ATOM 362 O GLN A 25 62.938 2.084 0.718 1.00 0.00 O ATOM 363 CB GLN A 25 62.755 5.068 0.705 1.00 0.00 C ATOM 364 CG GLN A 25 62.283 4.784 -0.721 1.00 0.00 C ATOM 365 CD GLN A 25 61.027 5.600 -1.015 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.155 5.727 -0.157 1.00 0.00 O ATOM 367 NE2 GLN A 25 60.885 6.172 -2.182 1.00 0.00 N ATOM 0 H GLN A 25 64.514 3.567 -0.905 1.00 0.00 H new ATOM 0 HA GLN A 25 64.541 4.695 1.843 1.00 0.00 H new ATOM 0 HB2 GLN A 25 61.956 4.844 1.412 1.00 0.00 H new ATOM 0 HB3 GLN A 25 62.990 6.127 0.815 1.00 0.00 H new ATOM 0 HG2 GLN A 25 63.069 5.038 -1.433 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.075 3.721 -0.841 1.00 0.00 H new ATOM 0 HE21 GLN A 25 61.609 6.066 -2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 25 60.051 6.724 -2.381 1.00 0.00 H new ATOM 376 N CYS A 26 63.932 2.478 2.705 1.00 0.00 N ATOM 377 CA CYS A 26 63.604 1.169 3.272 1.00 0.00 C ATOM 378 C CYS A 26 62.892 1.328 4.611 1.00 0.00 C ATOM 379 O CYS A 26 62.926 2.397 5.221 1.00 0.00 O ATOM 380 CB CYS A 26 64.891 0.355 3.465 1.00 0.00 C ATOM 381 SG CYS A 26 66.051 0.733 2.128 1.00 0.00 S ATOM 0 H CYS A 26 64.455 3.087 3.334 1.00 0.00 H new ATOM 0 HA CYS A 26 62.939 0.646 2.584 1.00 0.00 H new ATOM 0 HB2 CYS A 26 65.342 0.590 4.429 1.00 0.00 H new ATOM 0 HB3 CYS A 26 64.662 -0.711 3.472 1.00 0.00 H new ATOM 0 HG CYS A 26 67.107 -0.016 2.245 1.00 0.00 H new ATOM 387 N ARG A 27 62.256 0.254 5.063 1.00 0.00 N ATOM 388 CA ARG A 27 61.544 0.265 6.339 1.00 0.00 C ATOM 389 C ARG A 27 61.726 -1.083 7.028 1.00 0.00 C ATOM 390 O ARG A 27 61.276 -2.109 6.518 1.00 0.00 O ATOM 391 CB ARG A 27 60.057 0.546 6.092 1.00 0.00 C ATOM 392 CG ARG A 27 59.265 0.458 7.403 1.00 0.00 C ATOM 393 CD ARG A 27 57.792 0.758 7.116 1.00 0.00 C ATOM 394 NE ARG A 27 57.028 0.813 8.360 1.00 0.00 N ATOM 395 CZ ARG A 27 56.502 -0.284 8.903 1.00 0.00 C ATOM 396 NH1 ARG A 27 56.588 -0.479 10.192 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.897 -1.162 8.147 1.00 0.00 N ATOM 0 H ARG A 27 62.218 -0.636 4.567 1.00 0.00 H new ATOM 0 HA ARG A 27 61.945 1.048 6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 27 59.937 1.537 5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 27 59.661 -0.171 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 27 59.369 -0.535 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.659 1.168 8.130 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.705 1.707 6.587 1.00 0.00 H new ATOM 0 HD3 ARG A 27 57.379 -0.011 6.463 1.00 0.00 H new ATOM 0 HE ARG A 27 56.894 1.712 8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 27 57.057 0.208 10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 27 56.186 -1.319 10.609 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.828 -1.007 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 27 55.494 -2.002 8.563 1.00 0.00 H new ATOM 411 N LEU A 28 62.392 -1.080 8.188 1.00 0.00 N ATOM 412 CA LEU A 28 62.627 -2.325 8.931 1.00 0.00 C ATOM 413 C LEU A 28 62.168 -2.192 10.379 1.00 0.00 C ATOM 414 O LEU A 28 62.880 -1.632 11.206 1.00 0.00 O ATOM 415 CB LEU A 28 64.119 -2.671 8.924 1.00 0.00 C ATOM 416 CG LEU A 28 64.598 -2.963 7.495 1.00 0.00 C ATOM 417 CD1 LEU A 28 66.121 -3.150 7.507 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.917 -4.237 6.945 1.00 0.00 C ATOM 0 H LEU A 28 62.773 -0.243 8.629 1.00 0.00 H new ATOM 0 HA LEU A 28 62.056 -3.114 8.442 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.692 -1.844 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.300 -3.539 9.559 1.00 0.00 H new ATOM 0 HG LEU A 28 64.332 -2.126 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 28 66.470 -3.358 6.496 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.596 -2.241 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.380 -3.984 8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 28 64.268 -4.429 5.931 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.165 -5.086 7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.836 -4.096 6.934 1.00 0.00 H new ATOM 430 N SER A 29 60.990 -2.730 10.695 1.00 0.00 N ATOM 431 CA SER A 29 60.497 -2.655 12.071 1.00 0.00 C ATOM 432 C SER A 29 61.477 -3.350 12.999 1.00 0.00 C ATOM 433 O SER A 29 62.481 -3.898 12.547 1.00 0.00 O ATOM 434 CB SER A 29 59.114 -3.290 12.228 1.00 0.00 C ATOM 435 OG SER A 29 58.604 -2.970 13.517 1.00 0.00 O ATOM 0 H SER A 29 60.374 -3.210 10.038 1.00 0.00 H new ATOM 0 HA SER A 29 60.407 -1.600 12.329 1.00 0.00 H new ATOM 0 HB2 SER A 29 58.440 -2.922 11.454 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.180 -4.371 12.106 1.00 0.00 H new ATOM 0 HG SER A 29 57.717 -3.371 13.627 1.00 0.00 H new ATOM 441 N ARG A 30 61.181 -3.317 14.292 1.00 0.00 N ATOM 442 CA ARG A 30 62.060 -3.916 15.286 1.00 0.00 C ATOM 443 C ARG A 30 62.358 -5.379 14.973 1.00 0.00 C ATOM 444 O ARG A 30 61.473 -6.150 14.598 1.00 0.00 O ATOM 445 CB ARG A 30 61.410 -3.815 16.670 1.00 0.00 C ATOM 446 CG ARG A 30 62.302 -4.493 17.711 1.00 0.00 C ATOM 447 CD ARG A 30 61.744 -4.231 19.109 1.00 0.00 C ATOM 448 NE ARG A 30 61.773 -2.805 19.411 1.00 0.00 N ATOM 449 CZ ARG A 30 61.003 -2.296 20.368 1.00 0.00 C ATOM 450 NH1 ARG A 30 60.613 -3.051 21.359 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 60.637 -1.044 20.317 1.00 0.00 N ATOM 0 H ARG A 30 60.341 -2.883 14.675 1.00 0.00 H new ATOM 0 HA ARG A 30 63.003 -3.370 15.269 1.00 0.00 H new ATOM 0 HB2 ARG A 30 61.257 -2.769 16.935 1.00 0.00 H new ATOM 0 HB3 ARG A 30 60.428 -4.287 16.656 1.00 0.00 H new ATOM 0 HG2 ARG A 30 62.349 -5.565 17.522 1.00 0.00 H new ATOM 0 HG3 ARG A 30 63.320 -4.111 17.637 1.00 0.00 H new ATOM 0 HD2 ARG A 30 60.721 -4.602 19.174 1.00 0.00 H new ATOM 0 HD3 ARG A 30 62.329 -4.777 19.849 1.00 0.00 H new ATOM 0 HE ARG A 30 62.391 -2.190 18.882 1.00 0.00 H new ATOM 0 HH11 ARG A 30 60.899 -4.029 21.398 1.00 0.00 H new ATOM 0 HH12 ARG A 30 60.022 -2.663 22.094 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.942 -0.455 19.542 1.00 0.00 H new ATOM 0 HH22 ARG A 30 60.046 -0.655 21.052 1.00 0.00 H new ATOM 465 N ALA A 31 63.632 -5.734 15.139 1.00 0.00 N ATOM 466 CA ALA A 31 64.112 -7.090 14.887 1.00 0.00 C ATOM 467 C ALA A 31 64.065 -7.928 16.156 1.00 0.00 C ATOM 468 O ALA A 31 63.542 -7.499 17.181 1.00 0.00 O ATOM 469 CB ALA A 31 65.547 -7.047 14.355 1.00 0.00 C ATOM 0 H ALA A 31 64.358 -5.090 15.452 1.00 0.00 H new ATOM 0 HA ALA A 31 63.460 -7.548 14.143 1.00 0.00 H new ATOM 0 HB1 ALA A 31 65.897 -8.063 14.170 1.00 0.00 H new ATOM 0 HB2 ALA A 31 65.573 -6.479 13.425 1.00 0.00 H new ATOM 0 HB3 ALA A 31 66.194 -6.569 15.091 1.00 0.00 H new ATOM 475 N SER A 32 64.617 -9.134 16.075 1.00 0.00 N ATOM 476 CA SER A 32 64.635 -10.041 17.218 1.00 0.00 C ATOM 477 C SER A 32 65.893 -10.887 17.173 1.00 0.00 C ATOM 478 O SER A 32 66.771 -10.772 18.028 1.00 0.00 O ATOM 479 CB SER A 32 63.399 -10.943 17.174 1.00 0.00 C ATOM 480 OG SER A 32 63.168 -11.495 18.465 1.00 0.00 O ATOM 0 H SER A 32 65.057 -9.506 15.233 1.00 0.00 H new ATOM 0 HA SER A 32 64.624 -9.464 18.143 1.00 0.00 H new ATOM 0 HB2 SER A 32 62.529 -10.371 16.851 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.544 -11.741 16.446 1.00 0.00 H new ATOM 0 HG SER A 32 62.376 -12.071 18.437 1.00 0.00 H new ATOM 486 N GLY A 33 65.977 -11.722 16.149 1.00 0.00 N ATOM 487 CA GLY A 33 67.136 -12.573 15.969 1.00 0.00 C ATOM 488 C GLY A 33 68.306 -11.748 15.462 1.00 0.00 C ATOM 489 O GLY A 33 69.102 -11.232 16.249 1.00 0.00 O ATOM 0 H GLY A 33 65.257 -11.826 15.434 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.398 -13.051 16.913 1.00 0.00 H new ATOM 0 HA3 GLY A 33 66.907 -13.370 15.261 1.00 0.00 H new ATOM 493 N GLN A 34 68.404 -11.621 14.137 1.00 0.00 N ATOM 494 CA GLN A 34 69.482 -10.846 13.521 1.00 0.00 C ATOM 495 C GLN A 34 68.931 -9.756 12.608 1.00 0.00 C ATOM 496 O GLN A 34 67.955 -9.961 11.886 1.00 0.00 O ATOM 497 CB GLN A 34 70.399 -11.778 12.722 1.00 0.00 C ATOM 498 CG GLN A 34 71.091 -12.763 13.671 1.00 0.00 C ATOM 499 CD GLN A 34 72.042 -12.018 14.599 1.00 0.00 C ATOM 500 OE1 GLN A 34 72.902 -11.267 14.137 1.00 0.00 O ATOM 501 NE2 GLN A 34 71.939 -12.178 15.890 1.00 0.00 N ATOM 0 H GLN A 34 67.754 -12.042 13.474 1.00 0.00 H new ATOM 0 HA GLN A 34 70.050 -10.365 14.317 1.00 0.00 H new ATOM 0 HB2 GLN A 34 69.819 -12.323 11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.144 -11.195 12.182 1.00 0.00 H new ATOM 0 HG2 GLN A 34 70.345 -13.300 14.257 1.00 0.00 H new ATOM 0 HG3 GLN A 34 71.641 -13.508 13.096 1.00 0.00 H new ATOM 0 HE21 GLN A 34 71.226 -12.800 16.272 1.00 0.00 H new ATOM 0 HE22 GLN A 34 72.571 -11.681 16.518 1.00 0.00 H new ATOM 510 N GLU A 35 69.580 -8.594 12.643 1.00 0.00 N ATOM 511 CA GLU A 35 69.172 -7.463 11.815 1.00 0.00 C ATOM 512 C GLU A 35 69.769 -7.591 10.413 1.00 0.00 C ATOM 513 O GLU A 35 70.821 -8.200 10.232 1.00 0.00 O ATOM 514 CB GLU A 35 69.636 -6.155 12.475 1.00 0.00 C ATOM 515 CG GLU A 35 69.370 -4.959 11.550 1.00 0.00 C ATOM 516 CD GLU A 35 67.889 -4.883 11.193 1.00 0.00 C ATOM 517 OE1 GLU A 35 67.083 -5.351 11.980 1.00 0.00 O ATOM 518 OE2 GLU A 35 67.584 -4.362 10.133 1.00 0.00 O1- ATOM 0 H GLU A 35 70.390 -8.412 13.236 1.00 0.00 H new ATOM 0 HA GLU A 35 68.086 -7.455 11.726 1.00 0.00 H new ATOM 0 HB2 GLU A 35 69.113 -6.013 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 35 70.700 -6.215 12.704 1.00 0.00 H new ATOM 0 HG2 GLU A 35 69.681 -4.036 12.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 69.965 -5.054 10.642 1.00 0.00 H new ATOM 525 N ALA A 36 69.093 -7.008 9.426 1.00 0.00 N ATOM 526 CA ALA A 36 69.575 -7.064 8.051 1.00 0.00 C ATOM 527 C ALA A 36 70.825 -6.201 7.895 1.00 0.00 C ATOM 528 O ALA A 36 70.909 -5.109 8.453 1.00 0.00 O ATOM 529 CB ALA A 36 68.484 -6.558 7.104 1.00 0.00 C ATOM 0 H ALA A 36 68.219 -6.497 9.551 1.00 0.00 H new ATOM 0 HA ALA A 36 69.823 -8.097 7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 36 68.846 -6.600 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 36 67.597 -7.184 7.203 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.231 -5.528 7.357 1.00 0.00 H new ATOM 535 N ARG A 37 71.802 -6.709 7.136 1.00 0.00 N ATOM 536 CA ARG A 37 73.061 -5.987 6.915 1.00 0.00 C ATOM 537 C ARG A 37 73.224 -5.621 5.440 1.00 0.00 C ATOM 538 O ARG A 37 72.936 -6.427 4.558 1.00 0.00 O ATOM 539 CB ARG A 37 74.242 -6.868 7.347 1.00 0.00 C ATOM 540 CG ARG A 37 74.122 -7.188 8.839 1.00 0.00 C ATOM 541 CD ARG A 37 75.302 -8.055 9.288 1.00 0.00 C ATOM 542 NE ARG A 37 75.225 -9.383 8.685 1.00 0.00 N ATOM 543 CZ ARG A 37 74.447 -10.332 9.204 1.00 0.00 C ATOM 544 NH1 ARG A 37 73.574 -10.944 8.451 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 74.560 -10.654 10.466 1.00 0.00 N ATOM 0 H ARG A 37 71.747 -7.613 6.666 1.00 0.00 H new ATOM 0 HA ARG A 37 73.041 -5.071 7.506 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.253 -7.790 6.766 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.183 -6.355 7.149 1.00 0.00 H new ATOM 0 HG2 ARG A 37 74.099 -6.264 9.416 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.184 -7.708 9.033 1.00 0.00 H new ATOM 0 HD2 ARG A 37 76.240 -7.576 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 37 75.303 -8.143 10.374 1.00 0.00 H new ATOM 0 HE ARG A 37 75.777 -9.588 7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 37 73.488 -10.696 7.465 1.00 0.00 H new ATOM 0 HH12 ARG A 37 72.978 -11.671 8.848 1.00 0.00 H new ATOM 0 HH21 ARG A 37 75.244 -10.179 11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 37 73.964 -11.381 10.862 1.00 0.00 H new ATOM 559 N TRP A 38 73.701 -4.406 5.182 1.00 0.00 N ATOM 560 CA TRP A 38 73.911 -3.959 3.808 1.00 0.00 C ATOM 561 C TRP A 38 75.172 -4.603 3.236 1.00 0.00 C ATOM 562 O TRP A 38 75.956 -5.208 3.968 1.00 0.00 O ATOM 563 CB TRP A 38 74.063 -2.435 3.760 1.00 0.00 C ATOM 564 CG TRP A 38 72.733 -1.776 3.934 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.357 -1.049 5.011 1.00 0.00 C ATOM 566 CD2 TRP A 38 71.605 -1.762 3.013 1.00 0.00 C ATOM 567 NE1 TRP A 38 71.069 -0.584 4.805 1.00 0.00 N ATOM 568 CE2 TRP A 38 70.562 -1.003 3.591 1.00 0.00 C ATOM 569 CE3 TRP A 38 71.388 -2.333 1.746 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.346 -0.811 2.931 1.00 0.00 C ATOM 571 CZ3 TRP A 38 70.168 -2.144 1.079 1.00 0.00 C ATOM 572 CH2 TRP A 38 69.148 -1.387 1.673 1.00 0.00 C ATOM 0 H TRP A 38 73.947 -3.721 5.896 1.00 0.00 H new ATOM 0 HA TRP A 38 73.045 -4.255 3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 38 74.745 -2.106 4.544 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.503 -2.136 2.809 1.00 0.00 H new ATOM 0 HD1 TRP A 38 72.961 -0.862 5.886 1.00 0.00 H new ATOM 0 HE1 TRP A 38 70.557 -0.003 5.469 1.00 0.00 H new ATOM 0 HE3 TRP A 38 72.166 -2.921 1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 68.565 -0.222 3.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 70.014 -2.583 0.104 1.00 0.00 H new ATOM 0 HH2 TRP A 38 68.209 -1.249 1.158 1.00 0.00 H new ATOM 583 N ALA A 39 75.364 -4.463 1.928 1.00 0.00 N ATOM 584 CA ALA A 39 76.538 -5.030 1.278 1.00 0.00 C ATOM 585 C ALA A 39 76.725 -4.437 -0.119 1.00 0.00 C ATOM 586 O ALA A 39 75.859 -4.577 -0.979 1.00 0.00 O ATOM 587 CB ALA A 39 76.387 -6.557 1.184 1.00 0.00 C ATOM 0 H ALA A 39 74.728 -3.967 1.304 1.00 0.00 H new ATOM 0 HA ALA A 39 77.418 -4.787 1.873 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.266 -6.980 0.698 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.290 -6.975 2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 39 75.498 -6.800 0.602 1.00 0.00 H new ATOM 593 N LEU A 40 77.867 -3.785 -0.344 1.00 0.00 N ATOM 594 CA LEU A 40 78.166 -3.188 -1.649 1.00 0.00 C ATOM 595 C LEU A 40 79.421 -3.832 -2.221 1.00 0.00 C ATOM 596 O LEU A 40 80.513 -3.694 -1.666 1.00 0.00 O ATOM 597 CB LEU A 40 78.377 -1.677 -1.493 1.00 0.00 C ATOM 598 CG LEU A 40 78.461 -1.003 -2.875 1.00 0.00 C ATOM 599 CD1 LEU A 40 78.302 0.512 -2.700 1.00 0.00 C ATOM 600 CD2 LEU A 40 79.812 -1.315 -3.561 1.00 0.00 C ATOM 0 H LEU A 40 78.598 -3.657 0.356 1.00 0.00 H new ATOM 0 HA LEU A 40 77.331 -3.359 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 40 77.556 -1.246 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 40 79.292 -1.487 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 40 77.664 -1.392 -3.508 1.00 0.00 H new ATOM 0 HD11 LEU A 40 78.360 0.999 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 77.335 0.726 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 40 79.098 0.890 -2.058 1.00 0.00 H new ATOM 0 HD21 LEU A 40 79.846 -0.828 -4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 40 80.629 -0.945 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 40 79.914 -2.392 -3.691 1.00 0.00 H new ATOM 612 N GLY A 41 79.255 -4.544 -3.331 1.00 0.00 N ATOM 613 CA GLY A 41 80.381 -5.219 -3.965 1.00 0.00 C ATOM 614 C GLY A 41 80.770 -6.464 -3.171 1.00 0.00 C ATOM 615 O GLY A 41 81.845 -7.032 -3.369 1.00 0.00 O ATOM 0 H GLY A 41 78.361 -4.668 -3.806 1.00 0.00 H new ATOM 0 HA2 GLY A 41 80.118 -5.498 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 41 81.231 -4.540 -4.029 1.00 0.00 H new ATOM 619 N GLY A 42 79.881 -6.885 -2.272 1.00 0.00 N ATOM 620 CA GLY A 42 80.119 -8.069 -1.444 1.00 0.00 C ATOM 621 C GLY A 42 80.650 -7.684 -0.067 1.00 0.00 C ATOM 622 O GLY A 42 80.509 -8.436 0.896 1.00 0.00 O ATOM 0 H GLY A 42 78.988 -6.424 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 42 79.192 -8.631 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 42 80.833 -8.726 -1.941 1.00 0.00 H new ATOM 626 N VAL A 43 81.261 -6.502 0.022 1.00 0.00 N ATOM 627 CA VAL A 43 81.812 -6.014 1.290 1.00 0.00 C ATOM 628 C VAL A 43 80.906 -4.920 1.873 1.00 0.00 C ATOM 629 O VAL A 43 80.306 -4.155 1.117 1.00 0.00 O ATOM 630 CB VAL A 43 83.213 -5.450 1.047 1.00 0.00 C ATOM 631 CG1 VAL A 43 84.076 -6.515 0.364 1.00 0.00 C ATOM 632 CG2 VAL A 43 83.121 -4.222 0.137 1.00 0.00 C ATOM 0 H VAL A 43 81.387 -5.866 -0.765 1.00 0.00 H new ATOM 0 HA VAL A 43 81.867 -6.839 2.000 1.00 0.00 H new ATOM 0 HB VAL A 43 83.659 -5.167 2.000 1.00 0.00 H new ATOM 0 HG11 VAL A 43 85.075 -6.116 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 43 84.143 -7.395 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.625 -6.793 -0.588 1.00 0.00 H new ATOM 0 HG21 VAL A 43 84.120 -3.821 -0.035 1.00 0.00 H new ATOM 0 HG22 VAL A 43 82.675 -4.508 -0.816 1.00 0.00 H new ATOM 0 HG23 VAL A 43 82.502 -3.462 0.613 1.00 0.00 H new ATOM 642 N PRO A 44 80.789 -4.816 3.181 1.00 0.00 N ATOM 643 CA PRO A 44 79.921 -3.776 3.807 1.00 0.00 C ATOM 644 C PRO A 44 80.277 -2.366 3.321 1.00 0.00 C ATOM 645 O PRO A 44 81.449 -2.036 3.135 1.00 0.00 O ATOM 646 CB PRO A 44 80.171 -3.899 5.332 1.00 0.00 C ATOM 647 CG PRO A 44 81.161 -5.023 5.539 1.00 0.00 C ATOM 648 CD PRO A 44 81.443 -5.680 4.176 1.00 0.00 C ATOM 0 HA PRO A 44 78.875 -3.930 3.542 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.562 -2.964 5.733 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.239 -4.107 5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.084 -4.640 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.760 -5.757 6.238 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.514 -5.752 3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 44 81.044 -6.694 4.139 1.00 0.00 H new ATOM 656 N LEU A 45 79.248 -1.541 3.133 1.00 0.00 N ATOM 657 CA LEU A 45 79.443 -0.162 2.689 1.00 0.00 C ATOM 658 C LEU A 45 79.793 0.733 3.878 1.00 0.00 C ATOM 659 O LEU A 45 79.719 0.307 5.029 1.00 0.00 O ATOM 660 CB LEU A 45 78.175 0.350 1.969 1.00 0.00 C ATOM 661 CG LEU A 45 77.095 0.809 2.970 1.00 0.00 C ATOM 662 CD1 LEU A 45 75.832 1.207 2.205 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.752 -0.335 3.929 1.00 0.00 C ATOM 0 H LEU A 45 78.273 -1.803 3.281 1.00 0.00 H new ATOM 0 HA LEU A 45 80.274 -0.131 1.984 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.439 1.180 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.772 -0.441 1.336 1.00 0.00 H new ATOM 0 HG LEU A 45 77.474 1.659 3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.067 1.532 2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 45 76.064 2.022 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.464 0.351 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.989 -0.003 4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.376 -1.186 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.647 -0.631 4.477 1.00 0.00 H new ATOM 675 N GLN A 46 80.167 1.978 3.593 1.00 0.00 N ATOM 676 CA GLN A 46 80.515 2.928 4.652 1.00 0.00 C ATOM 677 C GLN A 46 80.071 4.337 4.263 1.00 0.00 C ATOM 678 O GLN A 46 80.174 4.730 3.103 1.00 0.00 O ATOM 679 CB GLN A 46 82.031 2.916 4.890 1.00 0.00 C ATOM 680 CG GLN A 46 82.381 3.815 6.085 1.00 0.00 C ATOM 681 CD GLN A 46 81.794 3.233 7.369 1.00 0.00 C ATOM 682 OE1 GLN A 46 81.877 2.026 7.595 1.00 0.00 O ATOM 683 NE2 GLN A 46 81.193 4.020 8.219 1.00 0.00 N ATOM 0 H GLN A 46 80.237 2.352 2.647 1.00 0.00 H new ATOM 0 HA GLN A 46 80.003 2.632 5.568 1.00 0.00 H new ATOM 0 HB2 GLN A 46 82.370 1.897 5.079 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.551 3.265 3.997 1.00 0.00 H new ATOM 0 HG2 GLN A 46 83.463 3.904 6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 46 81.992 4.820 5.921 1.00 0.00 H new ATOM 0 HE21 GLN A 46 81.126 5.020 8.029 1.00 0.00 H new ATOM 0 HE22 GLN A 46 80.790 3.635 9.074 1.00 0.00 H new ATOM 692 N ALA A 47 79.587 5.097 5.241 1.00 0.00 N ATOM 693 CA ALA A 47 79.147 6.462 4.981 1.00 0.00 C ATOM 694 C ALA A 47 80.328 7.324 4.543 1.00 0.00 C ATOM 695 O ALA A 47 81.438 7.180 5.055 1.00 0.00 O ATOM 696 CB ALA A 47 78.513 7.052 6.241 1.00 0.00 C ATOM 0 H ALA A 47 79.490 4.794 6.210 1.00 0.00 H new ATOM 0 HA ALA A 47 78.407 6.446 4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 78.186 8.072 6.040 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.655 6.447 6.534 1.00 0.00 H new ATOM 0 HB3 ALA A 47 79.245 7.058 7.048 1.00 0.00 H new ATOM 702 N ASN A 48 80.081 8.216 3.588 1.00 0.00 N ATOM 703 CA ASN A 48 81.125 9.102 3.072 1.00 0.00 C ATOM 704 C ASN A 48 80.486 10.361 2.481 1.00 0.00 C ATOM 705 O ASN A 48 79.314 10.635 2.728 1.00 0.00 O ATOM 706 CB ASN A 48 81.943 8.367 1.997 1.00 0.00 C ATOM 707 CG ASN A 48 83.328 8.994 1.854 1.00 0.00 C ATOM 708 OD1 ASN A 48 83.942 9.379 2.848 1.00 0.00 O ATOM 709 ND2 ASN A 48 83.859 9.122 0.667 1.00 0.00 N ATOM 0 H ASN A 48 79.167 8.346 3.154 1.00 0.00 H new ATOM 0 HA ASN A 48 81.790 9.392 3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 48 82.040 7.314 2.263 1.00 0.00 H new ATOM 0 HB3 ASN A 48 81.419 8.408 1.042 1.00 0.00 H new ATOM 0 HD21 ASN A 48 84.783 9.541 0.564 1.00 0.00 H new ATOM 0 HD22 ASN A 48 83.349 8.803 -0.157 1.00 0.00 H new ATOM 716 N GLU A 49 81.242 11.129 1.699 1.00 0.00 N ATOM 717 CA GLU A 49 80.679 12.337 1.100 1.00 0.00 C ATOM 718 C GLU A 49 79.589 11.968 0.096 1.00 0.00 C ATOM 719 O GLU A 49 78.495 12.531 0.115 1.00 0.00 O ATOM 720 CB GLU A 49 81.755 13.160 0.375 1.00 0.00 C ATOM 721 CG GLU A 49 82.757 13.773 1.375 1.00 0.00 C ATOM 722 CD GLU A 49 83.898 12.800 1.664 1.00 0.00 C ATOM 723 OE1 GLU A 49 83.806 11.663 1.234 1.00 0.00 O ATOM 724 OE2 GLU A 49 84.856 13.215 2.296 1.00 0.00 O1- ATOM 0 H GLU A 49 82.219 10.944 1.470 1.00 0.00 H new ATOM 0 HA GLU A 49 80.261 12.936 1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 49 82.287 12.525 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 81.282 13.954 -0.202 1.00 0.00 H new ATOM 0 HG2 GLU A 49 83.159 14.702 0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 49 82.244 14.025 2.303 1.00 0.00 H new ATOM 731 N MET A 50 79.905 11.019 -0.786 1.00 0.00 N ATOM 732 CA MET A 50 78.951 10.577 -1.804 1.00 0.00 C ATOM 733 C MET A 50 77.775 9.826 -1.180 1.00 0.00 C ATOM 734 O MET A 50 76.624 10.037 -1.564 1.00 0.00 O ATOM 735 CB MET A 50 79.664 9.679 -2.822 1.00 0.00 C ATOM 736 CG MET A 50 78.678 9.245 -3.913 1.00 0.00 C ATOM 737 SD MET A 50 79.552 8.278 -5.173 1.00 0.00 S ATOM 738 CE MET A 50 79.914 6.805 -4.177 1.00 0.00 C ATOM 0 H MET A 50 80.807 10.544 -0.817 1.00 0.00 H new ATOM 0 HA MET A 50 78.555 11.460 -2.305 1.00 0.00 H new ATOM 0 HB2 MET A 50 80.502 10.214 -3.269 1.00 0.00 H new ATOM 0 HB3 MET A 50 80.076 8.802 -2.322 1.00 0.00 H new ATOM 0 HG2 MET A 50 77.875 8.651 -3.476 1.00 0.00 H new ATOM 0 HG3 MET A 50 78.215 10.121 -4.368 1.00 0.00 H new ATOM 0 HE1 MET A 50 80.072 5.951 -4.835 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.813 6.978 -3.585 1.00 0.00 H new ATOM 0 HE3 MET A 50 79.075 6.601 -3.512 1.00 0.00 H new ATOM 748 N ASN A 51 78.069 8.940 -0.227 1.00 0.00 N ATOM 749 CA ASN A 51 77.026 8.150 0.439 1.00 0.00 C ATOM 750 C ASN A 51 76.805 8.637 1.865 1.00 0.00 C ATOM 751 O ASN A 51 77.756 8.918 2.590 1.00 0.00 O ATOM 752 CB ASN A 51 77.432 6.676 0.464 1.00 0.00 C ATOM 753 CG ASN A 51 77.345 6.089 -0.939 1.00 0.00 C ATOM 754 OD1 ASN A 51 76.642 6.626 -1.796 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.027 5.016 -1.229 1.00 0.00 N ATOM 0 H ASN A 51 79.016 8.750 0.102 1.00 0.00 H new ATOM 0 HA ASN A 51 76.097 8.269 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.448 6.576 0.847 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.781 6.122 1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 51 77.979 4.619 -2.168 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.608 4.573 -0.517 1.00 0.00 H new ATOM 762 N ASP A 52 75.538 8.723 2.272 1.00 0.00 N ATOM 763 CA ASP A 52 75.200 9.168 3.620 1.00 0.00 C ATOM 764 C ASP A 52 74.063 8.316 4.160 1.00 0.00 C ATOM 765 O ASP A 52 73.197 7.879 3.403 1.00 0.00 O ATOM 766 CB ASP A 52 74.776 10.640 3.597 1.00 0.00 C ATOM 767 CG ASP A 52 75.977 11.523 3.275 1.00 0.00 C ATOM 768 OD1 ASP A 52 77.092 11.054 3.434 1.00 0.00 O ATOM 769 OD2 ASP A 52 75.763 12.652 2.866 1.00 0.00 O1- ATOM 0 H ASP A 52 74.734 8.491 1.689 1.00 0.00 H new ATOM 0 HA ASP A 52 76.074 9.063 4.263 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.994 10.790 2.853 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.356 10.921 4.563 1.00 0.00 H new ATOM 774 N ILE A 53 74.071 8.081 5.468 1.00 0.00 N ATOM 775 CA ILE A 53 73.033 7.275 6.107 1.00 0.00 C ATOM 776 C ILE A 53 72.374 8.073 7.223 1.00 0.00 C ATOM 777 O ILE A 53 73.052 8.616 8.097 1.00 0.00 O ATOM 778 CB ILE A 53 73.652 5.988 6.661 1.00 0.00 C ATOM 779 CG1 ILE A 53 74.216 5.160 5.498 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.582 5.174 7.389 1.00 0.00 C ATOM 781 CD1 ILE A 53 75.020 3.976 6.040 1.00 0.00 C ATOM 0 H ILE A 53 74.783 8.436 6.107 1.00 0.00 H new ATOM 0 HA ILE A 53 72.272 7.012 5.372 1.00 0.00 H new ATOM 0 HB ILE A 53 74.451 6.239 7.359 1.00 0.00 H new ATOM 0 HG12 ILE A 53 73.402 4.800 4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 53 74.851 5.785 4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.025 4.259 7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 53 72.174 5.762 8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 53 71.782 4.920 6.693 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.416 3.394 5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 53 75.844 4.345 6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.373 3.345 6.648 1.00 0.00 H new ATOM 793 N THR A 54 71.044 8.158 7.177 1.00 0.00 N ATOM 794 CA THR A 54 70.282 8.915 8.174 1.00 0.00 C ATOM 795 C THR A 54 69.211 8.039 8.821 1.00 0.00 C ATOM 796 O THR A 54 68.454 7.359 8.133 1.00 0.00 O ATOM 797 CB THR A 54 69.620 10.115 7.489 1.00 0.00 C ATOM 798 OG1 THR A 54 70.626 10.970 6.966 1.00 0.00 O ATOM 799 CG2 THR A 54 68.769 10.886 8.496 1.00 0.00 C ATOM 0 H THR A 54 70.471 7.712 6.460 1.00 0.00 H new ATOM 0 HA THR A 54 70.962 9.255 8.955 1.00 0.00 H new ATOM 0 HB THR A 54 68.981 9.760 6.680 1.00 0.00 H new ATOM 0 HG1 THR A 54 70.206 11.738 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.302 11.737 8.001 1.00 0.00 H new ATOM 0 HG22 THR A 54 67.996 10.230 8.897 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.401 11.241 9.310 1.00 0.00 H new ATOM 807 N VAL A 55 69.153 8.066 10.155 1.00 0.00 N ATOM 808 CA VAL A 55 68.164 7.271 10.886 1.00 0.00 C ATOM 809 C VAL A 55 66.864 8.056 11.037 1.00 0.00 C ATOM 810 O VAL A 55 66.866 9.199 11.496 1.00 0.00 O ATOM 811 CB VAL A 55 68.703 6.907 12.273 1.00 0.00 C ATOM 812 CG1 VAL A 55 67.628 6.158 13.063 1.00 0.00 C ATOM 813 CG2 VAL A 55 69.939 6.016 12.126 1.00 0.00 C ATOM 0 H VAL A 55 69.771 8.623 10.745 1.00 0.00 H new ATOM 0 HA VAL A 55 67.969 6.358 10.323 1.00 0.00 H new ATOM 0 HB VAL A 55 68.973 7.820 12.804 1.00 0.00 H new ATOM 0 HG11 VAL A 55 68.014 5.900 14.049 1.00 0.00 H new ATOM 0 HG12 VAL A 55 66.748 6.792 13.172 1.00 0.00 H new ATOM 0 HG13 VAL A 55 67.354 5.247 12.531 1.00 0.00 H new ATOM 0 HG21 VAL A 55 70.321 5.758 13.114 1.00 0.00 H new ATOM 0 HG22 VAL A 55 69.669 5.105 11.592 1.00 0.00 H new ATOM 0 HG23 VAL A 55 70.708 6.550 11.568 1.00 0.00 H new ATOM 823 N GLU A 56 65.751 7.431 10.647 1.00 0.00 N ATOM 824 CA GLU A 56 64.431 8.067 10.738 1.00 0.00 C ATOM 825 C GLU A 56 63.534 7.305 11.716 1.00 0.00 C ATOM 826 O GLU A 56 63.723 6.110 11.939 1.00 0.00 O ATOM 827 CB GLU A 56 63.770 8.097 9.353 1.00 0.00 C ATOM 828 CG GLU A 56 64.532 9.063 8.440 1.00 0.00 C ATOM 829 CD GLU A 56 63.902 9.074 7.050 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.482 9.677 6.163 1.00 0.00 O ATOM 831 OE2 GLU A 56 62.842 8.489 6.899 1.00 0.00 O1- ATOM 0 H GLU A 56 65.735 6.485 10.265 1.00 0.00 H new ATOM 0 HA GLU A 56 64.563 9.086 11.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.766 7.097 8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.730 8.409 9.442 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.515 10.067 8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.578 8.764 8.372 1.00 0.00 H new ATOM 838 N GLN A 57 62.561 8.005 12.297 1.00 0.00 N ATOM 839 CA GLN A 57 61.645 7.380 13.250 1.00 0.00 C ATOM 840 C GLN A 57 60.950 6.179 12.617 1.00 0.00 C ATOM 841 O GLN A 57 60.825 6.096 11.396 1.00 0.00 O ATOM 842 CB GLN A 57 60.586 8.386 13.708 1.00 0.00 C ATOM 843 CG GLN A 57 61.234 9.463 14.585 1.00 0.00 C ATOM 844 CD GLN A 57 60.188 10.493 15.009 1.00 0.00 C ATOM 845 OE1 GLN A 57 59.013 10.364 14.661 1.00 0.00 O ATOM 846 NE2 GLN A 57 60.543 11.510 15.745 1.00 0.00 N ATOM 0 H GLN A 57 62.387 8.996 12.127 1.00 0.00 H new ATOM 0 HA GLN A 57 62.228 7.047 14.109 1.00 0.00 H new ATOM 0 HB2 GLN A 57 60.111 8.847 12.842 1.00 0.00 H new ATOM 0 HB3 GLN A 57 59.802 7.874 14.266 1.00 0.00 H new ATOM 0 HG2 GLN A 57 61.682 9.004 15.466 1.00 0.00 H new ATOM 0 HG3 GLN A 57 62.038 9.954 14.037 1.00 0.00 H new ATOM 0 HE21 GLN A 57 61.516 11.616 16.033 1.00 0.00 H new ATOM 0 HE22 GLN A 57 59.848 12.199 16.033 1.00 0.00 H new ATOM 855 N GLY A 58 60.501 5.247 13.456 1.00 0.00 N ATOM 856 CA GLY A 58 59.823 4.052 12.963 1.00 0.00 C ATOM 857 C GLY A 58 60.831 3.048 12.420 1.00 0.00 C ATOM 858 O GLY A 58 60.467 2.072 11.762 1.00 0.00 O ATOM 0 H GLY A 58 60.594 5.296 14.471 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.246 3.597 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.116 4.326 12.180 1.00 0.00 H new ATOM 862 N THR A 59 62.102 3.295 12.713 1.00 0.00 N ATOM 863 CA THR A 59 63.178 2.414 12.269 1.00 0.00 C ATOM 864 C THR A 59 63.371 2.474 10.750 1.00 0.00 C ATOM 865 O THR A 59 63.913 1.544 10.148 1.00 0.00 O ATOM 866 CB THR A 59 62.886 0.974 12.716 1.00 0.00 C ATOM 867 OG1 THR A 59 62.140 1.003 13.924 1.00 0.00 O ATOM 868 CG2 THR A 59 64.198 0.214 12.938 1.00 0.00 C ATOM 0 H THR A 59 62.414 4.099 13.257 1.00 0.00 H new ATOM 0 HA THR A 59 64.106 2.756 12.728 1.00 0.00 H new ATOM 0 HB THR A 59 62.313 0.466 11.941 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.949 0.086 14.213 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.979 -0.806 13.255 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.767 0.191 12.009 1.00 0.00 H new ATOM 0 HG23 THR A 59 64.783 0.715 13.709 1.00 0.00 H new ATOM 876 N LEU A 60 62.936 3.572 10.136 1.00 0.00 N ATOM 877 CA LEU A 60 63.092 3.739 8.691 1.00 0.00 C ATOM 878 C LEU A 60 64.526 4.174 8.362 1.00 0.00 C ATOM 879 O LEU A 60 65.138 4.940 9.108 1.00 0.00 O ATOM 880 CB LEU A 60 62.093 4.783 8.155 1.00 0.00 C ATOM 881 CG LEU A 60 60.737 4.130 7.857 1.00 0.00 C ATOM 882 CD1 LEU A 60 60.098 3.644 9.159 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.820 5.160 7.190 1.00 0.00 C ATOM 0 H LEU A 60 62.478 4.351 10.608 1.00 0.00 H new ATOM 0 HA LEU A 60 62.889 2.782 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.965 5.581 8.886 1.00 0.00 H new ATOM 0 HB3 LEU A 60 62.489 5.241 7.249 1.00 0.00 H new ATOM 0 HG LEU A 60 60.882 3.279 7.192 1.00 0.00 H new ATOM 0 HD11 LEU A 60 59.135 3.181 8.941 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.752 2.914 9.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.950 4.490 9.830 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.854 4.702 6.975 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.679 6.009 7.859 1.00 0.00 H new ATOM 0 HD23 LEU A 60 60.274 5.503 6.260 1.00 0.00 H new ATOM 895 N HIS A 61 65.050 3.690 7.232 1.00 0.00 N ATOM 896 CA HIS A 61 66.407 4.036 6.787 1.00 0.00 C ATOM 897 C HIS A 61 66.322 4.912 5.537 1.00 0.00 C ATOM 898 O HIS A 61 65.323 4.878 4.819 1.00 0.00 O ATOM 899 CB HIS A 61 67.196 2.765 6.466 1.00 0.00 C ATOM 900 CG HIS A 61 67.401 1.954 7.717 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.861 0.645 7.677 1.00 0.00 N ATOM 902 CD2 HIS A 61 67.219 2.243 9.050 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.938 0.202 8.944 1.00 0.00 C ATOM 904 NE2 HIS A 61 67.559 1.135 9.821 1.00 0.00 N ATOM 0 H HIS A 61 64.555 3.055 6.606 1.00 0.00 H new ATOM 0 HA HIS A 61 66.916 4.578 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.661 2.173 5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 61 68.160 3.027 6.031 1.00 0.00 H new ATOM 0 HD2 HIS A 61 66.866 3.187 9.439 1.00 0.00 H new ATOM 0 HE1 HIS A 61 68.267 -0.789 9.219 1.00 0.00 H new ATOM 0 HE2 HIS A 61 67.526 1.053 10.837 1.00 0.00 H new ATOM 912 N LEU A 62 67.363 5.705 5.279 1.00 0.00 N ATOM 913 CA LEU A 62 67.362 6.592 4.112 1.00 0.00 C ATOM 914 C LEU A 62 68.794 6.870 3.653 1.00 0.00 C ATOM 915 O LEU A 62 69.530 7.604 4.312 1.00 0.00 O ATOM 916 CB LEU A 62 66.668 7.914 4.497 1.00 0.00 C ATOM 917 CG LEU A 62 66.146 8.667 3.254 1.00 0.00 C ATOM 918 CD1 LEU A 62 67.272 8.866 2.233 1.00 0.00 C ATOM 919 CD2 LEU A 62 64.982 7.892 2.598 1.00 0.00 C ATOM 0 H LEU A 62 68.206 5.753 5.851 1.00 0.00 H new ATOM 0 HA LEU A 62 66.826 6.114 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.838 7.706 5.172 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.369 8.549 5.039 1.00 0.00 H new ATOM 0 HG LEU A 62 65.784 9.643 3.578 1.00 0.00 H new ATOM 0 HD11 LEU A 62 66.885 9.398 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 62 68.076 9.447 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 62 67.657 7.895 1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 62 64.628 8.439 1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.329 6.905 2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 62 64.167 7.785 3.314 1.00 0.00 H new ATOM 931 N LEU A 63 69.181 6.304 2.502 1.00 0.00 N ATOM 932 CA LEU A 63 70.520 6.538 1.956 1.00 0.00 C ATOM 933 C LEU A 63 70.451 7.661 0.933 1.00 0.00 C ATOM 934 O LEU A 63 69.892 7.491 -0.149 1.00 0.00 O ATOM 935 CB LEU A 63 71.073 5.245 1.313 1.00 0.00 C ATOM 936 CG LEU A 63 71.901 4.447 2.331 1.00 0.00 C ATOM 937 CD1 LEU A 63 71.099 4.246 3.626 1.00 0.00 C ATOM 938 CD2 LEU A 63 72.254 3.085 1.723 1.00 0.00 C ATOM 0 H LEU A 63 68.593 5.689 1.939 1.00 0.00 H new ATOM 0 HA LEU A 63 71.196 6.827 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 63 70.249 4.633 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.691 5.496 0.451 1.00 0.00 H new ATOM 0 HG LEU A 63 72.813 4.995 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.697 3.679 4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.848 5.217 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 63 70.182 3.699 3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.842 2.509 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 63 71.338 2.543 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.833 3.233 0.811 1.00 0.00 H new ATOM 950 N THR A 64 71.015 8.810 1.282 1.00 0.00 N ATOM 951 CA THR A 64 70.998 9.948 0.376 1.00 0.00 C ATOM 952 C THR A 64 72.192 9.896 -0.564 1.00 0.00 C ATOM 953 O THR A 64 73.340 10.031 -0.138 1.00 0.00 O ATOM 954 CB THR A 64 71.042 11.253 1.177 1.00 0.00 C ATOM 955 OG1 THR A 64 69.908 11.319 2.030 1.00 0.00 O ATOM 956 CG2 THR A 64 71.033 12.444 0.218 1.00 0.00 C ATOM 0 H THR A 64 71.483 8.977 2.173 1.00 0.00 H new ATOM 0 HA THR A 64 70.080 9.909 -0.210 1.00 0.00 H new ATOM 0 HB THR A 64 71.951 11.282 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.934 12.152 2.545 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.064 13.372 0.790 1.00 0.00 H new ATOM 0 HG22 THR A 64 71.903 12.391 -0.436 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.125 12.419 -0.384 1.00 0.00 H new ATOM 964 N LEU A 65 71.907 9.707 -1.849 1.00 0.00 N ATOM 965 CA LEU A 65 72.960 9.650 -2.867 1.00 0.00 C ATOM 966 C LEU A 65 73.062 10.996 -3.578 1.00 0.00 C ATOM 967 O LEU A 65 72.220 11.333 -4.411 1.00 0.00 O ATOM 968 CB LEU A 65 72.641 8.557 -3.896 1.00 0.00 C ATOM 969 CG LEU A 65 72.435 7.209 -3.193 1.00 0.00 C ATOM 970 CD1 LEU A 65 72.059 6.151 -4.235 1.00 0.00 C ATOM 971 CD2 LEU A 65 73.728 6.789 -2.472 1.00 0.00 C ATOM 0 H LEU A 65 70.961 9.591 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 65 73.907 9.420 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 65 71.744 8.824 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 65 73.454 8.478 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 65 71.635 7.302 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 65 71.911 5.190 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 65 71.138 6.446 -4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 65 72.860 6.062 -4.969 1.00 0.00 H new ATOM 0 HD21 LEU A 65 73.573 5.831 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 65 74.535 6.695 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 65 73.993 7.543 -1.731 1.00 0.00 H new ATOM 983 N HIS A 66 74.095 11.769 -3.236 1.00 0.00 N ATOM 984 CA HIS A 66 74.301 13.091 -3.835 1.00 0.00 C ATOM 985 C HIS A 66 75.316 13.039 -4.976 1.00 0.00 C ATOM 986 O HIS A 66 76.376 12.425 -4.855 1.00 0.00 O ATOM 987 CB HIS A 66 74.784 14.074 -2.766 1.00 0.00 C ATOM 988 CG HIS A 66 75.003 15.425 -3.388 1.00 0.00 C ATOM 989 ND1 HIS A 66 73.952 16.219 -3.821 1.00 0.00 N ATOM 990 CD2 HIS A 66 76.145 16.136 -3.655 1.00 0.00 C ATOM 991 CE1 HIS A 66 74.480 17.352 -4.321 1.00 0.00 C ATOM 992 NE2 HIS A 66 75.814 17.352 -4.245 1.00 0.00 N ATOM 0 H HIS A 66 74.801 11.504 -2.549 1.00 0.00 H new ATOM 0 HA HIS A 66 73.347 13.425 -4.244 1.00 0.00 H new ATOM 0 HB2 HIS A 66 74.049 14.146 -1.964 1.00 0.00 H new ATOM 0 HB3 HIS A 66 75.710 13.714 -2.318 1.00 0.00 H new ATOM 0 HD2 HIS A 66 77.149 15.802 -3.440 1.00 0.00 H new ATOM 0 HE1 HIS A 66 73.897 18.162 -4.733 1.00 0.00 H new ATOM 0 HE2 HIS A 66 76.452 18.085 -4.553 1.00 0.00 H new ATOM 1000 N LYS A 67 74.976 13.698 -6.082 1.00 0.00 N ATOM 1001 CA LYS A 67 75.850 13.740 -7.253 1.00 0.00 C ATOM 1002 C LYS A 67 76.258 12.332 -7.682 1.00 0.00 C ATOM 1003 O LYS A 67 77.431 11.966 -7.611 1.00 0.00 O ATOM 1004 CB LYS A 67 77.107 14.579 -6.952 1.00 0.00 C ATOM 1005 CG LYS A 67 77.707 15.119 -8.263 1.00 0.00 C ATOM 1006 CD LYS A 67 78.849 16.097 -7.960 1.00 0.00 C ATOM 1007 CE LYS A 67 80.113 15.330 -7.560 1.00 0.00 C ATOM 1008 NZ LYS A 67 81.249 16.286 -7.432 1.00 0.00 N1+ ATOM 0 H LYS A 67 74.101 14.211 -6.192 1.00 0.00 H new ATOM 0 HA LYS A 67 75.297 14.203 -8.070 1.00 0.00 H new ATOM 0 HB2 LYS A 67 76.852 15.407 -6.291 1.00 0.00 H new ATOM 0 HB3 LYS A 67 77.844 13.970 -6.429 1.00 0.00 H new ATOM 0 HG2 LYS A 67 78.078 14.292 -8.869 1.00 0.00 H new ATOM 0 HG3 LYS A 67 76.934 15.620 -8.846 1.00 0.00 H new ATOM 0 HD2 LYS A 67 79.051 16.713 -8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 67 78.555 16.772 -7.156 1.00 0.00 H new ATOM 0 HE2 LYS A 67 79.953 14.809 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 67 80.344 14.571 -8.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 82.109 15.769 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 81.405 16.764 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 81.026 16.994 -6.704 1.00 0.00 H new ATOM 1022 N VAL A 68 75.283 11.550 -8.128 1.00 0.00 N ATOM 1023 CA VAL A 68 75.555 10.188 -8.566 1.00 0.00 C ATOM 1024 C VAL A 68 76.511 10.193 -9.757 1.00 0.00 C ATOM 1025 O VAL A 68 76.553 11.151 -10.529 1.00 0.00 O ATOM 1026 CB VAL A 68 74.232 9.475 -8.932 1.00 0.00 C ATOM 1027 CG1 VAL A 68 73.841 9.757 -10.391 1.00 0.00 C ATOM 1028 CG2 VAL A 68 74.389 7.964 -8.747 1.00 0.00 C ATOM 0 H VAL A 68 74.305 11.833 -8.196 1.00 0.00 H new ATOM 0 HA VAL A 68 76.030 9.643 -7.750 1.00 0.00 H new ATOM 0 HB VAL A 68 73.451 9.856 -8.274 1.00 0.00 H new ATOM 0 HG11 VAL A 68 72.908 9.244 -10.623 1.00 0.00 H new ATOM 0 HG12 VAL A 68 73.710 10.830 -10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 68 74.627 9.397 -11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 68 73.454 7.467 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 68 75.186 7.599 -9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.639 7.749 -7.708 1.00 0.00 H new ATOM 1038 N THR A 69 77.263 9.107 -9.907 1.00 0.00 N ATOM 1039 CA THR A 69 78.208 8.976 -11.014 1.00 0.00 C ATOM 1040 C THR A 69 78.099 7.584 -11.621 1.00 0.00 C ATOM 1041 O THR A 69 77.543 6.673 -11.011 1.00 0.00 O ATOM 1042 CB THR A 69 79.643 9.216 -10.528 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.551 8.918 -11.582 1.00 0.00 O ATOM 1044 CG2 THR A 69 79.951 8.319 -9.324 1.00 0.00 C ATOM 0 H THR A 69 77.237 8.305 -9.277 1.00 0.00 H new ATOM 0 HA THR A 69 77.965 9.723 -11.770 1.00 0.00 H new ATOM 0 HB THR A 69 79.749 10.259 -10.230 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.469 9.072 -11.276 1.00 0.00 H new ATOM 0 HG21 THR A 69 80.972 8.499 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.258 8.546 -8.514 1.00 0.00 H new ATOM 0 HG23 THR A 69 79.842 7.273 -9.612 1.00 0.00 H new ATOM 1052 N LEU A 70 78.630 7.428 -12.822 1.00 0.00 N ATOM 1053 CA LEU A 70 78.588 6.142 -13.505 1.00 0.00 C ATOM 1054 C LEU A 70 79.311 5.095 -12.678 1.00 0.00 C ATOM 1055 O LEU A 70 78.989 3.906 -12.728 1.00 0.00 O ATOM 1056 CB LEU A 70 79.262 6.268 -14.870 1.00 0.00 C ATOM 1057 CG LEU A 70 78.396 7.119 -15.809 1.00 0.00 C ATOM 1058 CD1 LEU A 70 79.237 7.549 -17.019 1.00 0.00 C ATOM 1059 CD2 LEU A 70 77.172 6.307 -16.289 1.00 0.00 C ATOM 0 H LEU A 70 79.094 8.171 -13.344 1.00 0.00 H new ATOM 0 HA LEU A 70 77.549 5.840 -13.637 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.246 6.723 -14.758 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.416 5.279 -15.301 1.00 0.00 H new ATOM 0 HG LEU A 70 78.044 8.000 -15.272 1.00 0.00 H new ATOM 0 HD11 LEU A 70 78.627 8.154 -17.690 1.00 0.00 H new ATOM 0 HD12 LEU A 70 80.091 8.134 -16.679 1.00 0.00 H new ATOM 0 HD13 LEU A 70 79.591 6.665 -17.549 1.00 0.00 H new ATOM 0 HD21 LEU A 70 76.566 6.922 -16.954 1.00 0.00 H new ATOM 0 HD22 LEU A 70 77.511 5.420 -16.823 1.00 0.00 H new ATOM 0 HD23 LEU A 70 76.575 6.006 -15.428 1.00 0.00 H new ATOM 1071 N GLU A 71 80.287 5.556 -11.916 1.00 0.00 N ATOM 1072 CA GLU A 71 81.067 4.677 -11.063 1.00 0.00 C ATOM 1073 C GLU A 71 80.178 4.115 -9.959 1.00 0.00 C ATOM 1074 O GLU A 71 80.452 3.048 -9.405 1.00 0.00 O ATOM 1075 CB GLU A 71 82.233 5.469 -10.464 1.00 0.00 C ATOM 1076 CG GLU A 71 83.146 4.545 -9.655 1.00 0.00 C ATOM 1077 CD GLU A 71 83.882 3.583 -10.584 1.00 0.00 C ATOM 1078 OE1 GLU A 71 84.541 2.690 -10.076 1.00 0.00 O ATOM 1079 OE2 GLU A 71 83.782 3.754 -11.787 1.00 0.00 O1- ATOM 0 H GLU A 71 80.559 6.538 -11.871 1.00 0.00 H new ATOM 0 HA GLU A 71 81.463 3.845 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 71 82.803 5.948 -11.260 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.850 6.264 -9.824 1.00 0.00 H new ATOM 0 HG2 GLU A 71 83.865 5.137 -9.089 1.00 0.00 H new ATOM 0 HG3 GLU A 71 82.556 3.983 -8.931 1.00 0.00 H new ATOM 1086 N ASP A 72 79.103 4.838 -9.650 1.00 0.00 N ATOM 1087 CA ASP A 72 78.173 4.402 -8.614 1.00 0.00 C ATOM 1088 C ASP A 72 77.539 3.070 -8.997 1.00 0.00 C ATOM 1089 O ASP A 72 77.379 2.188 -8.153 1.00 0.00 O ATOM 1090 CB ASP A 72 77.079 5.452 -8.404 1.00 0.00 C ATOM 1091 CG ASP A 72 76.206 5.055 -7.217 1.00 0.00 C ATOM 1092 OD1 ASP A 72 75.555 5.927 -6.667 1.00 0.00 O ATOM 1093 OD2 ASP A 72 76.200 3.884 -6.876 1.00 0.00 O1- ATOM 0 H ASP A 72 78.857 5.720 -10.099 1.00 0.00 H new ATOM 0 HA ASP A 72 78.729 4.277 -7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 72 77.529 6.429 -8.226 1.00 0.00 H new ATOM 0 HB3 ASP A 72 76.469 5.540 -9.303 1.00 0.00 H new ATOM 1098 N ALA A 73 77.189 2.926 -10.277 1.00 0.00 N ATOM 1099 CA ALA A 73 76.581 1.688 -10.765 1.00 0.00 C ATOM 1100 C ALA A 73 77.234 0.475 -10.106 1.00 0.00 C ATOM 1101 O ALA A 73 78.447 0.288 -10.192 1.00 0.00 O ATOM 1102 CB ALA A 73 76.743 1.592 -12.284 1.00 0.00 C ATOM 0 H ALA A 73 77.315 3.646 -10.989 1.00 0.00 H new ATOM 0 HA ALA A 73 75.521 1.700 -10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.288 0.668 -12.641 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.253 2.443 -12.757 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.803 1.596 -12.538 1.00 0.00 H new ATOM 1108 N GLY A 74 76.423 -0.331 -9.437 1.00 0.00 N ATOM 1109 CA GLY A 74 76.927 -1.514 -8.753 1.00 0.00 C ATOM 1110 C GLY A 74 75.770 -2.316 -8.177 1.00 0.00 C ATOM 1111 O GLY A 74 74.614 -1.914 -8.287 1.00 0.00 O ATOM 0 H GLY A 74 75.416 -0.189 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 74 77.497 -2.131 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 74 77.609 -1.220 -7.955 1.00 0.00 H new ATOM 1115 N THR A 75 76.082 -3.459 -7.570 1.00 0.00 N ATOM 1116 CA THR A 75 75.045 -4.319 -6.991 1.00 0.00 C ATOM 1117 C THR A 75 75.006 -4.199 -5.470 1.00 0.00 C ATOM 1118 O THR A 75 76.024 -4.362 -4.793 1.00 0.00 O ATOM 1119 CB THR A 75 75.311 -5.775 -7.385 1.00 0.00 C ATOM 1120 OG1 THR A 75 75.177 -5.910 -8.793 1.00 0.00 O ATOM 1121 CG2 THR A 75 74.304 -6.693 -6.686 1.00 0.00 C ATOM 0 H THR A 75 77.034 -3.811 -7.465 1.00 0.00 H new ATOM 0 HA THR A 75 74.079 -3.997 -7.380 1.00 0.00 H new ATOM 0 HB THR A 75 76.320 -6.054 -7.083 1.00 0.00 H new ATOM 0 HG1 THR A 75 75.348 -6.840 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 75 74.497 -7.728 -6.969 1.00 0.00 H new ATOM 0 HG22 THR A 75 74.405 -6.588 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 75 73.292 -6.418 -6.985 1.00 0.00 H new ATOM 1129 N VAL A 76 73.809 -3.927 -4.940 1.00 0.00 N ATOM 1130 CA VAL A 76 73.614 -3.805 -3.493 1.00 0.00 C ATOM 1131 C VAL A 76 72.653 -4.897 -3.020 1.00 0.00 C ATOM 1132 O VAL A 76 71.574 -5.069 -3.584 1.00 0.00 O ATOM 1133 CB VAL A 76 73.018 -2.431 -3.159 1.00 0.00 C ATOM 1134 CG1 VAL A 76 72.677 -2.365 -1.668 1.00 0.00 C ATOM 1135 CG2 VAL A 76 74.026 -1.332 -3.503 1.00 0.00 C ATOM 0 H VAL A 76 72.962 -3.787 -5.491 1.00 0.00 H new ATOM 0 HA VAL A 76 74.576 -3.912 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 76 72.110 -2.283 -3.744 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.254 -1.388 -1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 76 71.952 -3.142 -1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 76 73.582 -2.518 -1.081 1.00 0.00 H new ATOM 0 HG21 VAL A 76 73.598 -0.358 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.937 -1.480 -2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 76 74.261 -1.374 -4.566 1.00 0.00 H new ATOM 1145 N SER A 77 73.048 -5.632 -1.984 1.00 0.00 N ATOM 1146 CA SER A 77 72.215 -6.705 -1.440 1.00 0.00 C ATOM 1147 C SER A 77 72.378 -6.774 0.069 1.00 0.00 C ATOM 1148 O SER A 77 73.238 -6.102 0.641 1.00 0.00 O ATOM 1149 CB SER A 77 72.612 -8.048 -2.047 1.00 0.00 C ATOM 1150 OG SER A 77 71.852 -9.080 -1.428 1.00 0.00 O ATOM 0 H SER A 77 73.939 -5.506 -1.503 1.00 0.00 H new ATOM 0 HA SER A 77 71.175 -6.492 -1.688 1.00 0.00 H new ATOM 0 HB2 SER A 77 72.433 -8.042 -3.122 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.677 -8.226 -1.902 1.00 0.00 H new ATOM 0 HG SER A 77 70.905 -8.828 -1.418 1.00 0.00 H new ATOM 1156 N PHE A 78 71.552 -7.589 0.714 1.00 0.00 N ATOM 1157 CA PHE A 78 71.618 -7.736 2.163 1.00 0.00 C ATOM 1158 C PHE A 78 71.157 -9.125 2.593 1.00 0.00 C ATOM 1159 O PHE A 78 70.325 -9.755 1.929 1.00 0.00 O ATOM 1160 CB PHE A 78 70.749 -6.670 2.822 1.00 0.00 C ATOM 1161 CG PHE A 78 69.353 -6.754 2.264 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.410 -7.598 2.858 1.00 0.00 C ATOM 1163 CD2 PHE A 78 69.001 -5.982 1.152 1.00 0.00 C ATOM 1164 CE1 PHE A 78 67.114 -7.673 2.339 1.00 0.00 C ATOM 1165 CE2 PHE A 78 67.705 -6.059 0.630 1.00 0.00 C ATOM 1166 CZ PHE A 78 66.761 -6.900 1.226 1.00 0.00 C ATOM 0 H PHE A 78 70.834 -8.154 0.261 1.00 0.00 H new ATOM 0 HA PHE A 78 72.654 -7.611 2.479 1.00 0.00 H new ATOM 0 HB2 PHE A 78 70.731 -6.815 3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 78 71.167 -5.680 2.640 1.00 0.00 H new ATOM 0 HD1 PHE A 78 68.683 -8.192 3.718 1.00 0.00 H new ATOM 0 HD2 PHE A 78 69.729 -5.327 0.697 1.00 0.00 H new ATOM 0 HE1 PHE A 78 66.386 -8.327 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 78 67.434 -5.469 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 78 65.759 -6.954 0.828 1.00 0.00 H new ATOM 1176 N HIS A 79 71.711 -9.595 3.711 1.00 0.00 N ATOM 1177 CA HIS A 79 71.375 -10.913 4.250 1.00 0.00 C ATOM 1178 C HIS A 79 70.729 -10.782 5.627 1.00 0.00 C ATOM 1179 O HIS A 79 71.268 -10.128 6.521 1.00 0.00 O ATOM 1180 CB HIS A 79 72.646 -11.758 4.354 1.00 0.00 C ATOM 1181 CG HIS A 79 73.190 -12.011 2.974 1.00 0.00 C ATOM 1182 ND1 HIS A 79 74.044 -11.121 2.340 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.006 -13.045 2.090 1.00 0.00 C ATOM 1184 CE1 HIS A 79 74.337 -11.632 1.131 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.731 -12.804 0.929 1.00 0.00 N ATOM 0 H HIS A 79 72.397 -9.080 4.263 1.00 0.00 H new ATOM 0 HA HIS A 79 70.665 -11.397 3.580 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.390 -11.243 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 79 72.428 -12.704 4.850 1.00 0.00 H new ATOM 0 HD2 HIS A 79 72.391 -13.914 2.270 1.00 0.00 H new ATOM 0 HE1 HIS A 79 74.984 -11.152 0.411 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.788 -13.396 0.100 1.00 0.00 H new ATOM 1193 N VAL A 80 69.566 -11.412 5.786 1.00 0.00 N ATOM 1194 CA VAL A 80 68.823 -11.380 7.052 1.00 0.00 C ATOM 1195 C VAL A 80 68.685 -12.797 7.615 1.00 0.00 C ATOM 1196 O VAL A 80 68.300 -13.726 6.907 1.00 0.00 O ATOM 1197 CB VAL A 80 67.437 -10.757 6.827 1.00 0.00 C ATOM 1198 CG1 VAL A 80 66.867 -10.256 8.157 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.558 -9.585 5.848 1.00 0.00 C ATOM 0 H VAL A 80 69.113 -11.955 5.051 1.00 0.00 H new ATOM 0 HA VAL A 80 69.370 -10.771 7.772 1.00 0.00 H new ATOM 0 HB VAL A 80 66.768 -11.512 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 80 65.884 -9.816 7.989 1.00 0.00 H new ATOM 0 HG12 VAL A 80 66.776 -11.091 8.852 1.00 0.00 H new ATOM 0 HG13 VAL A 80 67.534 -9.504 8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.575 -9.142 5.687 1.00 0.00 H new ATOM 0 HG22 VAL A 80 68.231 -8.834 6.261 1.00 0.00 H new ATOM 0 HG23 VAL A 80 67.954 -9.944 4.898 1.00 0.00 H new ATOM 1209 N GLY A 81 69.026 -12.952 8.887 1.00 0.00 N ATOM 1210 CA GLY A 81 68.973 -14.253 9.548 1.00 0.00 C ATOM 1211 C GLY A 81 67.656 -14.994 9.308 1.00 0.00 C ATOM 1212 O GLY A 81 67.587 -16.208 9.502 1.00 0.00 O ATOM 0 H GLY A 81 69.344 -12.190 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 81 69.799 -14.868 9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.116 -14.116 10.620 1.00 0.00 H new ATOM 1216 N THR A 82 66.603 -14.276 8.904 1.00 0.00 N ATOM 1217 CA THR A 82 65.294 -14.912 8.672 1.00 0.00 C ATOM 1218 C THR A 82 64.976 -15.015 7.179 1.00 0.00 C ATOM 1219 O THR A 82 64.333 -15.970 6.743 1.00 0.00 O ATOM 1220 CB THR A 82 64.191 -14.103 9.369 1.00 0.00 C ATOM 1221 OG1 THR A 82 62.963 -14.286 8.678 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.563 -12.620 9.362 1.00 0.00 C ATOM 0 H THR A 82 66.625 -13.271 8.732 1.00 0.00 H new ATOM 0 HA THR A 82 65.337 -15.920 9.084 1.00 0.00 H new ATOM 0 HB THR A 82 64.085 -14.445 10.398 1.00 0.00 H new ATOM 0 HG1 THR A 82 62.400 -13.492 8.795 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.780 -12.046 9.857 1.00 0.00 H new ATOM 0 HG22 THR A 82 65.506 -12.479 9.891 1.00 0.00 H new ATOM 0 HG23 THR A 82 64.669 -12.276 8.333 1.00 0.00 H new ATOM 1230 N CYS A 83 65.424 -14.033 6.400 1.00 0.00 N ATOM 1231 CA CYS A 83 65.175 -14.029 4.952 1.00 0.00 C ATOM 1232 C CYS A 83 66.368 -13.432 4.211 1.00 0.00 C ATOM 1233 O CYS A 83 67.382 -13.116 4.823 1.00 0.00 O ATOM 1234 CB CYS A 83 63.919 -13.214 4.641 1.00 0.00 C ATOM 1235 SG CYS A 83 62.561 -13.772 5.702 1.00 0.00 S ATOM 0 H CYS A 83 65.958 -13.233 6.740 1.00 0.00 H new ATOM 0 HA CYS A 83 65.030 -15.057 4.621 1.00 0.00 H new ATOM 0 HB2 CYS A 83 64.111 -12.154 4.805 1.00 0.00 H new ATOM 0 HB3 CYS A 83 63.647 -13.331 3.592 1.00 0.00 H new ATOM 0 HG CYS A 83 62.931 -13.715 6.947 1.00 0.00 H new ATOM 1241 N SER A 84 66.246 -13.280 2.893 1.00 0.00 N ATOM 1242 CA SER A 84 67.337 -12.715 2.094 1.00 0.00 C ATOM 1243 C SER A 84 66.817 -12.177 0.767 1.00 0.00 C ATOM 1244 O SER A 84 65.760 -12.591 0.290 1.00 0.00 O ATOM 1245 CB SER A 84 68.393 -13.784 1.817 1.00 0.00 C ATOM 1246 OG SER A 84 67.822 -14.803 1.008 1.00 0.00 O ATOM 0 H SER A 84 65.415 -13.536 2.360 1.00 0.00 H new ATOM 0 HA SER A 84 67.779 -11.896 2.662 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.253 -13.342 1.314 1.00 0.00 H new ATOM 0 HB3 SER A 84 68.755 -14.207 2.754 1.00 0.00 H new ATOM 0 HG SER A 84 68.495 -15.491 0.825 1.00 0.00 H new ATOM 1252 N SER A 85 67.573 -11.261 0.165 1.00 0.00 N ATOM 1253 CA SER A 85 67.174 -10.689 -1.117 1.00 0.00 C ATOM 1254 C SER A 85 68.324 -9.914 -1.752 1.00 0.00 C ATOM 1255 O SER A 85 69.341 -9.643 -1.109 1.00 0.00 O ATOM 1256 CB SER A 85 65.972 -9.764 -0.930 1.00 0.00 C ATOM 1257 OG SER A 85 65.604 -9.212 -2.187 1.00 0.00 O ATOM 0 H SER A 85 68.452 -10.904 0.538 1.00 0.00 H new ATOM 0 HA SER A 85 66.900 -11.509 -1.781 1.00 0.00 H new ATOM 0 HB2 SER A 85 65.135 -10.318 -0.504 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.217 -8.967 -0.228 1.00 0.00 H new ATOM 0 HG SER A 85 64.832 -8.619 -2.071 1.00 0.00 H new ATOM 1263 N GLU A 86 68.151 -9.557 -3.024 1.00 0.00 N ATOM 1264 CA GLU A 86 69.165 -8.808 -3.764 1.00 0.00 C ATOM 1265 C GLU A 86 68.511 -7.659 -4.526 1.00 0.00 C ATOM 1266 O GLU A 86 67.296 -7.647 -4.725 1.00 0.00 O ATOM 1267 CB GLU A 86 69.884 -9.728 -4.757 1.00 0.00 C ATOM 1268 CG GLU A 86 70.697 -10.780 -3.997 1.00 0.00 C ATOM 1269 CD GLU A 86 71.398 -11.710 -4.983 1.00 0.00 C ATOM 1270 OE1 GLU A 86 72.108 -12.592 -4.532 1.00 0.00 O ATOM 1271 OE2 GLU A 86 71.215 -11.521 -6.173 1.00 0.00 O1- ATOM 0 H GLU A 86 67.314 -9.776 -3.565 1.00 0.00 H new ATOM 0 HA GLU A 86 69.889 -8.409 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 86 69.157 -10.216 -5.406 1.00 0.00 H new ATOM 0 HB3 GLU A 86 70.541 -9.142 -5.399 1.00 0.00 H new ATOM 0 HG2 GLU A 86 71.433 -10.291 -3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 86 70.042 -11.356 -3.344 1.00 0.00 H new ATOM 1278 N ALA A 87 69.326 -6.701 -4.956 1.00 0.00 N ATOM 1279 CA ALA A 87 68.826 -5.550 -5.706 1.00 0.00 C ATOM 1280 C ALA A 87 69.894 -5.068 -6.677 1.00 0.00 C ATOM 1281 O ALA A 87 71.085 -5.290 -6.451 1.00 0.00 O ATOM 1282 CB ALA A 87 68.446 -4.418 -4.751 1.00 0.00 C ATOM 0 H ALA A 87 70.334 -6.697 -4.799 1.00 0.00 H new ATOM 0 HA ALA A 87 67.939 -5.851 -6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 87 68.075 -3.568 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.669 -4.763 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 87 69.323 -4.115 -4.178 1.00 0.00 H new ATOM 1288 N GLN A 88 69.471 -4.424 -7.765 1.00 0.00 N ATOM 1289 CA GLN A 88 70.412 -3.930 -8.777 1.00 0.00 C ATOM 1290 C GLN A 88 70.233 -2.438 -9.025 1.00 0.00 C ATOM 1291 O GLN A 88 69.112 -1.949 -9.222 1.00 0.00 O ATOM 1292 CB GLN A 88 70.194 -4.671 -10.094 1.00 0.00 C ATOM 1293 CG GLN A 88 70.523 -6.153 -9.924 1.00 0.00 C ATOM 1294 CD GLN A 88 70.238 -6.882 -11.233 1.00 0.00 C ATOM 1295 OE1 GLN A 88 70.080 -6.242 -12.272 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.144 -8.182 -11.244 1.00 0.00 N ATOM 0 H GLN A 88 68.490 -4.232 -7.970 1.00 0.00 H new ATOM 0 HA GLN A 88 71.420 -4.106 -8.402 1.00 0.00 H new ATOM 0 HB2 GLN A 88 69.160 -4.555 -10.418 1.00 0.00 H new ATOM 0 HB3 GLN A 88 70.823 -4.238 -10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 88 71.570 -6.276 -9.645 1.00 0.00 H new ATOM 0 HG3 GLN A 88 69.926 -6.580 -9.118 1.00 0.00 H new ATOM 0 HE21 GLN A 88 70.275 -8.710 -10.381 1.00 0.00 H new ATOM 0 HE22 GLN A 88 69.939 -8.671 -12.115 1.00 0.00 H new ATOM 1305 N LEU A 89 71.357 -1.720 -9.039 1.00 0.00 N ATOM 1306 CA LEU A 89 71.355 -0.281 -9.288 1.00 0.00 C ATOM 1307 C LEU A 89 72.125 0.020 -10.571 1.00 0.00 C ATOM 1308 O LEU A 89 73.354 0.010 -10.580 1.00 0.00 O ATOM 1309 CB LEU A 89 72.021 0.449 -8.115 1.00 0.00 C ATOM 1310 CG LEU A 89 72.058 1.964 -8.371 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.634 2.510 -8.543 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.731 2.650 -7.177 1.00 0.00 C ATOM 0 H LEU A 89 72.284 -2.116 -8.880 1.00 0.00 H new ATOM 0 HA LEU A 89 70.325 0.061 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 89 71.475 0.244 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 89 73.035 0.074 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 89 72.620 2.164 -9.284 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.676 3.584 -8.724 1.00 0.00 H new ATOM 0 HD12 LEU A 89 70.155 2.018 -9.390 1.00 0.00 H new ATOM 0 HD13 LEU A 89 70.058 2.316 -7.638 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.763 3.726 -7.347 1.00 0.00 H new ATOM 0 HD22 LEU A 89 72.163 2.442 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 89 73.746 2.270 -7.064 1.00 0.00 H new ATOM 1324 N LYS A 90 71.396 0.305 -11.647 1.00 0.00 N ATOM 1325 CA LYS A 90 72.018 0.629 -12.931 1.00 0.00 C ATOM 1326 C LYS A 90 71.932 2.134 -13.167 1.00 0.00 C ATOM 1327 O LYS A 90 70.976 2.776 -12.746 1.00 0.00 O ATOM 1328 CB LYS A 90 71.303 -0.127 -14.075 1.00 0.00 C ATOM 1329 CG LYS A 90 71.990 -1.473 -14.357 1.00 0.00 C ATOM 1330 CD LYS A 90 71.781 -2.428 -13.179 1.00 0.00 C ATOM 1331 CE LYS A 90 72.362 -3.801 -13.532 1.00 0.00 C ATOM 1332 NZ LYS A 90 73.851 -3.738 -13.495 1.00 0.00 N1+ ATOM 0 H LYS A 90 70.376 0.319 -11.657 1.00 0.00 H new ATOM 0 HA LYS A 90 73.064 0.323 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 90 70.260 -0.296 -13.808 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.307 0.484 -14.978 1.00 0.00 H new ATOM 0 HG2 LYS A 90 71.585 -1.913 -15.268 1.00 0.00 H new ATOM 0 HG3 LYS A 90 73.056 -1.318 -14.525 1.00 0.00 H new ATOM 0 HD2 LYS A 90 72.266 -2.034 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 90 70.719 -2.517 -12.952 1.00 0.00 H new ATOM 0 HE2 LYS A 90 72.002 -4.551 -12.828 1.00 0.00 H new ATOM 0 HE3 LYS A 90 72.025 -4.106 -14.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 74.242 -4.696 -13.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 74.192 -3.137 -14.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 74.159 -3.337 -12.586 1.00 0.00 H new ATOM 1346 N VAL A 91 72.938 2.686 -13.845 1.00 0.00 N ATOM 1347 CA VAL A 91 72.971 4.122 -14.141 1.00 0.00 C ATOM 1348 C VAL A 91 73.004 4.332 -15.655 1.00 0.00 C ATOM 1349 O VAL A 91 74.059 4.228 -16.280 1.00 0.00 O ATOM 1350 CB VAL A 91 74.213 4.766 -13.506 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.094 6.289 -13.581 1.00 0.00 C ATOM 1352 CG2 VAL A 91 74.333 4.343 -12.037 1.00 0.00 C ATOM 0 H VAL A 91 73.740 2.164 -14.200 1.00 0.00 H new ATOM 0 HA VAL A 91 72.078 4.589 -13.726 1.00 0.00 H new ATOM 0 HB VAL A 91 75.099 4.436 -14.049 1.00 0.00 H new ATOM 0 HG11 VAL A 91 74.975 6.745 -13.130 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.019 6.597 -14.624 1.00 0.00 H new ATOM 0 HG13 VAL A 91 73.203 6.611 -13.042 1.00 0.00 H new ATOM 0 HG21 VAL A 91 75.217 4.805 -11.596 1.00 0.00 H new ATOM 0 HG22 VAL A 91 73.445 4.665 -11.492 1.00 0.00 H new ATOM 0 HG23 VAL A 91 74.422 3.258 -11.977 1.00 0.00 H new ATOM 1362 N THR A 92 71.839 4.627 -16.240 1.00 0.00 N ATOM 1363 CA THR A 92 71.740 4.850 -17.688 1.00 0.00 C ATOM 1364 C THR A 92 70.802 6.020 -17.984 1.00 0.00 C ATOM 1365 O THR A 92 69.822 6.235 -17.268 1.00 0.00 O ATOM 1366 CB THR A 92 71.219 3.584 -18.378 1.00 0.00 C ATOM 1367 OG1 THR A 92 71.013 3.851 -19.758 1.00 0.00 O ATOM 1368 CG2 THR A 92 69.898 3.154 -17.737 1.00 0.00 C ATOM 0 H THR A 92 70.956 4.717 -15.738 1.00 0.00 H new ATOM 0 HA THR A 92 72.732 5.088 -18.071 1.00 0.00 H new ATOM 0 HB THR A 92 71.950 2.783 -18.266 1.00 0.00 H new ATOM 0 HG1 THR A 92 70.682 3.043 -20.202 1.00 0.00 H new ATOM 0 HG21 THR A 92 69.530 2.254 -18.230 1.00 0.00 H new ATOM 0 HG22 THR A 92 70.057 2.949 -16.678 1.00 0.00 H new ATOM 0 HG23 THR A 92 69.164 3.952 -17.846 1.00 0.00 H new