USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl 141:sc= -0.0489 (180deg=-2.49!) USER MOD Set 1.2: A 144 MET CE :methyl 140:sc= -0.434 (180deg=-0.956) USER MOD Set 1.3: A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 107 HIS : no HD1:sc= -1.64! K(o=-3.8!,f=-1.6) USER MOD Set 2.2: A 111 ASN : amide:sc= -2.19! C(o=-3.8!,f=-1.6!) USER MOD Set 3.1: A 26 THR OG1 : rot -66:sc= 1.27 USER MOD Set 3.2: A 60 ASN : amide:sc= 1.88 K(o=3.3,f=-6.1!) USER MOD Set 3.3: A 62 THR OG1 : rot -2:sc= 0.139 USER MOD Set 4.1: A 5 THR OG1 : rot 132:sc= 1 USER MOD Set 4.2: A 8 GLN : amide:sc= 0 X(o=1,f=1.4) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0158 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -60:sc= 1.2 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 179:sc= -0.157 (180deg=-0.194) USER MOD Single : A 38 SER OG : rot 82:sc= 0.601 USER MOD Single : A 41 GLN : amide:sc= -1.04 K(o=-1,f=-0.035) USER MOD Single : A 42 ASN : amide:sc= -0.0439 K(o=-0.044,f=-1) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.528 USER MOD Single : A 49 GLN : amide:sc= -0.0247 X(o=-0.025,f=0) USER MOD Single : A 51 MET CE :methyl -166:sc=-0.00288 (180deg=-0.279) USER MOD Single : A 53 ASN : amide:sc= 1.07 K(o=1.1,f=-0.013) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -161:sc= -0.304 (180deg=-0.583) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.311 K(o=0.31,f=-4!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -83:sc= 0.988 USER MOD Single : A 110 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 115 LYS NZ :NH3+ 173:sc= -0.0145 (180deg=-0.0544) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.078 USER MOD Single : A 124 MET CE :methyl -177:sc= -0.208 (180deg=-0.257) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.211 K(o=-0.21,f=-7.3!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0795 X(o=-0.079,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.154 16.160 1.049 1.00 0.00 N ATOM 59 CA THR A 5 -12.825 17.317 0.542 1.00 0.00 C ATOM 60 C THR A 5 -14.103 16.943 -0.126 1.00 0.00 C ATOM 61 O THR A 5 -14.366 15.772 -0.397 1.00 0.00 O ATOM 62 CB THR A 5 -11.864 18.019 -0.370 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.015 17.185 -1.145 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.909 18.825 0.526 1.00 0.00 C ATOM 0 HA THR A 5 -13.114 17.994 1.346 1.00 0.00 H new ATOM 0 HB THR A 5 -12.484 18.589 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 5 -11.023 17.486 -2.078 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.188 19.356 -0.096 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.481 19.544 1.113 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.381 18.147 1.197 1.00 0.00 H new ATOM 72 N GLU A 6 -14.978 17.929 -0.393 1.00 0.00 N ATOM 73 CA GLU A 6 -16.333 17.646 -0.752 1.00 0.00 C ATOM 74 C GLU A 6 -16.387 16.801 -1.977 1.00 0.00 C ATOM 75 O GLU A 6 -17.205 15.889 -2.091 1.00 0.00 O ATOM 76 CB GLU A 6 -17.196 18.918 -0.806 1.00 0.00 C ATOM 77 CG GLU A 6 -17.238 19.666 0.528 1.00 0.00 C ATOM 78 CD GLU A 6 -18.183 20.858 0.464 1.00 0.00 C ATOM 79 OE1 GLU A 6 -17.749 21.991 0.123 1.00 0.00 O ATOM 80 OE2 GLU A 6 -19.365 20.702 0.870 1.00 0.00 O ATOM 0 H GLU A 6 -14.747 18.922 -0.360 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.789 17.050 0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.807 19.583 -1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.211 18.650 -1.099 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -17.559 18.987 1.318 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.236 20.007 0.788 1.00 0.00 H new ATOM 87 N GLU A 7 -15.545 16.952 -3.015 1.00 0.00 N ATOM 88 CA GLU A 7 -15.455 16.280 -4.274 1.00 0.00 C ATOM 89 C GLU A 7 -14.936 14.889 -4.154 1.00 0.00 C ATOM 90 O GLU A 7 -15.259 14.008 -4.949 1.00 0.00 O ATOM 91 CB GLU A 7 -14.609 17.016 -5.327 1.00 0.00 C ATOM 92 CG GLU A 7 -13.089 17.054 -5.160 1.00 0.00 C ATOM 93 CD GLU A 7 -12.717 18.076 -4.096 1.00 0.00 C ATOM 94 OE1 GLU A 7 -13.602 18.847 -3.637 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.524 18.022 -3.693 1.00 0.00 O ATOM 0 H GLU A 7 -14.814 17.660 -2.953 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.490 16.262 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.823 16.564 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.961 18.047 -5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.720 16.068 -4.877 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.615 17.312 -6.107 1.00 0.00 H new ATOM 102 N GLN A 8 -14.215 14.592 -3.057 1.00 0.00 N ATOM 103 CA GLN A 8 -13.834 13.258 -2.710 1.00 0.00 C ATOM 104 C GLN A 8 -14.986 12.476 -2.181 1.00 0.00 C ATOM 105 O GLN A 8 -15.215 11.337 -2.587 1.00 0.00 O ATOM 106 CB GLN A 8 -12.632 13.174 -1.756 1.00 0.00 C ATOM 107 CG GLN A 8 -11.501 14.086 -2.233 1.00 0.00 C ATOM 108 CD GLN A 8 -10.224 13.821 -1.448 1.00 0.00 C ATOM 109 OE1 GLN A 8 -9.812 14.544 -0.542 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.500 12.740 -1.845 1.00 0.00 N ATOM 0 H GLN A 8 -13.889 15.297 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.505 12.807 -3.646 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.938 13.461 -0.750 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.277 12.145 -1.699 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.320 13.923 -3.295 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.795 15.129 -2.116 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.845 12.143 -2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.612 12.526 -1.391 1.00 0.00 H new ATOM 119 N ILE A 9 -15.768 13.151 -1.319 1.00 0.00 N ATOM 120 CA ILE A 9 -16.925 12.582 -0.701 1.00 0.00 C ATOM 121 C ILE A 9 -17.994 12.280 -1.694 1.00 0.00 C ATOM 122 O ILE A 9 -18.677 11.260 -1.606 1.00 0.00 O ATOM 123 CB ILE A 9 -17.446 13.495 0.369 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.410 13.565 1.504 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.815 13.105 0.950 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.627 14.847 2.306 1.00 0.00 C ATOM 0 H ILE A 9 -15.591 14.117 -1.045 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.625 11.637 -0.248 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.600 14.463 -0.108 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.506 12.695 2.154 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.401 13.546 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.104 13.826 1.715 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.560 13.101 0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.752 12.111 1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.895 14.901 3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.510 15.710 1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.632 14.846 2.729 1.00 0.00 H new ATOM 138 N ALA A 10 -18.169 13.179 -2.678 1.00 0.00 N ATOM 139 CA ALA A 10 -19.052 12.993 -3.787 1.00 0.00 C ATOM 140 C ALA A 10 -18.572 12.044 -4.831 1.00 0.00 C ATOM 141 O ALA A 10 -19.422 11.295 -5.309 1.00 0.00 O ATOM 142 CB ALA A 10 -19.182 14.392 -4.414 1.00 0.00 C ATOM 0 H ALA A 10 -17.676 14.071 -2.702 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.982 12.555 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.846 14.344 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.593 15.084 -3.679 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.199 14.741 -4.731 1.00 0.00 H new ATOM 148 N GLU A 11 -17.271 11.875 -5.126 1.00 0.00 N ATOM 149 CA GLU A 11 -16.741 10.791 -5.894 1.00 0.00 C ATOM 150 C GLU A 11 -16.987 9.404 -5.406 1.00 0.00 C ATOM 151 O GLU A 11 -17.628 8.583 -6.060 1.00 0.00 O ATOM 152 CB GLU A 11 -15.213 10.941 -5.974 1.00 0.00 C ATOM 153 CG GLU A 11 -14.465 9.826 -6.710 1.00 0.00 C ATOM 154 CD GLU A 11 -13.158 10.396 -7.242 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.202 11.378 -8.030 1.00 0.00 O ATOM 156 OE2 GLU A 11 -12.050 9.953 -6.837 1.00 0.00 O ATOM 0 H GLU A 11 -16.552 12.528 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.275 10.878 -6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.986 11.888 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.821 11.005 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.269 8.992 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.071 9.439 -7.529 1.00 0.00 H new ATOM 163 N PHE A 12 -16.671 9.218 -4.112 1.00 0.00 N ATOM 164 CA PHE A 12 -16.883 8.099 -3.247 1.00 0.00 C ATOM 165 C PHE A 12 -18.311 7.681 -3.155 1.00 0.00 C ATOM 166 O PHE A 12 -18.612 6.495 -3.281 1.00 0.00 O ATOM 167 CB PHE A 12 -16.253 8.198 -1.848 1.00 0.00 C ATOM 168 CG PHE A 12 -14.808 8.524 -1.683 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.880 8.396 -2.688 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.319 8.988 -0.484 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.572 8.805 -2.570 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.041 9.471 -0.328 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.162 9.353 -1.378 1.00 0.00 C ATOM 0 H PHE A 12 -16.198 9.966 -3.604 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.327 7.312 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.816 8.950 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.425 7.243 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.194 7.951 -3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.971 8.972 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.883 8.698 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.735 9.933 0.599 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.143 9.693 -1.266 1.00 0.00 H new ATOM 183 N LYS A 13 -19.319 8.556 -2.993 1.00 0.00 N ATOM 184 CA LYS A 13 -20.723 8.290 -3.038 1.00 0.00 C ATOM 185 C LYS A 13 -21.243 7.806 -4.347 1.00 0.00 C ATOM 186 O LYS A 13 -21.994 6.834 -4.422 1.00 0.00 O ATOM 187 CB LYS A 13 -21.447 9.594 -2.661 1.00 0.00 C ATOM 188 CG LYS A 13 -22.973 9.494 -2.625 1.00 0.00 C ATOM 189 CD LYS A 13 -23.535 8.466 -1.641 1.00 0.00 C ATOM 190 CE LYS A 13 -25.053 8.300 -1.556 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.729 9.578 -1.239 1.00 0.00 N ATOM 0 H LYS A 13 -19.131 9.542 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.910 7.472 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.095 9.918 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.165 10.369 -3.374 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.380 10.474 -2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.329 9.248 -3.625 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.108 7.496 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.172 8.725 -0.646 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.430 7.915 -2.503 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.296 7.561 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.756 9.424 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.388 9.933 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.518 10.276 -1.981 1.00 0.00 H new ATOM 205 N GLU A 14 -20.885 8.463 -5.465 1.00 0.00 N ATOM 206 CA GLU A 14 -21.137 8.037 -6.806 1.00 0.00 C ATOM 207 C GLU A 14 -20.768 6.616 -7.062 1.00 0.00 C ATOM 208 O GLU A 14 -21.570 5.803 -7.519 1.00 0.00 O ATOM 209 CB GLU A 14 -20.461 9.000 -7.796 1.00 0.00 C ATOM 210 CG GLU A 14 -21.048 10.402 -7.971 1.00 0.00 C ATOM 211 CD GLU A 14 -22.283 10.453 -8.860 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.143 10.338 -10.106 1.00 0.00 O ATOM 213 OE2 GLU A 14 -23.394 10.690 -8.313 1.00 0.00 O ATOM 0 H GLU A 14 -20.386 9.352 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.216 8.073 -6.959 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.421 9.113 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -20.456 8.519 -8.774 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -21.303 10.802 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.283 11.054 -8.392 1.00 0.00 H new ATOM 220 N ALA A 15 -19.490 6.289 -6.803 1.00 0.00 N ATOM 221 CA ALA A 15 -18.933 4.972 -6.796 1.00 0.00 C ATOM 222 C ALA A 15 -19.672 4.037 -5.901 1.00 0.00 C ATOM 223 O ALA A 15 -19.989 2.950 -6.383 1.00 0.00 O ATOM 224 CB ALA A 15 -17.415 5.000 -6.554 1.00 0.00 C ATOM 0 H ALA A 15 -18.794 7.001 -6.582 1.00 0.00 H new ATOM 0 HA ALA A 15 -19.068 4.558 -7.795 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.027 3.981 -6.555 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.931 5.573 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.209 5.465 -5.590 1.00 0.00 H new ATOM 230 N PHE A 16 -20.079 4.461 -4.692 1.00 0.00 N ATOM 231 CA PHE A 16 -20.956 3.772 -3.797 1.00 0.00 C ATOM 232 C PHE A 16 -22.174 3.249 -4.477 1.00 0.00 C ATOM 233 O PHE A 16 -22.357 2.037 -4.581 1.00 0.00 O ATOM 234 CB PHE A 16 -21.301 4.585 -2.539 1.00 0.00 C ATOM 235 CG PHE A 16 -21.896 3.685 -1.511 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.255 3.508 -1.400 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.052 3.234 -0.524 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.736 2.852 -0.291 1.00 0.00 C ATOM 239 CE2 PHE A 16 -21.546 2.598 0.590 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.900 2.384 0.695 1.00 0.00 C ATOM 0 H PHE A 16 -19.770 5.356 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.393 2.905 -3.450 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.404 5.062 -2.144 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.002 5.382 -2.789 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.926 3.874 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.987 3.381 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.801 2.700 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.879 2.270 1.373 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.303 1.853 1.545 1.00 0.00 H new ATOM 250 N SER A 17 -23.107 4.098 -4.945 1.00 0.00 N ATOM 251 CA SER A 17 -24.359 3.744 -5.538 1.00 0.00 C ATOM 252 C SER A 17 -24.203 3.102 -6.874 1.00 0.00 C ATOM 253 O SER A 17 -25.124 2.590 -7.508 1.00 0.00 O ATOM 254 CB SER A 17 -25.342 4.916 -5.699 1.00 0.00 C ATOM 255 OG SER A 17 -25.059 5.741 -4.578 1.00 0.00 O ATOM 0 H SER A 17 -22.974 5.109 -4.905 1.00 0.00 H new ATOM 0 HA SER A 17 -24.776 3.037 -4.821 1.00 0.00 H new ATOM 0 HB2 SER A 17 -25.184 5.446 -6.638 1.00 0.00 H new ATOM 0 HB3 SER A 17 -26.377 4.575 -5.696 1.00 0.00 H new ATOM 0 HG SER A 17 -25.644 6.527 -4.595 1.00 0.00 H new ATOM 261 N LEU A 18 -23.008 3.037 -7.487 1.00 0.00 N ATOM 262 CA LEU A 18 -22.646 2.134 -8.536 1.00 0.00 C ATOM 263 C LEU A 18 -22.316 0.794 -7.974 1.00 0.00 C ATOM 264 O LEU A 18 -22.649 -0.147 -8.693 1.00 0.00 O ATOM 265 CB LEU A 18 -21.567 2.617 -9.519 1.00 0.00 C ATOM 266 CG LEU A 18 -21.728 3.882 -10.380 1.00 0.00 C ATOM 267 CD1 LEU A 18 -20.484 3.973 -11.279 1.00 0.00 C ATOM 268 CD2 LEU A 18 -23.079 3.803 -11.110 1.00 0.00 C ATOM 0 H LEU A 18 -22.241 3.659 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 18 -23.536 2.073 -9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -20.655 2.752 -8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -21.385 1.793 -10.209 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.768 4.810 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -20.555 4.859 -11.910 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -19.591 4.040 -10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -20.423 3.084 -11.907 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -23.212 4.692 -11.726 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -23.099 2.916 -11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.885 3.745 -10.378 1.00 0.00 H new ATOM 280 N PHE A 19 -21.726 0.533 -6.795 1.00 0.00 N ATOM 281 CA PHE A 19 -21.310 -0.710 -6.224 1.00 0.00 C ATOM 282 C PHE A 19 -22.556 -1.356 -5.725 1.00 0.00 C ATOM 283 O PHE A 19 -22.645 -2.573 -5.573 1.00 0.00 O ATOM 284 CB PHE A 19 -20.214 -0.637 -5.148 1.00 0.00 C ATOM 285 CG PHE A 19 -18.908 -0.215 -5.727 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.343 -0.568 -6.931 1.00 0.00 C ATOM 287 CD2 PHE A 19 -18.111 0.535 -4.894 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.203 0.011 -7.436 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.990 1.178 -5.363 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.530 0.897 -6.628 1.00 0.00 C ATOM 0 H PHE A 19 -21.514 1.302 -6.159 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.808 -1.296 -6.994 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.512 0.066 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -20.104 -1.611 -4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.822 -1.343 -7.511 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.371 0.621 -3.849 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.849 -0.221 -8.430 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.475 1.897 -4.743 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.632 1.376 -6.990 1.00 0.00 H new ATOM 300 N ASP A 20 -23.548 -0.593 -5.232 1.00 0.00 N ATOM 301 CA ASP A 20 -24.845 -1.036 -4.825 1.00 0.00 C ATOM 302 C ASP A 20 -25.713 -1.475 -5.955 1.00 0.00 C ATOM 303 O ASP A 20 -26.086 -0.670 -6.806 1.00 0.00 O ATOM 304 CB ASP A 20 -25.633 0.044 -4.066 1.00 0.00 C ATOM 305 CG ASP A 20 -26.602 -0.518 -3.035 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.878 -1.747 -3.055 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.125 0.264 -2.196 1.00 0.00 O ATOM 0 H ASP A 20 -23.432 0.413 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.623 -1.884 -4.177 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.930 0.710 -3.566 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.189 0.647 -4.783 1.00 0.00 H new ATOM 312 N LYS A 21 -26.098 -2.764 -5.974 1.00 0.00 N ATOM 313 CA LYS A 21 -26.867 -3.220 -7.090 1.00 0.00 C ATOM 314 C LYS A 21 -28.335 -3.125 -6.856 1.00 0.00 C ATOM 315 O LYS A 21 -29.110 -2.511 -7.588 1.00 0.00 O ATOM 316 CB LYS A 21 -26.470 -4.660 -7.456 1.00 0.00 C ATOM 317 CG LYS A 21 -25.058 -4.788 -8.031 1.00 0.00 C ATOM 318 CD LYS A 21 -25.042 -5.007 -9.545 1.00 0.00 C ATOM 319 CE LYS A 21 -23.622 -5.314 -10.025 1.00 0.00 C ATOM 320 NZ LYS A 21 -23.607 -5.156 -11.496 1.00 0.00 N ATOM 0 H LYS A 21 -25.891 -3.459 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.640 -2.558 -7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.547 -5.285 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -27.184 -5.050 -8.182 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.493 -3.886 -7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.548 -5.620 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.707 -5.830 -9.807 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.420 -4.119 -10.051 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.905 -4.638 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -23.333 -6.327 -9.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -22.653 -5.358 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.286 -5.818 -11.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -23.871 -4.181 -11.743 1.00 0.00 H new ATOM 334 N ASP A 22 -28.747 -3.630 -5.679 1.00 0.00 N ATOM 335 CA ASP A 22 -30.052 -3.679 -5.097 1.00 0.00 C ATOM 336 C ASP A 22 -30.539 -2.327 -4.701 1.00 0.00 C ATOM 337 O ASP A 22 -31.738 -2.081 -4.587 1.00 0.00 O ATOM 338 CB ASP A 22 -30.160 -4.712 -3.963 1.00 0.00 C ATOM 339 CG ASP A 22 -28.971 -4.736 -3.013 1.00 0.00 C ATOM 340 OD1 ASP A 22 -27.852 -4.927 -3.560 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.073 -4.387 -1.806 1.00 0.00 O ATOM 0 H ASP A 22 -28.066 -4.062 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.727 -4.032 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.064 -4.508 -3.388 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.278 -5.703 -4.402 1.00 0.00 H new ATOM 346 N GLY A 23 -29.638 -1.426 -4.270 1.00 0.00 N ATOM 347 CA GLY A 23 -29.953 -0.124 -3.769 1.00 0.00 C ATOM 348 C GLY A 23 -30.374 0.015 -2.346 1.00 0.00 C ATOM 349 O GLY A 23 -31.281 0.793 -2.053 1.00 0.00 O ATOM 0 H GLY A 23 -28.636 -1.617 -4.271 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.077 0.508 -3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.750 0.285 -4.390 1.00 0.00 H new ATOM 353 N ASP A 24 -29.801 -0.771 -1.418 1.00 0.00 N ATOM 354 CA ASP A 24 -30.274 -0.721 -0.069 1.00 0.00 C ATOM 355 C ASP A 24 -29.633 0.420 0.644 1.00 0.00 C ATOM 356 O ASP A 24 -30.285 1.067 1.462 1.00 0.00 O ATOM 357 CB ASP A 24 -30.077 -1.991 0.774 1.00 0.00 C ATOM 358 CG ASP A 24 -28.630 -2.457 0.851 1.00 0.00 C ATOM 359 OD1 ASP A 24 -27.834 -2.292 -0.112 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.282 -3.059 1.902 1.00 0.00 O ATOM 0 H ASP A 24 -29.035 -1.422 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.353 -0.605 -0.171 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.444 -1.807 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -30.686 -2.792 0.355 1.00 0.00 H new ATOM 365 N GLY A 25 -28.433 0.812 0.181 1.00 0.00 N ATOM 366 CA GLY A 25 -27.635 1.747 0.912 1.00 0.00 C ATOM 367 C GLY A 25 -26.417 1.169 1.546 1.00 0.00 C ATOM 368 O GLY A 25 -25.695 1.885 2.239 1.00 0.00 O ATOM 0 H GLY A 25 -28.018 0.485 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.331 2.548 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.251 2.200 1.689 1.00 0.00 H new ATOM 372 N THR A 26 -26.141 -0.135 1.362 1.00 0.00 N ATOM 373 CA THR A 26 -24.934 -0.749 1.821 1.00 0.00 C ATOM 374 C THR A 26 -24.323 -1.578 0.744 1.00 0.00 C ATOM 375 O THR A 26 -24.926 -1.958 -0.258 1.00 0.00 O ATOM 376 CB THR A 26 -25.107 -1.700 2.968 1.00 0.00 C ATOM 377 OG1 THR A 26 -25.754 -2.927 2.661 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.880 -1.025 4.114 1.00 0.00 C ATOM 0 H THR A 26 -26.772 -0.777 0.883 1.00 0.00 H new ATOM 0 HA THR A 26 -24.322 0.098 2.132 1.00 0.00 H new ATOM 0 HB THR A 26 -24.086 -1.953 3.254 1.00 0.00 H new ATOM 0 HG1 THR A 26 -26.683 -2.752 2.404 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.997 -1.729 4.938 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.329 -0.150 4.459 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.863 -0.717 3.758 1.00 0.00 H new ATOM 386 N ILE A 27 -23.019 -1.872 0.887 1.00 0.00 N ATOM 387 CA ILE A 27 -22.213 -2.777 0.128 1.00 0.00 C ATOM 388 C ILE A 27 -22.137 -4.007 0.966 1.00 0.00 C ATOM 389 O ILE A 27 -21.912 -3.952 2.174 1.00 0.00 O ATOM 390 CB ILE A 27 -20.872 -2.246 -0.283 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.899 -0.730 -0.542 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.663 -2.962 -1.628 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.617 -0.076 -1.055 1.00 0.00 C ATOM 0 H ILE A 27 -22.470 -1.422 1.619 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.666 -2.969 -0.845 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.107 -2.410 0.476 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.691 -0.527 -1.263 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.179 -0.235 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.705 -2.665 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.671 -4.041 -1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.465 -2.689 -2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.783 0.993 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.816 -0.229 -0.332 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.336 -0.524 -2.008 1.00 0.00 H new ATOM 405 N THR A 28 -22.362 -5.165 0.319 1.00 0.00 N ATOM 406 CA THR A 28 -22.153 -6.468 0.870 1.00 0.00 C ATOM 407 C THR A 28 -20.857 -7.024 0.389 1.00 0.00 C ATOM 408 O THR A 28 -20.167 -6.542 -0.508 1.00 0.00 O ATOM 409 CB THR A 28 -23.315 -7.405 0.714 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.687 -7.551 -0.648 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.517 -6.868 1.510 1.00 0.00 C ATOM 0 H THR A 28 -22.708 -5.193 -0.640 1.00 0.00 H new ATOM 0 HA THR A 28 -22.086 -6.353 1.952 1.00 0.00 H new ATOM 0 HB THR A 28 -23.013 -8.381 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.937 -6.677 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.361 -7.548 1.397 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.251 -6.792 2.564 1.00 0.00 H new ATOM 0 HG23 THR A 28 -24.792 -5.883 1.133 1.00 0.00 H new ATOM 419 N THR A 29 -20.501 -8.144 1.043 1.00 0.00 N ATOM 420 CA THR A 29 -19.447 -9.001 0.597 1.00 0.00 C ATOM 421 C THR A 29 -19.575 -9.492 -0.804 1.00 0.00 C ATOM 422 O THR A 29 -18.517 -9.634 -1.416 1.00 0.00 O ATOM 423 CB THR A 29 -19.248 -10.122 1.573 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.402 -10.938 1.707 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.823 -9.663 2.978 1.00 0.00 C ATOM 0 H THR A 29 -20.955 -8.461 1.900 1.00 0.00 H new ATOM 0 HA THR A 29 -18.551 -8.381 0.568 1.00 0.00 H new ATOM 0 HB THR A 29 -18.431 -10.697 1.137 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.223 -11.654 2.351 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.700 -10.533 3.623 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.879 -9.122 2.914 1.00 0.00 H new ATOM 0 HG23 THR A 29 -19.589 -9.008 3.394 1.00 0.00 H new ATOM 433 N LYS A 30 -20.802 -9.854 -1.217 1.00 0.00 N ATOM 434 CA LYS A 30 -20.982 -10.344 -2.549 1.00 0.00 C ATOM 435 C LYS A 30 -20.774 -9.358 -3.647 1.00 0.00 C ATOM 436 O LYS A 30 -20.288 -9.662 -4.736 1.00 0.00 O ATOM 437 CB LYS A 30 -22.398 -10.932 -2.659 1.00 0.00 C ATOM 438 CG LYS A 30 -22.612 -12.281 -1.968 1.00 0.00 C ATOM 439 CD LYS A 30 -24.066 -12.758 -1.982 1.00 0.00 C ATOM 440 CE LYS A 30 -24.894 -12.875 -3.263 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.224 -13.352 -2.822 1.00 0.00 N ATOM 0 H LYS A 30 -21.648 -9.810 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.198 -11.087 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.103 -10.214 -2.240 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.645 -11.042 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.989 -13.031 -2.455 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.273 -12.207 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.072 -13.745 -1.519 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.616 -12.091 -1.318 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -24.969 -11.914 -3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -24.438 -13.573 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.847 -13.456 -3.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.123 -14.271 -2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.638 -12.664 -2.161 1.00 0.00 H new ATOM 455 N GLU A 31 -21.318 -8.150 -3.416 1.00 0.00 N ATOM 456 CA GLU A 31 -21.067 -6.906 -4.074 1.00 0.00 C ATOM 457 C GLU A 31 -19.671 -6.393 -4.174 1.00 0.00 C ATOM 458 O GLU A 31 -19.180 -6.104 -5.264 1.00 0.00 O ATOM 459 CB GLU A 31 -21.876 -5.734 -3.494 1.00 0.00 C ATOM 460 CG GLU A 31 -23.376 -5.913 -3.733 1.00 0.00 C ATOM 461 CD GLU A 31 -24.245 -4.978 -2.903 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.288 -5.038 -1.645 1.00 0.00 O ATOM 463 OE2 GLU A 31 -24.996 -4.139 -3.470 1.00 0.00 O ATOM 0 H GLU A 31 -22.015 -8.036 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.372 -7.213 -5.075 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -21.685 -5.653 -2.424 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.543 -4.801 -3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.588 -5.749 -4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.650 -6.944 -3.509 1.00 0.00 H new ATOM 470 N LEU A 32 -18.977 -6.316 -3.025 1.00 0.00 N ATOM 471 CA LEU A 32 -17.613 -5.887 -3.046 1.00 0.00 C ATOM 472 C LEU A 32 -16.785 -6.964 -3.659 1.00 0.00 C ATOM 473 O LEU A 32 -15.741 -6.667 -4.238 1.00 0.00 O ATOM 474 CB LEU A 32 -17.064 -5.349 -1.713 1.00 0.00 C ATOM 475 CG LEU A 32 -16.064 -4.184 -1.794 1.00 0.00 C ATOM 476 CD1 LEU A 32 -16.770 -2.817 -1.788 1.00 0.00 C ATOM 477 CD2 LEU A 32 -15.053 -4.218 -0.637 1.00 0.00 C ATOM 0 H LEU A 32 -19.348 -6.544 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.558 -4.994 -3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.908 -5.030 -1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.583 -6.173 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 32 -15.537 -4.311 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.026 -2.023 -1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.440 -2.750 -2.645 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.345 -2.708 -0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.364 -3.378 -0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.584 -4.147 0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.493 -5.152 -0.671 1.00 0.00 H new ATOM 489 N GLY A 33 -17.234 -8.232 -3.632 1.00 0.00 N ATOM 490 CA GLY A 33 -16.714 -9.221 -4.524 1.00 0.00 C ATOM 491 C GLY A 33 -16.820 -8.851 -5.963 1.00 0.00 C ATOM 492 O GLY A 33 -15.870 -9.149 -6.686 1.00 0.00 O ATOM 0 H GLY A 33 -17.955 -8.571 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.667 -9.400 -4.281 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.244 -10.159 -4.360 1.00 0.00 H new ATOM 496 N THR A 34 -17.875 -8.232 -6.522 1.00 0.00 N ATOM 497 CA THR A 34 -18.014 -7.835 -7.889 1.00 0.00 C ATOM 498 C THR A 34 -17.060 -6.772 -8.310 1.00 0.00 C ATOM 499 O THR A 34 -16.651 -6.651 -9.464 1.00 0.00 O ATOM 500 CB THR A 34 -19.402 -7.395 -8.251 1.00 0.00 C ATOM 501 OG1 THR A 34 -20.268 -8.491 -7.998 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.628 -7.200 -9.760 1.00 0.00 C ATOM 0 H THR A 34 -18.698 -7.990 -5.971 1.00 0.00 H new ATOM 0 HA THR A 34 -17.779 -8.751 -8.431 1.00 0.00 H new ATOM 0 HB THR A 34 -19.568 -6.470 -7.698 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.188 -8.239 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.656 -6.882 -9.936 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.944 -6.439 -10.135 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.445 -8.140 -10.280 1.00 0.00 H new ATOM 510 N VAL A 35 -16.662 -5.913 -7.354 1.00 0.00 N ATOM 511 CA VAL A 35 -15.652 -4.930 -7.598 1.00 0.00 C ATOM 512 C VAL A 35 -14.353 -5.579 -7.929 1.00 0.00 C ATOM 513 O VAL A 35 -13.834 -5.403 -9.030 1.00 0.00 O ATOM 514 CB VAL A 35 -15.535 -4.002 -6.425 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.715 -2.747 -6.769 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.936 -3.431 -6.147 1.00 0.00 C ATOM 0 H VAL A 35 -17.042 -5.900 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.941 -4.333 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.084 -4.565 -5.608 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.654 -2.101 -5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.711 -3.041 -7.074 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.199 -2.208 -7.584 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.889 -2.750 -5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.290 -2.892 -7.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.623 -4.246 -5.921 1.00 0.00 H new ATOM 526 N MET A 36 -13.850 -6.415 -7.003 1.00 0.00 N ATOM 527 CA MET A 36 -12.634 -7.167 -7.029 1.00 0.00 C ATOM 528 C MET A 36 -12.646 -8.125 -8.170 1.00 0.00 C ATOM 529 O MET A 36 -11.629 -8.227 -8.855 1.00 0.00 O ATOM 530 CB MET A 36 -12.424 -7.969 -5.733 1.00 0.00 C ATOM 531 CG MET A 36 -12.102 -7.145 -4.485 1.00 0.00 C ATOM 532 SD MET A 36 -10.532 -6.231 -4.559 1.00 0.00 S ATOM 533 CE MET A 36 -9.626 -7.678 -3.940 1.00 0.00 C ATOM 0 H MET A 36 -14.359 -6.581 -6.135 1.00 0.00 H new ATOM 0 HA MET A 36 -11.821 -6.448 -7.136 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.325 -8.551 -5.538 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.614 -8.680 -5.895 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.912 -6.435 -4.317 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.078 -7.812 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.563 -7.444 -3.880 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.996 -7.942 -2.949 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.775 -8.518 -4.618 1.00 0.00 H new ATOM 543 N ARG A 37 -13.699 -8.909 -8.463 1.00 0.00 N ATOM 544 CA ARG A 37 -13.757 -9.856 -9.533 1.00 0.00 C ATOM 545 C ARG A 37 -13.741 -9.235 -10.887 1.00 0.00 C ATOM 546 O ARG A 37 -13.250 -9.800 -11.864 1.00 0.00 O ATOM 547 CB ARG A 37 -14.843 -10.914 -9.274 1.00 0.00 C ATOM 548 CG ARG A 37 -14.332 -12.320 -9.594 1.00 0.00 C ATOM 549 CD ARG A 37 -15.274 -13.450 -9.174 1.00 0.00 C ATOM 550 NE ARG A 37 -14.405 -14.614 -9.504 1.00 0.00 N ATOM 551 CZ ARG A 37 -13.821 -15.483 -8.629 1.00 0.00 C ATOM 552 NH1 ARG A 37 -13.548 -15.235 -7.314 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.314 -16.621 -9.187 1.00 0.00 N ATOM 0 H ARG A 37 -14.562 -8.879 -7.920 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.821 -10.415 -9.544 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -15.159 -10.867 -8.232 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.720 -10.695 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -14.154 -12.392 -10.667 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.370 -12.464 -9.101 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.537 -13.408 -8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -16.208 -13.450 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.227 -14.780 -10.494 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.785 -14.331 -6.906 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.107 -15.954 -6.740 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.388 -16.772 -10.193 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.862 -17.320 -8.598 1.00 0.00 H new ATOM 567 N SER A 38 -14.304 -8.017 -10.974 1.00 0.00 N ATOM 568 CA SER A 38 -14.161 -7.306 -12.206 1.00 0.00 C ATOM 569 C SER A 38 -12.791 -6.865 -12.592 1.00 0.00 C ATOM 570 O SER A 38 -12.465 -6.485 -13.716 1.00 0.00 O ATOM 571 CB SER A 38 -15.062 -6.067 -12.352 1.00 0.00 C ATOM 572 OG SER A 38 -16.428 -6.453 -12.355 1.00 0.00 O ATOM 0 H SER A 38 -14.829 -7.545 -10.238 1.00 0.00 H new ATOM 0 HA SER A 38 -14.471 -8.106 -12.879 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.874 -5.373 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.823 -5.541 -13.276 1.00 0.00 H new ATOM 0 HG SER A 38 -16.733 -6.584 -11.433 1.00 0.00 H new ATOM 578 N LEU A 39 -11.881 -6.854 -11.602 1.00 0.00 N ATOM 579 CA LEU A 39 -10.540 -6.481 -11.931 1.00 0.00 C ATOM 580 C LEU A 39 -9.666 -7.670 -12.142 1.00 0.00 C ATOM 581 O LEU A 39 -8.456 -7.616 -12.358 1.00 0.00 O ATOM 582 CB LEU A 39 -9.853 -5.663 -10.825 1.00 0.00 C ATOM 583 CG LEU A 39 -10.609 -4.361 -10.513 1.00 0.00 C ATOM 584 CD1 LEU A 39 -9.881 -3.525 -9.447 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.841 -3.531 -11.787 1.00 0.00 C ATOM 0 H LEU A 39 -12.057 -7.089 -10.625 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.647 -5.889 -12.840 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.782 -6.266 -9.920 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.834 -5.426 -11.130 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.581 -4.643 -10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.445 -2.613 -9.253 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.797 -4.103 -8.526 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.885 -3.266 -9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.378 -2.617 -11.533 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.881 -3.275 -12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.429 -4.112 -12.497 1.00 0.00 H new ATOM 597 N GLY A 40 -10.135 -8.929 -12.096 1.00 0.00 N ATOM 598 CA GLY A 40 -9.593 -10.242 -12.260 1.00 0.00 C ATOM 599 C GLY A 40 -8.945 -10.692 -10.996 1.00 0.00 C ATOM 600 O GLY A 40 -8.039 -11.522 -11.061 1.00 0.00 O ATOM 0 H GLY A 40 -11.130 -9.034 -11.896 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.384 -10.938 -12.539 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.865 -10.244 -13.071 1.00 0.00 H new ATOM 604 N GLN A 41 -9.423 -10.169 -9.853 1.00 0.00 N ATOM 605 CA GLN A 41 -9.018 -10.611 -8.555 1.00 0.00 C ATOM 606 C GLN A 41 -9.905 -11.679 -8.014 1.00 0.00 C ATOM 607 O GLN A 41 -10.986 -11.949 -8.536 1.00 0.00 O ATOM 608 CB GLN A 41 -8.912 -9.470 -7.530 1.00 0.00 C ATOM 609 CG GLN A 41 -8.040 -8.301 -7.995 1.00 0.00 C ATOM 610 CD GLN A 41 -6.546 -8.557 -7.854 1.00 0.00 C ATOM 611 OE1 GLN A 41 -5.754 -7.864 -8.489 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.084 -9.459 -6.946 1.00 0.00 N ATOM 0 H GLN A 41 -10.111 -9.417 -9.831 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.020 -11.023 -8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.913 -9.099 -7.308 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.506 -9.867 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.265 -8.084 -9.039 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.303 -7.412 -7.421 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.741 -10.034 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.081 -9.560 -6.792 1.00 0.00 H new ATOM 621 N ASN A 42 -9.516 -12.321 -6.899 1.00 0.00 N ATOM 622 CA ASN A 42 -10.096 -13.511 -6.360 1.00 0.00 C ATOM 623 C ASN A 42 -9.897 -13.502 -4.883 1.00 0.00 C ATOM 624 O ASN A 42 -9.152 -14.385 -4.463 1.00 0.00 O ATOM 625 CB ASN A 42 -9.551 -14.806 -6.985 1.00 0.00 C ATOM 626 CG ASN A 42 -8.080 -14.887 -7.370 1.00 0.00 C ATOM 627 OD1 ASN A 42 -7.496 -14.030 -8.031 1.00 0.00 O ATOM 628 ND2 ASN A 42 -7.406 -15.955 -6.865 1.00 0.00 N ATOM 0 H ASN A 42 -8.738 -11.982 -6.333 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.158 -13.507 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.751 -15.617 -6.285 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.136 -15.008 -7.882 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.405 -16.052 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.902 -16.659 -6.318 1.00 0.00 H new ATOM 635 N PRO A 43 -10.456 -12.752 -3.980 1.00 0.00 N ATOM 636 CA PRO A 43 -10.454 -13.059 -2.579 1.00 0.00 C ATOM 637 C PRO A 43 -11.272 -14.275 -2.308 1.00 0.00 C ATOM 638 O PRO A 43 -12.087 -14.591 -3.173 1.00 0.00 O ATOM 639 CB PRO A 43 -11.074 -11.833 -1.913 1.00 0.00 C ATOM 640 CG PRO A 43 -11.970 -11.238 -3.011 1.00 0.00 C ATOM 641 CD PRO A 43 -11.124 -11.493 -4.269 1.00 0.00 C ATOM 0 HA PRO A 43 -9.453 -13.270 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.651 -12.106 -1.029 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.312 -11.124 -1.590 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.940 -11.733 -3.062 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.161 -10.177 -2.854 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.745 -11.564 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.408 -10.689 -4.441 1.00 0.00 H new ATOM 649 N THR A 44 -11.208 -14.849 -1.093 1.00 0.00 N ATOM 650 CA THR A 44 -12.121 -15.851 -0.637 1.00 0.00 C ATOM 651 C THR A 44 -13.238 -15.107 0.011 1.00 0.00 C ATOM 652 O THR A 44 -13.398 -13.887 0.033 1.00 0.00 O ATOM 653 CB THR A 44 -11.473 -16.853 0.272 1.00 0.00 C ATOM 654 OG1 THR A 44 -11.016 -16.251 1.474 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.345 -17.615 -0.444 1.00 0.00 C ATOM 0 H THR A 44 -10.496 -14.607 -0.404 1.00 0.00 H new ATOM 0 HA THR A 44 -12.488 -16.460 -1.463 1.00 0.00 H new ATOM 0 HB THR A 44 -12.235 -17.582 0.547 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.601 -16.932 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.897 -18.333 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.753 -18.144 -1.306 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.584 -16.909 -0.778 1.00 0.00 H new ATOM 663 N GLU A 45 -14.154 -15.874 0.628 1.00 0.00 N ATOM 664 CA GLU A 45 -15.293 -15.345 1.313 1.00 0.00 C ATOM 665 C GLU A 45 -15.061 -15.144 2.771 1.00 0.00 C ATOM 666 O GLU A 45 -15.620 -14.245 3.397 1.00 0.00 O ATOM 667 CB GLU A 45 -16.515 -16.242 1.058 1.00 0.00 C ATOM 668 CG GLU A 45 -16.867 -16.083 -0.423 1.00 0.00 C ATOM 669 CD GLU A 45 -18.214 -16.732 -0.707 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.218 -16.394 -0.026 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.253 -17.714 -1.497 1.00 0.00 O ATOM 0 H GLU A 45 -14.101 -16.892 0.651 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.484 -14.351 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.289 -17.282 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.352 -15.946 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.900 -15.026 -0.687 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.095 -16.542 -1.041 1.00 0.00 H new ATOM 678 N ALA A 46 -14.058 -15.829 3.350 1.00 0.00 N ATOM 679 CA ALA A 46 -13.556 -15.369 4.607 1.00 0.00 C ATOM 680 C ALA A 46 -12.793 -14.090 4.581 1.00 0.00 C ATOM 681 O ALA A 46 -12.852 -13.242 5.470 1.00 0.00 O ATOM 682 CB ALA A 46 -12.916 -16.582 5.304 1.00 0.00 C ATOM 0 H ALA A 46 -13.612 -16.664 2.970 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.373 -15.013 5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.517 -16.277 6.272 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.669 -17.357 5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.108 -16.973 4.685 1.00 0.00 H new ATOM 688 N GLU A 47 -12.016 -13.905 3.498 1.00 0.00 N ATOM 689 CA GLU A 47 -11.203 -12.730 3.439 1.00 0.00 C ATOM 690 C GLU A 47 -12.044 -11.519 3.223 1.00 0.00 C ATOM 691 O GLU A 47 -11.753 -10.468 3.791 1.00 0.00 O ATOM 692 CB GLU A 47 -10.165 -12.857 2.311 1.00 0.00 C ATOM 693 CG GLU A 47 -9.144 -13.978 2.509 1.00 0.00 C ATOM 694 CD GLU A 47 -8.343 -14.195 1.233 1.00 0.00 C ATOM 695 OE1 GLU A 47 -7.668 -13.247 0.751 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.504 -15.261 0.580 1.00 0.00 O ATOM 0 H GLU A 47 -11.950 -14.535 2.699 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.682 -12.626 4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.689 -13.023 1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.632 -11.911 2.217 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.472 -13.726 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.655 -14.900 2.787 1.00 0.00 H new ATOM 703 N LEU A 48 -13.104 -11.662 2.407 1.00 0.00 N ATOM 704 CA LEU A 48 -13.963 -10.552 2.133 1.00 0.00 C ATOM 705 C LEU A 48 -14.820 -10.252 3.314 1.00 0.00 C ATOM 706 O LEU A 48 -14.862 -9.098 3.736 1.00 0.00 O ATOM 707 CB LEU A 48 -14.879 -10.944 0.962 1.00 0.00 C ATOM 708 CG LEU A 48 -14.325 -10.458 -0.388 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.241 -11.007 -1.494 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.163 -8.929 -0.423 1.00 0.00 C ATOM 0 H LEU A 48 -13.364 -12.532 1.943 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.360 -9.675 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.994 -12.028 0.938 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.871 -10.522 1.120 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.316 -10.839 -0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.874 -10.679 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.245 -12.096 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.255 -10.635 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -13.769 -8.627 -1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.132 -8.457 -0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.473 -8.618 0.361 1.00 0.00 H new ATOM 722 N GLN A 49 -15.383 -11.264 3.999 1.00 0.00 N ATOM 723 CA GLN A 49 -16.144 -10.996 5.179 1.00 0.00 C ATOM 724 C GLN A 49 -15.457 -10.276 6.288 1.00 0.00 C ATOM 725 O GLN A 49 -15.931 -9.282 6.836 1.00 0.00 O ATOM 726 CB GLN A 49 -16.718 -12.321 5.707 1.00 0.00 C ATOM 727 CG GLN A 49 -17.835 -12.266 6.752 1.00 0.00 C ATOM 728 CD GLN A 49 -18.686 -13.524 6.844 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.644 -13.783 6.118 1.00 0.00 O ATOM 730 NE2 GLN A 49 -18.294 -14.253 7.924 1.00 0.00 N ATOM 0 H GLN A 49 -15.314 -12.249 3.742 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.912 -10.295 4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.091 -12.885 4.852 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.894 -12.894 6.132 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.391 -12.073 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.485 -11.421 6.525 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -17.483 -13.961 8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.811 -15.092 8.188 1.00 0.00 H new ATOM 739 N ASP A 50 -14.256 -10.753 6.662 1.00 0.00 N ATOM 740 CA ASP A 50 -13.488 -10.201 7.734 1.00 0.00 C ATOM 741 C ASP A 50 -13.091 -8.786 7.487 1.00 0.00 C ATOM 742 O ASP A 50 -13.223 -7.934 8.365 1.00 0.00 O ATOM 743 CB ASP A 50 -12.416 -11.264 8.025 1.00 0.00 C ATOM 744 CG ASP A 50 -11.588 -10.911 9.252 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.968 -9.815 9.193 1.00 0.00 O ATOM 746 OD2 ASP A 50 -11.514 -11.765 10.175 1.00 0.00 O ATOM 0 H ASP A 50 -13.806 -11.546 6.205 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.034 -10.037 8.663 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.895 -12.231 8.176 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.760 -11.365 7.160 1.00 0.00 H new ATOM 751 N MET A 51 -12.579 -8.391 6.308 1.00 0.00 N ATOM 752 CA MET A 51 -12.406 -7.025 5.921 1.00 0.00 C ATOM 753 C MET A 51 -13.609 -6.155 5.794 1.00 0.00 C ATOM 754 O MET A 51 -13.430 -4.947 5.939 1.00 0.00 O ATOM 755 CB MET A 51 -11.698 -6.978 4.556 1.00 0.00 C ATOM 756 CG MET A 51 -10.232 -7.417 4.581 1.00 0.00 C ATOM 757 SD MET A 51 -9.421 -6.782 3.083 1.00 0.00 S ATOM 758 CE MET A 51 -10.175 -7.958 1.923 1.00 0.00 C ATOM 0 H MET A 51 -12.272 -9.052 5.594 1.00 0.00 H new ATOM 0 HA MET A 51 -11.845 -6.617 6.762 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.242 -7.614 3.858 1.00 0.00 H new ATOM 0 HB3 MET A 51 -11.752 -5.961 4.169 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.736 -7.034 5.473 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.162 -8.504 4.619 1.00 0.00 H new ATOM 0 HE1 MET A 51 -9.641 -7.925 0.973 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.118 -8.965 2.337 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.219 -7.691 1.761 1.00 0.00 H new ATOM 768 N ILE A 52 -14.809 -6.618 5.403 1.00 0.00 N ATOM 769 CA ILE A 52 -16.067 -5.940 5.447 1.00 0.00 C ATOM 770 C ILE A 52 -16.439 -5.664 6.864 1.00 0.00 C ATOM 771 O ILE A 52 -16.895 -4.565 7.175 1.00 0.00 O ATOM 772 CB ILE A 52 -17.111 -6.698 4.682 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.347 -6.158 3.262 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.491 -6.681 5.361 1.00 0.00 C ATOM 775 CD1 ILE A 52 -16.117 -6.323 2.371 1.00 0.00 C ATOM 0 H ILE A 52 -14.905 -7.558 5.019 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.987 -4.974 4.949 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.699 -7.707 4.650 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.192 -6.679 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -17.616 -5.103 3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.201 -7.247 4.757 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.415 -7.132 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.836 -5.652 5.457 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -16.331 -5.927 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -15.278 -5.779 2.805 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -15.863 -7.380 2.293 1.00 0.00 H new ATOM 787 N ASN A 53 -16.323 -6.596 7.826 1.00 0.00 N ATOM 788 CA ASN A 53 -16.565 -6.298 9.203 1.00 0.00 C ATOM 789 C ASN A 53 -15.580 -5.446 9.926 1.00 0.00 C ATOM 790 O ASN A 53 -16.025 -4.841 10.901 1.00 0.00 O ATOM 791 CB ASN A 53 -16.743 -7.618 9.972 1.00 0.00 C ATOM 792 CG ASN A 53 -18.101 -8.170 9.563 1.00 0.00 C ATOM 793 OD1 ASN A 53 -19.074 -8.026 10.301 1.00 0.00 O ATOM 794 ND2 ASN A 53 -18.170 -8.889 8.410 1.00 0.00 N ATOM 0 H ASN A 53 -16.059 -7.565 7.647 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.461 -5.678 9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.947 -8.321 9.727 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.699 -7.450 11.048 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -19.048 -9.329 8.135 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.343 -8.988 7.821 1.00 0.00 H new ATOM 801 N GLU A 54 -14.301 -5.304 9.533 1.00 0.00 N ATOM 802 CA GLU A 54 -13.361 -4.305 9.936 1.00 0.00 C ATOM 803 C GLU A 54 -13.897 -2.918 10.025 1.00 0.00 C ATOM 804 O GLU A 54 -14.058 -2.300 11.077 1.00 0.00 O ATOM 805 CB GLU A 54 -12.120 -4.451 9.039 1.00 0.00 C ATOM 806 CG GLU A 54 -11.010 -3.416 9.232 1.00 0.00 C ATOM 807 CD GLU A 54 -10.561 -3.125 10.657 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.081 -4.095 11.302 1.00 0.00 O ATOM 809 OE2 GLU A 54 -10.624 -1.928 11.046 1.00 0.00 O ATOM 0 H GLU A 54 -13.887 -5.956 8.866 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.089 -4.483 10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.695 -5.441 9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.445 -4.413 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.139 -3.747 8.666 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.343 -2.479 8.786 1.00 0.00 H new ATOM 816 N VAL A 55 -14.357 -2.471 8.843 1.00 0.00 N ATOM 817 CA VAL A 55 -14.941 -1.175 8.688 1.00 0.00 C ATOM 818 C VAL A 55 -16.405 -1.127 8.958 1.00 0.00 C ATOM 819 O VAL A 55 -17.079 -0.241 8.434 1.00 0.00 O ATOM 820 CB VAL A 55 -14.685 -0.549 7.349 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.201 -0.149 7.280 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.157 -1.356 6.128 1.00 0.00 C ATOM 0 H VAL A 55 -14.323 -3.017 7.982 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.428 -0.594 9.454 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.317 0.336 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -12.992 0.309 6.313 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.979 0.563 8.075 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.579 -1.036 7.403 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.920 -0.808 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.652 -2.322 6.113 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.234 -1.511 6.189 1.00 0.00 H new ATOM 832 N ASP A 56 -16.912 -1.974 9.872 1.00 0.00 N ATOM 833 CA ASP A 56 -18.238 -1.771 10.366 1.00 0.00 C ATOM 834 C ASP A 56 -18.288 -1.002 11.641 1.00 0.00 C ATOM 835 O ASP A 56 -17.789 -1.454 12.671 1.00 0.00 O ATOM 836 CB ASP A 56 -19.132 -3.014 10.504 1.00 0.00 C ATOM 837 CG ASP A 56 -20.622 -2.822 10.750 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.240 -2.052 9.967 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.106 -3.359 11.782 1.00 0.00 O ATOM 0 H ASP A 56 -16.420 -2.778 10.260 1.00 0.00 H new ATOM 0 HA ASP A 56 -18.662 -1.182 9.553 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -19.021 -3.603 9.594 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.737 -3.615 11.323 1.00 0.00 H new ATOM 844 N ALA A 57 -18.864 0.214 11.640 1.00 0.00 N ATOM 845 CA ALA A 57 -19.141 0.954 12.832 1.00 0.00 C ATOM 846 C ALA A 57 -20.540 0.879 13.339 1.00 0.00 C ATOM 847 O ALA A 57 -20.683 0.733 14.552 1.00 0.00 O ATOM 848 CB ALA A 57 -18.745 2.437 12.743 1.00 0.00 C ATOM 0 H ALA A 57 -19.145 0.696 10.786 1.00 0.00 H new ATOM 0 HA ALA A 57 -18.505 0.437 13.550 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -18.984 2.935 13.683 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -17.675 2.517 12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.295 2.912 11.931 1.00 0.00 H new ATOM 854 N ASP A 58 -21.598 0.854 12.510 1.00 0.00 N ATOM 855 CA ASP A 58 -22.929 0.862 13.034 1.00 0.00 C ATOM 856 C ASP A 58 -23.548 -0.375 13.589 1.00 0.00 C ATOM 857 O ASP A 58 -24.214 -0.356 14.623 1.00 0.00 O ATOM 858 CB ASP A 58 -23.992 1.490 12.117 1.00 0.00 C ATOM 859 CG ASP A 58 -23.819 0.736 10.806 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.913 -0.519 10.741 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.575 1.416 9.774 1.00 0.00 O ATOM 0 H ASP A 58 -21.536 0.829 11.492 1.00 0.00 H new ATOM 0 HA ASP A 58 -22.673 1.483 13.892 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -24.996 1.366 12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -23.830 2.560 11.989 1.00 0.00 H new ATOM 866 N GLY A 59 -23.294 -1.575 13.038 1.00 0.00 N ATOM 867 CA GLY A 59 -23.771 -2.812 13.574 1.00 0.00 C ATOM 868 C GLY A 59 -24.320 -3.780 12.582 1.00 0.00 C ATOM 869 O GLY A 59 -24.628 -4.919 12.929 1.00 0.00 O ATOM 0 H GLY A 59 -22.738 -1.688 12.191 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.953 -3.294 14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -24.547 -2.593 14.308 1.00 0.00 H new ATOM 873 N ASN A 60 -24.630 -3.373 11.338 1.00 0.00 N ATOM 874 CA ASN A 60 -25.215 -4.238 10.362 1.00 0.00 C ATOM 875 C ASN A 60 -24.266 -5.209 9.747 1.00 0.00 C ATOM 876 O ASN A 60 -24.731 -6.195 9.179 1.00 0.00 O ATOM 877 CB ASN A 60 -25.993 -3.481 9.272 1.00 0.00 C ATOM 878 CG ASN A 60 -25.208 -2.407 8.531 1.00 0.00 C ATOM 879 OD1 ASN A 60 -24.019 -2.640 8.320 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.891 -1.311 8.103 1.00 0.00 N ATOM 0 H ASN A 60 -24.471 -2.423 11.004 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.928 -4.826 10.940 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.361 -4.204 8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.867 -3.017 9.730 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.414 -0.594 7.556 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.880 -1.206 8.329 1.00 0.00 H new ATOM 887 N GLY A 61 -22.938 -5.061 9.896 1.00 0.00 N ATOM 888 CA GLY A 61 -21.900 -5.865 9.329 1.00 0.00 C ATOM 889 C GLY A 61 -21.664 -5.638 7.876 1.00 0.00 C ATOM 890 O GLY A 61 -20.819 -6.287 7.261 1.00 0.00 O ATOM 0 H GLY A 61 -22.557 -4.307 10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -20.973 -5.672 9.869 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.146 -6.915 9.484 1.00 0.00 H new ATOM 894 N THR A 62 -22.318 -4.658 7.228 1.00 0.00 N ATOM 895 CA THR A 62 -22.177 -4.368 5.834 1.00 0.00 C ATOM 896 C THR A 62 -21.721 -2.959 5.666 1.00 0.00 C ATOM 897 O THR A 62 -21.606 -2.212 6.637 1.00 0.00 O ATOM 898 CB THR A 62 -23.432 -4.622 5.053 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.533 -3.890 5.571 1.00 0.00 O ATOM 900 CG2 THR A 62 -23.726 -6.124 5.206 1.00 0.00 C ATOM 0 H THR A 62 -22.977 -4.038 7.698 1.00 0.00 H new ATOM 0 HA THR A 62 -21.429 -5.049 5.429 1.00 0.00 H new ATOM 0 HB THR A 62 -23.295 -4.315 4.016 1.00 0.00 H new ATOM 0 HG1 THR A 62 -24.250 -3.392 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 62 -24.634 -6.375 4.657 1.00 0.00 H new ATOM 0 HG22 THR A 62 -22.891 -6.701 4.809 1.00 0.00 H new ATOM 0 HG23 THR A 62 -23.863 -6.362 6.261 1.00 0.00 H new ATOM 908 N ILE A 63 -21.310 -2.505 4.469 1.00 0.00 N ATOM 909 CA ILE A 63 -20.581 -1.276 4.442 1.00 0.00 C ATOM 910 C ILE A 63 -21.593 -0.242 4.087 1.00 0.00 C ATOM 911 O ILE A 63 -22.194 -0.282 3.015 1.00 0.00 O ATOM 912 CB ILE A 63 -19.371 -1.228 3.556 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.434 -2.434 3.739 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.648 0.073 3.942 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.214 -2.514 2.823 1.00 0.00 C ATOM 0 H ILE A 63 -21.469 -2.957 3.569 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.120 -1.115 5.417 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.669 -1.261 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.083 -2.436 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -19.021 -3.342 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.748 0.183 3.337 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.309 0.922 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.374 0.038 4.996 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.641 -3.411 3.058 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.541 -2.554 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.588 -1.634 2.972 1.00 0.00 H new ATOM 927 N ASP A 64 -21.850 0.761 4.947 1.00 0.00 N ATOM 928 CA ASP A 64 -22.699 1.871 4.648 1.00 0.00 C ATOM 929 C ASP A 64 -21.855 2.929 4.025 1.00 0.00 C ATOM 930 O ASP A 64 -20.640 2.872 3.839 1.00 0.00 O ATOM 931 CB ASP A 64 -23.492 2.475 5.819 1.00 0.00 C ATOM 932 CG ASP A 64 -24.467 1.527 6.502 1.00 0.00 C ATOM 933 OD1 ASP A 64 -24.037 0.460 7.017 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.697 1.794 6.437 1.00 0.00 O ATOM 0 H ASP A 64 -21.451 0.799 5.885 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.472 1.480 3.986 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.786 2.842 6.564 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.047 3.339 5.453 1.00 0.00 H new ATOM 939 N PHE A 65 -22.458 4.099 3.747 1.00 0.00 N ATOM 940 CA PHE A 65 -21.701 5.236 3.325 1.00 0.00 C ATOM 941 C PHE A 65 -20.737 5.877 4.263 1.00 0.00 C ATOM 942 O PHE A 65 -19.581 5.987 3.856 1.00 0.00 O ATOM 943 CB PHE A 65 -22.551 6.165 2.441 1.00 0.00 C ATOM 944 CG PHE A 65 -21.774 7.290 1.849 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.825 7.124 0.868 1.00 0.00 C ATOM 946 CD2 PHE A 65 -22.055 8.578 2.238 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.150 8.224 0.393 1.00 0.00 C ATOM 948 CE2 PHE A 65 -21.473 9.691 1.679 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.522 9.511 0.702 1.00 0.00 C ATOM 0 H PHE A 65 -23.463 4.257 3.814 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.920 4.807 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.999 5.580 1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.370 6.571 3.035 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.612 6.141 0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.775 8.724 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.294 8.071 -0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -21.756 10.683 1.999 1.00 0.00 H new ATOM 0 HZ PHE A 65 -20.081 10.355 0.193 1.00 0.00 H new ATOM 959 N PRO A 66 -21.046 6.176 5.490 1.00 0.00 N ATOM 960 CA PRO A 66 -20.075 6.855 6.298 1.00 0.00 C ATOM 961 C PRO A 66 -18.883 6.032 6.645 1.00 0.00 C ATOM 962 O PRO A 66 -17.834 6.584 6.974 1.00 0.00 O ATOM 963 CB PRO A 66 -20.788 7.349 7.555 1.00 0.00 C ATOM 964 CG PRO A 66 -22.230 7.519 7.050 1.00 0.00 C ATOM 965 CD PRO A 66 -22.350 6.298 6.124 1.00 0.00 C ATOM 0 HA PRO A 66 -19.670 7.683 5.717 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.723 6.630 8.372 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.369 8.286 7.921 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -22.958 7.497 7.861 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.374 8.459 6.517 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.601 5.399 6.687 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -23.137 6.440 5.383 1.00 0.00 H new ATOM 973 N GLU A 67 -19.069 4.700 6.688 1.00 0.00 N ATOM 974 CA GLU A 67 -17.988 3.790 6.902 1.00 0.00 C ATOM 975 C GLU A 67 -17.205 3.618 5.646 1.00 0.00 C ATOM 976 O GLU A 67 -16.007 3.360 5.545 1.00 0.00 O ATOM 977 CB GLU A 67 -18.345 2.366 7.359 1.00 0.00 C ATOM 978 CG GLU A 67 -19.210 2.321 8.621 1.00 0.00 C ATOM 979 CD GLU A 67 -20.328 1.289 8.647 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.644 0.742 7.557 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.823 0.944 9.753 1.00 0.00 O ATOM 0 H GLU A 67 -19.978 4.251 6.573 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.444 4.265 7.718 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.870 1.856 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.425 1.811 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.557 2.137 9.474 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.653 3.306 8.765 1.00 0.00 H new ATOM 988 N PHE A 68 -17.820 3.696 4.452 1.00 0.00 N ATOM 989 CA PHE A 68 -17.210 3.672 3.158 1.00 0.00 C ATOM 990 C PHE A 68 -16.251 4.810 3.076 1.00 0.00 C ATOM 991 O PHE A 68 -15.142 4.564 2.607 1.00 0.00 O ATOM 992 CB PHE A 68 -18.147 3.649 1.939 1.00 0.00 C ATOM 993 CG PHE A 68 -17.420 3.342 0.675 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.991 2.044 0.529 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.180 4.276 -0.305 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.411 1.646 -0.653 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.647 3.837 -1.494 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.194 2.550 -1.666 1.00 0.00 C ATOM 0 H PHE A 68 -18.834 3.784 4.389 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.714 2.704 3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.927 2.905 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.642 4.615 1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.109 1.340 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.403 5.321 -0.146 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.123 0.614 -0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -16.582 4.527 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.682 2.258 -2.571 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.632 6.045 3.452 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.751 7.169 3.531 1.00 0.00 C ATOM 1010 C LEU A 69 -14.526 6.842 4.313 1.00 0.00 C ATOM 1011 O LEU A 69 -13.449 7.251 3.882 1.00 0.00 O ATOM 1012 CB LEU A 69 -16.441 8.434 4.068 1.00 0.00 C ATOM 1013 CG LEU A 69 -17.602 8.929 3.190 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -18.292 9.999 4.052 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.165 9.466 1.817 1.00 0.00 C ATOM 0 H LEU A 69 -17.593 6.269 3.711 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.449 7.397 2.509 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.817 8.233 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.701 9.229 4.158 1.00 0.00 H new ATOM 0 HG LEU A 69 -18.270 8.111 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -19.140 10.414 3.507 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.643 9.548 4.980 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.583 10.795 4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -18.042 9.795 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -16.486 10.307 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.657 8.677 1.262 1.00 0.00 H new ATOM 1027 N THR A 70 -14.600 6.234 5.511 1.00 0.00 N ATOM 1028 CA THR A 70 -13.571 5.683 6.337 1.00 0.00 C ATOM 1029 C THR A 70 -12.648 4.742 5.643 1.00 0.00 C ATOM 1030 O THR A 70 -11.439 4.938 5.757 1.00 0.00 O ATOM 1031 CB THR A 70 -14.091 5.182 7.652 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.461 6.236 8.529 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.039 4.353 8.407 1.00 0.00 C ATOM 0 H THR A 70 -15.510 6.116 5.956 1.00 0.00 H new ATOM 0 HA THR A 70 -12.923 6.525 6.579 1.00 0.00 H new ATOM 0 HB THR A 70 -14.959 4.577 7.391 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.795 5.860 9.370 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.457 4.010 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.753 3.492 7.803 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.161 4.969 8.600 1.00 0.00 H new ATOM 1041 N MET A 71 -13.191 3.900 4.746 1.00 0.00 N ATOM 1042 CA MET A 71 -12.558 2.818 4.058 1.00 0.00 C ATOM 1043 C MET A 71 -11.723 3.482 3.017 1.00 0.00 C ATOM 1044 O MET A 71 -10.537 3.162 2.949 1.00 0.00 O ATOM 1045 CB MET A 71 -13.479 1.750 3.445 1.00 0.00 C ATOM 1046 CG MET A 71 -12.735 0.546 2.865 1.00 0.00 C ATOM 1047 SD MET A 71 -12.321 -0.746 4.076 1.00 0.00 S ATOM 1048 CE MET A 71 -13.371 -2.033 3.343 1.00 0.00 C ATOM 0 H MET A 71 -14.171 3.988 4.478 1.00 0.00 H new ATOM 0 HA MET A 71 -11.995 2.224 4.778 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.173 1.401 4.210 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.077 2.209 2.657 1.00 0.00 H new ATOM 0 HG2 MET A 71 -13.345 0.104 2.077 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.814 0.895 2.398 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.556 -2.815 4.080 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.320 -1.595 3.032 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.868 -2.463 2.476 1.00 0.00 H new ATOM 1058 N MET A 72 -12.303 4.400 2.224 1.00 0.00 N ATOM 1059 CA MET A 72 -11.677 5.172 1.196 1.00 0.00 C ATOM 1060 C MET A 72 -10.591 6.047 1.720 1.00 0.00 C ATOM 1061 O MET A 72 -9.506 6.104 1.144 1.00 0.00 O ATOM 1062 CB MET A 72 -12.707 5.866 0.289 1.00 0.00 C ATOM 1063 CG MET A 72 -13.301 4.973 -0.803 1.00 0.00 C ATOM 1064 SD MET A 72 -12.135 4.081 -1.874 1.00 0.00 S ATOM 1065 CE MET A 72 -11.034 5.364 -2.536 1.00 0.00 C ATOM 0 H MET A 72 -13.295 4.620 2.311 1.00 0.00 H new ATOM 0 HA MET A 72 -11.154 4.483 0.532 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.518 6.247 0.909 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.234 6.728 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.948 4.239 -0.324 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.936 5.592 -1.437 1.00 0.00 H new ATOM 0 HE1 MET A 72 -10.297 4.906 -3.196 1.00 0.00 H new ATOM 0 HE2 MET A 72 -11.620 6.092 -3.097 1.00 0.00 H new ATOM 0 HE3 MET A 72 -10.523 5.865 -1.714 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.807 6.709 2.871 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.799 7.330 3.674 1.00 0.00 C ATOM 1077 C ALA A 73 -8.638 6.461 4.015 1.00 0.00 C ATOM 1078 O ALA A 73 -7.476 6.854 3.934 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.375 8.140 4.847 1.00 0.00 C ATOM 0 H ALA A 73 -11.742 6.817 3.264 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.344 8.074 3.021 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.559 8.585 5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.022 8.929 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.953 7.481 5.495 1.00 0.00 H new ATOM 1234 N GLU A 83 4.231 3.173 -0.840 1.00 0.00 N ATOM 1235 CA GLU A 83 5.432 3.878 -1.168 1.00 0.00 C ATOM 1236 C GLU A 83 6.366 3.948 -0.009 1.00 0.00 C ATOM 1237 O GLU A 83 7.584 3.796 -0.086 1.00 0.00 O ATOM 1238 CB GLU A 83 5.146 5.257 -1.785 1.00 0.00 C ATOM 1239 CG GLU A 83 6.356 5.826 -2.530 1.00 0.00 C ATOM 1240 CD GLU A 83 6.646 5.200 -3.886 1.00 0.00 C ATOM 1241 OE1 GLU A 83 5.947 5.563 -4.869 1.00 0.00 O ATOM 1242 OE2 GLU A 83 7.415 4.202 -3.919 1.00 0.00 O ATOM 0 HA GLU A 83 5.941 3.302 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.304 5.177 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.849 5.950 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.204 6.896 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.237 5.708 -1.899 1.00 0.00 H new ATOM 1249 N GLU A 84 5.854 4.021 1.232 1.00 0.00 N ATOM 1250 CA GLU A 84 6.690 4.001 2.392 1.00 0.00 C ATOM 1251 C GLU A 84 7.345 2.692 2.669 1.00 0.00 C ATOM 1252 O GLU A 84 8.543 2.611 2.935 1.00 0.00 O ATOM 1253 CB GLU A 84 5.937 4.543 3.618 1.00 0.00 C ATOM 1254 CG GLU A 84 5.354 5.948 3.457 1.00 0.00 C ATOM 1255 CD GLU A 84 4.915 6.500 4.806 1.00 0.00 C ATOM 1256 OE1 GLU A 84 3.819 6.058 5.242 1.00 0.00 O ATOM 1257 OE2 GLU A 84 5.654 7.301 5.439 1.00 0.00 O ATOM 0 H GLU A 84 4.857 4.094 1.433 1.00 0.00 H new ATOM 0 HA GLU A 84 7.520 4.671 2.167 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.126 3.856 3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 84 6.617 4.545 4.470 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.098 6.608 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.504 5.920 2.775 1.00 0.00 H new ATOM 1264 N ILE A 85 6.585 1.587 2.561 1.00 0.00 N ATOM 1265 CA ILE A 85 7.030 0.240 2.737 1.00 0.00 C ATOM 1266 C ILE A 85 7.793 -0.254 1.556 1.00 0.00 C ATOM 1267 O ILE A 85 8.496 -1.240 1.774 1.00 0.00 O ATOM 1268 CB ILE A 85 5.963 -0.755 3.083 1.00 0.00 C ATOM 1269 CG1 ILE A 85 4.943 -1.187 2.015 1.00 0.00 C ATOM 1270 CG2 ILE A 85 5.250 -0.138 4.298 1.00 0.00 C ATOM 1271 CD1 ILE A 85 3.587 -1.583 2.598 1.00 0.00 C ATOM 0 H ILE A 85 5.592 1.640 2.335 1.00 0.00 H new ATOM 0 HA ILE A 85 7.681 0.307 3.609 1.00 0.00 H new ATOM 0 HB ILE A 85 6.467 -1.707 3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.802 -0.371 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.349 -2.029 1.454 1.00 0.00 H new ATOM 0 HG21 ILE A 85 4.448 -0.800 4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.964 -0.006 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.832 0.830 4.022 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.916 -1.877 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.716 -2.420 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.160 -0.736 3.135 1.00 0.00 H new ATOM 1283 N ARG A 86 7.730 0.353 0.358 1.00 0.00 N ATOM 1284 CA ARG A 86 8.537 0.140 -0.803 1.00 0.00 C ATOM 1285 C ARG A 86 9.915 0.673 -0.605 1.00 0.00 C ATOM 1286 O ARG A 86 10.875 -0.057 -0.844 1.00 0.00 O ATOM 1287 CB ARG A 86 7.849 0.668 -2.073 1.00 0.00 C ATOM 1288 CG ARG A 86 8.539 0.342 -3.399 1.00 0.00 C ATOM 1289 CD ARG A 86 7.609 0.223 -4.608 1.00 0.00 C ATOM 1290 NE ARG A 86 6.840 1.489 -4.771 1.00 0.00 N ATOM 1291 CZ ARG A 86 5.568 1.613 -5.250 1.00 0.00 C ATOM 1292 NH1 ARG A 86 4.922 0.582 -5.871 1.00 0.00 N ATOM 1293 NH2 ARG A 86 4.963 2.821 -5.054 1.00 0.00 N ATOM 0 H ARG A 86 7.031 1.076 0.187 1.00 0.00 H new ATOM 0 HA ARG A 86 8.647 -0.934 -0.953 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.836 0.267 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.760 1.751 -1.990 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.278 1.116 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.083 -0.596 -3.286 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.189 0.019 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.925 -0.615 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 86 7.312 2.350 -4.497 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.391 -0.316 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.971 0.710 -6.217 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.462 3.569 -4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.012 2.976 -5.389 1.00 0.00 H new ATOM 1307 N GLU A 87 10.024 1.877 -0.016 1.00 0.00 N ATOM 1308 CA GLU A 87 11.342 2.355 0.267 1.00 0.00 C ATOM 1309 C GLU A 87 11.998 1.525 1.317 1.00 0.00 C ATOM 1310 O GLU A 87 13.105 1.009 1.176 1.00 0.00 O ATOM 1311 CB GLU A 87 11.479 3.879 0.415 1.00 0.00 C ATOM 1312 CG GLU A 87 12.944 4.313 0.495 1.00 0.00 C ATOM 1313 CD GLU A 87 13.011 5.763 0.952 1.00 0.00 C ATOM 1314 OE1 GLU A 87 12.369 6.566 0.223 1.00 0.00 O ATOM 1315 OE2 GLU A 87 13.537 5.999 2.072 1.00 0.00 O ATOM 0 H GLU A 87 9.252 2.488 0.251 1.00 0.00 H new ATOM 0 HA GLU A 87 11.931 2.204 -0.638 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.000 4.371 -0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.954 4.206 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.488 3.674 1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.422 4.203 -0.478 1.00 0.00 H new ATOM 1322 N ALA A 88 11.344 1.201 2.446 1.00 0.00 N ATOM 1323 CA ALA A 88 11.940 0.469 3.520 1.00 0.00 C ATOM 1324 C ALA A 88 12.238 -0.938 3.131 1.00 0.00 C ATOM 1325 O ALA A 88 13.190 -1.588 3.561 1.00 0.00 O ATOM 1326 CB ALA A 88 11.121 0.421 4.820 1.00 0.00 C ATOM 0 H ALA A 88 10.371 1.456 2.617 1.00 0.00 H new ATOM 0 HA ALA A 88 12.851 1.032 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 88 11.661 -0.157 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.963 1.435 5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.157 -0.048 4.625 1.00 0.00 H new ATOM 1332 N PHE A 89 11.462 -1.566 2.229 1.00 0.00 N ATOM 1333 CA PHE A 89 11.749 -2.861 1.695 1.00 0.00 C ATOM 1334 C PHE A 89 13.091 -3.069 1.081 1.00 0.00 C ATOM 1335 O PHE A 89 13.734 -4.110 1.204 1.00 0.00 O ATOM 1336 CB PHE A 89 10.760 -3.151 0.553 1.00 0.00 C ATOM 1337 CG PHE A 89 10.749 -4.561 0.073 1.00 0.00 C ATOM 1338 CD1 PHE A 89 10.333 -5.626 0.837 1.00 0.00 C ATOM 1339 CD2 PHE A 89 11.155 -4.684 -1.235 1.00 0.00 C ATOM 1340 CE1 PHE A 89 10.240 -6.869 0.256 1.00 0.00 C ATOM 1341 CE2 PHE A 89 11.064 -5.935 -1.797 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.672 -7.015 -1.041 1.00 0.00 C ATOM 0 H PHE A 89 10.604 -1.157 1.858 1.00 0.00 H new ATOM 0 HA PHE A 89 11.685 -3.508 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 89 9.756 -2.889 0.887 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.997 -2.499 -0.287 1.00 0.00 H new ATOM 0 HD1 PHE A 89 10.083 -5.488 1.879 1.00 0.00 H new ATOM 0 HD2 PHE A 89 11.527 -3.838 -1.794 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.838 -7.708 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.302 -6.071 -2.842 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.704 -8.002 -1.477 1.00 0.00 H new ATOM 1352 N ARG A 90 13.496 -2.026 0.335 1.00 0.00 N ATOM 1353 CA ARG A 90 14.686 -2.008 -0.458 1.00 0.00 C ATOM 1354 C ARG A 90 15.796 -1.368 0.302 1.00 0.00 C ATOM 1355 O ARG A 90 16.966 -1.254 -0.059 1.00 0.00 O ATOM 1356 CB ARG A 90 14.533 -1.331 -1.830 1.00 0.00 C ATOM 1357 CG ARG A 90 15.597 -1.761 -2.842 1.00 0.00 C ATOM 1358 CD ARG A 90 15.355 -1.538 -4.337 1.00 0.00 C ATOM 1359 NE ARG A 90 14.288 -2.421 -4.885 1.00 0.00 N ATOM 1360 CZ ARG A 90 13.028 -1.935 -5.085 1.00 0.00 C ATOM 1361 NH1 ARG A 90 12.573 -0.685 -4.779 1.00 0.00 N ATOM 1362 NH2 ARG A 90 12.081 -2.800 -5.554 1.00 0.00 N ATOM 0 H ARG A 90 12.969 -1.154 0.282 1.00 0.00 H new ATOM 0 HA ARG A 90 14.913 -3.053 -0.668 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.546 -1.560 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.581 -0.250 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.522 -1.246 -2.581 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.774 -2.827 -2.696 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.081 -0.497 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.283 -1.715 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 90 14.500 -3.393 -5.112 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.202 -0.003 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.604 -0.433 -4.975 1.00 0.00 H new ATOM 0 HH21 ARG A 90 12.327 -3.772 -5.742 1.00 0.00 H new ATOM 0 HH22 ARG A 90 11.128 -2.474 -5.716 1.00 0.00 H new ATOM 1376 N VAL A 91 15.486 -0.806 1.484 1.00 0.00 N ATOM 1377 CA VAL A 91 16.508 -0.559 2.453 1.00 0.00 C ATOM 1378 C VAL A 91 16.944 -1.811 3.134 1.00 0.00 C ATOM 1379 O VAL A 91 18.130 -1.989 3.406 1.00 0.00 O ATOM 1380 CB VAL A 91 16.020 0.480 3.419 1.00 0.00 C ATOM 1381 CG1 VAL A 91 17.024 0.581 4.580 1.00 0.00 C ATOM 1382 CG2 VAL A 91 15.789 1.902 2.882 1.00 0.00 C ATOM 0 H VAL A 91 14.546 -0.527 1.766 1.00 0.00 H new ATOM 0 HA VAL A 91 17.397 -0.178 1.950 1.00 0.00 H new ATOM 0 HB VAL A 91 15.030 0.124 3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.683 1.333 5.292 1.00 0.00 H new ATOM 0 HG12 VAL A 91 17.100 -0.384 5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 91 18.002 0.866 4.192 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.438 2.544 3.690 1.00 0.00 H new ATOM 0 HG22 VAL A 91 16.724 2.297 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.041 1.875 2.090 1.00 0.00 H new ATOM 1392 N PHE A 92 15.970 -2.604 3.614 1.00 0.00 N ATOM 1393 CA PHE A 92 16.184 -3.858 4.269 1.00 0.00 C ATOM 1394 C PHE A 92 16.911 -4.924 3.523 1.00 0.00 C ATOM 1395 O PHE A 92 17.682 -5.718 4.059 1.00 0.00 O ATOM 1396 CB PHE A 92 14.793 -4.435 4.583 1.00 0.00 C ATOM 1397 CG PHE A 92 14.075 -3.942 5.791 1.00 0.00 C ATOM 1398 CD1 PHE A 92 14.430 -2.756 6.390 1.00 0.00 C ATOM 1399 CD2 PHE A 92 12.878 -4.513 6.155 1.00 0.00 C ATOM 1400 CE1 PHE A 92 13.663 -2.184 7.378 1.00 0.00 C ATOM 1401 CE2 PHE A 92 12.151 -4.091 7.242 1.00 0.00 C ATOM 1402 CZ PHE A 92 12.573 -2.907 7.800 1.00 0.00 C ATOM 0 H PHE A 92 14.983 -2.358 3.542 1.00 0.00 H new ATOM 0 HA PHE A 92 16.822 -3.617 5.119 1.00 0.00 H new ATOM 0 HB2 PHE A 92 14.155 -4.249 3.719 1.00 0.00 H new ATOM 0 HB3 PHE A 92 14.896 -5.516 4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.336 -2.260 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.493 -5.328 5.561 1.00 0.00 H new ATOM 0 HE1 PHE A 92 13.904 -1.219 7.799 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.311 -4.648 7.629 1.00 0.00 H new ATOM 0 HZ PHE A 92 12.006 -2.516 8.632 1.00 0.00 H new ATOM 1412 N ASP A 93 16.542 -5.083 2.240 1.00 0.00 N ATOM 1413 CA ASP A 93 17.254 -5.908 1.314 1.00 0.00 C ATOM 1414 C ASP A 93 18.441 -5.195 0.764 1.00 0.00 C ATOM 1415 O ASP A 93 18.236 -4.147 0.154 1.00 0.00 O ATOM 1416 CB ASP A 93 16.246 -6.533 0.335 1.00 0.00 C ATOM 1417 CG ASP A 93 16.754 -7.845 -0.246 1.00 0.00 C ATOM 1418 OD1 ASP A 93 17.175 -8.790 0.473 1.00 0.00 O ATOM 1419 OD2 ASP A 93 16.806 -7.901 -1.504 1.00 0.00 O ATOM 0 H ASP A 93 15.726 -4.625 1.835 1.00 0.00 H new ATOM 0 HA ASP A 93 17.727 -6.768 1.789 1.00 0.00 H new ATOM 0 HB2 ASP A 93 15.301 -6.706 0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 93 16.045 -5.832 -0.475 1.00 0.00 H new ATOM 1424 N LYS A 94 19.676 -5.653 1.038 1.00 0.00 N ATOM 1425 CA LYS A 94 20.797 -4.867 0.624 1.00 0.00 C ATOM 1426 C LYS A 94 21.069 -5.013 -0.834 1.00 0.00 C ATOM 1427 O LYS A 94 21.407 -4.020 -1.475 1.00 0.00 O ATOM 1428 CB LYS A 94 22.067 -5.360 1.337 1.00 0.00 C ATOM 1429 CG LYS A 94 21.979 -5.411 2.863 1.00 0.00 C ATOM 1430 CD LYS A 94 23.317 -5.837 3.472 1.00 0.00 C ATOM 1431 CE LYS A 94 23.338 -7.351 3.688 1.00 0.00 C ATOM 1432 NZ LYS A 94 24.732 -7.741 3.997 1.00 0.00 N ATOM 0 H LYS A 94 19.894 -6.524 1.522 1.00 0.00 H new ATOM 0 HA LYS A 94 20.557 -3.831 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 94 22.307 -6.358 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 94 22.896 -4.710 1.058 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.695 -4.432 3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.199 -6.110 3.163 1.00 0.00 H new ATOM 0 HD2 LYS A 94 24.135 -5.544 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 94 23.473 -5.324 4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.673 -7.630 4.505 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.984 -7.870 2.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.779 -8.769 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 25.350 -7.480 3.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 25.048 -7.248 4.857 1.00 0.00 H new ATOM 1446 N ASP A 95 21.060 -6.283 -1.277 1.00 0.00 N ATOM 1447 CA ASP A 95 21.263 -6.731 -2.620 1.00 0.00 C ATOM 1448 C ASP A 95 20.257 -6.343 -3.647 1.00 0.00 C ATOM 1449 O ASP A 95 20.526 -5.931 -4.775 1.00 0.00 O ATOM 1450 CB ASP A 95 21.481 -8.253 -2.594 1.00 0.00 C ATOM 1451 CG ASP A 95 20.360 -9.104 -2.013 1.00 0.00 C ATOM 1452 OD1 ASP A 95 20.098 -9.034 -0.783 1.00 0.00 O ATOM 1453 OD2 ASP A 95 19.588 -9.732 -2.785 1.00 0.00 O ATOM 0 H ASP A 95 20.896 -7.062 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 95 22.143 -6.189 -2.967 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.664 -8.586 -3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 95 22.389 -8.455 -2.025 1.00 0.00 H new ATOM 1458 N GLY A 96 19.016 -6.189 -3.150 1.00 0.00 N ATOM 1459 CA GLY A 96 17.937 -5.532 -3.820 1.00 0.00 C ATOM 1460 C GLY A 96 17.305 -6.307 -4.925 1.00 0.00 C ATOM 1461 O GLY A 96 17.057 -5.760 -5.998 1.00 0.00 O ATOM 0 H GLY A 96 18.752 -6.543 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 96 17.170 -5.288 -3.085 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.303 -4.588 -4.224 1.00 0.00 H new ATOM 1465 N ASN A 97 17.027 -7.617 -4.797 1.00 0.00 N ATOM 1466 CA ASN A 97 16.596 -8.443 -5.882 1.00 0.00 C ATOM 1467 C ASN A 97 15.125 -8.380 -6.109 1.00 0.00 C ATOM 1468 O ASN A 97 14.631 -8.230 -7.225 1.00 0.00 O ATOM 1469 CB ASN A 97 17.227 -9.835 -5.707 1.00 0.00 C ATOM 1470 CG ASN A 97 16.723 -10.666 -4.535 1.00 0.00 C ATOM 1471 OD1 ASN A 97 16.639 -10.076 -3.459 1.00 0.00 O ATOM 1472 ND2 ASN A 97 16.355 -11.966 -4.683 1.00 0.00 N ATOM 0 H ASN A 97 17.105 -8.117 -3.911 1.00 0.00 H new ATOM 0 HA ASN A 97 16.962 -8.065 -6.837 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.062 -10.402 -6.623 1.00 0.00 H new ATOM 0 HB3 ASN A 97 18.304 -9.710 -5.599 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.994 -12.488 -3.885 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.440 -12.420 -5.593 1.00 0.00 H new ATOM 1479 N GLY A 98 14.251 -8.578 -5.106 1.00 0.00 N ATOM 1480 CA GLY A 98 12.840 -8.687 -5.311 1.00 0.00 C ATOM 1481 C GLY A 98 12.236 -9.455 -4.187 1.00 0.00 C ATOM 1482 O GLY A 98 11.071 -9.235 -3.857 1.00 0.00 O ATOM 0 H GLY A 98 14.532 -8.664 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.392 -7.695 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.636 -9.186 -6.258 1.00 0.00 H new ATOM 1486 N TYR A 99 13.037 -10.310 -3.526 1.00 0.00 N ATOM 1487 CA TYR A 99 12.643 -10.994 -2.334 1.00 0.00 C ATOM 1488 C TYR A 99 13.365 -10.505 -1.126 1.00 0.00 C ATOM 1489 O TYR A 99 14.436 -9.931 -1.321 1.00 0.00 O ATOM 1490 CB TYR A 99 12.678 -12.532 -2.352 1.00 0.00 C ATOM 1491 CG TYR A 99 11.912 -13.116 -3.489 1.00 0.00 C ATOM 1492 CD1 TYR A 99 10.538 -13.131 -3.455 1.00 0.00 C ATOM 1493 CD2 TYR A 99 12.562 -13.422 -4.661 1.00 0.00 C ATOM 1494 CE1 TYR A 99 9.857 -13.593 -4.557 1.00 0.00 C ATOM 1495 CE2 TYR A 99 11.918 -13.994 -5.733 1.00 0.00 C ATOM 1496 CZ TYR A 99 10.545 -14.038 -5.661 1.00 0.00 C ATOM 1497 OH TYR A 99 9.820 -14.711 -6.667 1.00 0.00 O ATOM 0 H TYR A 99 13.985 -10.532 -3.829 1.00 0.00 H new ATOM 0 HA TYR A 99 11.586 -10.733 -2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 99 13.714 -12.866 -2.409 1.00 0.00 H new ATOM 0 HB3 TYR A 99 12.272 -12.911 -1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 99 10.004 -12.787 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 99 13.617 -13.205 -4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.777 -13.606 -4.555 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.459 -14.386 -6.582 1.00 0.00 H new ATOM 0 HH TYR A 99 10.428 -14.970 -7.391 1.00 0.00 H new ATOM 1507 N ILE A 100 12.749 -10.815 0.029 1.00 0.00 N ATOM 1508 CA ILE A 100 13.469 -10.916 1.260 1.00 0.00 C ATOM 1509 C ILE A 100 13.402 -12.347 1.670 1.00 0.00 C ATOM 1510 O ILE A 100 12.339 -12.740 2.147 1.00 0.00 O ATOM 1511 CB ILE A 100 13.040 -10.092 2.438 1.00 0.00 C ATOM 1512 CG1 ILE A 100 12.444 -8.717 2.094 1.00 0.00 C ATOM 1513 CG2 ILE A 100 14.360 -9.930 3.211 1.00 0.00 C ATOM 1514 CD1 ILE A 100 12.048 -7.777 3.232 1.00 0.00 C ATOM 0 H ILE A 100 11.749 -10.996 0.110 1.00 0.00 H new ATOM 0 HA ILE A 100 14.454 -10.514 1.025 1.00 0.00 H new ATOM 0 HB ILE A 100 12.228 -10.575 2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 100 13.167 -8.192 1.469 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.557 -8.886 1.483 1.00 0.00 H new ATOM 0 HG21 ILE A 100 14.185 -9.338 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 100 14.740 -10.912 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 100 15.092 -9.425 2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 100 11.646 -6.853 2.817 1.00 0.00 H new ATOM 0 HD12 ILE A 100 11.291 -8.256 3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 100 12.925 -7.551 3.839 1.00 0.00 H new ATOM 1526 N SER A 101 14.522 -13.080 1.532 1.00 0.00 N ATOM 1527 CA SER A 101 14.450 -14.471 1.854 1.00 0.00 C ATOM 1528 C SER A 101 14.349 -14.563 3.338 1.00 0.00 C ATOM 1529 O SER A 101 14.851 -13.736 4.098 1.00 0.00 O ATOM 1530 CB SER A 101 15.659 -15.216 1.263 1.00 0.00 C ATOM 1531 OG SER A 101 16.883 -14.715 1.779 1.00 0.00 O ATOM 0 H SER A 101 15.429 -12.736 1.216 1.00 0.00 H new ATOM 0 HA SER A 101 13.578 -14.956 1.416 1.00 0.00 H new ATOM 0 HB2 SER A 101 15.577 -16.280 1.487 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.653 -15.117 0.177 1.00 0.00 H new ATOM 0 HG SER A 101 17.151 -13.920 1.272 1.00 0.00 H new ATOM 1537 N ALA A 102 13.811 -15.690 3.836 1.00 0.00 N ATOM 1538 CA ALA A 102 13.689 -15.997 5.228 1.00 0.00 C ATOM 1539 C ALA A 102 14.923 -15.789 6.035 1.00 0.00 C ATOM 1540 O ALA A 102 14.893 -15.179 7.103 1.00 0.00 O ATOM 1541 CB ALA A 102 13.131 -17.430 5.280 1.00 0.00 C ATOM 0 H ALA A 102 13.441 -16.427 3.235 1.00 0.00 H new ATOM 0 HA ALA A 102 13.015 -15.291 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 102 13.010 -17.736 6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 102 12.164 -17.463 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 102 13.823 -18.108 4.780 1.00 0.00 H new ATOM 1547 N ALA A 103 16.124 -16.185 5.577 1.00 0.00 N ATOM 1548 CA ALA A 103 17.363 -15.895 6.230 1.00 0.00 C ATOM 1549 C ALA A 103 17.630 -14.432 6.321 1.00 0.00 C ATOM 1550 O ALA A 103 18.185 -14.020 7.339 1.00 0.00 O ATOM 1551 CB ALA A 103 18.499 -16.675 5.548 1.00 0.00 C ATOM 0 H ALA A 103 16.237 -16.727 4.720 1.00 0.00 H new ATOM 0 HA ALA A 103 17.299 -16.230 7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 103 19.443 -16.453 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 103 18.297 -17.744 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 103 18.564 -16.381 4.500 1.00 0.00 H new ATOM 1557 N GLU A 104 17.413 -13.625 5.267 1.00 0.00 N ATOM 1558 CA GLU A 104 17.568 -12.204 5.298 1.00 0.00 C ATOM 1559 C GLU A 104 16.621 -11.492 6.202 1.00 0.00 C ATOM 1560 O GLU A 104 17.059 -10.635 6.967 1.00 0.00 O ATOM 1561 CB GLU A 104 17.481 -11.625 3.876 1.00 0.00 C ATOM 1562 CG GLU A 104 18.542 -12.141 2.901 1.00 0.00 C ATOM 1563 CD GLU A 104 18.250 -11.762 1.456 1.00 0.00 C ATOM 1564 OE1 GLU A 104 17.221 -12.208 0.882 1.00 0.00 O ATOM 1565 OE2 GLU A 104 19.066 -11.089 0.771 1.00 0.00 O ATOM 0 H GLU A 104 17.118 -13.977 4.356 1.00 0.00 H new ATOM 0 HA GLU A 104 18.559 -12.031 5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 104 16.495 -11.849 3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 104 17.562 -10.540 3.936 1.00 0.00 H new ATOM 0 HG2 GLU A 104 19.516 -11.743 3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 104 18.606 -13.226 2.981 1.00 0.00 H new ATOM 1572 N LEU A 105 15.323 -11.840 6.149 1.00 0.00 N ATOM 1573 CA LEU A 105 14.217 -11.365 6.922 1.00 0.00 C ATOM 1574 C LEU A 105 14.390 -11.661 8.371 1.00 0.00 C ATOM 1575 O LEU A 105 13.982 -10.874 9.224 1.00 0.00 O ATOM 1576 CB LEU A 105 12.882 -11.845 6.328 1.00 0.00 C ATOM 1577 CG LEU A 105 11.600 -11.255 6.940 1.00 0.00 C ATOM 1578 CD1 LEU A 105 11.146 -9.892 6.391 1.00 0.00 C ATOM 1579 CD2 LEU A 105 10.509 -12.309 6.688 1.00 0.00 C ATOM 0 H LEU A 105 15.015 -12.544 5.478 1.00 0.00 H new ATOM 0 HA LEU A 105 14.189 -10.277 6.862 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.884 -11.620 5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 105 12.837 -12.930 6.425 1.00 0.00 H new ATOM 0 HG LEU A 105 11.796 -11.046 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.233 -9.581 6.899 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.927 -9.152 6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 105 10.955 -9.976 5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.562 -11.958 7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.402 -12.472 5.616 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.789 -13.245 7.171 1.00 0.00 H new ATOM 1591 N ARG A 106 15.134 -12.733 8.696 1.00 0.00 N ATOM 1592 CA ARG A 106 15.548 -13.131 10.006 1.00 0.00 C ATOM 1593 C ARG A 106 16.689 -12.335 10.539 1.00 0.00 C ATOM 1594 O ARG A 106 16.534 -11.872 11.668 1.00 0.00 O ATOM 1595 CB ARG A 106 15.889 -14.630 9.956 1.00 0.00 C ATOM 1596 CG ARG A 106 16.320 -15.111 11.343 1.00 0.00 C ATOM 1597 CD ARG A 106 16.694 -16.594 11.308 1.00 0.00 C ATOM 1598 NE ARG A 106 16.561 -17.108 12.701 1.00 0.00 N ATOM 1599 CZ ARG A 106 16.067 -18.357 12.942 1.00 0.00 C ATOM 1600 NH1 ARG A 106 15.592 -19.164 11.949 1.00 0.00 N ATOM 1601 NH2 ARG A 106 16.245 -18.910 14.178 1.00 0.00 N ATOM 0 H ARG A 106 15.474 -13.375 7.980 1.00 0.00 H new ATOM 0 HA ARG A 106 14.729 -12.941 10.699 1.00 0.00 H new ATOM 0 HB2 ARG A 106 15.023 -15.198 9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 106 16.688 -14.807 9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 106 17.171 -14.524 11.689 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.512 -14.951 12.056 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.039 -17.141 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 106 17.713 -16.727 10.943 1.00 0.00 H new ATOM 0 HE ARG A 106 16.843 -16.518 13.484 1.00 0.00 H new ATOM 0 HH11 ARG A 106 15.598 -18.840 10.982 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.232 -20.091 12.174 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.740 -18.390 14.903 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.883 -19.843 14.376 1.00 0.00 H new ATOM 1615 N HIS A 107 17.795 -12.095 9.812 1.00 0.00 N ATOM 1616 CA HIS A 107 18.831 -11.159 10.123 1.00 0.00 C ATOM 1617 C HIS A 107 18.261 -9.794 10.304 1.00 0.00 C ATOM 1618 O HIS A 107 18.259 -9.159 11.357 1.00 0.00 O ATOM 1619 CB HIS A 107 19.833 -11.288 8.964 1.00 0.00 C ATOM 1620 CG HIS A 107 20.884 -10.224 8.846 1.00 0.00 C ATOM 1621 ND1 HIS A 107 21.805 -10.011 9.851 1.00 0.00 N ATOM 1622 CD2 HIS A 107 21.007 -9.228 7.929 1.00 0.00 C ATOM 1623 CE1 HIS A 107 22.521 -8.929 9.446 1.00 0.00 C ATOM 1624 NE2 HIS A 107 22.051 -8.416 8.324 1.00 0.00 N ATOM 0 H HIS A 107 17.978 -12.594 8.941 1.00 0.00 H new ATOM 0 HA HIS A 107 19.337 -11.357 11.068 1.00 0.00 H new ATOM 0 HB2 HIS A 107 20.336 -12.251 9.057 1.00 0.00 H new ATOM 0 HB3 HIS A 107 19.270 -11.312 8.031 1.00 0.00 H new ATOM 0 HD2 HIS A 107 20.396 -9.096 7.048 1.00 0.00 H new ATOM 0 HE1 HIS A 107 23.374 -8.535 9.979 1.00 0.00 H new ATOM 0 HE2 HIS A 107 22.392 -7.583 7.844 1.00 0.00 H new ATOM 1632 N VAL A 108 17.551 -9.216 9.318 1.00 0.00 N ATOM 1633 CA VAL A 108 16.927 -7.930 9.269 1.00 0.00 C ATOM 1634 C VAL A 108 16.061 -7.615 10.440 1.00 0.00 C ATOM 1635 O VAL A 108 16.179 -6.588 11.108 1.00 0.00 O ATOM 1636 CB VAL A 108 16.320 -7.579 7.943 1.00 0.00 C ATOM 1637 CG1 VAL A 108 15.737 -6.156 7.986 1.00 0.00 C ATOM 1638 CG2 VAL A 108 17.480 -7.617 6.933 1.00 0.00 C ATOM 0 H VAL A 108 17.398 -9.720 8.444 1.00 0.00 H new ATOM 0 HA VAL A 108 17.764 -7.239 9.366 1.00 0.00 H new ATOM 0 HB VAL A 108 15.516 -8.266 7.680 1.00 0.00 H new ATOM 0 HG11 VAL A 108 15.299 -5.913 7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 108 14.968 -6.101 8.756 1.00 0.00 H new ATOM 0 HG13 VAL A 108 16.530 -5.444 8.215 1.00 0.00 H new ATOM 0 HG21 VAL A 108 17.106 -7.369 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 108 18.241 -6.893 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 108 17.916 -8.616 6.918 1.00 0.00 H new ATOM 1648 N MET A 109 15.136 -8.537 10.758 1.00 0.00 N ATOM 1649 CA MET A 109 14.321 -8.381 11.923 1.00 0.00 C ATOM 1650 C MET A 109 14.989 -8.570 13.241 1.00 0.00 C ATOM 1651 O MET A 109 14.487 -8.075 14.250 1.00 0.00 O ATOM 1652 CB MET A 109 13.017 -9.167 11.705 1.00 0.00 C ATOM 1653 CG MET A 109 12.160 -8.583 10.580 1.00 0.00 C ATOM 1654 SD MET A 109 12.036 -6.785 10.335 1.00 0.00 S ATOM 1655 CE MET A 109 11.125 -7.003 8.780 1.00 0.00 C ATOM 0 H MET A 109 14.953 -9.382 10.216 1.00 0.00 H new ATOM 0 HA MET A 109 14.080 -7.323 12.024 1.00 0.00 H new ATOM 0 HB2 MET A 109 13.257 -10.205 11.473 1.00 0.00 H new ATOM 0 HB3 MET A 109 12.441 -9.172 12.630 1.00 0.00 H new ATOM 0 HG2 MET A 109 12.527 -9.008 9.646 1.00 0.00 H new ATOM 0 HG3 MET A 109 11.146 -8.956 10.724 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.342 -6.248 8.708 1.00 0.00 H new ATOM 0 HE2 MET A 109 11.810 -6.897 7.939 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.675 -7.996 8.758 1.00 0.00 H new ATOM 1665 N THR A 110 16.156 -9.239 13.253 1.00 0.00 N ATOM 1666 CA THR A 110 17.000 -9.189 14.406 1.00 0.00 C ATOM 1667 C THR A 110 17.680 -7.874 14.572 1.00 0.00 C ATOM 1668 O THR A 110 17.952 -7.401 15.674 1.00 0.00 O ATOM 1669 CB THR A 110 18.025 -10.283 14.396 1.00 0.00 C ATOM 1670 OG1 THR A 110 17.316 -11.494 14.177 1.00 0.00 O ATOM 1671 CG2 THR A 110 18.892 -10.335 15.666 1.00 0.00 C ATOM 0 H THR A 110 16.510 -9.804 12.481 1.00 0.00 H new ATOM 0 HA THR A 110 16.333 -9.332 15.257 1.00 0.00 H new ATOM 0 HB THR A 110 18.750 -10.100 13.603 1.00 0.00 H new ATOM 0 HG1 THR A 110 17.229 -11.653 13.214 1.00 0.00 H new ATOM 0 HG21 THR A 110 19.609 -11.152 15.584 1.00 0.00 H new ATOM 0 HG22 THR A 110 19.427 -9.392 15.780 1.00 0.00 H new ATOM 0 HG23 THR A 110 18.255 -10.498 16.535 1.00 0.00 H new ATOM 1679 N ASN A 111 18.066 -7.240 13.450 1.00 0.00 N ATOM 1680 CA ASN A 111 18.832 -6.033 13.463 1.00 0.00 C ATOM 1681 C ASN A 111 17.970 -4.901 13.907 1.00 0.00 C ATOM 1682 O ASN A 111 18.414 -3.940 14.534 1.00 0.00 O ATOM 1683 CB ASN A 111 19.309 -5.658 12.050 1.00 0.00 C ATOM 1684 CG ASN A 111 20.447 -6.598 11.677 1.00 0.00 C ATOM 1685 OD1 ASN A 111 20.810 -7.526 12.398 1.00 0.00 O ATOM 1686 ND2 ASN A 111 20.784 -6.476 10.365 1.00 0.00 N ATOM 0 H ASN A 111 17.841 -7.574 12.513 1.00 0.00 H new ATOM 0 HA ASN A 111 19.680 -6.201 14.127 1.00 0.00 H new ATOM 0 HB2 ASN A 111 18.491 -5.746 11.335 1.00 0.00 H new ATOM 0 HB3 ASN A 111 19.646 -4.622 12.023 1.00 0.00 H new ATOM 0 HD21 ASN A 111 21.373 -7.181 9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 111 20.448 -5.679 9.824 1.00 0.00 H new ATOM 1693 N LEU A 112 16.652 -5.015 13.665 1.00 0.00 N ATOM 1694 CA LEU A 112 15.681 -4.037 14.046 1.00 0.00 C ATOM 1695 C LEU A 112 15.507 -4.062 15.526 1.00 0.00 C ATOM 1696 O LEU A 112 15.898 -3.167 16.273 1.00 0.00 O ATOM 1697 CB LEU A 112 14.432 -4.164 13.157 1.00 0.00 C ATOM 1698 CG LEU A 112 14.012 -2.805 12.572 1.00 0.00 C ATOM 1699 CD1 LEU A 112 13.035 -2.928 11.391 1.00 0.00 C ATOM 1700 CD2 LEU A 112 13.365 -1.844 13.584 1.00 0.00 C ATOM 0 H LEU A 112 16.247 -5.819 13.186 1.00 0.00 H new ATOM 0 HA LEU A 112 16.007 -3.015 13.852 1.00 0.00 H new ATOM 0 HB2 LEU A 112 14.632 -4.864 12.346 1.00 0.00 H new ATOM 0 HB3 LEU A 112 13.610 -4.579 13.740 1.00 0.00 H new ATOM 0 HG LEU A 112 14.966 -2.392 12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.779 -1.934 11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.503 -3.500 10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.129 -3.438 11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.101 -0.912 13.084 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.466 -2.301 13.996 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.069 -1.637 14.390 1.00 0.00 H new ATOM 1712 N GLY A 113 14.966 -5.140 16.121 1.00 0.00 N ATOM 1713 CA GLY A 113 14.723 -5.141 17.530 1.00 0.00 C ATOM 1714 C GLY A 113 14.158 -6.369 18.156 1.00 0.00 C ATOM 1715 O GLY A 113 14.494 -6.642 19.307 1.00 0.00 O ATOM 0 H GLY A 113 14.701 -5.997 15.636 1.00 0.00 H new ATOM 0 HA2 GLY A 113 15.667 -4.920 18.029 1.00 0.00 H new ATOM 0 HA3 GLY A 113 14.045 -4.316 17.749 1.00 0.00 H new ATOM 1719 N GLU A 114 13.362 -7.166 17.420 1.00 0.00 N ATOM 1720 CA GLU A 114 12.850 -8.384 17.967 1.00 0.00 C ATOM 1721 C GLU A 114 13.895 -9.422 18.190 1.00 0.00 C ATOM 1722 O GLU A 114 14.917 -9.525 17.513 1.00 0.00 O ATOM 1723 CB GLU A 114 11.869 -8.974 16.940 1.00 0.00 C ATOM 1724 CG GLU A 114 10.579 -8.161 16.806 1.00 0.00 C ATOM 1725 CD GLU A 114 9.736 -7.892 18.044 1.00 0.00 C ATOM 1726 OE1 GLU A 114 9.251 -8.836 18.723 1.00 0.00 O ATOM 1727 OE2 GLU A 114 9.402 -6.712 18.332 1.00 0.00 O ATOM 0 H GLU A 114 13.076 -6.971 16.460 1.00 0.00 H new ATOM 0 HA GLU A 114 12.400 -8.140 18.929 1.00 0.00 H new ATOM 0 HB2 GLU A 114 12.359 -9.029 15.968 1.00 0.00 H new ATOM 0 HB3 GLU A 114 11.620 -9.995 17.229 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.843 -7.196 16.374 1.00 0.00 H new ATOM 0 HG3 GLU A 114 9.944 -8.671 16.082 1.00 0.00 H new ATOM 1734 N LYS A 115 13.625 -10.330 19.144 1.00 0.00 N ATOM 1735 CA LYS A 115 14.408 -11.523 19.239 1.00 0.00 C ATOM 1736 C LYS A 115 13.582 -12.669 18.766 1.00 0.00 C ATOM 1737 O LYS A 115 12.483 -12.875 19.279 1.00 0.00 O ATOM 1738 CB LYS A 115 14.770 -11.850 20.697 1.00 0.00 C ATOM 1739 CG LYS A 115 15.617 -10.715 21.276 1.00 0.00 C ATOM 1740 CD LYS A 115 16.134 -11.196 22.634 1.00 0.00 C ATOM 1741 CE LYS A 115 17.062 -10.183 23.308 1.00 0.00 C ATOM 1742 NZ LYS A 115 16.642 -8.768 23.195 1.00 0.00 N ATOM 0 H LYS A 115 12.881 -10.243 19.836 1.00 0.00 H new ATOM 0 HA LYS A 115 15.312 -11.369 18.650 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.864 -11.980 21.288 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.320 -12.790 20.745 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.446 -10.473 20.611 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.023 -9.808 21.388 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.287 -11.398 23.289 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.666 -12.138 22.502 1.00 0.00 H new ATOM 0 HE2 LYS A 115 17.144 -10.437 24.365 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.058 -10.285 22.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 17.264 -8.173 23.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.706 -8.465 22.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.660 -8.670 23.524 1.00 0.00 H new ATOM 1756 N LEU A 116 14.114 -13.427 17.791 1.00 0.00 N ATOM 1757 CA LEU A 116 13.323 -14.371 17.064 1.00 0.00 C ATOM 1758 C LEU A 116 13.745 -15.768 17.362 1.00 0.00 C ATOM 1759 O LEU A 116 14.913 -16.134 17.235 1.00 0.00 O ATOM 1760 CB LEU A 116 13.437 -14.140 15.548 1.00 0.00 C ATOM 1761 CG LEU A 116 13.064 -12.702 15.150 1.00 0.00 C ATOM 1762 CD1 LEU A 116 13.602 -12.400 13.741 1.00 0.00 C ATOM 1763 CD2 LEU A 116 11.546 -12.457 15.194 1.00 0.00 C ATOM 0 H LEU A 116 15.092 -13.386 17.506 1.00 0.00 H new ATOM 0 HA LEU A 116 12.290 -14.226 17.379 1.00 0.00 H new ATOM 0 HB2 LEU A 116 14.456 -14.352 15.226 1.00 0.00 H new ATOM 0 HB3 LEU A 116 12.786 -14.840 15.025 1.00 0.00 H new ATOM 0 HG LEU A 116 13.521 -12.031 15.878 1.00 0.00 H new ATOM 0 HD11 LEU A 116 13.337 -11.381 13.461 1.00 0.00 H new ATOM 0 HD12 LEU A 116 14.687 -12.507 13.735 1.00 0.00 H new ATOM 0 HD13 LEU A 116 13.164 -13.098 13.027 1.00 0.00 H new ATOM 0 HD21 LEU A 116 11.335 -11.427 14.905 1.00 0.00 H new ATOM 0 HD22 LEU A 116 11.047 -13.137 14.504 1.00 0.00 H new ATOM 0 HD23 LEU A 116 11.178 -12.632 16.205 1.00 0.00 H new ATOM 1775 N THR A 117 12.850 -16.703 17.726 1.00 0.00 N ATOM 1776 CA THR A 117 13.026 -18.104 17.494 1.00 0.00 C ATOM 1777 C THR A 117 12.522 -18.464 16.139 1.00 0.00 C ATOM 1778 O THR A 117 11.987 -17.702 15.335 1.00 0.00 O ATOM 1779 CB THR A 117 12.159 -18.777 18.517 1.00 0.00 C ATOM 1780 OG1 THR A 117 10.826 -18.287 18.505 1.00 0.00 O ATOM 1781 CG2 THR A 117 12.628 -18.311 19.906 1.00 0.00 C ATOM 0 H THR A 117 11.974 -16.477 18.198 1.00 0.00 H new ATOM 0 HA THR A 117 14.074 -18.395 17.560 1.00 0.00 H new ATOM 0 HB THR A 117 12.213 -19.846 18.310 1.00 0.00 H new ATOM 0 HG1 THR A 117 10.299 -18.755 19.186 1.00 0.00 H new ATOM 0 HG21 THR A 117 12.016 -18.784 20.674 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.672 -18.591 20.050 1.00 0.00 H new ATOM 0 HG23 THR A 117 12.529 -17.228 19.979 1.00 0.00 H new ATOM 1789 N ASP A 118 12.789 -19.686 15.645 1.00 0.00 N ATOM 1790 CA ASP A 118 12.350 -20.271 14.416 1.00 0.00 C ATOM 1791 C ASP A 118 10.880 -20.150 14.208 1.00 0.00 C ATOM 1792 O ASP A 118 10.348 -19.707 13.192 1.00 0.00 O ATOM 1793 CB ASP A 118 12.855 -21.716 14.267 1.00 0.00 C ATOM 1794 CG ASP A 118 14.349 -21.943 14.447 1.00 0.00 C ATOM 1795 OD1 ASP A 118 15.080 -21.437 13.554 1.00 0.00 O ATOM 1796 OD2 ASP A 118 14.718 -22.574 15.474 1.00 0.00 O ATOM 0 H ASP A 118 13.379 -20.334 16.168 1.00 0.00 H new ATOM 0 HA ASP A 118 12.804 -19.691 13.612 1.00 0.00 H new ATOM 0 HB2 ASP A 118 12.327 -22.337 14.991 1.00 0.00 H new ATOM 0 HB3 ASP A 118 12.574 -22.074 13.276 1.00 0.00 H new ATOM 1801 N GLU A 119 10.163 -20.457 15.304 1.00 0.00 N ATOM 1802 CA GLU A 119 8.738 -20.358 15.372 1.00 0.00 C ATOM 1803 C GLU A 119 8.151 -18.994 15.250 1.00 0.00 C ATOM 1804 O GLU A 119 7.102 -18.734 14.663 1.00 0.00 O ATOM 1805 CB GLU A 119 8.074 -21.147 16.514 1.00 0.00 C ATOM 1806 CG GLU A 119 8.540 -20.751 17.916 1.00 0.00 C ATOM 1807 CD GLU A 119 7.592 -21.391 18.921 1.00 0.00 C ATOM 1808 OE1 GLU A 119 6.354 -21.163 18.862 1.00 0.00 O ATOM 1809 OE2 GLU A 119 8.134 -22.180 19.740 1.00 0.00 O ATOM 0 H GLU A 119 10.589 -20.785 16.171 1.00 0.00 H new ATOM 0 HA GLU A 119 8.479 -20.864 14.442 1.00 0.00 H new ATOM 0 HB2 GLU A 119 6.994 -21.011 16.452 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.270 -22.209 16.366 1.00 0.00 H new ATOM 0 HG2 GLU A 119 9.562 -21.088 18.088 1.00 0.00 H new ATOM 0 HG3 GLU A 119 8.539 -19.667 18.027 1.00 0.00 H new ATOM 1816 N GLU A 120 8.972 -18.000 15.632 1.00 0.00 N ATOM 1817 CA GLU A 120 8.867 -16.581 15.489 1.00 0.00 C ATOM 1818 C GLU A 120 9.023 -16.092 14.090 1.00 0.00 C ATOM 1819 O GLU A 120 8.090 -15.469 13.585 1.00 0.00 O ATOM 1820 CB GLU A 120 9.773 -15.726 16.390 1.00 0.00 C ATOM 1821 CG GLU A 120 9.172 -14.434 16.946 1.00 0.00 C ATOM 1822 CD GLU A 120 8.021 -14.585 17.930 1.00 0.00 C ATOM 1823 OE1 GLU A 120 8.304 -14.710 19.152 1.00 0.00 O ATOM 1824 OE2 GLU A 120 6.854 -14.499 17.463 1.00 0.00 O ATOM 0 H GLU A 120 9.840 -18.235 16.114 1.00 0.00 H new ATOM 0 HA GLU A 120 7.841 -16.437 15.827 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.093 -16.341 17.231 1.00 0.00 H new ATOM 0 HB3 GLU A 120 10.668 -15.468 15.824 1.00 0.00 H new ATOM 0 HG2 GLU A 120 9.967 -13.872 17.436 1.00 0.00 H new ATOM 0 HG3 GLU A 120 8.826 -13.831 16.107 1.00 0.00 H new ATOM 1831 N VAL A 121 10.086 -16.522 13.387 1.00 0.00 N ATOM 1832 CA VAL A 121 10.257 -16.338 11.979 1.00 0.00 C ATOM 1833 C VAL A 121 9.202 -17.001 11.163 1.00 0.00 C ATOM 1834 O VAL A 121 8.605 -16.399 10.272 1.00 0.00 O ATOM 1835 CB VAL A 121 11.645 -16.783 11.623 1.00 0.00 C ATOM 1836 CG1 VAL A 121 11.960 -16.594 10.130 1.00 0.00 C ATOM 1837 CG2 VAL A 121 12.669 -15.863 12.308 1.00 0.00 C ATOM 0 H VAL A 121 10.863 -17.021 13.821 1.00 0.00 H new ATOM 0 HA VAL A 121 10.139 -15.282 11.737 1.00 0.00 H new ATOM 0 HB VAL A 121 11.701 -17.830 11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 121 12.976 -16.932 9.927 1.00 0.00 H new ATOM 0 HG12 VAL A 121 11.258 -17.177 9.533 1.00 0.00 H new ATOM 0 HG13 VAL A 121 11.869 -15.539 9.870 1.00 0.00 H new ATOM 0 HG21 VAL A 121 13.678 -16.186 12.050 1.00 0.00 H new ATOM 0 HG22 VAL A 121 12.519 -14.837 11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 121 12.537 -15.913 13.389 1.00 0.00 H new ATOM 1847 N ASP A 122 8.815 -18.254 11.462 1.00 0.00 N ATOM 1848 CA ASP A 122 7.757 -18.982 10.833 1.00 0.00 C ATOM 1849 C ASP A 122 6.480 -18.235 11.008 1.00 0.00 C ATOM 1850 O ASP A 122 5.813 -18.156 9.978 1.00 0.00 O ATOM 1851 CB ASP A 122 7.510 -20.381 11.423 1.00 0.00 C ATOM 1852 CG ASP A 122 8.628 -21.359 11.090 1.00 0.00 C ATOM 1853 OD1 ASP A 122 9.343 -21.101 10.086 1.00 0.00 O ATOM 1854 OD2 ASP A 122 8.699 -22.446 11.724 1.00 0.00 O ATOM 0 H ASP A 122 9.274 -18.795 12.195 1.00 0.00 H new ATOM 0 HA ASP A 122 8.064 -19.094 9.793 1.00 0.00 H new ATOM 0 HB2 ASP A 122 7.410 -20.303 12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 122 6.566 -20.771 11.043 1.00 0.00 H new ATOM 1859 N GLU A 123 6.084 -17.734 12.192 1.00 0.00 N ATOM 1860 CA GLU A 123 4.899 -16.952 12.364 1.00 0.00 C ATOM 1861 C GLU A 123 4.918 -15.680 11.588 1.00 0.00 C ATOM 1862 O GLU A 123 3.879 -15.287 11.060 1.00 0.00 O ATOM 1863 CB GLU A 123 4.592 -16.891 13.870 1.00 0.00 C ATOM 1864 CG GLU A 123 3.336 -16.085 14.207 1.00 0.00 C ATOM 1865 CD GLU A 123 3.393 -15.580 15.641 1.00 0.00 C ATOM 1866 OE1 GLU A 123 3.504 -16.480 16.515 1.00 0.00 O ATOM 1867 OE2 GLU A 123 3.264 -14.367 15.958 1.00 0.00 O ATOM 0 H GLU A 123 6.605 -17.878 13.057 1.00 0.00 H new ATOM 0 HA GLU A 123 4.029 -17.422 11.906 1.00 0.00 H new ATOM 0 HB2 GLU A 123 4.475 -17.906 14.250 1.00 0.00 H new ATOM 0 HB3 GLU A 123 5.445 -16.453 14.389 1.00 0.00 H new ATOM 0 HG2 GLU A 123 3.244 -15.242 13.522 1.00 0.00 H new ATOM 0 HG3 GLU A 123 2.451 -16.706 14.069 1.00 0.00 H new ATOM 1874 N MET A 124 6.106 -15.050 11.561 1.00 0.00 N ATOM 1875 CA MET A 124 6.354 -13.876 10.784 1.00 0.00 C ATOM 1876 C MET A 124 6.074 -14.202 9.357 1.00 0.00 C ATOM 1877 O MET A 124 5.292 -13.523 8.693 1.00 0.00 O ATOM 1878 CB MET A 124 7.741 -13.321 11.150 1.00 0.00 C ATOM 1879 CG MET A 124 8.253 -12.139 10.323 1.00 0.00 C ATOM 1880 SD MET A 124 10.037 -11.879 10.562 1.00 0.00 S ATOM 1881 CE MET A 124 9.849 -11.074 12.179 1.00 0.00 C ATOM 0 H MET A 124 6.916 -15.366 12.094 1.00 0.00 H new ATOM 0 HA MET A 124 5.689 -13.040 11.001 1.00 0.00 H new ATOM 0 HB2 MET A 124 7.720 -13.019 12.197 1.00 0.00 H new ATOM 0 HB3 MET A 124 8.464 -14.132 11.066 1.00 0.00 H new ATOM 0 HG2 MET A 124 8.049 -12.317 9.267 1.00 0.00 H new ATOM 0 HG3 MET A 124 7.712 -11.236 10.604 1.00 0.00 H new ATOM 0 HE1 MET A 124 10.826 -10.754 12.542 1.00 0.00 H new ATOM 0 HE2 MET A 124 9.196 -10.207 12.080 1.00 0.00 H new ATOM 0 HE3 MET A 124 9.412 -11.778 12.887 1.00 0.00 H new ATOM 1891 N ILE A 125 6.618 -15.283 8.771 1.00 0.00 N ATOM 1892 CA ILE A 125 6.291 -15.791 7.475 1.00 0.00 C ATOM 1893 C ILE A 125 4.867 -16.120 7.188 1.00 0.00 C ATOM 1894 O ILE A 125 4.194 -15.594 6.303 1.00 0.00 O ATOM 1895 CB ILE A 125 7.147 -17.000 7.235 1.00 0.00 C ATOM 1896 CG1 ILE A 125 8.616 -16.559 7.133 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.700 -17.654 5.917 1.00 0.00 C ATOM 1898 CD1 ILE A 125 9.663 -17.656 7.318 1.00 0.00 C ATOM 0 H ILE A 125 7.336 -15.840 9.235 1.00 0.00 H new ATOM 0 HA ILE A 125 6.485 -14.964 6.792 1.00 0.00 H new ATOM 0 HB ILE A 125 7.046 -17.714 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 125 8.769 -16.100 6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 125 8.794 -15.785 7.880 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.310 -18.536 5.723 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.653 -17.947 5.993 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.820 -16.943 5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 125 10.660 -17.226 7.225 1.00 0.00 H new ATOM 0 HD12 ILE A 125 9.551 -18.103 8.306 1.00 0.00 H new ATOM 0 HD13 ILE A 125 9.526 -18.423 6.555 1.00 0.00 H new ATOM 1910 N ARG A 126 4.252 -16.903 8.093 1.00 0.00 N ATOM 1911 CA ARG A 126 2.898 -17.355 8.179 1.00 0.00 C ATOM 1912 C ARG A 126 1.904 -16.297 7.844 1.00 0.00 C ATOM 1913 O ARG A 126 1.127 -16.507 6.914 1.00 0.00 O ATOM 1914 CB ARG A 126 2.546 -18.190 9.422 1.00 0.00 C ATOM 1915 CG ARG A 126 1.329 -19.098 9.237 1.00 0.00 C ATOM 1916 CD ARG A 126 -0.077 -18.511 9.367 1.00 0.00 C ATOM 1917 NE ARG A 126 -1.083 -19.511 8.912 1.00 0.00 N ATOM 1918 CZ ARG A 126 -2.421 -19.239 8.949 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -2.890 -18.084 9.504 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -3.386 -20.080 8.476 1.00 0.00 N ATOM 0 H ARG A 126 4.791 -17.270 8.878 1.00 0.00 H new ATOM 0 HA ARG A 126 2.820 -18.093 7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 126 3.406 -18.803 9.691 1.00 0.00 H new ATOM 0 HB3 ARG A 126 2.360 -17.517 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 126 1.405 -19.547 8.247 1.00 0.00 H new ATOM 0 HG3 ARG A 126 1.413 -19.908 9.962 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.270 -18.232 10.403 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.158 -17.602 8.771 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.766 -20.417 8.566 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.238 -17.407 9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.893 -17.898 9.523 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.125 -20.975 8.063 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.369 -19.813 8.535 1.00 0.00 H new ATOM 1934 N GLU A 127 1.985 -15.098 8.449 1.00 0.00 N ATOM 1935 CA GLU A 127 1.054 -14.057 8.143 1.00 0.00 C ATOM 1936 C GLU A 127 1.493 -13.253 6.968 1.00 0.00 C ATOM 1937 O GLU A 127 0.684 -12.596 6.315 1.00 0.00 O ATOM 1938 CB GLU A 127 0.736 -13.186 9.370 1.00 0.00 C ATOM 1939 CG GLU A 127 0.144 -14.025 10.504 1.00 0.00 C ATOM 1940 CD GLU A 127 -1.286 -14.492 10.268 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.205 -13.661 10.041 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -1.576 -15.694 10.508 1.00 0.00 O ATOM 0 H GLU A 127 2.689 -14.851 9.144 1.00 0.00 H new ATOM 0 HA GLU A 127 0.117 -14.536 7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.645 -12.693 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 127 0.034 -12.401 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.776 -14.899 10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.174 -13.441 11.424 1.00 0.00 H new ATOM 1949 N ALA A 128 2.813 -13.199 6.716 1.00 0.00 N ATOM 1950 CA ALA A 128 3.312 -12.473 5.589 1.00 0.00 C ATOM 1951 C ALA A 128 3.007 -13.025 4.240 1.00 0.00 C ATOM 1952 O ALA A 128 2.538 -12.354 3.322 1.00 0.00 O ATOM 1953 CB ALA A 128 4.833 -12.310 5.745 1.00 0.00 C ATOM 0 H ALA A 128 3.528 -13.652 7.285 1.00 0.00 H new ATOM 0 HA ALA A 128 2.777 -11.524 5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.229 -11.758 4.893 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.048 -11.763 6.663 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.302 -13.293 5.790 1.00 0.00 H new ATOM 1959 N ASP A 129 3.124 -14.348 4.024 1.00 0.00 N ATOM 1960 CA ASP A 129 3.439 -15.086 2.841 1.00 0.00 C ATOM 1961 C ASP A 129 2.234 -15.587 2.123 1.00 0.00 C ATOM 1962 O ASP A 129 1.365 -16.211 2.730 1.00 0.00 O ATOM 1963 CB ASP A 129 4.496 -16.167 3.126 1.00 0.00 C ATOM 1964 CG ASP A 129 5.347 -16.445 1.896 1.00 0.00 C ATOM 1965 OD1 ASP A 129 4.842 -17.030 0.901 1.00 0.00 O ATOM 1966 OD2 ASP A 129 6.597 -16.301 1.822 1.00 0.00 O ATOM 0 H ASP A 129 2.973 -14.990 4.802 1.00 0.00 H new ATOM 0 HA ASP A 129 3.894 -14.391 2.135 1.00 0.00 H new ATOM 0 HB2 ASP A 129 5.135 -15.846 3.948 1.00 0.00 H new ATOM 0 HB3 ASP A 129 4.003 -17.085 3.445 1.00 0.00 H new ATOM 1971 N ILE A 130 2.077 -15.326 0.813 1.00 0.00 N ATOM 1972 CA ILE A 130 1.038 -15.880 0.002 1.00 0.00 C ATOM 1973 C ILE A 130 1.286 -17.267 -0.485 1.00 0.00 C ATOM 1974 O ILE A 130 0.346 -18.050 -0.362 1.00 0.00 O ATOM 1975 CB ILE A 130 0.680 -14.931 -1.103 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -0.585 -14.219 -0.593 1.00 0.00 C ATOM 1977 CG2 ILE A 130 0.292 -15.559 -2.452 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -0.569 -12.827 -1.222 1.00 0.00 C ATOM 0 H ILE A 130 2.700 -14.703 0.298 1.00 0.00 H new ATOM 0 HA ILE A 130 0.175 -15.998 0.657 1.00 0.00 H new ATOM 0 HB ILE A 130 1.561 -14.321 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -1.483 -14.766 -0.880 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.585 -14.155 0.495 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.056 -14.770 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 130 1.124 -16.153 -2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -0.580 -16.200 -2.318 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.447 -12.270 -0.896 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.332 -12.298 -0.912 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -0.580 -12.918 -2.308 1.00 0.00 H new ATOM 1990 N ASP A 131 2.515 -17.642 -0.880 1.00 0.00 N ATOM 1991 CA ASP A 131 2.901 -18.960 -1.277 1.00 0.00 C ATOM 1992 C ASP A 131 3.033 -19.874 -0.107 1.00 0.00 C ATOM 1993 O ASP A 131 3.049 -21.094 -0.257 1.00 0.00 O ATOM 1994 CB ASP A 131 4.216 -19.038 -2.071 1.00 0.00 C ATOM 1995 CG ASP A 131 4.515 -17.833 -2.951 1.00 0.00 C ATOM 1996 OD1 ASP A 131 5.033 -16.805 -2.439 1.00 0.00 O ATOM 1997 OD2 ASP A 131 4.196 -17.819 -4.170 1.00 0.00 O ATOM 0 H ASP A 131 3.290 -16.980 -0.925 1.00 0.00 H new ATOM 0 HA ASP A 131 2.090 -19.271 -1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 131 5.039 -19.167 -1.368 1.00 0.00 H new ATOM 0 HB3 ASP A 131 4.190 -19.929 -2.699 1.00 0.00 H new ATOM 2002 N GLY A 132 3.363 -19.339 1.082 1.00 0.00 N ATOM 2003 CA GLY A 132 4.040 -20.093 2.090 1.00 0.00 C ATOM 2004 C GLY A 132 5.428 -20.532 1.773 1.00 0.00 C ATOM 2005 O GLY A 132 6.010 -21.449 2.352 1.00 0.00 O ATOM 0 H GLY A 132 3.159 -18.375 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 132 4.071 -19.494 3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 132 3.444 -20.979 2.311 1.00 0.00 H new ATOM 2009 N ASP A 133 6.101 -19.868 0.816 1.00 0.00 N ATOM 2010 CA ASP A 133 7.440 -20.179 0.420 1.00 0.00 C ATOM 2011 C ASP A 133 8.481 -19.923 1.454 1.00 0.00 C ATOM 2012 O ASP A 133 9.510 -20.596 1.491 1.00 0.00 O ATOM 2013 CB ASP A 133 7.727 -19.958 -1.075 1.00 0.00 C ATOM 2014 CG ASP A 133 7.982 -18.541 -1.567 1.00 0.00 C ATOM 2015 OD1 ASP A 133 8.076 -17.605 -0.729 1.00 0.00 O ATOM 2016 OD2 ASP A 133 8.105 -18.362 -2.808 1.00 0.00 O ATOM 0 H ASP A 133 5.698 -19.086 0.299 1.00 0.00 H new ATOM 0 HA ASP A 133 7.543 -21.264 0.422 1.00 0.00 H new ATOM 0 HB2 ASP A 133 8.596 -20.561 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 133 6.882 -20.356 -1.636 1.00 0.00 H new ATOM 2021 N GLY A 134 8.251 -18.940 2.342 1.00 0.00 N ATOM 2022 CA GLY A 134 9.204 -18.357 3.234 1.00 0.00 C ATOM 2023 C GLY A 134 9.846 -17.084 2.799 1.00 0.00 C ATOM 2024 O GLY A 134 10.299 -16.271 3.604 1.00 0.00 O ATOM 0 H GLY A 134 7.326 -18.521 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 134 8.709 -18.178 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 134 9.991 -19.089 3.415 1.00 0.00 H new ATOM 2028 N GLN A 135 9.931 -16.863 1.475 1.00 0.00 N ATOM 2029 CA GLN A 135 10.577 -15.682 0.990 1.00 0.00 C ATOM 2030 C GLN A 135 9.580 -14.578 0.910 1.00 0.00 C ATOM 2031 O GLN A 135 8.519 -14.672 0.294 1.00 0.00 O ATOM 2032 CB GLN A 135 11.084 -15.784 -0.458 1.00 0.00 C ATOM 2033 CG GLN A 135 11.989 -16.971 -0.795 1.00 0.00 C ATOM 2034 CD GLN A 135 12.957 -16.687 -1.935 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.176 -16.728 -1.777 1.00 0.00 O ATOM 2036 NE2 GLN A 135 12.402 -16.386 -3.140 1.00 0.00 N ATOM 0 H GLN A 135 9.563 -17.485 0.755 1.00 0.00 H new ATOM 0 HA GLN A 135 11.407 -15.524 1.679 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.218 -15.820 -1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 135 11.626 -14.868 -0.693 1.00 0.00 H new ATOM 0 HG2 GLN A 135 12.556 -17.250 0.093 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.369 -17.828 -1.059 1.00 0.00 H new ATOM 0 HE21 GLN A 135 11.387 -16.359 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 135 13.000 -16.187 -3.942 1.00 0.00 H new ATOM 2045 N VAL A 136 9.763 -13.390 1.513 1.00 0.00 N ATOM 2046 CA VAL A 136 8.829 -12.309 1.452 1.00 0.00 C ATOM 2047 C VAL A 136 9.088 -11.405 0.296 1.00 0.00 C ATOM 2048 O VAL A 136 10.067 -10.660 0.274 1.00 0.00 O ATOM 2049 CB VAL A 136 8.668 -11.653 2.792 1.00 0.00 C ATOM 2050 CG1 VAL A 136 8.072 -10.236 2.733 1.00 0.00 C ATOM 2051 CG2 VAL A 136 7.870 -12.662 3.634 1.00 0.00 C ATOM 0 H VAL A 136 10.594 -13.174 2.064 1.00 0.00 H new ATOM 0 HA VAL A 136 7.838 -12.705 1.232 1.00 0.00 H new ATOM 0 HB VAL A 136 9.633 -11.445 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 136 7.989 -9.834 3.743 1.00 0.00 H new ATOM 0 HG12 VAL A 136 8.721 -9.593 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 136 7.083 -10.276 2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 136 7.709 -12.256 4.633 1.00 0.00 H new ATOM 0 HG22 VAL A 136 6.907 -12.850 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 136 8.427 -13.596 3.707 1.00 0.00 H new ATOM 2061 N ASN A 137 8.214 -11.393 -0.726 1.00 0.00 N ATOM 2062 CA ASN A 137 8.290 -10.512 -1.850 1.00 0.00 C ATOM 2063 C ASN A 137 7.663 -9.215 -1.467 1.00 0.00 C ATOM 2064 O ASN A 137 7.330 -8.915 -0.322 1.00 0.00 O ATOM 2065 CB ASN A 137 7.690 -11.161 -3.108 1.00 0.00 C ATOM 2066 CG ASN A 137 6.204 -11.133 -3.440 1.00 0.00 C ATOM 2067 OD1 ASN A 137 5.457 -10.244 -3.035 1.00 0.00 O ATOM 2068 ND2 ASN A 137 5.658 -12.122 -4.197 1.00 0.00 N ATOM 0 H ASN A 137 7.417 -12.028 -0.771 1.00 0.00 H new ATOM 0 HA ASN A 137 9.327 -10.310 -2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 137 8.203 -10.713 -3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 137 7.978 -12.212 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 137 4.661 -12.109 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 137 6.246 -12.877 -4.551 1.00 0.00 H new ATOM 2075 N TYR A 138 7.597 -8.310 -2.460 1.00 0.00 N ATOM 2076 CA TYR A 138 7.219 -6.961 -2.175 1.00 0.00 C ATOM 2077 C TYR A 138 5.781 -6.884 -1.790 1.00 0.00 C ATOM 2078 O TYR A 138 5.371 -6.252 -0.818 1.00 0.00 O ATOM 2079 CB TYR A 138 7.572 -6.043 -3.357 1.00 0.00 C ATOM 2080 CG TYR A 138 7.184 -4.640 -3.039 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.475 -4.105 -1.807 1.00 0.00 C ATOM 2082 CD2 TYR A 138 6.134 -4.067 -3.718 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.816 -3.020 -1.279 1.00 0.00 C ATOM 2084 CE2 TYR A 138 5.426 -2.983 -3.256 1.00 0.00 C ATOM 2085 CZ TYR A 138 5.766 -2.515 -2.009 1.00 0.00 C ATOM 2086 OH TYR A 138 4.853 -1.646 -1.373 1.00 0.00 O ATOM 0 H TYR A 138 7.801 -8.506 -3.440 1.00 0.00 H new ATOM 0 HA TYR A 138 7.788 -6.604 -1.317 1.00 0.00 H new ATOM 0 HB2 TYR A 138 8.641 -6.096 -3.564 1.00 0.00 H new ATOM 0 HB3 TYR A 138 7.056 -6.378 -4.257 1.00 0.00 H new ATOM 0 HD1 TYR A 138 8.262 -4.560 -1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 138 5.849 -4.493 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 138 7.109 -2.585 -0.335 1.00 0.00 H new ATOM 0 HE2 TYR A 138 4.644 -2.523 -3.842 1.00 0.00 H new ATOM 0 HH TYR A 138 4.165 -1.369 -2.013 1.00 0.00 H new ATOM 2096 N GLU A 139 4.856 -7.526 -2.525 1.00 0.00 N ATOM 2097 CA GLU A 139 3.478 -7.499 -2.145 1.00 0.00 C ATOM 2098 C GLU A 139 3.066 -8.302 -0.960 1.00 0.00 C ATOM 2099 O GLU A 139 1.996 -8.026 -0.421 1.00 0.00 O ATOM 2100 CB GLU A 139 2.552 -7.828 -3.328 1.00 0.00 C ATOM 2101 CG GLU A 139 2.686 -6.837 -4.486 1.00 0.00 C ATOM 2102 CD GLU A 139 1.752 -7.239 -5.618 1.00 0.00 C ATOM 2103 OE1 GLU A 139 2.129 -8.184 -6.362 1.00 0.00 O ATOM 2104 OE2 GLU A 139 0.693 -6.582 -5.797 1.00 0.00 O ATOM 0 H GLU A 139 5.058 -8.057 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 139 3.364 -6.464 -1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 139 2.775 -8.832 -3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 139 1.518 -7.836 -2.982 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.446 -5.830 -4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 139 3.716 -6.816 -4.842 1.00 0.00 H new ATOM 2111 N GLU A 140 3.984 -9.206 -0.572 1.00 0.00 N ATOM 2112 CA GLU A 140 3.970 -9.851 0.704 1.00 0.00 C ATOM 2113 C GLU A 140 4.440 -8.946 1.790 1.00 0.00 C ATOM 2114 O GLU A 140 3.762 -8.797 2.805 1.00 0.00 O ATOM 2115 CB GLU A 140 4.728 -11.189 0.727 1.00 0.00 C ATOM 2116 CG GLU A 140 4.080 -12.138 -0.283 1.00 0.00 C ATOM 2117 CD GLU A 140 4.849 -13.450 -0.319 1.00 0.00 C ATOM 2118 OE1 GLU A 140 6.071 -13.523 -0.017 1.00 0.00 O ATOM 2119 OE2 GLU A 140 4.261 -14.475 -0.755 1.00 0.00 O ATOM 0 H GLU A 140 4.761 -9.497 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 140 2.924 -10.092 0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.778 -11.033 0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.698 -11.623 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.041 -12.322 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 140 4.073 -11.682 -1.273 1.00 0.00 H new ATOM 2126 N PHE A 141 5.472 -8.099 1.624 1.00 0.00 N ATOM 2127 CA PHE A 141 5.844 -7.074 2.550 1.00 0.00 C ATOM 2128 C PHE A 141 4.853 -6.005 2.856 1.00 0.00 C ATOM 2129 O PHE A 141 4.783 -5.522 3.985 1.00 0.00 O ATOM 2130 CB PHE A 141 7.158 -6.371 2.171 1.00 0.00 C ATOM 2131 CG PHE A 141 7.809 -5.637 3.292 1.00 0.00 C ATOM 2132 CD1 PHE A 141 8.336 -6.317 4.365 1.00 0.00 C ATOM 2133 CD2 PHE A 141 8.066 -4.292 3.160 1.00 0.00 C ATOM 2134 CE1 PHE A 141 9.021 -5.639 5.346 1.00 0.00 C ATOM 2135 CE2 PHE A 141 8.898 -3.636 4.037 1.00 0.00 C ATOM 2136 CZ PHE A 141 9.315 -4.309 5.161 1.00 0.00 C ATOM 0 H PHE A 141 6.077 -8.131 0.803 1.00 0.00 H new ATOM 0 HA PHE A 141 5.937 -7.676 3.454 1.00 0.00 H new ATOM 0 HB2 PHE A 141 7.856 -7.115 1.786 1.00 0.00 H new ATOM 0 HB3 PHE A 141 6.960 -5.670 1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 141 8.211 -7.387 4.437 1.00 0.00 H new ATOM 0 HD2 PHE A 141 7.606 -3.741 2.353 1.00 0.00 H new ATOM 0 HE1 PHE A 141 9.324 -6.145 6.251 1.00 0.00 H new ATOM 0 HE2 PHE A 141 9.215 -2.621 3.848 1.00 0.00 H new ATOM 0 HZ PHE A 141 9.884 -3.783 5.913 1.00 0.00 H new ATOM 2146 N VAL A 142 3.993 -5.695 1.869 1.00 0.00 N ATOM 2147 CA VAL A 142 2.760 -5.000 2.074 1.00 0.00 C ATOM 2148 C VAL A 142 1.944 -5.593 3.171 1.00 0.00 C ATOM 2149 O VAL A 142 1.569 -4.864 4.088 1.00 0.00 O ATOM 2150 CB VAL A 142 1.907 -4.938 0.841 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.651 -4.072 1.029 1.00 0.00 C ATOM 2152 CG2 VAL A 142 2.677 -4.218 -0.279 1.00 0.00 C ATOM 0 H VAL A 142 4.163 -5.937 0.893 1.00 0.00 H new ATOM 0 HA VAL A 142 3.064 -3.990 2.348 1.00 0.00 H new ATOM 0 HB VAL A 142 1.644 -5.972 0.616 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.073 -4.064 0.105 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.043 -4.484 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.946 -3.053 1.281 1.00 0.00 H new ATOM 0 HG21 VAL A 142 2.058 -4.173 -1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.925 -3.206 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.594 -4.764 -0.499 1.00 0.00 H new ATOM 2162 N GLN A 143 1.563 -6.881 3.106 1.00 0.00 N ATOM 2163 CA GLN A 143 0.645 -7.405 4.069 1.00 0.00 C ATOM 2164 C GLN A 143 1.242 -7.535 5.428 1.00 0.00 C ATOM 2165 O GLN A 143 0.638 -7.172 6.436 1.00 0.00 O ATOM 2166 CB GLN A 143 -0.047 -8.731 3.711 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.912 -8.698 2.449 1.00 0.00 C ATOM 2168 CD GLN A 143 -2.119 -7.777 2.562 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -1.949 -6.633 2.144 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -3.202 -8.239 3.243 1.00 0.00 N ATOM 0 H GLN A 143 1.882 -7.548 2.403 1.00 0.00 H new ATOM 0 HA GLN A 143 -0.132 -6.641 4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.717 -9.499 3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -0.671 -9.034 4.551 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -0.299 -8.378 1.606 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -1.256 -9.708 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.238 -9.213 3.544 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -3.978 -7.612 3.453 1.00 0.00 H new ATOM 2179 N MET A 144 2.542 -7.882 5.427 1.00 0.00 N ATOM 2180 CA MET A 144 3.358 -7.919 6.601 1.00 0.00 C ATOM 2181 C MET A 144 3.518 -6.646 7.359 1.00 0.00 C ATOM 2182 O MET A 144 3.417 -6.504 8.577 1.00 0.00 O ATOM 2183 CB MET A 144 4.712 -8.493 6.150 1.00 0.00 C ATOM 2184 CG MET A 144 5.785 -8.585 7.236 1.00 0.00 C ATOM 2185 SD MET A 144 7.431 -8.993 6.580 1.00 0.00 S ATOM 2186 CE MET A 144 7.828 -9.140 8.347 1.00 0.00 C ATOM 0 H MET A 144 3.043 -8.146 4.578 1.00 0.00 H new ATOM 0 HA MET A 144 2.849 -8.538 7.340 1.00 0.00 H new ATOM 0 HB2 MET A 144 4.546 -9.490 5.743 1.00 0.00 H new ATOM 0 HB3 MET A 144 5.095 -7.876 5.337 1.00 0.00 H new ATOM 0 HG2 MET A 144 5.838 -7.635 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 144 5.493 -9.342 7.964 1.00 0.00 H new ATOM 0 HE1 MET A 144 8.485 -9.996 8.502 1.00 0.00 H new ATOM 0 HE2 MET A 144 8.328 -8.232 8.684 1.00 0.00 H new ATOM 0 HE3 MET A 144 6.909 -9.280 8.916 1.00 0.00 H new ATOM 2196 N MET A 145 3.737 -5.480 6.726 1.00 0.00 N ATOM 2197 CA MET A 145 3.875 -4.224 7.394 1.00 0.00 C ATOM 2198 C MET A 145 2.641 -3.433 7.664 1.00 0.00 C ATOM 2199 O MET A 145 2.574 -2.622 8.586 1.00 0.00 O ATOM 2200 CB MET A 145 4.893 -3.399 6.589 1.00 0.00 C ATOM 2201 CG MET A 145 6.314 -3.856 6.923 1.00 0.00 C ATOM 2202 SD MET A 145 6.682 -3.296 8.613 1.00 0.00 S ATOM 2203 CE MET A 145 7.600 -4.800 9.050 1.00 0.00 C ATOM 0 H MET A 145 3.821 -5.410 5.712 1.00 0.00 H new ATOM 0 HA MET A 145 4.203 -4.460 8.406 1.00 0.00 H new ATOM 0 HB2 MET A 145 4.706 -3.515 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 145 4.779 -2.340 6.819 1.00 0.00 H new ATOM 0 HG2 MET A 145 6.395 -4.941 6.852 1.00 0.00 H new ATOM 0 HG3 MET A 145 7.029 -3.436 6.215 1.00 0.00 H new ATOM 0 HE1 MET A 145 7.956 -4.724 10.078 1.00 0.00 H new ATOM 0 HE2 MET A 145 6.945 -5.666 8.956 1.00 0.00 H new ATOM 0 HE3 MET A 145 8.451 -4.914 8.379 1.00 0.00 H new