USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 707 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 26 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 21 THR OG1 : rot 172:sc= -3.79! USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -1.89! USER MOD Single : A 9 THR OG1 : rot -41:sc= 0.193 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.1) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -3:sc= -1.25! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 75:sc= -1.18 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 48 CYS SG : rot -109:sc= -0.941! USER MOD Single : A 52 SER OG : rot -121:sc= 0.12 USER MOD Single : A 59 ASN : amide:sc= 0.0445! C(o=0.045!,f=-18!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 52:sc= -0.0531 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -41:sc= 1.24 USER MOD Single : A 87 ASN : amide:sc= -4.26! C(o=-4.3!,f=-13!) USER MOD Single : A 92 SER OG : rot -130:sc= -0.865 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 99 GLN : amide:sc= -0.111 K(o=-0.11,f=-2.2!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N THR A 9 -0.667 10.911 0.882 1.00 0.00 N ATOM 81 CA THR A 9 -2.056 10.485 0.857 1.00 0.00 C ATOM 82 C THR A 9 -2.312 9.436 1.940 1.00 0.00 C ATOM 83 O THR A 9 -1.371 8.907 2.532 1.00 0.00 O ATOM 84 CB THR A 9 -2.373 9.990 -0.556 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.552 8.836 -0.712 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.877 10.950 -1.638 1.00 0.00 C ATOM 0 HA THR A 9 -2.728 11.312 1.086 1.00 0.00 H new ATOM 0 HB THR A 9 -3.449 9.853 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.666 9.011 -0.330 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.128 10.551 -2.621 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.353 11.922 -1.508 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.796 11.062 -1.557 1.00 0.00 H new ATOM 94 N SER A 10 -3.589 9.165 2.168 1.00 0.00 N ATOM 95 CA SER A 10 -3.980 8.189 3.170 1.00 0.00 C ATOM 96 C SER A 10 -3.388 6.820 2.826 1.00 0.00 C ATOM 97 O SER A 10 -3.306 6.452 1.655 1.00 0.00 O ATOM 98 CB SER A 10 -5.503 8.095 3.283 1.00 0.00 C ATOM 99 OG SER A 10 -5.947 8.229 4.631 1.00 0.00 O ATOM 0 H SER A 10 -4.366 9.605 1.675 1.00 0.00 H new ATOM 0 HA SER A 10 -3.591 8.515 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.961 8.873 2.671 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.838 7.137 2.884 1.00 0.00 H new ATOM 0 HG SER A 10 -6.924 8.165 4.661 1.00 0.00 H new ATOM 105 N ALA A 11 -2.992 6.104 3.868 1.00 0.00 N ATOM 106 CA ALA A 11 -2.411 4.784 3.690 1.00 0.00 C ATOM 107 C ALA A 11 -3.388 3.901 2.911 1.00 0.00 C ATOM 108 O ALA A 11 -4.575 4.211 2.823 1.00 0.00 O ATOM 109 CB ALA A 11 -2.056 4.194 5.057 1.00 0.00 C ATOM 0 H ALA A 11 -3.062 6.413 4.838 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.489 4.846 3.111 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.620 3.204 4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.337 4.843 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.958 4.115 5.664 1.00 0.00 H new ATOM 115 N PRO A 12 -2.838 2.791 2.350 1.00 0.00 N ATOM 116 CA PRO A 12 -3.648 1.861 1.581 1.00 0.00 C ATOM 117 C PRO A 12 -4.523 1.006 2.500 1.00 0.00 C ATOM 118 O PRO A 12 -4.268 0.918 3.700 1.00 0.00 O ATOM 119 CB PRO A 12 -2.651 1.042 0.779 1.00 0.00 C ATOM 120 CG PRO A 12 -1.309 1.223 1.471 1.00 0.00 C ATOM 121 CD PRO A 12 -1.436 2.392 2.433 1.00 0.00 C ATOM 0 HA PRO A 12 -4.353 2.364 0.920 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.939 -0.009 0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.606 1.384 -0.255 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.030 0.316 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.524 1.414 0.739 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.167 2.100 3.448 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.774 3.211 2.151 1.00 0.00 H new ATOM 129 N GLN A 13 -5.536 0.398 1.901 1.00 0.00 N ATOM 130 CA GLN A 13 -6.450 -0.447 2.651 1.00 0.00 C ATOM 131 C GLN A 13 -6.963 -1.587 1.769 1.00 0.00 C ATOM 132 O GLN A 13 -6.775 -1.569 0.553 1.00 0.00 O ATOM 133 CB GLN A 13 -7.611 0.371 3.220 1.00 0.00 C ATOM 134 CG GLN A 13 -7.916 1.580 2.334 1.00 0.00 C ATOM 135 CD GLN A 13 -9.358 2.055 2.530 1.00 0.00 C ATOM 136 OE1 GLN A 13 -10.054 1.646 3.445 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.765 2.937 1.622 1.00 0.00 N ATOM 0 H GLN A 13 -5.744 0.473 0.905 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.907 -0.880 3.492 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.498 -0.258 3.301 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.365 0.707 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.227 2.391 2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.755 1.319 1.288 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.130 3.237 0.882 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.712 3.314 1.666 1.00 0.00 H new ATOM 146 N HIS A 14 -7.601 -2.552 2.416 1.00 0.00 N ATOM 147 CA HIS A 14 -8.142 -3.698 1.705 1.00 0.00 C ATOM 148 C HIS A 14 -6.997 -4.517 1.105 1.00 0.00 C ATOM 149 O HIS A 14 -7.130 -5.069 0.014 1.00 0.00 O ATOM 150 CB HIS A 14 -9.166 -3.255 0.659 1.00 0.00 C ATOM 151 CG HIS A 14 -10.510 -2.879 1.235 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.576 -3.761 1.289 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.950 -1.710 1.783 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.605 -3.139 1.845 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.215 -1.868 2.150 1.00 0.00 N ATOM 0 H HIS A 14 -7.755 -2.564 3.424 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.677 -4.343 2.402 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.765 -2.402 0.112 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.304 -4.060 -0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.367 -0.808 1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.581 -3.564 2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.800 -1.156 2.588 1.00 0.00 H new ATOM 163 N LEU A 15 -5.899 -4.570 1.845 1.00 0.00 N ATOM 164 CA LEU A 15 -4.732 -5.313 1.399 1.00 0.00 C ATOM 165 C LEU A 15 -4.851 -6.767 1.861 1.00 0.00 C ATOM 166 O LEU A 15 -4.773 -7.051 3.055 1.00 0.00 O ATOM 167 CB LEU A 15 -3.448 -4.623 1.865 1.00 0.00 C ATOM 168 CG LEU A 15 -2.138 -5.313 1.479 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.873 -5.184 -0.022 1.00 0.00 C ATOM 170 CD2 LEU A 15 -0.972 -4.782 2.315 1.00 0.00 C ATOM 0 H LEU A 15 -5.793 -4.111 2.750 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.682 -5.327 0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.435 -3.611 1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.481 -4.532 2.951 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.234 -6.376 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.936 -5.683 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.689 -5.647 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.805 -4.130 -0.290 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.053 -5.289 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.864 -3.710 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.167 -4.968 3.371 1.00 0.00 H new ATOM 182 N THR A 16 -5.039 -7.649 0.890 1.00 0.00 N ATOM 183 CA THR A 16 -5.169 -9.066 1.182 1.00 0.00 C ATOM 184 C THR A 16 -4.467 -9.899 0.108 1.00 0.00 C ATOM 185 O THR A 16 -4.035 -9.365 -0.913 1.00 0.00 O ATOM 186 CB THR A 16 -6.659 -9.385 1.321 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.281 -8.579 0.323 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.248 -8.870 2.636 1.00 0.00 C ATOM 0 H THR A 16 -5.104 -7.409 -0.099 1.00 0.00 H new ATOM 0 HA THR A 16 -4.678 -9.323 2.120 1.00 0.00 H new ATOM 0 HB THR A 16 -6.807 -10.463 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.250 -8.725 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.307 -9.123 2.684 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.726 -9.332 3.474 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.130 -7.788 2.688 1.00 0.00 H new ATOM 196 N VAL A 17 -4.375 -11.193 0.374 1.00 0.00 N ATOM 197 CA VAL A 17 -3.733 -12.105 -0.558 1.00 0.00 C ATOM 198 C VAL A 17 -4.796 -12.743 -1.455 1.00 0.00 C ATOM 199 O VAL A 17 -5.661 -13.474 -0.976 1.00 0.00 O ATOM 200 CB VAL A 17 -2.901 -13.136 0.208 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.395 -14.236 -0.727 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.740 -12.465 0.944 1.00 0.00 C ATOM 0 H VAL A 17 -4.734 -11.632 1.222 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.042 -11.565 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.546 -13.601 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.807 -14.955 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.244 -14.743 -1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.773 -13.794 -1.506 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.165 -13.220 1.480 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.095 -11.961 0.224 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.132 -11.736 1.653 1.00 0.00 H new ATOM 212 N GLU A 18 -4.695 -12.443 -2.742 1.00 0.00 N ATOM 213 CA GLU A 18 -5.637 -12.978 -3.710 1.00 0.00 C ATOM 214 C GLU A 18 -5.227 -14.392 -4.124 1.00 0.00 C ATOM 215 O GLU A 18 -6.060 -15.297 -4.166 1.00 0.00 O ATOM 216 CB GLU A 18 -5.749 -12.060 -4.930 1.00 0.00 C ATOM 217 CG GLU A 18 -6.313 -10.693 -4.538 1.00 0.00 C ATOM 218 CD GLU A 18 -7.619 -10.842 -3.756 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.649 -11.101 -4.415 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.559 -10.694 -2.516 1.00 0.00 O ATOM 0 H GLU A 18 -3.976 -11.837 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.620 -13.029 -3.242 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.767 -11.935 -5.387 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.392 -12.522 -5.679 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.583 -10.154 -3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.487 -10.097 -5.434 1.00 0.00 H new ATOM 227 N ASP A 19 -3.944 -14.539 -4.421 1.00 0.00 N ATOM 228 CA ASP A 19 -3.413 -15.829 -4.830 1.00 0.00 C ATOM 229 C ASP A 19 -1.952 -15.937 -4.388 1.00 0.00 C ATOM 230 O ASP A 19 -1.287 -14.925 -4.175 1.00 0.00 O ATOM 231 CB ASP A 19 -3.460 -15.986 -6.351 1.00 0.00 C ATOM 232 CG ASP A 19 -3.471 -17.432 -6.852 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.559 -18.045 -6.792 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.392 -17.891 -7.283 1.00 0.00 O ATOM 0 H ASP A 19 -3.256 -13.786 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.021 -16.607 -4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.350 -15.481 -6.726 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.598 -15.475 -6.781 1.00 0.00 H new ATOM 239 N VAL A 20 -1.496 -17.175 -4.264 1.00 0.00 N ATOM 240 CA VAL A 20 -0.126 -17.429 -3.851 1.00 0.00 C ATOM 241 C VAL A 20 0.462 -18.548 -4.713 1.00 0.00 C ATOM 242 O VAL A 20 -0.253 -19.460 -5.126 1.00 0.00 O ATOM 243 CB VAL A 20 -0.080 -17.741 -2.354 1.00 0.00 C ATOM 244 CG1 VAL A 20 1.353 -18.025 -1.897 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.700 -16.605 -1.538 1.00 0.00 C ATOM 0 H VAL A 20 -2.050 -18.012 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 20 0.490 -16.543 -4.004 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.672 -18.640 -2.181 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.358 -18.244 -0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.747 -18.881 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.977 -17.152 -2.091 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.655 -16.852 -0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.148 -15.683 -1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.740 -16.469 -1.835 1.00 0.00 H new ATOM 255 N THR A 21 1.760 -18.442 -4.960 1.00 0.00 N ATOM 256 CA THR A 21 2.452 -19.433 -5.765 1.00 0.00 C ATOM 257 C THR A 21 3.541 -20.124 -4.941 1.00 0.00 C ATOM 258 O THR A 21 3.508 -20.092 -3.712 1.00 0.00 O ATOM 259 CB THR A 21 2.989 -18.735 -7.016 1.00 0.00 C ATOM 260 OG1 THR A 21 2.695 -17.357 -6.798 1.00 0.00 O ATOM 261 CG2 THR A 21 2.192 -19.091 -8.273 1.00 0.00 C ATOM 0 H THR A 21 2.350 -17.684 -4.616 1.00 0.00 H new ATOM 0 HA THR A 21 1.775 -20.226 -6.083 1.00 0.00 H new ATOM 0 HB THR A 21 4.035 -19.004 -7.161 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.117 -16.818 -7.499 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.615 -18.569 -9.132 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.241 -20.167 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.152 -18.791 -8.142 1.00 0.00 H new ATOM 269 N ASP A 22 4.480 -20.732 -5.652 1.00 0.00 N ATOM 270 CA ASP A 22 5.576 -21.429 -5.001 1.00 0.00 C ATOM 271 C ASP A 22 6.668 -20.423 -4.633 1.00 0.00 C ATOM 272 O ASP A 22 7.238 -20.491 -3.545 1.00 0.00 O ATOM 273 CB ASP A 22 6.192 -22.476 -5.932 1.00 0.00 C ATOM 274 CG ASP A 22 5.183 -23.337 -6.694 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.576 -24.213 -6.040 1.00 0.00 O ATOM 276 OD2 ASP A 22 5.042 -23.102 -7.913 1.00 0.00 O ATOM 0 H ASP A 22 4.504 -20.756 -6.671 1.00 0.00 H new ATOM 0 HA ASP A 22 5.182 -21.923 -4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.831 -21.967 -6.654 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.834 -23.131 -5.343 1.00 0.00 H new ATOM 281 N THR A 23 6.926 -19.512 -5.560 1.00 0.00 N ATOM 282 CA THR A 23 7.939 -18.493 -5.347 1.00 0.00 C ATOM 283 C THR A 23 7.370 -17.104 -5.644 1.00 0.00 C ATOM 284 O THR A 23 8.092 -16.110 -5.593 1.00 0.00 O ATOM 285 CB THR A 23 9.155 -18.848 -6.205 1.00 0.00 C ATOM 286 OG1 THR A 23 8.707 -18.648 -7.542 1.00 0.00 O ATOM 287 CG2 THR A 23 9.498 -20.338 -6.146 1.00 0.00 C ATOM 0 H THR A 23 6.450 -19.459 -6.461 1.00 0.00 H new ATOM 0 HA THR A 23 8.256 -18.463 -4.305 1.00 0.00 H new ATOM 0 HB THR A 23 10.014 -18.264 -5.875 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.435 -18.854 -8.165 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.368 -20.536 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.720 -20.620 -5.117 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.651 -20.921 -6.507 1.00 0.00 H new ATOM 295 N THR A 24 6.081 -17.081 -5.949 1.00 0.00 N ATOM 296 CA THR A 24 5.407 -15.831 -6.254 1.00 0.00 C ATOM 297 C THR A 24 4.129 -15.697 -5.423 1.00 0.00 C ATOM 298 O THR A 24 3.726 -16.638 -4.741 1.00 0.00 O ATOM 299 CB THR A 24 5.157 -15.785 -7.763 1.00 0.00 C ATOM 300 OG1 THR A 24 4.828 -17.129 -8.102 1.00 0.00 O ATOM 301 CG2 THR A 24 6.433 -15.502 -8.559 1.00 0.00 C ATOM 0 H THR A 24 5.486 -17.908 -5.991 1.00 0.00 H new ATOM 0 HA THR A 24 6.024 -14.974 -5.985 1.00 0.00 H new ATOM 0 HB THR A 24 4.413 -15.020 -7.984 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.649 -17.189 -9.064 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.200 -15.480 -9.624 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.844 -14.539 -8.257 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.165 -16.286 -8.364 1.00 0.00 H new ATOM 309 N THR A 25 3.528 -14.519 -5.507 1.00 0.00 N ATOM 310 CA THR A 25 2.304 -14.250 -4.771 1.00 0.00 C ATOM 311 C THR A 25 1.583 -13.037 -5.361 1.00 0.00 C ATOM 312 O THR A 25 2.194 -12.221 -6.049 1.00 0.00 O ATOM 313 CB THR A 25 2.668 -14.081 -3.294 1.00 0.00 C ATOM 314 OG1 THR A 25 2.890 -15.412 -2.837 1.00 0.00 O ATOM 315 CG2 THR A 25 1.489 -13.589 -2.453 1.00 0.00 C ATOM 0 H THR A 25 3.866 -13.741 -6.073 1.00 0.00 H new ATOM 0 HA THR A 25 1.602 -15.079 -4.855 1.00 0.00 H new ATOM 0 HB THR A 25 3.496 -13.379 -3.202 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.698 -16.043 -3.562 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.801 -13.486 -1.414 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.153 -12.622 -2.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.672 -14.307 -2.517 1.00 0.00 H new ATOM 323 N THR A 26 0.293 -12.956 -5.071 1.00 0.00 N ATOM 324 CA THR A 26 -0.519 -11.857 -5.565 1.00 0.00 C ATOM 325 C THR A 26 -1.085 -11.046 -4.397 1.00 0.00 C ATOM 326 O THR A 26 -1.393 -11.601 -3.343 1.00 0.00 O ATOM 327 CB THR A 26 -1.597 -12.439 -6.481 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.862 -13.119 -7.494 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.366 -11.356 -7.242 1.00 0.00 C ATOM 0 H THR A 26 -0.211 -13.634 -4.499 1.00 0.00 H new ATOM 0 HA THR A 26 0.077 -11.155 -6.148 1.00 0.00 H new ATOM 0 HB THR A 26 -2.295 -13.032 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.484 -13.528 -8.131 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.119 -11.823 -7.877 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.854 -10.689 -6.531 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.674 -10.784 -7.860 1.00 0.00 H new ATOM 337 N LEU A 27 -1.207 -9.747 -4.625 1.00 0.00 N ATOM 338 CA LEU A 27 -1.731 -8.854 -3.605 1.00 0.00 C ATOM 339 C LEU A 27 -2.749 -7.904 -4.240 1.00 0.00 C ATOM 340 O LEU A 27 -2.660 -7.597 -5.427 1.00 0.00 O ATOM 341 CB LEU A 27 -0.589 -8.138 -2.881 1.00 0.00 C ATOM 342 CG LEU A 27 0.395 -9.035 -2.129 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.753 -8.349 -1.972 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.183 -9.476 -0.783 1.00 0.00 C ATOM 0 H LEU A 27 -0.952 -9.291 -5.501 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.258 -9.420 -2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.031 -7.554 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.021 -7.432 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 27 0.556 -9.936 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.434 -9.009 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.165 -8.128 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.630 -7.421 -1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.537 -10.113 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.392 -8.598 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.106 -10.032 -0.948 1.00 0.00 H new ATOM 356 N LYS A 28 -3.692 -7.465 -3.419 1.00 0.00 N ATOM 357 CA LYS A 28 -4.726 -6.556 -3.885 1.00 0.00 C ATOM 358 C LYS A 28 -5.076 -5.572 -2.767 1.00 0.00 C ATOM 359 O LYS A 28 -5.450 -5.982 -1.669 1.00 0.00 O ATOM 360 CB LYS A 28 -5.929 -7.339 -4.415 1.00 0.00 C ATOM 361 CG LYS A 28 -6.591 -6.603 -5.581 1.00 0.00 C ATOM 362 CD LYS A 28 -7.890 -7.296 -6.000 1.00 0.00 C ATOM 363 CE LYS A 28 -9.108 -6.445 -5.635 1.00 0.00 C ATOM 364 NZ LYS A 28 -10.356 -7.218 -5.823 1.00 0.00 N ATOM 0 H LYS A 28 -3.762 -7.722 -2.434 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.363 -5.966 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.609 -8.329 -4.740 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.654 -7.485 -3.614 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.801 -5.573 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.906 -6.565 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.879 -7.479 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.962 -8.268 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.031 -6.114 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.132 -5.549 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.173 -6.626 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.436 -7.512 -6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.338 -8.060 -5.213 1.00 0.00 H new ATOM 378 N TRP A 29 -4.942 -4.293 -3.084 1.00 0.00 N ATOM 379 CA TRP A 29 -5.239 -3.248 -2.120 1.00 0.00 C ATOM 380 C TRP A 29 -6.168 -2.235 -2.792 1.00 0.00 C ATOM 381 O TRP A 29 -6.543 -2.405 -3.951 1.00 0.00 O ATOM 382 CB TRP A 29 -3.954 -2.615 -1.583 1.00 0.00 C ATOM 383 CG TRP A 29 -3.157 -1.837 -2.632 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.483 -0.680 -3.225 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.880 -2.209 -3.193 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.514 -0.281 -4.122 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.508 -1.240 -4.102 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.067 -3.327 -2.939 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.314 -1.292 -4.831 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.123 -3.364 -3.676 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.512 -2.397 -4.596 1.00 0.00 C ATOM 0 H TRP A 29 -4.632 -3.957 -3.995 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.746 -3.661 -1.248 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.207 -1.943 -0.763 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.321 -3.399 -1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.390 -0.129 -3.026 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.532 0.563 -4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.339 -4.096 -2.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.045 -0.520 -5.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.785 -4.203 -3.519 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.447 -2.498 -5.127 1.00 0.00 H new ATOM 402 N ARG A 30 -6.512 -1.203 -2.036 1.00 0.00 N ATOM 403 CA ARG A 30 -7.390 -0.162 -2.545 1.00 0.00 C ATOM 404 C ARG A 30 -6.768 1.217 -2.314 1.00 0.00 C ATOM 405 O ARG A 30 -5.978 1.398 -1.389 1.00 0.00 O ATOM 406 CB ARG A 30 -8.760 -0.217 -1.865 1.00 0.00 C ATOM 407 CG ARG A 30 -9.544 -1.453 -2.309 1.00 0.00 C ATOM 408 CD ARG A 30 -10.684 -1.068 -3.254 1.00 0.00 C ATOM 409 NE ARG A 30 -10.150 -0.791 -4.606 1.00 0.00 N ATOM 410 CZ ARG A 30 -10.884 -0.830 -5.727 1.00 0.00 C ATOM 411 NH1 ARG A 30 -12.187 -1.134 -5.664 1.00 0.00 N ATOM 412 NH2 ARG A 30 -10.314 -0.564 -6.910 1.00 0.00 N ATOM 0 H ARG A 30 -6.199 -1.065 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.520 -0.331 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.632 -0.233 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.326 0.683 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.874 -2.153 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.948 -1.965 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.416 -1.874 -3.301 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.203 -0.189 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.161 -0.556 -4.690 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.621 -1.336 -4.763 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.746 -1.164 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.322 -0.332 -6.957 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.872 -0.594 -7.763 1.00 0.00 H new ATOM 426 N PRO A 31 -7.158 2.178 -3.193 1.00 0.00 N ATOM 427 CA PRO A 31 -6.648 3.534 -3.095 1.00 0.00 C ATOM 428 C PRO A 31 -7.303 4.283 -1.932 1.00 0.00 C ATOM 429 O PRO A 31 -8.375 3.900 -1.467 1.00 0.00 O ATOM 430 CB PRO A 31 -6.940 4.164 -4.447 1.00 0.00 C ATOM 431 CG PRO A 31 -8.011 3.297 -5.088 1.00 0.00 C ATOM 432 CD PRO A 31 -8.092 1.999 -4.301 1.00 0.00 C ATOM 0 HA PRO A 31 -5.580 3.567 -2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.286 5.191 -4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.043 4.197 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.973 3.810 -5.079 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.766 3.096 -6.131 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.104 1.817 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.815 1.144 -4.918 1.00 0.00 H new ATOM 440 N PRO A 32 -6.613 5.367 -1.485 1.00 0.00 N ATOM 441 CA PRO A 32 -7.117 6.173 -0.386 1.00 0.00 C ATOM 442 C PRO A 32 -8.278 7.058 -0.843 1.00 0.00 C ATOM 443 O PRO A 32 -8.627 7.072 -2.022 1.00 0.00 O ATOM 444 CB PRO A 32 -5.917 6.971 0.098 1.00 0.00 C ATOM 445 CG PRO A 32 -4.905 6.932 -1.036 1.00 0.00 C ATOM 446 CD PRO A 32 -5.341 5.851 -2.012 1.00 0.00 C ATOM 0 HA PRO A 32 -7.531 5.571 0.423 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.200 7.997 0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.501 6.538 1.008 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.854 7.899 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.908 6.719 -0.651 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.456 6.250 -3.020 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.605 5.049 -2.069 1.00 0.00 H new ATOM 454 N ASP A 33 -8.846 7.775 0.116 1.00 0.00 N ATOM 455 CA ASP A 33 -9.961 8.661 -0.173 1.00 0.00 C ATOM 456 C ASP A 33 -9.475 10.111 -0.148 1.00 0.00 C ATOM 457 O ASP A 33 -10.049 10.973 -0.811 1.00 0.00 O ATOM 458 CB ASP A 33 -11.066 8.515 0.876 1.00 0.00 C ATOM 459 CG ASP A 33 -12.490 8.505 0.317 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.626 8.776 -0.896 1.00 0.00 O ATOM 461 OD2 ASP A 33 -13.411 8.226 1.115 1.00 0.00 O ATOM 0 H ASP A 33 -8.555 7.760 1.093 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.356 8.396 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.902 7.590 1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.978 9.333 1.591 1.00 0.00 H new ATOM 466 N ARG A 34 -8.421 10.335 0.623 1.00 0.00 N ATOM 467 CA ARG A 34 -7.851 11.667 0.742 1.00 0.00 C ATOM 468 C ARG A 34 -6.529 11.749 -0.024 1.00 0.00 C ATOM 469 O ARG A 34 -5.460 11.815 0.580 1.00 0.00 O ATOM 470 CB ARG A 34 -7.606 12.031 2.208 1.00 0.00 C ATOM 471 CG ARG A 34 -8.865 12.625 2.843 1.00 0.00 C ATOM 472 CD ARG A 34 -9.772 11.524 3.395 1.00 0.00 C ATOM 473 NE ARG A 34 -10.244 11.888 4.749 1.00 0.00 N ATOM 474 CZ ARG A 34 -11.047 11.119 5.497 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.473 9.938 5.027 1.00 0.00 N ATOM 476 NH2 ARG A 34 -11.424 11.530 6.716 1.00 0.00 N ATOM 0 H ARG A 34 -7.947 9.617 1.171 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.565 12.373 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.300 11.143 2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.787 12.747 2.277 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.585 13.307 3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.408 13.211 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.624 11.377 2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.230 10.579 3.432 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.939 12.780 5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.186 9.625 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.084 9.353 5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.100 12.428 7.074 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.035 10.945 7.285 1.00 0.00 H new ATOM 559 N ASP A 41 1.943 8.683 -6.543 1.00 0.00 N ATOM 560 CA ASP A 41 2.943 8.164 -7.461 1.00 0.00 C ATOM 561 C ASP A 41 2.730 6.660 -7.642 1.00 0.00 C ATOM 562 O ASP A 41 2.796 6.150 -8.760 1.00 0.00 O ATOM 563 CB ASP A 41 4.356 8.379 -6.915 1.00 0.00 C ATOM 564 CG ASP A 41 5.474 7.754 -7.751 1.00 0.00 C ATOM 565 OD1 ASP A 41 5.261 7.622 -8.976 1.00 0.00 O ATOM 566 OD2 ASP A 41 6.517 7.422 -7.147 1.00 0.00 O ATOM 0 HA ASP A 41 2.838 8.693 -8.408 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.539 9.450 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.405 7.970 -5.906 1.00 0.00 H new ATOM 571 N GLY A 42 2.478 5.991 -6.526 1.00 0.00 N ATOM 572 CA GLY A 42 2.255 4.556 -6.548 1.00 0.00 C ATOM 573 C GLY A 42 2.329 3.968 -5.137 1.00 0.00 C ATOM 574 O GLY A 42 1.872 4.587 -4.178 1.00 0.00 O ATOM 0 H GLY A 42 2.423 6.417 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.279 4.343 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.000 4.078 -7.184 1.00 0.00 H new ATOM 578 N TYR A 43 2.909 2.779 -5.056 1.00 0.00 N ATOM 579 CA TYR A 43 3.048 2.101 -3.778 1.00 0.00 C ATOM 580 C TYR A 43 4.320 1.251 -3.745 1.00 0.00 C ATOM 581 O TYR A 43 4.723 0.691 -4.764 1.00 0.00 O ATOM 582 CB TYR A 43 1.832 1.182 -3.654 1.00 0.00 C ATOM 583 CG TYR A 43 0.499 1.925 -3.539 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.140 2.516 -2.344 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.343 2.005 -4.629 1.00 0.00 C ATOM 586 CE1 TYR A 43 -1.114 3.216 -2.236 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.596 2.705 -4.521 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.920 3.276 -3.330 1.00 0.00 C ATOM 589 OH TYR A 43 -3.104 3.937 -3.227 1.00 0.00 O ATOM 0 H TYR A 43 3.288 2.268 -5.854 1.00 0.00 H new ATOM 0 HA TYR A 43 3.110 2.824 -2.964 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.796 0.525 -4.523 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.958 0.546 -2.778 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.799 2.453 -1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.062 1.542 -5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.408 3.683 -1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.264 2.775 -5.367 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.940 4.903 -3.226 1.00 0.00 H new ATOM 599 N LEU A 44 4.916 1.181 -2.564 1.00 0.00 N ATOM 600 CA LEU A 44 6.134 0.409 -2.385 1.00 0.00 C ATOM 601 C LEU A 44 5.817 -0.858 -1.588 1.00 0.00 C ATOM 602 O LEU A 44 5.431 -0.782 -0.422 1.00 0.00 O ATOM 603 CB LEU A 44 7.229 1.273 -1.756 1.00 0.00 C ATOM 604 CG LEU A 44 8.109 2.056 -2.732 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.006 3.047 -1.988 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.916 1.110 -3.623 1.00 0.00 C ATOM 0 H LEU A 44 4.578 1.646 -1.721 1.00 0.00 H new ATOM 0 HA LEU A 44 6.527 0.089 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.758 1.981 -1.074 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.871 0.630 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 44 7.459 2.638 -3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.621 3.590 -2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.387 3.752 -1.433 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.650 2.506 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.533 1.692 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.556 0.483 -3.002 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.235 0.480 -4.195 1.00 0.00 H new ATOM 618 N VAL A 45 5.991 -1.994 -2.248 1.00 0.00 N ATOM 619 CA VAL A 45 5.728 -3.275 -1.616 1.00 0.00 C ATOM 620 C VAL A 45 7.039 -3.853 -1.079 1.00 0.00 C ATOM 621 O VAL A 45 8.053 -3.850 -1.775 1.00 0.00 O ATOM 622 CB VAL A 45 5.021 -4.209 -2.601 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.269 -5.317 -1.862 1.00 0.00 C ATOM 624 CG2 VAL A 45 4.082 -3.427 -3.521 1.00 0.00 C ATOM 0 H VAL A 45 6.311 -2.053 -3.215 1.00 0.00 H new ATOM 0 HA VAL A 45 5.056 -3.151 -0.767 1.00 0.00 H new ATOM 0 HB VAL A 45 5.783 -4.679 -3.223 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.776 -5.967 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 45 4.973 -5.902 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.522 -4.873 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.593 -4.115 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.328 -2.916 -2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.655 -2.692 -4.087 1.00 0.00 H new ATOM 634 N GLU A 46 6.975 -4.334 0.154 1.00 0.00 N ATOM 635 CA GLU A 46 8.145 -4.914 0.792 1.00 0.00 C ATOM 636 C GLU A 46 7.737 -6.092 1.679 1.00 0.00 C ATOM 637 O GLU A 46 6.673 -6.069 2.296 1.00 0.00 O ATOM 638 CB GLU A 46 8.909 -3.860 1.596 1.00 0.00 C ATOM 639 CG GLU A 46 8.981 -2.535 0.835 1.00 0.00 C ATOM 640 CD GLU A 46 10.082 -1.636 1.403 1.00 0.00 C ATOM 641 OE1 GLU A 46 11.255 -2.059 1.328 1.00 0.00 O ATOM 642 OE2 GLU A 46 9.724 -0.546 1.900 1.00 0.00 O ATOM 0 H GLU A 46 6.132 -4.334 0.728 1.00 0.00 H new ATOM 0 HA GLU A 46 8.813 -5.285 0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.419 -3.705 2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.917 -4.218 1.806 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.172 -2.728 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.021 -2.023 0.897 1.00 0.00 H new ATOM 649 N TYR A 47 8.604 -7.093 1.714 1.00 0.00 N ATOM 650 CA TYR A 47 8.347 -8.278 2.515 1.00 0.00 C ATOM 651 C TYR A 47 9.489 -8.531 3.500 1.00 0.00 C ATOM 652 O TYR A 47 10.651 -8.280 3.187 1.00 0.00 O ATOM 653 CB TYR A 47 8.271 -9.445 1.529 1.00 0.00 C ATOM 654 CG TYR A 47 9.554 -9.665 0.725 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.830 -8.865 -0.365 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.434 -10.663 1.089 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.038 -9.072 -1.122 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.641 -10.870 0.333 1.00 0.00 C ATOM 659 CZ TYR A 47 11.884 -10.064 -0.736 1.00 0.00 C ATOM 660 OH TYR A 47 13.024 -10.259 -1.451 1.00 0.00 O ATOM 0 H TYR A 47 9.485 -7.108 1.201 1.00 0.00 H new ATOM 0 HA TYR A 47 7.431 -8.160 3.093 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.038 -10.357 2.079 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.447 -9.270 0.838 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.141 -8.084 -0.650 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.217 -11.289 1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.267 -8.453 -1.977 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.338 -11.648 0.608 1.00 0.00 H new ATOM 0 HH TYR A 47 13.532 -11.000 -1.060 1.00 0.00 H new ATOM 670 N CYS A 48 9.118 -9.027 4.672 1.00 0.00 N ATOM 671 CA CYS A 48 10.097 -9.317 5.705 1.00 0.00 C ATOM 672 C CYS A 48 9.963 -10.791 6.093 1.00 0.00 C ATOM 673 O CYS A 48 8.888 -11.237 6.490 1.00 0.00 O ATOM 674 CB CYS A 48 9.936 -8.393 6.914 1.00 0.00 C ATOM 675 SG CYS A 48 11.318 -8.647 8.085 1.00 0.00 S ATOM 0 H CYS A 48 8.153 -9.235 4.928 1.00 0.00 H new ATOM 0 HA CYS A 48 11.100 -9.132 5.320 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.912 -7.354 6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 48 8.986 -8.593 7.411 1.00 0.00 H new ATOM 0 HG CYS A 48 10.877 -9.240 9.155 1.00 0.00 H new ATOM 681 N LEU A 49 11.070 -11.507 5.964 1.00 0.00 N ATOM 682 CA LEU A 49 11.090 -12.922 6.296 1.00 0.00 C ATOM 683 C LEU A 49 10.982 -13.087 7.813 1.00 0.00 C ATOM 684 O LEU A 49 11.605 -12.341 8.568 1.00 0.00 O ATOM 685 CB LEU A 49 12.322 -13.597 5.691 1.00 0.00 C ATOM 686 CG LEU A 49 12.361 -13.675 4.163 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.729 -13.249 3.627 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.964 -15.070 3.675 1.00 0.00 C ATOM 0 H LEU A 49 11.960 -11.134 5.634 1.00 0.00 H new ATOM 0 HA LEU A 49 10.230 -13.428 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.209 -13.062 6.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.389 -14.610 6.089 1.00 0.00 H new ATOM 0 HG LEU A 49 11.627 -12.974 3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.730 -13.314 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.935 -12.222 3.930 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.499 -13.907 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.000 -15.098 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.656 -15.808 4.080 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.953 -15.299 4.011 1.00 0.00 H new ATOM 700 N GLU A 50 10.187 -14.068 8.215 1.00 0.00 N ATOM 701 CA GLU A 50 9.989 -14.340 9.628 1.00 0.00 C ATOM 702 C GLU A 50 11.335 -14.380 10.354 1.00 0.00 C ATOM 703 O GLU A 50 12.278 -15.015 9.885 1.00 0.00 O ATOM 704 CB GLU A 50 9.216 -15.644 9.832 1.00 0.00 C ATOM 705 CG GLU A 50 10.170 -16.837 9.933 1.00 0.00 C ATOM 706 CD GLU A 50 9.451 -18.144 9.591 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.845 -18.717 10.522 1.00 0.00 O ATOM 708 OE2 GLU A 50 9.525 -18.540 8.408 1.00 0.00 O ATOM 0 H GLU A 50 9.672 -14.684 7.586 1.00 0.00 H new ATOM 0 HA GLU A 50 9.393 -13.533 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.615 -15.577 10.739 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.525 -15.795 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.012 -16.693 9.256 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.579 -16.896 10.942 1.00 0.00 H new ATOM 715 N GLY A 51 11.381 -13.695 11.487 1.00 0.00 N ATOM 716 CA GLY A 51 12.596 -13.645 12.283 1.00 0.00 C ATOM 717 C GLY A 51 13.456 -12.441 11.894 1.00 0.00 C ATOM 718 O GLY A 51 14.156 -11.876 12.734 1.00 0.00 O ATOM 0 H GLY A 51 10.596 -13.170 11.873 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.340 -13.587 13.341 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.165 -14.564 12.143 1.00 0.00 H new ATOM 722 N SER A 52 13.377 -12.084 10.620 1.00 0.00 N ATOM 723 CA SER A 52 14.140 -10.958 10.110 1.00 0.00 C ATOM 724 C SER A 52 13.426 -9.647 10.445 1.00 0.00 C ATOM 725 O SER A 52 12.201 -9.614 10.554 1.00 0.00 O ATOM 726 CB SER A 52 14.352 -11.076 8.599 1.00 0.00 C ATOM 727 OG SER A 52 15.067 -9.962 8.072 1.00 0.00 O ATOM 0 H SER A 52 12.796 -12.555 9.926 1.00 0.00 H new ATOM 0 HA SER A 52 15.119 -10.963 10.589 1.00 0.00 H new ATOM 0 HB2 SER A 52 14.898 -11.994 8.380 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.385 -11.154 8.102 1.00 0.00 H new ATOM 0 HG SER A 52 14.523 -9.518 7.389 1.00 0.00 H new ATOM 733 N GLU A 53 14.222 -8.599 10.599 1.00 0.00 N ATOM 734 CA GLU A 53 13.681 -7.289 10.919 1.00 0.00 C ATOM 735 C GLU A 53 13.934 -6.314 9.768 1.00 0.00 C ATOM 736 O GLU A 53 13.748 -5.108 9.918 1.00 0.00 O ATOM 737 CB GLU A 53 14.270 -6.758 12.227 1.00 0.00 C ATOM 738 CG GLU A 53 13.164 -6.303 13.182 1.00 0.00 C ATOM 739 CD GLU A 53 13.586 -6.491 14.640 1.00 0.00 C ATOM 740 OE1 GLU A 53 14.307 -5.602 15.142 1.00 0.00 O ATOM 741 OE2 GLU A 53 13.178 -7.521 15.220 1.00 0.00 O ATOM 0 H GLU A 53 15.237 -8.631 10.508 1.00 0.00 H new ATOM 0 HA GLU A 53 12.604 -7.386 11.056 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.869 -7.535 12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.939 -5.924 12.016 1.00 0.00 H new ATOM 0 HG2 GLU A 53 12.930 -5.254 13.000 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.254 -6.871 12.987 1.00 0.00 H new ATOM 748 N GLU A 54 14.356 -6.873 8.643 1.00 0.00 N ATOM 749 CA GLU A 54 14.637 -6.068 7.466 1.00 0.00 C ATOM 750 C GLU A 54 13.581 -6.317 6.388 1.00 0.00 C ATOM 751 O GLU A 54 13.453 -7.432 5.885 1.00 0.00 O ATOM 752 CB GLU A 54 16.043 -6.350 6.932 1.00 0.00 C ATOM 753 CG GLU A 54 16.298 -5.587 5.631 1.00 0.00 C ATOM 754 CD GLU A 54 17.613 -4.807 5.701 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.669 -3.863 6.518 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.531 -5.173 4.937 1.00 0.00 O ATOM 0 H GLU A 54 14.510 -7.874 8.522 1.00 0.00 H new ATOM 0 HA GLU A 54 14.596 -5.017 7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.784 -6.062 7.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.163 -7.420 6.760 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.330 -6.286 4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.473 -4.900 5.440 1.00 0.00 H new ATOM 763 N TRP A 55 12.851 -5.260 6.065 1.00 0.00 N ATOM 764 CA TRP A 55 11.809 -5.349 5.056 1.00 0.00 C ATOM 765 C TRP A 55 12.461 -5.151 3.685 1.00 0.00 C ATOM 766 O TRP A 55 12.953 -4.065 3.380 1.00 0.00 O ATOM 767 CB TRP A 55 10.687 -4.348 5.335 1.00 0.00 C ATOM 768 CG TRP A 55 9.860 -4.672 6.581 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.147 -4.387 7.859 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.591 -5.358 6.616 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.160 -4.837 8.711 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.184 -5.446 7.932 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.813 -5.886 5.571 1.00 0.00 C ATOM 774 CZ2 TRP A 55 6.987 -6.057 8.325 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.619 -6.493 5.980 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.195 -6.590 7.300 1.00 0.00 C ATOM 0 H TRP A 55 12.960 -4.337 6.484 1.00 0.00 H new ATOM 0 HA TRP A 55 11.334 -6.330 5.078 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.120 -3.354 5.447 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.024 -4.311 4.471 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.039 -3.870 8.181 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.149 -4.740 9.726 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.112 -5.828 4.535 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.691 -6.114 9.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.983 -6.915 5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.259 -7.074 7.534 1.00 0.00 H new ATOM 787 N VAL A 56 12.443 -6.215 2.897 1.00 0.00 N ATOM 788 CA VAL A 56 13.025 -6.171 1.567 1.00 0.00 C ATOM 789 C VAL A 56 12.000 -5.601 0.584 1.00 0.00 C ATOM 790 O VAL A 56 10.809 -5.890 0.686 1.00 0.00 O ATOM 791 CB VAL A 56 13.526 -7.561 1.168 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.093 -7.553 -0.253 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.562 -8.078 2.169 1.00 0.00 C ATOM 0 H VAL A 56 12.034 -7.113 3.154 1.00 0.00 H new ATOM 0 HA VAL A 56 13.892 -5.511 1.552 1.00 0.00 H new ATOM 0 HB VAL A 56 12.675 -8.242 1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.442 -8.553 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.315 -7.248 -0.953 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.926 -6.852 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.902 -9.067 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.411 -7.396 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.111 -8.140 3.160 1.00 0.00 H new ATOM 803 N PRO A 57 12.514 -4.779 -0.370 1.00 0.00 N ATOM 804 CA PRO A 57 11.657 -4.165 -1.370 1.00 0.00 C ATOM 805 C PRO A 57 11.232 -5.185 -2.428 1.00 0.00 C ATOM 806 O PRO A 57 12.073 -5.743 -3.131 1.00 0.00 O ATOM 807 CB PRO A 57 12.477 -3.021 -1.943 1.00 0.00 C ATOM 808 CG PRO A 57 13.922 -3.322 -1.579 1.00 0.00 C ATOM 809 CD PRO A 57 13.919 -4.413 -0.521 1.00 0.00 C ATOM 0 HA PRO A 57 10.721 -3.795 -0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.352 -2.954 -3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.160 -2.065 -1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.478 -3.645 -2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.415 -2.426 -1.202 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.520 -5.268 -0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.338 -4.054 0.419 1.00 0.00 H new ATOM 817 N ALA A 58 9.927 -5.398 -2.509 1.00 0.00 N ATOM 818 CA ALA A 58 9.380 -6.341 -3.469 1.00 0.00 C ATOM 819 C ALA A 58 9.487 -5.749 -4.876 1.00 0.00 C ATOM 820 O ALA A 58 9.876 -6.440 -5.816 1.00 0.00 O ATOM 821 CB ALA A 58 7.938 -6.680 -3.088 1.00 0.00 C ATOM 0 H ALA A 58 9.232 -4.933 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 58 9.947 -7.272 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.528 -7.388 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.919 -7.124 -2.093 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.337 -5.770 -3.091 1.00 0.00 H new ATOM 827 N ASN A 59 9.135 -4.476 -4.976 1.00 0.00 N ATOM 828 CA ASN A 59 9.187 -3.783 -6.253 1.00 0.00 C ATOM 829 C ASN A 59 10.142 -2.593 -6.144 1.00 0.00 C ATOM 830 O ASN A 59 9.873 -1.642 -5.410 1.00 0.00 O ATOM 831 CB ASN A 59 7.808 -3.249 -6.646 1.00 0.00 C ATOM 832 CG ASN A 59 7.128 -2.563 -5.460 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.230 -2.989 -4.321 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.429 -1.480 -5.789 1.00 0.00 N ATOM 0 H ASN A 59 8.813 -3.906 -4.194 1.00 0.00 H new ATOM 0 HA ASN A 59 9.528 -4.492 -7.008 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.909 -2.543 -7.470 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.185 -4.069 -7.003 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.937 -0.952 -5.068 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.385 -1.178 -6.762 1.00 0.00 H new ATOM 841 N LYS A 60 11.237 -2.683 -6.884 1.00 0.00 N ATOM 842 CA LYS A 60 12.233 -1.625 -6.879 1.00 0.00 C ATOM 843 C LYS A 60 11.538 -0.275 -7.065 1.00 0.00 C ATOM 844 O LYS A 60 11.919 0.714 -6.441 1.00 0.00 O ATOM 845 CB LYS A 60 13.318 -1.907 -7.921 1.00 0.00 C ATOM 846 CG LYS A 60 14.643 -1.252 -7.524 1.00 0.00 C ATOM 847 CD LYS A 60 15.267 -0.514 -8.709 1.00 0.00 C ATOM 848 CE LYS A 60 15.917 -1.496 -9.686 1.00 0.00 C ATOM 849 NZ LYS A 60 17.227 -0.982 -10.143 1.00 0.00 N ATOM 0 H LYS A 60 11.457 -3.473 -7.491 1.00 0.00 H new ATOM 0 HA LYS A 60 12.747 -1.589 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.457 -2.983 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.000 -1.532 -8.894 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.476 -0.554 -6.704 1.00 0.00 H new ATOM 0 HG3 LYS A 60 15.334 -2.012 -7.160 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.501 0.065 -9.225 1.00 0.00 H new ATOM 0 HD3 LYS A 60 16.013 0.194 -8.349 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.048 -2.465 -9.204 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.262 -1.653 -10.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.654 -1.661 -10.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.094 -0.068 -10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 17.855 -0.855 -9.324 1.00 0.00 H new ATOM 863 N GLU A 61 10.530 -0.278 -7.925 1.00 0.00 N ATOM 864 CA GLU A 61 9.778 0.934 -8.200 1.00 0.00 C ATOM 865 C GLU A 61 8.328 0.776 -7.738 1.00 0.00 C ATOM 866 O GLU A 61 7.826 -0.341 -7.628 1.00 0.00 O ATOM 867 CB GLU A 61 9.843 1.295 -9.686 1.00 0.00 C ATOM 868 CG GLU A 61 9.097 0.263 -10.534 1.00 0.00 C ATOM 869 CD GLU A 61 10.033 -0.386 -11.556 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.749 0.380 -12.236 1.00 0.00 O ATOM 871 OE2 GLU A 61 10.010 -1.633 -11.635 1.00 0.00 O ATOM 0 H GLU A 61 10.217 -1.101 -8.440 1.00 0.00 H new ATOM 0 HA GLU A 61 10.230 1.753 -7.640 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.409 2.282 -9.843 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.884 1.350 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.670 -0.504 -9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.266 0.743 -11.050 1.00 0.00 H new ATOM 878 N PRO A 62 7.679 1.942 -7.472 1.00 0.00 N ATOM 879 CA PRO A 62 6.297 1.943 -7.024 1.00 0.00 C ATOM 880 C PRO A 62 5.345 1.637 -8.182 1.00 0.00 C ATOM 881 O PRO A 62 5.397 2.291 -9.222 1.00 0.00 O ATOM 882 CB PRO A 62 6.079 3.323 -6.425 1.00 0.00 C ATOM 883 CG PRO A 62 7.195 4.197 -6.975 1.00 0.00 C ATOM 884 CD PRO A 62 8.242 3.283 -7.590 1.00 0.00 C ATOM 0 HA PRO A 62 6.093 1.166 -6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.101 3.718 -6.701 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.112 3.286 -5.336 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.805 4.888 -7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.634 4.800 -6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.431 3.543 -8.632 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.193 3.361 -7.064 1.00 0.00 H new ATOM 892 N VAL A 63 4.498 0.642 -7.962 1.00 0.00 N ATOM 893 CA VAL A 63 3.535 0.242 -8.974 1.00 0.00 C ATOM 894 C VAL A 63 2.435 1.300 -9.073 1.00 0.00 C ATOM 895 O VAL A 63 2.335 2.178 -8.217 1.00 0.00 O ATOM 896 CB VAL A 63 2.995 -1.155 -8.658 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.136 -2.159 -8.491 1.00 0.00 C ATOM 898 CG2 VAL A 63 2.101 -1.129 -7.417 1.00 0.00 C ATOM 0 H VAL A 63 4.459 0.101 -7.098 1.00 0.00 H new ATOM 0 HA VAL A 63 4.012 0.179 -9.952 1.00 0.00 H new ATOM 0 HB VAL A 63 2.386 -1.478 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.725 -3.143 -8.267 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.715 -2.209 -9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.783 -1.842 -7.673 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.730 -2.134 -7.214 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.676 -0.775 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.258 -0.460 -7.590 1.00 0.00 H new ATOM 908 N GLU A 64 1.637 1.182 -10.124 1.00 0.00 N ATOM 909 CA GLU A 64 0.548 2.118 -10.346 1.00 0.00 C ATOM 910 C GLU A 64 -0.794 1.453 -10.037 1.00 0.00 C ATOM 911 O GLU A 64 -1.716 2.105 -9.548 1.00 0.00 O ATOM 912 CB GLU A 64 0.575 2.661 -11.776 1.00 0.00 C ATOM 913 CG GLU A 64 0.105 1.600 -12.774 1.00 0.00 C ATOM 914 CD GLU A 64 0.722 1.834 -14.154 1.00 0.00 C ATOM 915 OE1 GLU A 64 1.904 2.242 -14.186 1.00 0.00 O ATOM 916 OE2 GLU A 64 -0.001 1.600 -15.147 1.00 0.00 O ATOM 0 H GLU A 64 1.723 0.452 -10.831 1.00 0.00 H new ATOM 0 HA GLU A 64 0.677 2.963 -9.669 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.064 3.541 -11.847 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.586 2.981 -12.029 1.00 0.00 H new ATOM 0 HG2 GLU A 64 0.379 0.609 -12.413 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.982 1.623 -12.849 1.00 0.00 H new ATOM 923 N ARG A 65 -0.863 0.164 -10.334 1.00 0.00 N ATOM 924 CA ARG A 65 -2.077 -0.597 -10.094 1.00 0.00 C ATOM 925 C ARG A 65 -2.301 -0.779 -8.591 1.00 0.00 C ATOM 926 O ARG A 65 -1.426 -0.461 -7.787 1.00 0.00 O ATOM 927 CB ARG A 65 -2.008 -1.971 -10.763 1.00 0.00 C ATOM 928 CG ARG A 65 -2.919 -2.029 -11.991 1.00 0.00 C ATOM 929 CD ARG A 65 -4.188 -2.831 -11.695 1.00 0.00 C ATOM 930 NE ARG A 65 -3.945 -4.271 -11.936 1.00 0.00 N ATOM 931 CZ ARG A 65 -4.818 -5.241 -11.632 1.00 0.00 C ATOM 932 NH1 ARG A 65 -5.996 -4.932 -11.073 1.00 0.00 N ATOM 933 NH2 ARG A 65 -4.513 -6.521 -11.887 1.00 0.00 N ATOM 0 H ARG A 65 -0.097 -0.373 -10.739 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.909 -0.038 -10.524 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -0.981 -2.185 -11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.302 -2.742 -10.051 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.187 -1.018 -12.298 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.383 -2.484 -12.824 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.494 -2.674 -10.661 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.005 -2.481 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.058 -4.542 -12.360 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.228 -3.958 -10.879 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.660 -5.671 -10.842 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.616 -6.757 -12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.177 -7.259 -11.656 1.00 0.00 H new ATOM 947 N CYS A 66 -3.477 -1.290 -8.258 1.00 0.00 N ATOM 948 CA CYS A 66 -3.827 -1.518 -6.867 1.00 0.00 C ATOM 949 C CYS A 66 -3.469 -2.963 -6.512 1.00 0.00 C ATOM 950 O CYS A 66 -4.333 -3.739 -6.109 1.00 0.00 O ATOM 951 CB CYS A 66 -5.301 -1.213 -6.596 1.00 0.00 C ATOM 952 SG CYS A 66 -6.362 -2.382 -7.522 1.00 0.00 S ATOM 0 H CYS A 66 -4.200 -1.553 -8.928 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.261 -0.837 -6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.507 -1.290 -5.528 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.529 -0.189 -6.892 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.983 -3.601 -7.276 1.00 0.00 H new ATOM 958 N GLY A 67 -2.193 -3.280 -6.676 1.00 0.00 N ATOM 959 CA GLY A 67 -1.710 -4.618 -6.378 1.00 0.00 C ATOM 960 C GLY A 67 -0.340 -4.860 -7.014 1.00 0.00 C ATOM 961 O GLY A 67 0.180 -4.000 -7.723 1.00 0.00 O ATOM 0 H GLY A 67 -1.479 -2.634 -7.011 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.643 -4.752 -5.298 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.422 -5.356 -6.747 1.00 0.00 H new ATOM 965 N PHE A 68 0.206 -6.036 -6.738 1.00 0.00 N ATOM 966 CA PHE A 68 1.506 -6.402 -7.274 1.00 0.00 C ATOM 967 C PHE A 68 1.746 -7.908 -7.148 1.00 0.00 C ATOM 968 O PHE A 68 0.942 -8.621 -6.549 1.00 0.00 O ATOM 969 CB PHE A 68 2.556 -5.659 -6.446 1.00 0.00 C ATOM 970 CG PHE A 68 3.989 -5.843 -6.950 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.379 -5.263 -8.117 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.873 -6.586 -6.232 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.709 -5.433 -8.585 1.00 0.00 C ATOM 974 CE2 PHE A 68 6.203 -6.756 -6.700 1.00 0.00 C ATOM 975 CZ PHE A 68 6.593 -6.176 -7.866 1.00 0.00 C ATOM 0 H PHE A 68 -0.229 -6.747 -6.150 1.00 0.00 H new ATOM 0 HA PHE A 68 1.561 -6.140 -8.331 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.316 -4.596 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.498 -6.001 -5.413 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.677 -4.673 -8.688 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.564 -7.047 -5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.019 -4.972 -9.512 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.905 -7.346 -6.129 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.605 -6.305 -8.221 1.00 0.00 H new ATOM 985 N THR A 69 2.855 -8.348 -7.723 1.00 0.00 N ATOM 986 CA THR A 69 3.212 -9.756 -7.683 1.00 0.00 C ATOM 987 C THR A 69 4.676 -9.924 -7.274 1.00 0.00 C ATOM 988 O THR A 69 5.578 -9.503 -7.997 1.00 0.00 O ATOM 989 CB THR A 69 2.888 -10.364 -9.049 1.00 0.00 C ATOM 990 OG1 THR A 69 1.480 -10.580 -9.009 1.00 0.00 O ATOM 991 CG2 THR A 69 3.476 -11.767 -9.220 1.00 0.00 C ATOM 0 H THR A 69 3.519 -7.754 -8.220 1.00 0.00 H new ATOM 0 HA THR A 69 2.634 -10.290 -6.928 1.00 0.00 H new ATOM 0 HB THR A 69 3.269 -9.712 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.185 -10.971 -9.858 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.217 -12.152 -10.206 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.561 -11.721 -9.122 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.070 -12.428 -8.454 1.00 0.00 H new ATOM 999 N VAL A 70 4.867 -10.540 -6.117 1.00 0.00 N ATOM 1000 CA VAL A 70 6.207 -10.769 -5.603 1.00 0.00 C ATOM 1001 C VAL A 70 6.780 -12.039 -6.235 1.00 0.00 C ATOM 1002 O VAL A 70 6.032 -12.922 -6.653 1.00 0.00 O ATOM 1003 CB VAL A 70 6.179 -10.822 -4.075 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.578 -10.608 -3.493 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.188 -9.803 -3.509 1.00 0.00 C ATOM 0 H VAL A 70 4.116 -10.888 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 70 6.867 -9.945 -5.874 1.00 0.00 H new ATOM 0 HB VAL A 70 5.842 -11.816 -3.781 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.530 -10.650 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.247 -11.388 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.955 -9.633 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.188 -9.862 -2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.481 -8.800 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.188 -10.021 -3.884 1.00 0.00 H new ATOM 1015 N LYS A 71 8.104 -12.092 -6.286 1.00 0.00 N ATOM 1016 CA LYS A 71 8.786 -13.239 -6.859 1.00 0.00 C ATOM 1017 C LYS A 71 9.961 -13.629 -5.961 1.00 0.00 C ATOM 1018 O LYS A 71 10.287 -12.916 -5.014 1.00 0.00 O ATOM 1019 CB LYS A 71 9.187 -12.954 -8.308 1.00 0.00 C ATOM 1020 CG LYS A 71 9.981 -11.650 -8.412 1.00 0.00 C ATOM 1021 CD LYS A 71 9.817 -11.017 -9.795 1.00 0.00 C ATOM 1022 CE LYS A 71 8.520 -10.210 -9.878 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.757 -8.917 -10.558 1.00 0.00 N ATOM 0 H LYS A 71 8.722 -11.358 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 71 8.117 -14.099 -6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.786 -13.780 -8.692 1.00 0.00 H new ATOM 0 HB3 LYS A 71 8.294 -12.891 -8.930 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.643 -10.952 -7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.036 -11.846 -8.221 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.667 -10.368 -10.005 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.814 -11.796 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.764 -10.779 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.129 -10.034 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.867 -8.382 -10.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.462 -8.369 -10.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.109 -9.091 -11.521 1.00 0.00 H new ATOM 1037 N ASP A 72 10.566 -14.761 -6.291 1.00 0.00 N ATOM 1038 CA ASP A 72 11.699 -15.255 -5.526 1.00 0.00 C ATOM 1039 C ASP A 72 11.343 -15.253 -4.038 1.00 0.00 C ATOM 1040 O ASP A 72 11.577 -14.266 -3.341 1.00 0.00 O ATOM 1041 CB ASP A 72 12.926 -14.362 -5.720 1.00 0.00 C ATOM 1042 CG ASP A 72 13.689 -14.587 -7.026 1.00 0.00 C ATOM 1043 OD1 ASP A 72 13.045 -14.458 -8.090 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.900 -14.883 -6.932 1.00 0.00 O ATOM 0 H ASP A 72 10.293 -15.350 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 72 11.928 -16.262 -5.874 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.609 -13.320 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.609 -14.522 -4.886 1.00 0.00 H new ATOM 1049 N LEU A 73 10.784 -16.369 -3.595 1.00 0.00 N ATOM 1050 CA LEU A 73 10.394 -16.509 -2.202 1.00 0.00 C ATOM 1051 C LEU A 73 10.590 -17.962 -1.765 1.00 0.00 C ATOM 1052 O LEU A 73 10.446 -18.881 -2.570 1.00 0.00 O ATOM 1053 CB LEU A 73 8.970 -15.990 -1.990 1.00 0.00 C ATOM 1054 CG LEU A 73 8.675 -14.595 -2.544 1.00 0.00 C ATOM 1055 CD1 LEU A 73 7.169 -14.326 -2.577 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.432 -13.522 -1.759 1.00 0.00 C ATOM 0 H LEU A 73 10.592 -17.185 -4.176 1.00 0.00 H new ATOM 0 HA LEU A 73 11.031 -15.896 -1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.276 -16.695 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.762 -15.986 -0.920 1.00 0.00 H new ATOM 0 HG LEU A 73 9.032 -14.553 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.986 -13.328 -2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.681 -15.065 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.765 -14.393 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 73 9.205 -12.540 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.128 -13.554 -0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.504 -13.707 -1.831 1.00 0.00 H new ATOM 1068 N PRO A 74 10.925 -18.129 -0.457 1.00 0.00 N ATOM 1069 CA PRO A 74 11.143 -19.454 0.096 1.00 0.00 C ATOM 1070 C PRO A 74 9.816 -20.185 0.307 1.00 0.00 C ATOM 1071 O PRO A 74 8.962 -19.724 1.064 1.00 0.00 O ATOM 1072 CB PRO A 74 11.904 -19.220 1.391 1.00 0.00 C ATOM 1073 CG PRO A 74 11.679 -17.759 1.748 1.00 0.00 C ATOM 1074 CD PRO A 74 11.105 -17.063 0.525 1.00 0.00 C ATOM 0 HA PRO A 74 11.711 -20.100 -0.573 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.540 -19.876 2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.966 -19.432 1.264 1.00 0.00 H new ATOM 0 HG2 PRO A 74 10.995 -17.673 2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.616 -17.291 2.049 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.159 -16.573 0.756 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.781 -16.293 0.154 1.00 0.00 H new ATOM 1082 N THR A 75 9.683 -21.313 -0.375 1.00 0.00 N ATOM 1083 CA THR A 75 8.475 -22.113 -0.272 1.00 0.00 C ATOM 1084 C THR A 75 8.302 -22.636 1.155 1.00 0.00 C ATOM 1085 O THR A 75 9.171 -23.336 1.673 1.00 0.00 O ATOM 1086 CB THR A 75 8.551 -23.223 -1.321 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.534 -22.528 -2.565 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.286 -24.083 -1.358 1.00 0.00 C ATOM 0 H THR A 75 10.393 -21.692 -1.002 1.00 0.00 H new ATOM 0 HA THR A 75 7.587 -21.515 -0.476 1.00 0.00 H new ATOM 0 HB THR A 75 9.414 -23.856 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.883 -21.797 -2.522 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.393 -24.855 -2.120 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.136 -24.551 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.427 -23.456 -1.595 1.00 0.00 H new ATOM 1096 N GLY A 76 7.174 -22.277 1.750 1.00 0.00 N ATOM 1097 CA GLY A 76 6.875 -22.702 3.108 1.00 0.00 C ATOM 1098 C GLY A 76 7.561 -21.794 4.130 1.00 0.00 C ATOM 1099 O GLY A 76 8.184 -22.275 5.075 1.00 0.00 O ATOM 0 H GLY A 76 6.456 -21.697 1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.797 -22.687 3.269 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.204 -23.731 3.252 1.00 0.00 H new ATOM 1103 N ALA A 77 7.425 -20.495 3.905 1.00 0.00 N ATOM 1104 CA ALA A 77 8.023 -19.515 4.795 1.00 0.00 C ATOM 1105 C ALA A 77 7.008 -18.407 5.084 1.00 0.00 C ATOM 1106 O ALA A 77 6.410 -17.853 4.163 1.00 0.00 O ATOM 1107 CB ALA A 77 9.311 -18.976 4.169 1.00 0.00 C ATOM 0 H ALA A 77 6.909 -20.099 3.119 1.00 0.00 H new ATOM 0 HA ALA A 77 8.290 -19.974 5.747 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.760 -18.241 4.837 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.010 -19.797 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.082 -18.506 3.213 1.00 0.00 H new ATOM 1113 N ARG A 78 6.845 -18.118 6.366 1.00 0.00 N ATOM 1114 CA ARG A 78 5.912 -17.086 6.788 1.00 0.00 C ATOM 1115 C ARG A 78 6.498 -15.699 6.518 1.00 0.00 C ATOM 1116 O ARG A 78 7.267 -15.178 7.324 1.00 0.00 O ATOM 1117 CB ARG A 78 5.587 -17.213 8.277 1.00 0.00 C ATOM 1118 CG ARG A 78 4.330 -18.059 8.494 1.00 0.00 C ATOM 1119 CD ARG A 78 3.933 -18.083 9.971 1.00 0.00 C ATOM 1120 NE ARG A 78 2.461 -18.176 10.098 1.00 0.00 N ATOM 1121 CZ ARG A 78 1.776 -17.801 11.187 1.00 0.00 C ATOM 1122 NH1 ARG A 78 2.425 -17.306 12.249 1.00 0.00 N ATOM 1123 NH2 ARG A 78 0.442 -17.922 11.213 1.00 0.00 N ATOM 0 H ARG A 78 7.343 -18.580 7.127 1.00 0.00 H new ATOM 0 HA ARG A 78 4.994 -17.215 6.215 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.429 -17.666 8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.441 -16.222 8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.510 -17.657 7.900 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.507 -19.076 8.145 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.404 -18.931 10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.293 -17.182 10.468 1.00 0.00 H new ATOM 0 HE ARG A 78 1.935 -18.549 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.441 -17.214 12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.904 -17.021 13.078 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.052 -18.299 10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.080 -17.637 12.042 1.00 0.00 H new ATOM 1137 N ILE A 79 6.112 -15.140 5.380 1.00 0.00 N ATOM 1138 CA ILE A 79 6.589 -13.823 4.994 1.00 0.00 C ATOM 1139 C ILE A 79 5.445 -12.814 5.117 1.00 0.00 C ATOM 1140 O ILE A 79 4.332 -13.074 4.662 1.00 0.00 O ATOM 1141 CB ILE A 79 7.220 -13.869 3.601 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.391 -14.853 3.563 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.631 -12.470 3.139 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.856 -15.096 2.125 1.00 0.00 C ATOM 0 H ILE A 79 5.475 -15.575 4.713 1.00 0.00 H new ATOM 0 HA ILE A 79 7.380 -13.492 5.667 1.00 0.00 H new ATOM 0 HB ILE A 79 6.471 -14.232 2.898 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.218 -14.462 4.156 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.092 -15.798 4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.077 -12.531 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.752 -11.826 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.357 -12.055 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.689 -15.799 2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 79 8.033 -15.509 1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.177 -14.153 1.682 1.00 0.00 H new ATOM 1156 N LEU A 80 5.758 -11.685 5.735 1.00 0.00 N ATOM 1157 CA LEU A 80 4.770 -10.636 5.923 1.00 0.00 C ATOM 1158 C LEU A 80 4.931 -9.586 4.822 1.00 0.00 C ATOM 1159 O LEU A 80 6.033 -9.096 4.583 1.00 0.00 O ATOM 1160 CB LEU A 80 4.862 -10.062 7.339 1.00 0.00 C ATOM 1161 CG LEU A 80 4.070 -10.805 8.416 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.493 -10.356 9.816 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.564 -10.649 8.196 1.00 0.00 C ATOM 0 H LEU A 80 6.682 -11.473 6.112 1.00 0.00 H new ATOM 0 HA LEU A 80 3.762 -11.041 5.832 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.911 -10.044 7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.520 -9.027 7.313 1.00 0.00 H new ATOM 0 HG LEU A 80 4.299 -11.868 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.914 -10.900 10.563 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.554 -10.561 9.959 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.312 -9.287 9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.025 -11.187 8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.298 -9.593 8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.295 -11.056 7.221 1.00 0.00 H new ATOM 1175 N PHE A 81 3.815 -9.271 4.181 1.00 0.00 N ATOM 1176 CA PHE A 81 3.818 -8.288 3.111 1.00 0.00 C ATOM 1177 C PHE A 81 3.224 -6.960 3.585 1.00 0.00 C ATOM 1178 O PHE A 81 2.320 -6.943 4.420 1.00 0.00 O ATOM 1179 CB PHE A 81 2.947 -8.850 1.986 1.00 0.00 C ATOM 1180 CG PHE A 81 3.517 -10.108 1.327 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.834 -10.165 0.995 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.705 -11.170 1.073 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.363 -11.332 0.384 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.234 -12.337 0.462 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.552 -12.394 0.131 1.00 0.00 C ATOM 0 H PHE A 81 2.902 -9.679 4.382 1.00 0.00 H new ATOM 0 HA PHE A 81 4.840 -8.101 2.780 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.958 -9.077 2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.815 -8.082 1.224 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.478 -9.322 1.196 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.659 -11.125 1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.409 -11.377 0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.590 -13.180 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.954 -13.282 -0.333 1.00 0.00 H new ATOM 1195 N ARG A 82 3.755 -5.880 3.032 1.00 0.00 N ATOM 1196 CA ARG A 82 3.289 -4.551 3.387 1.00 0.00 C ATOM 1197 C ARG A 82 3.323 -3.632 2.165 1.00 0.00 C ATOM 1198 O ARG A 82 4.234 -3.719 1.343 1.00 0.00 O ATOM 1199 CB ARG A 82 4.150 -3.944 4.497 1.00 0.00 C ATOM 1200 CG ARG A 82 5.597 -3.766 4.033 1.00 0.00 C ATOM 1201 CD ARG A 82 6.078 -2.333 4.273 1.00 0.00 C ATOM 1202 NE ARG A 82 7.379 -2.347 4.978 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.274 -1.351 4.924 1.00 0.00 C ATOM 1204 NH1 ARG A 82 8.013 -0.256 4.197 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.429 -1.450 5.596 1.00 0.00 N ATOM 0 H ARG A 82 4.504 -5.898 2.340 1.00 0.00 H new ATOM 0 HA ARG A 82 2.264 -4.644 3.747 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.739 -2.980 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.123 -4.588 5.376 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.242 -4.464 4.567 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.675 -4.007 2.973 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.176 -1.810 3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.341 -1.787 4.863 1.00 0.00 H new ATOM 0 HE ARG A 82 7.609 -3.166 5.540 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.134 -0.181 3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.694 0.503 4.155 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.627 -2.284 6.149 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.110 -0.692 5.554 1.00 0.00 H new ATOM 1219 N VAL A 83 2.319 -2.771 2.083 1.00 0.00 N ATOM 1220 CA VAL A 83 2.222 -1.837 0.974 1.00 0.00 C ATOM 1221 C VAL A 83 2.173 -0.409 1.520 1.00 0.00 C ATOM 1222 O VAL A 83 1.362 -0.101 2.393 1.00 0.00 O ATOM 1223 CB VAL A 83 1.016 -2.186 0.100 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.494 -0.948 -0.633 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.359 -3.303 -0.887 1.00 0.00 C ATOM 0 H VAL A 83 1.565 -2.701 2.767 1.00 0.00 H new ATOM 0 HA VAL A 83 3.101 -1.910 0.334 1.00 0.00 H new ATOM 0 HB VAL A 83 0.222 -2.548 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.363 -1.223 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.192 -0.195 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.281 -0.543 -1.269 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.484 -3.532 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.176 -2.980 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.661 -4.194 -0.337 1.00 0.00 H new ATOM 1235 N VAL A 84 3.049 0.427 0.982 1.00 0.00 N ATOM 1236 CA VAL A 84 3.116 1.816 1.404 1.00 0.00 C ATOM 1237 C VAL A 84 2.964 2.723 0.182 1.00 0.00 C ATOM 1238 O VAL A 84 3.593 2.493 -0.849 1.00 0.00 O ATOM 1239 CB VAL A 84 4.412 2.066 2.177 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.273 1.630 3.637 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.595 1.366 1.506 1.00 0.00 C ATOM 0 H VAL A 84 3.719 0.169 0.257 1.00 0.00 H new ATOM 0 HA VAL A 84 2.297 2.048 2.085 1.00 0.00 H new ATOM 0 HB VAL A 84 4.607 3.138 2.165 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.208 1.819 4.164 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.470 2.195 4.110 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.042 0.566 3.678 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.504 1.560 2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.411 0.292 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.715 1.746 0.491 1.00 0.00 H new ATOM 1251 N GLY A 85 2.124 3.736 0.337 1.00 0.00 N ATOM 1252 CA GLY A 85 1.881 4.680 -0.741 1.00 0.00 C ATOM 1253 C GLY A 85 2.974 5.750 -0.790 1.00 0.00 C ATOM 1254 O GLY A 85 3.169 6.487 0.175 1.00 0.00 O ATOM 0 H GLY A 85 1.603 3.924 1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.844 4.149 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.909 5.154 -0.602 1.00 0.00 H new ATOM 1258 N VAL A 86 3.658 5.800 -1.923 1.00 0.00 N ATOM 1259 CA VAL A 86 4.726 6.767 -2.111 1.00 0.00 C ATOM 1260 C VAL A 86 4.150 8.043 -2.729 1.00 0.00 C ATOM 1261 O VAL A 86 3.066 8.021 -3.309 1.00 0.00 O ATOM 1262 CB VAL A 86 5.849 6.151 -2.948 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.680 5.173 -2.115 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.290 5.469 -4.198 1.00 0.00 C ATOM 0 H VAL A 86 3.493 5.186 -2.721 1.00 0.00 H new ATOM 0 HA VAL A 86 5.167 7.040 -1.152 1.00 0.00 H new ATOM 0 HB VAL A 86 6.506 6.958 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.471 4.749 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.123 5.700 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 86 6.039 4.372 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.109 5.040 -4.775 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.600 4.678 -3.903 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.762 6.203 -4.807 1.00 0.00 H new ATOM 1274 N ASN A 87 4.902 9.124 -2.584 1.00 0.00 N ATOM 1275 CA ASN A 87 4.480 10.406 -3.121 1.00 0.00 C ATOM 1276 C ASN A 87 5.525 11.469 -2.773 1.00 0.00 C ATOM 1277 O ASN A 87 6.460 11.201 -2.020 1.00 0.00 O ATOM 1278 CB ASN A 87 3.143 10.843 -2.519 1.00 0.00 C ATOM 1279 CG ASN A 87 3.107 10.575 -1.013 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.858 11.142 -0.237 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.194 9.681 -0.644 1.00 0.00 N ATOM 0 H ASN A 87 5.801 9.138 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 87 4.372 10.300 -4.200 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.985 11.905 -2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.328 10.308 -3.007 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.091 9.433 0.340 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.597 9.243 -1.345 1.00 0.00 H new ATOM 1288 N ILE A 88 5.330 12.651 -3.338 1.00 0.00 N ATOM 1289 CA ILE A 88 6.244 13.755 -3.096 1.00 0.00 C ATOM 1290 C ILE A 88 6.398 13.964 -1.589 1.00 0.00 C ATOM 1291 O ILE A 88 7.430 14.450 -1.128 1.00 0.00 O ATOM 1292 CB ILE A 88 5.783 15.006 -3.846 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.876 16.076 -3.853 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.467 15.536 -3.272 1.00 0.00 C ATOM 1295 CD1 ILE A 88 7.111 16.611 -5.268 1.00 0.00 C ATOM 0 H ILE A 88 4.553 12.869 -3.962 1.00 0.00 H new ATOM 0 HA ILE A 88 7.234 13.522 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 88 5.595 14.731 -4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.592 16.896 -3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.802 15.657 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.162 16.425 -3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.696 14.771 -3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.605 15.790 -2.221 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.893 17.370 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.419 15.793 -5.920 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.189 17.051 -5.648 1.00 0.00 H new ATOM 1307 N ALA A 89 5.357 13.585 -0.862 1.00 0.00 N ATOM 1308 CA ALA A 89 5.363 13.725 0.585 1.00 0.00 C ATOM 1309 C ALA A 89 6.299 12.676 1.189 1.00 0.00 C ATOM 1310 O ALA A 89 6.834 12.872 2.280 1.00 0.00 O ATOM 1311 CB ALA A 89 3.934 13.606 1.116 1.00 0.00 C ATOM 0 H ALA A 89 4.504 13.181 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 89 5.737 14.707 0.874 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.939 13.711 2.201 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.317 14.391 0.678 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.526 12.631 0.848 1.00 0.00 H new ATOM 1317 N GLY A 90 6.468 11.586 0.455 1.00 0.00 N ATOM 1318 CA GLY A 90 7.330 10.507 0.906 1.00 0.00 C ATOM 1319 C GLY A 90 6.588 9.169 0.887 1.00 0.00 C ATOM 1320 O GLY A 90 6.295 8.632 -0.180 1.00 0.00 O ATOM 0 H GLY A 90 6.023 11.427 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.210 10.448 0.266 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.684 10.717 1.916 1.00 0.00 H new ATOM 1324 N ARG A 91 6.305 8.669 2.081 1.00 0.00 N ATOM 1325 CA ARG A 91 5.602 7.404 2.215 1.00 0.00 C ATOM 1326 C ARG A 91 4.509 7.514 3.279 1.00 0.00 C ATOM 1327 O ARG A 91 4.502 8.455 4.072 1.00 0.00 O ATOM 1328 CB ARG A 91 6.565 6.278 2.597 1.00 0.00 C ATOM 1329 CG ARG A 91 7.395 6.659 3.825 1.00 0.00 C ATOM 1330 CD ARG A 91 7.309 5.577 4.903 1.00 0.00 C ATOM 1331 NE ARG A 91 7.612 6.159 6.229 1.00 0.00 N ATOM 1332 CZ ARG A 91 8.850 6.307 6.720 1.00 0.00 C ATOM 1333 NH1 ARG A 91 9.908 5.915 5.996 1.00 0.00 N ATOM 1334 NH2 ARG A 91 9.031 6.845 7.933 1.00 0.00 N ATOM 0 H ARG A 91 6.550 9.117 2.964 1.00 0.00 H new ATOM 0 HA ARG A 91 5.152 7.171 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.002 5.367 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.227 6.061 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.435 6.805 3.534 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.040 7.608 4.228 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.312 5.137 4.909 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.011 4.773 4.680 1.00 0.00 H new ATOM 0 HE ARG A 91 6.829 6.467 6.806 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.770 5.505 5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.851 6.027 6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.226 7.143 8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.974 6.957 8.306 1.00 0.00 H new ATOM 1348 N SER A 92 3.611 6.540 3.263 1.00 0.00 N ATOM 1349 CA SER A 92 2.516 6.516 4.217 1.00 0.00 C ATOM 1350 C SER A 92 2.578 5.236 5.053 1.00 0.00 C ATOM 1351 O SER A 92 3.352 4.329 4.750 1.00 0.00 O ATOM 1352 CB SER A 92 1.164 6.620 3.507 1.00 0.00 C ATOM 1353 OG SER A 92 0.709 5.354 3.037 1.00 0.00 O ATOM 0 H SER A 92 3.620 5.761 2.604 1.00 0.00 H new ATOM 0 HA SER A 92 2.618 7.379 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.426 7.039 4.191 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.248 7.310 2.667 1.00 0.00 H new ATOM 0 HG SER A 92 0.446 5.430 2.096 1.00 0.00 H new ATOM 1359 N GLU A 93 1.753 5.204 6.090 1.00 0.00 N ATOM 1360 CA GLU A 93 1.704 4.050 6.972 1.00 0.00 C ATOM 1361 C GLU A 93 1.607 2.760 6.155 1.00 0.00 C ATOM 1362 O GLU A 93 0.844 2.687 5.193 1.00 0.00 O ATOM 1363 CB GLU A 93 0.541 4.163 7.959 1.00 0.00 C ATOM 1364 CG GLU A 93 0.878 5.131 9.095 1.00 0.00 C ATOM 1365 CD GLU A 93 0.240 4.676 10.410 1.00 0.00 C ATOM 1366 OE1 GLU A 93 0.708 3.647 10.942 1.00 0.00 O ATOM 1367 OE2 GLU A 93 -0.702 5.369 10.852 1.00 0.00 O ATOM 0 H GLU A 93 1.113 5.959 6.339 1.00 0.00 H new ATOM 0 HA GLU A 93 2.627 4.021 7.551 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.352 4.506 7.437 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.311 3.180 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.960 5.195 9.214 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.525 6.131 8.842 1.00 0.00 H new ATOM 1374 N PRO A 94 2.412 1.749 6.578 1.00 0.00 N ATOM 1375 CA PRO A 94 2.423 0.466 5.896 1.00 0.00 C ATOM 1376 C PRO A 94 1.170 -0.344 6.232 1.00 0.00 C ATOM 1377 O PRO A 94 0.858 -0.555 7.403 1.00 0.00 O ATOM 1378 CB PRO A 94 3.707 -0.209 6.351 1.00 0.00 C ATOM 1379 CG PRO A 94 4.132 0.513 7.619 1.00 0.00 C ATOM 1380 CD PRO A 94 3.328 1.800 7.713 1.00 0.00 C ATOM 0 HA PRO A 94 2.404 0.566 4.811 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.544 -1.270 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.478 -0.138 5.584 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.954 -0.113 8.493 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.200 0.731 7.595 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.786 1.860 8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.975 2.676 7.661 1.00 0.00 H new ATOM 1388 N ALA A 95 0.485 -0.777 5.183 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.727 -1.560 5.352 1.00 0.00 C ATOM 1390 C ALA A 95 -0.355 -3.025 5.587 1.00 0.00 C ATOM 1391 O ALA A 95 -0.833 -3.911 4.881 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.628 -1.376 4.129 1.00 0.00 C ATOM 0 H ALA A 95 0.747 -0.600 4.213 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.286 -1.219 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.537 -1.963 4.255 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.888 -0.323 4.024 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.101 -1.711 3.235 1.00 0.00 H new ATOM 1398 N THR A 96 0.495 -3.234 6.582 1.00 0.00 N ATOM 1399 CA THR A 96 0.938 -4.576 6.919 1.00 0.00 C ATOM 1400 C THR A 96 -0.235 -5.556 6.852 1.00 0.00 C ATOM 1401 O THR A 96 -1.365 -5.202 7.186 1.00 0.00 O ATOM 1402 CB THR A 96 1.607 -4.522 8.294 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.314 -3.285 8.287 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.703 -5.578 8.453 1.00 0.00 C ATOM 0 H THR A 96 0.889 -2.496 7.166 1.00 0.00 H new ATOM 0 HA THR A 96 1.670 -4.944 6.200 1.00 0.00 H new ATOM 0 HB THR A 96 0.854 -4.661 9.070 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.776 -3.168 9.143 1.00 0.00 H new ATOM 0 HG21 THR A 96 3.145 -5.497 9.446 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.272 -6.571 8.328 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.473 -5.419 7.698 1.00 0.00 H new ATOM 1412 N LEU A 97 0.074 -6.770 6.419 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.941 -7.804 6.304 1.00 0.00 C ATOM 1414 C LEU A 97 -1.348 -8.271 7.703 1.00 0.00 C ATOM 1415 O LEU A 97 -0.522 -8.307 8.614 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.453 -8.935 5.396 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.606 -8.701 3.892 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.164 -9.931 3.098 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.035 -8.278 3.546 1.00 0.00 C ATOM 0 H LEU A 97 1.012 -7.061 6.144 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.837 -7.407 5.827 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.600 -9.117 5.610 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.994 -9.844 5.659 1.00 0.00 H new ATOM 0 HG LEU A 97 0.051 -7.880 3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.283 -9.738 2.032 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.883 -10.146 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.776 -10.787 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.117 -8.118 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.730 -9.061 3.850 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.278 -7.354 4.070 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.621 -8.616 7.830 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.147 -9.079 9.102 1.00 0.00 C ATOM 1433 C LEU A 98 -2.615 -10.485 9.388 1.00 0.00 C ATOM 1434 O LEU A 98 -2.670 -10.954 10.524 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.674 -8.985 9.116 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.263 -7.595 8.869 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.344 -7.641 7.788 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.780 -6.979 10.171 1.00 0.00 C ATOM 0 H LEU A 98 -3.303 -8.584 7.072 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.803 -8.437 9.913 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.067 -9.664 8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.031 -9.343 10.082 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.467 -6.948 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.746 -6.640 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.912 -8.007 6.857 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.146 -8.309 8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.193 -5.991 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.556 -7.617 10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.959 -6.889 10.882 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.111 -11.117 8.339 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.570 -12.460 8.463 1.00 0.00 C ATOM 1452 C GLN A 99 -0.431 -12.668 7.462 1.00 0.00 C ATOM 1453 O GLN A 99 -0.426 -12.067 6.389 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.664 -13.512 8.275 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.599 -13.554 9.485 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.255 -14.929 9.624 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -3.922 -15.877 8.933 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -5.204 -14.984 10.555 1.00 0.00 N ATOM 0 H GLN A 99 -2.066 -10.724 7.399 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.169 -12.577 9.470 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.238 -13.288 7.375 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.210 -14.492 8.128 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.038 -13.321 10.390 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.368 -12.789 9.381 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.434 -14.152 11.099 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.702 -15.858 10.725 1.00 0.00 H new ATOM 1467 N PRO A 100 0.530 -13.543 7.859 1.00 0.00 N ATOM 1468 CA PRO A 100 1.672 -13.838 7.009 1.00 0.00 C ATOM 1469 C PRO A 100 1.270 -14.752 5.850 1.00 0.00 C ATOM 1470 O PRO A 100 0.103 -15.116 5.717 1.00 0.00 O ATOM 1471 CB PRO A 100 2.699 -14.470 7.935 1.00 0.00 C ATOM 1472 CG PRO A 100 1.928 -14.929 9.161 1.00 0.00 C ATOM 1473 CD PRO A 100 0.557 -14.273 9.123 1.00 0.00 C ATOM 0 HA PRO A 100 2.081 -12.948 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.198 -15.309 7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.474 -13.753 8.207 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.832 -16.015 9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.459 -14.651 10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.239 -15.016 9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.415 -13.602 9.971 1.00 0.00 H new ATOM 1481 N VAL A 101 2.260 -15.095 5.039 1.00 0.00 N ATOM 1482 CA VAL A 101 2.025 -15.959 3.895 1.00 0.00 C ATOM 1483 C VAL A 101 2.989 -17.146 3.950 1.00 0.00 C ATOM 1484 O VAL A 101 4.185 -16.968 4.175 1.00 0.00 O ATOM 1485 CB VAL A 101 2.141 -15.155 2.598 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.203 -16.081 1.382 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.989 -14.156 2.468 1.00 0.00 C ATOM 0 H VAL A 101 3.227 -14.790 5.152 1.00 0.00 H new ATOM 0 HA VAL A 101 1.012 -16.361 3.923 1.00 0.00 H new ATOM 0 HB VAL A 101 3.072 -14.590 2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.285 -15.484 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.071 -16.735 1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.297 -16.685 1.338 1.00 0.00 H new ATOM 0 HG21 VAL A 101 1.095 -13.597 1.538 1.00 0.00 H new ATOM 0 HG22 VAL A 101 0.041 -14.693 2.463 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.010 -13.465 3.311 1.00 0.00 H new ATOM 1497 N THR A 102 2.432 -18.330 3.741 1.00 0.00 N ATOM 1498 CA THR A 102 3.228 -19.545 3.764 1.00 0.00 C ATOM 1499 C THR A 102 3.986 -19.712 2.446 1.00 0.00 C ATOM 1500 O THR A 102 5.027 -20.367 2.402 1.00 0.00 O ATOM 1501 CB THR A 102 2.295 -20.716 4.080 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.468 -20.931 5.478 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.761 -22.026 3.441 1.00 0.00 C ATOM 0 H THR A 102 1.439 -18.474 3.555 1.00 0.00 H new ATOM 0 HA THR A 102 3.993 -19.501 4.539 1.00 0.00 H new ATOM 0 HB THR A 102 1.289 -20.481 3.733 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.897 -21.673 5.768 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.064 -22.824 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.798 -21.910 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.754 -22.279 3.813 1.00 0.00 H new ATOM 1511 N ILE A 103 3.436 -19.107 1.403 1.00 0.00 N ATOM 1512 CA ILE A 103 4.047 -19.180 0.087 1.00 0.00 C ATOM 1513 C ILE A 103 3.964 -20.618 -0.431 1.00 0.00 C ATOM 1514 O ILE A 103 4.772 -21.465 -0.054 1.00 0.00 O ATOM 1515 CB ILE A 103 5.472 -18.623 0.126 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.489 -17.202 0.692 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.128 -18.698 -1.254 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.762 -16.231 -0.240 1.00 0.00 C ATOM 0 H ILE A 103 2.574 -18.564 1.443 1.00 0.00 H new ATOM 0 HA ILE A 103 3.503 -18.554 -0.620 1.00 0.00 H new ATOM 0 HB ILE A 103 6.064 -19.245 0.798 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.016 -17.192 1.674 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.519 -16.875 0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.140 -18.296 -1.198 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.168 -19.737 -1.582 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.545 -18.115 -1.966 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.789 -15.228 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.253 -16.225 -1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.726 -16.547 -0.358 1.00 0.00 H new ATOM 1530 N ARG A 104 2.978 -20.848 -1.286 1.00 0.00 N ATOM 1531 CA ARG A 104 2.779 -22.169 -1.859 1.00 0.00 C ATOM 1532 C ARG A 104 1.604 -22.149 -2.840 1.00 0.00 C ATOM 1533 O ARG A 104 0.677 -21.355 -2.688 1.00 0.00 O ATOM 1534 CB ARG A 104 2.507 -23.207 -0.769 1.00 0.00 C ATOM 1535 CG ARG A 104 3.557 -24.319 -0.798 1.00 0.00 C ATOM 1536 CD ARG A 104 3.951 -24.738 0.620 1.00 0.00 C ATOM 1537 NE ARG A 104 3.583 -26.153 0.851 1.00 0.00 N ATOM 1538 CZ ARG A 104 3.993 -26.874 1.903 1.00 0.00 C ATOM 1539 NH1 ARG A 104 4.786 -26.318 2.828 1.00 0.00 N ATOM 1540 NH2 ARG A 104 3.609 -28.152 2.030 1.00 0.00 N ATOM 0 H ARG A 104 2.309 -20.143 -1.596 1.00 0.00 H new ATOM 0 HA ARG A 104 3.693 -22.444 -2.386 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.511 -22.724 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.514 -23.635 -0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.165 -25.180 -1.340 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.440 -23.977 -1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.023 -24.605 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.451 -24.100 1.349 1.00 0.00 H new ATOM 0 HE ARG A 104 2.979 -26.608 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 104 5.078 -25.345 2.732 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.098 -26.867 3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 104 3.005 -28.575 1.326 1.00 0.00 H new ATOM 0 HH22 ARG A 104 3.921 -28.701 2.831 1.00 0.00 H new ATOM 1554 N GLU A 105 1.682 -23.033 -3.823 1.00 0.00 N ATOM 1555 CA GLU A 105 0.636 -23.128 -4.828 1.00 0.00 C ATOM 1556 C GLU A 105 -0.344 -24.247 -4.471 1.00 0.00 C ATOM 1557 O GLU A 105 -0.091 -25.030 -3.557 1.00 0.00 O ATOM 1558 CB GLU A 105 1.232 -23.346 -6.221 1.00 0.00 C ATOM 1559 CG GLU A 105 0.488 -22.519 -7.271 1.00 0.00 C ATOM 1560 CD GLU A 105 0.517 -23.212 -8.635 1.00 0.00 C ATOM 1561 OE1 GLU A 105 1.639 -23.526 -9.088 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -0.583 -23.412 -9.194 1.00 0.00 O ATOM 0 H GLU A 105 2.453 -23.690 -3.946 1.00 0.00 H new ATOM 0 HA GLU A 105 0.090 -22.185 -4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.287 -23.071 -6.216 1.00 0.00 H new ATOM 0 HB3 GLU A 105 1.180 -24.403 -6.482 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.545 -22.370 -6.957 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.943 -21.532 -7.351 1.00 0.00 H new