USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 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 71 THR OG1 : rot 132:sc= 0.924 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0.466 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 12 HIS : no HE2:sc= -4.87 K(o=-4.9,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= -1.07 (180deg=-2.91!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 1.12 K(o=1.1,f=-0.017) USER MOD Single : A 33 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 1.2 (180deg=1.14) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0.0124 USER MOD Single : A 65 SER OG : rot 80:sc= 1.36 USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 0.061 (180deg=-0.00489) USER MOD Single : A 72 TYR OH : rot 0:sc= 0.257 USER MOD Single : A 84 LYS NZ :NH3+ 157:sc= 0.944 (180deg=0.587) USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 3 -9.012 0.134 7.020 1.00 0.00 N ATOM 29 CA LEU A 3 -7.661 -0.220 7.421 1.00 0.00 C ATOM 30 C LEU A 3 -6.846 0.982 7.071 1.00 0.00 C ATOM 31 O LEU A 3 -6.513 1.192 5.910 1.00 0.00 O ATOM 32 CB LEU A 3 -7.178 -1.492 6.701 1.00 0.00 C ATOM 33 CG LEU A 3 -7.833 -2.742 7.346 1.00 0.00 C ATOM 34 CD1 LEU A 3 -7.450 -4.051 6.658 1.00 0.00 C ATOM 35 CD2 LEU A 3 -7.423 -2.898 8.822 1.00 0.00 C ATOM 0 HA LEU A 3 -7.585 -0.461 8.481 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.434 -1.441 5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -6.092 -1.566 6.763 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.904 -2.568 7.241 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.943 -4.884 7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -7.764 -4.019 5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.369 -4.186 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.901 -3.784 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.340 -3.003 8.890 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.737 -2.017 9.382 1.00 0.00 H new ATOM 47 N VAL A 4 -6.643 1.831 8.066 1.00 0.00 N ATOM 48 CA VAL A 4 -6.059 3.137 7.857 1.00 0.00 C ATOM 49 C VAL A 4 -4.666 3.169 8.468 1.00 0.00 C ATOM 50 O VAL A 4 -4.244 4.152 9.075 1.00 0.00 O ATOM 51 CB VAL A 4 -7.016 4.175 8.440 1.00 0.00 C ATOM 52 CG1 VAL A 4 -8.402 4.082 7.783 1.00 0.00 C ATOM 53 CG2 VAL A 4 -7.105 4.109 9.970 1.00 0.00 C ATOM 0 H VAL A 4 -6.880 1.630 9.038 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.928 3.368 6.800 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.599 5.154 8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.062 4.833 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.309 4.258 6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.819 3.090 7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.799 4.869 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.460 3.123 10.272 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.119 4.287 10.400 1.00 0.00 H new ATOM 63 N LEU A 5 -3.959 2.063 8.330 1.00 0.00 N ATOM 64 CA LEU A 5 -2.728 1.786 9.013 1.00 0.00 C ATOM 65 C LEU A 5 -2.059 0.722 8.175 1.00 0.00 C ATOM 66 O LEU A 5 -2.711 -0.265 7.831 1.00 0.00 O ATOM 67 CB LEU A 5 -3.002 1.304 10.433 1.00 0.00 C ATOM 68 CG LEU A 5 -3.993 0.115 10.560 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.290 -1.209 10.880 1.00 0.00 C ATOM 70 CD2 LEU A 5 -5.018 0.397 11.652 1.00 0.00 C ATOM 0 H LEU A 5 -4.247 1.306 7.710 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.095 2.667 9.119 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.055 1.014 10.888 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.391 2.141 11.013 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.481 0.015 9.590 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.031 -2.005 10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.583 -1.447 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.755 -1.118 11.825 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.707 -0.444 11.731 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.506 0.537 12.604 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.575 1.300 11.403 1.00 0.00 H new ATOM 82 N VAL A 6 -0.795 0.908 7.825 1.00 0.00 N ATOM 83 CA VAL A 6 -0.053 -0.152 7.174 1.00 0.00 C ATOM 84 C VAL A 6 1.432 0.031 7.471 1.00 0.00 C ATOM 85 O VAL A 6 2.287 0.119 6.592 1.00 0.00 O ATOM 86 CB VAL A 6 -0.453 -0.284 5.691 1.00 0.00 C ATOM 87 CG1 VAL A 6 -0.191 0.985 4.880 1.00 0.00 C ATOM 88 CG2 VAL A 6 0.146 -1.573 5.104 1.00 0.00 C ATOM 0 H VAL A 6 -0.272 1.770 7.979 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.311 -1.130 7.580 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.536 -0.386 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.494 0.825 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.763 1.811 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.872 1.225 4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.139 -1.662 4.056 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.233 -1.538 5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.230 -2.434 5.657 1.00 0.00 H new ATOM 98 N LYS A 7 1.755 0.085 8.757 1.00 0.00 N ATOM 99 CA LYS A 7 3.123 0.155 9.231 1.00 0.00 C ATOM 100 C LYS A 7 3.479 -1.116 9.994 1.00 0.00 C ATOM 101 O LYS A 7 4.345 -1.073 10.868 1.00 0.00 O ATOM 102 CB LYS A 7 3.238 1.385 10.160 1.00 0.00 C ATOM 103 CG LYS A 7 2.215 1.356 11.318 1.00 0.00 C ATOM 104 CD LYS A 7 2.628 2.224 12.508 1.00 0.00 C ATOM 105 CE LYS A 7 1.379 2.614 13.306 1.00 0.00 C ATOM 106 NZ LYS A 7 1.648 3.697 14.271 1.00 0.00 N ATOM 0 H LYS A 7 1.063 0.081 9.506 1.00 0.00 H new ATOM 0 HA LYS A 7 3.812 0.248 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.246 1.431 10.572 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.092 2.292 9.574 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.247 1.695 10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.086 0.327 11.654 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.326 1.680 13.145 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.145 3.118 12.159 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.595 2.930 12.618 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.003 1.740 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.775 3.927 14.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.378 3.388 14.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.982 4.540 13.762 1.00 0.00 H new ATOM 120 N TYR A 8 2.988 -2.277 9.571 1.00 0.00 N ATOM 121 CA TYR A 8 3.268 -3.522 10.269 1.00 0.00 C ATOM 122 C TYR A 8 3.268 -4.691 9.291 1.00 0.00 C ATOM 123 O TYR A 8 2.985 -5.821 9.680 1.00 0.00 O ATOM 124 CB TYR A 8 2.155 -3.696 11.327 1.00 0.00 C ATOM 125 CG TYR A 8 2.663 -4.179 12.662 1.00 0.00 C ATOM 126 CD1 TYR A 8 3.079 -3.234 13.619 1.00 0.00 C ATOM 127 CD2 TYR A 8 2.712 -5.555 12.951 1.00 0.00 C ATOM 128 CE1 TYR A 8 3.556 -3.664 14.867 1.00 0.00 C ATOM 129 CE2 TYR A 8 3.212 -5.989 14.191 1.00 0.00 C ATOM 130 CZ TYR A 8 3.642 -5.046 15.148 1.00 0.00 C ATOM 131 OH TYR A 8 4.148 -5.476 16.332 1.00 0.00 O ATOM 0 H TYR A 8 2.394 -2.379 8.748 1.00 0.00 H new ATOM 0 HA TYR A 8 4.251 -3.497 10.740 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.644 -2.743 11.465 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.415 -4.403 10.951 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.031 -2.179 13.393 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.367 -6.275 12.223 1.00 0.00 H new ATOM 0 HE1 TYR A 8 3.856 -2.941 15.610 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.267 -7.045 14.411 1.00 0.00 H new ATOM 0 HH TYR A 8 4.132 -6.456 16.358 1.00 0.00 H new ATOM 141 N GLY A 9 3.761 -4.471 8.071 1.00 0.00 N ATOM 142 CA GLY A 9 3.662 -5.437 6.996 1.00 0.00 C ATOM 143 C GLY A 9 2.195 -5.767 6.776 1.00 0.00 C ATOM 144 O GLY A 9 1.413 -4.929 6.314 1.00 0.00 O ATOM 0 H GLY A 9 4.241 -3.610 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.100 -5.034 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.220 -6.340 7.246 1.00 0.00 H new ATOM 148 N THR A 10 1.817 -6.974 7.154 1.00 0.00 N ATOM 149 CA THR A 10 0.597 -7.608 6.675 1.00 0.00 C ATOM 150 C THR A 10 -0.604 -7.224 7.543 1.00 0.00 C ATOM 151 O THR A 10 -0.946 -7.958 8.473 1.00 0.00 O ATOM 152 CB THR A 10 0.805 -9.124 6.500 1.00 0.00 C ATOM 153 OG1 THR A 10 1.575 -9.689 7.551 1.00 0.00 O ATOM 154 CG2 THR A 10 1.545 -9.400 5.185 1.00 0.00 C ATOM 0 H THR A 10 2.350 -7.548 7.807 1.00 0.00 H new ATOM 0 HA THR A 10 0.358 -7.230 5.681 1.00 0.00 H new ATOM 0 HB THR A 10 -0.186 -9.577 6.504 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.680 -10.651 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.689 -10.474 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.957 -9.019 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.515 -8.904 5.202 1.00 0.00 H new ATOM 162 N ASP A 11 -1.233 -6.066 7.273 1.00 0.00 N ATOM 163 CA ASP A 11 -2.492 -5.717 7.940 1.00 0.00 C ATOM 164 C ASP A 11 -3.386 -4.748 7.119 1.00 0.00 C ATOM 165 O ASP A 11 -4.025 -3.875 7.701 1.00 0.00 O ATOM 166 CB ASP A 11 -2.169 -5.156 9.357 1.00 0.00 C ATOM 167 CG ASP A 11 -3.204 -5.538 10.427 1.00 0.00 C ATOM 168 OD1 ASP A 11 -3.697 -6.691 10.411 1.00 0.00 O ATOM 169 OD2 ASP A 11 -3.431 -4.772 11.394 1.00 0.00 O ATOM 0 H ASP A 11 -0.895 -5.370 6.609 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.088 -6.625 8.030 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.189 -5.520 9.667 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.103 -4.069 9.301 1.00 0.00 H new ATOM 174 N HIS A 12 -3.470 -4.886 5.778 1.00 0.00 N ATOM 175 CA HIS A 12 -4.282 -4.034 4.880 1.00 0.00 C ATOM 176 C HIS A 12 -4.495 -4.690 3.498 1.00 0.00 C ATOM 177 O HIS A 12 -3.877 -5.721 3.231 1.00 0.00 O ATOM 178 CB HIS A 12 -3.651 -2.619 4.801 1.00 0.00 C ATOM 179 CG HIS A 12 -2.711 -2.375 3.640 1.00 0.00 C ATOM 180 ND1 HIS A 12 -1.935 -3.315 2.999 1.00 0.00 N ATOM 181 CD2 HIS A 12 -2.437 -1.165 3.056 1.00 0.00 C ATOM 182 CE1 HIS A 12 -1.230 -2.689 2.050 1.00 0.00 C ATOM 183 NE2 HIS A 12 -1.479 -1.376 2.061 1.00 0.00 N ATOM 0 H HIS A 12 -2.961 -5.613 5.276 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.284 -3.926 5.296 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -4.456 -1.886 4.751 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.108 -2.433 5.728 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -1.903 -4.312 3.210 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -2.883 -0.217 3.319 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.551 -3.179 1.367 1.00 0.00 H new ATOM 191 N PRO A 13 -5.366 -4.171 2.612 1.00 0.00 N ATOM 192 CA PRO A 13 -5.531 -4.719 1.263 1.00 0.00 C ATOM 193 C PRO A 13 -4.342 -4.394 0.356 1.00 0.00 C ATOM 194 O PRO A 13 -3.689 -3.407 0.619 1.00 0.00 O ATOM 195 CB PRO A 13 -6.803 -4.052 0.757 1.00 0.00 C ATOM 196 CG PRO A 13 -6.912 -2.728 1.505 1.00 0.00 C ATOM 197 CD PRO A 13 -6.257 -3.037 2.841 1.00 0.00 C ATOM 0 HA PRO A 13 -5.589 -5.807 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -6.756 -3.889 -0.320 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.674 -4.679 0.946 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -6.397 -1.924 0.979 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.950 -2.417 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -5.701 -2.175 3.209 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -7.007 -3.278 3.594 1.00 0.00 H new ATOM 205 N VAL A 14 -4.078 -5.199 -0.694 1.00 0.00 N ATOM 206 CA VAL A 14 -3.187 -4.997 -1.840 1.00 0.00 C ATOM 207 C VAL A 14 -2.948 -6.366 -2.470 1.00 0.00 C ATOM 208 O VAL A 14 -2.929 -6.476 -3.683 1.00 0.00 O ATOM 209 CB VAL A 14 -1.886 -4.234 -1.475 1.00 0.00 C ATOM 210 CG1 VAL A 14 -0.642 -4.634 -2.272 1.00 0.00 C ATOM 211 CG2 VAL A 14 -2.024 -2.705 -1.606 1.00 0.00 C ATOM 0 H VAL A 14 -4.539 -6.106 -0.760 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.656 -4.339 -2.572 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.744 -4.530 -0.436 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.210 -4.041 -1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.433 -5.692 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.816 -4.454 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.081 -2.230 -1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.278 -2.449 -2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.811 -2.352 -0.939 1.00 0.00 H new ATOM 221 N GLU A 15 -2.908 -7.441 -1.677 1.00 0.00 N ATOM 222 CA GLU A 15 -2.694 -8.800 -2.211 1.00 0.00 C ATOM 223 C GLU A 15 -3.465 -9.853 -1.433 1.00 0.00 C ATOM 224 O GLU A 15 -3.355 -11.038 -1.696 1.00 0.00 O ATOM 225 CB GLU A 15 -1.184 -9.136 -2.331 1.00 0.00 C ATOM 226 CG GLU A 15 -0.532 -8.363 -3.489 1.00 0.00 C ATOM 227 CD GLU A 15 0.807 -8.890 -4.018 1.00 0.00 C ATOM 228 OE1 GLU A 15 1.060 -10.108 -3.950 1.00 0.00 O ATOM 229 OE2 GLU A 15 1.576 -8.069 -4.559 1.00 0.00 O ATOM 0 H GLU A 15 -3.020 -7.402 -0.664 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.101 -8.814 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.679 -8.891 -1.397 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.059 -10.207 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.238 -8.340 -4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.386 -7.332 -3.167 1.00 0.00 H new ATOM 236 N LYS A 16 -4.357 -9.450 -0.534 1.00 0.00 N ATOM 237 CA LYS A 16 -5.155 -10.390 0.222 1.00 0.00 C ATOM 238 C LYS A 16 -6.369 -9.697 0.765 1.00 0.00 C ATOM 239 O LYS A 16 -7.424 -9.927 0.197 1.00 0.00 O ATOM 240 CB LYS A 16 -4.320 -11.078 1.304 1.00 0.00 C ATOM 241 CG LYS A 16 -4.963 -12.430 1.642 1.00 0.00 C ATOM 242 CD LYS A 16 -4.283 -13.544 0.844 1.00 0.00 C ATOM 243 CE LYS A 16 -4.942 -14.897 1.123 1.00 0.00 C ATOM 244 NZ LYS A 16 -3.936 -15.961 1.336 1.00 0.00 N ATOM 0 H LYS A 16 -4.541 -8.471 -0.315 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.501 -11.187 -0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.297 -11.223 0.956 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.268 -10.452 2.195 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.873 -12.629 2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.028 -12.404 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.340 -13.320 -0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.226 -13.590 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.579 -14.817 2.004 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.587 -15.167 0.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.419 -16.863 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.344 -16.054 0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.337 -15.715 2.150 1.00 0.00 H new ATOM 258 N LEU A 17 -6.248 -8.796 1.749 1.00 0.00 N ATOM 259 CA LEU A 17 -7.409 -8.198 2.422 1.00 0.00 C ATOM 260 C LEU A 17 -8.375 -7.553 1.407 1.00 0.00 C ATOM 261 O LEU A 17 -9.595 -7.646 1.522 1.00 0.00 O ATOM 262 CB LEU A 17 -6.949 -7.239 3.551 1.00 0.00 C ATOM 263 CG LEU A 17 -7.547 -7.569 4.932 1.00 0.00 C ATOM 264 CD1 LEU A 17 -9.078 -7.653 4.926 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.967 -8.872 5.489 1.00 0.00 C ATOM 0 H LEU A 17 -5.350 -8.463 2.099 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.985 -8.985 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.862 -7.270 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.223 -6.219 3.282 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.268 -6.736 5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.433 -7.888 5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.494 -6.697 4.609 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.397 -8.434 4.236 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.408 -9.079 6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.193 -9.692 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.886 -8.774 5.593 1.00 0.00 H new ATOM 277 N LYS A 18 -7.802 -7.052 0.309 1.00 0.00 N ATOM 278 CA LYS A 18 -8.451 -6.574 -0.911 1.00 0.00 C ATOM 279 C LYS A 18 -9.519 -7.524 -1.446 1.00 0.00 C ATOM 280 O LYS A 18 -10.629 -7.119 -1.751 1.00 0.00 O ATOM 281 CB LYS A 18 -7.390 -6.287 -1.990 1.00 0.00 C ATOM 282 CG LYS A 18 -6.464 -7.479 -2.287 1.00 0.00 C ATOM 283 CD LYS A 18 -6.726 -8.054 -3.664 1.00 0.00 C ATOM 284 CE LYS A 18 -6.169 -9.460 -3.812 1.00 0.00 C ATOM 285 NZ LYS A 18 -6.252 -9.949 -5.208 1.00 0.00 N ATOM 0 H LYS A 18 -6.788 -6.964 0.248 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.973 -5.654 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.893 -5.992 -2.911 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.784 -5.439 -1.673 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.424 -7.160 -2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.612 -8.253 -1.534 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.800 -8.068 -3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -6.279 -7.406 -4.418 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.129 -9.474 -3.485 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.718 -10.137 -3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -6.190 -10.987 -5.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.157 -9.653 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.467 -9.551 -5.763 1.00 0.00 H new ATOM 299 N ILE A 19 -9.192 -8.797 -1.598 1.00 0.00 N ATOM 300 CA ILE A 19 -10.073 -9.789 -2.183 1.00 0.00 C ATOM 301 C ILE A 19 -11.326 -9.908 -1.313 1.00 0.00 C ATOM 302 O ILE A 19 -12.445 -10.041 -1.812 1.00 0.00 O ATOM 303 CB ILE A 19 -9.230 -11.077 -2.395 1.00 0.00 C ATOM 304 CG1 ILE A 19 -9.046 -11.391 -3.890 1.00 0.00 C ATOM 305 CG2 ILE A 19 -9.702 -12.331 -1.654 1.00 0.00 C ATOM 306 CD1 ILE A 19 -7.865 -12.353 -4.096 1.00 0.00 C ATOM 0 H ILE A 19 -8.289 -9.175 -1.312 1.00 0.00 H new ATOM 0 HA ILE A 19 -10.463 -9.527 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.274 -10.823 -1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -9.958 -11.834 -4.290 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.872 -10.468 -4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.034 -13.161 -1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.695 -12.144 -0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.714 -12.582 -1.971 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.749 -12.564 -5.159 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.952 -11.895 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -8.055 -13.283 -3.560 1.00 0.00 H new ATOM 318 N ARG A 20 -11.140 -9.757 0.000 1.00 0.00 N ATOM 319 CA ARG A 20 -12.213 -9.826 0.969 1.00 0.00 C ATOM 320 C ARG A 20 -13.081 -8.573 0.934 1.00 0.00 C ATOM 321 O ARG A 20 -14.305 -8.708 1.011 1.00 0.00 O ATOM 322 CB ARG A 20 -11.639 -10.125 2.361 1.00 0.00 C ATOM 323 CG ARG A 20 -10.866 -11.456 2.365 1.00 0.00 C ATOM 324 CD ARG A 20 -9.365 -11.394 2.078 1.00 0.00 C ATOM 325 NE ARG A 20 -8.792 -12.738 2.101 1.00 0.00 N ATOM 326 CZ ARG A 20 -8.086 -13.316 3.070 1.00 0.00 C ATOM 327 NH1 ARG A 20 -7.807 -12.692 4.210 1.00 0.00 N ATOM 328 NH2 ARG A 20 -7.644 -14.541 2.857 1.00 0.00 N ATOM 0 H ARG A 20 -10.225 -9.582 0.416 1.00 0.00 H new ATOM 0 HA ARG A 20 -12.879 -10.649 0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.977 -9.315 2.667 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.448 -10.168 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -11.004 -11.924 3.340 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.324 -12.115 1.627 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.192 -10.933 1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.871 -10.767 2.820 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.954 -13.305 1.269 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.137 -11.739 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.263 -13.166 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.847 -15.010 1.974 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.099 -15.019 3.575 1.00 0.00 H new ATOM 342 N SER A 21 -12.501 -7.381 0.808 1.00 0.00 N ATOM 343 CA SER A 21 -13.229 -6.116 0.797 1.00 0.00 C ATOM 344 C SER A 21 -12.417 -5.117 -0.037 1.00 0.00 C ATOM 345 O SER A 21 -11.607 -4.374 0.520 1.00 0.00 O ATOM 346 CB SER A 21 -13.468 -5.691 2.264 1.00 0.00 C ATOM 347 OG SER A 21 -14.069 -4.423 2.450 1.00 0.00 O ATOM 0 H SER A 21 -11.492 -7.266 0.709 1.00 0.00 H new ATOM 0 HA SER A 21 -14.213 -6.183 0.332 1.00 0.00 H new ATOM 0 HB2 SER A 21 -14.096 -6.443 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.510 -5.698 2.785 1.00 0.00 H new ATOM 0 HG SER A 21 -14.178 -4.250 3.408 1.00 0.00 H new ATOM 353 N ALA A 22 -12.598 -5.145 -1.364 1.00 0.00 N ATOM 354 CA ALA A 22 -12.136 -4.192 -2.373 1.00 0.00 C ATOM 355 C ALA A 22 -12.527 -4.685 -3.768 1.00 0.00 C ATOM 356 O ALA A 22 -12.984 -5.819 -3.936 1.00 0.00 O ATOM 357 CB ALA A 22 -10.610 -4.049 -2.379 1.00 0.00 C ATOM 0 H ALA A 22 -13.121 -5.908 -1.795 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.597 -3.235 -2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.315 -3.331 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.274 -3.698 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.155 -5.016 -2.594 1.00 0.00 H new ATOM 363 N LYS A 23 -12.248 -3.856 -4.779 1.00 0.00 N ATOM 364 CA LYS A 23 -12.520 -4.061 -6.198 1.00 0.00 C ATOM 365 C LYS A 23 -11.378 -3.479 -7.008 1.00 0.00 C ATOM 366 O LYS A 23 -10.348 -3.121 -6.435 1.00 0.00 O ATOM 367 CB LYS A 23 -13.885 -3.413 -6.534 1.00 0.00 C ATOM 368 CG LYS A 23 -14.861 -4.142 -7.477 1.00 0.00 C ATOM 369 CD LYS A 23 -15.696 -5.188 -6.722 1.00 0.00 C ATOM 370 CE LYS A 23 -14.779 -6.356 -6.379 1.00 0.00 C ATOM 371 NZ LYS A 23 -15.402 -7.306 -5.446 1.00 0.00 N ATOM 0 H LYS A 23 -11.793 -2.959 -4.610 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.585 -5.120 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -14.407 -3.244 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.683 -2.433 -6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -15.524 -3.416 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -14.302 -4.629 -8.276 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -16.120 -4.756 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -16.531 -5.525 -7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.504 -6.879 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.857 -5.973 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.738 -8.081 -5.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.641 -6.816 -4.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -16.268 -7.694 -5.872 1.00 0.00 H new ATOM 385 N ALA A 24 -11.555 -3.433 -8.328 1.00 0.00 N ATOM 386 CA ALA A 24 -10.681 -2.631 -9.168 1.00 0.00 C ATOM 387 C ALA A 24 -10.811 -1.164 -8.759 1.00 0.00 C ATOM 388 O ALA A 24 -9.824 -0.450 -8.695 1.00 0.00 O ATOM 389 CB ALA A 24 -11.052 -2.784 -10.644 1.00 0.00 C ATOM 0 H ALA A 24 -12.287 -3.936 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 24 -9.654 -2.971 -9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.384 -2.174 -11.252 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.956 -3.830 -10.937 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.081 -2.457 -10.796 1.00 0.00 H new ATOM 395 N GLU A 25 -12.022 -0.718 -8.423 1.00 0.00 N ATOM 396 CA GLU A 25 -12.333 0.675 -8.122 1.00 0.00 C ATOM 397 C GLU A 25 -11.982 1.061 -6.696 1.00 0.00 C ATOM 398 O GLU A 25 -12.671 1.843 -6.041 1.00 0.00 O ATOM 399 CB GLU A 25 -13.825 0.878 -8.407 1.00 0.00 C ATOM 400 CG GLU A 25 -14.118 2.177 -9.167 1.00 0.00 C ATOM 401 CD GLU A 25 -15.359 1.999 -10.040 1.00 0.00 C ATOM 402 OE1 GLU A 25 -16.451 1.696 -9.506 1.00 0.00 O ATOM 403 OE2 GLU A 25 -15.232 2.026 -11.288 1.00 0.00 O ATOM 0 H GLU A 25 -12.832 -1.333 -8.352 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.726 1.327 -8.750 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -14.197 0.033 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.372 0.884 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.272 2.994 -8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -13.263 2.447 -9.786 1.00 0.00 H new ATOM 410 N ASP A 26 -10.862 0.537 -6.233 1.00 0.00 N ATOM 411 CA ASP A 26 -10.398 0.709 -4.883 1.00 0.00 C ATOM 412 C ASP A 26 -9.060 1.443 -4.925 1.00 0.00 C ATOM 413 O ASP A 26 -8.441 1.553 -5.992 1.00 0.00 O ATOM 414 CB ASP A 26 -10.308 -0.683 -4.277 1.00 0.00 C ATOM 415 CG ASP A 26 -10.201 -0.715 -2.752 1.00 0.00 C ATOM 416 OD1 ASP A 26 -11.245 -0.643 -2.067 1.00 0.00 O ATOM 417 OD2 ASP A 26 -9.091 -0.988 -2.239 1.00 0.00 O ATOM 0 H ASP A 26 -10.240 -0.033 -6.806 1.00 0.00 H new ATOM 0 HA ASP A 26 -11.064 1.311 -4.266 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.188 -1.252 -4.577 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.441 -1.192 -4.698 1.00 0.00 H new ATOM 422 N LYS A 27 -8.617 2.001 -3.801 1.00 0.00 N ATOM 423 CA LYS A 27 -7.435 2.852 -3.743 1.00 0.00 C ATOM 424 C LYS A 27 -6.671 2.543 -2.461 1.00 0.00 C ATOM 425 O LYS A 27 -7.321 2.293 -1.443 1.00 0.00 O ATOM 426 CB LYS A 27 -7.849 4.333 -3.831 1.00 0.00 C ATOM 427 CG LYS A 27 -8.611 4.745 -5.114 1.00 0.00 C ATOM 428 CD LYS A 27 -10.145 4.651 -5.031 1.00 0.00 C ATOM 429 CE LYS A 27 -10.828 5.284 -6.253 1.00 0.00 C ATOM 430 NZ LYS A 27 -11.201 6.699 -6.039 1.00 0.00 N ATOM 0 H LYS A 27 -9.074 1.873 -2.898 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.777 2.653 -4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.474 4.568 -2.969 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.952 4.947 -3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.340 5.771 -5.363 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.270 4.116 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.440 3.605 -4.952 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.490 5.149 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.160 5.216 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.722 4.712 -6.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -11.657 7.071 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.861 6.767 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.347 7.256 -5.832 1.00 0.00 H new ATOM 444 N ILE A 28 -5.337 2.413 -2.524 1.00 0.00 N ATOM 445 CA ILE A 28 -4.483 1.962 -1.420 1.00 0.00 C ATOM 446 C ILE A 28 -3.052 2.455 -1.650 1.00 0.00 C ATOM 447 O ILE A 28 -2.651 2.698 -2.789 1.00 0.00 O ATOM 448 CB ILE A 28 -4.462 0.411 -1.314 1.00 0.00 C ATOM 449 CG1 ILE A 28 -5.819 -0.294 -1.518 1.00 0.00 C ATOM 450 CG2 ILE A 28 -3.919 0.031 0.084 1.00 0.00 C ATOM 451 CD1 ILE A 28 -5.685 -1.777 -1.790 1.00 0.00 C ATOM 0 H ILE A 28 -4.809 2.626 -3.371 1.00 0.00 H new ATOM 0 HA ILE A 28 -4.889 2.370 -0.494 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.830 0.067 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.434 -0.148 -0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.344 0.176 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.895 -1.054 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.911 0.429 0.203 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.568 0.451 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.675 -2.213 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.096 -1.929 -2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.188 -2.258 -0.948 1.00 0.00 H new ATOM 463 N VAL A 29 -2.276 2.529 -0.567 1.00 0.00 N ATOM 464 CA VAL A 29 -0.842 2.784 -0.516 1.00 0.00 C ATOM 465 C VAL A 29 -0.257 2.001 0.673 1.00 0.00 C ATOM 466 O VAL A 29 -0.970 1.776 1.647 1.00 0.00 O ATOM 467 CB VAL A 29 -0.608 4.299 -0.371 1.00 0.00 C ATOM 468 CG1 VAL A 29 0.866 4.674 -0.125 1.00 0.00 C ATOM 469 CG2 VAL A 29 -1.076 5.045 -1.627 1.00 0.00 C ATOM 0 H VAL A 29 -2.667 2.402 0.366 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.346 2.454 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.188 4.594 0.503 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.956 5.756 -0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.213 4.202 0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.474 4.330 -0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.901 6.114 -1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.520 4.685 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.140 4.867 -1.780 1.00 0.00 H new ATOM 479 N LEU A 30 1.031 1.627 0.613 1.00 0.00 N ATOM 480 CA LEU A 30 1.777 0.919 1.672 1.00 0.00 C ATOM 481 C LEU A 30 2.783 1.873 2.295 1.00 0.00 C ATOM 482 O LEU A 30 3.393 2.657 1.568 1.00 0.00 O ATOM 483 CB LEU A 30 2.567 -0.318 1.154 1.00 0.00 C ATOM 484 CG LEU A 30 2.326 -0.860 -0.264 1.00 0.00 C ATOM 485 CD1 LEU A 30 3.317 -1.989 -0.562 1.00 0.00 C ATOM 486 CD2 LEU A 30 0.919 -1.392 -0.524 1.00 0.00 C ATOM 0 H LEU A 30 1.607 1.816 -0.207 1.00 0.00 H new ATOM 0 HA LEU A 30 1.034 0.569 2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.627 -0.078 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.375 -1.136 1.848 1.00 0.00 H new ATOM 0 HG LEU A 30 2.464 0.001 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.142 -2.370 -1.568 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.336 -1.608 -0.490 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.179 -2.794 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.850 -1.751 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.708 -2.212 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.194 -0.593 -0.369 1.00 0.00 H new ATOM 498 N ILE A 31 3.033 1.750 3.602 1.00 0.00 N ATOM 499 CA ILE A 31 4.001 2.568 4.320 1.00 0.00 C ATOM 500 C ILE A 31 4.938 1.666 5.119 1.00 0.00 C ATOM 501 O ILE A 31 4.860 0.444 5.038 1.00 0.00 O ATOM 502 CB ILE A 31 3.312 3.708 5.110 1.00 0.00 C ATOM 503 CG1 ILE A 31 2.945 3.331 6.555 1.00 0.00 C ATOM 504 CG2 ILE A 31 2.080 4.306 4.391 1.00 0.00 C ATOM 505 CD1 ILE A 31 2.841 4.570 7.441 1.00 0.00 C ATOM 0 H ILE A 31 2.559 1.068 4.195 1.00 0.00 H new ATOM 0 HA ILE A 31 4.642 3.106 3.621 1.00 0.00 H new ATOM 0 HB ILE A 31 4.079 4.481 5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 31 1.996 2.794 6.564 1.00 0.00 H new ATOM 0 HG13 ILE A 31 3.698 2.654 6.959 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.650 5.098 5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.384 4.717 3.428 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.336 3.525 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 31 2.580 4.271 8.456 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.798 5.092 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.070 5.234 7.049 1.00 0.00 H new ATOM 517 N GLN A 32 5.826 2.287 5.886 1.00 0.00 N ATOM 518 CA GLN A 32 6.761 1.752 6.862 1.00 0.00 C ATOM 519 C GLN A 32 7.162 0.302 6.606 1.00 0.00 C ATOM 520 O GLN A 32 8.033 0.070 5.773 1.00 0.00 O ATOM 521 CB GLN A 32 6.335 2.021 8.309 1.00 0.00 C ATOM 522 CG GLN A 32 5.999 3.507 8.545 1.00 0.00 C ATOM 523 CD GLN A 32 6.954 4.211 9.503 1.00 0.00 C ATOM 524 OE1 GLN A 32 6.869 4.062 10.723 1.00 0.00 O ATOM 525 NE2 GLN A 32 7.861 5.007 8.974 1.00 0.00 N ATOM 0 H GLN A 32 5.916 3.301 5.829 1.00 0.00 H new ATOM 0 HA GLN A 32 7.680 2.319 6.715 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.465 1.410 8.551 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.135 1.718 8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.010 4.028 7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.985 3.582 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.915 5.117 7.961 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.509 5.513 9.577 1.00 0.00 H new ATOM 534 N ASN A 33 6.549 -0.665 7.301 1.00 0.00 N ATOM 535 CA ASN A 33 6.800 -2.097 7.103 1.00 0.00 C ATOM 536 C ASN A 33 5.770 -2.719 6.177 1.00 0.00 C ATOM 537 O ASN A 33 6.043 -3.753 5.576 1.00 0.00 O ATOM 538 CB ASN A 33 6.797 -2.866 8.432 1.00 0.00 C ATOM 539 CG ASN A 33 7.674 -2.208 9.487 1.00 0.00 C ATOM 540 OD1 ASN A 33 8.899 -2.187 9.369 1.00 0.00 O ATOM 541 ND2 ASN A 33 7.088 -1.594 10.501 1.00 0.00 N ATOM 0 H ASN A 33 5.857 -0.472 8.025 1.00 0.00 H new ATOM 0 HA ASN A 33 7.788 -2.173 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.775 -2.936 8.805 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.144 -3.885 8.259 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.652 -1.099 11.192 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.072 -1.616 10.592 1.00 0.00 H new ATOM 548 N GLY A 34 4.604 -2.083 6.034 1.00 0.00 N ATOM 549 CA GLY A 34 3.600 -2.358 5.019 1.00 0.00 C ATOM 550 C GLY A 34 4.162 -2.519 3.617 1.00 0.00 C ATOM 551 O GLY A 34 3.547 -3.182 2.792 1.00 0.00 O ATOM 0 H GLY A 34 4.327 -1.325 6.658 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.064 -3.268 5.291 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.871 -1.548 5.016 1.00 0.00 H new ATOM 555 N VAL A 35 5.341 -1.968 3.338 1.00 0.00 N ATOM 556 CA VAL A 35 6.053 -2.146 2.090 1.00 0.00 C ATOM 557 C VAL A 35 6.185 -3.623 1.685 1.00 0.00 C ATOM 558 O VAL A 35 6.217 -3.904 0.486 1.00 0.00 O ATOM 559 CB VAL A 35 7.408 -1.439 2.199 1.00 0.00 C ATOM 560 CG1 VAL A 35 7.235 0.089 2.287 1.00 0.00 C ATOM 561 CG2 VAL A 35 8.281 -1.942 3.354 1.00 0.00 C ATOM 0 H VAL A 35 5.836 -1.369 3.999 1.00 0.00 H new ATOM 0 HA VAL A 35 5.477 -1.693 1.283 1.00 0.00 H new ATOM 0 HB VAL A 35 7.938 -1.690 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.214 0.562 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.726 0.450 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.642 0.338 3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.223 -1.393 3.364 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.760 -1.786 4.299 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.482 -3.005 3.222 1.00 0.00 H new ATOM 571 N PHE A 36 6.139 -4.560 2.647 1.00 0.00 N ATOM 572 CA PHE A 36 6.103 -5.993 2.389 1.00 0.00 C ATOM 573 C PHE A 36 5.009 -6.387 1.384 1.00 0.00 C ATOM 574 O PHE A 36 5.187 -7.338 0.639 1.00 0.00 O ATOM 575 CB PHE A 36 5.863 -6.746 3.707 1.00 0.00 C ATOM 576 CG PHE A 36 7.046 -6.982 4.638 1.00 0.00 C ATOM 577 CD1 PHE A 36 8.134 -6.088 4.734 1.00 0.00 C ATOM 578 CD2 PHE A 36 7.042 -8.142 5.437 1.00 0.00 C ATOM 579 CE1 PHE A 36 9.198 -6.368 5.610 1.00 0.00 C ATOM 580 CE2 PHE A 36 8.105 -8.416 6.314 1.00 0.00 C ATOM 581 CZ PHE A 36 9.182 -7.523 6.408 1.00 0.00 C ATOM 0 H PHE A 36 6.126 -4.329 3.640 1.00 0.00 H new ATOM 0 HA PHE A 36 7.065 -6.264 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 36 5.105 -6.199 4.267 1.00 0.00 H new ATOM 0 HB3 PHE A 36 5.437 -7.718 3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 36 8.149 -5.189 4.135 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.211 -8.829 5.375 1.00 0.00 H new ATOM 0 HE1 PHE A 36 10.035 -5.688 5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.093 -9.313 6.915 1.00 0.00 H new ATOM 0 HZ PHE A 36 9.995 -7.723 7.091 1.00 0.00 H new ATOM 591 N TRP A 37 3.884 -5.675 1.323 1.00 0.00 N ATOM 592 CA TRP A 37 2.804 -6.014 0.402 1.00 0.00 C ATOM 593 C TRP A 37 3.200 -5.892 -1.071 1.00 0.00 C ATOM 594 O TRP A 37 2.518 -6.482 -1.904 1.00 0.00 O ATOM 595 CB TRP A 37 1.552 -5.183 0.680 1.00 0.00 C ATOM 596 CG TRP A 37 0.787 -5.531 1.909 1.00 0.00 C ATOM 597 CD1 TRP A 37 0.822 -4.835 3.059 1.00 0.00 C ATOM 598 CD2 TRP A 37 -0.199 -6.586 2.103 1.00 0.00 C ATOM 599 NE1 TRP A 37 -0.010 -5.436 3.974 1.00 0.00 N ATOM 600 CE2 TRP A 37 -0.694 -6.509 3.435 1.00 0.00 C ATOM 601 CE3 TRP A 37 -0.740 -7.588 1.278 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -1.668 -7.399 3.924 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -1.758 -8.446 1.735 1.00 0.00 C ATOM 604 CH2 TRP A 37 -2.238 -8.346 3.054 1.00 0.00 C ATOM 0 H TRP A 37 3.698 -4.857 1.904 1.00 0.00 H new ATOM 0 HA TRP A 37 2.583 -7.065 0.586 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.845 -4.135 0.745 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.884 -5.275 -0.176 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.410 -3.946 3.236 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.111 -5.125 4.940 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.366 -7.702 0.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -1.975 -7.355 4.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.174 -9.187 1.068 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.036 -8.990 3.395 1.00 0.00 H new ATOM 615 N ALA A 38 4.277 -5.175 -1.416 1.00 0.00 N ATOM 616 CA ALA A 38 4.782 -5.088 -2.784 1.00 0.00 C ATOM 617 C ALA A 38 5.797 -6.180 -3.064 1.00 0.00 C ATOM 618 O ALA A 38 6.780 -5.907 -3.753 1.00 0.00 O ATOM 619 CB ALA A 38 5.351 -3.694 -3.048 1.00 0.00 C ATOM 0 H ALA A 38 4.824 -4.636 -0.745 1.00 0.00 H new ATOM 0 HA ALA A 38 3.953 -5.246 -3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.724 -3.641 -4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.568 -2.949 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.167 -3.497 -2.353 1.00 0.00 H new ATOM 625 N LEU A 39 5.555 -7.399 -2.562 1.00 0.00 N ATOM 626 CA LEU A 39 6.402 -8.571 -2.769 1.00 0.00 C ATOM 627 C LEU A 39 5.767 -9.850 -2.202 1.00 0.00 C ATOM 628 O LEU A 39 6.452 -10.767 -1.739 1.00 0.00 O ATOM 629 CB LEU A 39 7.838 -8.287 -2.305 1.00 0.00 C ATOM 630 CG LEU A 39 8.024 -7.521 -0.979 1.00 0.00 C ATOM 631 CD1 LEU A 39 8.035 -8.450 0.239 1.00 0.00 C ATOM 632 CD2 LEU A 39 9.303 -6.699 -1.108 1.00 0.00 C ATOM 0 H LEU A 39 4.738 -7.597 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 39 6.478 -8.774 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.357 -9.241 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.339 -7.723 -3.092 1.00 0.00 H new ATOM 0 HG LEU A 39 7.175 -6.860 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.169 -7.860 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.090 -8.990 0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.855 -9.162 0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.471 -6.140 -0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.147 -7.365 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.206 -6.004 -1.942 1.00 0.00 H new ATOM 644 N GLU A 40 4.449 -9.970 -2.364 1.00 0.00 N ATOM 645 CA GLU A 40 3.628 -11.087 -1.910 1.00 0.00 C ATOM 646 C GLU A 40 3.264 -11.962 -3.126 1.00 0.00 C ATOM 647 O GLU A 40 3.910 -11.884 -4.183 1.00 0.00 O ATOM 648 CB GLU A 40 2.423 -10.529 -1.131 1.00 0.00 C ATOM 649 CG GLU A 40 2.836 -9.789 0.140 1.00 0.00 C ATOM 650 CD GLU A 40 3.066 -10.717 1.339 1.00 0.00 C ATOM 651 OE1 GLU A 40 2.048 -11.144 1.933 1.00 0.00 O ATOM 652 OE2 GLU A 40 4.213 -11.028 1.728 1.00 0.00 O ATOM 0 H GLU A 40 3.900 -9.254 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 40 4.159 -11.740 -1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.861 -9.852 -1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 40 1.754 -11.348 -0.869 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.750 -9.228 -0.056 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.065 -9.063 0.395 1.00 0.00 H new ATOM 659 N GLU A 41 2.295 -12.863 -2.976 1.00 0.00 N ATOM 660 CA GLU A 41 1.987 -13.904 -3.943 1.00 0.00 C ATOM 661 C GLU A 41 0.632 -13.714 -4.623 1.00 0.00 C ATOM 662 O GLU A 41 -0.148 -14.667 -4.748 1.00 0.00 O ATOM 663 CB GLU A 41 2.258 -15.296 -3.352 1.00 0.00 C ATOM 664 CG GLU A 41 1.453 -15.687 -2.105 1.00 0.00 C ATOM 665 CD GLU A 41 1.892 -14.976 -0.826 1.00 0.00 C ATOM 666 OE1 GLU A 41 2.744 -15.501 -0.076 1.00 0.00 O ATOM 667 OE2 GLU A 41 1.294 -13.926 -0.492 1.00 0.00 O ATOM 0 H GLU A 41 1.689 -12.886 -2.156 1.00 0.00 H new ATOM 0 HA GLU A 41 2.678 -13.813 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.065 -16.038 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.318 -15.360 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.400 -15.471 -2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.536 -16.763 -1.956 1.00 0.00 H new ATOM 674 N LEU A 42 0.369 -12.493 -5.097 1.00 0.00 N ATOM 675 CA LEU A 42 -0.916 -12.006 -5.594 1.00 0.00 C ATOM 676 C LEU A 42 -0.751 -10.664 -6.349 1.00 0.00 C ATOM 677 O LEU A 42 0.302 -10.391 -6.930 1.00 0.00 O ATOM 678 CB LEU A 42 -1.872 -11.929 -4.377 1.00 0.00 C ATOM 679 CG LEU A 42 -2.982 -13.004 -4.425 1.00 0.00 C ATOM 680 CD1 LEU A 42 -2.985 -13.898 -3.185 1.00 0.00 C ATOM 681 CD2 LEU A 42 -4.367 -12.371 -4.568 1.00 0.00 C ATOM 0 H LEU A 42 1.093 -11.776 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.344 -12.682 -6.334 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.296 -12.047 -3.459 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.330 -10.940 -4.341 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.761 -13.616 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.783 -14.635 -3.270 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.026 -14.410 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.148 -13.288 -2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.124 -13.155 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.557 -11.716 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.408 -11.791 -5.490 1.00 0.00 H new ATOM 693 N GLU A 43 -1.828 -9.870 -6.414 1.00 0.00 N ATOM 694 CA GLU A 43 -1.922 -8.475 -6.850 1.00 0.00 C ATOM 695 C GLU A 43 -3.244 -7.915 -6.289 1.00 0.00 C ATOM 696 O GLU A 43 -3.999 -8.660 -5.660 1.00 0.00 O ATOM 697 CB GLU A 43 -1.893 -8.361 -8.379 1.00 0.00 C ATOM 698 CG GLU A 43 -3.010 -9.118 -9.103 1.00 0.00 C ATOM 699 CD GLU A 43 -3.132 -8.650 -10.552 1.00 0.00 C ATOM 700 OE1 GLU A 43 -2.119 -8.660 -11.290 1.00 0.00 O ATOM 701 OE2 GLU A 43 -4.250 -8.251 -10.947 1.00 0.00 O ATOM 0 H GLU A 43 -2.743 -10.225 -6.135 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.068 -7.907 -6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.952 -7.307 -8.651 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.932 -8.730 -8.738 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.806 -10.188 -9.078 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.956 -8.962 -8.585 1.00 0.00 H new ATOM 708 N THR A 44 -3.597 -6.665 -6.579 1.00 0.00 N ATOM 709 CA THR A 44 -4.957 -6.107 -6.535 1.00 0.00 C ATOM 710 C THR A 44 -5.238 -5.422 -7.869 1.00 0.00 C ATOM 711 O THR A 44 -4.324 -4.838 -8.453 1.00 0.00 O ATOM 712 CB THR A 44 -5.212 -5.194 -5.333 1.00 0.00 C ATOM 713 OG1 THR A 44 -6.584 -4.887 -5.193 1.00 0.00 O ATOM 714 CG2 THR A 44 -4.421 -3.941 -5.445 1.00 0.00 C ATOM 0 H THR A 44 -2.907 -5.971 -6.868 1.00 0.00 H new ATOM 0 HA THR A 44 -5.662 -6.925 -6.389 1.00 0.00 H new ATOM 0 HB THR A 44 -4.894 -5.737 -4.443 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.711 -4.304 -4.415 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.618 -3.308 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.359 -4.183 -5.483 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.705 -3.412 -6.354 1.00 0.00 H new ATOM 722 N PRO A 45 -6.497 -5.415 -8.337 1.00 0.00 N ATOM 723 CA PRO A 45 -6.873 -4.595 -9.470 1.00 0.00 C ATOM 724 C PRO A 45 -7.020 -3.093 -9.130 1.00 0.00 C ATOM 725 O PRO A 45 -7.284 -2.292 -10.029 1.00 0.00 O ATOM 726 CB PRO A 45 -8.154 -5.238 -9.977 1.00 0.00 C ATOM 727 CG PRO A 45 -8.779 -5.992 -8.811 1.00 0.00 C ATOM 728 CD PRO A 45 -7.636 -6.178 -7.829 1.00 0.00 C ATOM 0 HA PRO A 45 -6.097 -4.574 -10.235 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.840 -4.480 -10.355 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.942 -5.917 -10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.598 -5.428 -8.366 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.189 -6.950 -9.131 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.921 -5.828 -6.837 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.380 -7.233 -7.733 1.00 0.00 H new ATOM 736 N ALA A 46 -6.819 -2.693 -7.870 1.00 0.00 N ATOM 737 CA ALA A 46 -6.888 -1.313 -7.390 1.00 0.00 C ATOM 738 C ALA A 46 -5.620 -0.551 -7.768 1.00 0.00 C ATOM 739 O ALA A 46 -4.662 -1.167 -8.245 1.00 0.00 O ATOM 740 CB ALA A 46 -6.968 -1.389 -5.868 1.00 0.00 C ATOM 0 H ALA A 46 -6.594 -3.353 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.744 -0.800 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.022 -0.381 -5.456 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.858 -1.948 -5.578 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.082 -1.892 -5.482 1.00 0.00 H new ATOM 746 N LYS A 47 -5.559 0.765 -7.514 1.00 0.00 N ATOM 747 CA LYS A 47 -4.290 1.444 -7.622 1.00 0.00 C ATOM 748 C LYS A 47 -3.556 1.119 -6.338 1.00 0.00 C ATOM 749 O LYS A 47 -4.080 1.345 -5.245 1.00 0.00 O ATOM 750 CB LYS A 47 -4.420 2.944 -7.860 1.00 0.00 C ATOM 751 CG LYS A 47 -5.411 3.669 -6.957 1.00 0.00 C ATOM 752 CD LYS A 47 -5.037 5.101 -6.577 1.00 0.00 C ATOM 753 CE LYS A 47 -4.700 6.028 -7.758 1.00 0.00 C ATOM 754 NZ LYS A 47 -5.843 6.787 -8.291 1.00 0.00 N ATOM 0 H LYS A 47 -6.350 1.349 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.741 1.102 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.438 3.401 -7.733 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.715 3.105 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.381 3.686 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.531 3.090 -6.042 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.864 5.539 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.179 5.069 -5.905 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.930 6.732 -7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.273 5.429 -8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.525 7.383 -9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.572 6.126 -8.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.240 7.389 -7.541 1.00 0.00 H new ATOM 768 N VAL A 48 -2.374 0.548 -6.463 1.00 0.00 N ATOM 769 CA VAL A 48 -1.457 0.331 -5.403 1.00 0.00 C ATOM 770 C VAL A 48 -0.223 1.120 -5.745 1.00 0.00 C ATOM 771 O VAL A 48 0.107 1.327 -6.920 1.00 0.00 O ATOM 772 CB VAL A 48 -1.160 -1.158 -5.333 1.00 0.00 C ATOM 773 CG1 VAL A 48 -2.410 -1.876 -4.854 1.00 0.00 C ATOM 774 CG2 VAL A 48 -0.663 -1.794 -6.636 1.00 0.00 C ATOM 0 H VAL A 48 -2.026 0.212 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.843 0.646 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.328 -1.268 -4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.215 -2.947 -4.798 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.687 -1.505 -3.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.226 -1.692 -5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.482 -2.857 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.417 -1.668 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.263 -1.311 -6.947 1.00 0.00 H new ATOM 784 N TYR A 49 0.428 1.534 -4.679 1.00 0.00 N ATOM 785 CA TYR A 49 1.642 2.294 -4.640 1.00 0.00 C ATOM 786 C TYR A 49 2.239 2.013 -3.259 1.00 0.00 C ATOM 787 O TYR A 49 1.511 1.580 -2.364 1.00 0.00 O ATOM 788 CB TYR A 49 1.270 3.767 -4.790 1.00 0.00 C ATOM 789 CG TYR A 49 0.581 4.183 -6.080 1.00 0.00 C ATOM 790 CD1 TYR A 49 1.396 4.397 -7.200 1.00 0.00 C ATOM 791 CD2 TYR A 49 -0.815 4.423 -6.180 1.00 0.00 C ATOM 792 CE1 TYR A 49 0.878 4.932 -8.384 1.00 0.00 C ATOM 793 CE2 TYR A 49 -1.324 4.972 -7.368 1.00 0.00 C ATOM 794 CZ TYR A 49 -0.491 5.240 -8.469 1.00 0.00 C ATOM 795 OH TYR A 49 -1.007 5.810 -9.593 1.00 0.00 O ATOM 0 H TYR A 49 0.085 1.325 -3.741 1.00 0.00 H new ATOM 0 HA TYR A 49 2.352 2.040 -5.427 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.620 4.037 -3.958 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.181 4.357 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.445 4.144 -7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.474 4.187 -5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.527 5.108 -9.229 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.379 5.193 -7.438 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.970 5.952 -9.476 1.00 0.00 H new ATOM 805 N ALA A 50 3.522 2.272 -3.040 1.00 0.00 N ATOM 806 CA ALA A 50 4.142 2.204 -1.716 1.00 0.00 C ATOM 807 C ALA A 50 4.891 3.521 -1.512 1.00 0.00 C ATOM 808 O ALA A 50 5.247 4.186 -2.488 1.00 0.00 O ATOM 809 CB ALA A 50 5.094 1.009 -1.633 1.00 0.00 C ATOM 0 H ALA A 50 4.170 2.538 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 50 3.393 2.066 -0.936 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.547 0.973 -0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.539 0.088 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.876 1.114 -2.385 1.00 0.00 H new ATOM 815 N ILE A 51 5.191 3.867 -0.265 1.00 0.00 N ATOM 816 CA ILE A 51 6.000 5.029 0.058 1.00 0.00 C ATOM 817 C ILE A 51 7.444 4.644 -0.171 1.00 0.00 C ATOM 818 O ILE A 51 7.969 3.746 0.487 1.00 0.00 O ATOM 819 CB ILE A 51 5.726 5.475 1.508 1.00 0.00 C ATOM 820 CG1 ILE A 51 4.302 6.018 1.715 1.00 0.00 C ATOM 821 CG2 ILE A 51 6.748 6.524 1.982 1.00 0.00 C ATOM 822 CD1 ILE A 51 3.830 7.052 0.688 1.00 0.00 C ATOM 0 H ILE A 51 4.876 3.344 0.552 1.00 0.00 H new ATOM 0 HA ILE A 51 5.754 5.883 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 51 5.828 4.573 2.111 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.607 5.178 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.244 6.466 2.707 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.522 6.814 3.008 1.00 0.00 H new ATOM 0 HG22 ILE A 51 7.751 6.101 1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.695 7.401 1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.815 7.367 0.929 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.493 7.917 0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.846 6.609 -0.308 1.00 0.00 H new ATOM 834 N LYS A 52 8.075 5.354 -1.104 1.00 0.00 N ATOM 835 CA LYS A 52 9.452 5.137 -1.479 1.00 0.00 C ATOM 836 C LYS A 52 10.373 5.304 -0.290 1.00 0.00 C ATOM 837 O LYS A 52 11.122 4.386 0.007 1.00 0.00 O ATOM 838 CB LYS A 52 9.787 6.030 -2.683 1.00 0.00 C ATOM 839 CG LYS A 52 11.081 5.533 -3.334 1.00 0.00 C ATOM 840 CD LYS A 52 11.170 5.823 -4.835 1.00 0.00 C ATOM 841 CE LYS A 52 11.764 7.195 -5.146 1.00 0.00 C ATOM 842 NZ LYS A 52 12.447 7.174 -6.461 1.00 0.00 N ATOM 0 H LYS A 52 7.627 6.108 -1.624 1.00 0.00 H new ATOM 0 HA LYS A 52 9.608 4.107 -1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.971 6.008 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.902 7.065 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.930 5.998 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.167 4.458 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.778 5.054 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.173 5.758 -5.271 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.976 7.948 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.471 7.478 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.904 8.093 -6.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.167 6.423 -6.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.750 6.991 -7.211 1.00 0.00 H new ATOM 856 N ASP A 53 10.304 6.424 0.422 1.00 0.00 N ATOM 857 CA ASP A 53 11.235 6.682 1.521 1.00 0.00 C ATOM 858 C ASP A 53 11.147 5.619 2.613 1.00 0.00 C ATOM 859 O ASP A 53 12.177 5.188 3.125 1.00 0.00 O ATOM 860 CB ASP A 53 10.964 8.062 2.091 1.00 0.00 C ATOM 861 CG ASP A 53 12.059 8.585 3.015 1.00 0.00 C ATOM 862 OD1 ASP A 53 13.253 8.263 2.817 1.00 0.00 O ATOM 863 OD2 ASP A 53 11.718 9.490 3.809 1.00 0.00 O ATOM 0 H ASP A 53 9.620 7.164 0.262 1.00 0.00 H new ATOM 0 HA ASP A 53 12.250 6.639 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.834 8.764 1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.023 8.037 2.640 1.00 0.00 H new ATOM 868 N ASP A 54 9.938 5.130 2.914 1.00 0.00 N ATOM 869 CA ASP A 54 9.746 3.993 3.801 1.00 0.00 C ATOM 870 C ASP A 54 10.375 2.729 3.229 1.00 0.00 C ATOM 871 O ASP A 54 11.069 2.034 3.965 1.00 0.00 O ATOM 872 CB ASP A 54 8.257 3.745 4.069 1.00 0.00 C ATOM 873 CG ASP A 54 7.727 4.560 5.243 1.00 0.00 C ATOM 874 OD1 ASP A 54 8.395 4.604 6.294 1.00 0.00 O ATOM 875 OD2 ASP A 54 6.577 5.042 5.178 1.00 0.00 O ATOM 0 H ASP A 54 9.069 5.517 2.545 1.00 0.00 H new ATOM 0 HA ASP A 54 10.241 4.237 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.685 3.990 3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 54 8.099 2.685 4.267 1.00 0.00 H new ATOM 880 N PHE A 55 10.142 2.409 1.951 1.00 0.00 N ATOM 881 CA PHE A 55 10.695 1.231 1.267 1.00 0.00 C ATOM 882 C PHE A 55 12.225 1.236 1.369 1.00 0.00 C ATOM 883 O PHE A 55 12.853 0.246 1.747 1.00 0.00 O ATOM 884 CB PHE A 55 10.216 1.223 -0.205 1.00 0.00 C ATOM 885 CG PHE A 55 9.766 -0.117 -0.759 1.00 0.00 C ATOM 886 CD1 PHE A 55 10.685 -1.064 -1.241 1.00 0.00 C ATOM 887 CD2 PHE A 55 8.395 -0.411 -0.814 1.00 0.00 C ATOM 888 CE1 PHE A 55 10.247 -2.333 -1.664 1.00 0.00 C ATOM 889 CE2 PHE A 55 7.951 -1.676 -1.228 1.00 0.00 C ATOM 890 CZ PHE A 55 8.880 -2.652 -1.626 1.00 0.00 C ATOM 0 H PHE A 55 9.548 2.976 1.346 1.00 0.00 H new ATOM 0 HA PHE A 55 10.339 0.319 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.389 1.927 -0.300 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.027 1.597 -0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.735 -0.816 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.675 0.344 -0.535 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.962 -3.061 -2.018 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.894 -1.900 -1.241 1.00 0.00 H new ATOM 0 HZ PHE A 55 8.545 -3.641 -1.901 1.00 0.00 H new ATOM 900 N LEU A 56 12.827 2.393 1.107 1.00 0.00 N ATOM 901 CA LEU A 56 14.253 2.643 1.178 1.00 0.00 C ATOM 902 C LEU A 56 14.716 2.494 2.620 1.00 0.00 C ATOM 903 O LEU A 56 15.717 1.822 2.877 1.00 0.00 O ATOM 904 CB LEU A 56 14.546 4.049 0.625 1.00 0.00 C ATOM 905 CG LEU A 56 14.177 4.233 -0.864 1.00 0.00 C ATOM 906 CD1 LEU A 56 14.227 5.730 -1.207 1.00 0.00 C ATOM 907 CD2 LEU A 56 15.177 3.519 -1.782 1.00 0.00 C ATOM 0 H LEU A 56 12.301 3.220 0.825 1.00 0.00 H new ATOM 0 HA LEU A 56 14.802 1.921 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.997 4.782 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.607 4.264 0.754 1.00 0.00 H new ATOM 0 HG LEU A 56 13.183 3.813 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 56 13.968 5.872 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 56 13.516 6.270 -0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.232 6.111 -1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 56 14.887 3.669 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 56 16.175 3.927 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU A 56 15.181 2.453 -1.557 1.00 0.00 H new ATOM 919 N ALA A 57 13.967 3.045 3.579 1.00 0.00 N ATOM 920 CA ALA A 57 14.250 2.901 4.999 1.00 0.00 C ATOM 921 C ALA A 57 14.004 1.469 5.486 1.00 0.00 C ATOM 922 O ALA A 57 14.286 1.143 6.641 1.00 0.00 O ATOM 923 CB ALA A 57 13.415 3.884 5.826 1.00 0.00 C ATOM 0 H ALA A 57 13.140 3.608 3.383 1.00 0.00 H new ATOM 0 HA ALA A 57 15.307 3.129 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.645 3.756 6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.650 4.905 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.355 3.691 5.659 1.00 0.00 H new ATOM 929 N ARG A 58 13.495 0.581 4.627 1.00 0.00 N ATOM 930 CA ARG A 58 13.314 -0.825 4.960 1.00 0.00 C ATOM 931 C ARG A 58 14.336 -1.654 4.194 1.00 0.00 C ATOM 932 O ARG A 58 14.085 -2.827 3.934 1.00 0.00 O ATOM 933 CB ARG A 58 11.861 -1.184 4.576 1.00 0.00 C ATOM 934 CG ARG A 58 11.001 -1.685 5.734 1.00 0.00 C ATOM 935 CD ARG A 58 10.952 -3.206 5.857 1.00 0.00 C ATOM 936 NE ARG A 58 12.053 -3.769 6.658 1.00 0.00 N ATOM 937 CZ ARG A 58 12.812 -4.830 6.347 1.00 0.00 C ATOM 938 NH1 ARG A 58 13.096 -5.151 5.089 1.00 0.00 N ATOM 939 NH2 ARG A 58 13.279 -5.589 7.322 1.00 0.00 N ATOM 0 H ARG A 58 13.198 0.822 3.681 1.00 0.00 H new ATOM 0 HA ARG A 58 13.471 -1.029 6.019 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.386 -0.304 4.143 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.883 -1.949 3.800 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.384 -1.267 6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.986 -1.308 5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.002 -3.495 6.306 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.979 -3.644 4.859 1.00 0.00 H new ATOM 0 HE ARG A 58 12.260 -3.303 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.733 -4.583 4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.677 -5.965 4.889 1.00 0.00 H new ATOM 0 HH21 ARG A 58 13.061 -5.364 8.293 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.858 -6.400 7.104 1.00 0.00 H new ATOM 953 N GLY A 59 15.552 -1.133 4.013 1.00 0.00 N ATOM 954 CA GLY A 59 16.667 -1.827 3.384 1.00 0.00 C ATOM 955 C GLY A 59 16.292 -2.554 2.088 1.00 0.00 C ATOM 956 O GLY A 59 16.838 -3.634 1.853 1.00 0.00 O ATOM 0 H GLY A 59 15.790 -0.187 4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.457 -1.107 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 59 17.077 -2.550 4.089 1.00 0.00 H new ATOM 960 N TYR A 60 15.375 -2.004 1.282 1.00 0.00 N ATOM 961 CA TYR A 60 14.991 -2.497 -0.038 1.00 0.00 C ATOM 962 C TYR A 60 15.472 -1.496 -1.098 1.00 0.00 C ATOM 963 O TYR A 60 15.859 -0.364 -0.783 1.00 0.00 O ATOM 964 CB TYR A 60 13.459 -2.681 -0.115 1.00 0.00 C ATOM 965 CG TYR A 60 12.906 -4.008 0.374 1.00 0.00 C ATOM 966 CD1 TYR A 60 12.821 -5.090 -0.515 1.00 0.00 C ATOM 967 CD2 TYR A 60 12.398 -4.155 1.675 1.00 0.00 C ATOM 968 CE1 TYR A 60 12.350 -6.342 -0.087 1.00 0.00 C ATOM 969 CE2 TYR A 60 11.861 -5.387 2.100 1.00 0.00 C ATOM 970 CZ TYR A 60 11.854 -6.497 1.226 1.00 0.00 C ATOM 971 OH TYR A 60 11.313 -7.679 1.633 1.00 0.00 O ATOM 0 H TYR A 60 14.860 -1.165 1.549 1.00 0.00 H new ATOM 0 HA TYR A 60 15.454 -3.467 -0.220 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.991 -1.884 0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.152 -2.546 -1.152 1.00 0.00 H new ATOM 0 HD1 TYR A 60 13.122 -4.958 -1.544 1.00 0.00 H new ATOM 0 HD2 TYR A 60 12.419 -3.317 2.356 1.00 0.00 H new ATOM 0 HE1 TYR A 60 12.367 -7.185 -0.761 1.00 0.00 H new ATOM 0 HE2 TYR A 60 11.454 -5.483 3.096 1.00 0.00 H new ATOM 0 HH TYR A 60 11.025 -7.603 2.567 1.00 0.00 H new ATOM 981 N SER A 61 15.403 -1.886 -2.372 1.00 0.00 N ATOM 982 CA SER A 61 15.692 -1.038 -3.522 1.00 0.00 C ATOM 983 C SER A 61 14.410 -0.950 -4.357 1.00 0.00 C ATOM 984 O SER A 61 13.360 -1.421 -3.907 1.00 0.00 O ATOM 985 CB SER A 61 16.947 -1.591 -4.208 1.00 0.00 C ATOM 986 OG SER A 61 17.319 -0.886 -5.374 1.00 0.00 O ATOM 0 H SER A 61 15.135 -2.834 -2.637 1.00 0.00 H new ATOM 0 HA SER A 61 15.945 -0.005 -3.285 1.00 0.00 H new ATOM 0 HB2 SER A 61 17.776 -1.567 -3.501 1.00 0.00 H new ATOM 0 HB3 SER A 61 16.778 -2.636 -4.466 1.00 0.00 H new ATOM 0 HG SER A 61 18.125 -1.290 -5.757 1.00 0.00 H new ATOM 992 N GLU A 62 14.434 -0.218 -5.470 1.00 0.00 N ATOM 993 CA GLU A 62 13.197 0.161 -6.138 1.00 0.00 C ATOM 994 C GLU A 62 12.634 -0.981 -6.972 1.00 0.00 C ATOM 995 O GLU A 62 11.434 -1.240 -6.929 1.00 0.00 O ATOM 996 CB GLU A 62 13.382 1.399 -7.022 1.00 0.00 C ATOM 997 CG GLU A 62 13.598 2.668 -6.187 1.00 0.00 C ATOM 998 CD GLU A 62 13.457 3.947 -7.020 1.00 0.00 C ATOM 999 OE1 GLU A 62 12.650 4.011 -7.975 1.00 0.00 O ATOM 1000 OE2 GLU A 62 14.152 4.943 -6.710 1.00 0.00 O ATOM 0 H GLU A 62 15.285 0.119 -5.920 1.00 0.00 H new ATOM 0 HA GLU A 62 12.485 0.401 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 62 14.236 1.249 -7.683 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.505 1.527 -7.657 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.877 2.689 -5.370 1.00 0.00 H new ATOM 0 HG3 GLU A 62 14.590 2.639 -5.736 1.00 0.00 H new ATOM 1007 N GLU A 63 13.491 -1.683 -7.713 1.00 0.00 N ATOM 1008 CA GLU A 63 13.068 -2.777 -8.575 1.00 0.00 C ATOM 1009 C GLU A 63 12.630 -3.978 -7.727 1.00 0.00 C ATOM 1010 O GLU A 63 11.907 -4.859 -8.197 1.00 0.00 O ATOM 1011 CB GLU A 63 14.188 -3.118 -9.556 1.00 0.00 C ATOM 1012 CG GLU A 63 14.342 -2.039 -10.641 1.00 0.00 C ATOM 1013 CD GLU A 63 15.389 -2.389 -11.701 1.00 0.00 C ATOM 1014 OE1 GLU A 63 15.230 -3.438 -12.366 1.00 0.00 O ATOM 1015 OE2 GLU A 63 16.331 -1.579 -11.890 1.00 0.00 O ATOM 0 H GLU A 63 14.496 -1.507 -7.730 1.00 0.00 H new ATOM 0 HA GLU A 63 12.202 -2.478 -9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 63 15.127 -3.225 -9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.980 -4.079 -10.026 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.379 -1.884 -11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.615 -1.095 -10.169 1.00 0.00 H new ATOM 1022 N ASP A 64 13.024 -3.997 -6.455 1.00 0.00 N ATOM 1023 CA ASP A 64 12.603 -4.954 -5.451 1.00 0.00 C ATOM 1024 C ASP A 64 11.166 -4.696 -4.987 1.00 0.00 C ATOM 1025 O ASP A 64 10.663 -5.490 -4.194 1.00 0.00 O ATOM 1026 CB ASP A 64 13.531 -4.928 -4.234 1.00 0.00 C ATOM 1027 CG ASP A 64 14.846 -5.680 -4.375 1.00 0.00 C ATOM 1028 OD1 ASP A 64 15.579 -5.514 -5.376 1.00 0.00 O ATOM 1029 OD2 ASP A 64 15.184 -6.413 -3.417 1.00 0.00 O ATOM 0 H ASP A 64 13.679 -3.308 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 64 12.651 -5.936 -5.922 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.755 -3.888 -3.996 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.990 -5.340 -3.382 1.00 0.00 H new ATOM 1034 N SER A 65 10.512 -3.607 -5.414 1.00 0.00 N ATOM 1035 CA SER A 65 9.105 -3.388 -5.152 1.00 0.00 C ATOM 1036 C SER A 65 8.305 -3.724 -6.404 1.00 0.00 C ATOM 1037 O SER A 65 8.559 -3.153 -7.473 1.00 0.00 O ATOM 1038 CB SER A 65 8.866 -1.920 -4.790 1.00 0.00 C ATOM 1039 OG SER A 65 7.587 -1.774 -4.214 1.00 0.00 O ATOM 0 H SER A 65 10.954 -2.860 -5.950 1.00 0.00 H new ATOM 0 HA SER A 65 8.791 -4.023 -4.323 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.631 -1.578 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.947 -1.298 -5.681 1.00 0.00 H new ATOM 0 HG SER A 65 7.621 -2.040 -3.271 1.00 0.00 H new ATOM 1045 N LYS A 66 7.284 -4.582 -6.289 1.00 0.00 N ATOM 1046 CA LYS A 66 6.398 -4.811 -7.432 1.00 0.00 C ATOM 1047 C LYS A 66 5.212 -3.853 -7.456 1.00 0.00 C ATOM 1048 O LYS A 66 4.175 -4.192 -8.033 1.00 0.00 O ATOM 1049 CB LYS A 66 5.992 -6.293 -7.473 1.00 0.00 C ATOM 1050 CG LYS A 66 5.216 -6.818 -6.258 1.00 0.00 C ATOM 1051 CD LYS A 66 4.183 -7.902 -6.584 1.00 0.00 C ATOM 1052 CE LYS A 66 4.121 -8.981 -5.491 1.00 0.00 C ATOM 1053 NZ LYS A 66 5.224 -9.961 -5.625 1.00 0.00 N ATOM 0 H LYS A 66 7.057 -5.111 -5.447 1.00 0.00 H new ATOM 0 HA LYS A 66 6.941 -4.588 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.385 -6.457 -8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.895 -6.892 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.926 -7.217 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.707 -5.982 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.200 -7.444 -6.699 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.432 -8.366 -7.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.171 -8.509 -4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.164 -9.500 -5.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.120 -10.702 -4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.192 -10.393 -6.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.136 -9.477 -5.496 1.00 0.00 H new ATOM 1067 N VAL A 67 5.401 -2.595 -7.051 1.00 0.00 N ATOM 1068 CA VAL A 67 4.410 -1.534 -7.213 1.00 0.00 C ATOM 1069 C VAL A 67 5.152 -0.216 -7.410 1.00 0.00 C ATOM 1070 O VAL A 67 6.332 -0.118 -7.072 1.00 0.00 O ATOM 1071 CB VAL A 67 3.412 -1.496 -6.021 1.00 0.00 C ATOM 1072 CG1 VAL A 67 2.848 -2.873 -5.646 1.00 0.00 C ATOM 1073 CG2 VAL A 67 3.994 -0.832 -4.766 1.00 0.00 C ATOM 0 H VAL A 67 6.259 -2.283 -6.596 1.00 0.00 H new ATOM 0 HA VAL A 67 3.795 -1.725 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 67 2.591 -0.882 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.160 -2.768 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.318 -3.294 -6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.665 -3.536 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.247 -0.838 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.876 -1.383 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.272 0.197 -4.995 1.00 0.00 H new ATOM 1083 N PRO A 68 4.480 0.811 -7.947 1.00 0.00 N ATOM 1084 CA PRO A 68 5.090 2.098 -8.154 1.00 0.00 C ATOM 1085 C PRO A 68 5.319 2.786 -6.811 1.00 0.00 C ATOM 1086 O PRO A 68 4.399 3.020 -6.020 1.00 0.00 O ATOM 1087 CB PRO A 68 4.183 2.831 -9.136 1.00 0.00 C ATOM 1088 CG PRO A 68 2.897 2.017 -9.255 1.00 0.00 C ATOM 1089 CD PRO A 68 3.073 0.863 -8.285 1.00 0.00 C ATOM 0 HA PRO A 68 6.088 2.055 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 68 3.969 3.840 -8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.667 2.930 -10.107 1.00 0.00 H new ATOM 0 HG2 PRO A 68 2.024 2.618 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.750 1.658 -10.274 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.466 1.013 -7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.749 -0.075 -8.737 1.00 0.00 H new ATOM 1097 N LEU A 69 6.588 3.053 -6.548 1.00 0.00 N ATOM 1098 CA LEU A 69 7.096 3.738 -5.385 1.00 0.00 C ATOM 1099 C LEU A 69 6.928 5.232 -5.608 1.00 0.00 C ATOM 1100 O LEU A 69 7.573 5.828 -6.473 1.00 0.00 O ATOM 1101 CB LEU A 69 8.565 3.343 -5.171 1.00 0.00 C ATOM 1102 CG LEU A 69 8.819 1.845 -4.966 1.00 0.00 C ATOM 1103 CD1 LEU A 69 10.314 1.613 -4.804 1.00 0.00 C ATOM 1104 CD2 LEU A 69 8.104 1.339 -3.719 1.00 0.00 C ATOM 0 H LEU A 69 7.334 2.776 -7.187 1.00 0.00 H new ATOM 0 HA LEU A 69 6.549 3.460 -4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.143 3.678 -6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.946 3.881 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 69 8.438 1.305 -5.833 1.00 0.00 H new ATOM 0 HD11 LEU A 69 10.503 0.550 -4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.834 1.954 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.677 2.169 -3.939 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.299 0.274 -3.595 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.469 1.879 -2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.031 1.502 -3.824 1.00 0.00 H new ATOM 1116 N ILE A 70 6.029 5.816 -4.830 1.00 0.00 N ATOM 1117 CA ILE A 70 5.641 7.218 -4.873 1.00 0.00 C ATOM 1118 C ILE A 70 6.149 7.928 -3.614 1.00 0.00 C ATOM 1119 O ILE A 70 6.638 7.283 -2.678 1.00 0.00 O ATOM 1120 CB ILE A 70 4.113 7.329 -5.070 1.00 0.00 C ATOM 1121 CG1 ILE A 70 3.311 6.999 -3.793 1.00 0.00 C ATOM 1122 CG2 ILE A 70 3.683 6.521 -6.305 1.00 0.00 C ATOM 1123 CD1 ILE A 70 1.800 7.212 -3.936 1.00 0.00 C ATOM 0 H ILE A 70 5.523 5.296 -4.113 1.00 0.00 H new ATOM 0 HA ILE A 70 6.101 7.721 -5.724 1.00 0.00 H new ATOM 0 HB ILE A 70 3.869 8.373 -5.265 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.497 5.961 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.679 7.617 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.604 6.604 -6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.188 6.911 -7.189 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.952 5.474 -6.166 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.306 6.959 -2.998 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.601 8.255 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.416 6.573 -4.732 1.00 0.00 H new ATOM 1135 N THR A 71 6.045 9.252 -3.574 1.00 0.00 N ATOM 1136 CA THR A 71 6.432 10.005 -2.391 1.00 0.00 C ATOM 1137 C THR A 71 5.329 9.962 -1.321 1.00 0.00 C ATOM 1138 O THR A 71 4.185 9.575 -1.576 1.00 0.00 O ATOM 1139 CB THR A 71 6.681 11.465 -2.781 1.00 0.00 C ATOM 1140 OG1 THR A 71 5.497 12.082 -3.237 1.00 0.00 O ATOM 1141 CG2 THR A 71 7.761 11.619 -3.848 1.00 0.00 C ATOM 0 H THR A 71 5.697 9.822 -4.345 1.00 0.00 H new ATOM 0 HA THR A 71 7.337 9.556 -1.981 1.00 0.00 H new ATOM 0 HB THR A 71 7.029 11.956 -1.872 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.390 12.950 -2.795 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.892 12.675 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 71 8.701 11.210 -3.476 1.00 0.00 H new ATOM 0 HG23 THR A 71 7.462 11.082 -4.748 1.00 0.00 H new ATOM 1149 N TYR A 72 5.616 10.500 -0.133 1.00 0.00 N ATOM 1150 CA TYR A 72 4.587 10.764 0.866 1.00 0.00 C ATOM 1151 C TYR A 72 3.485 11.708 0.377 1.00 0.00 C ATOM 1152 O TYR A 72 2.364 11.557 0.848 1.00 0.00 O ATOM 1153 CB TYR A 72 5.218 11.341 2.136 1.00 0.00 C ATOM 1154 CG TYR A 72 5.885 10.325 3.041 1.00 0.00 C ATOM 1155 CD1 TYR A 72 5.141 9.254 3.567 1.00 0.00 C ATOM 1156 CD2 TYR A 72 7.231 10.483 3.410 1.00 0.00 C ATOM 1157 CE1 TYR A 72 5.717 8.372 4.496 1.00 0.00 C ATOM 1158 CE2 TYR A 72 7.834 9.572 4.296 1.00 0.00 C ATOM 1159 CZ TYR A 72 7.075 8.516 4.854 1.00 0.00 C ATOM 1160 OH TYR A 72 7.663 7.615 5.684 1.00 0.00 O ATOM 0 H TYR A 72 6.558 10.761 0.158 1.00 0.00 H new ATOM 0 HA TYR A 72 4.116 9.803 1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.957 12.089 1.848 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.445 11.859 2.704 1.00 0.00 H new ATOM 0 HD1 TYR A 72 4.118 9.108 3.254 1.00 0.00 H new ATOM 0 HD2 TYR A 72 7.805 11.307 3.012 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.122 7.585 4.936 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.878 9.679 4.551 1.00 0.00 H new ATOM 0 HH TYR A 72 7.010 6.930 5.938 1.00 0.00 H new ATOM 1170 N SER A 73 3.758 12.664 -0.512 1.00 0.00 N ATOM 1171 CA SER A 73 2.775 13.664 -0.926 1.00 0.00 C ATOM 1172 C SER A 73 1.917 13.170 -2.091 1.00 0.00 C ATOM 1173 O SER A 73 0.728 13.487 -2.180 1.00 0.00 O ATOM 1174 CB SER A 73 3.526 14.946 -1.280 1.00 0.00 C ATOM 1175 OG SER A 73 4.558 14.700 -2.222 1.00 0.00 O ATOM 0 H SER A 73 4.666 12.766 -0.965 1.00 0.00 H new ATOM 0 HA SER A 73 2.081 13.857 -0.108 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.828 15.678 -1.686 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.953 15.380 -0.376 1.00 0.00 H new ATOM 0 HG SER A 73 5.019 15.540 -2.429 1.00 0.00 H new ATOM 1181 N GLU A 74 2.499 12.358 -2.973 1.00 0.00 N ATOM 1182 CA GLU A 74 1.793 11.672 -4.051 1.00 0.00 C ATOM 1183 C GLU A 74 0.762 10.711 -3.468 1.00 0.00 C ATOM 1184 O GLU A 74 -0.275 10.478 -4.087 1.00 0.00 O ATOM 1185 CB GLU A 74 2.782 10.919 -4.942 1.00 0.00 C ATOM 1186 CG GLU A 74 3.530 11.870 -5.882 1.00 0.00 C ATOM 1187 CD GLU A 74 4.506 11.112 -6.777 1.00 0.00 C ATOM 1188 OE1 GLU A 74 5.431 10.449 -6.253 1.00 0.00 O ATOM 1189 OE2 GLU A 74 4.330 11.192 -8.015 1.00 0.00 O ATOM 0 H GLU A 74 3.498 12.155 -2.956 1.00 0.00 H new ATOM 0 HA GLU A 74 1.277 12.413 -4.662 1.00 0.00 H new ATOM 0 HB2 GLU A 74 3.499 10.383 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.248 10.172 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 74 2.814 12.412 -6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.072 12.612 -5.296 1.00 0.00 H new ATOM 1196 N PHE A 75 1.018 10.182 -2.268 1.00 0.00 N ATOM 1197 CA PHE A 75 0.020 9.488 -1.476 1.00 0.00 C ATOM 1198 C PHE A 75 -1.083 10.456 -1.060 1.00 0.00 C ATOM 1199 O PHE A 75 -2.220 10.163 -1.385 1.00 0.00 O ATOM 1200 CB PHE A 75 0.705 8.799 -0.291 1.00 0.00 C ATOM 1201 CG PHE A 75 -0.164 8.211 0.808 1.00 0.00 C ATOM 1202 CD1 PHE A 75 -1.368 7.544 0.517 1.00 0.00 C ATOM 1203 CD2 PHE A 75 0.286 8.274 2.142 1.00 0.00 C ATOM 1204 CE1 PHE A 75 -2.083 6.895 1.539 1.00 0.00 C ATOM 1205 CE2 PHE A 75 -0.436 7.636 3.165 1.00 0.00 C ATOM 1206 CZ PHE A 75 -1.607 6.931 2.857 1.00 0.00 C ATOM 0 H PHE A 75 1.934 10.228 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.464 8.708 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.325 7.996 -0.688 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.377 9.523 0.170 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.744 7.530 -0.495 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.190 8.815 2.379 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.998 6.369 1.309 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.089 7.689 4.186 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.145 6.414 3.638 1.00 0.00 H new ATOM 1216 N ILE A 76 -0.796 11.579 -0.386 1.00 0.00 N ATOM 1217 CA ILE A 76 -1.817 12.493 0.156 1.00 0.00 C ATOM 1218 C ILE A 76 -2.868 12.899 -0.879 1.00 0.00 C ATOM 1219 O ILE A 76 -4.045 12.929 -0.522 1.00 0.00 O ATOM 1220 CB ILE A 76 -1.157 13.719 0.833 1.00 0.00 C ATOM 1221 CG1 ILE A 76 -0.271 13.311 2.028 1.00 0.00 C ATOM 1222 CG2 ILE A 76 -2.192 14.742 1.325 1.00 0.00 C ATOM 1223 CD1 ILE A 76 -0.903 12.285 2.980 1.00 0.00 C ATOM 0 H ILE A 76 0.160 11.883 -0.199 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.362 11.942 0.922 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.540 14.178 0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.664 12.902 1.645 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.019 14.206 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.679 15.583 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.780 15.100 0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.852 14.270 2.053 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.206 12.061 3.788 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.823 12.694 3.398 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.129 11.371 2.431 1.00 0.00 H new ATOM 1235 N ASP A 77 -2.476 13.145 -2.132 1.00 0.00 N ATOM 1236 CA ASP A 77 -3.368 13.434 -3.269 1.00 0.00 C ATOM 1237 C ASP A 77 -4.502 12.420 -3.399 1.00 0.00 C ATOM 1238 O ASP A 77 -5.648 12.769 -3.698 1.00 0.00 O ATOM 1239 CB ASP A 77 -2.492 13.447 -4.528 1.00 0.00 C ATOM 1240 CG ASP A 77 -3.203 13.520 -5.889 1.00 0.00 C ATOM 1241 OD1 ASP A 77 -3.989 12.630 -6.281 1.00 0.00 O ATOM 1242 OD2 ASP A 77 -2.807 14.409 -6.679 1.00 0.00 O ATOM 0 H ASP A 77 -1.491 13.150 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.858 14.396 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -1.814 14.298 -4.457 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.876 12.547 -4.518 1.00 0.00 H new ATOM 1247 N LEU A 78 -4.174 11.157 -3.136 1.00 0.00 N ATOM 1248 CA LEU A 78 -5.080 10.040 -3.265 1.00 0.00 C ATOM 1249 C LEU A 78 -6.154 10.056 -2.175 1.00 0.00 C ATOM 1250 O LEU A 78 -7.226 9.497 -2.396 1.00 0.00 O ATOM 1251 CB LEU A 78 -4.289 8.714 -3.227 1.00 0.00 C ATOM 1252 CG LEU A 78 -3.227 8.574 -4.331 1.00 0.00 C ATOM 1253 CD1 LEU A 78 -2.506 7.230 -4.184 1.00 0.00 C ATOM 1254 CD2 LEU A 78 -3.845 8.685 -5.728 1.00 0.00 C ATOM 0 H LEU A 78 -3.243 10.885 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.589 10.127 -4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.800 8.625 -2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.991 7.884 -3.308 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.514 9.391 -4.218 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.754 7.133 -4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.022 7.181 -3.208 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.228 6.418 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.064 8.581 -6.481 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.585 7.896 -5.862 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.327 9.657 -5.837 1.00 0.00 H new ATOM 1266 N LEU A 79 -5.893 10.643 -1.005 1.00 0.00 N ATOM 1267 CA LEU A 79 -6.834 10.697 0.096 1.00 0.00 C ATOM 1268 C LEU A 79 -7.830 11.810 -0.186 1.00 0.00 C ATOM 1269 O LEU A 79 -8.882 11.573 -0.778 1.00 0.00 O ATOM 1270 CB LEU A 79 -6.108 10.855 1.437 1.00 0.00 C ATOM 1271 CG LEU A 79 -5.185 9.682 1.801 1.00 0.00 C ATOM 1272 CD1 LEU A 79 -5.884 8.319 1.741 1.00 0.00 C ATOM 1273 CD2 LEU A 79 -3.914 9.597 0.978 1.00 0.00 C ATOM 0 H LEU A 79 -5.004 11.100 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.383 9.759 0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.518 11.771 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.850 10.976 2.226 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.910 9.910 2.831 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.176 7.535 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.720 8.308 2.440 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.254 8.144 0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.326 8.740 1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.170 9.481 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.332 10.509 1.112 1.00 0.00 H new ATOM 1285 N GLU A 80 -7.489 13.037 0.210 1.00 0.00 N ATOM 1286 CA GLU A 80 -8.198 14.285 -0.076 1.00 0.00 C ATOM 1287 C GLU A 80 -9.714 14.233 0.165 1.00 0.00 C ATOM 1288 O GLU A 80 -10.475 15.015 -0.409 1.00 0.00 O ATOM 1289 CB GLU A 80 -7.792 14.795 -1.480 1.00 0.00 C ATOM 1290 CG GLU A 80 -6.320 15.237 -1.532 1.00 0.00 C ATOM 1291 CD GLU A 80 -6.118 16.621 -0.914 1.00 0.00 C ATOM 1292 OE1 GLU A 80 -6.552 16.857 0.240 1.00 0.00 O ATOM 1293 OE2 GLU A 80 -5.582 17.531 -1.580 1.00 0.00 O ATOM 0 H GLU A 80 -6.656 13.196 0.776 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.879 15.024 0.659 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.959 14.007 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.431 15.632 -1.760 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.704 14.510 -1.003 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.981 15.249 -2.568 1.00 0.00 H new ATOM 1300 N GLY A 81 -10.162 13.367 1.072 1.00 0.00 N ATOM 1301 CA GLY A 81 -11.566 13.131 1.356 1.00 0.00 C ATOM 1302 C GLY A 81 -11.871 11.646 1.534 1.00 0.00 C ATOM 1303 O GLY A 81 -12.865 11.295 2.166 1.00 0.00 O ATOM 0 H GLY A 81 -9.537 12.797 1.642 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.849 13.670 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.173 13.531 0.543 1.00 0.00 H new ATOM 1307 N GLU A 82 -11.020 10.768 1.020 1.00 0.00 N ATOM 1308 CA GLU A 82 -11.270 9.347 0.833 1.00 0.00 C ATOM 1309 C GLU A 82 -10.366 8.630 1.820 1.00 0.00 C ATOM 1310 O GLU A 82 -9.331 8.069 1.480 1.00 0.00 O ATOM 1311 CB GLU A 82 -10.981 8.951 -0.623 1.00 0.00 C ATOM 1312 CG GLU A 82 -11.727 9.794 -1.688 1.00 0.00 C ATOM 1313 CD GLU A 82 -13.232 9.509 -1.751 1.00 0.00 C ATOM 1314 OE1 GLU A 82 -13.908 9.475 -0.703 1.00 0.00 O ATOM 1315 OE2 GLU A 82 -13.793 9.266 -2.845 1.00 0.00 O ATOM 0 H GLU A 82 -10.089 11.043 0.706 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.310 9.078 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.909 9.034 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.247 7.903 -0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.574 10.852 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.287 9.600 -2.666 1.00 0.00 H new ATOM 1322 N GLU A 83 -10.694 8.773 3.096 1.00 0.00 N ATOM 1323 CA GLU A 83 -9.735 8.576 4.171 1.00 0.00 C ATOM 1324 C GLU A 83 -9.976 7.282 4.935 1.00 0.00 C ATOM 1325 O GLU A 83 -10.027 7.242 6.167 1.00 0.00 O ATOM 1326 CB GLU A 83 -9.553 9.852 5.001 1.00 0.00 C ATOM 1327 CG GLU A 83 -10.867 10.511 5.422 1.00 0.00 C ATOM 1328 CD GLU A 83 -11.139 10.528 6.930 1.00 0.00 C ATOM 1329 OE1 GLU A 83 -10.217 10.505 7.774 1.00 0.00 O ATOM 1330 OE2 GLU A 83 -12.343 10.631 7.277 1.00 0.00 O ATOM 0 H GLU A 83 -11.629 9.028 3.414 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.747 8.410 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.975 9.613 5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.967 10.568 4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.872 11.538 5.057 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.689 9.993 4.927 1.00 0.00 H new ATOM 1337 N LYS A 84 -10.174 6.203 4.176 1.00 0.00 N ATOM 1338 CA LYS A 84 -10.394 4.865 4.721 1.00 0.00 C ATOM 1339 C LYS A 84 -9.463 3.848 4.045 1.00 0.00 C ATOM 1340 O LYS A 84 -9.829 2.694 3.829 1.00 0.00 O ATOM 1341 CB LYS A 84 -11.897 4.542 4.617 1.00 0.00 C ATOM 1342 CG LYS A 84 -12.697 4.924 5.876 1.00 0.00 C ATOM 1343 CD LYS A 84 -13.654 6.119 5.726 1.00 0.00 C ATOM 1344 CE LYS A 84 -12.961 7.476 5.879 1.00 0.00 C ATOM 1345 NZ LYS A 84 -13.919 8.597 5.964 1.00 0.00 N ATOM 0 H LYS A 84 -10.186 6.235 3.157 1.00 0.00 H new ATOM 0 HA LYS A 84 -10.132 4.813 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.315 5.067 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.019 3.475 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.276 4.057 6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -11.992 5.146 6.677 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.132 6.072 4.747 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -14.445 6.037 6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.341 7.464 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.294 7.637 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.468 9.404 6.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.209 8.879 5.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.756 8.298 6.505 1.00 0.00 H new ATOM 1359 N PHE A 85 -8.226 4.274 3.789 1.00 0.00 N ATOM 1360 CA PHE A 85 -7.089 3.454 3.362 1.00 0.00 C ATOM 1361 C PHE A 85 -5.792 4.225 3.565 1.00 0.00 C ATOM 1362 O PHE A 85 -4.907 4.288 2.716 1.00 0.00 O ATOM 1363 CB PHE A 85 -7.264 2.958 1.919 1.00 0.00 C ATOM 1364 CG PHE A 85 -7.482 4.072 0.899 1.00 0.00 C ATOM 1365 CD1 PHE A 85 -8.781 4.553 0.651 1.00 0.00 C ATOM 1366 CD2 PHE A 85 -6.397 4.660 0.215 1.00 0.00 C ATOM 1367 CE1 PHE A 85 -8.985 5.614 -0.244 1.00 0.00 C ATOM 1368 CE2 PHE A 85 -6.598 5.729 -0.672 1.00 0.00 C ATOM 1369 CZ PHE A 85 -7.893 6.221 -0.882 1.00 0.00 C ATOM 0 H PHE A 85 -7.975 5.258 3.879 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.043 2.559 3.982 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.381 2.386 1.633 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -8.112 2.275 1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -9.625 4.103 1.152 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.398 4.282 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -9.987 5.965 -0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.759 6.170 -1.190 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.050 7.067 -1.535 1.00 0.00 H new ATOM 1379 N ILE A 86 -5.669 4.810 4.748 1.00 0.00 N ATOM 1380 CA ILE A 86 -4.453 5.499 5.119 1.00 0.00 C ATOM 1381 C ILE A 86 -3.424 4.425 5.533 1.00 0.00 C ATOM 1382 O ILE A 86 -3.761 3.239 5.621 1.00 0.00 O ATOM 1383 CB ILE A 86 -4.756 6.502 6.254 1.00 0.00 C ATOM 1384 CG1 ILE A 86 -6.149 7.176 6.216 1.00 0.00 C ATOM 1385 CG2 ILE A 86 -3.698 7.604 6.222 1.00 0.00 C ATOM 1386 CD1 ILE A 86 -6.513 7.819 4.869 1.00 0.00 C ATOM 0 H ILE A 86 -6.397 4.818 5.462 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.042 6.078 4.292 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.743 5.908 7.168 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -6.905 6.431 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.189 7.941 6.991 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.896 8.322 7.018 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.711 7.165 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.731 8.112 5.258 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.505 8.266 4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.783 8.590 4.625 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.510 7.057 4.090 1.00 0.00 H new ATOM 1398 N GLY A 87 -2.204 4.814 5.887 1.00 0.00 N ATOM 1399 CA GLY A 87 -1.640 4.274 7.100 1.00 0.00 C ATOM 1400 C GLY A 87 -0.503 5.105 7.605 1.00 0.00 C ATOM 1401 O GLY A 87 -0.360 6.259 7.142 1.00 0.00 O ATOM 0 H GLY A 87 -1.616 5.471 5.374 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.414 4.215 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -1.293 3.257 6.918 1.00 0.00 H new