USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 586 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 13 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 GLN : amide:sc=-0.00106 X(o=-0.0011,f=-0.018) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -144:sc= 0.0449 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 125:sc= 0.587 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.81 X(o=-3.8,f=-4.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -4.93! C(o=-5.7!,f=-4.9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 149:sc= 0.826 (180deg=0.286) USER MOD Single : A 38 ASN : amide:sc= -13.4! C(o=-13!,f=-20!) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.000528 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -7.28! C(o=-7.3!,f=-9.1!) USER MOD Single : A 48 GLN : amide:sc= -0.677 X(o=-0.68,f=-0.33) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.83 K(o=-1.8,f=-4.2!) USER MOD Single : A 56 LYS NZ :NH3+ -146:sc= -1.75 (180deg=-5.97!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -4.41! C(o=-4.4!,f=-10!) USER MOD Single : A 70 SER OG : rot 56:sc= 0.193 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 59:sc= 0.29 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.408 10.970 -11.405 1.00 0.00 N ATOM 2 CA GLY A 1 -1.578 10.315 -10.119 1.00 0.00 C ATOM 3 C GLY A 1 -0.724 10.988 -9.043 1.00 0.00 C ATOM 4 O GLY A 1 -0.423 12.177 -9.139 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.314 10.971 -11.916 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.093 11.950 -11.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.696 10.458 -11.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.628 10.346 -9.827 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.302 9.264 -10.203 1.00 0.00 H new ATOM 8 N SER A 2 -0.359 10.200 -8.043 1.00 0.00 N ATOM 9 CA SER A 2 0.453 10.705 -6.950 1.00 0.00 C ATOM 10 C SER A 2 -0.306 11.798 -6.195 1.00 0.00 C ATOM 11 O SER A 2 -0.216 12.974 -6.542 1.00 0.00 O ATOM 12 CB SER A 2 1.791 11.244 -7.461 1.00 0.00 C ATOM 13 OG SER A 2 2.794 11.232 -6.449 1.00 0.00 O ATOM 0 H SER A 2 -0.611 9.215 -7.967 1.00 0.00 H new ATOM 0 HA SER A 2 0.661 9.880 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.124 10.644 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.656 12.262 -7.825 1.00 0.00 H new ATOM 0 HG SER A 2 3.633 11.582 -6.816 1.00 0.00 H new ATOM 19 N SER A 3 -1.036 11.370 -5.175 1.00 0.00 N ATOM 20 CA SER A 3 -1.811 12.297 -4.368 1.00 0.00 C ATOM 21 C SER A 3 -2.123 11.672 -3.007 1.00 0.00 C ATOM 22 O SER A 3 -2.272 10.456 -2.898 1.00 0.00 O ATOM 23 CB SER A 3 -3.106 12.697 -5.079 1.00 0.00 C ATOM 24 OG SER A 3 -3.998 11.595 -5.221 1.00 0.00 O ATOM 0 H SER A 3 -1.107 10.393 -4.889 1.00 0.00 H new ATOM 0 HA SER A 3 -1.218 13.199 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.598 13.492 -4.518 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.869 13.101 -6.063 1.00 0.00 H new ATOM 0 HG SER A 3 -4.813 11.891 -5.678 1.00 0.00 H new ATOM 30 N GLY A 4 -2.213 12.532 -2.003 1.00 0.00 N ATOM 31 CA GLY A 4 -2.505 12.079 -0.654 1.00 0.00 C ATOM 32 C GLY A 4 -1.974 13.070 0.384 1.00 0.00 C ATOM 33 O GLY A 4 -0.785 13.384 0.397 1.00 0.00 O ATOM 0 H GLY A 4 -2.089 13.540 -2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.582 11.960 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.056 11.100 -0.490 1.00 0.00 H new ATOM 37 N SER A 5 -2.883 13.536 1.229 1.00 0.00 N ATOM 38 CA SER A 5 -2.521 14.485 2.268 1.00 0.00 C ATOM 39 C SER A 5 -1.391 13.915 3.128 1.00 0.00 C ATOM 40 O SER A 5 -0.287 14.455 3.145 1.00 0.00 O ATOM 41 CB SER A 5 -3.729 14.832 3.141 1.00 0.00 C ATOM 42 OG SER A 5 -4.791 15.401 2.380 1.00 0.00 O ATOM 0 H SER A 5 -3.869 13.274 1.215 1.00 0.00 H new ATOM 0 HA SER A 5 -2.177 15.402 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.084 13.932 3.643 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.425 15.532 3.919 1.00 0.00 H new ATOM 0 HG SER A 5 -5.544 15.607 2.972 1.00 0.00 H new ATOM 48 N SER A 6 -1.707 12.830 3.820 1.00 0.00 N ATOM 49 CA SER A 6 -0.732 12.180 4.679 1.00 0.00 C ATOM 50 C SER A 6 -1.092 10.704 4.857 1.00 0.00 C ATOM 51 O SER A 6 -2.083 10.377 5.509 1.00 0.00 O ATOM 52 CB SER A 6 -0.650 12.874 6.041 1.00 0.00 C ATOM 53 OG SER A 6 0.685 12.915 6.539 1.00 0.00 O ATOM 0 H SER A 6 -2.625 12.385 3.803 1.00 0.00 H new ATOM 0 HA SER A 6 0.246 12.254 4.203 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.036 13.890 5.954 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.287 12.350 6.754 1.00 0.00 H new ATOM 0 HG SER A 6 0.696 13.367 7.409 1.00 0.00 H new ATOM 59 N GLY A 7 -0.268 9.852 4.265 1.00 0.00 N ATOM 60 CA GLY A 7 -0.487 8.418 4.350 1.00 0.00 C ATOM 61 C GLY A 7 0.279 7.680 3.249 1.00 0.00 C ATOM 62 O GLY A 7 0.191 8.043 2.077 1.00 0.00 O ATOM 0 H GLY A 7 0.552 10.127 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.167 8.055 5.327 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.552 8.203 4.263 1.00 0.00 H new ATOM 66 N GLU A 8 1.012 6.658 3.666 1.00 0.00 N ATOM 67 CA GLU A 8 1.792 5.867 2.731 1.00 0.00 C ATOM 68 C GLU A 8 0.882 5.259 1.661 1.00 0.00 C ATOM 69 O GLU A 8 -0.009 4.471 1.974 1.00 0.00 O ATOM 70 CB GLU A 8 2.584 4.779 3.460 1.00 0.00 C ATOM 71 CG GLU A 8 4.089 5.025 3.344 1.00 0.00 C ATOM 72 CD GLU A 8 4.848 4.322 4.472 1.00 0.00 C ATOM 73 OE1 GLU A 8 4.628 4.718 5.637 1.00 0.00 O ATOM 74 OE2 GLU A 8 5.631 3.405 4.143 1.00 0.00 O ATOM 0 H GLU A 8 1.082 6.360 4.639 1.00 0.00 H new ATOM 0 HA GLU A 8 2.509 6.525 2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.296 4.757 4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.338 3.803 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.447 4.664 2.380 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.290 6.096 3.378 1.00 0.00 H new ATOM 81 N ILE A 9 1.138 5.649 0.421 1.00 0.00 N ATOM 82 CA ILE A 9 0.353 5.152 -0.696 1.00 0.00 C ATOM 83 C ILE A 9 1.113 4.014 -1.382 1.00 0.00 C ATOM 84 O ILE A 9 2.334 4.071 -1.517 1.00 0.00 O ATOM 85 CB ILE A 9 -0.020 6.298 -1.640 1.00 0.00 C ATOM 86 CG1 ILE A 9 -1.121 7.171 -1.033 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.407 5.766 -3.021 1.00 0.00 C ATOM 88 CD1 ILE A 9 -2.410 6.371 -0.837 1.00 0.00 C ATOM 0 H ILE A 9 1.878 6.303 0.165 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.592 4.738 -0.343 1.00 0.00 H new ATOM 0 HB ILE A 9 0.857 6.931 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.787 7.570 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.314 8.024 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.668 6.600 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.434 5.220 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.263 5.098 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -3.176 7.015 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.754 5.994 -1.800 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.220 5.533 -0.167 1.00 0.00 H new ATOM 100 N ALA A 10 0.357 3.008 -1.797 1.00 0.00 N ATOM 101 CA ALA A 10 0.944 1.858 -2.465 1.00 0.00 C ATOM 102 C ALA A 10 0.198 1.600 -3.775 1.00 0.00 C ATOM 103 O ALA A 10 -1.031 1.635 -3.811 1.00 0.00 O ATOM 104 CB ALA A 10 0.910 0.650 -1.526 1.00 0.00 C ATOM 0 H ALA A 10 -0.656 2.965 -1.684 1.00 0.00 H new ATOM 0 HA ALA A 10 1.988 2.049 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.350 -0.212 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.478 0.875 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.123 0.426 -1.258 1.00 0.00 H new ATOM 110 N GLN A 11 0.972 1.346 -4.820 1.00 0.00 N ATOM 111 CA GLN A 11 0.400 1.082 -6.129 1.00 0.00 C ATOM 112 C GLN A 11 0.328 -0.425 -6.383 1.00 0.00 C ATOM 113 O GLN A 11 1.354 -1.103 -6.411 1.00 0.00 O ATOM 114 CB GLN A 11 1.197 1.786 -7.228 1.00 0.00 C ATOM 115 CG GLN A 11 0.799 1.268 -8.612 1.00 0.00 C ATOM 116 CD GLN A 11 1.252 2.233 -9.710 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.363 2.738 -9.709 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.333 2.460 -10.644 1.00 0.00 N ATOM 0 H GLN A 11 1.991 1.317 -4.786 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.614 1.482 -6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.025 2.861 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.263 1.625 -7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.244 0.287 -8.779 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.282 1.140 -8.659 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.578 2.004 -10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.539 3.090 -11.420 1.00 0.00 H new ATOM 127 N VAL A 12 -0.894 -0.906 -6.561 1.00 0.00 N ATOM 128 CA VAL A 12 -1.112 -2.320 -6.812 1.00 0.00 C ATOM 129 C VAL A 12 -0.397 -2.721 -8.103 1.00 0.00 C ATOM 130 O VAL A 12 -0.524 -2.046 -9.123 1.00 0.00 O ATOM 131 CB VAL A 12 -2.612 -2.620 -6.841 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.873 -4.074 -7.240 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.263 -2.296 -5.495 1.00 0.00 C ATOM 0 H VAL A 12 -1.743 -0.341 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.689 -2.921 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.067 -1.978 -7.596 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.947 -4.261 -7.253 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.461 -4.259 -8.232 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.398 -4.740 -6.520 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.329 -2.518 -5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.802 -2.899 -4.713 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.123 -1.239 -5.268 1.00 0.00 H new ATOM 143 N THR A 13 0.340 -3.819 -8.017 1.00 0.00 N ATOM 144 CA THR A 13 1.076 -4.319 -9.166 1.00 0.00 C ATOM 145 C THR A 13 0.524 -5.677 -9.603 1.00 0.00 C ATOM 146 O THR A 13 0.710 -6.087 -10.748 1.00 0.00 O ATOM 147 CB THR A 13 2.560 -4.356 -8.797 1.00 0.00 C ATOM 148 OG1 THR A 13 2.623 -5.267 -7.703 1.00 0.00 O ATOM 149 CG2 THR A 13 3.051 -3.031 -8.208 1.00 0.00 C ATOM 0 H THR A 13 0.443 -4.377 -7.169 1.00 0.00 H new ATOM 0 HA THR A 13 0.957 -3.663 -10.028 1.00 0.00 H new ATOM 0 HB THR A 13 3.148 -4.599 -9.682 1.00 0.00 H new ATOM 0 HG1 THR A 13 3.551 -5.352 -7.401 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.110 -3.112 -7.964 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.907 -2.233 -8.937 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.486 -2.803 -7.304 1.00 0.00 H new ATOM 157 N SER A 14 -0.143 -6.337 -8.669 1.00 0.00 N ATOM 158 CA SER A 14 -0.723 -7.641 -8.943 1.00 0.00 C ATOM 159 C SER A 14 -2.099 -7.751 -8.283 1.00 0.00 C ATOM 160 O SER A 14 -2.245 -7.478 -7.093 1.00 0.00 O ATOM 161 CB SER A 14 0.192 -8.765 -8.453 1.00 0.00 C ATOM 162 OG SER A 14 1.551 -8.347 -8.366 1.00 0.00 O ATOM 0 H SER A 14 -0.295 -5.993 -7.721 1.00 0.00 H new ATOM 0 HA SER A 14 -0.835 -7.745 -10.022 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.146 -9.107 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.117 -9.615 -9.131 1.00 0.00 H new ATOM 0 HG SER A 14 2.103 -9.092 -8.048 1.00 0.00 H new ATOM 168 N ALA A 15 -3.075 -8.151 -9.086 1.00 0.00 N ATOM 169 CA ALA A 15 -4.434 -8.301 -8.595 1.00 0.00 C ATOM 170 C ALA A 15 -4.465 -9.380 -7.511 1.00 0.00 C ATOM 171 O ALA A 15 -3.699 -10.342 -7.566 1.00 0.00 O ATOM 172 CB ALA A 15 -5.367 -8.622 -9.764 1.00 0.00 C ATOM 0 H ALA A 15 -2.951 -8.376 -10.073 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.783 -7.372 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.387 -8.735 -9.395 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.331 -7.811 -10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.049 -9.550 -10.239 1.00 0.00 H new ATOM 178 N TYR A 16 -5.357 -9.185 -6.551 1.00 0.00 N ATOM 179 CA TYR A 16 -5.497 -10.130 -5.456 1.00 0.00 C ATOM 180 C TYR A 16 -6.970 -10.350 -5.107 1.00 0.00 C ATOM 181 O TYR A 16 -7.804 -9.477 -5.342 1.00 0.00 O ATOM 182 CB TYR A 16 -4.790 -9.494 -4.257 1.00 0.00 C ATOM 183 CG TYR A 16 -4.983 -10.257 -2.945 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.645 -11.593 -2.868 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.494 -9.609 -1.839 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.826 -12.311 -1.633 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.675 -10.327 -0.604 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.332 -11.642 -0.562 1.00 0.00 C ATOM 189 OH TYR A 16 -5.503 -12.320 0.605 1.00 0.00 O ATOM 0 H TYR A 16 -5.990 -8.386 -6.509 1.00 0.00 H new ATOM 0 HA TYR A 16 -5.073 -11.097 -5.727 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.724 -9.425 -4.472 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.157 -8.475 -4.130 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.245 -12.100 -3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.758 -8.564 -1.900 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.566 -13.357 -1.559 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.074 -9.832 0.269 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.033 -11.852 1.327 1.00 0.00 H new ATOM 199 N VAL A 17 -7.245 -11.521 -4.552 1.00 0.00 N ATOM 200 CA VAL A 17 -8.603 -11.867 -4.168 1.00 0.00 C ATOM 201 C VAL A 17 -8.622 -12.281 -2.696 1.00 0.00 C ATOM 202 O VAL A 17 -8.177 -13.374 -2.349 1.00 0.00 O ATOM 203 CB VAL A 17 -9.151 -12.949 -5.101 1.00 0.00 C ATOM 204 CG1 VAL A 17 -10.608 -13.274 -4.767 1.00 0.00 C ATOM 205 CG2 VAL A 17 -9.003 -12.536 -6.567 1.00 0.00 C ATOM 0 H VAL A 17 -6.550 -12.242 -4.359 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.261 -11.004 -4.271 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.562 -13.853 -4.947 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.973 -14.046 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.675 -13.632 -3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -11.216 -12.376 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.400 -13.323 -7.209 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -9.554 -11.612 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.949 -12.379 -6.796 1.00 0.00 H new ATOM 215 N ALA A 18 -9.143 -11.386 -1.869 1.00 0.00 N ATOM 216 CA ALA A 18 -9.226 -11.645 -0.442 1.00 0.00 C ATOM 217 C ALA A 18 -9.642 -13.100 -0.215 1.00 0.00 C ATOM 218 O ALA A 18 -10.403 -13.662 -1.002 1.00 0.00 O ATOM 219 CB ALA A 18 -10.198 -10.654 0.201 1.00 0.00 C ATOM 0 H ALA A 18 -9.512 -10.481 -2.160 1.00 0.00 H new ATOM 0 HA ALA A 18 -8.254 -11.502 0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.260 -10.848 1.272 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.842 -9.637 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -11.185 -10.770 -0.247 1.00 0.00 H new ATOM 225 N SER A 19 -9.125 -13.669 0.864 1.00 0.00 N ATOM 226 CA SER A 19 -9.433 -15.048 1.204 1.00 0.00 C ATOM 227 C SER A 19 -9.487 -15.212 2.724 1.00 0.00 C ATOM 228 O SER A 19 -8.799 -16.064 3.285 1.00 0.00 O ATOM 229 CB SER A 19 -8.404 -16.007 0.602 1.00 0.00 C ATOM 230 OG SER A 19 -8.840 -16.546 -0.642 1.00 0.00 O ATOM 0 H SER A 19 -8.495 -13.200 1.514 1.00 0.00 H new ATOM 0 HA SER A 19 -10.408 -15.295 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.460 -15.482 0.458 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.213 -16.820 1.302 1.00 0.00 H new ATOM 0 HG SER A 19 -8.155 -17.152 -0.994 1.00 0.00 H new ATOM 236 N GLY A 20 -10.312 -14.384 3.348 1.00 0.00 N ATOM 237 CA GLY A 20 -10.465 -14.427 4.792 1.00 0.00 C ATOM 238 C GLY A 20 -11.615 -13.528 5.249 1.00 0.00 C ATOM 239 O GLY A 20 -12.668 -13.489 4.613 1.00 0.00 O ATOM 0 H GLY A 20 -10.882 -13.679 2.880 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.652 -15.452 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.538 -14.108 5.269 1.00 0.00 H new ATOM 243 N SER A 21 -11.376 -12.827 6.347 1.00 0.00 N ATOM 244 CA SER A 21 -12.379 -11.930 6.897 1.00 0.00 C ATOM 245 C SER A 21 -11.823 -10.508 6.976 1.00 0.00 C ATOM 246 O SER A 21 -12.536 -9.542 6.707 1.00 0.00 O ATOM 247 CB SER A 21 -12.839 -12.399 8.279 1.00 0.00 C ATOM 248 OG SER A 21 -14.196 -12.831 8.272 1.00 0.00 O ATOM 0 H SER A 21 -10.502 -12.862 6.871 1.00 0.00 H new ATOM 0 HA SER A 21 -13.244 -11.938 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.200 -13.216 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.721 -11.586 8.995 1.00 0.00 H new ATOM 0 HG SER A 21 -14.451 -13.124 9.172 1.00 0.00 H new ATOM 254 N GLU A 22 -10.553 -10.423 7.346 1.00 0.00 N ATOM 255 CA GLU A 22 -9.893 -9.134 7.464 1.00 0.00 C ATOM 256 C GLU A 22 -8.925 -8.924 6.298 1.00 0.00 C ATOM 257 O GLU A 22 -7.828 -8.401 6.483 1.00 0.00 O ATOM 258 CB GLU A 22 -9.169 -9.010 8.806 1.00 0.00 C ATOM 259 CG GLU A 22 -8.103 -10.097 8.957 1.00 0.00 C ATOM 260 CD GLU A 22 -7.352 -9.950 10.282 1.00 0.00 C ATOM 261 OE1 GLU A 22 -7.978 -10.242 11.324 1.00 0.00 O ATOM 262 OE2 GLU A 22 -6.170 -9.548 10.223 1.00 0.00 O ATOM 0 H GLU A 22 -9.964 -11.226 7.568 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.653 -8.354 7.425 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.704 -8.027 8.883 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.889 -9.087 9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.572 -11.080 8.908 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.399 -10.038 8.127 1.00 0.00 H new ATOM 269 N GLN A 23 -9.368 -9.344 5.121 1.00 0.00 N ATOM 270 CA GLN A 23 -8.554 -9.209 3.924 1.00 0.00 C ATOM 271 C GLN A 23 -9.193 -8.209 2.959 1.00 0.00 C ATOM 272 O GLN A 23 -10.416 -8.098 2.893 1.00 0.00 O ATOM 273 CB GLN A 23 -8.344 -10.565 3.249 1.00 0.00 C ATOM 274 CG GLN A 23 -7.191 -11.330 3.902 1.00 0.00 C ATOM 275 CD GLN A 23 -7.711 -12.514 4.720 1.00 0.00 C ATOM 276 OE1 GLN A 23 -8.314 -12.360 5.769 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.446 -13.701 4.182 1.00 0.00 N ATOM 0 H GLN A 23 -10.279 -9.777 4.971 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.574 -8.829 4.214 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.259 -11.154 3.315 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.134 -10.419 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.506 -11.688 3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.624 -10.659 4.547 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.936 -13.759 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.752 -14.553 4.651 1.00 0.00 H new ATOM 286 N LEU A 24 -8.336 -7.505 2.234 1.00 0.00 N ATOM 287 CA LEU A 24 -8.801 -6.518 1.275 1.00 0.00 C ATOM 288 C LEU A 24 -8.331 -6.913 -0.127 1.00 0.00 C ATOM 289 O LEU A 24 -7.152 -7.196 -0.333 1.00 0.00 O ATOM 290 CB LEU A 24 -8.364 -5.113 1.696 1.00 0.00 C ATOM 291 CG LEU A 24 -8.606 -4.000 0.675 1.00 0.00 C ATOM 292 CD1 LEU A 24 -10.081 -3.933 0.276 1.00 0.00 C ATOM 293 CD2 LEU A 24 -8.091 -2.657 1.195 1.00 0.00 C ATOM 0 H LEU A 24 -7.322 -7.599 2.292 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.891 -6.495 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.885 -4.853 2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.299 -5.140 1.929 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.039 -4.234 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.225 -3.133 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.382 -4.883 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.688 -3.735 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.276 -1.883 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.609 -2.402 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.020 -2.728 1.387 1.00 0.00 H new ATOM 305 N SER A 25 -9.278 -6.919 -1.054 1.00 0.00 N ATOM 306 CA SER A 25 -8.975 -7.275 -2.430 1.00 0.00 C ATOM 307 C SER A 25 -8.172 -6.156 -3.095 1.00 0.00 C ATOM 308 O SER A 25 -8.510 -4.981 -2.962 1.00 0.00 O ATOM 309 CB SER A 25 -10.255 -7.552 -3.221 1.00 0.00 C ATOM 310 OG SER A 25 -10.835 -6.356 -3.735 1.00 0.00 O ATOM 0 H SER A 25 -10.255 -6.683 -0.879 1.00 0.00 H new ATOM 0 HA SER A 25 -8.379 -8.187 -2.424 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.032 -8.230 -4.045 1.00 0.00 H new ATOM 0 HB3 SER A 25 -10.976 -8.057 -2.578 1.00 0.00 H new ATOM 0 HG SER A 25 -11.649 -6.576 -4.235 1.00 0.00 H new ATOM 316 N LEU A 26 -7.123 -6.561 -3.797 1.00 0.00 N ATOM 317 CA LEU A 26 -6.269 -5.607 -4.484 1.00 0.00 C ATOM 318 C LEU A 26 -6.492 -5.723 -5.993 1.00 0.00 C ATOM 319 O LEU A 26 -6.721 -6.816 -6.508 1.00 0.00 O ATOM 320 CB LEU A 26 -4.810 -5.793 -4.062 1.00 0.00 C ATOM 321 CG LEU A 26 -4.559 -5.924 -2.558 1.00 0.00 C ATOM 322 CD1 LEU A 26 -3.188 -6.546 -2.284 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.728 -4.576 -1.854 1.00 0.00 C ATOM 0 H LEU A 26 -6.846 -7.537 -3.905 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.532 -4.588 -4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.421 -6.684 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.234 -4.946 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.308 -6.599 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.034 -6.628 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.142 -7.538 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.410 -5.916 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.544 -4.697 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.017 -3.859 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.743 -4.210 -2.008 1.00 0.00 H new ATOM 335 N ALA A 27 -6.418 -4.580 -6.659 1.00 0.00 N ATOM 336 CA ALA A 27 -6.609 -4.539 -8.099 1.00 0.00 C ATOM 337 C ALA A 27 -5.466 -3.750 -8.739 1.00 0.00 C ATOM 338 O ALA A 27 -5.000 -2.760 -8.177 1.00 0.00 O ATOM 339 CB ALA A 27 -7.981 -3.940 -8.416 1.00 0.00 C ATOM 0 H ALA A 27 -6.228 -3.675 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.589 -5.545 -8.517 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.124 -3.909 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.760 -4.555 -7.964 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.038 -2.929 -8.014 1.00 0.00 H new ATOM 345 N PRO A 28 -5.035 -4.229 -9.937 1.00 0.00 N ATOM 346 CA PRO A 28 -3.955 -3.579 -10.659 1.00 0.00 C ATOM 347 C PRO A 28 -4.436 -2.281 -11.312 1.00 0.00 C ATOM 348 O PRO A 28 -5.236 -2.312 -12.246 1.00 0.00 O ATOM 349 CB PRO A 28 -3.479 -4.611 -11.668 1.00 0.00 C ATOM 350 CG PRO A 28 -4.606 -5.624 -11.791 1.00 0.00 C ATOM 351 CD PRO A 28 -5.564 -5.399 -10.632 1.00 0.00 C ATOM 0 HA PRO A 28 -3.137 -3.273 -10.007 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.265 -4.146 -12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.559 -5.089 -11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.124 -5.505 -12.743 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.211 -6.640 -11.768 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.580 -5.224 -10.986 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.601 -6.267 -9.974 1.00 0.00 H new ATOM 359 N GLY A 29 -3.928 -1.172 -10.795 1.00 0.00 N ATOM 360 CA GLY A 29 -4.296 0.133 -11.316 1.00 0.00 C ATOM 361 C GLY A 29 -5.112 0.923 -10.291 1.00 0.00 C ATOM 362 O GLY A 29 -5.821 1.863 -10.648 1.00 0.00 O ATOM 0 H GLY A 29 -3.264 -1.151 -10.021 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.397 0.691 -11.578 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.875 0.013 -12.232 1.00 0.00 H new ATOM 366 N GLN A 30 -4.985 0.512 -9.038 1.00 0.00 N ATOM 367 CA GLN A 30 -5.702 1.170 -7.959 1.00 0.00 C ATOM 368 C GLN A 30 -4.716 1.786 -6.964 1.00 0.00 C ATOM 369 O GLN A 30 -3.504 1.709 -7.158 1.00 0.00 O ATOM 370 CB GLN A 30 -6.651 0.196 -7.258 1.00 0.00 C ATOM 371 CG GLN A 30 -7.898 -0.061 -8.107 1.00 0.00 C ATOM 372 CD GLN A 30 -9.066 -0.530 -7.237 1.00 0.00 C ATOM 373 OE1 GLN A 30 -8.842 -1.678 -6.603 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.102 0.108 -7.147 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.397 -0.268 -8.746 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.306 1.971 -8.386 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.136 -0.746 -7.067 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.943 0.601 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.177 0.851 -8.636 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.678 -0.814 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.209 0.983 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.861 -0.233 -6.558 1.00 0.00 H new ATOM 383 N LEU A 31 -5.272 2.383 -5.920 1.00 0.00 N ATOM 384 CA LEU A 31 -4.457 3.011 -4.895 1.00 0.00 C ATOM 385 C LEU A 31 -4.983 2.611 -3.515 1.00 0.00 C ATOM 386 O LEU A 31 -6.186 2.435 -3.332 1.00 0.00 O ATOM 387 CB LEU A 31 -4.394 4.524 -5.114 1.00 0.00 C ATOM 388 CG LEU A 31 -3.842 4.984 -6.465 1.00 0.00 C ATOM 389 CD1 LEU A 31 -4.010 6.494 -6.641 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.386 4.546 -6.640 1.00 0.00 C ATOM 0 H LEU A 31 -6.278 2.445 -5.762 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.427 2.659 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.399 4.930 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.780 4.960 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.421 4.502 -7.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.609 6.794 -7.609 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.068 6.751 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.472 7.015 -5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.018 4.885 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.777 4.981 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.324 3.459 -6.589 1.00 0.00 H new ATOM 402 N ILE A 32 -4.055 2.479 -2.579 1.00 0.00 N ATOM 403 CA ILE A 32 -4.409 2.103 -1.221 1.00 0.00 C ATOM 404 C ILE A 32 -3.558 2.905 -0.235 1.00 0.00 C ATOM 405 O ILE A 32 -2.397 3.203 -0.512 1.00 0.00 O ATOM 406 CB ILE A 32 -4.298 0.588 -1.038 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.550 -0.121 -1.559 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.003 0.232 0.420 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.204 -1.499 -2.127 1.00 0.00 C ATOM 0 H ILE A 32 -3.058 2.626 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.451 2.350 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.456 0.233 -1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.274 -0.228 -0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -6.021 0.487 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.929 -0.851 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.062 0.690 0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.808 0.602 1.055 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.112 -1.981 -2.490 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.498 -1.387 -2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.755 -2.112 -1.346 1.00 0.00 H new ATOM 421 N LEU A 33 -4.168 3.233 0.894 1.00 0.00 N ATOM 422 CA LEU A 33 -3.480 3.995 1.923 1.00 0.00 C ATOM 423 C LEU A 33 -3.025 3.048 3.035 1.00 0.00 C ATOM 424 O LEU A 33 -3.850 2.479 3.748 1.00 0.00 O ATOM 425 CB LEU A 33 -4.361 5.144 2.417 1.00 0.00 C ATOM 426 CG LEU A 33 -3.640 6.271 3.159 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.638 7.189 3.866 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.595 5.709 4.126 1.00 0.00 C ATOM 0 H LEU A 33 -5.131 2.985 1.119 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.584 4.463 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.878 5.573 1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.125 4.732 3.077 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.109 6.877 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.099 7.981 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.311 7.630 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.217 6.611 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.097 6.530 4.641 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.085 5.066 4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.858 5.130 3.569 1.00 0.00 H new ATOM 440 N ILE A 34 -1.712 2.907 3.148 1.00 0.00 N ATOM 441 CA ILE A 34 -1.137 2.039 4.160 1.00 0.00 C ATOM 442 C ILE A 34 -1.457 2.599 5.548 1.00 0.00 C ATOM 443 O ILE A 34 -1.125 3.744 5.851 1.00 0.00 O ATOM 444 CB ILE A 34 0.359 1.839 3.908 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.605 1.226 2.528 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.998 1.011 5.025 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.141 -0.101 2.376 1.00 0.00 C ATOM 0 H ILE A 34 -1.030 3.380 2.555 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.581 1.045 4.106 1.00 0.00 H new ATOM 0 HB ILE A 34 0.840 2.817 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.279 1.921 1.754 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.673 1.065 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.061 0.884 4.821 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.870 1.525 5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.518 0.033 5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.051 -0.515 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.205 -0.802 3.136 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.211 0.067 2.497 1.00 0.00 H new ATOM 459 N LEU A 35 -2.098 1.765 6.354 1.00 0.00 N ATOM 460 CA LEU A 35 -2.467 2.163 7.702 1.00 0.00 C ATOM 461 C LEU A 35 -1.600 1.404 8.708 1.00 0.00 C ATOM 462 O LEU A 35 -0.917 2.014 9.529 1.00 0.00 O ATOM 463 CB LEU A 35 -3.970 1.979 7.923 1.00 0.00 C ATOM 464 CG LEU A 35 -4.884 2.592 6.860 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.241 1.886 6.830 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.029 4.101 7.067 1.00 0.00 C ATOM 0 H LEU A 35 -2.371 0.816 6.100 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.274 3.225 7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.180 0.911 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.230 2.410 8.890 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.421 2.443 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.871 2.341 6.066 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.097 0.830 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.723 1.983 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.683 4.512 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.458 4.294 8.050 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.049 4.573 7.000 1.00 0.00 H new ATOM 478 N LYS A 36 -1.656 0.083 8.611 1.00 0.00 N ATOM 479 CA LYS A 36 -0.884 -0.765 9.503 1.00 0.00 C ATOM 480 C LYS A 36 0.002 -1.697 8.673 1.00 0.00 C ATOM 481 O LYS A 36 -0.403 -2.158 7.606 1.00 0.00 O ATOM 482 CB LYS A 36 -1.808 -1.500 10.476 1.00 0.00 C ATOM 483 CG LYS A 36 -1.288 -1.395 11.911 1.00 0.00 C ATOM 484 CD LYS A 36 -1.890 -0.183 12.625 1.00 0.00 C ATOM 485 CE LYS A 36 -2.849 -0.620 13.734 1.00 0.00 C ATOM 486 NZ LYS A 36 -2.622 0.178 14.959 1.00 0.00 N ATOM 0 H LYS A 36 -2.224 -0.420 7.929 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.221 -0.162 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.812 -1.080 10.418 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.884 -2.549 10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.536 -2.304 12.459 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.201 -1.314 11.903 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.092 0.427 13.049 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.420 0.441 11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.880 -0.500 13.400 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.706 -1.679 13.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.281 -0.131 15.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.644 0.042 15.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.781 1.185 14.752 1.00 0.00 H new ATOM 500 N LYS A 37 1.194 -1.948 9.194 1.00 0.00 N ATOM 501 CA LYS A 37 2.140 -2.817 8.514 1.00 0.00 C ATOM 502 C LYS A 37 2.573 -3.935 9.465 1.00 0.00 C ATOM 503 O LYS A 37 2.271 -3.893 10.657 1.00 0.00 O ATOM 504 CB LYS A 37 3.306 -2.002 7.951 1.00 0.00 C ATOM 505 CG LYS A 37 2.864 -1.175 6.742 1.00 0.00 C ATOM 506 CD LYS A 37 4.060 -0.812 5.859 1.00 0.00 C ATOM 507 CE LYS A 37 4.197 0.705 5.719 1.00 0.00 C ATOM 508 NZ LYS A 37 5.602 1.120 5.932 1.00 0.00 N ATOM 0 H LYS A 37 1.527 -1.565 10.079 1.00 0.00 H new ATOM 0 HA LYS A 37 1.670 -3.294 7.654 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.699 -1.341 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.116 -2.672 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.135 -1.738 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.368 -0.265 7.081 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.973 -1.225 6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.939 -1.262 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.866 1.016 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.551 1.203 6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.805 1.965 5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.751 1.338 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.239 0.349 5.647 1.00 0.00 H new ATOM 522 N ASN A 38 3.273 -4.908 8.902 1.00 0.00 N ATOM 523 CA ASN A 38 3.751 -6.036 9.685 1.00 0.00 C ATOM 524 C ASN A 38 5.098 -6.503 9.130 1.00 0.00 C ATOM 525 O ASN A 38 5.665 -5.861 8.247 1.00 0.00 O ATOM 526 CB ASN A 38 2.775 -7.211 9.610 1.00 0.00 C ATOM 527 CG ASN A 38 2.824 -7.878 8.233 1.00 0.00 C ATOM 528 OD1 ASN A 38 3.152 -9.044 8.091 1.00 0.00 O ATOM 529 ND2 ASN A 38 2.482 -7.074 7.230 1.00 0.00 N ATOM 0 H ASN A 38 3.521 -4.939 7.913 1.00 0.00 H new ATOM 0 HA ASN A 38 3.845 -5.711 10.721 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.020 -7.942 10.381 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.763 -6.861 9.813 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.484 -7.424 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.217 -6.107 7.419 1.00 0.00 H new ATOM 536 N THR A 39 5.570 -7.617 9.669 1.00 0.00 N ATOM 537 CA THR A 39 6.839 -8.177 9.238 1.00 0.00 C ATOM 538 C THR A 39 6.617 -9.507 8.515 1.00 0.00 C ATOM 539 O THR A 39 7.416 -10.433 8.651 1.00 0.00 O ATOM 540 CB THR A 39 7.744 -8.297 10.466 1.00 0.00 C ATOM 541 OG1 THR A 39 7.179 -9.372 11.211 1.00 0.00 O ATOM 542 CG2 THR A 39 7.624 -7.092 11.402 1.00 0.00 C ATOM 0 H THR A 39 5.096 -8.147 10.401 1.00 0.00 H new ATOM 0 HA THR A 39 7.332 -7.528 8.514 1.00 0.00 H new ATOM 0 HB THR A 39 8.780 -8.405 10.144 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.706 -9.519 12.024 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.287 -7.228 12.257 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.905 -6.185 10.866 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.595 -7.003 11.751 1.00 0.00 H new ATOM 550 N SER A 40 5.528 -9.560 7.762 1.00 0.00 N ATOM 551 CA SER A 40 5.191 -10.761 7.017 1.00 0.00 C ATOM 552 C SER A 40 4.864 -10.403 5.566 1.00 0.00 C ATOM 553 O SER A 40 5.264 -11.110 4.643 1.00 0.00 O ATOM 554 CB SER A 40 4.013 -11.496 7.661 1.00 0.00 C ATOM 555 OG SER A 40 4.212 -12.906 7.683 1.00 0.00 O ATOM 0 H SER A 40 4.868 -8.790 7.652 1.00 0.00 H new ATOM 0 HA SER A 40 6.054 -11.427 7.034 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.873 -11.134 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.099 -11.267 7.112 1.00 0.00 H new ATOM 0 HG SER A 40 3.440 -13.339 8.103 1.00 0.00 H new ATOM 561 N GLY A 41 4.140 -9.304 5.410 1.00 0.00 N ATOM 562 CA GLY A 41 3.755 -8.843 4.087 1.00 0.00 C ATOM 563 C GLY A 41 2.278 -8.446 4.054 1.00 0.00 C ATOM 564 O GLY A 41 1.803 -7.893 3.063 1.00 0.00 O ATOM 0 H GLY A 41 3.810 -8.720 6.178 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.371 -7.990 3.801 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.940 -9.630 3.355 1.00 0.00 H new ATOM 568 N TRP A 42 1.593 -8.745 5.147 1.00 0.00 N ATOM 569 CA TRP A 42 0.179 -8.426 5.255 1.00 0.00 C ATOM 570 C TRP A 42 0.056 -6.985 5.753 1.00 0.00 C ATOM 571 O TRP A 42 0.128 -6.731 6.954 1.00 0.00 O ATOM 572 CB TRP A 42 -0.542 -9.432 6.154 1.00 0.00 C ATOM 573 CG TRP A 42 -0.729 -10.812 5.519 1.00 0.00 C ATOM 574 CD1 TRP A 42 0.059 -11.889 5.640 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.810 -11.221 4.655 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.433 -12.958 4.919 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.605 -12.539 4.301 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.924 -10.502 4.187 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.473 -13.252 3.465 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.781 -11.228 3.352 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.589 -12.555 2.987 1.00 0.00 C ATOM 0 H TRP A 42 1.990 -9.205 5.966 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.309 -8.501 4.283 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.020 -9.543 7.081 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.520 -9.030 6.420 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.965 -11.917 6.228 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.013 -13.885 4.852 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.104 -9.470 4.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.291 -14.284 3.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.652 -10.721 2.964 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.298 -13.047 2.337 1.00 0.00 H new ATOM 592 N TRP A 43 -0.127 -6.079 4.804 1.00 0.00 N ATOM 593 CA TRP A 43 -0.261 -4.669 5.130 1.00 0.00 C ATOM 594 C TRP A 43 -1.751 -4.361 5.294 1.00 0.00 C ATOM 595 O TRP A 43 -2.580 -4.868 4.540 1.00 0.00 O ATOM 596 CB TRP A 43 0.417 -3.795 4.074 1.00 0.00 C ATOM 597 CG TRP A 43 1.945 -3.782 4.164 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.723 -4.390 5.070 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.853 -3.099 3.274 1.00 0.00 C ATOM 600 NE1 TRP A 43 4.061 -4.150 4.830 1.00 0.00 N ATOM 601 CE2 TRP A 43 4.142 -3.340 3.703 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.594 -2.304 2.144 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.273 -2.823 3.061 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.735 -1.794 1.513 1.00 0.00 C ATOM 605 CH2 TRP A 43 5.039 -2.028 1.932 1.00 0.00 C ATOM 0 H TRP A 43 -0.186 -6.294 3.809 1.00 0.00 H new ATOM 0 HA TRP A 43 0.247 -4.440 6.067 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.125 -4.146 3.084 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.049 -2.774 4.172 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.350 -4.992 5.885 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.846 -4.502 5.378 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.594 -2.102 1.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.272 -3.026 3.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.592 -1.175 0.639 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.868 -1.599 1.389 1.00 0.00 H new ATOM 616 N GLN A 44 -2.045 -3.532 6.284 1.00 0.00 N ATOM 617 CA GLN A 44 -3.421 -3.150 6.557 1.00 0.00 C ATOM 618 C GLN A 44 -3.655 -1.690 6.163 1.00 0.00 C ATOM 619 O GLN A 44 -3.258 -0.778 6.886 1.00 0.00 O ATOM 620 CB GLN A 44 -3.774 -3.385 8.027 1.00 0.00 C ATOM 621 CG GLN A 44 -5.286 -3.520 8.213 1.00 0.00 C ATOM 622 CD GLN A 44 -5.668 -3.424 9.691 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.849 -3.153 10.554 1.00 0.00 O ATOM 624 NE2 GLN A 44 -6.954 -3.660 9.934 1.00 0.00 N ATOM 0 H GLN A 44 -1.354 -3.114 6.907 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.078 -3.778 5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.278 -4.288 8.384 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.402 -2.557 8.631 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.796 -2.738 7.650 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.622 -4.475 7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.586 -3.881 9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.308 -3.620 10.890 1.00 0.00 H new ATOM 633 N GLY A 45 -4.297 -1.515 5.018 1.00 0.00 N ATOM 634 CA GLY A 45 -4.589 -0.182 4.519 1.00 0.00 C ATOM 635 C GLY A 45 -6.006 -0.108 3.947 1.00 0.00 C ATOM 636 O GLY A 45 -6.767 -1.070 4.039 1.00 0.00 O ATOM 0 H GLY A 45 -4.624 -2.275 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.480 0.544 5.325 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.867 0.088 3.748 1.00 0.00 H new ATOM 640 N GLU A 46 -6.317 1.043 3.371 1.00 0.00 N ATOM 641 CA GLU A 46 -7.630 1.256 2.784 1.00 0.00 C ATOM 642 C GLU A 46 -7.504 1.525 1.284 1.00 0.00 C ATOM 643 O GLU A 46 -6.481 2.031 0.824 1.00 0.00 O ATOM 644 CB GLU A 46 -8.366 2.398 3.487 1.00 0.00 C ATOM 645 CG GLU A 46 -9.867 2.114 3.570 1.00 0.00 C ATOM 646 CD GLU A 46 -10.654 3.050 2.651 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.362 3.030 1.436 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.530 3.765 3.184 1.00 0.00 O ATOM 0 H GLU A 46 -5.683 1.839 3.298 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.219 0.349 2.921 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.962 2.533 4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.198 3.330 2.948 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.061 1.078 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.208 2.237 4.598 1.00 0.00 H new ATOM 655 N LEU A 47 -8.558 1.176 0.561 1.00 0.00 N ATOM 656 CA LEU A 47 -8.578 1.374 -0.878 1.00 0.00 C ATOM 657 C LEU A 47 -8.958 2.824 -1.184 1.00 0.00 C ATOM 658 O LEU A 47 -10.086 3.241 -0.927 1.00 0.00 O ATOM 659 CB LEU A 47 -9.490 0.345 -1.548 1.00 0.00 C ATOM 660 CG LEU A 47 -8.888 -0.416 -2.732 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.650 -1.716 -2.992 1.00 0.00 C ATOM 662 CD2 LEU A 47 -8.823 0.470 -3.977 1.00 0.00 C ATOM 0 H LEU A 47 -9.405 0.757 0.945 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.586 1.208 -1.299 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.800 -0.380 -0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.391 0.855 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.864 -0.689 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.202 -2.237 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.600 -2.350 -2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.692 -1.488 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.391 -0.095 -4.803 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.828 0.795 -4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.203 1.342 -3.771 1.00 0.00 H new ATOM 674 N GLN A 48 -7.995 3.553 -1.728 1.00 0.00 N ATOM 675 CA GLN A 48 -8.214 4.948 -2.071 1.00 0.00 C ATOM 676 C GLN A 48 -8.728 5.066 -3.508 1.00 0.00 C ATOM 677 O GLN A 48 -8.541 6.096 -4.155 1.00 0.00 O ATOM 678 CB GLN A 48 -6.938 5.768 -1.876 1.00 0.00 C ATOM 679 CG GLN A 48 -6.511 5.776 -0.407 1.00 0.00 C ATOM 680 CD GLN A 48 -7.643 6.278 0.491 1.00 0.00 C ATOM 681 OE1 GLN A 48 -8.092 7.409 0.395 1.00 0.00 O ATOM 682 NE2 GLN A 48 -8.079 5.377 1.367 1.00 0.00 N ATOM 0 H GLN A 48 -7.060 3.204 -1.940 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.972 5.353 -1.400 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.138 5.353 -2.489 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.103 6.790 -2.216 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.220 4.770 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.635 6.412 -0.283 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.659 4.448 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.833 5.615 2.011 1.00 0.00 H new ATOM 691 N ALA A 49 -9.365 3.998 -3.964 1.00 0.00 N ATOM 692 CA ALA A 49 -9.907 3.970 -5.312 1.00 0.00 C ATOM 693 C ALA A 49 -11.433 3.892 -5.242 1.00 0.00 C ATOM 694 O ALA A 49 -12.032 2.930 -5.719 1.00 0.00 O ATOM 695 CB ALA A 49 -9.299 2.796 -6.083 1.00 0.00 C ATOM 0 H ALA A 49 -9.518 3.146 -3.425 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.647 4.883 -5.849 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.706 2.775 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.216 2.913 -6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.541 1.863 -5.575 1.00 0.00 H new ATOM 701 N ARG A 50 -12.019 4.919 -4.644 1.00 0.00 N ATOM 702 CA ARG A 50 -13.464 4.980 -4.506 1.00 0.00 C ATOM 703 C ARG A 50 -13.995 3.677 -3.904 1.00 0.00 C ATOM 704 O ARG A 50 -13.224 2.764 -3.614 1.00 0.00 O ATOM 705 CB ARG A 50 -14.138 5.220 -5.858 1.00 0.00 C ATOM 706 CG ARG A 50 -14.069 6.697 -6.250 1.00 0.00 C ATOM 707 CD ARG A 50 -15.301 7.108 -7.059 1.00 0.00 C ATOM 708 NE ARG A 50 -16.210 7.920 -6.219 1.00 0.00 N ATOM 709 CZ ARG A 50 -17.523 8.055 -6.447 1.00 0.00 C ATOM 710 NH1 ARG A 50 -18.089 7.434 -7.491 1.00 0.00 N ATOM 711 NH2 ARG A 50 -18.271 8.812 -5.632 1.00 0.00 N ATOM 0 H ARG A 50 -11.519 5.716 -4.249 1.00 0.00 H new ATOM 0 HA ARG A 50 -13.698 5.813 -3.844 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.653 4.614 -6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.179 4.901 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.997 7.312 -5.353 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.168 6.880 -6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.996 7.679 -7.936 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.822 6.221 -7.420 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.812 8.407 -5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -17.520 6.859 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.089 7.537 -7.665 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.840 9.286 -4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -19.271 8.915 -5.806 1.00 0.00 H new ATOM 725 N GLY A 51 -15.308 3.633 -3.734 1.00 0.00 N ATOM 726 CA GLY A 51 -15.951 2.457 -3.172 1.00 0.00 C ATOM 727 C GLY A 51 -16.926 2.844 -2.058 1.00 0.00 C ATOM 728 O GLY A 51 -16.507 3.245 -0.974 1.00 0.00 O ATOM 0 H GLY A 51 -15.944 4.393 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.484 1.920 -3.956 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.195 1.778 -2.778 1.00 0.00 H new ATOM 732 N LYS A 52 -18.208 2.710 -2.365 1.00 0.00 N ATOM 733 CA LYS A 52 -19.246 3.041 -1.404 1.00 0.00 C ATOM 734 C LYS A 52 -18.847 2.510 -0.026 1.00 0.00 C ATOM 735 O LYS A 52 -18.818 3.260 0.949 1.00 0.00 O ATOM 736 CB LYS A 52 -20.606 2.535 -1.888 1.00 0.00 C ATOM 737 CG LYS A 52 -21.560 3.700 -2.159 1.00 0.00 C ATOM 738 CD LYS A 52 -22.996 3.203 -2.338 1.00 0.00 C ATOM 739 CE LYS A 52 -23.203 2.619 -3.737 1.00 0.00 C ATOM 740 NZ LYS A 52 -24.646 2.515 -4.047 1.00 0.00 N ATOM 0 H LYS A 52 -18.551 2.377 -3.266 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.349 4.122 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -20.477 1.947 -2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.039 1.872 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -21.517 4.409 -1.332 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -21.242 4.234 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.219 2.445 -1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.692 4.026 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -22.711 3.250 -4.477 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -22.740 1.634 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -24.769 2.117 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -25.107 1.895 -3.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -25.078 3.460 -4.008 1.00 0.00 H new ATOM 754 N LYS A 53 -18.549 1.219 0.012 1.00 0.00 N ATOM 755 CA LYS A 53 -18.153 0.578 1.254 1.00 0.00 C ATOM 756 C LYS A 53 -16.630 0.628 1.386 1.00 0.00 C ATOM 757 O LYS A 53 -15.918 -0.068 0.663 1.00 0.00 O ATOM 758 CB LYS A 53 -18.732 -0.836 1.336 1.00 0.00 C ATOM 759 CG LYS A 53 -18.216 -1.706 0.189 1.00 0.00 C ATOM 760 CD LYS A 53 -19.376 -2.346 -0.578 1.00 0.00 C ATOM 761 CE LYS A 53 -18.999 -3.743 -1.076 1.00 0.00 C ATOM 762 NZ LYS A 53 -20.048 -4.722 -0.716 1.00 0.00 N ATOM 0 H LYS A 53 -18.574 0.600 -0.798 1.00 0.00 H new ATOM 0 HA LYS A 53 -18.565 1.116 2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.462 -1.289 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.820 -0.790 1.301 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.616 -1.100 -0.490 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -17.563 -2.484 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -20.252 -2.410 0.067 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -19.649 -1.716 -1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -18.865 -3.726 -2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -18.046 -4.046 -0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -19.776 -5.665 -1.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -20.157 -4.750 0.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -20.950 -4.440 -1.151 1.00 0.00 H new ATOM 776 N ARG A 54 -16.174 1.457 2.313 1.00 0.00 N ATOM 777 CA ARG A 54 -14.748 1.606 2.549 1.00 0.00 C ATOM 778 C ARG A 54 -14.046 0.252 2.431 1.00 0.00 C ATOM 779 O ARG A 54 -14.409 -0.701 3.118 1.00 0.00 O ATOM 780 CB ARG A 54 -14.477 2.194 3.935 1.00 0.00 C ATOM 781 CG ARG A 54 -14.852 1.200 5.035 1.00 0.00 C ATOM 782 CD ARG A 54 -13.606 0.525 5.612 1.00 0.00 C ATOM 783 NE ARG A 54 -13.892 0.010 6.970 1.00 0.00 N ATOM 784 CZ ARG A 54 -14.608 -1.095 7.218 1.00 0.00 C ATOM 785 NH1 ARG A 54 -15.116 -1.807 6.203 1.00 0.00 N ATOM 786 NH2 ARG A 54 -14.818 -1.488 8.482 1.00 0.00 N ATOM 0 H ARG A 54 -16.767 2.033 2.910 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.357 2.289 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.423 2.458 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.047 3.114 4.061 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.391 1.717 5.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.526 0.444 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.292 -0.292 4.963 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -12.781 1.237 5.650 1.00 0.00 H new ATOM 0 HE ARG A 54 -13.521 0.528 7.766 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.958 -1.508 5.241 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.661 -2.648 6.393 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.433 -0.946 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.363 -2.329 8.671 1.00 0.00 H new ATOM 800 N GLN A 55 -13.054 0.210 1.554 1.00 0.00 N ATOM 801 CA GLN A 55 -12.297 -1.012 1.338 1.00 0.00 C ATOM 802 C GLN A 55 -11.016 -0.998 2.174 1.00 0.00 C ATOM 803 O GLN A 55 -9.997 -0.457 1.747 1.00 0.00 O ATOM 804 CB GLN A 55 -11.982 -1.205 -0.147 1.00 0.00 C ATOM 805 CG GLN A 55 -13.148 -1.878 -0.872 1.00 0.00 C ATOM 806 CD GLN A 55 -13.091 -1.602 -2.376 1.00 0.00 C ATOM 807 OE1 GLN A 55 -12.632 -0.565 -2.826 1.00 0.00 O ATOM 808 NE2 GLN A 55 -13.582 -2.585 -3.126 1.00 0.00 N ATOM 0 H GLN A 55 -12.757 1.002 0.985 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.907 -1.856 1.659 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.772 -0.239 -0.606 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.083 -1.811 -0.256 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.119 -2.953 -0.695 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -14.092 -1.513 -0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.951 -3.427 -2.685 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.589 -2.496 -4.142 1.00 0.00 H new ATOM 817 N LYS A 56 -11.109 -1.600 3.351 1.00 0.00 N ATOM 818 CA LYS A 56 -9.970 -1.664 4.250 1.00 0.00 C ATOM 819 C LYS A 56 -9.840 -3.086 4.800 1.00 0.00 C ATOM 820 O LYS A 56 -10.795 -3.634 5.347 1.00 0.00 O ATOM 821 CB LYS A 56 -10.084 -0.593 5.336 1.00 0.00 C ATOM 822 CG LYS A 56 -9.533 -1.103 6.670 1.00 0.00 C ATOM 823 CD LYS A 56 -8.005 -1.188 6.635 1.00 0.00 C ATOM 824 CE LYS A 56 -7.413 -0.985 8.031 1.00 0.00 C ATOM 825 NZ LYS A 56 -8.027 0.189 8.689 1.00 0.00 N ATOM 0 H LYS A 56 -11.956 -2.048 3.702 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.048 -1.443 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.538 0.299 5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.128 -0.302 5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.846 -0.438 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.951 -2.086 6.888 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.700 -2.159 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.611 -0.433 5.955 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.579 -1.876 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.334 -0.846 7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.320 0.661 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.367 0.854 7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.827 -0.121 9.277 1.00 0.00 H new ATOM 839 N GLY A 57 -8.648 -3.643 4.636 1.00 0.00 N ATOM 840 CA GLY A 57 -8.381 -4.990 5.110 1.00 0.00 C ATOM 841 C GLY A 57 -6.882 -5.296 5.073 1.00 0.00 C ATOM 842 O GLY A 57 -6.080 -4.444 4.694 1.00 0.00 O ATOM 0 H GLY A 57 -7.857 -3.186 4.182 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.754 -5.102 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.918 -5.710 4.493 1.00 0.00 H new ATOM 846 N TRP A 58 -6.550 -6.515 5.473 1.00 0.00 N ATOM 847 CA TRP A 58 -5.162 -6.944 5.491 1.00 0.00 C ATOM 848 C TRP A 58 -4.859 -7.622 4.153 1.00 0.00 C ATOM 849 O TRP A 58 -5.462 -8.640 3.818 1.00 0.00 O ATOM 850 CB TRP A 58 -4.882 -7.847 6.694 1.00 0.00 C ATOM 851 CG TRP A 58 -4.832 -7.104 8.031 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.858 -6.754 8.819 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.649 -6.631 8.708 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.424 -6.093 9.950 1.00 0.00 N ATOM 855 CE2 TRP A 58 -4.038 -6.016 9.880 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.294 -6.720 8.342 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.133 -5.442 10.782 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.403 -6.142 9.254 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.778 -5.519 10.438 1.00 0.00 C ATOM 0 H TRP A 58 -7.218 -7.219 5.787 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.496 -6.089 5.607 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.653 -8.616 6.746 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.932 -8.358 6.538 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.894 -6.963 8.597 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -6.012 -5.728 10.699 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.967 -7.196 7.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.463 -4.966 11.694 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.349 -6.183 9.021 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.028 -5.096 11.090 1.00 0.00 H new ATOM 870 N PHE A 59 -3.924 -7.029 3.424 1.00 0.00 N ATOM 871 CA PHE A 59 -3.534 -7.562 2.130 1.00 0.00 C ATOM 872 C PHE A 59 -2.013 -7.692 2.027 1.00 0.00 C ATOM 873 O PHE A 59 -1.279 -7.050 2.777 1.00 0.00 O ATOM 874 CB PHE A 59 -4.022 -6.571 1.072 1.00 0.00 C ATOM 875 CG PHE A 59 -3.299 -5.223 1.101 1.00 0.00 C ATOM 876 CD1 PHE A 59 -2.034 -5.120 0.614 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.922 -4.128 1.614 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.363 -3.869 0.640 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.251 -2.877 1.641 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.985 -2.774 1.154 1.00 0.00 C ATOM 0 H PHE A 59 -3.426 -6.185 3.705 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.967 -8.552 1.990 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.897 -7.018 0.086 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.090 -6.402 1.212 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.539 -5.990 0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.927 -4.210 2.001 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.359 -3.787 0.252 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.746 -2.007 2.048 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.474 -1.823 1.175 1.00 0.00 H new ATOM 890 N PRO A 60 -1.573 -8.548 1.066 1.00 0.00 N ATOM 891 CA PRO A 60 -0.153 -8.770 0.855 1.00 0.00 C ATOM 892 C PRO A 60 0.487 -7.581 0.136 1.00 0.00 C ATOM 893 O PRO A 60 -0.019 -7.124 -0.887 1.00 0.00 O ATOM 894 CB PRO A 60 -0.071 -10.061 0.056 1.00 0.00 C ATOM 895 CG PRO A 60 -1.451 -10.266 -0.548 1.00 0.00 C ATOM 896 CD PRO A 60 -2.413 -9.325 0.159 1.00 0.00 C ATOM 0 HA PRO A 60 0.402 -8.859 1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.689 -9.991 -0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.204 -10.900 0.696 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.434 -10.061 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.771 -11.301 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.930 -8.680 -0.552 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.179 -9.877 0.704 1.00 0.00 H new ATOM 904 N ALA A 61 1.591 -7.113 0.701 1.00 0.00 N ATOM 905 CA ALA A 61 2.306 -5.986 0.127 1.00 0.00 C ATOM 906 C ALA A 61 2.990 -6.427 -1.169 1.00 0.00 C ATOM 907 O ALA A 61 3.396 -5.593 -1.976 1.00 0.00 O ATOM 908 CB ALA A 61 3.298 -5.435 1.152 1.00 0.00 C ATOM 0 H ALA A 61 2.007 -7.494 1.550 1.00 0.00 H new ATOM 0 HA ALA A 61 1.615 -5.181 -0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.834 -4.590 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.759 -5.108 2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.009 -6.214 1.426 1.00 0.00 H new ATOM 914 N SER A 62 3.097 -7.738 -1.327 1.00 0.00 N ATOM 915 CA SER A 62 3.725 -8.301 -2.510 1.00 0.00 C ATOM 916 C SER A 62 2.838 -8.068 -3.734 1.00 0.00 C ATOM 917 O SER A 62 3.252 -8.324 -4.864 1.00 0.00 O ATOM 918 CB SER A 62 4.000 -9.795 -2.330 1.00 0.00 C ATOM 919 OG SER A 62 4.858 -10.050 -1.222 1.00 0.00 O ATOM 0 H SER A 62 2.759 -8.427 -0.655 1.00 0.00 H new ATOM 0 HA SER A 62 4.681 -7.799 -2.661 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.057 -10.323 -2.187 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.453 -10.192 -3.238 1.00 0.00 H new ATOM 0 HG SER A 62 5.008 -11.015 -1.140 1.00 0.00 H new ATOM 925 N HIS A 63 1.633 -7.584 -3.469 1.00 0.00 N ATOM 926 CA HIS A 63 0.684 -7.314 -4.535 1.00 0.00 C ATOM 927 C HIS A 63 0.721 -5.826 -4.891 1.00 0.00 C ATOM 928 O HIS A 63 0.224 -5.423 -5.941 1.00 0.00 O ATOM 929 CB HIS A 63 -0.717 -7.796 -4.151 1.00 0.00 C ATOM 930 CG HIS A 63 -0.986 -9.241 -4.500 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.710 -9.620 -5.617 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.620 -10.393 -3.869 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.771 -10.943 -5.646 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.096 -11.420 -4.562 1.00 0.00 N ATOM 0 H HIS A 63 1.293 -7.372 -2.531 1.00 0.00 H new ATOM 0 HA HIS A 63 0.966 -7.873 -5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.856 -7.660 -3.078 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.456 -7.169 -4.650 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.126 -8.988 -6.301 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.041 -10.459 -2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.268 -11.539 -6.397 1.00 0.00 H new ATOM 942 N VAL A 64 1.316 -5.052 -3.995 1.00 0.00 N ATOM 943 CA VAL A 64 1.425 -3.617 -4.201 1.00 0.00 C ATOM 944 C VAL A 64 2.892 -3.199 -4.083 1.00 0.00 C ATOM 945 O VAL A 64 3.746 -4.012 -3.731 1.00 0.00 O ATOM 946 CB VAL A 64 0.512 -2.877 -3.222 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.836 -3.588 -3.085 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.187 -2.714 -1.859 1.00 0.00 C ATOM 0 H VAL A 64 1.727 -5.391 -3.125 1.00 0.00 H new ATOM 0 HA VAL A 64 1.090 -3.349 -5.203 1.00 0.00 H new ATOM 0 HB VAL A 64 0.326 -1.881 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.466 -3.041 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.327 -3.628 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.677 -4.601 -2.716 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.517 -2.185 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.417 -3.697 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.109 -2.144 -1.975 1.00 0.00 H new ATOM 958 N LYS A 65 3.139 -1.933 -4.385 1.00 0.00 N ATOM 959 CA LYS A 65 4.488 -1.398 -4.317 1.00 0.00 C ATOM 960 C LYS A 65 4.453 -0.020 -3.654 1.00 0.00 C ATOM 961 O LYS A 65 3.614 0.814 -3.991 1.00 0.00 O ATOM 962 CB LYS A 65 5.135 -1.396 -5.704 1.00 0.00 C ATOM 963 CG LYS A 65 4.730 -0.151 -6.496 1.00 0.00 C ATOM 964 CD LYS A 65 5.416 -0.124 -7.863 1.00 0.00 C ATOM 965 CE LYS A 65 6.132 1.209 -8.091 1.00 0.00 C ATOM 966 NZ LYS A 65 5.853 1.722 -9.451 1.00 0.00 N ATOM 0 H LYS A 65 2.428 -1.262 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 65 5.119 -2.035 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.220 -1.430 -5.603 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.837 -2.291 -6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.648 -0.135 -6.628 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.996 0.744 -5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.133 -0.942 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.677 -0.283 -8.648 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.805 1.936 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.206 1.079 -7.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.347 2.627 -9.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.187 1.035 -10.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.829 1.865 -9.565 1.00 0.00 H new ATOM 980 N LEU A 66 5.374 0.177 -2.721 1.00 0.00 N ATOM 981 CA LEU A 66 5.458 1.439 -2.007 1.00 0.00 C ATOM 982 C LEU A 66 5.907 2.538 -2.973 1.00 0.00 C ATOM 983 O LEU A 66 6.845 2.345 -3.746 1.00 0.00 O ATOM 984 CB LEU A 66 6.355 1.300 -0.776 1.00 0.00 C ATOM 985 CG LEU A 66 5.638 1.037 0.550 1.00 0.00 C ATOM 986 CD1 LEU A 66 6.633 0.987 1.711 1.00 0.00 C ATOM 987 CD2 LEU A 66 4.531 2.066 0.788 1.00 0.00 C ATOM 0 H LEU A 66 6.068 -0.517 -2.444 1.00 0.00 H new ATOM 0 HA LEU A 66 4.478 1.727 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.058 0.486 -0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 66 6.942 2.213 -0.674 1.00 0.00 H new ATOM 0 HG LEU A 66 5.161 0.058 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.097 0.799 2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.353 0.187 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.158 1.939 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.037 1.856 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.964 3.066 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.802 2.010 -0.020 1.00 0.00 H new ATOM 999 N LEU A 67 5.216 3.666 -2.899 1.00 0.00 N ATOM 1000 CA LEU A 67 5.532 4.795 -3.757 1.00 0.00 C ATOM 1001 C LEU A 67 6.613 5.649 -3.092 1.00 0.00 C ATOM 1002 O LEU A 67 6.880 6.768 -3.527 1.00 0.00 O ATOM 1003 CB LEU A 67 4.262 5.573 -4.107 1.00 0.00 C ATOM 1004 CG LEU A 67 3.329 4.912 -5.123 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.373 5.937 -5.738 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.126 4.159 -6.191 1.00 0.00 C ATOM 0 H LEU A 67 4.438 3.822 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 67 5.939 4.449 -4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.702 5.747 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.553 6.550 -4.493 1.00 0.00 H new ATOM 0 HG LEU A 67 2.719 4.177 -4.598 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.721 5.441 -6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.769 6.389 -4.951 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.948 6.712 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.439 3.698 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.778 4.856 -6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.730 3.385 -5.716 1.00 0.00 H new ATOM 1018 N GLY A 68 7.206 5.088 -2.048 1.00 0.00 N ATOM 1019 CA GLY A 68 8.252 5.785 -1.318 1.00 0.00 C ATOM 1020 C GLY A 68 9.522 4.935 -1.236 1.00 0.00 C ATOM 1021 O GLY A 68 9.775 4.288 -0.221 1.00 0.00 O ATOM 0 H GLY A 68 6.982 4.159 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.475 6.732 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.903 6.022 -0.313 1.00 0.00 H new ATOM 1025 N PRO A 69 10.307 4.965 -2.346 1.00 0.00 N ATOM 1026 CA PRO A 69 11.544 4.206 -2.409 1.00 0.00 C ATOM 1027 C PRO A 69 12.639 4.872 -1.575 1.00 0.00 C ATOM 1028 O PRO A 69 13.434 4.191 -0.929 1.00 0.00 O ATOM 1029 CB PRO A 69 11.886 4.132 -3.888 1.00 0.00 C ATOM 1030 CG PRO A 69 11.088 5.240 -4.556 1.00 0.00 C ATOM 1031 CD PRO A 69 10.038 5.720 -3.567 1.00 0.00 C ATOM 0 HA PRO A 69 11.445 3.206 -1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.955 4.269 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.624 3.158 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.744 6.061 -4.845 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.615 4.874 -5.467 1.00 0.00 H new ATOM 0 HD2 PRO A 69 10.118 6.793 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.030 5.530 -3.936 1.00 0.00 H new ATOM 1039 N SER A 70 12.646 6.196 -1.615 1.00 0.00 N ATOM 1040 CA SER A 70 13.631 6.963 -0.871 1.00 0.00 C ATOM 1041 C SER A 70 13.318 8.457 -0.973 1.00 0.00 C ATOM 1042 O SER A 70 13.855 9.149 -1.836 1.00 0.00 O ATOM 1043 CB SER A 70 15.047 6.681 -1.378 1.00 0.00 C ATOM 1044 OG SER A 70 15.793 5.882 -0.464 1.00 0.00 O ATOM 0 H SER A 70 11.985 6.758 -2.151 1.00 0.00 H new ATOM 0 HA SER A 70 13.582 6.659 0.175 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.993 6.174 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.567 7.624 -1.543 1.00 0.00 H new ATOM 0 HG SER A 70 15.305 5.052 -0.282 1.00 0.00 H new ATOM 1050 N SER A 71 12.451 8.910 -0.080 1.00 0.00 N ATOM 1051 CA SER A 71 12.060 10.309 -0.059 1.00 0.00 C ATOM 1052 C SER A 71 13.088 11.128 0.724 1.00 0.00 C ATOM 1053 O SER A 71 13.393 10.813 1.873 1.00 0.00 O ATOM 1054 CB SER A 71 10.667 10.483 0.551 1.00 0.00 C ATOM 1055 OG SER A 71 10.357 11.853 0.791 1.00 0.00 O ATOM 0 H SER A 71 12.008 8.333 0.635 1.00 0.00 H new ATOM 0 HA SER A 71 12.024 10.669 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.922 10.055 -0.119 1.00 0.00 H new ATOM 0 HB3 SER A 71 10.610 9.929 1.488 1.00 0.00 H new ATOM 0 HG SER A 71 9.460 11.922 1.179 1.00 0.00 H new ATOM 1061 N GLU A 72 13.594 12.163 0.070 1.00 0.00 N ATOM 1062 CA GLU A 72 14.582 13.030 0.690 1.00 0.00 C ATOM 1063 C GLU A 72 14.168 14.496 0.546 1.00 0.00 C ATOM 1064 O GLU A 72 14.490 15.140 -0.451 1.00 0.00 O ATOM 1065 CB GLU A 72 15.971 12.791 0.096 1.00 0.00 C ATOM 1066 CG GLU A 72 16.883 12.083 1.100 1.00 0.00 C ATOM 1067 CD GLU A 72 18.108 11.487 0.402 1.00 0.00 C ATOM 1068 OE1 GLU A 72 18.852 12.280 -0.214 1.00 0.00 O ATOM 1069 OE2 GLU A 72 18.272 10.252 0.502 1.00 0.00 O ATOM 0 H GLU A 72 13.338 12.421 -0.883 1.00 0.00 H new ATOM 0 HA GLU A 72 14.631 12.790 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 72 15.885 12.190 -0.809 1.00 0.00 H new ATOM 0 HB3 GLU A 72 16.415 13.743 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.204 12.789 1.866 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.328 11.293 1.607 1.00 0.00 H new ATOM 1076 N ARG A 73 13.460 14.980 1.556 1.00 0.00 N ATOM 1077 CA ARG A 73 12.998 16.357 1.553 1.00 0.00 C ATOM 1078 C ARG A 73 12.115 16.619 0.332 1.00 0.00 C ATOM 1079 O ARG A 73 12.604 17.049 -0.712 1.00 0.00 O ATOM 1080 CB ARG A 73 14.177 17.333 1.540 1.00 0.00 C ATOM 1081 CG ARG A 73 15.059 17.144 2.775 1.00 0.00 C ATOM 1082 CD ARG A 73 16.362 17.936 2.645 1.00 0.00 C ATOM 1083 NE ARG A 73 16.325 19.119 3.534 1.00 0.00 N ATOM 1084 CZ ARG A 73 15.785 20.297 3.194 1.00 0.00 C ATOM 1085 NH1 ARG A 73 15.233 20.457 1.983 1.00 0.00 N ATOM 1086 NH2 ARG A 73 15.797 21.316 4.064 1.00 0.00 N ATOM 0 H ARG A 73 13.195 14.443 2.382 1.00 0.00 H new ATOM 0 HA ARG A 73 12.420 16.514 2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 73 14.770 17.180 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 73 13.805 18.357 1.507 1.00 0.00 H new ATOM 0 HG2 ARG A 73 14.519 17.468 3.665 1.00 0.00 H new ATOM 0 HG3 ARG A 73 15.284 16.086 2.907 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.210 17.302 2.904 1.00 0.00 H new ATOM 0 HD3 ARG A 73 16.504 18.252 1.611 1.00 0.00 H new ATOM 0 HE ARG A 73 16.736 19.032 4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.224 19.682 1.320 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.822 21.354 1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.217 21.195 4.985 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.386 22.213 3.805 1.00 0.00 H new ATOM 1100 N ALA A 74 10.829 16.350 0.503 1.00 0.00 N ATOM 1101 CA ALA A 74 9.872 16.551 -0.572 1.00 0.00 C ATOM 1102 C ALA A 74 9.729 18.049 -0.848 1.00 0.00 C ATOM 1103 O ALA A 74 8.971 18.739 -0.169 1.00 0.00 O ATOM 1104 CB ALA A 74 8.540 15.896 -0.200 1.00 0.00 C ATOM 0 H ALA A 74 10.427 15.994 1.370 1.00 0.00 H new ATOM 0 HA ALA A 74 10.221 16.079 -1.490 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.823 16.047 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.691 14.828 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.156 16.346 0.716 1.00 0.00 H new ATOM 1110 N SER A 75 10.470 18.508 -1.846 1.00 0.00 N ATOM 1111 CA SER A 75 10.435 19.911 -2.220 1.00 0.00 C ATOM 1112 C SER A 75 10.369 20.785 -0.967 1.00 0.00 C ATOM 1113 O SER A 75 9.284 21.105 -0.484 1.00 0.00 O ATOM 1114 CB SER A 75 9.246 20.207 -3.137 1.00 0.00 C ATOM 1115 OG SER A 75 9.641 20.334 -4.500 1.00 0.00 O ATOM 0 H SER A 75 11.098 17.933 -2.407 1.00 0.00 H new ATOM 0 HA SER A 75 11.348 20.142 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.510 19.408 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.759 21.127 -2.814 1.00 0.00 H new ATOM 0 HG SER A 75 8.854 20.521 -5.053 1.00 0.00 H new ATOM 1121 N GLY A 76 11.545 21.147 -0.474 1.00 0.00 N ATOM 1122 CA GLY A 76 11.635 21.978 0.714 1.00 0.00 C ATOM 1123 C GLY A 76 11.322 23.439 0.387 1.00 0.00 C ATOM 1124 O GLY A 76 10.191 23.889 0.561 1.00 0.00 O ATOM 0 H GLY A 76 12.443 20.880 -0.876 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.939 21.614 1.470 1.00 0.00 H new ATOM 0 HA3 GLY A 76 12.636 21.903 1.139 1.00 0.00 H new ATOM 1128 N PRO A 77 12.372 24.158 -0.095 1.00 0.00 N ATOM 1129 CA PRO A 77 12.220 25.559 -0.448 1.00 0.00 C ATOM 1130 C PRO A 77 11.464 25.712 -1.770 1.00 0.00 C ATOM 1131 O PRO A 77 11.749 25.008 -2.737 1.00 0.00 O ATOM 1132 CB PRO A 77 13.637 26.106 -0.507 1.00 0.00 C ATOM 1133 CG PRO A 77 14.545 24.895 -0.643 1.00 0.00 C ATOM 1134 CD PRO A 77 13.726 23.657 -0.314 1.00 0.00 C ATOM 0 HA PRO A 77 11.624 26.113 0.277 1.00 0.00 H new ATOM 0 HB2 PRO A 77 13.760 26.783 -1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 77 13.875 26.673 0.393 1.00 0.00 H new ATOM 0 HG2 PRO A 77 14.945 24.830 -1.655 1.00 0.00 H new ATOM 0 HG3 PRO A 77 15.397 24.979 0.032 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.754 22.935 -1.130 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.110 23.152 0.572 1.00 0.00 H new ATOM 1142 N SER A 78 10.515 26.637 -1.768 1.00 0.00 N ATOM 1143 CA SER A 78 9.716 26.891 -2.955 1.00 0.00 C ATOM 1144 C SER A 78 8.706 28.006 -2.677 1.00 0.00 C ATOM 1145 O SER A 78 8.740 29.054 -3.320 1.00 0.00 O ATOM 1146 CB SER A 78 8.994 25.623 -3.415 1.00 0.00 C ATOM 1147 OG SER A 78 9.573 25.078 -4.598 1.00 0.00 O ATOM 0 H SER A 78 10.282 27.219 -0.964 1.00 0.00 H new ATOM 0 HA SER A 78 10.384 27.206 -3.756 1.00 0.00 H new ATOM 0 HB2 SER A 78 9.026 24.879 -2.619 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.943 25.850 -3.597 1.00 0.00 H new ATOM 0 HG SER A 78 10.515 24.866 -4.433 1.00 0.00 H new ATOM 1153 N SER A 79 7.831 27.742 -1.718 1.00 0.00 N ATOM 1154 CA SER A 79 6.813 28.710 -1.346 1.00 0.00 C ATOM 1155 C SER A 79 7.466 29.936 -0.705 1.00 0.00 C ATOM 1156 O SER A 79 7.509 30.052 0.519 1.00 0.00 O ATOM 1157 CB SER A 79 5.789 28.093 -0.391 1.00 0.00 C ATOM 1158 OG SER A 79 4.466 28.151 -0.918 1.00 0.00 O ATOM 0 H SER A 79 7.806 26.871 -1.187 1.00 0.00 H new ATOM 0 HA SER A 79 6.287 29.018 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.056 27.055 -0.195 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.822 28.617 0.564 1.00 0.00 H new ATOM 0 HG SER A 79 3.842 27.746 -0.280 1.00 0.00 H new ATOM 1164 N GLY A 80 7.958 30.820 -1.560 1.00 0.00 N ATOM 1165 CA GLY A 80 8.607 32.033 -1.092 1.00 0.00 C ATOM 1166 C GLY A 80 9.876 31.707 -0.302 1.00 0.00 C ATOM 1167 O GLY A 80 10.410 32.562 0.403 1.00 0.00 O ATOM 0 H GLY A 80 7.920 30.721 -2.574 1.00 0.00 H new ATOM 0 HA2 GLY A 80 8.857 32.667 -1.943 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.919 32.599 -0.464 1.00 0.00 H new TER 1171 GLY A 80