USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 409 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 41 GLN : amide:sc= -4.19! K(o=-9.6!,f=-4.4) USER MOD Set 1.2: A 51 GLN : amide:sc= -5.88! K(o=-9.6!,f=-4.4) USER MOD Set 1.3: A 55 TYR OH : rot 24:sc= 0.474 USER MOD Set 2.1: A 1 PHE N :NH3+ -157:sc= -7.01! (180deg=-0.261) USER MOD Set 2.2: A 4 GLN : amide:sc= -6.05! C(o=-13!,f=-3.3!) USER MOD Single : A 3 ASN : amide:sc= -1.02 K(o=-1,f=-4!) USER MOD Single : A 5 HIS : no HE2:sc= -1.13! C(o=-1.1!,f=-2.3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 173:sc= -6.42! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0595 USER MOD Single : A 44 HIS : no HE2:sc= -0.938! C(o=-0.94!,f=-6.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0647 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0716 X(o=-0.072,f=-0.14!) USER MOD Single : A 57 ASN : amide:sc= -2.32! C(o=-2.3!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -6.016 -12.215 2.808 1.00 0.00 N ATOM 2 CA PHE A 1 -5.770 -11.446 1.556 1.00 0.00 C ATOM 3 C PHE A 1 -6.696 -11.981 0.459 1.00 0.00 C ATOM 4 O PHE A 1 -6.367 -11.958 -0.710 1.00 0.00 O ATOM 5 CB PHE A 1 -4.304 -11.640 1.137 1.00 0.00 C ATOM 6 CG PHE A 1 -3.804 -10.568 0.196 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.662 -9.673 -0.455 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.428 -10.484 -0.020 1.00 0.00 C ATOM 9 CE1 PHE A 1 -4.134 -8.712 -1.310 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.905 -9.521 -0.871 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.753 -8.633 -1.518 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.715 -11.650 3.627 1.00 0.00 H new ATOM 0 H2 PHE A 1 -7.030 -12.430 2.890 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.475 -13.103 2.782 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.967 -10.386 1.715 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.677 -11.652 2.029 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -4.196 -12.613 0.658 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.728 -9.729 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.764 -11.174 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.794 -8.023 -1.816 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.838 -9.462 -1.030 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.348 -7.883 -2.181 1.00 0.00 H new ATOM 23 N VAL A 2 -7.842 -12.487 0.835 1.00 0.00 N ATOM 24 CA VAL A 2 -8.791 -13.059 -0.170 1.00 0.00 C ATOM 25 C VAL A 2 -9.932 -12.072 -0.462 1.00 0.00 C ATOM 26 O VAL A 2 -9.832 -11.236 -1.339 1.00 0.00 O ATOM 27 CB VAL A 2 -9.369 -14.362 0.412 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.418 -15.529 0.119 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.534 -14.216 1.934 1.00 0.00 C ATOM 0 H VAL A 2 -8.164 -12.529 1.802 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.265 -13.253 -1.105 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.338 -14.559 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.832 -16.448 0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.298 -15.638 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.448 -15.331 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.943 -15.139 2.346 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.563 -14.015 2.388 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.213 -13.390 2.149 1.00 0.00 H new ATOM 39 N ASN A 3 -11.019 -12.178 0.259 1.00 0.00 N ATOM 40 CA ASN A 3 -12.188 -11.269 0.030 1.00 0.00 C ATOM 41 C ASN A 3 -12.218 -10.179 1.097 1.00 0.00 C ATOM 42 O ASN A 3 -13.257 -9.634 1.412 1.00 0.00 O ATOM 43 CB ASN A 3 -13.486 -12.078 0.097 1.00 0.00 C ATOM 44 CG ASN A 3 -13.362 -13.324 -0.779 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.594 -14.215 -0.484 1.00 0.00 O ATOM 46 ND2 ASN A 3 -14.096 -13.424 -1.849 1.00 0.00 N ATOM 0 H ASN A 3 -11.150 -12.862 1.005 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.092 -10.808 -0.953 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.694 -12.365 1.128 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.324 -11.467 -0.239 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -14.026 -14.252 -2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.742 -12.674 -2.096 1.00 0.00 H new ATOM 53 N GLN A 4 -11.089 -9.861 1.662 1.00 0.00 N ATOM 54 CA GLN A 4 -11.040 -8.809 2.720 1.00 0.00 C ATOM 55 C GLN A 4 -10.654 -7.467 2.092 1.00 0.00 C ATOM 56 O GLN A 4 -10.119 -7.404 1.003 1.00 0.00 O ATOM 57 CB GLN A 4 -10.014 -9.214 3.794 1.00 0.00 C ATOM 58 CG GLN A 4 -8.900 -10.062 3.168 1.00 0.00 C ATOM 59 CD GLN A 4 -7.867 -10.421 4.235 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.222 -9.555 4.793 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.684 -11.675 4.545 1.00 0.00 N ATOM 0 H GLN A 4 -10.190 -10.286 1.436 1.00 0.00 H new ATOM 0 HA GLN A 4 -12.020 -8.708 3.186 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.588 -8.323 4.255 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.508 -9.777 4.586 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.320 -10.970 2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.423 -9.512 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.226 -12.401 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.999 -11.930 5.256 1.00 0.00 H new ATOM 70 N HIS A 5 -10.947 -6.391 2.772 1.00 0.00 N ATOM 71 CA HIS A 5 -10.633 -5.036 2.234 1.00 0.00 C ATOM 72 C HIS A 5 -9.264 -4.565 2.730 1.00 0.00 C ATOM 73 O HIS A 5 -8.929 -4.698 3.890 1.00 0.00 O ATOM 74 CB HIS A 5 -11.701 -4.056 2.719 1.00 0.00 C ATOM 75 CG HIS A 5 -11.732 -4.050 4.222 1.00 0.00 C ATOM 76 ND1 HIS A 5 -11.229 -2.992 4.968 1.00 0.00 N ATOM 77 CD2 HIS A 5 -12.204 -4.962 5.134 1.00 0.00 C ATOM 78 CE1 HIS A 5 -11.408 -3.291 6.269 1.00 0.00 C ATOM 79 NE2 HIS A 5 -11.997 -4.477 6.420 1.00 0.00 N ATOM 0 H HIS A 5 -11.396 -6.394 3.688 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.617 -5.080 1.145 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.487 -3.055 2.345 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.677 -4.341 2.326 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -10.802 -2.143 4.598 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -12.664 -5.908 4.890 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -11.112 -2.651 7.087 1.00 0.00 H new ATOM 87 N LEU A 6 -8.476 -4.000 1.852 1.00 0.00 N ATOM 88 CA LEU A 6 -7.127 -3.495 2.248 1.00 0.00 C ATOM 89 C LEU A 6 -7.231 -1.989 2.515 1.00 0.00 C ATOM 90 O LEU A 6 -7.700 -1.234 1.687 1.00 0.00 O ATOM 91 CB LEU A 6 -6.128 -3.743 1.096 1.00 0.00 C ATOM 92 CG LEU A 6 -5.406 -5.111 1.229 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.301 -6.191 1.858 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.974 -5.581 -0.163 1.00 0.00 C ATOM 0 H LEU A 6 -8.712 -3.866 0.869 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.780 -4.012 3.143 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.657 -3.705 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.387 -2.943 1.081 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.548 -4.967 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.747 -7.127 1.928 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.606 -5.875 2.855 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.185 -6.338 1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.465 -6.542 -0.081 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.852 -5.688 -0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.296 -4.848 -0.600 1.00 0.00 H new ATOM 106 N CYS A 7 -6.788 -1.548 3.661 1.00 0.00 N ATOM 107 CA CYS A 7 -6.851 -0.091 3.982 1.00 0.00 C ATOM 108 C CYS A 7 -5.602 0.309 4.768 1.00 0.00 C ATOM 109 O CYS A 7 -5.289 -0.264 5.793 1.00 0.00 O ATOM 110 CB CYS A 7 -8.096 0.191 4.825 1.00 0.00 C ATOM 111 SG CYS A 7 -9.573 -0.285 3.893 1.00 0.00 S ATOM 0 H CYS A 7 -6.384 -2.134 4.391 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.900 0.485 3.058 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.048 -0.365 5.761 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.141 1.249 5.084 1.00 0.00 H new ATOM 116 N GLY A 8 -4.890 1.294 4.296 1.00 0.00 N ATOM 117 CA GLY A 8 -3.662 1.742 5.015 1.00 0.00 C ATOM 118 C GLY A 8 -2.551 0.694 4.875 1.00 0.00 C ATOM 119 O GLY A 8 -2.462 -0.005 3.885 1.00 0.00 O ATOM 0 H GLY A 8 -5.105 1.810 3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.324 2.696 4.611 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.888 1.904 6.069 1.00 0.00 H new ATOM 123 N SER A 9 -1.699 0.590 5.862 1.00 0.00 N ATOM 124 CA SER A 9 -0.581 -0.399 5.802 1.00 0.00 C ATOM 125 C SER A 9 -1.095 -1.751 5.303 1.00 0.00 C ATOM 126 O SER A 9 -0.377 -2.493 4.662 1.00 0.00 O ATOM 127 CB SER A 9 0.020 -0.568 7.198 1.00 0.00 C ATOM 128 OG SER A 9 0.701 0.624 7.564 1.00 0.00 O ATOM 0 H SER A 9 -1.730 1.152 6.713 1.00 0.00 H new ATOM 0 HA SER A 9 0.180 -0.034 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.766 -0.788 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.709 -1.412 7.210 1.00 0.00 H new ATOM 0 HG SER A 9 1.086 0.519 8.459 1.00 0.00 H new ATOM 134 N ASP A 10 -2.328 -2.084 5.581 1.00 0.00 N ATOM 135 CA ASP A 10 -2.866 -3.390 5.109 1.00 0.00 C ATOM 136 C ASP A 10 -2.538 -3.550 3.625 1.00 0.00 C ATOM 137 O ASP A 10 -2.002 -4.554 3.198 1.00 0.00 O ATOM 138 CB ASP A 10 -4.386 -3.415 5.308 1.00 0.00 C ATOM 139 CG ASP A 10 -4.709 -3.718 6.773 1.00 0.00 C ATOM 140 OD1 ASP A 10 -3.821 -3.575 7.597 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.839 -4.087 7.046 1.00 0.00 O ATOM 0 H ASP A 10 -2.982 -1.510 6.112 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.417 -4.206 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.816 -2.455 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.835 -4.170 4.663 1.00 0.00 H new ATOM 146 N LEU A 11 -2.851 -2.560 2.838 1.00 0.00 N ATOM 147 CA LEU A 11 -2.553 -2.644 1.385 1.00 0.00 C ATOM 148 C LEU A 11 -1.060 -2.930 1.192 1.00 0.00 C ATOM 149 O LEU A 11 -0.680 -3.866 0.517 1.00 0.00 O ATOM 150 CB LEU A 11 -2.912 -1.311 0.707 1.00 0.00 C ATOM 151 CG LEU A 11 -2.430 -1.308 -0.750 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.914 -2.556 -1.471 1.00 0.00 C ATOM 153 CD2 LEU A 11 -2.986 -0.083 -1.478 1.00 0.00 C ATOM 0 H LEU A 11 -3.301 -1.696 3.140 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.141 -3.445 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.991 -1.157 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.455 -0.484 1.250 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.340 -1.284 -0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.564 -2.539 -2.503 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.522 -3.441 -0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.004 -2.584 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.640 -0.086 -2.512 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.075 -0.112 -1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.639 0.824 -0.982 1.00 0.00 H new ATOM 165 N VAL A 12 -0.213 -2.124 1.775 1.00 0.00 N ATOM 166 CA VAL A 12 1.256 -2.340 1.620 1.00 0.00 C ATOM 167 C VAL A 12 1.593 -3.813 1.854 1.00 0.00 C ATOM 168 O VAL A 12 2.020 -4.511 0.957 1.00 0.00 O ATOM 169 CB VAL A 12 2.014 -1.490 2.645 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.514 -1.522 2.331 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.518 -0.043 2.584 1.00 0.00 C ATOM 0 H VAL A 12 -0.475 -1.325 2.352 1.00 0.00 H new ATOM 0 HA VAL A 12 1.549 -2.052 0.610 1.00 0.00 H new ATOM 0 HB VAL A 12 1.839 -1.893 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.052 -0.917 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.873 -2.550 2.377 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.685 -1.122 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.059 0.558 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.689 0.358 1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.452 -0.014 2.809 1.00 0.00 H new ATOM 181 N GLU A 13 1.411 -4.290 3.056 1.00 0.00 N ATOM 182 CA GLU A 13 1.731 -5.717 3.344 1.00 0.00 C ATOM 183 C GLU A 13 1.118 -6.601 2.263 1.00 0.00 C ATOM 184 O GLU A 13 1.600 -7.678 1.984 1.00 0.00 O ATOM 185 CB GLU A 13 1.155 -6.107 4.705 1.00 0.00 C ATOM 186 CG GLU A 13 1.766 -5.222 5.794 1.00 0.00 C ATOM 187 CD GLU A 13 1.466 -5.821 7.169 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.534 -6.602 7.262 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.174 -5.489 8.105 1.00 0.00 O ATOM 0 H GLU A 13 1.056 -3.755 3.848 1.00 0.00 H new ATOM 0 HA GLU A 13 2.813 -5.850 3.357 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.071 -5.996 4.698 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.366 -7.156 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.843 -5.140 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.358 -4.213 5.729 1.00 0.00 H new ATOM 196 N ALA A 14 0.059 -6.152 1.650 1.00 0.00 N ATOM 197 CA ALA A 14 -0.583 -6.967 0.584 1.00 0.00 C ATOM 198 C ALA A 14 0.190 -6.777 -0.729 1.00 0.00 C ATOM 199 O ALA A 14 0.637 -7.731 -1.330 1.00 0.00 O ATOM 200 CB ALA A 14 -2.058 -6.541 0.439 1.00 0.00 C ATOM 0 H ALA A 14 -0.389 -5.256 1.842 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.559 -8.025 0.844 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.533 -7.135 -0.341 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.577 -6.701 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.107 -5.485 0.172 1.00 0.00 H new ATOM 206 N LEU A 15 0.373 -5.565 -1.182 1.00 0.00 N ATOM 207 CA LEU A 15 1.135 -5.386 -2.450 1.00 0.00 C ATOM 208 C LEU A 15 2.464 -6.141 -2.332 1.00 0.00 C ATOM 209 O LEU A 15 2.976 -6.673 -3.295 1.00 0.00 O ATOM 210 CB LEU A 15 1.432 -3.903 -2.711 1.00 0.00 C ATOM 211 CG LEU A 15 0.172 -3.173 -3.233 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.279 -1.667 -2.940 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.045 -3.355 -4.752 1.00 0.00 C ATOM 0 H LEU A 15 0.036 -4.710 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 15 0.537 -5.771 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.777 -3.430 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.238 -3.812 -3.439 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.699 -3.595 -2.732 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.612 -1.160 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.365 -1.511 -1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.160 -1.261 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.846 -2.837 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.926 -2.941 -5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.036 -4.417 -4.986 1.00 0.00 H new ATOM 225 N TYR A 16 3.028 -6.180 -1.153 1.00 0.00 N ATOM 226 CA TYR A 16 4.326 -6.888 -0.972 1.00 0.00 C ATOM 227 C TYR A 16 4.249 -8.297 -1.575 1.00 0.00 C ATOM 228 O TYR A 16 5.104 -8.686 -2.343 1.00 0.00 O ATOM 229 CB TYR A 16 4.664 -6.960 0.517 1.00 0.00 C ATOM 230 CG TYR A 16 5.940 -7.751 0.707 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.143 -7.282 0.165 1.00 0.00 C ATOM 232 CD2 TYR A 16 5.919 -8.950 1.424 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.323 -8.014 0.342 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.098 -9.683 1.602 1.00 0.00 C ATOM 235 CZ TYR A 16 8.301 -9.215 1.060 1.00 0.00 C ATOM 236 OH TYR A 16 9.464 -9.937 1.235 1.00 0.00 O ATOM 0 H TYR A 16 2.645 -5.752 -0.310 1.00 0.00 H new ATOM 0 HA TYR A 16 5.113 -6.338 -1.488 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.782 -5.955 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.847 -7.431 1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.160 -6.355 -0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.991 -9.312 1.842 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.251 -7.652 -0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.080 -10.609 2.157 1.00 0.00 H new ATOM 0 HH TYR A 16 9.273 -10.744 1.757 1.00 0.00 H new ATOM 246 N LEU A 17 3.239 -9.067 -1.257 1.00 0.00 N ATOM 247 CA LEU A 17 3.151 -10.435 -1.851 1.00 0.00 C ATOM 248 C LEU A 17 2.876 -10.302 -3.345 1.00 0.00 C ATOM 249 O LEU A 17 3.540 -10.894 -4.172 1.00 0.00 O ATOM 250 CB LEU A 17 1.993 -11.229 -1.240 1.00 0.00 C ATOM 251 CG LEU A 17 2.169 -11.398 0.277 1.00 0.00 C ATOM 252 CD1 LEU A 17 1.902 -10.068 1.001 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.182 -12.469 0.774 1.00 0.00 C ATOM 0 H LEU A 17 2.482 -8.813 -0.622 1.00 0.00 H new ATOM 0 HA LEU A 17 4.090 -10.953 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.052 -10.718 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.933 -12.209 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 17 3.193 -11.705 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.031 -10.206 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.603 -9.313 0.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.882 -9.741 0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.297 -12.598 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.162 -12.154 0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.387 -13.414 0.271 1.00 0.00 H new ATOM 265 N VAL A 18 1.884 -9.530 -3.686 1.00 0.00 N ATOM 266 CA VAL A 18 1.528 -9.347 -5.118 1.00 0.00 C ATOM 267 C VAL A 18 2.777 -8.982 -5.918 1.00 0.00 C ATOM 268 O VAL A 18 3.144 -9.652 -6.863 1.00 0.00 O ATOM 269 CB VAL A 18 0.508 -8.209 -5.234 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.031 -8.070 -6.672 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.699 -8.496 -4.344 1.00 0.00 C ATOM 0 H VAL A 18 1.300 -9.014 -3.028 1.00 0.00 H new ATOM 0 HA VAL A 18 1.106 -10.272 -5.510 1.00 0.00 H new ATOM 0 HB VAL A 18 0.991 -7.284 -4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.693 -7.258 -6.738 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.881 -7.852 -7.318 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.438 -9.001 -6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.418 -7.682 -4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.167 -9.430 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.374 -8.582 -3.307 1.00 0.00 H new ATOM 281 N CYS A 19 3.415 -7.910 -5.558 1.00 0.00 N ATOM 282 CA CYS A 19 4.625 -7.474 -6.304 1.00 0.00 C ATOM 283 C CYS A 19 5.821 -8.339 -5.909 1.00 0.00 C ATOM 284 O CYS A 19 6.776 -8.473 -6.646 1.00 0.00 O ATOM 285 CB CYS A 19 4.904 -6.014 -5.959 1.00 0.00 C ATOM 286 SG CYS A 19 3.339 -5.108 -5.861 1.00 0.00 S ATOM 0 H CYS A 19 3.151 -7.312 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 19 4.460 -7.580 -7.376 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.435 -5.949 -5.009 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.549 -5.567 -6.716 1.00 0.00 H new ATOM 291 N GLY A 20 5.771 -8.930 -4.755 1.00 0.00 N ATOM 292 CA GLY A 20 6.900 -9.795 -4.309 1.00 0.00 C ATOM 293 C GLY A 20 8.236 -9.084 -4.543 1.00 0.00 C ATOM 294 O GLY A 20 8.486 -8.018 -4.015 1.00 0.00 O ATOM 0 H GLY A 20 4.996 -8.854 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.788 -10.035 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.882 -10.739 -4.854 1.00 0.00 H new ATOM 298 N GLU A 21 9.101 -9.674 -5.323 1.00 0.00 N ATOM 299 CA GLU A 21 10.428 -9.047 -5.585 1.00 0.00 C ATOM 300 C GLU A 21 10.295 -7.959 -6.648 1.00 0.00 C ATOM 301 O GLU A 21 11.189 -7.160 -6.847 1.00 0.00 O ATOM 302 CB GLU A 21 11.399 -10.115 -6.087 1.00 0.00 C ATOM 303 CG GLU A 21 11.692 -11.104 -4.959 1.00 0.00 C ATOM 304 CD GLU A 21 12.724 -12.130 -5.432 1.00 0.00 C ATOM 305 OE1 GLU A 21 12.520 -12.703 -6.490 1.00 0.00 O ATOM 306 OE2 GLU A 21 13.701 -12.326 -4.729 1.00 0.00 O ATOM 0 H GLU A 21 8.945 -10.566 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 21 10.800 -8.604 -4.661 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.971 -10.638 -6.942 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.324 -9.650 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.067 -10.573 -4.084 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.774 -11.609 -4.657 1.00 0.00 H new ATOM 313 N ARG A 22 9.194 -7.922 -7.340 1.00 0.00 N ATOM 314 CA ARG A 22 9.023 -6.886 -8.395 1.00 0.00 C ATOM 315 C ARG A 22 9.167 -5.495 -7.774 1.00 0.00 C ATOM 316 O ARG A 22 9.558 -4.551 -8.432 1.00 0.00 O ATOM 317 CB ARG A 22 7.635 -7.012 -9.029 1.00 0.00 C ATOM 318 CG ARG A 22 7.433 -8.434 -9.560 1.00 0.00 C ATOM 319 CD ARG A 22 6.016 -8.575 -10.130 1.00 0.00 C ATOM 320 NE ARG A 22 5.969 -7.983 -11.496 1.00 0.00 N ATOM 321 CZ ARG A 22 4.965 -8.246 -12.286 1.00 0.00 C ATOM 322 NH1 ARG A 22 4.003 -9.029 -11.880 1.00 0.00 N ATOM 323 NH2 ARG A 22 4.922 -7.727 -13.483 1.00 0.00 N ATOM 0 H ARG A 22 8.407 -8.561 -7.223 1.00 0.00 H new ATOM 0 HA ARG A 22 9.785 -7.029 -9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.866 -6.777 -8.293 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.530 -6.293 -9.841 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.170 -8.652 -10.333 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.587 -9.157 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.731 -9.626 -10.168 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.299 -8.073 -9.480 1.00 0.00 H new ATOM 0 HE ARG A 22 6.722 -7.372 -11.814 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.036 -9.435 -10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.218 -9.235 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.674 -7.115 -13.801 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.137 -7.933 -14.100 1.00 0.00 H new ATOM 337 N GLY A 23 8.844 -5.356 -6.518 1.00 0.00 N ATOM 338 CA GLY A 23 8.953 -4.020 -5.870 1.00 0.00 C ATOM 339 C GLY A 23 7.786 -3.156 -6.340 1.00 0.00 C ATOM 340 O GLY A 23 7.239 -3.372 -7.404 1.00 0.00 O ATOM 0 H GLY A 23 8.510 -6.107 -5.914 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.935 -4.123 -4.785 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.901 -3.549 -6.130 1.00 0.00 H new ATOM 344 N PHE A 24 7.383 -2.187 -5.564 1.00 0.00 N ATOM 345 CA PHE A 24 6.240 -1.339 -5.987 1.00 0.00 C ATOM 346 C PHE A 24 6.288 0.015 -5.286 1.00 0.00 C ATOM 347 O PHE A 24 7.091 0.252 -4.406 1.00 0.00 O ATOM 348 CB PHE A 24 4.938 -2.052 -5.637 1.00 0.00 C ATOM 349 CG PHE A 24 4.756 -2.093 -4.135 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.273 -3.164 -3.398 1.00 0.00 C ATOM 351 CD2 PHE A 24 4.062 -1.066 -3.483 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.095 -3.210 -2.011 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.886 -1.113 -2.095 1.00 0.00 C ATOM 354 CZ PHE A 24 4.400 -2.185 -1.361 1.00 0.00 C ATOM 0 H PHE A 24 7.795 -1.949 -4.662 1.00 0.00 H new ATOM 0 HA PHE A 24 6.298 -1.172 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.096 -1.537 -6.099 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.950 -3.066 -6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.810 -3.955 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.663 -0.238 -4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.494 -4.037 -1.442 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.353 -0.320 -1.591 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.261 -2.222 -0.291 1.00 0.00 H new ATOM 364 N PHE A 25 5.416 0.897 -5.685 1.00 0.00 N ATOM 365 CA PHE A 25 5.354 2.261 -5.080 1.00 0.00 C ATOM 366 C PHE A 25 3.981 2.464 -4.442 1.00 0.00 C ATOM 367 O PHE A 25 2.970 2.079 -4.994 1.00 0.00 O ATOM 368 CB PHE A 25 5.541 3.303 -6.185 1.00 0.00 C ATOM 369 CG PHE A 25 4.530 3.049 -7.282 1.00 0.00 C ATOM 370 CD1 PHE A 25 3.215 3.521 -7.153 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.905 2.333 -8.426 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.277 3.276 -8.167 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.969 2.090 -9.439 1.00 0.00 C ATOM 374 CZ PHE A 25 2.656 2.560 -9.310 1.00 0.00 C ATOM 0 H PHE A 25 4.729 0.729 -6.420 1.00 0.00 H new ATOM 0 HA PHE A 25 6.135 2.367 -4.327 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.413 4.307 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.553 3.248 -6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.924 4.074 -6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.916 1.968 -8.527 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.265 3.639 -8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.260 1.539 -10.321 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.935 2.370 -10.092 1.00 0.00 H new ATOM 384 N TYR A 26 3.925 3.078 -3.291 1.00 0.00 N ATOM 385 CA TYR A 26 2.601 3.312 -2.652 1.00 0.00 C ATOM 386 C TYR A 26 1.966 4.537 -3.308 1.00 0.00 C ATOM 387 O TYR A 26 2.601 5.241 -4.069 1.00 0.00 O ATOM 388 CB TYR A 26 2.768 3.549 -1.140 1.00 0.00 C ATOM 389 CG TYR A 26 1.466 3.223 -0.434 1.00 0.00 C ATOM 390 CD1 TYR A 26 1.024 1.896 -0.370 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.699 4.242 0.149 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.180 1.592 0.276 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.505 3.933 0.794 1.00 0.00 C ATOM 394 CZ TYR A 26 -0.943 2.609 0.858 1.00 0.00 C ATOM 395 OH TYR A 26 -2.130 2.304 1.493 1.00 0.00 O ATOM 0 H TYR A 26 4.731 3.424 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 26 1.964 2.438 -2.787 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.573 2.926 -0.749 1.00 0.00 H new ATOM 0 HB3 TYR A 26 3.047 4.586 -0.952 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.611 1.108 -0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.037 5.266 0.100 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.521 0.568 0.325 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.095 4.719 1.242 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.534 3.125 1.843 1.00 0.00 H new ATOM 405 N THR A 27 0.723 4.793 -3.037 1.00 0.00 N ATOM 406 CA THR A 27 0.060 5.965 -3.667 1.00 0.00 C ATOM 407 C THR A 27 0.699 7.269 -3.175 1.00 0.00 C ATOM 408 O THR A 27 1.579 7.268 -2.338 1.00 0.00 O ATOM 409 CB THR A 27 -1.427 5.956 -3.332 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.037 7.059 -3.968 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.626 6.049 -1.818 1.00 0.00 C ATOM 0 H THR A 27 0.136 4.244 -2.408 1.00 0.00 H new ATOM 0 HA THR A 27 0.186 5.902 -4.748 1.00 0.00 H new ATOM 0 HB THR A 27 -1.879 5.028 -3.682 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.009 7.004 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.692 6.042 -1.590 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.146 5.198 -1.335 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.182 6.974 -1.449 1.00 0.00 H new ATOM 419 N ASP A 28 0.271 8.381 -3.714 1.00 0.00 N ATOM 420 CA ASP A 28 0.856 9.695 -3.314 1.00 0.00 C ATOM 421 C ASP A 28 0.982 9.769 -1.764 1.00 0.00 C ATOM 422 O ASP A 28 0.184 9.173 -1.068 1.00 0.00 O ATOM 423 CB ASP A 28 -0.065 10.828 -3.837 1.00 0.00 C ATOM 424 CG ASP A 28 0.735 11.830 -4.682 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.480 11.387 -5.542 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.588 13.019 -4.454 1.00 0.00 O ATOM 0 H ASP A 28 -0.464 8.435 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 28 1.851 9.807 -3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.871 10.402 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.530 11.343 -2.996 1.00 0.00 H new ATOM 431 N PRO A 29 1.970 10.503 -1.260 1.00 0.00 N ATOM 432 CA PRO A 29 2.176 10.654 0.202 1.00 0.00 C ATOM 433 C PRO A 29 1.179 11.672 0.787 1.00 0.00 C ATOM 434 O PRO A 29 1.141 11.897 1.980 1.00 0.00 O ATOM 435 CB PRO A 29 3.604 11.217 0.316 1.00 0.00 C ATOM 436 CG PRO A 29 3.922 11.874 -1.048 1.00 0.00 C ATOM 437 CD PRO A 29 2.972 11.232 -2.078 1.00 0.00 C ATOM 0 HA PRO A 29 2.032 9.717 0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.671 11.946 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.318 10.424 0.542 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.772 12.953 -1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.963 11.708 -1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.498 11.987 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.508 10.556 -2.744 1.00 0.00 H new ATOM 445 N THR A 30 0.418 12.324 -0.046 1.00 0.00 N ATOM 446 CA THR A 30 -0.522 13.369 0.462 1.00 0.00 C ATOM 447 C THR A 30 -1.427 12.812 1.565 1.00 0.00 C ATOM 448 O THR A 30 -1.678 13.471 2.555 1.00 0.00 O ATOM 449 CB THR A 30 -1.374 13.877 -0.701 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.240 12.840 -1.142 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.456 14.305 -1.848 1.00 0.00 C ATOM 0 H THR A 30 0.404 12.181 -1.056 1.00 0.00 H new ATOM 0 HA THR A 30 0.059 14.187 0.888 1.00 0.00 H new ATOM 0 HB THR A 30 -1.971 14.729 -0.375 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.788 13.166 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.059 14.668 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.207 15.100 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.139 13.452 -2.176 1.00 0.00 H new ATOM 459 N GLY A 31 -1.912 11.616 1.421 1.00 0.00 N ATOM 460 CA GLY A 31 -2.791 11.044 2.485 1.00 0.00 C ATOM 461 C GLY A 31 -4.120 11.808 2.547 1.00 0.00 C ATOM 462 O GLY A 31 -5.082 11.344 3.128 1.00 0.00 O ATOM 0 H GLY A 31 -1.743 11.008 0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.979 9.990 2.283 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.287 11.098 3.450 1.00 0.00 H new ATOM 466 N GLY A 32 -4.189 12.976 1.955 1.00 0.00 N ATOM 467 CA GLY A 32 -5.463 13.765 1.982 1.00 0.00 C ATOM 468 C GLY A 32 -6.238 13.508 0.692 1.00 0.00 C ATOM 469 O GLY A 32 -7.434 13.709 0.616 1.00 0.00 O ATOM 0 H GLY A 32 -3.418 13.418 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.064 13.479 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.245 14.828 2.084 1.00 0.00 H new ATOM 473 N GLY A 33 -5.559 13.047 -0.314 1.00 0.00 N ATOM 474 CA GLY A 33 -6.223 12.745 -1.608 1.00 0.00 C ATOM 475 C GLY A 33 -5.211 12.055 -2.529 1.00 0.00 C ATOM 476 O GLY A 33 -4.982 12.505 -3.633 1.00 0.00 O ATOM 0 H GLY A 33 -4.556 12.863 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.088 12.102 -1.448 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.589 13.663 -2.068 1.00 0.00 H new ATOM 480 N PRO A 34 -4.620 10.980 -2.045 1.00 0.00 N ATOM 481 CA PRO A 34 -3.617 10.225 -2.819 1.00 0.00 C ATOM 482 C PRO A 34 -4.289 9.515 -4.000 1.00 0.00 C ATOM 483 O PRO A 34 -5.468 9.671 -4.247 1.00 0.00 O ATOM 484 CB PRO A 34 -3.069 9.194 -1.815 1.00 0.00 C ATOM 485 CG PRO A 34 -4.095 9.105 -0.666 1.00 0.00 C ATOM 486 CD PRO A 34 -4.896 10.416 -0.699 1.00 0.00 C ATOM 0 HA PRO A 34 -2.836 10.861 -3.235 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.936 8.223 -2.291 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.093 9.501 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.752 8.245 -0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.594 8.980 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.961 10.235 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.578 11.097 0.091 1.00 0.00 H new ATOM 494 N ARG A 35 -3.543 8.716 -4.712 1.00 0.00 N ATOM 495 CA ARG A 35 -4.130 7.970 -5.858 1.00 0.00 C ATOM 496 C ARG A 35 -5.313 7.148 -5.343 1.00 0.00 C ATOM 497 O ARG A 35 -5.175 5.992 -4.998 1.00 0.00 O ATOM 498 CB ARG A 35 -3.069 7.025 -6.450 1.00 0.00 C ATOM 499 CG ARG A 35 -3.455 6.625 -7.880 1.00 0.00 C ATOM 500 CD ARG A 35 -2.394 5.667 -8.460 1.00 0.00 C ATOM 501 NE ARG A 35 -2.253 5.903 -9.933 1.00 0.00 N ATOM 502 CZ ARG A 35 -3.299 5.966 -10.714 1.00 0.00 C ATOM 503 NH1 ARG A 35 -4.481 5.644 -10.267 1.00 0.00 N ATOM 504 NH2 ARG A 35 -3.152 6.299 -11.967 1.00 0.00 N ATOM 0 H ARG A 35 -2.550 8.548 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.462 8.665 -6.630 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.095 7.515 -6.452 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.977 6.135 -5.828 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.433 6.143 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.537 7.513 -8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.437 5.825 -7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.683 4.633 -8.273 1.00 0.00 H new ATOM 0 HE ARG A 35 -1.322 6.017 -10.334 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.595 5.340 -9.300 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.291 5.696 -10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.223 6.509 -12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.966 6.349 -12.580 1.00 0.00 H new ATOM 518 N ARG A 36 -6.476 7.731 -5.288 1.00 0.00 N ATOM 519 CA ARG A 36 -7.654 6.970 -4.794 1.00 0.00 C ATOM 520 C ARG A 36 -7.864 5.752 -5.694 1.00 0.00 C ATOM 521 O ARG A 36 -8.749 4.950 -5.479 1.00 0.00 O ATOM 522 CB ARG A 36 -8.894 7.871 -4.833 1.00 0.00 C ATOM 523 CG ARG A 36 -8.827 8.773 -6.070 1.00 0.00 C ATOM 524 CD ARG A 36 -10.222 9.311 -6.397 1.00 0.00 C ATOM 525 NE ARG A 36 -11.132 8.173 -6.712 1.00 0.00 N ATOM 526 CZ ARG A 36 -12.423 8.357 -6.735 1.00 0.00 C ATOM 527 NH1 ARG A 36 -12.918 9.538 -6.485 1.00 0.00 N ATOM 528 NH2 ARG A 36 -13.220 7.360 -7.009 1.00 0.00 N ATOM 0 H ARG A 36 -6.661 8.696 -5.562 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.487 6.642 -3.768 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.798 7.263 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.945 8.478 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.141 9.601 -5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.435 8.213 -6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.612 9.879 -5.552 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.170 9.995 -7.244 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.745 7.250 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.295 10.317 -6.272 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.928 9.682 -6.503 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -12.833 6.437 -7.205 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.230 7.504 -7.027 1.00 0.00 H new ATOM 542 N GLY A 37 -7.052 5.609 -6.703 1.00 0.00 N ATOM 543 CA GLY A 37 -7.201 4.448 -7.617 1.00 0.00 C ATOM 544 C GLY A 37 -6.728 3.172 -6.919 1.00 0.00 C ATOM 545 O GLY A 37 -7.151 2.089 -7.263 1.00 0.00 O ATOM 0 H GLY A 37 -6.291 6.248 -6.933 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.243 4.343 -7.919 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.621 4.612 -8.525 1.00 0.00 H new ATOM 549 N ILE A 38 -5.840 3.279 -5.951 1.00 0.00 N ATOM 550 CA ILE A 38 -5.341 2.051 -5.242 1.00 0.00 C ATOM 551 C ILE A 38 -6.029 1.904 -3.869 1.00 0.00 C ATOM 552 O ILE A 38 -6.593 0.873 -3.560 1.00 0.00 O ATOM 553 CB ILE A 38 -3.781 2.130 -5.104 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.111 0.762 -5.412 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.329 2.600 -3.707 1.00 0.00 C ATOM 556 CD1 ILE A 38 -3.906 -0.423 -4.833 1.00 0.00 C ATOM 0 H ILE A 38 -5.442 4.159 -5.624 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.590 1.164 -5.824 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.461 2.870 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.017 0.641 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.101 0.754 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.240 2.636 -3.670 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.732 3.593 -3.509 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.695 1.904 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.397 -1.356 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.977 -0.319 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.908 -0.434 -5.263 1.00 0.00 H new ATOM 568 N VAL A 39 -5.937 2.899 -3.026 1.00 0.00 N ATOM 569 CA VAL A 39 -6.531 2.776 -1.661 1.00 0.00 C ATOM 570 C VAL A 39 -8.047 2.583 -1.721 1.00 0.00 C ATOM 571 O VAL A 39 -8.556 1.565 -1.312 1.00 0.00 O ATOM 572 CB VAL A 39 -6.213 4.034 -0.843 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.426 3.739 0.644 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.754 4.454 -1.082 1.00 0.00 C ATOM 0 H VAL A 39 -5.478 3.789 -3.222 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.094 1.898 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.873 4.844 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.201 4.631 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.463 3.447 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.766 2.928 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.533 5.348 -0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.088 3.647 -0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.605 4.665 -2.141 1.00 0.00 H new ATOM 584 N GLU A 40 -8.777 3.548 -2.202 1.00 0.00 N ATOM 585 CA GLU A 40 -10.262 3.395 -2.245 1.00 0.00 C ATOM 586 C GLU A 40 -10.644 2.128 -3.014 1.00 0.00 C ATOM 587 O GLU A 40 -11.475 1.357 -2.579 1.00 0.00 O ATOM 588 CB GLU A 40 -10.885 4.612 -2.926 1.00 0.00 C ATOM 589 CG GLU A 40 -10.586 5.866 -2.103 1.00 0.00 C ATOM 590 CD GLU A 40 -11.330 7.061 -2.703 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.357 6.843 -3.324 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.859 8.173 -2.531 1.00 0.00 O ATOM 0 H GLU A 40 -8.417 4.430 -2.565 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.636 3.316 -1.224 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.486 4.722 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.962 4.476 -3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.893 5.716 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.513 6.060 -2.093 1.00 0.00 H new ATOM 599 N GLN A 41 -10.057 1.910 -4.156 1.00 0.00 N ATOM 600 CA GLN A 41 -10.404 0.696 -4.950 1.00 0.00 C ATOM 601 C GLN A 41 -10.394 -0.542 -4.052 1.00 0.00 C ATOM 602 O GLN A 41 -11.371 -1.256 -3.954 1.00 0.00 O ATOM 603 CB GLN A 41 -9.385 0.513 -6.078 1.00 0.00 C ATOM 604 CG GLN A 41 -9.916 -0.509 -7.084 1.00 0.00 C ATOM 605 CD GLN A 41 -8.889 -0.721 -8.188 1.00 0.00 C ATOM 606 OE1 GLN A 41 -7.708 -0.834 -7.928 1.00 0.00 O ATOM 607 NE2 GLN A 41 -9.297 -0.781 -9.421 1.00 0.00 N ATOM 0 H GLN A 41 -9.353 2.518 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.401 0.823 -5.372 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.201 1.466 -6.574 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.432 0.176 -5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.125 -1.454 -6.582 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.856 -0.160 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.290 -0.686 -9.635 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.624 -0.923 -10.174 1.00 0.00 H new ATOM 616 N CYS A 42 -9.292 -0.816 -3.412 1.00 0.00 N ATOM 617 CA CYS A 42 -9.214 -2.024 -2.539 1.00 0.00 C ATOM 618 C CYS A 42 -9.761 -1.728 -1.136 1.00 0.00 C ATOM 619 O CYS A 42 -10.229 -2.615 -0.451 1.00 0.00 O ATOM 620 CB CYS A 42 -7.757 -2.468 -2.439 1.00 0.00 C ATOM 621 SG CYS A 42 -7.112 -2.777 -4.100 1.00 0.00 S ATOM 0 H CYS A 42 -8.440 -0.256 -3.455 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.821 -2.815 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.164 -1.700 -1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.681 -3.371 -1.833 1.00 0.00 H new ATOM 626 N CYS A 43 -9.709 -0.499 -0.696 1.00 0.00 N ATOM 627 CA CYS A 43 -10.230 -0.175 0.668 1.00 0.00 C ATOM 628 C CYS A 43 -11.743 0.026 0.601 1.00 0.00 C ATOM 629 O CYS A 43 -12.492 -0.578 1.344 1.00 0.00 O ATOM 630 CB CYS A 43 -9.565 1.102 1.198 1.00 0.00 C ATOM 631 SG CYS A 43 -10.100 1.397 2.904 1.00 0.00 S ATOM 0 H CYS A 43 -9.331 0.292 -1.217 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.000 -1.000 1.342 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.480 1.004 1.157 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.832 1.952 0.570 1.00 0.00 H new ATOM 636 N HIS A 44 -12.201 0.867 -0.284 1.00 0.00 N ATOM 637 CA HIS A 44 -13.667 1.099 -0.396 1.00 0.00 C ATOM 638 C HIS A 44 -14.327 -0.137 -1.005 1.00 0.00 C ATOM 639 O HIS A 44 -15.489 -0.407 -0.775 1.00 0.00 O ATOM 640 CB HIS A 44 -13.929 2.312 -1.288 1.00 0.00 C ATOM 641 CG HIS A 44 -15.372 2.708 -1.176 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.408 1.792 -1.308 1.00 0.00 N ATOM 643 CD2 HIS A 44 -15.968 3.918 -0.943 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.565 2.464 -1.154 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.348 3.760 -0.929 1.00 0.00 N ATOM 0 H HIS A 44 -11.624 1.402 -0.933 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.083 1.286 0.594 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.288 3.142 -0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.684 2.076 -2.324 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -16.310 0.793 -1.489 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -15.446 4.851 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -18.544 2.011 -1.206 1.00 0.00 H new ATOM 653 N SER A 45 -13.591 -0.894 -1.782 1.00 0.00 N ATOM 654 CA SER A 45 -14.166 -2.124 -2.414 1.00 0.00 C ATOM 655 C SER A 45 -13.157 -3.271 -2.308 1.00 0.00 C ATOM 656 O SER A 45 -11.972 -3.056 -2.152 1.00 0.00 O ATOM 657 CB SER A 45 -14.476 -1.844 -3.887 1.00 0.00 C ATOM 658 OG SER A 45 -15.031 -0.541 -4.009 1.00 0.00 O ATOM 0 H SER A 45 -12.613 -0.713 -2.007 1.00 0.00 H new ATOM 0 HA SER A 45 -15.085 -2.403 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.567 -1.922 -4.483 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.175 -2.587 -4.272 1.00 0.00 H new ATOM 0 HG SER A 45 -15.230 -0.357 -4.951 1.00 0.00 H new ATOM 664 N ILE A 46 -13.619 -4.489 -2.390 1.00 0.00 N ATOM 665 CA ILE A 46 -12.696 -5.653 -2.295 1.00 0.00 C ATOM 666 C ILE A 46 -12.054 -5.895 -3.667 1.00 0.00 C ATOM 667 O ILE A 46 -12.651 -6.489 -4.543 1.00 0.00 O ATOM 668 CB ILE A 46 -13.490 -6.907 -1.868 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.582 -6.549 -0.840 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.548 -7.939 -1.252 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.950 -6.100 0.483 1.00 0.00 C ATOM 0 H ILE A 46 -14.602 -4.728 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.921 -5.450 -1.556 1.00 0.00 H new ATOM 0 HB ILE A 46 -13.964 -7.320 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.215 -5.754 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.225 -7.413 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.117 -8.819 -0.954 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.793 -8.226 -1.984 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.060 -7.510 -0.377 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.736 -5.852 1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.337 -6.906 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.327 -5.223 0.309 1.00 0.00 H new ATOM 683 N CYS A 47 -10.843 -5.441 -3.862 1.00 0.00 N ATOM 684 CA CYS A 47 -10.168 -5.650 -5.180 1.00 0.00 C ATOM 685 C CYS A 47 -9.379 -6.960 -5.144 1.00 0.00 C ATOM 686 O CYS A 47 -8.922 -7.392 -4.105 1.00 0.00 O ATOM 687 CB CYS A 47 -9.214 -4.481 -5.463 1.00 0.00 C ATOM 688 SG CYS A 47 -7.692 -4.670 -4.495 1.00 0.00 S ATOM 0 H CYS A 47 -10.292 -4.936 -3.168 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.919 -5.699 -5.969 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.976 -4.445 -6.526 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.699 -3.537 -5.213 1.00 0.00 H new ATOM 693 N SER A 48 -9.208 -7.591 -6.273 1.00 0.00 N ATOM 694 CA SER A 48 -8.439 -8.868 -6.306 1.00 0.00 C ATOM 695 C SER A 48 -6.948 -8.549 -6.423 1.00 0.00 C ATOM 696 O SER A 48 -6.561 -7.438 -6.726 1.00 0.00 O ATOM 697 CB SER A 48 -8.888 -9.703 -7.510 1.00 0.00 C ATOM 698 OG SER A 48 -9.164 -8.837 -8.604 1.00 0.00 O ATOM 0 H SER A 48 -9.568 -7.278 -7.175 1.00 0.00 H new ATOM 0 HA SER A 48 -8.620 -9.434 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.111 -10.417 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.776 -10.281 -7.256 1.00 0.00 H new ATOM 0 HG SER A 48 -9.450 -9.367 -9.377 1.00 0.00 H new ATOM 704 N LEU A 49 -6.110 -9.519 -6.196 1.00 0.00 N ATOM 705 CA LEU A 49 -4.646 -9.278 -6.304 1.00 0.00 C ATOM 706 C LEU A 49 -4.352 -8.744 -7.700 1.00 0.00 C ATOM 707 O LEU A 49 -3.479 -7.924 -7.902 1.00 0.00 O ATOM 708 CB LEU A 49 -3.889 -10.593 -6.089 1.00 0.00 C ATOM 709 CG LEU A 49 -4.366 -11.287 -4.801 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.361 -12.368 -4.395 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.462 -10.282 -3.655 1.00 0.00 C ATOM 0 H LEU A 49 -6.376 -10.470 -5.940 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.327 -8.559 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.044 -11.252 -6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.818 -10.397 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.346 -11.724 -4.995 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.702 -12.857 -3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.278 -13.106 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.387 -11.912 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.801 -10.791 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.482 -9.840 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.172 -9.498 -3.918 1.00 0.00 H new ATOM 723 N TYR A 50 -5.096 -9.206 -8.658 1.00 0.00 N ATOM 724 CA TYR A 50 -4.921 -8.758 -10.053 1.00 0.00 C ATOM 725 C TYR A 50 -4.757 -7.244 -10.098 1.00 0.00 C ATOM 726 O TYR A 50 -3.779 -6.719 -10.594 1.00 0.00 O ATOM 727 CB TYR A 50 -6.185 -9.158 -10.813 1.00 0.00 C ATOM 728 CG TYR A 50 -5.873 -9.299 -12.263 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.322 -10.486 -12.713 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.133 -8.252 -13.140 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.020 -10.645 -14.068 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.836 -8.398 -14.499 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.279 -9.598 -14.966 1.00 0.00 C ATOM 734 OH TYR A 50 -4.984 -9.749 -16.306 1.00 0.00 O ATOM 0 H TYR A 50 -5.837 -9.894 -8.524 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.034 -9.211 -10.496 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.575 -10.098 -10.422 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.961 -8.406 -10.669 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.126 -11.289 -12.018 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.562 -7.331 -12.774 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.589 -11.570 -14.423 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.035 -7.589 -15.187 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.226 -8.931 -16.788 1.00 0.00 H new ATOM 744 N GLN A 51 -5.719 -6.548 -9.583 1.00 0.00 N ATOM 745 CA GLN A 51 -5.647 -5.062 -9.588 1.00 0.00 C ATOM 746 C GLN A 51 -4.413 -4.626 -8.815 1.00 0.00 C ATOM 747 O GLN A 51 -3.690 -3.741 -9.227 1.00 0.00 O ATOM 748 CB GLN A 51 -6.899 -4.486 -8.932 1.00 0.00 C ATOM 749 CG GLN A 51 -8.127 -5.248 -9.440 1.00 0.00 C ATOM 750 CD GLN A 51 -9.395 -4.474 -9.088 1.00 0.00 C ATOM 751 OE1 GLN A 51 -10.265 -4.981 -8.410 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.535 -3.259 -9.530 1.00 0.00 N ATOM 0 H GLN A 51 -6.558 -6.941 -9.156 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.585 -4.698 -10.613 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.827 -4.569 -7.848 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.992 -3.425 -9.165 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.061 -5.385 -10.519 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.160 -6.242 -8.994 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.802 -2.836 -10.099 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.378 -2.729 -9.307 1.00 0.00 H new ATOM 761 N LEU A 52 -4.154 -5.249 -7.706 1.00 0.00 N ATOM 762 CA LEU A 52 -2.954 -4.872 -6.931 1.00 0.00 C ATOM 763 C LEU A 52 -1.734 -5.151 -7.792 1.00 0.00 C ATOM 764 O LEU A 52 -0.731 -4.470 -7.722 1.00 0.00 O ATOM 765 CB LEU A 52 -2.889 -5.693 -5.649 1.00 0.00 C ATOM 766 CG LEU A 52 -4.083 -5.348 -4.749 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.974 -6.158 -3.471 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.082 -3.851 -4.399 1.00 0.00 C ATOM 0 H LEU A 52 -4.719 -5.998 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.990 -3.817 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.897 -6.757 -5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.956 -5.491 -5.124 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.008 -5.582 -5.275 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.816 -5.924 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.985 -7.221 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.042 -5.911 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.936 -3.626 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.160 -3.601 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.149 -3.263 -5.315 1.00 0.00 H new ATOM 780 N GLU A 53 -1.829 -6.151 -8.618 1.00 0.00 N ATOM 781 CA GLU A 53 -0.699 -6.496 -9.513 1.00 0.00 C ATOM 782 C GLU A 53 -0.578 -5.387 -10.562 1.00 0.00 C ATOM 783 O GLU A 53 0.366 -5.326 -11.324 1.00 0.00 O ATOM 784 CB GLU A 53 -0.990 -7.871 -10.172 1.00 0.00 C ATOM 785 CG GLU A 53 0.216 -8.829 -10.034 1.00 0.00 C ATOM 786 CD GLU A 53 0.204 -9.856 -11.172 1.00 0.00 C ATOM 787 OE1 GLU A 53 -0.859 -10.385 -11.455 1.00 0.00 O ATOM 788 OE2 GLU A 53 1.257 -10.095 -11.740 1.00 0.00 O ATOM 0 H GLU A 53 -2.650 -6.749 -8.711 1.00 0.00 H new ATOM 0 HA GLU A 53 0.241 -6.573 -8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.868 -8.320 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.225 -7.728 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.146 -8.261 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.177 -9.340 -9.072 1.00 0.00 H new ATOM 795 N ASN A 54 -1.546 -4.514 -10.596 1.00 0.00 N ATOM 796 CA ASN A 54 -1.532 -3.397 -11.577 1.00 0.00 C ATOM 797 C ASN A 54 -0.528 -2.332 -11.132 1.00 0.00 C ATOM 798 O ASN A 54 0.030 -1.615 -11.939 1.00 0.00 O ATOM 799 CB ASN A 54 -2.943 -2.790 -11.647 1.00 0.00 C ATOM 800 CG ASN A 54 -3.133 -2.044 -12.968 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.184 -1.555 -13.548 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.333 -1.938 -13.468 1.00 0.00 N ATOM 0 H ASN A 54 -2.356 -4.529 -9.977 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.238 -3.766 -12.560 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.691 -3.578 -11.555 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.095 -2.108 -10.811 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.477 -1.443 -14.348 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.128 -2.350 -12.979 1.00 0.00 H new ATOM 809 N TYR A 55 -0.300 -2.218 -9.848 1.00 0.00 N ATOM 810 CA TYR A 55 0.661 -1.193 -9.333 1.00 0.00 C ATOM 811 C TYR A 55 1.992 -1.856 -8.976 1.00 0.00 C ATOM 812 O TYR A 55 2.879 -1.227 -8.435 1.00 0.00 O ATOM 813 CB TYR A 55 0.064 -0.543 -8.086 1.00 0.00 C ATOM 814 CG TYR A 55 -1.385 -0.233 -8.344 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.345 -1.221 -8.150 1.00 0.00 C ATOM 816 CD2 TYR A 55 -1.761 1.036 -8.783 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.700 -0.945 -8.393 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.110 1.319 -9.030 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.081 0.328 -8.835 1.00 0.00 C ATOM 820 OH TYR A 55 -5.410 0.606 -9.078 1.00 0.00 O ATOM 0 H TYR A 55 -0.740 -2.793 -9.130 1.00 0.00 H new ATOM 0 HA TYR A 55 0.838 -0.439 -10.100 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.160 -1.211 -7.230 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.607 0.370 -7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.047 -2.202 -7.812 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.012 1.800 -8.932 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.445 -1.711 -8.240 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.402 2.301 -9.371 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.972 -0.009 -8.562 1.00 0.00 H new ATOM 830 N CYS A 56 2.149 -3.119 -9.273 1.00 0.00 N ATOM 831 CA CYS A 56 3.435 -3.797 -8.943 1.00 0.00 C ATOM 832 C CYS A 56 4.476 -3.458 -10.012 1.00 0.00 C ATOM 833 O CYS A 56 4.396 -3.913 -11.135 1.00 0.00 O ATOM 834 CB CYS A 56 3.228 -5.311 -8.903 1.00 0.00 C ATOM 835 SG CYS A 56 2.261 -5.763 -7.439 1.00 0.00 S ATOM 0 H CYS A 56 1.448 -3.706 -9.726 1.00 0.00 H new ATOM 0 HA CYS A 56 3.782 -3.454 -7.968 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.713 -5.640 -9.806 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.193 -5.818 -8.883 1.00 0.00 H new ATOM 840 N ASN A 57 5.452 -2.662 -9.672 1.00 0.00 N ATOM 841 CA ASN A 57 6.495 -2.295 -10.671 1.00 0.00 C ATOM 842 C ASN A 57 5.823 -1.825 -11.962 1.00 0.00 C ATOM 843 O ASN A 57 5.095 -0.848 -11.906 1.00 0.00 O ATOM 844 CB ASN A 57 7.370 -3.516 -10.967 1.00 0.00 C ATOM 845 CG ASN A 57 8.404 -3.156 -12.035 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.361 -2.082 -12.601 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.338 -4.016 -12.338 1.00 0.00 N ATOM 848 OXT ASN A 57 6.046 -2.451 -12.985 1.00 0.00 O ATOM 0 H ASN A 57 5.572 -2.250 -8.747 1.00 0.00 H new ATOM 0 HA ASN A 57 7.114 -1.492 -10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.871 -3.847 -10.057 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.751 -4.346 -11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.031 -3.786 -13.050 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.374 -4.918 -11.863 1.00 0.00 H new TER 855 ASN A 57