USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 39 THR OG1 : rot -160:sc= -0.518 USER MOD Set 1.2: A 45 THR OG1 : rot -70:sc= -2.84! USER MOD Set 2.1: A 14 ASN : amide:sc= -0.0334 X(o=0.9,f=0.72) USER MOD Set 2.2: A 29 TYR OH : rot -39:sc= 0.93 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 26:sc= 0.605 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -1.29 K(o=-1.3,f=-3.2!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.336 K(o=-0.34,f=-1.3) USER MOD Single : A 16 MET CE :methyl 145:sc= -2.03 (180deg=-3.68) USER MOD Single : A 18 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.72) USER MOD Single : A 19 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 21 GLN : amide:sc= -1.48 K(o=-1.5,f=-5.3!) USER MOD Single : A 23 MET CE :methyl -130:sc= -0.118 (180deg=-0.329) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 30 HIS : no HD1:sc= -0.308 X(o=-0.31,f=-0.019) USER MOD Single : A 34 GLN : amide:sc= -2.3! C(o=-2.3!,f=-3.9!) USER MOD Single : A 37 GLN : amide:sc= -3.7! C(o=-3.7!,f=-3.6!) USER MOD Single : A 41 SER OG : rot 159:sc= 0 USER MOD Single : A 46 THR OG1 : rot -59:sc= 0.557 USER MOD Single : A 48 ASN : amide:sc= -3.24! K(o=-3.2!,f=-1.2) USER MOD Single : A 55 GLN : amide:sc=-0.00136 X(o=-0.0014,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.537 12.618 -7.489 1.00 0.00 N ATOM 2 CA GLY A 1 -20.167 11.486 -6.833 1.00 0.00 C ATOM 3 C GLY A 1 -19.152 10.373 -6.565 1.00 0.00 C ATOM 4 O GLY A 1 -18.692 9.711 -7.494 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.246 13.359 -7.660 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.782 12.995 -6.882 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.131 12.312 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.615 11.809 -5.893 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.975 11.104 -7.456 1.00 0.00 H new ATOM 8 N SER A 2 -18.834 10.200 -5.291 1.00 0.00 N ATOM 9 CA SER A 2 -17.882 9.178 -4.889 1.00 0.00 C ATOM 10 C SER A 2 -18.487 8.303 -3.790 1.00 0.00 C ATOM 11 O SER A 2 -18.548 8.709 -2.630 1.00 0.00 O ATOM 12 CB SER A 2 -16.572 9.805 -4.407 1.00 0.00 C ATOM 13 OG SER A 2 -15.956 10.599 -5.418 1.00 0.00 O ATOM 0 H SER A 2 -19.219 10.750 -4.523 1.00 0.00 H new ATOM 0 HA SER A 2 -17.659 8.558 -5.757 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.767 10.422 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.886 9.017 -4.096 1.00 0.00 H new ATOM 0 HG SER A 2 -15.124 10.983 -5.071 1.00 0.00 H new ATOM 19 N SER A 3 -18.919 7.117 -4.193 1.00 0.00 N ATOM 20 CA SER A 3 -19.517 6.180 -3.256 1.00 0.00 C ATOM 21 C SER A 3 -19.352 4.749 -3.771 1.00 0.00 C ATOM 22 O SER A 3 -19.020 4.539 -4.937 1.00 0.00 O ATOM 23 CB SER A 3 -20.996 6.496 -3.031 1.00 0.00 C ATOM 24 OG SER A 3 -21.784 6.215 -4.184 1.00 0.00 O ATOM 0 H SER A 3 -18.867 6.783 -5.155 1.00 0.00 H new ATOM 0 HA SER A 3 -19.003 6.277 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.367 5.913 -2.188 1.00 0.00 H new ATOM 0 HB3 SER A 3 -21.106 7.547 -2.765 1.00 0.00 H new ATOM 0 HG SER A 3 -22.722 6.429 -3.999 1.00 0.00 H new ATOM 30 N GLY A 4 -19.592 3.801 -2.877 1.00 0.00 N ATOM 31 CA GLY A 4 -19.474 2.396 -3.226 1.00 0.00 C ATOM 32 C GLY A 4 -20.274 1.522 -2.257 1.00 0.00 C ATOM 33 O GLY A 4 -21.384 1.095 -2.572 1.00 0.00 O ATOM 0 H GLY A 4 -19.868 3.979 -1.911 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.832 2.239 -4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.425 2.100 -3.208 1.00 0.00 H new ATOM 37 N SER A 5 -19.679 1.281 -1.098 1.00 0.00 N ATOM 38 CA SER A 5 -20.321 0.466 -0.082 1.00 0.00 C ATOM 39 C SER A 5 -20.751 -0.875 -0.681 1.00 0.00 C ATOM 40 O SER A 5 -21.832 -0.984 -1.258 1.00 0.00 O ATOM 41 CB SER A 5 -21.527 1.188 0.522 1.00 0.00 C ATOM 42 OG SER A 5 -21.138 2.164 1.484 1.00 0.00 O ATOM 0 H SER A 5 -18.758 1.636 -0.840 1.00 0.00 H new ATOM 0 HA SER A 5 -19.602 0.286 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 5 -22.097 1.669 -0.273 1.00 0.00 H new ATOM 0 HB3 SER A 5 -22.188 0.459 0.992 1.00 0.00 H new ATOM 0 HG SER A 5 -21.936 2.604 1.845 1.00 0.00 H new ATOM 48 N SER A 6 -19.882 -1.863 -0.524 1.00 0.00 N ATOM 49 CA SER A 6 -20.157 -3.192 -1.042 1.00 0.00 C ATOM 50 C SER A 6 -19.151 -4.194 -0.473 1.00 0.00 C ATOM 51 O SER A 6 -17.949 -4.069 -0.700 1.00 0.00 O ATOM 52 CB SER A 6 -20.114 -3.206 -2.572 1.00 0.00 C ATOM 53 OG SER A 6 -18.805 -2.951 -3.071 1.00 0.00 O ATOM 0 H SER A 6 -18.986 -1.769 -0.045 1.00 0.00 H new ATOM 0 HA SER A 6 -21.161 -3.480 -0.731 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.458 -4.174 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.803 -2.456 -2.961 1.00 0.00 H new ATOM 0 HG SER A 6 -18.142 -3.223 -2.403 1.00 0.00 H new ATOM 59 N GLY A 7 -19.681 -5.167 0.255 1.00 0.00 N ATOM 60 CA GLY A 7 -18.844 -6.190 0.858 1.00 0.00 C ATOM 61 C GLY A 7 -18.608 -7.348 -0.114 1.00 0.00 C ATOM 62 O GLY A 7 -19.033 -8.474 0.142 1.00 0.00 O ATOM 0 H GLY A 7 -20.679 -5.268 0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.888 -5.756 1.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.317 -6.563 1.766 1.00 0.00 H new ATOM 66 N ALA A 8 -17.932 -7.032 -1.208 1.00 0.00 N ATOM 67 CA ALA A 8 -17.635 -8.032 -2.219 1.00 0.00 C ATOM 68 C ALA A 8 -16.490 -7.532 -3.104 1.00 0.00 C ATOM 69 O ALA A 8 -16.508 -6.391 -3.561 1.00 0.00 O ATOM 70 CB ALA A 8 -18.900 -8.339 -3.022 1.00 0.00 C ATOM 0 H ALA A 8 -17.581 -6.097 -1.417 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.311 -8.963 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.676 -9.089 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.673 -8.718 -2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -19.254 -7.429 -3.506 1.00 0.00 H new ATOM 76 N SER A 9 -15.523 -8.412 -3.318 1.00 0.00 N ATOM 77 CA SER A 9 -14.373 -8.075 -4.140 1.00 0.00 C ATOM 78 C SER A 9 -13.573 -6.948 -3.483 1.00 0.00 C ATOM 79 O SER A 9 -14.059 -6.292 -2.563 1.00 0.00 O ATOM 80 CB SER A 9 -14.804 -7.667 -5.550 1.00 0.00 C ATOM 81 OG SER A 9 -14.763 -8.764 -6.459 1.00 0.00 O ATOM 0 H SER A 9 -15.512 -9.358 -2.936 1.00 0.00 H new ATOM 0 HA SER A 9 -13.742 -8.960 -4.224 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.815 -7.261 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.153 -6.871 -5.912 1.00 0.00 H new ATOM 0 HG SER A 9 -15.047 -8.463 -7.348 1.00 0.00 H new ATOM 87 N ASN A 10 -12.361 -6.758 -3.982 1.00 0.00 N ATOM 88 CA ASN A 10 -11.489 -5.722 -3.455 1.00 0.00 C ATOM 89 C ASN A 10 -11.999 -4.353 -3.908 1.00 0.00 C ATOM 90 O ASN A 10 -12.627 -4.237 -4.960 1.00 0.00 O ATOM 91 CB ASN A 10 -10.059 -5.889 -3.973 1.00 0.00 C ATOM 92 CG ASN A 10 -10.020 -5.835 -5.501 1.00 0.00 C ATOM 93 OD1 ASN A 10 -11.036 -5.748 -6.171 1.00 0.00 O ATOM 94 ND2 ASN A 10 -8.794 -5.892 -6.013 1.00 0.00 N ATOM 0 H ASN A 10 -11.962 -7.304 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 10 -11.490 -5.801 -2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -9.425 -5.103 -3.561 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -9.652 -6.840 -3.629 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.662 -5.863 -7.024 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.986 -5.964 -5.395 1.00 0.00 H new ATOM 101 N SER A 11 -11.711 -3.349 -3.093 1.00 0.00 N ATOM 102 CA SER A 11 -12.132 -1.992 -3.397 1.00 0.00 C ATOM 103 C SER A 11 -11.397 -1.001 -2.493 1.00 0.00 C ATOM 104 O SER A 11 -10.770 -0.060 -2.979 1.00 0.00 O ATOM 105 CB SER A 11 -13.646 -1.837 -3.234 1.00 0.00 C ATOM 106 OG SER A 11 -14.269 -1.396 -4.437 1.00 0.00 O ATOM 0 H SER A 11 -11.191 -3.448 -2.221 1.00 0.00 H new ATOM 0 HA SER A 11 -11.881 -1.780 -4.436 1.00 0.00 H new ATOM 0 HB2 SER A 11 -14.078 -2.791 -2.931 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.854 -1.125 -2.436 1.00 0.00 H new ATOM 0 HG SER A 11 -15.235 -1.311 -4.293 1.00 0.00 H new ATOM 112 N GLN A 12 -11.497 -1.245 -1.195 1.00 0.00 N ATOM 113 CA GLN A 12 -10.849 -0.385 -0.219 1.00 0.00 C ATOM 114 C GLN A 12 -9.345 -0.316 -0.489 1.00 0.00 C ATOM 115 O GLN A 12 -8.793 0.768 -0.676 1.00 0.00 O ATOM 116 CB GLN A 12 -11.129 -0.865 1.206 1.00 0.00 C ATOM 117 CG GLN A 12 -12.554 -0.509 1.635 1.00 0.00 C ATOM 118 CD GLN A 12 -13.545 -1.587 1.194 1.00 0.00 C ATOM 119 OE1 GLN A 12 -13.258 -2.773 1.206 1.00 0.00 O ATOM 120 NE2 GLN A 12 -14.724 -1.111 0.804 1.00 0.00 N ATOM 0 H GLN A 12 -12.017 -2.026 -0.796 1.00 0.00 H new ATOM 0 HA GLN A 12 -11.262 0.619 -0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.987 -1.944 1.265 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.415 -0.412 1.893 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -12.594 -0.395 2.718 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -12.839 0.450 1.203 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.898 -0.106 0.819 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -15.454 -1.751 0.490 1.00 0.00 H new ATOM 129 N LEU A 13 -8.724 -1.486 -0.502 1.00 0.00 N ATOM 130 CA LEU A 13 -7.294 -1.572 -0.746 1.00 0.00 C ATOM 131 C LEU A 13 -6.949 -0.786 -2.013 1.00 0.00 C ATOM 132 O LEU A 13 -6.065 0.069 -1.996 1.00 0.00 O ATOM 133 CB LEU A 13 -6.844 -3.033 -0.787 1.00 0.00 C ATOM 134 CG LEU A 13 -7.411 -3.941 0.306 1.00 0.00 C ATOM 135 CD1 LEU A 13 -6.632 -5.255 0.386 1.00 0.00 C ATOM 136 CD2 LEU A 13 -7.454 -3.217 1.653 1.00 0.00 C ATOM 0 H LEU A 13 -9.185 -2.383 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.740 -1.115 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -7.118 -3.450 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.756 -3.059 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 13 -8.439 -4.192 0.043 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.056 -5.882 1.171 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.698 -5.776 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.587 -5.045 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.861 -3.885 2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.445 -2.917 1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.086 -2.333 1.571 1.00 0.00 H new ATOM 148 N ASN A 14 -7.665 -1.104 -3.081 1.00 0.00 N ATOM 149 CA ASN A 14 -7.446 -0.438 -4.354 1.00 0.00 C ATOM 150 C ASN A 14 -7.359 1.072 -4.126 1.00 0.00 C ATOM 151 O ASN A 14 -6.351 1.696 -4.456 1.00 0.00 O ATOM 152 CB ASN A 14 -8.601 -0.705 -5.321 1.00 0.00 C ATOM 153 CG ASN A 14 -8.086 -0.910 -6.747 1.00 0.00 C ATOM 154 OD1 ASN A 14 -7.238 -1.745 -7.014 1.00 0.00 O ATOM 155 ND2 ASN A 14 -8.646 -0.104 -7.645 1.00 0.00 N ATOM 0 H ASN A 14 -8.397 -1.814 -3.091 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.521 -0.824 -4.782 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.153 -1.588 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.299 0.132 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.371 -0.163 -8.625 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.351 0.573 -7.353 1.00 0.00 H new ATOM 162 N ALA A 15 -8.428 1.616 -3.565 1.00 0.00 N ATOM 163 CA ALA A 15 -8.485 3.042 -3.289 1.00 0.00 C ATOM 164 C ALA A 15 -7.268 3.445 -2.454 1.00 0.00 C ATOM 165 O ALA A 15 -6.471 4.282 -2.876 1.00 0.00 O ATOM 166 CB ALA A 15 -9.806 3.375 -2.593 1.00 0.00 C ATOM 0 H ALA A 15 -9.262 1.095 -3.294 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.452 3.614 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.849 4.444 -2.386 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.638 3.097 -3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.874 2.821 -1.657 1.00 0.00 H new ATOM 172 N MET A 16 -7.163 2.830 -1.285 1.00 0.00 N ATOM 173 CA MET A 16 -6.056 3.114 -0.388 1.00 0.00 C ATOM 174 C MET A 16 -4.749 3.284 -1.165 1.00 0.00 C ATOM 175 O MET A 16 -4.077 4.307 -1.040 1.00 0.00 O ATOM 176 CB MET A 16 -5.908 1.971 0.618 1.00 0.00 C ATOM 177 CG MET A 16 -6.976 2.058 1.709 1.00 0.00 C ATOM 178 SD MET A 16 -7.754 0.466 1.931 1.00 0.00 S ATOM 179 CE MET A 16 -6.532 -0.335 2.958 1.00 0.00 C ATOM 0 H MET A 16 -7.826 2.137 -0.939 1.00 0.00 H new ATOM 0 HA MET A 16 -6.268 4.046 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.988 1.015 0.101 1.00 0.00 H new ATOM 0 HB3 MET A 16 -4.917 2.007 1.071 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.525 2.385 2.646 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.724 2.803 1.438 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.030 -0.993 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.859 -0.921 2.332 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.961 0.419 3.499 1.00 0.00 H new ATOM 189 N ALA A 17 -4.429 2.267 -1.950 1.00 0.00 N ATOM 190 CA ALA A 17 -3.214 2.290 -2.747 1.00 0.00 C ATOM 191 C ALA A 17 -3.163 3.591 -3.552 1.00 0.00 C ATOM 192 O ALA A 17 -2.264 4.408 -3.361 1.00 0.00 O ATOM 193 CB ALA A 17 -3.165 1.050 -3.641 1.00 0.00 C ATOM 0 H ALA A 17 -4.990 1.421 -2.052 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.334 2.263 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.253 1.068 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.175 0.154 -3.021 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -4.032 1.043 -4.302 1.00 0.00 H new ATOM 199 N HIS A 18 -4.139 3.742 -4.435 1.00 0.00 N ATOM 200 CA HIS A 18 -4.217 4.929 -5.269 1.00 0.00 C ATOM 201 C HIS A 18 -3.924 6.170 -4.424 1.00 0.00 C ATOM 202 O HIS A 18 -2.955 6.884 -4.678 1.00 0.00 O ATOM 203 CB HIS A 18 -5.567 5.003 -5.984 1.00 0.00 C ATOM 204 CG HIS A 18 -6.053 6.411 -6.234 1.00 0.00 C ATOM 205 ND1 HIS A 18 -5.295 7.359 -6.899 1.00 0.00 N ATOM 206 CD2 HIS A 18 -7.227 7.021 -5.901 1.00 0.00 C ATOM 207 CE1 HIS A 18 -5.991 8.485 -6.958 1.00 0.00 C ATOM 208 NE2 HIS A 18 -7.188 8.273 -6.339 1.00 0.00 N ATOM 0 H HIS A 18 -4.883 3.062 -4.591 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.460 4.878 -6.052 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.490 4.481 -6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.311 4.473 -5.389 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.049 6.563 -5.371 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.668 9.408 -7.416 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -7.931 8.963 -6.231 1.00 0.00 H new ATOM 216 N GLN A 19 -4.779 6.389 -3.436 1.00 0.00 N ATOM 217 CA GLN A 19 -4.625 7.532 -2.552 1.00 0.00 C ATOM 218 C GLN A 19 -3.150 7.737 -2.202 1.00 0.00 C ATOM 219 O GLN A 19 -2.637 8.852 -2.286 1.00 0.00 O ATOM 220 CB GLN A 19 -5.470 7.365 -1.287 1.00 0.00 C ATOM 221 CG GLN A 19 -6.884 7.908 -1.497 1.00 0.00 C ATOM 222 CD GLN A 19 -7.124 9.157 -0.646 1.00 0.00 C ATOM 223 OE1 GLN A 19 -6.444 10.163 -0.768 1.00 0.00 O ATOM 224 NE2 GLN A 19 -8.125 9.037 0.222 1.00 0.00 N ATOM 0 H GLN A 19 -5.581 5.794 -3.228 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.982 8.420 -3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.518 6.311 -1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.995 7.888 -0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.033 8.147 -2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.614 7.141 -1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.654 8.167 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.363 9.815 0.837 1.00 0.00 H new ATOM 233 N ILE A 20 -2.508 6.644 -1.818 1.00 0.00 N ATOM 234 CA ILE A 20 -1.101 6.690 -1.455 1.00 0.00 C ATOM 235 C ILE A 20 -0.269 7.005 -2.699 1.00 0.00 C ATOM 236 O ILE A 20 0.573 7.901 -2.676 1.00 0.00 O ATOM 237 CB ILE A 20 -0.687 5.397 -0.750 1.00 0.00 C ATOM 238 CG1 ILE A 20 -1.557 5.142 0.483 1.00 0.00 C ATOM 239 CG2 ILE A 20 0.804 5.413 -0.407 1.00 0.00 C ATOM 240 CD1 ILE A 20 -1.385 3.708 0.988 1.00 0.00 C ATOM 0 H ILE A 20 -2.936 5.721 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.918 7.490 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.850 4.566 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.290 5.844 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.604 5.322 0.238 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.072 4.483 0.093 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.387 5.514 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.017 6.254 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.014 3.553 1.865 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.676 3.009 0.204 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.342 3.539 1.255 1.00 0.00 H new ATOM 252 N GLN A 21 -0.533 6.251 -3.756 1.00 0.00 N ATOM 253 CA GLN A 21 0.181 6.440 -5.008 1.00 0.00 C ATOM 254 C GLN A 21 0.406 7.930 -5.272 1.00 0.00 C ATOM 255 O GLN A 21 1.480 8.330 -5.717 1.00 0.00 O ATOM 256 CB GLN A 21 -0.567 5.784 -6.170 1.00 0.00 C ATOM 257 CG GLN A 21 0.379 5.497 -7.338 1.00 0.00 C ATOM 258 CD GLN A 21 0.582 3.992 -7.522 1.00 0.00 C ATOM 259 OE1 GLN A 21 0.201 3.405 -8.522 1.00 0.00 O ATOM 260 NE2 GLN A 21 1.202 3.401 -6.505 1.00 0.00 N ATOM 0 H GLN A 21 -1.231 5.508 -3.771 1.00 0.00 H new ATOM 0 HA GLN A 21 1.154 5.955 -4.925 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.027 4.855 -5.833 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.374 6.437 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.027 5.927 -8.254 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.341 5.978 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 21 1.495 3.951 -5.697 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.385 2.398 -6.533 1.00 0.00 H new ATOM 269 N GLU A 22 -0.625 8.711 -4.985 1.00 0.00 N ATOM 270 CA GLU A 22 -0.553 10.148 -5.186 1.00 0.00 C ATOM 271 C GLU A 22 0.557 10.750 -4.323 1.00 0.00 C ATOM 272 O GLU A 22 1.524 11.303 -4.845 1.00 0.00 O ATOM 273 CB GLU A 22 -1.900 10.811 -4.888 1.00 0.00 C ATOM 274 CG GLU A 22 -2.885 10.593 -6.038 1.00 0.00 C ATOM 275 CD GLU A 22 -2.950 11.824 -6.944 1.00 0.00 C ATOM 276 OE1 GLU A 22 -3.518 12.839 -6.484 1.00 0.00 O ATOM 277 OE2 GLU A 22 -2.432 11.723 -8.077 1.00 0.00 O ATOM 0 H GLU A 22 -1.514 8.376 -4.615 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.315 10.337 -6.233 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.315 10.402 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.756 11.879 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.582 9.723 -6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.876 10.379 -5.637 1.00 0.00 H new ATOM 284 N MET A 23 0.382 10.622 -3.016 1.00 0.00 N ATOM 285 CA MET A 23 1.358 11.147 -2.075 1.00 0.00 C ATOM 286 C MET A 23 2.726 10.496 -2.285 1.00 0.00 C ATOM 287 O MET A 23 3.745 11.184 -2.327 1.00 0.00 O ATOM 288 CB MET A 23 0.881 10.884 -0.645 1.00 0.00 C ATOM 289 CG MET A 23 -0.249 11.841 -0.259 1.00 0.00 C ATOM 290 SD MET A 23 -0.539 11.766 1.500 1.00 0.00 S ATOM 291 CE MET A 23 -1.209 10.117 1.634 1.00 0.00 C ATOM 0 H MET A 23 -0.421 10.163 -2.586 1.00 0.00 H new ATOM 0 HA MET A 23 1.457 12.219 -2.243 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.536 9.854 -0.557 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.714 11.002 0.048 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.010 12.859 -0.550 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.159 11.578 -0.797 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.136 10.146 2.206 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.410 9.724 0.637 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.491 9.472 2.140 1.00 0.00 H new ATOM 301 N PHE A 24 2.706 9.177 -2.411 1.00 0.00 N ATOM 302 CA PHE A 24 3.933 8.426 -2.615 1.00 0.00 C ATOM 303 C PHE A 24 3.837 7.550 -3.866 1.00 0.00 C ATOM 304 O PHE A 24 3.640 6.340 -3.768 1.00 0.00 O ATOM 305 CB PHE A 24 4.116 7.527 -1.390 1.00 0.00 C ATOM 306 CG PHE A 24 3.954 8.255 -0.054 1.00 0.00 C ATOM 307 CD1 PHE A 24 2.714 8.591 0.392 1.00 0.00 C ATOM 308 CD2 PHE A 24 5.051 8.566 0.687 1.00 0.00 C ATOM 309 CE1 PHE A 24 2.564 9.266 1.632 1.00 0.00 C ATOM 310 CE2 PHE A 24 4.901 9.241 1.927 1.00 0.00 C ATOM 311 CZ PHE A 24 3.661 9.577 2.373 1.00 0.00 C ATOM 0 H PHE A 24 1.859 8.609 -2.376 1.00 0.00 H new ATOM 0 HA PHE A 24 4.771 9.110 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.393 6.713 -1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.107 7.076 -1.428 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.843 8.344 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 24 6.036 8.300 0.332 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.579 9.532 1.987 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.772 9.488 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 24 3.547 10.091 3.316 1.00 0.00 H new ATOM 321 N PRO A 25 3.986 8.213 -5.044 1.00 0.00 N ATOM 322 CA PRO A 25 3.919 7.509 -6.313 1.00 0.00 C ATOM 323 C PRO A 25 5.198 6.707 -6.563 1.00 0.00 C ATOM 324 O PRO A 25 5.165 5.668 -7.221 1.00 0.00 O ATOM 325 CB PRO A 25 3.684 8.592 -7.353 1.00 0.00 C ATOM 326 CG PRO A 25 4.091 9.899 -6.692 1.00 0.00 C ATOM 327 CD PRO A 25 4.221 9.646 -5.199 1.00 0.00 C ATOM 0 HA PRO A 25 3.119 6.769 -6.341 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.275 8.407 -8.250 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.638 8.618 -7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.036 10.256 -7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 25 3.347 10.672 -6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 25 5.209 9.927 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.495 10.230 -4.634 1.00 0.00 H new ATOM 335 N GLN A 26 6.295 7.220 -6.025 1.00 0.00 N ATOM 336 CA GLN A 26 7.582 6.564 -6.182 1.00 0.00 C ATOM 337 C GLN A 26 7.434 5.053 -5.995 1.00 0.00 C ATOM 338 O GLN A 26 8.059 4.271 -6.710 1.00 0.00 O ATOM 339 CB GLN A 26 8.612 7.139 -5.208 1.00 0.00 C ATOM 340 CG GLN A 26 8.036 7.236 -3.794 1.00 0.00 C ATOM 341 CD GLN A 26 9.140 7.498 -2.768 1.00 0.00 C ATOM 342 OE1 GLN A 26 10.080 6.734 -2.621 1.00 0.00 O ATOM 343 NE2 GLN A 26 8.975 8.618 -2.069 1.00 0.00 N ATOM 0 H GLN A 26 6.319 8.082 -5.480 1.00 0.00 H new ATOM 0 HA GLN A 26 7.943 6.751 -7.193 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.501 6.509 -5.200 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.925 8.127 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.298 8.038 -3.752 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.516 6.311 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.165 9.213 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.659 8.882 -1.360 1.00 0.00 H new ATOM 352 N VAL A 27 6.604 4.687 -5.029 1.00 0.00 N ATOM 353 CA VAL A 27 6.366 3.283 -4.739 1.00 0.00 C ATOM 354 C VAL A 27 5.388 2.712 -5.768 1.00 0.00 C ATOM 355 O VAL A 27 4.445 3.389 -6.175 1.00 0.00 O ATOM 356 CB VAL A 27 5.880 3.122 -3.298 1.00 0.00 C ATOM 357 CG1 VAL A 27 4.663 4.008 -3.027 1.00 0.00 C ATOM 358 CG2 VAL A 27 5.572 1.656 -2.984 1.00 0.00 C ATOM 0 H VAL A 27 6.088 5.338 -4.437 1.00 0.00 H new ATOM 0 HA VAL A 27 7.292 2.714 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 27 6.683 3.445 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.338 3.874 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.929 5.052 -3.191 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.853 3.730 -3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.228 1.569 -1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.794 1.295 -3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.474 1.058 -3.117 1.00 0.00 H new ATOM 368 N PRO A 28 5.653 1.440 -6.169 1.00 0.00 N ATOM 369 CA PRO A 28 4.806 0.771 -7.142 1.00 0.00 C ATOM 370 C PRO A 28 3.484 0.333 -6.510 1.00 0.00 C ATOM 371 O PRO A 28 3.437 0.002 -5.326 1.00 0.00 O ATOM 372 CB PRO A 28 5.637 -0.396 -7.649 1.00 0.00 C ATOM 373 CG PRO A 28 6.728 -0.613 -6.614 1.00 0.00 C ATOM 374 CD PRO A 28 6.760 0.608 -5.709 1.00 0.00 C ATOM 0 HA PRO A 28 4.515 1.423 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 28 5.025 -1.290 -7.764 1.00 0.00 H new ATOM 0 HB3 PRO A 28 6.065 -0.175 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.530 -1.514 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.693 -0.753 -7.100 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.637 0.329 -4.663 1.00 0.00 H new ATOM 0 HD3 PRO A 28 7.711 1.135 -5.789 1.00 0.00 H new ATOM 382 N TYR A 29 2.441 0.345 -7.327 1.00 0.00 N ATOM 383 CA TYR A 29 1.121 -0.046 -6.862 1.00 0.00 C ATOM 384 C TYR A 29 1.110 -1.508 -6.410 1.00 0.00 C ATOM 385 O TYR A 29 0.675 -1.816 -5.302 1.00 0.00 O ATOM 386 CB TYR A 29 0.187 0.110 -8.064 1.00 0.00 C ATOM 387 CG TYR A 29 -1.295 0.198 -7.693 1.00 0.00 C ATOM 388 CD1 TYR A 29 -1.837 1.405 -7.299 1.00 0.00 C ATOM 389 CD2 TYR A 29 -2.089 -0.929 -7.752 1.00 0.00 C ATOM 390 CE1 TYR A 29 -3.232 1.487 -6.950 1.00 0.00 C ATOM 391 CE2 TYR A 29 -3.483 -0.846 -7.403 1.00 0.00 C ATOM 392 CZ TYR A 29 -3.986 0.358 -7.020 1.00 0.00 C ATOM 393 OH TYR A 29 -5.303 0.436 -6.690 1.00 0.00 O ATOM 0 H TYR A 29 2.483 0.619 -8.308 1.00 0.00 H new ATOM 0 HA TYR A 29 0.816 0.566 -6.013 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.467 1.008 -8.615 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.333 -0.735 -8.737 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.216 2.287 -7.252 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.665 -1.873 -8.060 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.669 2.424 -6.640 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.115 -1.720 -7.444 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.412 1.027 -5.916 1.00 0.00 H new ATOM 403 N HIS A 30 1.595 -2.370 -7.292 1.00 0.00 N ATOM 404 CA HIS A 30 1.646 -3.792 -6.997 1.00 0.00 C ATOM 405 C HIS A 30 2.116 -4.001 -5.556 1.00 0.00 C ATOM 406 O HIS A 30 1.418 -4.623 -4.757 1.00 0.00 O ATOM 407 CB HIS A 30 2.519 -4.527 -8.017 1.00 0.00 C ATOM 408 CG HIS A 30 2.698 -5.998 -7.726 1.00 0.00 C ATOM 409 ND1 HIS A 30 2.047 -6.988 -8.441 1.00 0.00 N ATOM 410 CD2 HIS A 30 3.461 -6.635 -6.792 1.00 0.00 C ATOM 411 CE1 HIS A 30 2.409 -8.164 -7.950 1.00 0.00 C ATOM 412 NE2 HIS A 30 3.285 -7.943 -6.928 1.00 0.00 N ATOM 0 H HIS A 30 1.956 -2.111 -8.210 1.00 0.00 H new ATOM 0 HA HIS A 30 0.648 -4.221 -7.083 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.077 -4.414 -9.007 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.499 -4.052 -8.050 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.100 -6.156 -6.065 1.00 0.00 H new ATOM 0 HE1 HIS A 30 2.070 -9.129 -8.298 1.00 0.00 H new ATOM 0 HE2 HIS A 30 3.731 -8.664 -6.362 1.00 0.00 H new ATOM 420 N LEU A 31 3.295 -3.470 -5.269 1.00 0.00 N ATOM 421 CA LEU A 31 3.866 -3.590 -3.938 1.00 0.00 C ATOM 422 C LEU A 31 2.898 -2.989 -2.917 1.00 0.00 C ATOM 423 O LEU A 31 2.510 -3.654 -1.957 1.00 0.00 O ATOM 424 CB LEU A 31 5.265 -2.973 -3.897 1.00 0.00 C ATOM 425 CG LEU A 31 6.410 -3.876 -4.360 1.00 0.00 C ATOM 426 CD1 LEU A 31 7.683 -3.064 -4.607 1.00 0.00 C ATOM 427 CD2 LEU A 31 6.642 -5.018 -3.369 1.00 0.00 C ATOM 0 H LEU A 31 3.871 -2.955 -5.935 1.00 0.00 H new ATOM 0 HA LEU A 31 3.998 -4.639 -3.673 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.263 -2.076 -4.516 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.470 -2.655 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 31 6.126 -4.327 -5.311 1.00 0.00 H new ATOM 0 HD11 LEU A 31 8.481 -3.730 -4.935 1.00 0.00 H new ATOM 0 HD12 LEU A 31 7.494 -2.317 -5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.982 -2.566 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.461 -5.645 -3.722 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.895 -4.606 -2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.736 -5.618 -3.286 1.00 0.00 H new ATOM 439 N VAL A 32 2.536 -1.737 -3.158 1.00 0.00 N ATOM 440 CA VAL A 32 1.621 -1.039 -2.271 1.00 0.00 C ATOM 441 C VAL A 32 0.511 -1.997 -1.833 1.00 0.00 C ATOM 442 O VAL A 32 0.365 -2.282 -0.645 1.00 0.00 O ATOM 443 CB VAL A 32 1.088 0.221 -2.955 1.00 0.00 C ATOM 444 CG1 VAL A 32 -0.051 0.844 -2.147 1.00 0.00 C ATOM 445 CG2 VAL A 32 2.211 1.234 -3.191 1.00 0.00 C ATOM 0 H VAL A 32 2.860 -1.188 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 32 2.139 -0.709 -1.371 1.00 0.00 H new ATOM 0 HB VAL A 32 0.689 -0.069 -3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.411 1.738 -2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.866 0.126 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.311 1.112 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.805 2.120 -3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.653 1.516 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.975 0.788 -3.827 1.00 0.00 H new ATOM 455 N LEU A 33 -0.242 -2.467 -2.816 1.00 0.00 N ATOM 456 CA LEU A 33 -1.335 -3.387 -2.547 1.00 0.00 C ATOM 457 C LEU A 33 -0.890 -4.408 -1.498 1.00 0.00 C ATOM 458 O LEU A 33 -1.376 -4.394 -0.368 1.00 0.00 O ATOM 459 CB LEU A 33 -1.835 -4.019 -3.847 1.00 0.00 C ATOM 460 CG LEU A 33 -2.876 -3.214 -4.628 1.00 0.00 C ATOM 461 CD1 LEU A 33 -3.002 -3.726 -6.064 1.00 0.00 C ATOM 462 CD2 LEU A 33 -4.223 -3.210 -3.901 1.00 0.00 C ATOM 0 H LEU A 33 -0.117 -2.228 -3.800 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.189 -2.853 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.977 -4.193 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.260 -4.995 -3.613 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.536 -2.180 -4.684 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.748 -3.136 -6.596 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.040 -3.635 -6.569 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.307 -4.772 -6.052 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.945 -2.631 -4.477 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.581 -4.234 -3.793 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.103 -2.762 -2.915 1.00 0.00 H new ATOM 474 N GLN A 34 0.030 -5.268 -1.909 1.00 0.00 N ATOM 475 CA GLN A 34 0.546 -6.294 -1.019 1.00 0.00 C ATOM 476 C GLN A 34 0.716 -5.734 0.394 1.00 0.00 C ATOM 477 O GLN A 34 -0.023 -6.105 1.306 1.00 0.00 O ATOM 478 CB GLN A 34 1.865 -6.864 -1.545 1.00 0.00 C ATOM 479 CG GLN A 34 1.989 -8.353 -1.216 1.00 0.00 C ATOM 480 CD GLN A 34 3.318 -8.651 -0.518 1.00 0.00 C ATOM 481 OE1 GLN A 34 3.376 -8.939 0.666 1.00 0.00 O ATOM 482 NE2 GLN A 34 4.379 -8.566 -1.315 1.00 0.00 N ATOM 0 H GLN A 34 0.431 -5.275 -2.847 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.175 -7.111 -0.981 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.923 -6.720 -2.624 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.701 -6.320 -1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.161 -8.658 -0.576 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.916 -8.939 -2.132 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.260 -8.320 -2.298 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.312 -8.747 -0.944 1.00 0.00 H new ATOM 491 N ASP A 35 1.693 -4.850 0.533 1.00 0.00 N ATOM 492 CA ASP A 35 1.969 -4.235 1.820 1.00 0.00 C ATOM 493 C ASP A 35 0.649 -3.847 2.488 1.00 0.00 C ATOM 494 O ASP A 35 0.454 -4.096 3.677 1.00 0.00 O ATOM 495 CB ASP A 35 2.807 -2.966 1.656 1.00 0.00 C ATOM 496 CG ASP A 35 4.125 -2.956 2.432 1.00 0.00 C ATOM 497 OD1 ASP A 35 4.055 -2.777 3.668 1.00 0.00 O ATOM 498 OD2 ASP A 35 5.174 -3.127 1.774 1.00 0.00 O ATOM 0 H ASP A 35 2.304 -4.545 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 35 2.520 -4.954 2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.025 -2.827 0.597 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.210 -2.111 1.973 1.00 0.00 H new ATOM 503 N LEU A 36 -0.224 -3.242 1.696 1.00 0.00 N ATOM 504 CA LEU A 36 -1.520 -2.817 2.196 1.00 0.00 C ATOM 505 C LEU A 36 -2.238 -4.014 2.821 1.00 0.00 C ATOM 506 O LEU A 36 -2.792 -3.909 3.914 1.00 0.00 O ATOM 507 CB LEU A 36 -2.321 -2.127 1.089 1.00 0.00 C ATOM 508 CG LEU A 36 -2.781 -0.698 1.385 1.00 0.00 C ATOM 509 CD1 LEU A 36 -1.625 0.292 1.229 1.00 0.00 C ATOM 510 CD2 LEU A 36 -3.982 -0.318 0.518 1.00 0.00 C ATOM 0 H LEU A 36 -0.059 -3.036 0.711 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.400 -2.072 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.714 -2.112 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.201 -2.733 0.873 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.107 -0.652 2.424 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.978 1.300 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.826 0.031 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.246 0.251 0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.289 0.702 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.707 -0.385 -0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.808 -1.000 0.721 1.00 0.00 H new ATOM 522 N GLN A 37 -2.207 -5.125 2.100 1.00 0.00 N ATOM 523 CA GLN A 37 -2.848 -6.341 2.570 1.00 0.00 C ATOM 524 C GLN A 37 -2.204 -6.810 3.876 1.00 0.00 C ATOM 525 O GLN A 37 -2.746 -7.674 4.564 1.00 0.00 O ATOM 526 CB GLN A 37 -2.791 -7.438 1.505 1.00 0.00 C ATOM 527 CG GLN A 37 -3.711 -7.109 0.328 1.00 0.00 C ATOM 528 CD GLN A 37 -5.067 -7.799 0.483 1.00 0.00 C ATOM 529 OE1 GLN A 37 -5.456 -8.229 1.557 1.00 0.00 O ATOM 530 NE2 GLN A 37 -5.764 -7.882 -0.647 1.00 0.00 N ATOM 0 H GLN A 37 -1.748 -5.208 1.193 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.898 -6.123 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.767 -7.552 1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.084 -8.392 1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.853 -6.030 0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.242 -7.425 -0.604 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.380 -7.502 -1.512 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.682 -8.326 -0.648 1.00 0.00 H new ATOM 539 N LEU A 38 -1.057 -6.219 4.178 1.00 0.00 N ATOM 540 CA LEU A 38 -0.334 -6.566 5.390 1.00 0.00 C ATOM 541 C LEU A 38 -0.549 -5.472 6.438 1.00 0.00 C ATOM 542 O LEU A 38 -1.132 -5.723 7.491 1.00 0.00 O ATOM 543 CB LEU A 38 1.139 -6.835 5.076 1.00 0.00 C ATOM 544 CG LEU A 38 1.442 -7.346 3.665 1.00 0.00 C ATOM 545 CD1 LEU A 38 2.875 -7.871 3.568 1.00 0.00 C ATOM 546 CD2 LEU A 38 0.416 -8.395 3.230 1.00 0.00 C ATOM 0 H LEU A 38 -0.611 -5.503 3.605 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.721 -7.493 5.812 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.698 -5.913 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.516 -7.564 5.794 1.00 0.00 H new ATOM 0 HG LEU A 38 1.359 -6.508 2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.064 -8.228 2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.573 -7.069 3.806 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.010 -8.691 4.273 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.654 -8.742 2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.443 -9.238 3.920 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.580 -7.953 3.235 1.00 0.00 H new ATOM 558 N THR A 39 -0.066 -4.282 6.112 1.00 0.00 N ATOM 559 CA THR A 39 -0.198 -3.149 7.012 1.00 0.00 C ATOM 560 C THR A 39 -1.675 -2.819 7.241 1.00 0.00 C ATOM 561 O THR A 39 -2.081 -2.517 8.362 1.00 0.00 O ATOM 562 CB THR A 39 0.601 -1.983 6.426 1.00 0.00 C ATOM 563 OG1 THR A 39 0.210 -1.949 5.056 1.00 0.00 O ATOM 564 CG2 THR A 39 2.103 -2.269 6.378 1.00 0.00 C ATOM 0 H THR A 39 0.417 -4.078 5.237 1.00 0.00 H new ATOM 0 HA THR A 39 0.209 -3.378 7.997 1.00 0.00 H new ATOM 0 HB THR A 39 0.421 -1.085 7.018 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.882 -1.461 4.536 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.624 -1.410 5.954 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.471 -2.454 7.387 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.287 -3.147 5.758 1.00 0.00 H new ATOM 572 N ARG A 40 -2.438 -2.888 6.160 1.00 0.00 N ATOM 573 CA ARG A 40 -3.861 -2.600 6.228 1.00 0.00 C ATOM 574 C ARG A 40 -4.092 -1.206 6.813 1.00 0.00 C ATOM 575 O ARG A 40 -4.984 -1.015 7.639 1.00 0.00 O ATOM 576 CB ARG A 40 -4.591 -3.634 7.088 1.00 0.00 C ATOM 577 CG ARG A 40 -4.584 -5.009 6.416 1.00 0.00 C ATOM 578 CD ARG A 40 -3.826 -6.031 7.266 1.00 0.00 C ATOM 579 NE ARG A 40 -4.756 -7.077 7.747 1.00 0.00 N ATOM 580 CZ ARG A 40 -4.366 -8.268 8.221 1.00 0.00 C ATOM 581 NH1 ARG A 40 -3.062 -8.572 8.280 1.00 0.00 N ATOM 582 NH2 ARG A 40 -5.279 -9.156 8.636 1.00 0.00 N ATOM 0 H ARG A 40 -2.098 -3.139 5.232 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.258 -2.643 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.114 -3.701 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.619 -3.312 7.256 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.609 -5.347 6.262 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.121 -4.934 5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.028 -6.485 6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.355 -5.534 8.114 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.756 -6.879 7.716 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.366 -7.897 7.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.766 -9.479 8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.272 -8.926 8.591 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.982 -10.063 8.997 1.00 0.00 H new ATOM 596 N SER A 41 -3.275 -0.266 6.362 1.00 0.00 N ATOM 597 CA SER A 41 -3.380 1.106 6.830 1.00 0.00 C ATOM 598 C SER A 41 -2.463 2.012 6.006 1.00 0.00 C ATOM 599 O SER A 41 -1.266 2.101 6.277 1.00 0.00 O ATOM 600 CB SER A 41 -3.031 1.208 8.316 1.00 0.00 C ATOM 601 OG SER A 41 -3.431 2.458 8.873 1.00 0.00 O ATOM 0 H SER A 41 -2.537 -0.427 5.677 1.00 0.00 H new ATOM 0 HA SER A 41 -4.412 1.433 6.703 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.516 0.397 8.859 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.956 1.080 8.446 1.00 0.00 H new ATOM 0 HG SER A 41 -3.509 2.372 9.846 1.00 0.00 H new ATOM 607 N VAL A 42 -3.058 2.660 5.016 1.00 0.00 N ATOM 608 CA VAL A 42 -2.310 3.556 4.151 1.00 0.00 C ATOM 609 C VAL A 42 -1.296 4.338 4.988 1.00 0.00 C ATOM 610 O VAL A 42 -0.228 4.699 4.497 1.00 0.00 O ATOM 611 CB VAL A 42 -3.271 4.461 3.378 1.00 0.00 C ATOM 612 CG1 VAL A 42 -4.408 3.648 2.754 1.00 0.00 C ATOM 613 CG2 VAL A 42 -3.820 5.572 4.275 1.00 0.00 C ATOM 0 H VAL A 42 -4.050 2.582 4.793 1.00 0.00 H new ATOM 0 HA VAL A 42 -1.750 2.989 3.408 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.711 4.930 2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.077 4.315 2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.993 2.911 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.965 3.138 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.500 6.201 3.701 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.356 5.130 5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.995 6.178 4.650 1.00 0.00 H new ATOM 623 N GLU A 43 -1.666 4.575 6.238 1.00 0.00 N ATOM 624 CA GLU A 43 -0.802 5.308 7.148 1.00 0.00 C ATOM 625 C GLU A 43 0.454 4.491 7.460 1.00 0.00 C ATOM 626 O GLU A 43 1.571 4.977 7.294 1.00 0.00 O ATOM 627 CB GLU A 43 -1.547 5.680 8.431 1.00 0.00 C ATOM 628 CG GLU A 43 -1.572 7.196 8.631 1.00 0.00 C ATOM 629 CD GLU A 43 -2.270 7.565 9.942 1.00 0.00 C ATOM 630 OE1 GLU A 43 -1.899 6.963 10.972 1.00 0.00 O ATOM 631 OE2 GLU A 43 -3.160 8.441 9.883 1.00 0.00 O ATOM 0 H GLU A 43 -2.552 4.272 6.642 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.498 6.235 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.567 5.299 8.387 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.066 5.205 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.553 7.583 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.088 7.668 7.795 1.00 0.00 H new ATOM 638 N ILE A 44 0.228 3.265 7.907 1.00 0.00 N ATOM 639 CA ILE A 44 1.327 2.376 8.243 1.00 0.00 C ATOM 640 C ILE A 44 2.071 1.985 6.965 1.00 0.00 C ATOM 641 O ILE A 44 3.218 1.546 7.020 1.00 0.00 O ATOM 642 CB ILE A 44 0.821 1.180 9.051 1.00 0.00 C ATOM 643 CG1 ILE A 44 0.249 1.629 10.398 1.00 0.00 C ATOM 644 CG2 ILE A 44 1.918 0.127 9.217 1.00 0.00 C ATOM 645 CD1 ILE A 44 -1.059 0.900 10.709 1.00 0.00 C ATOM 0 H ILE A 44 -0.701 2.866 8.044 1.00 0.00 H new ATOM 0 HA ILE A 44 2.045 2.885 8.886 1.00 0.00 H new ATOM 0 HB ILE A 44 0.007 0.713 8.496 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.974 1.435 11.188 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.075 2.705 10.383 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.532 -0.713 9.795 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.237 -0.224 8.236 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.768 0.566 9.739 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.444 1.238 11.671 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.790 1.116 9.930 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.877 -0.174 10.748 1.00 0.00 H new ATOM 657 N THR A 45 1.386 2.158 5.844 1.00 0.00 N ATOM 658 CA THR A 45 1.967 1.828 4.553 1.00 0.00 C ATOM 659 C THR A 45 3.143 2.756 4.245 1.00 0.00 C ATOM 660 O THR A 45 4.225 2.295 3.885 1.00 0.00 O ATOM 661 CB THR A 45 0.855 1.888 3.505 1.00 0.00 C ATOM 662 OG1 THR A 45 -0.303 1.434 4.200 1.00 0.00 O ATOM 663 CG2 THR A 45 1.046 0.858 2.389 1.00 0.00 C ATOM 0 H THR A 45 0.434 2.522 5.803 1.00 0.00 H new ATOM 0 HA THR A 45 2.380 0.819 4.551 1.00 0.00 H new ATOM 0 HB THR A 45 0.817 2.888 3.074 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.219 0.475 4.384 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.230 0.943 1.672 1.00 0.00 H new ATOM 0 HG22 THR A 45 1.994 1.041 1.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.051 -0.145 2.816 1.00 0.00 H new ATOM 671 N THR A 46 2.892 4.048 4.398 1.00 0.00 N ATOM 672 CA THR A 46 3.916 5.046 4.141 1.00 0.00 C ATOM 673 C THR A 46 5.038 4.937 5.175 1.00 0.00 C ATOM 674 O THR A 46 6.194 5.234 4.876 1.00 0.00 O ATOM 675 CB THR A 46 3.243 6.420 4.116 1.00 0.00 C ATOM 676 OG1 THR A 46 2.930 6.677 5.482 1.00 0.00 O ATOM 677 CG2 THR A 46 1.881 6.392 3.420 1.00 0.00 C ATOM 0 H THR A 46 1.993 4.427 4.697 1.00 0.00 H new ATOM 0 HA THR A 46 4.392 4.884 3.174 1.00 0.00 H new ATOM 0 HB THR A 46 3.893 7.134 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.345 5.968 5.823 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.447 7.392 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.006 6.061 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.218 5.703 3.944 1.00 0.00 H new ATOM 685 N ASP A 47 4.658 4.510 6.370 1.00 0.00 N ATOM 686 CA ASP A 47 5.618 4.358 7.451 1.00 0.00 C ATOM 687 C ASP A 47 6.799 3.517 6.964 1.00 0.00 C ATOM 688 O ASP A 47 7.889 3.584 7.530 1.00 0.00 O ATOM 689 CB ASP A 47 4.990 3.643 8.649 1.00 0.00 C ATOM 690 CG ASP A 47 4.818 4.507 9.900 1.00 0.00 C ATOM 691 OD1 ASP A 47 4.850 5.746 9.743 1.00 0.00 O ATOM 692 OD2 ASP A 47 4.657 3.908 10.985 1.00 0.00 O ATOM 0 H ASP A 47 3.699 4.264 6.614 1.00 0.00 H new ATOM 0 HA ASP A 47 5.944 5.353 7.755 1.00 0.00 H new ATOM 0 HB2 ASP A 47 4.013 3.260 8.353 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.607 2.781 8.903 1.00 0.00 H new ATOM 697 N ASN A 48 6.543 2.744 5.919 1.00 0.00 N ATOM 698 CA ASN A 48 7.571 1.890 5.349 1.00 0.00 C ATOM 699 C ASN A 48 8.409 2.700 4.357 1.00 0.00 C ATOM 700 O ASN A 48 9.636 2.616 4.362 1.00 0.00 O ATOM 701 CB ASN A 48 6.953 0.712 4.594 1.00 0.00 C ATOM 702 CG ASN A 48 5.826 0.070 5.406 1.00 0.00 C ATOM 703 OD1 ASN A 48 6.002 -0.343 6.540 1.00 0.00 O ATOM 704 ND2 ASN A 48 4.663 0.010 4.764 1.00 0.00 N ATOM 0 H ASN A 48 5.638 2.691 5.452 1.00 0.00 H new ATOM 0 HA ASN A 48 8.186 1.512 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.565 1.054 3.634 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.721 -0.031 4.381 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.849 -0.401 5.221 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.585 0.375 3.815 1.00 0.00 H new ATOM 711 N ILE A 49 7.712 3.467 3.531 1.00 0.00 N ATOM 712 CA ILE A 49 8.376 4.291 2.536 1.00 0.00 C ATOM 713 C ILE A 49 9.057 5.473 3.231 1.00 0.00 C ATOM 714 O ILE A 49 10.239 5.729 3.012 1.00 0.00 O ATOM 715 CB ILE A 49 7.392 4.706 1.440 1.00 0.00 C ATOM 716 CG1 ILE A 49 6.692 3.484 0.842 1.00 0.00 C ATOM 717 CG2 ILE A 49 8.087 5.550 0.370 1.00 0.00 C ATOM 718 CD1 ILE A 49 5.179 3.700 0.769 1.00 0.00 C ATOM 0 H ILE A 49 6.694 3.535 3.531 1.00 0.00 H new ATOM 0 HA ILE A 49 9.158 3.723 2.032 1.00 0.00 H new ATOM 0 HB ILE A 49 6.621 5.331 1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.084 3.288 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 49 6.909 2.604 1.447 1.00 0.00 H new ATOM 0 HG21 ILE A 49 7.365 5.832 -0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.500 6.449 0.827 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.892 4.971 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.706 2.817 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.787 3.871 1.772 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.965 4.566 0.143 1.00 0.00 H new ATOM 730 N LEU A 50 8.280 6.161 4.054 1.00 0.00 N ATOM 731 CA LEU A 50 8.792 7.309 4.783 1.00 0.00 C ATOM 732 C LEU A 50 10.085 6.916 5.501 1.00 0.00 C ATOM 733 O LEU A 50 10.944 7.761 5.747 1.00 0.00 O ATOM 734 CB LEU A 50 7.719 7.876 5.713 1.00 0.00 C ATOM 735 CG LEU A 50 6.780 8.917 5.100 1.00 0.00 C ATOM 736 CD1 LEU A 50 5.317 8.497 5.258 1.00 0.00 C ATOM 737 CD2 LEU A 50 7.044 10.306 5.684 1.00 0.00 C ATOM 0 H LEU A 50 7.299 5.946 4.232 1.00 0.00 H new ATOM 0 HA LEU A 50 9.042 8.117 4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.117 7.048 6.087 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.214 8.325 6.574 1.00 0.00 H new ATOM 0 HG LEU A 50 6.985 8.974 4.031 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.671 9.254 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.156 7.543 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.080 8.394 6.317 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.363 11.027 5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.884 10.284 6.762 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.073 10.599 5.476 1.00 0.00 H new ATOM 749 N GLU A 51 10.181 5.633 5.818 1.00 0.00 N ATOM 750 CA GLU A 51 11.354 5.118 6.504 1.00 0.00 C ATOM 751 C GLU A 51 12.167 4.223 5.566 1.00 0.00 C ATOM 752 O GLU A 51 12.952 3.393 6.021 1.00 0.00 O ATOM 753 CB GLU A 51 10.959 4.364 7.776 1.00 0.00 C ATOM 754 CG GLU A 51 10.618 5.337 8.906 1.00 0.00 C ATOM 755 CD GLU A 51 10.586 4.618 10.257 1.00 0.00 C ATOM 756 OE1 GLU A 51 11.675 4.193 10.700 1.00 0.00 O ATOM 757 OE2 GLU A 51 9.473 4.510 10.815 1.00 0.00 O ATOM 0 H GLU A 51 9.466 4.935 5.613 1.00 0.00 H new ATOM 0 HA GLU A 51 11.977 5.962 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.101 3.723 7.572 1.00 0.00 H new ATOM 0 HB3 GLU A 51 11.777 3.713 8.086 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.355 6.140 8.934 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.650 5.800 8.713 1.00 0.00 H new ATOM 764 N GLY A 52 11.951 4.423 4.275 1.00 0.00 N ATOM 765 CA GLY A 52 12.653 3.645 3.269 1.00 0.00 C ATOM 766 C GLY A 52 12.772 2.180 3.694 1.00 0.00 C ATOM 767 O GLY A 52 13.824 1.748 4.162 1.00 0.00 O ATOM 0 H GLY A 52 11.299 5.113 3.902 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.123 3.710 2.319 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.647 4.063 3.109 1.00 0.00 H new ATOM 771 N ARG A 53 11.677 1.455 3.515 1.00 0.00 N ATOM 772 CA ARG A 53 11.645 0.047 3.874 1.00 0.00 C ATOM 773 C ARG A 53 11.489 -0.817 2.621 1.00 0.00 C ATOM 774 O ARG A 53 12.200 -1.806 2.452 1.00 0.00 O ATOM 775 CB ARG A 53 10.494 -0.250 4.836 1.00 0.00 C ATOM 776 CG ARG A 53 10.947 -0.117 6.291 1.00 0.00 C ATOM 777 CD ARG A 53 11.745 -1.345 6.732 1.00 0.00 C ATOM 778 NE ARG A 53 10.824 -2.453 7.069 1.00 0.00 N ATOM 779 CZ ARG A 53 11.146 -3.482 7.865 1.00 0.00 C ATOM 780 NH1 ARG A 53 12.368 -3.551 8.410 1.00 0.00 N ATOM 781 NH2 ARG A 53 10.245 -4.443 8.115 1.00 0.00 N ATOM 0 H ARG A 53 10.806 1.816 3.126 1.00 0.00 H new ATOM 0 HA ARG A 53 12.587 -0.190 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.669 0.436 4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.118 -1.258 4.659 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.558 0.778 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.077 0.007 6.936 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.422 -1.654 5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.361 -1.097 7.597 1.00 0.00 H new ATOM 0 HE ARG A 53 9.885 -2.432 6.671 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.054 -2.820 8.219 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.613 -4.334 9.016 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.315 -4.391 7.699 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.490 -5.226 8.721 1.00 0.00 H new ATOM 795 N ILE A 54 10.554 -0.411 1.774 1.00 0.00 N ATOM 796 CA ILE A 54 10.295 -1.136 0.541 1.00 0.00 C ATOM 797 C ILE A 54 11.297 -0.691 -0.526 1.00 0.00 C ATOM 798 O ILE A 54 11.086 0.316 -1.201 1.00 0.00 O ATOM 799 CB ILE A 54 8.834 -0.971 0.120 1.00 0.00 C ATOM 800 CG1 ILE A 54 7.890 -1.543 1.179 1.00 0.00 C ATOM 801 CG2 ILE A 54 8.589 -1.587 -1.259 1.00 0.00 C ATOM 802 CD1 ILE A 54 6.631 -0.684 1.312 1.00 0.00 C ATOM 0 H ILE A 54 9.967 0.411 1.917 1.00 0.00 H new ATOM 0 HA ILE A 54 10.441 -2.206 0.689 1.00 0.00 H new ATOM 0 HB ILE A 54 8.619 0.095 0.040 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.612 -2.563 0.911 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.403 -1.594 2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.543 -1.456 -1.535 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.223 -1.094 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 54 8.827 -2.650 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.977 -1.112 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.910 0.329 1.603 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.108 -0.655 0.356 1.00 0.00 H new ATOM 814 N GLN A 55 12.367 -1.464 -0.647 1.00 0.00 N ATOM 815 CA GLN A 55 13.402 -1.162 -1.621 1.00 0.00 C ATOM 816 C GLN A 55 13.609 -2.352 -2.561 1.00 0.00 C ATOM 817 O GLN A 55 14.333 -3.289 -2.232 1.00 0.00 O ATOM 818 CB GLN A 55 14.711 -0.777 -0.929 1.00 0.00 C ATOM 819 CG GLN A 55 14.887 0.742 -0.897 1.00 0.00 C ATOM 820 CD GLN A 55 15.369 1.210 0.479 1.00 0.00 C ATOM 821 OE1 GLN A 55 16.228 0.608 1.101 1.00 0.00 O ATOM 822 NE2 GLN A 55 14.768 2.313 0.916 1.00 0.00 N ATOM 0 H GLN A 55 12.539 -2.299 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 55 13.077 -0.307 -2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.718 -1.169 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 55 15.551 -1.233 -1.452 1.00 0.00 H new ATOM 0 HG2 GLN A 55 15.604 1.045 -1.660 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.941 1.226 -1.139 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.056 2.767 0.343 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.019 2.705 1.824 1.00 0.00 H new ATOM 831 N VAL A 56 12.958 -2.274 -3.713 1.00 0.00 N ATOM 832 CA VAL A 56 13.062 -3.333 -4.703 1.00 0.00 C ATOM 833 C VAL A 56 13.371 -2.718 -6.070 1.00 0.00 C ATOM 834 O VAL A 56 12.460 -2.356 -6.812 1.00 0.00 O ATOM 835 CB VAL A 56 11.785 -4.176 -4.703 1.00 0.00 C ATOM 836 CG1 VAL A 56 11.805 -5.200 -5.839 1.00 0.00 C ATOM 837 CG2 VAL A 56 11.582 -4.862 -3.350 1.00 0.00 C ATOM 0 H VAL A 56 12.357 -1.495 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 56 13.882 -4.008 -4.456 1.00 0.00 H new ATOM 0 HB VAL A 56 10.941 -3.507 -4.870 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.886 -5.786 -5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.882 -4.682 -6.795 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.661 -5.863 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 56 10.668 -5.455 -3.376 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.431 -5.513 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 56 11.503 -4.107 -2.568 1.00 0.00 H new ATOM 847 N PRO A 57 14.694 -2.617 -6.368 1.00 0.00 N ATOM 848 CA PRO A 57 15.136 -2.052 -7.632 1.00 0.00 C ATOM 849 C PRO A 57 14.917 -3.040 -8.780 1.00 0.00 C ATOM 850 O PRO A 57 15.876 -3.570 -9.339 1.00 0.00 O ATOM 851 CB PRO A 57 16.600 -1.705 -7.418 1.00 0.00 C ATOM 852 CG PRO A 57 17.046 -2.509 -6.208 1.00 0.00 C ATOM 853 CD PRO A 57 15.801 -3.036 -5.513 1.00 0.00 C ATOM 0 HA PRO A 57 14.569 -1.166 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.194 -1.959 -8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 57 16.727 -0.636 -7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 57 17.690 -3.333 -6.514 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.627 -1.886 -5.529 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.834 -4.121 -5.411 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.704 -2.624 -4.509 1.00 0.00 H new ATOM 861 N PHE A 58 13.649 -3.259 -9.097 1.00 0.00 N ATOM 862 CA PHE A 58 13.292 -4.174 -10.168 1.00 0.00 C ATOM 863 C PHE A 58 13.322 -3.468 -11.525 1.00 0.00 C ATOM 864 O PHE A 58 14.222 -3.701 -12.330 1.00 0.00 O ATOM 865 CB PHE A 58 11.867 -4.656 -9.888 1.00 0.00 C ATOM 866 CG PHE A 58 11.370 -5.726 -10.862 1.00 0.00 C ATOM 867 CD1 PHE A 58 12.029 -6.912 -10.963 1.00 0.00 C ATOM 868 CD2 PHE A 58 10.270 -5.492 -11.626 1.00 0.00 C ATOM 869 CE1 PHE A 58 11.567 -7.905 -11.867 1.00 0.00 C ATOM 870 CE2 PHE A 58 9.808 -6.486 -12.529 1.00 0.00 C ATOM 871 CZ PHE A 58 10.467 -7.671 -12.631 1.00 0.00 C ATOM 0 H PHE A 58 12.856 -2.818 -8.631 1.00 0.00 H new ATOM 0 HA PHE A 58 14.001 -5.001 -10.203 1.00 0.00 H new ATOM 0 HB2 PHE A 58 11.821 -5.053 -8.874 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.191 -3.802 -9.927 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.903 -7.098 -10.356 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.748 -4.550 -11.546 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.090 -8.847 -11.948 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.933 -6.301 -13.135 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.117 -8.426 -13.319 1.00 0.00 H new TER 881 PHE A 58