USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 658 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 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= 0.0902 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.46 X(o=-0.46,f=-0.2) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -124:sc= 0.979 USER MOD Single : A 42 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.18) USER MOD Single : A 47 GLN : amide:sc= -4.73! C(o=-4.7!,f=-8.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.4) USER MOD Single : A 69 TYR OH : rot -15:sc= 0.211 USER MOD Single : A 72 CYS SG : rot 43:sc= -1.64! USER MOD Single : A 76 GLN : amide:sc= -4.33 K(o=-4.3,f=-14!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 114:sc= 0.248 USER MOD Single : A 88 GLN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.886 -4.615 -3.764 1.00 0.00 N ATOM 2 CA GLY A 1 -24.910 -4.651 -5.252 1.00 0.00 C ATOM 3 C GLY A 1 -23.635 -4.108 -5.867 1.00 0.00 C ATOM 4 O GLY A 1 -22.761 -4.873 -6.276 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.780 -4.997 -3.393 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.093 -5.190 -3.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.769 -3.633 -3.442 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.061 -5.678 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -25.759 -4.071 -5.613 1.00 0.00 H new ATOM 10 N SER A 2 -23.528 -2.786 -5.932 1.00 0.00 N ATOM 11 CA SER A 2 -22.351 -2.141 -6.500 1.00 0.00 C ATOM 12 C SER A 2 -21.097 -2.509 -5.715 1.00 0.00 C ATOM 13 O SER A 2 -20.116 -2.990 -6.283 1.00 0.00 O ATOM 14 CB SER A 2 -22.532 -0.621 -6.514 1.00 0.00 C ATOM 15 OG SER A 2 -23.051 -0.180 -7.756 1.00 0.00 O ATOM 0 H SER A 2 -24.243 -2.140 -5.598 1.00 0.00 H new ATOM 0 HA SER A 2 -22.233 -2.494 -7.524 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.205 -0.325 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.575 -0.136 -6.324 1.00 0.00 H new ATOM 0 HG SER A 2 -23.159 0.794 -7.738 1.00 0.00 H new ATOM 21 N SER A 3 -21.134 -2.279 -4.407 1.00 0.00 N ATOM 22 CA SER A 3 -20.000 -2.587 -3.544 1.00 0.00 C ATOM 23 C SER A 3 -19.683 -4.078 -3.574 1.00 0.00 C ATOM 24 O SER A 3 -20.224 -4.854 -2.785 1.00 0.00 O ATOM 25 CB SER A 3 -20.290 -2.143 -2.109 1.00 0.00 C ATOM 26 OG SER A 3 -21.681 -2.162 -1.840 1.00 0.00 O ATOM 0 H SER A 3 -21.937 -1.880 -3.921 1.00 0.00 H new ATOM 0 HA SER A 3 -19.132 -2.043 -3.917 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.772 -2.800 -1.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.900 -1.138 -1.950 1.00 0.00 H new ATOM 0 HG SER A 3 -21.839 -1.876 -0.916 1.00 0.00 H new ATOM 32 N GLY A 4 -18.802 -4.473 -4.487 1.00 0.00 N ATOM 33 CA GLY A 4 -18.428 -5.870 -4.603 1.00 0.00 C ATOM 34 C GLY A 4 -17.465 -6.120 -5.745 1.00 0.00 C ATOM 35 O GLY A 4 -17.721 -6.958 -6.609 1.00 0.00 O ATOM 0 H GLY A 4 -18.340 -3.850 -5.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.972 -6.200 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.325 -6.472 -4.750 1.00 0.00 H new ATOM 39 N SER A 5 -16.354 -5.391 -5.751 1.00 0.00 N ATOM 40 CA SER A 5 -15.349 -5.537 -6.798 1.00 0.00 C ATOM 41 C SER A 5 -14.465 -6.752 -6.537 1.00 0.00 C ATOM 42 O SER A 5 -14.656 -7.473 -5.558 1.00 0.00 O ATOM 43 CB SER A 5 -14.488 -4.275 -6.887 1.00 0.00 C ATOM 44 OG SER A 5 -15.082 -3.311 -7.738 1.00 0.00 O ATOM 0 H SER A 5 -16.127 -4.693 -5.043 1.00 0.00 H new ATOM 0 HA SER A 5 -15.866 -5.683 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.353 -3.852 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.497 -4.533 -7.260 1.00 0.00 H new ATOM 0 HG SER A 5 -14.513 -2.514 -7.776 1.00 0.00 H new ATOM 50 N SER A 6 -13.498 -6.974 -7.421 1.00 0.00 N ATOM 51 CA SER A 6 -12.583 -8.102 -7.288 1.00 0.00 C ATOM 52 C SER A 6 -11.132 -7.637 -7.350 1.00 0.00 C ATOM 53 O SER A 6 -10.808 -6.676 -8.046 1.00 0.00 O ATOM 54 CB SER A 6 -12.849 -9.133 -8.386 1.00 0.00 C ATOM 55 OG SER A 6 -12.442 -10.429 -7.980 1.00 0.00 O ATOM 0 H SER A 6 -13.328 -6.387 -8.238 1.00 0.00 H new ATOM 0 HA SER A 6 -12.755 -8.564 -6.316 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.911 -9.142 -8.631 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.315 -8.849 -9.293 1.00 0.00 H new ATOM 0 HG SER A 6 -12.624 -11.069 -8.699 1.00 0.00 H new ATOM 61 N GLY A 7 -10.263 -8.327 -6.618 1.00 0.00 N ATOM 62 CA GLY A 7 -8.856 -7.969 -6.605 1.00 0.00 C ATOM 63 C GLY A 7 -7.994 -8.984 -7.328 1.00 0.00 C ATOM 64 O GLY A 7 -7.160 -9.650 -6.715 1.00 0.00 O ATOM 0 H GLY A 7 -10.507 -9.127 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.729 -6.991 -7.070 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.517 -7.878 -5.573 1.00 0.00 H new ATOM 68 N ALA A 8 -8.195 -9.104 -8.636 1.00 0.00 N ATOM 69 CA ALA A 8 -7.431 -10.045 -9.445 1.00 0.00 C ATOM 70 C ALA A 8 -6.300 -9.339 -10.187 1.00 0.00 C ATOM 71 O ALA A 8 -6.235 -8.111 -10.218 1.00 0.00 O ATOM 72 CB ALA A 8 -8.345 -10.759 -10.429 1.00 0.00 C ATOM 0 H ALA A 8 -8.882 -8.560 -9.159 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.987 -10.783 -8.777 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.761 -11.459 -11.027 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.114 -11.304 -9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.816 -10.027 -11.085 1.00 0.00 H new ATOM 78 N ALA A 9 -5.410 -10.126 -10.783 1.00 0.00 N ATOM 79 CA ALA A 9 -4.282 -9.578 -11.526 1.00 0.00 C ATOM 80 C ALA A 9 -3.398 -8.719 -10.627 1.00 0.00 C ATOM 81 O ALA A 9 -2.787 -7.752 -11.082 1.00 0.00 O ATOM 82 CB ALA A 9 -4.777 -8.766 -12.713 1.00 0.00 C ATOM 0 H ALA A 9 -5.449 -11.145 -10.766 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.682 -10.410 -11.894 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.924 -8.363 -13.259 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.361 -9.407 -13.374 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.401 -7.946 -12.358 1.00 0.00 H new ATOM 88 N GLU A 10 -3.334 -9.080 -9.349 1.00 0.00 N ATOM 89 CA GLU A 10 -2.525 -8.341 -8.387 1.00 0.00 C ATOM 90 C GLU A 10 -2.194 -9.209 -7.177 1.00 0.00 C ATOM 91 O GLU A 10 -3.069 -9.866 -6.613 1.00 0.00 O ATOM 92 CB GLU A 10 -3.256 -7.075 -7.939 1.00 0.00 C ATOM 93 CG GLU A 10 -2.356 -5.854 -7.842 1.00 0.00 C ATOM 94 CD GLU A 10 -2.006 -5.279 -9.201 1.00 0.00 C ATOM 95 OE1 GLU A 10 -2.928 -5.105 -10.026 1.00 0.00 O ATOM 96 OE2 GLU A 10 -0.813 -5.003 -9.440 1.00 0.00 O ATOM 0 H GLU A 10 -3.832 -9.879 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.592 -8.058 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -4.064 -6.865 -8.639 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.715 -7.255 -6.967 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.851 -5.089 -7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.439 -6.124 -7.318 1.00 0.00 H new ATOM 103 N VAL A 11 -0.924 -9.206 -6.783 1.00 0.00 N ATOM 104 CA VAL A 11 -0.477 -9.993 -5.640 1.00 0.00 C ATOM 105 C VAL A 11 0.521 -9.212 -4.792 1.00 0.00 C ATOM 106 O VAL A 11 1.366 -8.487 -5.319 1.00 0.00 O ATOM 107 CB VAL A 11 0.172 -11.315 -6.088 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.887 -12.297 -6.564 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.204 -11.061 -7.177 1.00 0.00 C ATOM 0 H VAL A 11 -0.187 -8.667 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.362 -10.215 -5.043 1.00 0.00 H new ATOM 0 HB VAL A 11 0.682 -11.756 -5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.408 -13.225 -6.876 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.583 -12.503 -5.751 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.429 -11.867 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.652 -12.007 -7.481 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.720 -10.596 -8.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.980 -10.398 -6.795 1.00 0.00 H new ATOM 119 N GLY A 12 0.418 -9.364 -3.476 1.00 0.00 N ATOM 120 CA GLY A 12 1.318 -8.666 -2.576 1.00 0.00 C ATOM 121 C GLY A 12 2.656 -9.366 -2.438 1.00 0.00 C ATOM 122 O GLY A 12 2.870 -10.430 -3.017 1.00 0.00 O ATOM 0 H GLY A 12 -0.272 -9.958 -3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.478 -7.652 -2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.852 -8.582 -1.594 1.00 0.00 H new ATOM 126 N ASP A 13 3.560 -8.765 -1.669 1.00 0.00 N ATOM 127 CA ASP A 13 4.883 -9.337 -1.457 1.00 0.00 C ATOM 128 C ASP A 13 4.854 -10.381 -0.345 1.00 0.00 C ATOM 129 O ASP A 13 3.785 -10.787 0.110 1.00 0.00 O ATOM 130 CB ASP A 13 5.888 -8.235 -1.114 1.00 0.00 C ATOM 131 CG ASP A 13 7.237 -8.458 -1.769 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.330 -8.304 -3.005 1.00 0.00 O ATOM 133 OD2 ASP A 13 8.201 -8.788 -1.046 1.00 0.00 O ATOM 0 H ASP A 13 3.399 -7.883 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 13 5.192 -9.827 -2.380 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.488 -7.271 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.016 -8.187 -0.033 1.00 0.00 H new ATOM 138 N ASP A 14 6.035 -10.812 0.088 1.00 0.00 N ATOM 139 CA ASP A 14 6.143 -11.808 1.146 1.00 0.00 C ATOM 140 C ASP A 14 6.611 -11.169 2.450 1.00 0.00 C ATOM 141 O ASP A 14 6.126 -11.510 3.530 1.00 0.00 O ATOM 142 CB ASP A 14 7.112 -12.918 0.734 1.00 0.00 C ATOM 143 CG ASP A 14 6.430 -14.013 -0.064 1.00 0.00 C ATOM 144 OD1 ASP A 14 5.657 -13.682 -0.987 1.00 0.00 O ATOM 145 OD2 ASP A 14 6.671 -15.202 0.235 1.00 0.00 O ATOM 0 H ASP A 14 6.930 -10.487 -0.278 1.00 0.00 H new ATOM 0 HA ASP A 14 5.154 -12.238 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.920 -12.490 0.141 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.565 -13.351 1.626 1.00 0.00 H new ATOM 150 N PHE A 15 7.556 -10.241 2.343 1.00 0.00 N ATOM 151 CA PHE A 15 8.089 -9.554 3.513 1.00 0.00 C ATOM 152 C PHE A 15 7.401 -8.208 3.716 1.00 0.00 C ATOM 153 O PHE A 15 7.235 -7.436 2.771 1.00 0.00 O ATOM 154 CB PHE A 15 9.598 -9.352 3.369 1.00 0.00 C ATOM 155 CG PHE A 15 10.311 -9.189 4.681 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.203 -8.010 5.402 1.00 0.00 C ATOM 157 CD2 PHE A 15 11.089 -10.215 5.194 1.00 0.00 C ATOM 158 CE1 PHE A 15 10.857 -7.857 6.609 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.745 -10.067 6.400 1.00 0.00 C ATOM 160 CZ PHE A 15 11.630 -8.888 7.109 1.00 0.00 C ATOM 0 H PHE A 15 7.968 -9.947 1.458 1.00 0.00 H new ATOM 0 HA PHE A 15 7.894 -10.176 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.021 -10.205 2.839 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.781 -8.471 2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.600 -7.201 5.015 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.183 -11.140 4.645 1.00 0.00 H new ATOM 0 HE1 PHE A 15 10.765 -6.933 7.161 1.00 0.00 H new ATOM 0 HE2 PHE A 15 12.348 -10.874 6.789 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.143 -8.772 8.052 1.00 0.00 H new ATOM 170 N LEU A 16 7.003 -7.934 4.954 1.00 0.00 N ATOM 171 CA LEU A 16 6.333 -6.680 5.281 1.00 0.00 C ATOM 172 C LEU A 16 7.347 -5.606 5.665 1.00 0.00 C ATOM 173 O LEU A 16 8.095 -5.761 6.630 1.00 0.00 O ATOM 174 CB LEU A 16 5.336 -6.894 6.423 1.00 0.00 C ATOM 175 CG LEU A 16 3.870 -6.980 5.995 1.00 0.00 C ATOM 176 CD1 LEU A 16 3.120 -7.986 6.854 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.212 -5.611 6.076 1.00 0.00 C ATOM 0 H LEU A 16 7.132 -8.563 5.747 1.00 0.00 H new ATOM 0 HA LEU A 16 5.793 -6.342 4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.600 -7.812 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.443 -6.077 7.136 1.00 0.00 H new ATOM 0 HG LEU A 16 3.832 -7.320 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.079 -8.033 6.534 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.578 -8.969 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.165 -7.678 7.899 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.169 -5.690 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.261 -5.244 7.101 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.734 -4.917 5.417 1.00 0.00 H new ATOM 189 N GLY A 17 7.365 -4.518 4.903 1.00 0.00 N ATOM 190 CA GLY A 17 8.290 -3.435 5.179 1.00 0.00 C ATOM 191 C GLY A 17 8.097 -2.846 6.563 1.00 0.00 C ATOM 192 O GLY A 17 7.011 -2.932 7.136 1.00 0.00 O ATOM 0 H GLY A 17 6.756 -4.367 4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.312 -3.801 5.083 1.00 0.00 H new ATOM 0 HA3 GLY A 17 8.160 -2.651 4.433 1.00 0.00 H new ATOM 196 N ASP A 18 9.154 -2.246 7.101 1.00 0.00 N ATOM 197 CA ASP A 18 9.095 -1.641 8.427 1.00 0.00 C ATOM 198 C ASP A 18 8.347 -0.312 8.386 1.00 0.00 C ATOM 199 O ASP A 18 8.935 0.751 8.587 1.00 0.00 O ATOM 200 CB ASP A 18 10.508 -1.431 8.977 1.00 0.00 C ATOM 201 CG ASP A 18 10.524 -1.276 10.485 1.00 0.00 C ATOM 202 OD1 ASP A 18 10.143 -2.237 11.184 1.00 0.00 O ATOM 203 OD2 ASP A 18 10.919 -0.192 10.966 1.00 0.00 O ATOM 0 H ASP A 18 10.060 -2.166 6.640 1.00 0.00 H new ATOM 0 HA ASP A 18 8.554 -2.320 9.086 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.134 -2.277 8.695 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.945 -0.544 8.519 1.00 0.00 H new ATOM 208 N PHE A 19 7.046 -0.380 8.121 1.00 0.00 N ATOM 209 CA PHE A 19 6.216 0.818 8.053 1.00 0.00 C ATOM 210 C PHE A 19 5.148 0.803 9.142 1.00 0.00 C ATOM 211 O PHE A 19 4.319 -0.105 9.200 1.00 0.00 O ATOM 212 CB PHE A 19 5.555 0.927 6.677 1.00 0.00 C ATOM 213 CG PHE A 19 6.535 0.925 5.538 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.234 2.074 5.206 1.00 0.00 C ATOM 215 CD2 PHE A 19 6.757 -0.227 4.800 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.136 2.076 4.159 1.00 0.00 C ATOM 217 CE2 PHE A 19 7.658 -0.232 3.752 1.00 0.00 C ATOM 218 CZ PHE A 19 8.348 0.921 3.431 1.00 0.00 C ATOM 0 H PHE A 19 6.544 -1.251 7.950 1.00 0.00 H new ATOM 0 HA PHE A 19 6.858 1.684 8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.861 0.096 6.550 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.966 1.843 6.637 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.072 2.979 5.772 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.220 -1.131 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.674 2.979 3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.822 -1.136 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.052 0.920 2.612 1.00 0.00 H new ATOM 228 N VAL A 20 5.177 1.813 10.004 1.00 0.00 N ATOM 229 CA VAL A 20 4.212 1.916 11.093 1.00 0.00 C ATOM 230 C VAL A 20 2.921 2.575 10.621 1.00 0.00 C ATOM 231 O VAL A 20 2.848 3.099 9.509 1.00 0.00 O ATOM 232 CB VAL A 20 4.782 2.721 12.275 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.856 1.921 12.998 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.334 4.055 11.797 1.00 0.00 C ATOM 0 H VAL A 20 5.858 2.572 9.970 1.00 0.00 H new ATOM 0 HA VAL A 20 4.000 0.900 11.424 1.00 0.00 H new ATOM 0 HB VAL A 20 3.973 2.919 12.978 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.247 2.506 13.830 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.426 0.994 13.377 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.665 1.689 12.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.732 4.609 12.647 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.129 3.881 11.072 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.537 4.632 11.329 1.00 0.00 H new ATOM 244 N VAL A 21 1.901 2.546 11.474 1.00 0.00 N ATOM 245 CA VAL A 21 0.611 3.140 11.143 1.00 0.00 C ATOM 246 C VAL A 21 0.567 4.612 11.541 1.00 0.00 C ATOM 247 O VAL A 21 0.529 4.944 12.726 1.00 0.00 O ATOM 248 CB VAL A 21 -0.545 2.398 11.840 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.886 2.901 11.331 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.416 0.896 11.632 1.00 0.00 C ATOM 0 H VAL A 21 1.943 2.118 12.399 1.00 0.00 H new ATOM 0 HA VAL A 21 0.490 3.053 10.063 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.491 2.600 12.910 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.691 2.365 11.835 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.976 3.968 11.536 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.954 2.731 10.256 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.241 0.387 12.131 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.444 0.673 10.565 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.529 0.551 12.050 1.00 0.00 H new ATOM 260 N GLY A 22 0.572 5.490 10.543 1.00 0.00 N ATOM 261 CA GLY A 22 0.531 6.916 10.809 1.00 0.00 C ATOM 262 C GLY A 22 1.790 7.627 10.352 1.00 0.00 C ATOM 263 O GLY A 22 2.217 8.603 10.967 1.00 0.00 O ATOM 0 H GLY A 22 0.604 5.239 9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.332 7.352 10.306 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.393 7.079 11.878 1.00 0.00 H new ATOM 267 N GLU A 23 2.386 7.135 9.270 1.00 0.00 N ATOM 268 CA GLU A 23 3.604 7.729 8.732 1.00 0.00 C ATOM 269 C GLU A 23 3.415 8.126 7.271 1.00 0.00 C ATOM 270 O GLU A 23 2.448 7.719 6.627 1.00 0.00 O ATOM 271 CB GLU A 23 4.774 6.750 8.858 1.00 0.00 C ATOM 272 CG GLU A 23 4.596 5.482 8.041 1.00 0.00 C ATOM 273 CD GLU A 23 5.897 4.723 7.854 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.212 3.867 8.707 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.598 4.986 6.855 1.00 0.00 O ATOM 0 H GLU A 23 2.045 6.327 8.749 1.00 0.00 H new ATOM 0 HA GLU A 23 3.826 8.626 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.690 7.249 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.901 6.482 9.907 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.870 4.835 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.185 5.738 7.064 1.00 0.00 H new ATOM 282 N ARG A 24 4.343 8.926 6.756 1.00 0.00 N ATOM 283 CA ARG A 24 4.279 9.378 5.371 1.00 0.00 C ATOM 284 C ARG A 24 5.231 8.577 4.490 1.00 0.00 C ATOM 285 O ARG A 24 6.447 8.613 4.680 1.00 0.00 O ATOM 286 CB ARG A 24 4.618 10.868 5.283 1.00 0.00 C ATOM 287 CG ARG A 24 3.599 11.764 5.970 1.00 0.00 C ATOM 288 CD ARG A 24 2.563 12.285 4.986 1.00 0.00 C ATOM 289 NE ARG A 24 2.906 13.613 4.483 1.00 0.00 N ATOM 290 CZ ARG A 24 2.385 14.145 3.379 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.497 13.466 2.662 1.00 0.00 N ATOM 292 NH2 ARG A 24 2.751 15.359 2.991 1.00 0.00 N ATOM 0 H ARG A 24 5.148 9.274 7.277 1.00 0.00 H new ATOM 0 HA ARG A 24 3.262 9.220 5.012 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.598 11.037 5.730 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.693 11.154 4.234 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.101 11.208 6.764 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.110 12.604 6.441 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.476 11.592 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.588 12.322 5.472 1.00 0.00 H new ATOM 0 HE ARG A 24 3.584 14.165 5.008 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.211 12.532 2.956 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.101 13.878 1.817 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.432 15.886 3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.352 15.766 2.145 1.00 0.00 H new ATOM 306 N VAL A 25 4.670 7.851 3.528 1.00 0.00 N ATOM 307 CA VAL A 25 5.470 7.041 2.618 1.00 0.00 C ATOM 308 C VAL A 25 5.140 7.360 1.163 1.00 0.00 C ATOM 309 O VAL A 25 3.989 7.629 0.822 1.00 0.00 O ATOM 310 CB VAL A 25 5.249 5.536 2.864 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.753 5.141 4.243 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.779 5.179 2.703 1.00 0.00 C ATOM 0 H VAL A 25 3.665 7.807 3.359 1.00 0.00 H new ATOM 0 HA VAL A 25 6.514 7.285 2.813 1.00 0.00 H new ATOM 0 HB VAL A 25 5.818 4.977 2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.589 4.075 4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.819 5.358 4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.214 5.706 5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.642 4.112 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.186 5.745 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.454 5.423 1.692 1.00 0.00 H new ATOM 322 N TRP A 26 6.159 7.328 0.310 1.00 0.00 N ATOM 323 CA TRP A 26 5.978 7.614 -1.108 1.00 0.00 C ATOM 324 C TRP A 26 5.630 6.345 -1.881 1.00 0.00 C ATOM 325 O TRP A 26 6.434 5.417 -1.963 1.00 0.00 O ATOM 326 CB TRP A 26 7.244 8.248 -1.687 1.00 0.00 C ATOM 327 CG TRP A 26 7.335 9.722 -1.442 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.248 10.716 -2.375 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.533 10.372 -0.181 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.379 11.943 -1.771 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.556 11.758 -0.424 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.693 9.916 1.131 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.731 12.691 0.595 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.868 10.842 2.141 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.885 12.216 1.869 1.00 0.00 C ATOM 0 H TRP A 26 7.118 7.107 0.576 1.00 0.00 H new ATOM 0 HA TRP A 26 5.150 8.316 -1.208 1.00 0.00 H new ATOM 0 HB2 TRP A 26 8.117 7.760 -1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.276 8.063 -2.761 1.00 0.00 H new ATOM 0 HD1 TRP A 26 7.098 10.560 -3.433 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.349 12.845 -2.247 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.680 8.859 1.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.745 13.751 0.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.994 10.501 3.158 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.022 12.915 2.681 1.00 0.00 H new ATOM 346 N VAL A 27 4.427 6.314 -2.445 1.00 0.00 N ATOM 347 CA VAL A 27 3.973 5.160 -3.212 1.00 0.00 C ATOM 348 C VAL A 27 4.511 5.202 -4.638 1.00 0.00 C ATOM 349 O VAL A 27 4.131 6.063 -5.431 1.00 0.00 O ATOM 350 CB VAL A 27 2.434 5.086 -3.258 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.981 3.775 -3.881 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.850 5.254 -1.865 1.00 0.00 C ATOM 0 H VAL A 27 3.750 7.074 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 27 4.357 4.274 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 27 2.067 5.902 -3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.892 3.741 -3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.369 3.702 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.357 2.941 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.763 5.199 -1.917 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.223 4.461 -1.216 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.145 6.222 -1.461 1.00 0.00 H new ATOM 362 N ASN A 28 5.399 4.266 -4.958 1.00 0.00 N ATOM 363 CA ASN A 28 5.990 4.195 -6.289 1.00 0.00 C ATOM 364 C ASN A 28 6.744 5.479 -6.619 1.00 0.00 C ATOM 365 O ASN A 28 6.834 5.876 -7.781 1.00 0.00 O ATOM 366 CB ASN A 28 4.907 3.940 -7.338 1.00 0.00 C ATOM 367 CG ASN A 28 4.494 2.483 -7.403 1.00 0.00 C ATOM 368 OD1 ASN A 28 4.023 1.914 -6.419 1.00 0.00 O ATOM 369 ND2 ASN A 28 4.673 1.869 -8.568 1.00 0.00 N ATOM 0 H ASN A 28 5.725 3.546 -4.313 1.00 0.00 H new ATOM 0 HA ASN A 28 6.699 3.367 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.034 4.552 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.271 4.255 -8.316 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.416 0.887 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.067 2.379 -9.358 1.00 0.00 H new ATOM 376 N GLY A 29 7.283 6.125 -5.591 1.00 0.00 N ATOM 377 CA GLY A 29 8.020 7.358 -5.793 1.00 0.00 C ATOM 378 C GLY A 29 7.182 8.436 -6.452 1.00 0.00 C ATOM 379 O GLY A 29 7.689 9.228 -7.245 1.00 0.00 O ATOM 0 H GLY A 29 7.222 5.816 -4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.383 7.722 -4.832 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.896 7.157 -6.409 1.00 0.00 H new ATOM 383 N VAL A 30 5.894 8.466 -6.122 1.00 0.00 N ATOM 384 CA VAL A 30 4.984 9.453 -6.686 1.00 0.00 C ATOM 385 C VAL A 30 4.682 10.560 -5.682 1.00 0.00 C ATOM 386 O VAL A 30 5.067 11.713 -5.878 1.00 0.00 O ATOM 387 CB VAL A 30 3.660 8.807 -7.134 1.00 0.00 C ATOM 388 CG1 VAL A 30 2.806 9.809 -7.897 1.00 0.00 C ATOM 389 CG2 VAL A 30 3.928 7.571 -7.979 1.00 0.00 C ATOM 0 H VAL A 30 5.459 7.817 -5.466 1.00 0.00 H new ATOM 0 HA VAL A 30 5.483 9.881 -7.556 1.00 0.00 H new ATOM 0 HB VAL A 30 3.109 8.499 -6.245 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.875 9.333 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.583 10.661 -7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.347 10.152 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.981 7.128 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.501 7.852 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.495 6.846 -7.394 1.00 0.00 H new ATOM 399 N LYS A 31 3.990 10.202 -4.605 1.00 0.00 N ATOM 400 CA LYS A 31 3.636 11.165 -3.569 1.00 0.00 C ATOM 401 C LYS A 31 3.519 10.482 -2.208 1.00 0.00 C ATOM 402 O LYS A 31 3.219 9.291 -2.126 1.00 0.00 O ATOM 403 CB LYS A 31 2.320 11.861 -3.918 1.00 0.00 C ATOM 404 CG LYS A 31 2.481 13.011 -4.899 1.00 0.00 C ATOM 405 CD LYS A 31 1.134 13.550 -5.351 1.00 0.00 C ATOM 406 CE LYS A 31 1.149 13.924 -6.825 1.00 0.00 C ATOM 407 NZ LYS A 31 0.373 15.167 -7.091 1.00 0.00 N ATOM 0 H LYS A 31 3.663 9.252 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 31 4.429 11.910 -3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.632 11.128 -4.340 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.863 12.237 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.056 13.811 -4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.049 12.674 -5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.363 12.801 -5.173 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.873 14.425 -4.755 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.179 14.062 -7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.734 13.104 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 0.408 15.387 -8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.616 15.028 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 0.784 15.955 -6.551 1.00 0.00 H new ATOM 421 N PRO A 32 3.755 11.232 -1.117 1.00 0.00 N ATOM 422 CA PRO A 32 3.675 10.693 0.244 1.00 0.00 C ATOM 423 C PRO A 32 2.241 10.387 0.662 1.00 0.00 C ATOM 424 O PRO A 32 1.319 11.143 0.354 1.00 0.00 O ATOM 425 CB PRO A 32 4.255 11.817 1.105 1.00 0.00 C ATOM 426 CG PRO A 32 4.012 13.059 0.320 1.00 0.00 C ATOM 427 CD PRO A 32 4.119 12.662 -1.127 1.00 0.00 C ATOM 0 HA PRO A 32 4.207 9.747 0.340 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.767 11.862 2.079 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.319 11.666 1.289 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.028 13.473 0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.744 13.827 0.569 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.444 13.244 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.126 12.818 -1.513 1.00 0.00 H new ATOM 435 N GLY A 33 2.060 9.275 1.366 1.00 0.00 N ATOM 436 CA GLY A 33 0.735 8.889 1.816 1.00 0.00 C ATOM 437 C GLY A 33 0.727 8.412 3.254 1.00 0.00 C ATOM 438 O GLY A 33 1.712 7.852 3.736 1.00 0.00 O ATOM 0 H GLY A 33 2.807 8.634 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.059 9.738 1.714 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.352 8.097 1.172 1.00 0.00 H new ATOM 442 N VAL A 34 -0.388 8.635 3.943 1.00 0.00 N ATOM 443 CA VAL A 34 -0.520 8.224 5.336 1.00 0.00 C ATOM 444 C VAL A 34 -0.971 6.771 5.440 1.00 0.00 C ATOM 445 O VAL A 34 -2.073 6.421 5.017 1.00 0.00 O ATOM 446 CB VAL A 34 -1.523 9.115 6.092 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.499 8.804 7.580 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.224 10.586 5.843 1.00 0.00 C ATOM 0 H VAL A 34 -1.212 9.098 3.560 1.00 0.00 H new ATOM 0 HA VAL A 34 0.465 8.330 5.791 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.524 8.902 5.716 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.214 9.444 8.097 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.766 7.759 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.499 8.986 7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.943 11.200 6.385 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.216 10.816 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.298 10.797 4.776 1.00 0.00 H new ATOM 458 N VAL A 35 -0.113 5.930 6.007 1.00 0.00 N ATOM 459 CA VAL A 35 -0.423 4.514 6.167 1.00 0.00 C ATOM 460 C VAL A 35 -1.426 4.296 7.294 1.00 0.00 C ATOM 461 O VAL A 35 -1.227 4.763 8.415 1.00 0.00 O ATOM 462 CB VAL A 35 0.845 3.690 6.457 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.535 2.202 6.422 1.00 0.00 C ATOM 464 CG2 VAL A 35 1.946 4.037 5.468 1.00 0.00 C ATOM 0 H VAL A 35 0.803 6.204 6.363 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.858 4.177 5.226 1.00 0.00 H new ATOM 0 HB VAL A 35 1.197 3.940 7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.443 1.636 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.217 1.969 7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.156 1.932 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.834 3.445 5.689 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.607 3.819 4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.188 5.097 5.549 1.00 0.00 H new ATOM 474 N GLN A 36 -2.506 3.583 6.989 1.00 0.00 N ATOM 475 CA GLN A 36 -3.542 3.302 7.976 1.00 0.00 C ATOM 476 C GLN A 36 -3.647 1.804 8.244 1.00 0.00 C ATOM 477 O GLN A 36 -3.829 1.378 9.383 1.00 0.00 O ATOM 478 CB GLN A 36 -4.891 3.845 7.499 1.00 0.00 C ATOM 479 CG GLN A 36 -5.202 5.239 8.016 1.00 0.00 C ATOM 480 CD GLN A 36 -5.401 5.274 9.519 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.484 4.972 10.020 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.354 5.643 10.246 1.00 0.00 N ATOM 0 H GLN A 36 -2.686 3.189 6.065 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.268 3.799 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.903 3.860 6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.680 3.164 7.817 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.389 5.912 7.745 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.101 5.612 7.526 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.475 5.885 9.788 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -4.428 5.685 11.262 1.00 0.00 H new ATOM 491 N TYR A 37 -3.533 1.010 7.183 1.00 0.00 N ATOM 492 CA TYR A 37 -3.615 -0.441 7.304 1.00 0.00 C ATOM 493 C TYR A 37 -2.318 -1.100 6.843 1.00 0.00 C ATOM 494 O TYR A 37 -1.687 -0.649 5.889 1.00 0.00 O ATOM 495 CB TYR A 37 -4.792 -0.975 6.486 1.00 0.00 C ATOM 496 CG TYR A 37 -5.546 -2.095 7.168 1.00 0.00 C ATOM 497 CD1 TYR A 37 -6.198 -1.884 8.376 1.00 0.00 C ATOM 498 CD2 TYR A 37 -5.605 -3.363 6.603 1.00 0.00 C ATOM 499 CE1 TYR A 37 -6.888 -2.904 9.003 1.00 0.00 C ATOM 500 CE2 TYR A 37 -6.293 -4.389 7.224 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.932 -4.154 8.423 1.00 0.00 C ATOM 502 OH TYR A 37 -7.618 -5.173 9.044 1.00 0.00 O ATOM 0 H TYR A 37 -3.384 1.347 6.232 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.771 -0.685 8.355 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.482 -0.156 6.281 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.423 -1.330 5.524 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.165 -0.906 8.833 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.106 -3.550 5.664 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.390 -2.723 9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.330 -5.369 6.772 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.552 -5.988 8.504 1.00 0.00 H new ATOM 512 N LEU A 38 -1.930 -2.172 7.528 1.00 0.00 N ATOM 513 CA LEU A 38 -0.709 -2.893 7.189 1.00 0.00 C ATOM 514 C LEU A 38 -0.874 -4.388 7.440 1.00 0.00 C ATOM 515 O LEU A 38 -1.237 -4.807 8.539 1.00 0.00 O ATOM 516 CB LEU A 38 0.470 -2.354 8.001 1.00 0.00 C ATOM 517 CG LEU A 38 0.980 -0.979 7.568 1.00 0.00 C ATOM 518 CD1 LEU A 38 1.514 -0.207 8.765 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.054 -1.122 6.500 1.00 0.00 C ATOM 0 H LEU A 38 -2.443 -2.559 8.320 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.509 -2.740 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.176 -2.302 9.049 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.292 -3.067 7.936 1.00 0.00 H new ATOM 0 HG LEU A 38 0.146 -0.419 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.873 0.769 8.438 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.717 -0.074 9.497 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.335 -0.762 9.219 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.406 -0.134 6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.888 -1.700 6.898 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.639 -1.635 5.633 1.00 0.00 H new ATOM 531 N GLY A 39 -0.605 -5.188 6.414 1.00 0.00 N ATOM 532 CA GLY A 39 -0.730 -6.629 6.545 1.00 0.00 C ATOM 533 C GLY A 39 -1.267 -7.281 5.286 1.00 0.00 C ATOM 534 O GLY A 39 -0.926 -6.877 4.175 1.00 0.00 O ATOM 0 H GLY A 39 -0.303 -4.865 5.495 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.244 -7.055 6.784 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.392 -6.859 7.380 1.00 0.00 H new ATOM 538 N GLU A 40 -2.110 -8.294 5.461 1.00 0.00 N ATOM 539 CA GLU A 40 -2.695 -9.005 4.331 1.00 0.00 C ATOM 540 C GLU A 40 -4.092 -8.476 4.019 1.00 0.00 C ATOM 541 O GLU A 40 -4.951 -8.408 4.899 1.00 0.00 O ATOM 542 CB GLU A 40 -2.759 -10.505 4.623 1.00 0.00 C ATOM 543 CG GLU A 40 -1.410 -11.116 4.966 1.00 0.00 C ATOM 544 CD GLU A 40 -1.262 -11.412 6.445 1.00 0.00 C ATOM 545 OE1 GLU A 40 -1.915 -10.723 7.256 1.00 0.00 O ATOM 546 OE2 GLU A 40 -0.492 -12.332 6.793 1.00 0.00 O ATOM 0 H GLU A 40 -2.403 -8.640 6.375 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.060 -8.838 3.461 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.447 -10.677 5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.171 -11.019 3.754 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.279 -12.038 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.618 -10.435 4.655 1.00 0.00 H new ATOM 553 N THR A 41 -4.311 -8.104 2.763 1.00 0.00 N ATOM 554 CA THR A 41 -5.604 -7.581 2.335 1.00 0.00 C ATOM 555 C THR A 41 -6.593 -8.715 2.088 1.00 0.00 C ATOM 556 O THR A 41 -6.274 -9.886 2.288 1.00 0.00 O ATOM 557 CB THR A 41 -5.443 -6.742 1.066 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.502 -7.334 0.190 1.00 0.00 O ATOM 559 CG2 THR A 41 -4.989 -5.325 1.340 1.00 0.00 C ATOM 0 H THR A 41 -3.611 -8.155 2.023 1.00 0.00 H new ATOM 0 HA THR A 41 -5.995 -6.949 3.132 1.00 0.00 H new ATOM 0 HB THR A 41 -6.434 -6.707 0.614 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.792 -6.689 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.895 -4.785 0.398 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.721 -4.825 1.974 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.024 -5.344 1.846 1.00 0.00 H new ATOM 567 N GLN A 42 -7.797 -8.358 1.650 1.00 0.00 N ATOM 568 CA GLN A 42 -8.834 -9.345 1.376 1.00 0.00 C ATOM 569 C GLN A 42 -9.113 -9.443 -0.121 1.00 0.00 C ATOM 570 O GLN A 42 -9.460 -10.509 -0.630 1.00 0.00 O ATOM 571 CB GLN A 42 -10.120 -8.986 2.123 1.00 0.00 C ATOM 572 CG GLN A 42 -10.016 -9.156 3.630 1.00 0.00 C ATOM 573 CD GLN A 42 -11.246 -9.809 4.229 1.00 0.00 C ATOM 574 OE1 GLN A 42 -11.707 -10.845 3.755 1.00 0.00 O ATOM 575 NE2 GLN A 42 -11.785 -9.201 5.280 1.00 0.00 N ATOM 0 H GLN A 42 -8.077 -7.393 1.478 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.477 -10.314 1.725 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.383 -7.952 1.900 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.933 -9.610 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.139 -9.759 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.865 -8.181 4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.369 -8.342 5.641 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -12.614 -9.593 5.726 1.00 0.00 H new ATOM 584 N PHE A 43 -8.961 -8.323 -0.821 1.00 0.00 N ATOM 585 CA PHE A 43 -9.198 -8.284 -2.260 1.00 0.00 C ATOM 586 C PHE A 43 -8.150 -9.104 -3.007 1.00 0.00 C ATOM 587 O PHE A 43 -8.431 -9.675 -4.061 1.00 0.00 O ATOM 588 CB PHE A 43 -9.189 -6.837 -2.761 1.00 0.00 C ATOM 589 CG PHE A 43 -7.847 -6.169 -2.652 1.00 0.00 C ATOM 590 CD1 PHE A 43 -6.898 -6.327 -3.648 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.536 -5.384 -1.553 1.00 0.00 C ATOM 592 CE1 PHE A 43 -5.663 -5.714 -3.552 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.303 -4.768 -1.451 1.00 0.00 C ATOM 594 CZ PHE A 43 -5.365 -4.933 -2.452 1.00 0.00 C ATOM 0 H PHE A 43 -8.675 -7.432 -0.416 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.178 -8.720 -2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.510 -6.820 -3.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -9.919 -6.261 -2.193 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.126 -6.936 -4.510 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.265 -5.252 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.932 -5.845 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -6.073 -4.158 -0.590 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.401 -4.452 -2.375 1.00 0.00 H new ATOM 604 N ALA A 44 -6.943 -9.156 -2.456 1.00 0.00 N ATOM 605 CA ALA A 44 -5.853 -9.906 -3.070 1.00 0.00 C ATOM 606 C ALA A 44 -4.912 -10.473 -2.012 1.00 0.00 C ATOM 607 O ALA A 44 -4.729 -9.880 -0.949 1.00 0.00 O ATOM 608 CB ALA A 44 -5.088 -9.020 -4.041 1.00 0.00 C ATOM 0 H ALA A 44 -6.694 -8.688 -1.585 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.283 -10.743 -3.620 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.277 -9.591 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.763 -8.668 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.675 -8.165 -3.506 1.00 0.00 H new ATOM 614 N PRO A 45 -4.298 -11.638 -2.291 1.00 0.00 N ATOM 615 CA PRO A 45 -3.372 -12.285 -1.357 1.00 0.00 C ATOM 616 C PRO A 45 -2.044 -11.540 -1.249 1.00 0.00 C ATOM 617 O PRO A 45 -1.914 -10.412 -1.723 1.00 0.00 O ATOM 618 CB PRO A 45 -3.160 -13.669 -1.972 1.00 0.00 C ATOM 619 CG PRO A 45 -3.401 -13.476 -3.428 1.00 0.00 C ATOM 620 CD PRO A 45 -4.460 -12.413 -3.536 1.00 0.00 C ATOM 0 HA PRO A 45 -3.767 -12.311 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.151 -14.036 -1.783 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.850 -14.400 -1.550 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.487 -13.170 -3.937 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.731 -14.404 -3.895 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.315 -11.790 -4.418 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.457 -12.846 -3.612 1.00 0.00 H new ATOM 628 N GLY A 46 -1.063 -12.181 -0.622 1.00 0.00 N ATOM 629 CA GLY A 46 0.242 -11.565 -0.463 1.00 0.00 C ATOM 630 C GLY A 46 0.226 -10.420 0.531 1.00 0.00 C ATOM 631 O GLY A 46 -0.835 -10.016 1.005 1.00 0.00 O ATOM 0 H GLY A 46 -1.148 -13.115 -0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.958 -12.318 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.587 -11.198 -1.430 1.00 0.00 H new ATOM 635 N GLN A 47 1.407 -9.899 0.847 1.00 0.00 N ATOM 636 CA GLN A 47 1.526 -8.794 1.792 1.00 0.00 C ATOM 637 C GLN A 47 1.083 -7.482 1.153 1.00 0.00 C ATOM 638 O GLN A 47 1.456 -7.173 0.021 1.00 0.00 O ATOM 639 CB GLN A 47 2.968 -8.672 2.287 1.00 0.00 C ATOM 640 CG GLN A 47 3.492 -9.937 2.949 1.00 0.00 C ATOM 641 CD GLN A 47 2.845 -10.202 4.295 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.626 -10.117 4.437 1.00 0.00 O ATOM 643 NE2 GLN A 47 3.661 -10.525 5.291 1.00 0.00 N ATOM 0 H GLN A 47 2.295 -10.224 0.463 1.00 0.00 H new ATOM 0 HA GLN A 47 0.874 -9.002 2.640 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.612 -8.418 1.445 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.031 -7.847 2.997 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.314 -10.787 2.291 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.571 -9.855 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.666 -10.584 5.128 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.283 -10.714 6.219 1.00 0.00 H new ATOM 652 N TRP A 48 0.285 -6.713 1.887 1.00 0.00 N ATOM 653 CA TRP A 48 -0.210 -5.434 1.392 1.00 0.00 C ATOM 654 C TRP A 48 -0.072 -4.350 2.455 1.00 0.00 C ATOM 655 O TRP A 48 0.049 -4.644 3.644 1.00 0.00 O ATOM 656 CB TRP A 48 -1.673 -5.562 0.964 1.00 0.00 C ATOM 657 CG TRP A 48 -1.843 -6.156 -0.400 1.00 0.00 C ATOM 658 CD1 TRP A 48 -1.917 -7.482 -0.709 1.00 0.00 C ATOM 659 CD2 TRP A 48 -1.962 -5.446 -1.638 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.074 -7.642 -2.064 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.104 -6.407 -2.656 1.00 0.00 C ATOM 662 CE3 TRP A 48 -1.962 -4.092 -1.984 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.246 -6.057 -3.997 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.103 -3.746 -3.316 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.243 -4.724 -4.307 1.00 0.00 C ATOM 0 H TRP A 48 -0.032 -6.953 2.826 1.00 0.00 H new ATOM 0 HA TRP A 48 0.391 -5.149 0.528 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.204 -6.179 1.690 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.137 -4.576 0.983 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.860 -8.289 0.007 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.155 -8.535 -2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.854 -3.330 -1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.354 -6.810 -4.764 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.105 -2.703 -3.596 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.351 -4.421 -5.338 1.00 0.00 H new ATOM 676 N ALA A 49 -0.091 -3.094 2.019 1.00 0.00 N ATOM 677 CA ALA A 49 0.032 -1.966 2.934 1.00 0.00 C ATOM 678 C ALA A 49 -0.891 -0.824 2.525 1.00 0.00 C ATOM 679 O ALA A 49 -0.640 -0.132 1.538 1.00 0.00 O ATOM 680 CB ALA A 49 1.474 -1.487 2.990 1.00 0.00 C ATOM 0 H ALA A 49 -0.190 -2.833 1.038 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.267 -2.302 3.927 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.551 -0.644 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.114 -2.298 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.792 -1.175 1.995 1.00 0.00 H new ATOM 686 N GLY A 50 -1.962 -0.631 3.289 1.00 0.00 N ATOM 687 CA GLY A 50 -2.906 0.428 2.990 1.00 0.00 C ATOM 688 C GLY A 50 -2.326 1.809 3.226 1.00 0.00 C ATOM 689 O GLY A 50 -1.719 2.065 4.266 1.00 0.00 O ATOM 0 H GLY A 50 -2.192 -1.190 4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.224 0.344 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.796 0.301 3.607 1.00 0.00 H new ATOM 693 N VAL A 51 -2.510 2.700 2.256 1.00 0.00 N ATOM 694 CA VAL A 51 -2.000 4.062 2.363 1.00 0.00 C ATOM 695 C VAL A 51 -3.045 5.075 1.911 1.00 0.00 C ATOM 696 O VAL A 51 -3.756 4.853 0.931 1.00 0.00 O ATOM 697 CB VAL A 51 -0.721 4.250 1.525 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.088 5.603 1.813 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.265 3.123 1.794 1.00 0.00 C ATOM 0 H VAL A 51 -3.008 2.503 1.388 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.764 4.231 3.414 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.992 4.219 0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.814 5.718 1.212 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.794 6.395 1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.170 5.666 2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.162 3.273 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.533 3.118 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.192 2.169 1.531 1.00 0.00 H new ATOM 709 N VAL A 52 -3.133 6.189 2.631 1.00 0.00 N ATOM 710 CA VAL A 52 -4.092 7.237 2.303 1.00 0.00 C ATOM 711 C VAL A 52 -3.393 8.455 1.710 1.00 0.00 C ATOM 712 O VAL A 52 -2.466 9.004 2.306 1.00 0.00 O ATOM 713 CB VAL A 52 -4.895 7.673 3.543 1.00 0.00 C ATOM 714 CG1 VAL A 52 -6.019 8.617 3.147 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.441 6.458 4.279 1.00 0.00 C ATOM 0 H VAL A 52 -2.552 6.389 3.445 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.777 6.819 1.565 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.226 8.207 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.575 8.914 4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.599 9.502 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.690 8.113 2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.006 6.785 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.095 5.894 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.614 5.824 4.598 1.00 0.00 H new ATOM 725 N LEU A 53 -3.842 8.873 0.532 1.00 0.00 N ATOM 726 CA LEU A 53 -3.260 10.028 -0.144 1.00 0.00 C ATOM 727 C LEU A 53 -3.818 11.328 0.424 1.00 0.00 C ATOM 728 O LEU A 53 -4.937 11.364 0.937 1.00 0.00 O ATOM 729 CB LEU A 53 -3.531 9.955 -1.648 1.00 0.00 C ATOM 730 CG LEU A 53 -2.535 9.111 -2.445 1.00 0.00 C ATOM 731 CD1 LEU A 53 -3.007 8.947 -3.882 1.00 0.00 C ATOM 732 CD2 LEU A 53 -1.152 9.742 -2.404 1.00 0.00 C ATOM 0 H LEU A 53 -4.608 8.429 0.025 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.183 10.012 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.532 9.551 -1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.530 10.968 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.475 8.123 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.287 8.344 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.978 8.452 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.095 9.927 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.455 9.129 -2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.195 10.742 -2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.813 9.808 -1.370 1.00 0.00 H new ATOM 744 N ASP A 54 -3.032 12.395 0.328 1.00 0.00 N ATOM 745 CA ASP A 54 -3.448 13.700 0.831 1.00 0.00 C ATOM 746 C ASP A 54 -4.596 14.263 -0.001 1.00 0.00 C ATOM 747 O ASP A 54 -5.451 14.984 0.512 1.00 0.00 O ATOM 748 CB ASP A 54 -2.268 14.673 0.820 1.00 0.00 C ATOM 749 CG ASP A 54 -2.278 15.607 2.014 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.106 15.117 3.151 1.00 0.00 O ATOM 751 OD2 ASP A 54 -2.456 16.827 1.813 1.00 0.00 O ATOM 0 H ASP A 54 -2.103 12.382 -0.093 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.795 13.573 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.335 14.109 0.811 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.294 15.261 -0.098 1.00 0.00 H new ATOM 756 N ASP A 55 -4.608 13.927 -1.287 1.00 0.00 N ATOM 757 CA ASP A 55 -5.650 14.399 -2.190 1.00 0.00 C ATOM 758 C ASP A 55 -6.300 13.231 -2.929 1.00 0.00 C ATOM 759 O ASP A 55 -5.769 12.121 -2.940 1.00 0.00 O ATOM 760 CB ASP A 55 -5.068 15.396 -3.196 1.00 0.00 C ATOM 761 CG ASP A 55 -5.282 16.836 -2.772 1.00 0.00 C ATOM 762 OD1 ASP A 55 -5.146 17.126 -1.564 1.00 0.00 O ATOM 763 OD2 ASP A 55 -5.585 17.674 -3.647 1.00 0.00 O ATOM 0 H ASP A 55 -3.908 13.330 -1.727 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.414 14.899 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.000 15.209 -3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.528 15.235 -4.171 1.00 0.00 H new ATOM 768 N PRO A 56 -7.463 13.468 -3.560 1.00 0.00 N ATOM 769 CA PRO A 56 -8.185 12.429 -4.302 1.00 0.00 C ATOM 770 C PRO A 56 -7.434 11.987 -5.554 1.00 0.00 C ATOM 771 O PRO A 56 -7.708 12.461 -6.656 1.00 0.00 O ATOM 772 CB PRO A 56 -9.503 13.109 -4.683 1.00 0.00 C ATOM 773 CG PRO A 56 -9.198 14.566 -4.673 1.00 0.00 C ATOM 774 CD PRO A 56 -8.166 14.765 -3.598 1.00 0.00 C ATOM 0 HA PRO A 56 -8.315 11.523 -3.710 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.846 12.784 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.293 12.866 -3.973 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.820 14.892 -5.642 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.094 15.151 -4.467 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.488 15.584 -3.838 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.625 15.002 -2.638 1.00 0.00 H new ATOM 782 N VAL A 57 -6.484 11.073 -5.375 1.00 0.00 N ATOM 783 CA VAL A 57 -5.693 10.565 -6.488 1.00 0.00 C ATOM 784 C VAL A 57 -5.188 9.154 -6.206 1.00 0.00 C ATOM 785 O VAL A 57 -4.118 8.762 -6.671 1.00 0.00 O ATOM 786 CB VAL A 57 -4.489 11.479 -6.786 1.00 0.00 C ATOM 787 CG1 VAL A 57 -4.942 12.749 -7.488 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.738 11.806 -5.505 1.00 0.00 C ATOM 0 H VAL A 57 -6.245 10.670 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.349 10.546 -7.358 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.809 10.948 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.077 13.381 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.430 12.491 -8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.644 13.287 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.891 12.452 -5.735 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.406 12.316 -4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.378 10.884 -5.049 1.00 0.00 H new ATOM 798 N GLY A 58 -5.967 8.396 -5.442 1.00 0.00 N ATOM 799 CA GLY A 58 -5.582 7.036 -5.109 1.00 0.00 C ATOM 800 C GLY A 58 -6.220 6.012 -6.027 1.00 0.00 C ATOM 801 O GLY A 58 -6.088 6.094 -7.247 1.00 0.00 O ATOM 0 H GLY A 58 -6.858 8.698 -5.047 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.497 6.944 -5.166 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.866 6.823 -4.079 1.00 0.00 H new ATOM 805 N LYS A 59 -6.915 5.044 -5.437 1.00 0.00 N ATOM 806 CA LYS A 59 -7.576 3.999 -6.209 1.00 0.00 C ATOM 807 C LYS A 59 -8.910 3.615 -5.575 1.00 0.00 C ATOM 808 O LYS A 59 -9.954 3.664 -6.225 1.00 0.00 O ATOM 809 CB LYS A 59 -6.675 2.767 -6.316 1.00 0.00 C ATOM 810 CG LYS A 59 -5.817 2.749 -7.572 1.00 0.00 C ATOM 811 CD LYS A 59 -6.023 1.472 -8.373 1.00 0.00 C ATOM 812 CE LYS A 59 -6.062 1.751 -9.867 1.00 0.00 C ATOM 813 NZ LYS A 59 -4.706 2.024 -10.417 1.00 0.00 N ATOM 0 H LYS A 59 -7.035 4.962 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.768 4.388 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.026 2.725 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.295 1.871 -6.296 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.061 3.612 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.766 2.841 -7.297 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.218 0.770 -8.154 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.954 0.995 -8.066 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.498 0.897 -10.384 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.711 2.606 -10.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.776 2.209 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.299 2.855 -9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.094 1.199 -10.256 1.00 0.00 H new ATOM 827 N ASN A 60 -8.866 3.235 -4.302 1.00 0.00 N ATOM 828 CA ASN A 60 -10.071 2.843 -3.581 1.00 0.00 C ATOM 829 C ASN A 60 -10.479 3.918 -2.578 1.00 0.00 C ATOM 830 O ASN A 60 -9.839 4.964 -2.480 1.00 0.00 O ATOM 831 CB ASN A 60 -9.849 1.513 -2.858 1.00 0.00 C ATOM 832 CG ASN A 60 -9.558 0.376 -3.817 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.354 0.083 -4.710 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.414 -0.273 -3.636 1.00 0.00 N ATOM 0 H ASN A 60 -8.010 3.190 -3.749 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.875 2.724 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.019 1.617 -2.159 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.734 1.271 -2.269 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.165 -1.048 -4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.784 0.004 -2.883 1.00 0.00 H new ATOM 841 N ASP A 61 -11.549 3.651 -1.836 1.00 0.00 N ATOM 842 CA ASP A 61 -12.043 4.595 -0.839 1.00 0.00 C ATOM 843 C ASP A 61 -12.126 3.941 0.536 1.00 0.00 C ATOM 844 O ASP A 61 -12.989 4.280 1.345 1.00 0.00 O ATOM 845 CB ASP A 61 -13.419 5.126 -1.247 1.00 0.00 C ATOM 846 CG ASP A 61 -14.430 4.015 -1.448 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.885 3.436 -0.439 1.00 0.00 O ATOM 848 OD2 ASP A 61 -14.769 3.724 -2.615 1.00 0.00 O ATOM 0 H ASP A 61 -12.090 2.789 -1.906 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.341 5.427 -0.784 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.783 5.811 -0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.325 5.700 -2.169 1.00 0.00 H new ATOM 853 N GLY A 62 -11.221 3.001 0.794 1.00 0.00 N ATOM 854 CA GLY A 62 -11.210 2.314 2.072 1.00 0.00 C ATOM 855 C GLY A 62 -11.935 0.984 2.022 1.00 0.00 C ATOM 856 O GLY A 62 -11.584 0.051 2.745 1.00 0.00 O ATOM 0 H GLY A 62 -10.496 2.704 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.179 2.150 2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.674 2.949 2.826 1.00 0.00 H new ATOM 860 N ALA A 63 -12.949 0.897 1.168 1.00 0.00 N ATOM 861 CA ALA A 63 -13.726 -0.329 1.027 1.00 0.00 C ATOM 862 C ALA A 63 -13.501 -0.966 -0.340 1.00 0.00 C ATOM 863 O ALA A 63 -13.738 -0.341 -1.374 1.00 0.00 O ATOM 864 CB ALA A 63 -15.206 -0.043 1.241 1.00 0.00 C ATOM 0 H ALA A 63 -13.252 1.660 0.563 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.389 -1.034 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.774 -0.967 1.133 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -15.357 0.361 2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.547 0.682 0.502 1.00 0.00 H new ATOM 870 N VAL A 64 -13.044 -2.214 -0.337 1.00 0.00 N ATOM 871 CA VAL A 64 -12.787 -2.937 -1.576 1.00 0.00 C ATOM 872 C VAL A 64 -13.490 -4.290 -1.579 1.00 0.00 C ATOM 873 O VAL A 64 -13.038 -5.236 -0.935 1.00 0.00 O ATOM 874 CB VAL A 64 -11.279 -3.155 -1.797 1.00 0.00 C ATOM 875 CG1 VAL A 64 -11.019 -3.728 -3.183 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.516 -1.854 -1.600 1.00 0.00 C ATOM 0 H VAL A 64 -12.844 -2.745 0.510 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.181 -2.324 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.923 -3.874 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.948 -3.875 -3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.533 -4.684 -3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.390 -3.036 -3.939 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.452 -2.028 -1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.874 -1.111 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.675 -1.489 -0.585 1.00 0.00 H new ATOM 886 N GLY A 65 -14.599 -4.374 -2.307 1.00 0.00 N ATOM 887 CA GLY A 65 -15.346 -5.615 -2.379 1.00 0.00 C ATOM 888 C GLY A 65 -16.164 -5.874 -1.130 1.00 0.00 C ATOM 889 O GLY A 65 -16.427 -7.024 -0.778 1.00 0.00 O ATOM 0 H GLY A 65 -14.993 -3.604 -2.848 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -16.009 -5.587 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.654 -6.443 -2.534 1.00 0.00 H new ATOM 893 N GLY A 66 -16.568 -4.801 -0.457 1.00 0.00 N ATOM 894 CA GLY A 66 -17.358 -4.938 0.753 1.00 0.00 C ATOM 895 C GLY A 66 -16.512 -4.863 2.009 1.00 0.00 C ATOM 896 O GLY A 66 -16.991 -4.445 3.063 1.00 0.00 O ATOM 0 H GLY A 66 -16.362 -3.839 -0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -18.114 -4.153 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.888 -5.890 0.732 1.00 0.00 H new ATOM 900 N VAL A 67 -15.252 -5.269 1.896 1.00 0.00 N ATOM 901 CA VAL A 67 -14.338 -5.245 3.032 1.00 0.00 C ATOM 902 C VAL A 67 -13.825 -3.835 3.295 1.00 0.00 C ATOM 903 O VAL A 67 -13.227 -3.207 2.422 1.00 0.00 O ATOM 904 CB VAL A 67 -13.136 -6.182 2.804 1.00 0.00 C ATOM 905 CG1 VAL A 67 -12.302 -6.299 4.071 1.00 0.00 C ATOM 906 CG2 VAL A 67 -13.606 -7.551 2.338 1.00 0.00 C ATOM 0 H VAL A 67 -14.841 -5.618 1.030 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.901 -5.591 3.899 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.509 -5.754 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.458 -6.965 3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -11.933 -5.314 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -12.917 -6.703 4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -12.743 -8.198 2.182 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.257 -7.989 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.156 -7.448 1.402 1.00 0.00 H new ATOM 916 N ARG A 68 -14.061 -3.341 4.506 1.00 0.00 N ATOM 917 CA ARG A 68 -13.623 -2.003 4.886 1.00 0.00 C ATOM 918 C ARG A 68 -12.411 -2.069 5.810 1.00 0.00 C ATOM 919 O ARG A 68 -12.516 -2.500 6.958 1.00 0.00 O ATOM 920 CB ARG A 68 -14.764 -1.245 5.569 1.00 0.00 C ATOM 921 CG ARG A 68 -14.986 0.151 5.011 1.00 0.00 C ATOM 922 CD ARG A 68 -15.452 1.115 6.090 1.00 0.00 C ATOM 923 NE ARG A 68 -16.370 2.123 5.565 1.00 0.00 N ATOM 924 CZ ARG A 68 -15.988 3.156 4.817 1.00 0.00 C ATOM 925 NH1 ARG A 68 -14.709 3.322 4.505 1.00 0.00 N ATOM 926 NH2 ARG A 68 -16.888 4.027 4.380 1.00 0.00 N ATOM 0 H ARG A 68 -14.554 -3.848 5.242 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.335 -1.470 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.684 -1.820 5.465 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.553 -1.172 6.636 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -14.060 0.519 4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -15.727 0.111 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -15.944 0.557 6.887 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.587 1.608 6.533 1.00 0.00 H new ATOM 0 HE ARG A 68 -17.362 2.030 5.784 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -14.012 2.656 4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -14.423 4.115 3.932 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -17.873 3.905 4.617 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -16.595 4.818 3.807 1.00 0.00 H new ATOM 940 N TYR A 69 -11.261 -1.641 5.299 1.00 0.00 N ATOM 941 CA TYR A 69 -10.029 -1.652 6.079 1.00 0.00 C ATOM 942 C TYR A 69 -9.927 -0.409 6.956 1.00 0.00 C ATOM 943 O TYR A 69 -9.974 -0.498 8.183 1.00 0.00 O ATOM 944 CB TYR A 69 -8.814 -1.737 5.152 1.00 0.00 C ATOM 945 CG TYR A 69 -8.935 -2.809 4.093 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.604 -2.564 2.901 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.378 -4.068 4.286 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.716 -3.542 1.930 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.486 -5.050 3.320 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.155 -4.784 2.145 1.00 0.00 C ATOM 951 OH TYR A 69 -9.264 -5.760 1.182 1.00 0.00 O ATOM 0 H TYR A 69 -11.157 -1.283 4.350 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.047 -2.529 6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.670 -0.772 4.666 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.923 -1.928 5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.044 -1.593 2.729 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.853 -4.282 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.240 -3.335 1.008 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.047 -6.023 3.485 1.00 0.00 H new ATOM 0 HH TYR A 69 -9.954 -5.505 0.534 1.00 0.00 H new ATOM 961 N PHE A 70 -9.786 0.750 6.320 1.00 0.00 N ATOM 962 CA PHE A 70 -9.677 2.011 7.042 1.00 0.00 C ATOM 963 C PHE A 70 -10.732 3.003 6.566 1.00 0.00 C ATOM 964 O PHE A 70 -11.306 2.847 5.488 1.00 0.00 O ATOM 965 CB PHE A 70 -8.281 2.608 6.861 1.00 0.00 C ATOM 966 CG PHE A 70 -7.851 2.707 5.425 1.00 0.00 C ATOM 967 CD1 PHE A 70 -7.199 1.652 4.809 1.00 0.00 C ATOM 968 CD2 PHE A 70 -8.102 3.857 4.692 1.00 0.00 C ATOM 969 CE1 PHE A 70 -6.804 1.740 3.487 1.00 0.00 C ATOM 970 CE2 PHE A 70 -7.709 3.951 3.370 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.059 2.891 2.767 1.00 0.00 C ATOM 0 H PHE A 70 -9.745 0.841 5.305 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.844 1.810 8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.259 3.602 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.561 1.998 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -6.997 0.750 5.368 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.610 4.688 5.159 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -6.297 0.910 3.018 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -7.910 4.852 2.809 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.751 2.962 1.734 1.00 0.00 H new ATOM 981 N GLU A 71 -10.985 4.026 7.379 1.00 0.00 N ATOM 982 CA GLU A 71 -11.972 5.045 7.041 1.00 0.00 C ATOM 983 C GLU A 71 -11.291 6.326 6.567 1.00 0.00 C ATOM 984 O GLU A 71 -10.534 6.949 7.311 1.00 0.00 O ATOM 985 CB GLU A 71 -12.860 5.343 8.249 1.00 0.00 C ATOM 986 CG GLU A 71 -14.275 5.756 7.877 1.00 0.00 C ATOM 987 CD GLU A 71 -15.051 6.308 9.057 1.00 0.00 C ATOM 988 OE1 GLU A 71 -14.629 7.345 9.611 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.079 5.704 9.426 1.00 0.00 O ATOM 0 H GLU A 71 -10.520 4.170 8.275 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.590 4.662 6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.904 4.458 8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.402 6.137 8.839 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.235 6.509 7.089 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.805 4.896 7.469 1.00 0.00 H new ATOM 996 N CYS A 72 -11.567 6.712 5.326 1.00 0.00 N ATOM 997 CA CYS A 72 -10.981 7.919 4.754 1.00 0.00 C ATOM 998 C CYS A 72 -11.741 8.350 3.502 1.00 0.00 C ATOM 999 O CYS A 72 -12.566 7.602 2.977 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.507 7.683 4.415 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.361 8.219 5.707 1.00 0.00 S ATOM 0 H CYS A 72 -12.192 6.207 4.697 1.00 0.00 H new ATOM 0 HA CYS A 72 -11.053 8.716 5.494 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.354 6.621 4.226 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.268 8.209 3.491 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.816 7.855 6.869 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.473 9.570 3.005 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.136 10.100 1.808 1.00 0.00 C ATOM 1009 C PRO A 73 -12.060 9.137 0.629 1.00 0.00 C ATOM 1010 O PRO A 73 -11.301 8.167 0.655 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.354 11.379 1.504 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.789 11.799 2.817 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.502 10.528 3.569 1.00 0.00 C ATOM 0 HA PRO A 73 -13.201 10.265 1.973 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.565 11.197 0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.002 12.150 1.087 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.881 12.386 2.681 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.494 12.425 3.363 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.475 10.195 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.641 10.656 4.642 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.850 9.409 -0.403 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.873 8.566 -1.593 1.00 0.00 C ATOM 1023 C ALA A 74 -11.719 8.908 -2.529 1.00 0.00 C ATOM 1024 O ALA A 74 -11.212 10.029 -2.522 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.203 8.711 -2.317 1.00 0.00 C ATOM 0 H ALA A 74 -13.484 10.207 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.756 7.530 -1.277 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.206 8.076 -3.203 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -15.013 8.411 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.344 9.750 -2.615 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.310 7.933 -3.335 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.215 8.130 -4.278 1.00 0.00 C ATOM 1033 C LEU A 75 -8.927 8.503 -3.549 1.00 0.00 C ATOM 1034 O LEU A 75 -8.079 9.212 -4.092 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.576 9.219 -5.289 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.870 8.976 -6.067 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -12.414 10.284 -6.621 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -11.636 7.975 -7.190 1.00 0.00 C ATOM 0 H LEU A 75 -11.720 6.999 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 75 -10.052 7.191 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -10.660 10.169 -4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.756 9.320 -6.000 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.610 8.560 -5.384 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -13.335 10.091 -7.171 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.619 10.970 -5.799 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -11.678 10.730 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -12.567 7.814 -7.733 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -10.880 8.364 -7.872 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -11.293 7.030 -6.769 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.789 8.024 -2.318 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.605 8.308 -1.515 1.00 0.00 C ATOM 1052 C GLN A 76 -7.011 7.027 -0.943 1.00 0.00 C ATOM 1053 O GLN A 76 -5.795 6.838 -0.943 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.951 9.275 -0.381 1.00 0.00 C ATOM 1055 CG GLN A 76 -8.150 10.710 -0.844 1.00 0.00 C ATOM 1056 CD GLN A 76 -7.550 11.719 0.113 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -6.938 12.703 -0.305 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.721 11.482 1.409 1.00 0.00 N ATOM 0 H GLN A 76 -9.482 7.437 -1.854 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.862 8.771 -2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.860 8.932 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.155 9.249 0.363 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.700 10.836 -1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.216 10.908 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.235 10.655 1.713 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.339 12.127 2.100 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.880 6.150 -0.455 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.428 4.895 0.115 1.00 0.00 C ATOM 1069 C GLY A 77 -6.817 3.972 -0.921 1.00 0.00 C ATOM 1070 O GLY A 77 -7.442 2.997 -1.339 1.00 0.00 O ATOM 0 H GLY A 77 -8.891 6.286 -0.444 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.693 5.098 0.894 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.269 4.393 0.593 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.593 4.279 -1.336 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.898 3.471 -2.329 1.00 0.00 C ATOM 1076 C ILE A 78 -4.138 2.323 -1.668 1.00 0.00 C ATOM 1077 O ILE A 78 -3.507 2.503 -0.627 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.912 4.320 -3.158 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.279 3.476 -4.266 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.839 4.921 -2.261 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -2.871 4.282 -5.481 1.00 0.00 C ATOM 0 H ILE A 78 -5.062 5.082 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.659 3.064 -2.995 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.465 5.136 -3.622 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.402 2.966 -3.867 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.985 2.704 -4.572 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.153 5.516 -2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.307 5.557 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.288 4.121 -1.767 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.430 3.620 -6.226 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.748 4.771 -5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.141 5.037 -5.189 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.205 1.145 -2.279 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.526 -0.031 -1.749 1.00 0.00 C ATOM 1095 C PHE A 79 -2.336 -0.413 -2.623 1.00 0.00 C ATOM 1096 O PHE A 79 -2.411 -0.355 -3.850 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.499 -1.206 -1.648 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.203 -1.290 -0.324 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -4.495 -1.550 0.838 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -6.575 -1.108 -0.243 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -5.141 -1.627 2.057 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -7.227 -1.185 0.974 1.00 0.00 C ATOM 1103 CZ PHE A 79 -6.509 -1.445 2.125 1.00 0.00 C ATOM 0 H PHE A 79 -4.723 0.980 -3.142 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.157 0.212 -0.752 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.242 -1.121 -2.441 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -3.954 -2.134 -1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -3.426 -1.694 0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.141 -0.904 -1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.577 -1.829 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.296 -1.042 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 79 -7.016 -1.506 3.077 1.00 0.00 H new ATOM 1113 N THR A 80 -1.241 -0.806 -1.982 1.00 0.00 N ATOM 1114 CA THR A 80 -0.034 -1.200 -2.700 1.00 0.00 C ATOM 1115 C THR A 80 0.871 -2.051 -1.815 1.00 0.00 C ATOM 1116 O THR A 80 0.665 -2.141 -0.605 1.00 0.00 O ATOM 1117 CB THR A 80 0.724 0.037 -3.184 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.882 -0.336 -3.909 1.00 0.00 O ATOM 1119 CG2 THR A 80 1.162 0.949 -2.059 1.00 0.00 C ATOM 0 H THR A 80 -1.164 -0.860 -0.966 1.00 0.00 H new ATOM 0 HA THR A 80 -0.333 -1.795 -3.563 1.00 0.00 H new ATOM 0 HB THR A 80 0.019 0.578 -3.816 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.352 0.469 -4.211 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.694 1.806 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 80 0.287 1.295 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.822 0.403 -1.384 1.00 0.00 H new ATOM 1127 N ARG A 81 1.873 -2.675 -2.426 1.00 0.00 N ATOM 1128 CA ARG A 81 2.808 -3.519 -1.691 1.00 0.00 C ATOM 1129 C ARG A 81 3.697 -2.677 -0.776 1.00 0.00 C ATOM 1130 O ARG A 81 4.090 -1.566 -1.132 1.00 0.00 O ATOM 1131 CB ARG A 81 3.672 -4.323 -2.664 1.00 0.00 C ATOM 1132 CG ARG A 81 2.875 -5.273 -3.544 1.00 0.00 C ATOM 1133 CD ARG A 81 3.453 -5.349 -4.947 1.00 0.00 C ATOM 1134 NE ARG A 81 2.421 -5.591 -5.953 1.00 0.00 N ATOM 1135 CZ ARG A 81 1.595 -4.652 -6.407 1.00 0.00 C ATOM 1136 NH1 ARG A 81 1.677 -3.408 -5.951 1.00 0.00 N ATOM 1137 NH2 ARG A 81 0.684 -4.957 -7.322 1.00 0.00 N ATOM 0 H ARG A 81 2.058 -2.612 -3.427 1.00 0.00 H new ATOM 0 HA ARG A 81 2.232 -4.208 -1.073 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.228 -3.633 -3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.406 -4.896 -2.097 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.870 -6.267 -3.097 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.838 -4.941 -3.594 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.971 -4.418 -5.176 1.00 0.00 H new ATOM 0 HD3 ARG A 81 4.195 -6.146 -4.990 1.00 0.00 H new ATOM 0 HE ARG A 81 2.329 -6.535 -6.329 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.376 -3.167 -5.248 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.041 -2.693 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.617 -5.911 -7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.050 -4.238 -7.670 1.00 0.00 H new ATOM 1151 N PRO A 82 4.029 -3.199 0.419 1.00 0.00 N ATOM 1152 CA PRO A 82 4.876 -2.485 1.381 1.00 0.00 C ATOM 1153 C PRO A 82 6.191 -2.024 0.763 1.00 0.00 C ATOM 1154 O PRO A 82 6.631 -0.896 0.986 1.00 0.00 O ATOM 1155 CB PRO A 82 5.135 -3.529 2.472 1.00 0.00 C ATOM 1156 CG PRO A 82 3.984 -4.468 2.379 1.00 0.00 C ATOM 1157 CD PRO A 82 3.606 -4.517 0.926 1.00 0.00 C ATOM 0 HA PRO A 82 4.399 -1.576 1.747 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.081 -4.045 2.309 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.190 -3.066 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.257 -5.458 2.745 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.149 -4.123 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.113 -5.329 0.406 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.535 -4.674 0.794 1.00 0.00 H new ATOM 1165 N SER A 83 6.813 -2.903 -0.015 1.00 0.00 N ATOM 1166 CA SER A 83 8.079 -2.587 -0.666 1.00 0.00 C ATOM 1167 C SER A 83 7.930 -1.382 -1.590 1.00 0.00 C ATOM 1168 O SER A 83 8.856 -0.585 -1.742 1.00 0.00 O ATOM 1169 CB SER A 83 8.585 -3.793 -1.460 1.00 0.00 C ATOM 1170 OG SER A 83 7.576 -4.299 -2.316 1.00 0.00 O ATOM 0 H SER A 83 6.461 -3.840 -0.210 1.00 0.00 H new ATOM 0 HA SER A 83 8.805 -2.341 0.109 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.456 -3.505 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 83 8.909 -4.575 -0.773 1.00 0.00 H new ATOM 0 HG SER A 83 7.925 -5.068 -2.814 1.00 0.00 H new ATOM 1176 N LYS A 84 6.759 -1.256 -2.206 1.00 0.00 N ATOM 1177 CA LYS A 84 6.488 -0.148 -3.114 1.00 0.00 C ATOM 1178 C LYS A 84 6.582 1.188 -2.387 1.00 0.00 C ATOM 1179 O LYS A 84 6.942 2.205 -2.980 1.00 0.00 O ATOM 1180 CB LYS A 84 5.103 -0.304 -3.743 1.00 0.00 C ATOM 1181 CG LYS A 84 4.934 -1.592 -4.533 1.00 0.00 C ATOM 1182 CD LYS A 84 5.173 -1.370 -6.017 1.00 0.00 C ATOM 1183 CE LYS A 84 5.686 -2.632 -6.693 1.00 0.00 C ATOM 1184 NZ LYS A 84 6.076 -2.384 -8.109 1.00 0.00 N ATOM 0 H LYS A 84 5.983 -1.908 -2.093 1.00 0.00 H new ATOM 0 HA LYS A 84 7.241 -0.165 -3.902 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.350 -0.269 -2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.915 0.544 -4.402 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.630 -2.343 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.929 -1.985 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.245 -1.053 -6.493 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.894 -0.564 -6.154 1.00 0.00 H new ATOM 0 HE2 LYS A 84 6.545 -3.016 -6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.915 -3.402 -6.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 6.420 -3.268 -8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.251 -2.042 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 6.830 -1.668 -8.141 1.00 0.00 H new ATOM 1198 N LEU A 85 6.257 1.179 -1.098 1.00 0.00 N ATOM 1199 CA LEU A 85 6.305 2.392 -0.289 1.00 0.00 C ATOM 1200 C LEU A 85 7.742 2.736 0.091 1.00 0.00 C ATOM 1201 O LEU A 85 8.596 1.855 0.187 1.00 0.00 O ATOM 1202 CB LEU A 85 5.458 2.222 0.974 1.00 0.00 C ATOM 1203 CG LEU A 85 4.090 1.572 0.754 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.425 1.266 2.087 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.203 2.472 -0.093 1.00 0.00 C ATOM 0 H LEU A 85 5.958 0.346 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 85 5.899 3.211 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.018 1.621 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.309 3.202 1.428 1.00 0.00 H new ATOM 0 HG LEU A 85 4.236 0.633 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.453 0.804 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.053 0.583 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.291 2.191 2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.234 1.994 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.064 3.427 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.675 2.641 -1.061 1.00 0.00 H new ATOM 1217 N THR A 86 7.999 4.021 0.308 1.00 0.00 N ATOM 1218 CA THR A 86 9.332 4.481 0.679 1.00 0.00 C ATOM 1219 C THR A 86 9.253 5.705 1.585 1.00 0.00 C ATOM 1220 O THR A 86 8.226 6.380 1.645 1.00 0.00 O ATOM 1221 CB THR A 86 10.148 4.812 -0.572 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.461 5.745 -1.387 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.456 3.599 -1.424 1.00 0.00 C ATOM 0 H THR A 86 7.302 4.762 0.233 1.00 0.00 H new ATOM 0 HA THR A 86 9.826 3.677 1.225 1.00 0.00 H new ATOM 0 HB THR A 86 11.087 5.225 -0.203 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.960 6.588 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.037 3.904 -2.295 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.029 2.880 -0.839 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.524 3.139 -1.752 1.00 0.00 H new ATOM 1231 N ARG A 87 10.344 5.983 2.293 1.00 0.00 N ATOM 1232 CA ARG A 87 10.397 7.125 3.198 1.00 0.00 C ATOM 1233 C ARG A 87 11.091 8.312 2.537 1.00 0.00 C ATOM 1234 O ARG A 87 11.758 9.102 3.205 1.00 0.00 O ATOM 1235 CB ARG A 87 11.124 6.746 4.488 1.00 0.00 C ATOM 1236 CG ARG A 87 10.215 6.139 5.544 1.00 0.00 C ATOM 1237 CD ARG A 87 10.840 6.214 6.928 1.00 0.00 C ATOM 1238 NE ARG A 87 9.866 5.948 7.984 1.00 0.00 N ATOM 1239 CZ ARG A 87 10.070 6.232 9.268 1.00 0.00 C ATOM 1240 NH1 ARG A 87 11.208 6.790 9.660 1.00 0.00 N ATOM 1241 NH2 ARG A 87 9.132 5.957 10.164 1.00 0.00 N ATOM 0 H ARG A 87 11.202 5.433 2.257 1.00 0.00 H new ATOM 0 HA ARG A 87 9.374 7.415 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.918 6.037 4.253 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.602 7.635 4.900 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.259 6.662 5.547 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.008 5.099 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 87 11.655 5.494 6.997 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.275 7.203 7.076 1.00 0.00 H new ATOM 0 HE ARG A 87 8.978 5.520 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.933 7.004 8.976 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.358 7.005 10.646 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.255 5.528 9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.288 6.174 11.148 1.00 0.00 H new ATOM 1255 N GLN A 88 10.930 8.429 1.224 1.00 0.00 N ATOM 1256 CA GLN A 88 11.541 9.521 0.473 1.00 0.00 C ATOM 1257 C GLN A 88 11.124 9.471 -0.995 1.00 0.00 C ATOM 1258 O GLN A 88 10.901 8.395 -1.550 1.00 0.00 O ATOM 1259 CB GLN A 88 13.066 9.455 0.590 1.00 0.00 C ATOM 1260 CG GLN A 88 13.665 10.608 1.380 1.00 0.00 C ATOM 1261 CD GLN A 88 14.783 11.309 0.633 1.00 0.00 C ATOM 1262 OE1 GLN A 88 14.748 12.525 0.438 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.783 10.545 0.210 1.00 0.00 N ATOM 0 H GLN A 88 10.382 7.782 0.657 1.00 0.00 H new ATOM 0 HA GLN A 88 11.193 10.463 0.896 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.345 8.515 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.499 9.447 -0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 88 12.882 11.329 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.047 10.233 2.330 1.00 0.00 H new ATOM 0 HE21 GLN A 88 15.771 9.542 0.394 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.563 10.961 -0.299 1.00 0.00 H new ATOM 1272 N PRO A 89 11.014 10.642 -1.647 1.00 0.00 N ATOM 1273 CA PRO A 89 10.622 10.726 -3.057 1.00 0.00 C ATOM 1274 C PRO A 89 11.722 10.241 -3.996 1.00 0.00 C ATOM 1275 O PRO A 89 12.778 10.864 -4.105 1.00 0.00 O ATOM 1276 CB PRO A 89 10.365 12.220 -3.263 1.00 0.00 C ATOM 1277 CG PRO A 89 11.224 12.893 -2.250 1.00 0.00 C ATOM 1278 CD PRO A 89 11.263 11.974 -1.061 1.00 0.00 C ATOM 0 HA PRO A 89 9.761 10.095 -3.279 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.627 12.531 -4.274 1.00 0.00 H new ATOM 0 HB3 PRO A 89 9.313 12.465 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 89 12.226 13.066 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.816 13.866 -1.977 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.227 12.015 -0.553 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.503 12.237 -0.325 1.00 0.00 H new ATOM 1286 N SER A 90 11.467 9.124 -4.669 1.00 0.00 N ATOM 1287 CA SER A 90 12.436 8.554 -5.598 1.00 0.00 C ATOM 1288 C SER A 90 11.957 8.697 -7.040 1.00 0.00 C ATOM 1289 O SER A 90 10.897 9.268 -7.298 1.00 0.00 O ATOM 1290 CB SER A 90 12.679 7.079 -5.274 1.00 0.00 C ATOM 1291 OG SER A 90 11.455 6.392 -5.076 1.00 0.00 O ATOM 0 H SER A 90 10.598 8.596 -4.589 1.00 0.00 H new ATOM 0 HA SER A 90 13.372 9.102 -5.488 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.235 6.612 -6.087 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.295 6.997 -4.378 1.00 0.00 H new ATOM 0 HG SER A 90 11.637 5.451 -4.872 1.00 0.00 H new ATOM 1297 N GLY A 91 12.744 8.175 -7.975 1.00 0.00 N ATOM 1298 CA GLY A 91 12.382 8.256 -9.378 1.00 0.00 C ATOM 1299 C GLY A 91 13.510 7.822 -10.296 1.00 0.00 C ATOM 1300 O GLY A 91 13.365 6.857 -11.045 1.00 0.00 O ATOM 0 H GLY A 91 13.625 7.698 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.508 7.631 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 91 12.097 9.280 -9.618 1.00 0.00 H new ATOM 1304 N PRO A 92 14.657 8.522 -10.258 1.00 0.00 N ATOM 1305 CA PRO A 92 15.812 8.191 -11.102 1.00 0.00 C ATOM 1306 C PRO A 92 16.466 6.875 -10.696 1.00 0.00 C ATOM 1307 O PRO A 92 17.022 6.162 -11.534 1.00 0.00 O ATOM 1308 CB PRO A 92 16.771 9.359 -10.868 1.00 0.00 C ATOM 1309 CG PRO A 92 16.403 9.892 -9.526 1.00 0.00 C ATOM 1310 CD PRO A 92 14.919 9.687 -9.394 1.00 0.00 C ATOM 0 HA PRO A 92 15.529 8.059 -12.146 1.00 0.00 H new ATOM 0 HB2 PRO A 92 17.809 9.029 -10.891 1.00 0.00 H new ATOM 0 HB3 PRO A 92 16.662 10.121 -11.640 1.00 0.00 H new ATOM 0 HG2 PRO A 92 16.941 9.368 -8.736 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.661 10.948 -9.441 1.00 0.00 H new ATOM 0 HD2 PRO A 92 14.630 9.494 -8.361 1.00 0.00 H new ATOM 0 HD3 PRO A 92 14.361 10.564 -9.722 1.00 0.00 H new ATOM 1318 N SER A 93 16.396 6.556 -9.409 1.00 0.00 N ATOM 1319 CA SER A 93 16.983 5.324 -8.893 1.00 0.00 C ATOM 1320 C SER A 93 16.022 4.621 -7.940 1.00 0.00 C ATOM 1321 O SER A 93 15.277 5.268 -7.203 1.00 0.00 O ATOM 1322 CB SER A 93 18.301 5.623 -8.175 1.00 0.00 C ATOM 1323 OG SER A 93 18.071 6.093 -6.859 1.00 0.00 O ATOM 0 H SER A 93 15.939 7.133 -8.703 1.00 0.00 H new ATOM 0 HA SER A 93 17.178 4.664 -9.738 1.00 0.00 H new ATOM 0 HB2 SER A 93 18.912 4.721 -8.140 1.00 0.00 H new ATOM 0 HB3 SER A 93 18.864 6.368 -8.737 1.00 0.00 H new ATOM 0 HG SER A 93 18.929 6.275 -6.422 1.00 0.00 H new ATOM 1329 N SER A 94 16.043 3.293 -7.961 1.00 0.00 N ATOM 1330 CA SER A 94 15.172 2.501 -7.098 1.00 0.00 C ATOM 1331 C SER A 94 15.992 1.657 -6.126 1.00 0.00 C ATOM 1332 O SER A 94 15.579 0.565 -5.735 1.00 0.00 O ATOM 1333 CB SER A 94 14.268 1.599 -7.942 1.00 0.00 C ATOM 1334 OG SER A 94 12.902 1.917 -7.743 1.00 0.00 O ATOM 0 H SER A 94 16.653 2.742 -8.565 1.00 0.00 H new ATOM 0 HA SER A 94 14.551 3.186 -6.520 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.521 1.710 -8.996 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.444 0.556 -7.680 1.00 0.00 H new ATOM 0 HG SER A 94 12.345 1.328 -8.294 1.00 0.00 H new ATOM 1340 N GLY A 95 17.156 2.172 -5.740 1.00 0.00 N ATOM 1341 CA GLY A 95 18.016 1.453 -4.817 1.00 0.00 C ATOM 1342 C GLY A 95 18.193 2.184 -3.502 1.00 0.00 C ATOM 1343 O GLY A 95 18.697 1.565 -2.541 1.00 0.00 O ATOM 1344 OXT GLY A 95 17.830 3.377 -3.431 1.00 0.00 O ATOM 0 H GLY A 95 17.519 3.074 -6.050 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.595 0.466 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 95 18.992 1.300 -5.278 1.00 0.00 H new TER 1348 GLY A 95