USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 588 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+ -111:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.49) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 37 SER OG : rot -170:sc=-0.00105 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.59) USER MOD Single : A 57 THR OG1 : rot -90:sc= -0.0392 USER MOD Single : A 58 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-6.6!) USER MOD Single : A 62 SER OG : rot -170:sc= -3.88! USER MOD Single : A 63 SER OG : rot 63:sc= 1.15 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 68 SER OG : rot 180:sc= -0.156 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.39) USER MOD Single : A 74 ASN : amide:sc= -0.046 K(o=-0.046,f=-1.9!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.154 USER MOD Single : A 83 SER OG : rot 33:sc= 0.0608 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00377 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.295 -29.753 26.388 1.00 0.00 N ATOM 2 CA GLY A 1 -14.804 -28.703 25.514 1.00 0.00 C ATOM 3 C GLY A 1 -15.927 -27.901 24.885 1.00 0.00 C ATOM 4 O GLY A 1 -17.099 -28.253 25.016 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.064 -29.520 27.375 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.326 -29.837 26.285 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.847 -30.656 26.132 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.158 -28.034 26.082 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.192 -29.145 24.727 1.00 0.00 H new ATOM 8 N SER A 2 -15.567 -26.819 24.201 1.00 0.00 N ATOM 9 CA SER A 2 -16.554 -25.962 23.554 1.00 0.00 C ATOM 10 C SER A 2 -15.873 -24.927 22.663 1.00 0.00 C ATOM 11 O SER A 2 -14.645 -24.843 22.617 1.00 0.00 O ATOM 12 CB SER A 2 -17.417 -25.259 24.604 1.00 0.00 C ATOM 13 OG SER A 2 -18.679 -24.900 24.069 1.00 0.00 O ATOM 0 H SER A 2 -14.601 -26.516 24.081 1.00 0.00 H new ATOM 0 HA SER A 2 -17.192 -26.589 22.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.556 -25.915 25.463 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.904 -24.367 24.963 1.00 0.00 H new ATOM 0 HG SER A 2 -19.212 -24.454 24.760 1.00 0.00 H new ATOM 19 N SER A 3 -16.679 -24.141 21.957 1.00 0.00 N ATOM 20 CA SER A 3 -16.156 -23.114 21.064 1.00 0.00 C ATOM 21 C SER A 3 -16.685 -21.736 21.452 1.00 0.00 C ATOM 22 O SER A 3 -17.467 -21.601 22.392 1.00 0.00 O ATOM 23 CB SER A 3 -16.532 -23.428 19.615 1.00 0.00 C ATOM 24 OG SER A 3 -15.573 -22.901 18.714 1.00 0.00 O ATOM 0 H SER A 3 -17.697 -24.196 21.986 1.00 0.00 H new ATOM 0 HA SER A 3 -15.070 -23.106 21.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.607 -24.507 19.481 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.514 -23.010 19.392 1.00 0.00 H new ATOM 0 HG SER A 3 -15.835 -23.116 17.795 1.00 0.00 H new ATOM 30 N GLY A 4 -16.251 -20.715 20.719 1.00 0.00 N ATOM 31 CA GLY A 4 -16.691 -19.361 21.000 1.00 0.00 C ATOM 32 C GLY A 4 -16.948 -18.561 19.739 1.00 0.00 C ATOM 33 O GLY A 4 -17.034 -19.122 18.647 1.00 0.00 O ATOM 0 H GLY A 4 -15.603 -20.801 19.936 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.602 -19.395 21.597 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.936 -18.854 21.600 1.00 0.00 H new ATOM 37 N SER A 5 -17.073 -17.246 19.889 1.00 0.00 N ATOM 38 CA SER A 5 -17.328 -16.368 18.753 1.00 0.00 C ATOM 39 C SER A 5 -16.657 -15.012 18.953 1.00 0.00 C ATOM 40 O SER A 5 -16.210 -14.685 20.052 1.00 0.00 O ATOM 41 CB SER A 5 -18.833 -16.180 18.554 1.00 0.00 C ATOM 42 OG SER A 5 -19.118 -15.690 17.255 1.00 0.00 O ATOM 0 H SER A 5 -17.002 -16.765 20.786 1.00 0.00 H new ATOM 0 HA SER A 5 -16.907 -16.835 17.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.345 -17.130 18.708 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.218 -15.485 19.301 1.00 0.00 H new ATOM 0 HG SER A 5 -20.086 -15.580 17.152 1.00 0.00 H new ATOM 48 N SER A 6 -16.591 -14.228 17.882 1.00 0.00 N ATOM 49 CA SER A 6 -15.971 -12.909 17.937 1.00 0.00 C ATOM 50 C SER A 6 -16.385 -12.064 16.737 1.00 0.00 C ATOM 51 O SER A 6 -16.538 -12.573 15.627 1.00 0.00 O ATOM 52 CB SER A 6 -14.448 -13.039 17.983 1.00 0.00 C ATOM 53 OG SER A 6 -13.852 -11.874 18.528 1.00 0.00 O ATOM 0 H SER A 6 -16.959 -14.483 16.966 1.00 0.00 H new ATOM 0 HA SER A 6 -16.313 -12.412 18.845 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.172 -13.907 18.582 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.064 -13.211 16.977 1.00 0.00 H new ATOM 0 HG SER A 6 -12.878 -11.983 18.548 1.00 0.00 H new ATOM 59 N GLY A 7 -16.565 -10.766 16.967 1.00 0.00 N ATOM 60 CA GLY A 7 -16.959 -9.870 15.896 1.00 0.00 C ATOM 61 C GLY A 7 -15.779 -9.402 15.068 1.00 0.00 C ATOM 62 O GLY A 7 -14.634 -9.479 15.510 1.00 0.00 O ATOM 0 H GLY A 7 -16.445 -10.320 17.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.675 -10.376 15.249 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.468 -9.004 16.320 1.00 0.00 H new ATOM 66 N GLU A 8 -16.060 -8.918 13.862 1.00 0.00 N ATOM 67 CA GLU A 8 -15.011 -8.439 12.969 1.00 0.00 C ATOM 68 C GLU A 8 -15.210 -6.962 12.640 1.00 0.00 C ATOM 69 O GLU A 8 -16.282 -6.552 12.194 1.00 0.00 O ATOM 70 CB GLU A 8 -14.993 -9.262 11.679 1.00 0.00 C ATOM 71 CG GLU A 8 -14.495 -10.685 11.872 1.00 0.00 C ATOM 72 CD GLU A 8 -15.411 -11.508 12.757 1.00 0.00 C ATOM 73 OE1 GLU A 8 -16.591 -11.684 12.388 1.00 0.00 O ATOM 74 OE2 GLU A 8 -14.948 -11.977 13.818 1.00 0.00 O ATOM 0 H GLU A 8 -17.004 -8.847 13.481 1.00 0.00 H new ATOM 0 HA GLU A 8 -14.054 -8.555 13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -16.000 -9.292 11.263 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.360 -8.761 10.947 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.404 -11.169 10.900 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -13.497 -10.661 12.311 1.00 0.00 H new ATOM 81 N LEU A 9 -14.169 -6.168 12.863 1.00 0.00 N ATOM 82 CA LEU A 9 -14.227 -4.736 12.591 1.00 0.00 C ATOM 83 C LEU A 9 -12.955 -4.260 11.898 1.00 0.00 C ATOM 84 O LEU A 9 -11.886 -4.844 12.075 1.00 0.00 O ATOM 85 CB LEU A 9 -14.434 -3.957 13.892 1.00 0.00 C ATOM 86 CG LEU A 9 -15.707 -4.283 14.674 1.00 0.00 C ATOM 87 CD1 LEU A 9 -15.523 -3.965 16.149 1.00 0.00 C ATOM 88 CD2 LEU A 9 -16.893 -3.519 14.105 1.00 0.00 C ATOM 0 H LEU A 9 -13.274 -6.491 13.231 1.00 0.00 H new ATOM 0 HA LEU A 9 -15.071 -4.553 11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.577 -4.138 14.541 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.438 -2.892 13.658 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.908 -5.350 14.576 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.439 -4.203 16.690 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.701 -4.558 16.549 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.297 -2.905 16.267 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -17.790 -3.763 14.674 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -16.702 -2.448 14.172 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -17.038 -3.797 13.061 1.00 0.00 H new ATOM 100 N GLU A 10 -13.078 -3.197 11.110 1.00 0.00 N ATOM 101 CA GLU A 10 -11.936 -2.643 10.391 1.00 0.00 C ATOM 102 C GLU A 10 -11.629 -1.226 10.867 1.00 0.00 C ATOM 103 O GLU A 10 -12.456 -0.320 10.774 1.00 0.00 O ATOM 104 CB GLU A 10 -12.206 -2.639 8.885 1.00 0.00 C ATOM 105 CG GLU A 10 -12.509 -4.016 8.317 1.00 0.00 C ATOM 106 CD GLU A 10 -11.274 -4.890 8.218 1.00 0.00 C ATOM 107 OE1 GLU A 10 -10.372 -4.742 9.070 1.00 0.00 O ATOM 108 OE2 GLU A 10 -11.208 -5.721 7.289 1.00 0.00 O ATOM 0 H GLU A 10 -13.956 -2.702 10.953 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.070 -3.273 10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.046 -1.976 8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.339 -2.226 8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.250 -4.510 8.946 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.953 -3.907 7.328 1.00 0.00 H new ATOM 115 N PRO A 11 -10.410 -1.030 11.392 1.00 0.00 N ATOM 116 CA PRO A 11 -9.964 0.273 11.893 1.00 0.00 C ATOM 117 C PRO A 11 -9.752 1.284 10.772 1.00 0.00 C ATOM 118 O PRO A 11 -9.603 0.913 9.608 1.00 0.00 O ATOM 119 CB PRO A 11 -8.635 -0.048 12.583 1.00 0.00 C ATOM 120 CG PRO A 11 -8.145 -1.280 11.905 1.00 0.00 C ATOM 121 CD PRO A 11 -9.372 -2.066 11.534 1.00 0.00 C ATOM 0 HA PRO A 11 -10.702 0.731 12.552 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -7.925 0.772 12.476 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.773 -0.212 13.652 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.559 -1.031 11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.497 -1.857 12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.229 -2.621 10.607 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.632 -2.793 12.304 1.00 0.00 H new ATOM 129 N GLY A 12 -9.738 2.565 11.130 1.00 0.00 N ATOM 130 CA GLY A 12 -9.543 3.609 10.142 1.00 0.00 C ATOM 131 C GLY A 12 -10.767 3.821 9.273 1.00 0.00 C ATOM 132 O GLY A 12 -11.476 4.816 9.420 1.00 0.00 O ATOM 0 H GLY A 12 -9.858 2.898 12.087 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.294 4.542 10.648 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.693 3.353 9.510 1.00 0.00 H new ATOM 136 N ALA A 13 -11.015 2.884 8.364 1.00 0.00 N ATOM 137 CA ALA A 13 -12.161 2.973 7.468 1.00 0.00 C ATOM 138 C ALA A 13 -12.375 4.405 6.990 1.00 0.00 C ATOM 139 O ALA A 13 -13.510 4.858 6.844 1.00 0.00 O ATOM 140 CB ALA A 13 -13.413 2.453 8.160 1.00 0.00 C ATOM 0 H ALA A 13 -10.437 2.054 8.229 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.957 2.353 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.261 2.525 7.480 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.265 1.412 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.611 3.049 9.051 1.00 0.00 H new ATOM 146 N PHE A 14 -11.277 5.114 6.750 1.00 0.00 N ATOM 147 CA PHE A 14 -11.345 6.496 6.290 1.00 0.00 C ATOM 148 C PHE A 14 -11.959 6.576 4.896 1.00 0.00 C ATOM 149 O PHE A 14 -11.525 5.885 3.974 1.00 0.00 O ATOM 150 CB PHE A 14 -9.948 7.122 6.281 1.00 0.00 C ATOM 151 CG PHE A 14 -9.481 7.565 7.638 1.00 0.00 C ATOM 152 CD1 PHE A 14 -8.976 6.648 8.545 1.00 0.00 C ATOM 153 CD2 PHE A 14 -9.549 8.899 8.007 1.00 0.00 C ATOM 154 CE1 PHE A 14 -8.545 7.052 9.795 1.00 0.00 C ATOM 155 CE2 PHE A 14 -9.119 9.309 9.255 1.00 0.00 C ATOM 156 CZ PHE A 14 -8.617 8.384 10.150 1.00 0.00 C ATOM 0 H PHE A 14 -10.330 4.754 6.866 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.980 7.051 6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -9.238 6.400 5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.947 7.979 5.607 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.918 5.605 8.272 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.942 9.626 7.312 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.153 6.327 10.492 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.175 10.352 9.530 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.281 8.703 11.126 1.00 0.00 H new ATOM 166 N SER A 15 -12.972 7.424 4.750 1.00 0.00 N ATOM 167 CA SER A 15 -13.650 7.592 3.469 1.00 0.00 C ATOM 168 C SER A 15 -12.813 8.442 2.519 1.00 0.00 C ATOM 169 O SER A 15 -11.773 8.977 2.901 1.00 0.00 O ATOM 170 CB SER A 15 -15.021 8.238 3.675 1.00 0.00 C ATOM 171 OG SER A 15 -15.890 7.373 4.387 1.00 0.00 O ATOM 0 H SER A 15 -13.342 8.005 5.502 1.00 0.00 H new ATOM 0 HA SER A 15 -13.784 6.606 3.024 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.907 9.174 4.221 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.460 8.484 2.708 1.00 0.00 H new ATOM 0 HG SER A 15 -16.759 7.809 4.507 1.00 0.00 H new ATOM 177 N GLU A 16 -13.275 8.560 1.278 1.00 0.00 N ATOM 178 CA GLU A 16 -12.568 9.344 0.272 1.00 0.00 C ATOM 179 C GLU A 16 -12.674 10.837 0.572 1.00 0.00 C ATOM 180 O GLU A 16 -13.474 11.258 1.408 1.00 0.00 O ATOM 181 CB GLU A 16 -13.129 9.052 -1.121 1.00 0.00 C ATOM 182 CG GLU A 16 -12.213 9.491 -2.251 1.00 0.00 C ATOM 183 CD GLU A 16 -12.560 8.834 -3.573 1.00 0.00 C ATOM 184 OE1 GLU A 16 -13.701 9.018 -4.046 1.00 0.00 O ATOM 185 OE2 GLU A 16 -11.689 8.136 -4.134 1.00 0.00 O ATOM 0 H GLU A 16 -14.135 8.123 0.946 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.516 9.059 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.316 7.982 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.091 9.554 -1.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.272 10.574 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -11.182 9.253 -1.991 1.00 0.00 H new ATOM 192 N LEU A 17 -11.860 11.631 -0.115 1.00 0.00 N ATOM 193 CA LEU A 17 -11.861 13.077 0.078 1.00 0.00 C ATOM 194 C LEU A 17 -11.693 13.804 -1.253 1.00 0.00 C ATOM 195 O LEU A 17 -11.428 13.182 -2.282 1.00 0.00 O ATOM 196 CB LEU A 17 -10.742 13.484 1.039 1.00 0.00 C ATOM 197 CG LEU A 17 -10.680 12.716 2.359 1.00 0.00 C ATOM 198 CD1 LEU A 17 -9.255 12.686 2.892 1.00 0.00 C ATOM 199 CD2 LEU A 17 -11.621 13.336 3.382 1.00 0.00 C ATOM 0 H LEU A 17 -11.192 11.298 -0.810 1.00 0.00 H new ATOM 0 HA LEU A 17 -12.822 13.361 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.788 13.363 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.851 14.545 1.264 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.000 11.690 2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.230 12.135 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.606 12.196 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.908 13.706 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.564 12.776 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -11.332 14.372 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.642 13.305 3.003 1.00 0.00 H new ATOM 211 N TYR A 18 -11.846 15.123 -1.224 1.00 0.00 N ATOM 212 CA TYR A 18 -11.712 15.935 -2.428 1.00 0.00 C ATOM 213 C TYR A 18 -10.249 16.060 -2.840 1.00 0.00 C ATOM 214 O TYR A 18 -9.909 15.916 -4.014 1.00 0.00 O ATOM 215 CB TYR A 18 -12.311 17.324 -2.201 1.00 0.00 C ATOM 216 CG TYR A 18 -11.900 17.953 -0.889 1.00 0.00 C ATOM 217 CD1 TYR A 18 -12.564 17.644 0.291 1.00 0.00 C ATOM 218 CD2 TYR A 18 -10.846 18.858 -0.830 1.00 0.00 C ATOM 219 CE1 TYR A 18 -12.192 18.217 1.491 1.00 0.00 C ATOM 220 CE2 TYR A 18 -10.467 19.435 0.366 1.00 0.00 C ATOM 221 CZ TYR A 18 -11.143 19.112 1.524 1.00 0.00 C ATOM 222 OH TYR A 18 -10.769 19.684 2.718 1.00 0.00 O ATOM 0 H TYR A 18 -12.063 15.653 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.256 15.440 -3.232 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.009 17.979 -3.019 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -13.398 17.252 -2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.386 16.943 0.270 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -10.315 19.114 -1.735 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -12.720 17.966 2.399 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -9.646 20.136 0.394 1.00 0.00 H new ATOM 0 HH TYR A 18 -10.013 20.290 2.568 1.00 0.00 H new ATOM 232 N GLN A 19 -9.387 16.329 -1.864 1.00 0.00 N ATOM 233 CA GLN A 19 -7.960 16.474 -2.124 1.00 0.00 C ATOM 234 C GLN A 19 -7.335 15.134 -2.498 1.00 0.00 C ATOM 235 O GLN A 19 -7.901 14.076 -2.221 1.00 0.00 O ATOM 236 CB GLN A 19 -7.253 17.055 -0.899 1.00 0.00 C ATOM 237 CG GLN A 19 -7.227 18.575 -0.875 1.00 0.00 C ATOM 238 CD GLN A 19 -6.575 19.128 0.377 1.00 0.00 C ATOM 239 OE1 GLN A 19 -5.501 19.728 0.318 1.00 0.00 O ATOM 240 NE2 GLN A 19 -7.222 18.930 1.519 1.00 0.00 N ATOM 0 H GLN A 19 -9.652 16.451 -0.887 1.00 0.00 H new ATOM 0 HA GLN A 19 -7.838 17.158 -2.964 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.750 16.694 0.002 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.229 16.682 -0.870 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.690 18.939 -1.751 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -8.247 18.953 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.110 18.427 1.522 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -6.832 19.281 2.394 1.00 0.00 H new ATOM 249 N ARG A 20 -6.167 15.186 -3.129 1.00 0.00 N ATOM 250 CA ARG A 20 -5.467 13.976 -3.542 1.00 0.00 C ATOM 251 C ARG A 20 -5.261 13.036 -2.358 1.00 0.00 C ATOM 252 O ARG A 20 -4.988 13.478 -1.242 1.00 0.00 O ATOM 253 CB ARG A 20 -4.116 14.331 -4.167 1.00 0.00 C ATOM 254 CG ARG A 20 -3.619 13.301 -5.168 1.00 0.00 C ATOM 255 CD ARG A 20 -4.114 13.607 -6.573 1.00 0.00 C ATOM 256 NE ARG A 20 -3.339 14.670 -7.207 1.00 0.00 N ATOM 257 CZ ARG A 20 -3.280 14.853 -8.522 1.00 0.00 C ATOM 258 NH1 ARG A 20 -3.947 14.048 -9.337 1.00 0.00 N ATOM 259 NH2 ARG A 20 -2.553 15.843 -9.023 1.00 0.00 N ATOM 0 H ARG A 20 -5.685 16.053 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.081 13.467 -4.285 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.198 15.298 -4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.376 14.441 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.529 13.281 -5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.958 12.309 -4.870 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.057 12.705 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.163 13.899 -6.532 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.814 15.307 -6.608 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.507 13.286 -8.955 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.900 14.191 -10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.039 16.465 -8.399 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.508 15.983 -10.032 1.00 0.00 H new ATOM 273 N TYR A 21 -5.393 11.738 -2.610 1.00 0.00 N ATOM 274 CA TYR A 21 -5.225 10.736 -1.564 1.00 0.00 C ATOM 275 C TYR A 21 -3.749 10.406 -1.359 1.00 0.00 C ATOM 276 O TYR A 21 -3.111 9.804 -2.223 1.00 0.00 O ATOM 277 CB TYR A 21 -5.999 9.465 -1.917 1.00 0.00 C ATOM 278 CG TYR A 21 -6.085 8.473 -0.780 1.00 0.00 C ATOM 279 CD1 TYR A 21 -5.063 7.561 -0.548 1.00 0.00 C ATOM 280 CD2 TYR A 21 -7.189 8.448 0.064 1.00 0.00 C ATOM 281 CE1 TYR A 21 -5.138 6.652 0.489 1.00 0.00 C ATOM 282 CE2 TYR A 21 -7.272 7.544 1.105 1.00 0.00 C ATOM 283 CZ TYR A 21 -6.245 6.648 1.313 1.00 0.00 C ATOM 284 OH TYR A 21 -6.323 5.745 2.349 1.00 0.00 O ATOM 0 H TYR A 21 -5.616 11.355 -3.529 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.620 11.147 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.008 9.738 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.522 8.985 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.194 7.563 -1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.996 9.148 -0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.335 5.949 0.654 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -8.136 7.539 1.752 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.165 5.875 2.834 1.00 0.00 H new ATOM 294 N ARG A 22 -3.215 10.803 -0.209 1.00 0.00 N ATOM 295 CA ARG A 22 -1.815 10.551 0.111 1.00 0.00 C ATOM 296 C ARG A 22 -1.678 9.936 1.500 1.00 0.00 C ATOM 297 O ARG A 22 -1.589 10.648 2.501 1.00 0.00 O ATOM 298 CB ARG A 22 -1.010 11.850 0.035 1.00 0.00 C ATOM 299 CG ARG A 22 -1.075 12.527 -1.324 1.00 0.00 C ATOM 300 CD ARG A 22 0.029 13.561 -1.484 1.00 0.00 C ATOM 301 NE ARG A 22 0.382 13.772 -2.886 1.00 0.00 N ATOM 302 CZ ARG A 22 1.029 14.845 -3.327 1.00 0.00 C ATOM 303 NH1 ARG A 22 1.391 15.799 -2.481 1.00 0.00 N ATOM 304 NH2 ARG A 22 1.314 14.965 -4.617 1.00 0.00 N ATOM 0 H ARG A 22 -3.731 11.301 0.517 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.422 9.845 -0.621 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.378 12.541 0.794 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.031 11.637 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.989 11.777 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.046 13.007 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.292 14.505 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.912 13.237 -0.933 1.00 0.00 H new ATOM 0 HE ARG A 22 0.117 13.056 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.173 15.710 -1.489 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.888 16.622 -2.822 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.036 14.233 -5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.811 15.789 -4.955 1.00 0.00 H new ATOM 318 N HIS A 23 -1.661 8.607 1.555 1.00 0.00 N ATOM 319 CA HIS A 23 -1.535 7.896 2.822 1.00 0.00 C ATOM 320 C HIS A 23 -0.897 6.525 2.613 1.00 0.00 C ATOM 321 O HIS A 23 -1.502 5.631 2.021 1.00 0.00 O ATOM 322 CB HIS A 23 -2.905 7.739 3.482 1.00 0.00 C ATOM 323 CG HIS A 23 -3.425 9.005 4.090 1.00 0.00 C ATOM 324 ND1 HIS A 23 -2.962 9.512 5.285 1.00 0.00 N ATOM 325 CD2 HIS A 23 -4.374 9.869 3.659 1.00 0.00 C ATOM 326 CE1 HIS A 23 -3.604 10.632 5.565 1.00 0.00 C ATOM 327 NE2 HIS A 23 -4.467 10.871 4.593 1.00 0.00 N ATOM 0 H HIS A 23 -1.733 8.002 0.737 1.00 0.00 H new ATOM 0 HA HIS A 23 -0.890 8.482 3.477 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -3.618 7.383 2.739 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -2.841 6.974 4.255 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -4.951 9.786 2.750 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.450 11.247 6.439 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.099 11.670 4.545 1.00 0.00 H new ATOM 336 N CYS A 24 0.328 6.367 3.104 1.00 0.00 N ATOM 337 CA CYS A 24 1.049 5.107 2.971 1.00 0.00 C ATOM 338 C CYS A 24 0.210 3.943 3.492 1.00 0.00 C ATOM 339 O CYS A 24 -0.209 3.936 4.649 1.00 0.00 O ATOM 340 CB CYS A 24 2.376 5.172 3.728 1.00 0.00 C ATOM 341 SG CYS A 24 3.212 3.563 3.903 1.00 0.00 S ATOM 0 H CYS A 24 0.842 7.097 3.598 1.00 0.00 H new ATOM 0 HA CYS A 24 1.250 4.942 1.912 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.043 5.862 3.211 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.196 5.586 4.720 1.00 0.00 H new ATOM 346 N ASP A 25 -0.030 2.962 2.630 1.00 0.00 N ATOM 347 CA ASP A 25 -0.817 1.792 3.002 1.00 0.00 C ATOM 348 C ASP A 25 -0.127 0.508 2.554 1.00 0.00 C ATOM 349 O ASP A 25 -0.783 -0.493 2.265 1.00 0.00 O ATOM 350 CB ASP A 25 -2.216 1.875 2.389 1.00 0.00 C ATOM 351 CG ASP A 25 -3.205 2.578 3.297 1.00 0.00 C ATOM 352 OD1 ASP A 25 -3.028 3.790 3.544 1.00 0.00 O ATOM 353 OD2 ASP A 25 -4.158 1.917 3.760 1.00 0.00 O ATOM 0 H ASP A 25 0.309 2.953 1.668 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.906 1.775 4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.162 2.404 1.437 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.576 0.869 2.175 1.00 0.00 H new ATOM 358 N ALA A 26 1.200 0.543 2.499 1.00 0.00 N ATOM 359 CA ALA A 26 1.979 -0.618 2.087 1.00 0.00 C ATOM 360 C ALA A 26 2.243 -1.548 3.266 1.00 0.00 C ATOM 361 O ALA A 26 2.020 -1.199 4.425 1.00 0.00 O ATOM 362 CB ALA A 26 3.292 -0.176 1.456 1.00 0.00 C ATOM 0 H ALA A 26 1.758 1.363 2.735 1.00 0.00 H new ATOM 0 HA ALA A 26 1.400 -1.169 1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 26 3.864 -1.053 1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.086 0.442 0.582 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.868 0.400 2.180 1.00 0.00 H new ATOM 368 N PRO A 27 2.730 -2.761 2.966 1.00 0.00 N ATOM 369 CA PRO A 27 3.034 -3.767 3.988 1.00 0.00 C ATOM 370 C PRO A 27 4.243 -3.385 4.836 1.00 0.00 C ATOM 371 O PRO A 27 4.180 -3.400 6.065 1.00 0.00 O ATOM 372 CB PRO A 27 3.332 -5.026 3.169 1.00 0.00 C ATOM 373 CG PRO A 27 3.785 -4.518 1.844 1.00 0.00 C ATOM 374 CD PRO A 27 3.020 -3.245 1.605 1.00 0.00 C ATOM 0 HA PRO A 27 2.215 -3.887 4.698 1.00 0.00 H new ATOM 0 HB2 PRO A 27 4.102 -5.634 3.644 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.446 -5.653 3.071 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.859 -4.334 1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.586 -5.246 1.058 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.608 -2.523 1.038 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.106 -3.426 1.039 1.00 0.00 H new ATOM 382 N ILE A 28 5.341 -3.041 4.171 1.00 0.00 N ATOM 383 CA ILE A 28 6.563 -2.653 4.864 1.00 0.00 C ATOM 384 C ILE A 28 7.047 -1.283 4.401 1.00 0.00 C ATOM 385 O ILE A 28 7.059 -0.989 3.205 1.00 0.00 O ATOM 386 CB ILE A 28 7.686 -3.683 4.645 1.00 0.00 C ATOM 387 CG1 ILE A 28 7.253 -5.059 5.154 1.00 0.00 C ATOM 388 CG2 ILE A 28 8.962 -3.233 5.341 1.00 0.00 C ATOM 389 CD1 ILE A 28 6.811 -5.057 6.600 1.00 0.00 C ATOM 0 H ILE A 28 5.409 -3.023 3.153 1.00 0.00 H new ATOM 0 HA ILE A 28 6.323 -2.610 5.926 1.00 0.00 H new ATOM 0 HB ILE A 28 7.885 -3.758 3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 28 6.436 -5.426 4.533 1.00 0.00 H new ATOM 0 HG13 ILE A 28 8.081 -5.758 5.037 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.746 -3.972 5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.278 -2.272 4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 28 8.777 -3.132 6.410 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.518 -6.065 6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.633 -4.720 7.231 1.00 0.00 H new ATOM 0 HD13 ILE A 28 5.962 -4.384 6.720 1.00 0.00 H new ATOM 401 N CYS A 29 7.447 -0.449 5.354 1.00 0.00 N ATOM 402 CA CYS A 29 7.933 0.890 5.045 1.00 0.00 C ATOM 403 C CYS A 29 9.382 1.059 5.494 1.00 0.00 C ATOM 404 O CYS A 29 9.702 0.899 6.673 1.00 0.00 O ATOM 405 CB CYS A 29 7.053 1.944 5.720 1.00 0.00 C ATOM 406 SG CYS A 29 7.012 3.545 4.851 1.00 0.00 S ATOM 0 H CYS A 29 7.444 -0.677 6.348 1.00 0.00 H new ATOM 0 HA CYS A 29 7.887 1.026 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 29 6.036 1.558 5.797 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.411 2.104 6.737 1.00 0.00 H new ATOM 411 N LEU A 30 10.255 1.384 4.546 1.00 0.00 N ATOM 412 CA LEU A 30 11.670 1.575 4.843 1.00 0.00 C ATOM 413 C LEU A 30 11.988 3.053 5.050 1.00 0.00 C ATOM 414 O LEU A 30 12.873 3.404 5.831 1.00 0.00 O ATOM 415 CB LEU A 30 12.530 1.011 3.710 1.00 0.00 C ATOM 416 CG LEU A 30 12.159 -0.389 3.220 1.00 0.00 C ATOM 417 CD1 LEU A 30 12.503 -0.548 1.747 1.00 0.00 C ATOM 418 CD2 LEU A 30 12.866 -1.450 4.052 1.00 0.00 C ATOM 0 H LEU A 30 10.008 1.521 3.566 1.00 0.00 H new ATOM 0 HA LEU A 30 11.898 1.040 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.476 1.696 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 30 13.568 0.995 4.042 1.00 0.00 H new ATOM 0 HG LEU A 30 11.083 -0.521 3.337 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.232 -1.551 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.951 0.188 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.573 -0.396 1.605 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.590 -2.440 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.945 -1.320 3.967 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.570 -1.351 5.096 1.00 0.00 H new ATOM 430 N TYR A 31 11.260 3.913 4.347 1.00 0.00 N ATOM 431 CA TYR A 31 11.464 5.353 4.454 1.00 0.00 C ATOM 432 C TYR A 31 11.274 5.825 5.892 1.00 0.00 C ATOM 433 O TYR A 31 10.158 5.834 6.411 1.00 0.00 O ATOM 434 CB TYR A 31 10.498 6.096 3.530 1.00 0.00 C ATOM 435 CG TYR A 31 10.894 7.532 3.269 1.00 0.00 C ATOM 436 CD1 TYR A 31 12.144 7.846 2.751 1.00 0.00 C ATOM 437 CD2 TYR A 31 10.017 8.575 3.541 1.00 0.00 C ATOM 438 CE1 TYR A 31 12.509 9.157 2.512 1.00 0.00 C ATOM 439 CE2 TYR A 31 10.373 9.888 3.304 1.00 0.00 C ATOM 440 CZ TYR A 31 11.621 10.174 2.790 1.00 0.00 C ATOM 441 OH TYR A 31 11.980 11.481 2.552 1.00 0.00 O ATOM 0 H TYR A 31 10.523 3.638 3.697 1.00 0.00 H new ATOM 0 HA TYR A 31 12.488 5.573 4.151 1.00 0.00 H new ATOM 0 HB2 TYR A 31 10.438 5.566 2.579 1.00 0.00 H new ATOM 0 HB3 TYR A 31 9.501 6.077 3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.842 7.052 2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 31 9.040 8.355 3.945 1.00 0.00 H new ATOM 0 HE1 TYR A 31 13.485 9.384 2.109 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.678 10.686 3.520 1.00 0.00 H new ATOM 0 HH TYR A 31 11.240 12.074 2.801 1.00 0.00 H new ATOM 451 N GLU A 32 12.373 6.218 6.530 1.00 0.00 N ATOM 452 CA GLU A 32 12.327 6.691 7.908 1.00 0.00 C ATOM 453 C GLU A 32 11.049 7.482 8.170 1.00 0.00 C ATOM 454 O GLU A 32 10.335 7.223 9.139 1.00 0.00 O ATOM 455 CB GLU A 32 13.549 7.561 8.212 1.00 0.00 C ATOM 456 CG GLU A 32 14.851 6.780 8.280 1.00 0.00 C ATOM 457 CD GLU A 32 14.828 5.700 9.344 1.00 0.00 C ATOM 458 OE1 GLU A 32 14.870 6.048 10.543 1.00 0.00 O ATOM 459 OE2 GLU A 32 14.770 4.507 8.979 1.00 0.00 O ATOM 0 H GLU A 32 13.305 6.218 6.114 1.00 0.00 H new ATOM 0 HA GLU A 32 12.336 5.821 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.636 8.331 7.445 1.00 0.00 H new ATOM 0 HB3 GLU A 32 13.393 8.073 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 32 15.048 6.325 7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 32 15.672 7.467 8.483 1.00 0.00 H new ATOM 466 N GLN A 33 10.767 8.446 7.300 1.00 0.00 N ATOM 467 CA GLN A 33 9.576 9.275 7.438 1.00 0.00 C ATOM 468 C GLN A 33 8.338 8.415 7.671 1.00 0.00 C ATOM 469 O GLN A 33 7.701 8.498 8.719 1.00 0.00 O ATOM 470 CB GLN A 33 9.384 10.140 6.191 1.00 0.00 C ATOM 471 CG GLN A 33 8.705 11.471 6.472 1.00 0.00 C ATOM 472 CD GLN A 33 9.695 12.574 6.792 1.00 0.00 C ATOM 473 OE1 GLN A 33 10.322 12.574 7.852 1.00 0.00 O ATOM 474 NE2 GLN A 33 9.840 13.524 5.875 1.00 0.00 N ATOM 0 H GLN A 33 11.347 8.672 6.492 1.00 0.00 H new ATOM 0 HA GLN A 33 9.713 9.923 8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.356 10.327 5.735 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.792 9.586 5.463 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.110 11.761 5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.015 11.353 7.307 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.300 13.485 5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.491 14.293 6.035 1.00 0.00 H new ATOM 483 N GLY A 34 8.004 7.589 6.684 1.00 0.00 N ATOM 484 CA GLY A 34 6.843 6.726 6.801 1.00 0.00 C ATOM 485 C GLY A 34 5.560 7.421 6.393 1.00 0.00 C ATOM 486 O GLY A 34 4.691 6.816 5.764 1.00 0.00 O ATOM 0 H GLY A 34 8.516 7.502 5.806 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.987 5.842 6.180 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.754 6.380 7.831 1.00 0.00 H new ATOM 490 N ARG A 35 5.439 8.695 6.751 1.00 0.00 N ATOM 491 CA ARG A 35 4.251 9.473 6.420 1.00 0.00 C ATOM 492 C ARG A 35 4.015 9.490 4.913 1.00 0.00 C ATOM 493 O ARG A 35 4.719 8.820 4.157 1.00 0.00 O ATOM 494 CB ARG A 35 4.391 10.904 6.942 1.00 0.00 C ATOM 495 CG ARG A 35 5.164 11.820 6.007 1.00 0.00 C ATOM 496 CD ARG A 35 5.885 12.918 6.774 1.00 0.00 C ATOM 497 NE ARG A 35 5.039 14.091 6.976 1.00 0.00 N ATOM 498 CZ ARG A 35 5.484 15.241 7.469 1.00 0.00 C ATOM 499 NH1 ARG A 35 6.759 15.373 7.807 1.00 0.00 N ATOM 500 NH2 ARG A 35 4.653 16.264 7.623 1.00 0.00 N ATOM 0 H ARG A 35 6.149 9.211 7.271 1.00 0.00 H new ATOM 0 HA ARG A 35 3.393 9.001 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.397 11.321 7.106 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.891 10.881 7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.888 11.235 5.439 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.480 12.267 5.286 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.207 12.533 7.741 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.784 13.209 6.231 1.00 0.00 H new ATOM 0 HE ARG A 35 4.053 14.023 6.725 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.402 14.590 7.689 1.00 0.00 H new ATOM 0 HH12 ARG A 35 7.097 16.258 8.185 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.672 16.167 7.363 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.996 17.147 8.002 1.00 0.00 H new ATOM 514 N ASP A 36 3.020 10.259 4.484 1.00 0.00 N ATOM 515 CA ASP A 36 2.691 10.364 3.067 1.00 0.00 C ATOM 516 C ASP A 36 3.661 11.299 2.352 1.00 0.00 C ATOM 517 O ASP A 36 3.251 12.150 1.563 1.00 0.00 O ATOM 518 CB ASP A 36 1.257 10.865 2.890 1.00 0.00 C ATOM 519 CG ASP A 36 0.922 12.005 3.831 1.00 0.00 C ATOM 520 OD1 ASP A 36 0.975 11.794 5.061 1.00 0.00 O ATOM 521 OD2 ASP A 36 0.604 13.108 3.338 1.00 0.00 O ATOM 0 H ASP A 36 2.427 10.819 5.097 1.00 0.00 H new ATOM 0 HA ASP A 36 2.778 9.372 2.625 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.115 11.194 1.861 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.564 10.041 3.060 1.00 0.00 H new ATOM 526 N SER A 37 4.950 11.136 2.634 1.00 0.00 N ATOM 527 CA SER A 37 5.978 11.969 2.022 1.00 0.00 C ATOM 528 C SER A 37 6.651 11.238 0.864 1.00 0.00 C ATOM 529 O SER A 37 7.344 10.240 1.063 1.00 0.00 O ATOM 530 CB SER A 37 7.025 12.371 3.063 1.00 0.00 C ATOM 531 OG SER A 37 6.668 13.584 3.703 1.00 0.00 O ATOM 0 H SER A 37 5.307 10.434 3.283 1.00 0.00 H new ATOM 0 HA SER A 37 5.499 12.867 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 37 7.126 11.580 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.997 12.482 2.582 1.00 0.00 H new ATOM 0 HG SER A 37 7.420 13.902 4.245 1.00 0.00 H new ATOM 537 N PHE A 38 6.440 11.742 -0.348 1.00 0.00 N ATOM 538 CA PHE A 38 7.025 11.138 -1.539 1.00 0.00 C ATOM 539 C PHE A 38 7.639 12.203 -2.443 1.00 0.00 C ATOM 540 O PHE A 38 7.432 13.399 -2.240 1.00 0.00 O ATOM 541 CB PHE A 38 5.964 10.349 -2.309 1.00 0.00 C ATOM 542 CG PHE A 38 4.993 9.625 -1.421 1.00 0.00 C ATOM 543 CD1 PHE A 38 3.900 10.285 -0.883 1.00 0.00 C ATOM 544 CD2 PHE A 38 5.174 8.284 -1.123 1.00 0.00 C ATOM 545 CE1 PHE A 38 3.005 9.622 -0.066 1.00 0.00 C ATOM 546 CE2 PHE A 38 4.281 7.615 -0.307 1.00 0.00 C ATOM 547 CZ PHE A 38 3.196 8.285 0.224 1.00 0.00 C ATOM 0 H PHE A 38 5.868 12.567 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 38 7.815 10.457 -1.221 1.00 0.00 H new ATOM 0 HB2 PHE A 38 5.413 11.032 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.460 9.626 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.746 11.331 -1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 38 6.022 7.756 -1.533 1.00 0.00 H new ATOM 0 HE1 PHE A 38 2.157 10.148 0.346 1.00 0.00 H new ATOM 0 HE2 PHE A 38 4.432 6.569 -0.085 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.499 7.765 0.864 1.00 0.00 H new ATOM 557 N GLU A 39 8.395 11.758 -3.442 1.00 0.00 N ATOM 558 CA GLU A 39 9.040 12.672 -4.377 1.00 0.00 C ATOM 559 C GLU A 39 8.500 12.477 -5.790 1.00 0.00 C ATOM 560 O GLU A 39 7.946 11.427 -6.115 1.00 0.00 O ATOM 561 CB GLU A 39 10.556 12.463 -4.365 1.00 0.00 C ATOM 562 CG GLU A 39 11.284 13.337 -3.358 1.00 0.00 C ATOM 563 CD GLU A 39 12.557 12.696 -2.841 1.00 0.00 C ATOM 564 OE1 GLU A 39 12.471 11.598 -2.251 1.00 0.00 O ATOM 565 OE2 GLU A 39 13.638 13.292 -3.026 1.00 0.00 O ATOM 0 H GLU A 39 8.576 10.771 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 39 8.818 13.691 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.768 11.417 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.950 12.666 -5.361 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.526 14.294 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.621 13.547 -2.519 1.00 0.00 H new ATOM 572 N ASP A 40 8.664 13.497 -6.626 1.00 0.00 N ATOM 573 CA ASP A 40 8.193 13.438 -8.005 1.00 0.00 C ATOM 574 C ASP A 40 8.907 12.333 -8.777 1.00 0.00 C ATOM 575 O ASP A 40 8.335 11.725 -9.680 1.00 0.00 O ATOM 576 CB ASP A 40 8.412 14.784 -8.698 1.00 0.00 C ATOM 577 CG ASP A 40 7.375 15.058 -9.770 1.00 0.00 C ATOM 578 OD1 ASP A 40 7.098 14.144 -10.574 1.00 0.00 O ATOM 579 OD2 ASP A 40 6.842 16.187 -9.806 1.00 0.00 O ATOM 0 H ASP A 40 9.119 14.374 -6.373 1.00 0.00 H new ATOM 0 HA ASP A 40 7.126 13.214 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.382 15.581 -7.955 1.00 0.00 H new ATOM 0 HB3 ASP A 40 9.406 14.802 -9.145 1.00 0.00 H new ATOM 584 N GLU A 41 10.161 12.080 -8.414 1.00 0.00 N ATOM 585 CA GLU A 41 10.953 11.049 -9.074 1.00 0.00 C ATOM 586 C GLU A 41 11.848 10.325 -8.072 1.00 0.00 C ATOM 587 O GLU A 41 12.549 10.955 -7.282 1.00 0.00 O ATOM 588 CB GLU A 41 11.806 11.663 -10.186 1.00 0.00 C ATOM 589 CG GLU A 41 12.583 12.893 -9.747 1.00 0.00 C ATOM 590 CD GLU A 41 13.084 13.715 -10.919 1.00 0.00 C ATOM 591 OE1 GLU A 41 12.343 14.610 -11.375 1.00 0.00 O ATOM 592 OE2 GLU A 41 14.217 13.463 -11.380 1.00 0.00 O ATOM 0 H GLU A 41 10.649 12.574 -7.667 1.00 0.00 H new ATOM 0 HA GLU A 41 10.266 10.324 -9.511 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.507 10.912 -10.552 1.00 0.00 H new ATOM 0 HB3 GLU A 41 11.160 11.931 -11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 41 11.946 13.515 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.431 12.584 -9.136 1.00 0.00 H new ATOM 599 N GLY A 42 11.818 8.996 -8.112 1.00 0.00 N ATOM 600 CA GLY A 42 12.629 8.208 -7.202 1.00 0.00 C ATOM 601 C GLY A 42 11.867 7.039 -6.610 1.00 0.00 C ATOM 602 O GLY A 42 10.668 6.890 -6.843 1.00 0.00 O ATOM 0 H GLY A 42 11.247 8.451 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.506 7.835 -7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.991 8.847 -6.397 1.00 0.00 H new ATOM 606 N ARG A 43 12.565 6.208 -5.844 1.00 0.00 N ATOM 607 CA ARG A 43 11.947 5.044 -5.219 1.00 0.00 C ATOM 608 C ARG A 43 10.921 5.470 -4.173 1.00 0.00 C ATOM 609 O ARG A 43 10.025 4.703 -3.820 1.00 0.00 O ATOM 610 CB ARG A 43 13.014 4.159 -4.572 1.00 0.00 C ATOM 611 CG ARG A 43 13.834 4.872 -3.509 1.00 0.00 C ATOM 612 CD ARG A 43 14.789 3.918 -2.808 1.00 0.00 C ATOM 613 NE ARG A 43 16.076 3.832 -3.492 1.00 0.00 N ATOM 614 CZ ARG A 43 17.023 4.758 -3.395 1.00 0.00 C ATOM 615 NH1 ARG A 43 16.828 5.835 -2.646 1.00 0.00 N ATOM 616 NH2 ARG A 43 18.169 4.608 -4.048 1.00 0.00 N ATOM 0 H ARG A 43 13.558 6.318 -5.641 1.00 0.00 H new ATOM 0 HA ARG A 43 11.435 4.475 -5.995 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.531 3.290 -4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.684 3.787 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.400 5.683 -3.968 1.00 0.00 H new ATOM 0 HG3 ARG A 43 13.166 5.324 -2.776 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.945 4.250 -1.782 1.00 0.00 H new ATOM 0 HD3 ARG A 43 14.339 2.927 -2.757 1.00 0.00 H new ATOM 0 HE ARG A 43 16.258 3.016 -4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.949 5.954 -2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 43 17.557 6.545 -2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 43 18.323 3.781 -4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.896 5.320 -3.973 1.00 0.00 H new ATOM 630 N TRP A 44 11.059 6.695 -3.681 1.00 0.00 N ATOM 631 CA TRP A 44 10.144 7.223 -2.675 1.00 0.00 C ATOM 632 C TRP A 44 9.052 8.067 -3.321 1.00 0.00 C ATOM 633 O TRP A 44 8.683 9.122 -2.805 1.00 0.00 O ATOM 634 CB TRP A 44 10.910 8.057 -1.647 1.00 0.00 C ATOM 635 CG TRP A 44 12.145 7.380 -1.133 1.00 0.00 C ATOM 636 CD1 TRP A 44 13.430 7.832 -1.235 1.00 0.00 C ATOM 637 CD2 TRP A 44 12.210 6.130 -0.438 1.00 0.00 C ATOM 638 NE1 TRP A 44 14.290 6.937 -0.646 1.00 0.00 N ATOM 639 CE2 TRP A 44 13.567 5.885 -0.149 1.00 0.00 C ATOM 640 CE3 TRP A 44 11.255 5.195 -0.031 1.00 0.00 C ATOM 641 CZ2 TRP A 44 13.989 4.743 0.527 1.00 0.00 C ATOM 642 CZ3 TRP A 44 11.676 4.062 0.639 1.00 0.00 C ATOM 643 CH2 TRP A 44 13.033 3.844 0.914 1.00 0.00 C ATOM 0 H TRP A 44 11.796 7.342 -3.962 1.00 0.00 H new ATOM 0 HA TRP A 44 9.673 6.380 -2.170 1.00 0.00 H new ATOM 0 HB2 TRP A 44 11.188 9.010 -2.097 1.00 0.00 H new ATOM 0 HB3 TRP A 44 10.251 8.281 -0.808 1.00 0.00 H new ATOM 0 HD1 TRP A 44 13.726 8.756 -1.709 1.00 0.00 H new ATOM 0 HE1 TRP A 44 15.303 7.039 -0.588 1.00 0.00 H new ATOM 0 HE3 TRP A 44 10.207 5.355 -0.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 15.034 4.573 0.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 10.946 3.332 0.956 1.00 0.00 H new ATOM 0 HH2 TRP A 44 13.330 2.949 1.441 1.00 0.00 H new ATOM 654 N ARG A 45 8.538 7.597 -4.453 1.00 0.00 N ATOM 655 CA ARG A 45 7.488 8.310 -5.170 1.00 0.00 C ATOM 656 C ARG A 45 6.109 7.793 -4.769 1.00 0.00 C ATOM 657 O ARG A 45 5.941 6.611 -4.466 1.00 0.00 O ATOM 658 CB ARG A 45 7.681 8.162 -6.680 1.00 0.00 C ATOM 659 CG ARG A 45 7.589 6.725 -7.168 1.00 0.00 C ATOM 660 CD ARG A 45 7.671 6.645 -8.684 1.00 0.00 C ATOM 661 NE ARG A 45 6.365 6.821 -9.313 1.00 0.00 N ATOM 662 CZ ARG A 45 5.864 8.005 -9.647 1.00 0.00 C ATOM 663 NH1 ARG A 45 6.556 9.112 -9.413 1.00 0.00 N ATOM 664 NH2 ARG A 45 4.668 8.084 -10.215 1.00 0.00 N ATOM 0 H ARG A 45 8.832 6.725 -4.893 1.00 0.00 H new ATOM 0 HA ARG A 45 7.553 9.365 -4.904 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.929 8.760 -7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 45 8.654 8.569 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 45 8.395 6.138 -6.728 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.651 6.284 -6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.356 7.410 -9.051 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.086 5.680 -8.974 1.00 0.00 H new ATOM 0 HE ARG A 45 5.807 5.989 -9.506 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.476 9.056 -8.975 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.169 10.020 -9.671 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.132 7.235 -10.396 1.00 0.00 H new ATOM 0 HH22 ARG A 45 4.284 8.994 -10.471 1.00 0.00 H new ATOM 678 N LEU A 46 5.126 8.686 -4.770 1.00 0.00 N ATOM 679 CA LEU A 46 3.761 8.322 -4.406 1.00 0.00 C ATOM 680 C LEU A 46 3.075 7.575 -5.546 1.00 0.00 C ATOM 681 O LEU A 46 2.748 8.162 -6.578 1.00 0.00 O ATOM 682 CB LEU A 46 2.957 9.572 -4.044 1.00 0.00 C ATOM 683 CG LEU A 46 1.612 9.330 -3.359 1.00 0.00 C ATOM 684 CD1 LEU A 46 1.147 10.584 -2.636 1.00 0.00 C ATOM 685 CD2 LEU A 46 0.570 8.881 -4.374 1.00 0.00 C ATOM 0 H LEU A 46 5.248 9.668 -5.019 1.00 0.00 H new ATOM 0 HA LEU A 46 3.806 7.663 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.568 10.196 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.780 10.143 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 46 1.739 8.537 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.188 10.392 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.882 10.863 -1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.037 11.398 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.381 8.713 -3.869 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.446 9.652 -5.134 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.898 7.955 -4.847 1.00 0.00 H new ATOM 697 N ILE A 47 2.858 6.279 -5.351 1.00 0.00 N ATOM 698 CA ILE A 47 2.208 5.453 -6.361 1.00 0.00 C ATOM 699 C ILE A 47 0.753 5.180 -5.994 1.00 0.00 C ATOM 700 O ILE A 47 0.465 4.552 -4.974 1.00 0.00 O ATOM 701 CB ILE A 47 2.939 4.111 -6.547 1.00 0.00 C ATOM 702 CG1 ILE A 47 4.379 4.349 -7.004 1.00 0.00 C ATOM 703 CG2 ILE A 47 2.197 3.238 -7.548 1.00 0.00 C ATOM 704 CD1 ILE A 47 5.094 3.087 -7.433 1.00 0.00 C ATOM 0 H ILE A 47 3.123 5.778 -4.503 1.00 0.00 H new ATOM 0 HA ILE A 47 2.246 6.010 -7.297 1.00 0.00 H new ATOM 0 HB ILE A 47 2.963 3.591 -5.589 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.376 5.055 -7.834 1.00 0.00 H new ATOM 0 HG13 ILE A 47 4.937 4.815 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.726 2.293 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.188 3.045 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.145 3.750 -8.509 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.110 3.332 -7.744 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.129 2.387 -6.598 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.559 2.631 -8.266 1.00 0.00 H new ATOM 716 N LEU A 48 -0.162 5.655 -6.832 1.00 0.00 N ATOM 717 CA LEU A 48 -1.589 5.460 -6.598 1.00 0.00 C ATOM 718 C LEU A 48 -2.111 4.262 -7.384 1.00 0.00 C ATOM 719 O LEU A 48 -1.716 4.035 -8.528 1.00 0.00 O ATOM 720 CB LEU A 48 -2.366 6.719 -6.989 1.00 0.00 C ATOM 721 CG LEU A 48 -2.156 7.941 -6.095 1.00 0.00 C ATOM 722 CD1 LEU A 48 -2.699 9.193 -6.766 1.00 0.00 C ATOM 723 CD2 LEU A 48 -2.817 7.731 -4.740 1.00 0.00 C ATOM 0 H LEU A 48 0.059 6.178 -7.680 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.735 5.265 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.092 6.989 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.429 6.478 -6.997 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.085 8.073 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.541 10.053 -6.115 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.180 9.353 -7.711 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.766 9.072 -6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.657 8.611 -4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.887 7.573 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.381 6.858 -4.254 1.00 0.00 H new ATOM 735 N CYS A 49 -3.004 3.498 -6.763 1.00 0.00 N ATOM 736 CA CYS A 49 -3.583 2.323 -7.404 1.00 0.00 C ATOM 737 C CYS A 49 -3.992 2.634 -8.841 1.00 0.00 C ATOM 738 O CYS A 49 -4.155 3.795 -9.214 1.00 0.00 O ATOM 739 CB CYS A 49 -4.796 1.830 -6.612 1.00 0.00 C ATOM 740 SG CYS A 49 -5.590 0.349 -7.314 1.00 0.00 S ATOM 0 H CYS A 49 -3.342 3.672 -5.817 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.826 1.539 -7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -4.485 1.613 -5.590 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.532 2.632 -6.558 1.00 0.00 H new ATOM 745 N ALA A 50 -4.156 1.587 -9.643 1.00 0.00 N ATOM 746 CA ALA A 50 -4.548 1.747 -11.038 1.00 0.00 C ATOM 747 C ALA A 50 -5.965 1.232 -11.272 1.00 0.00 C ATOM 748 O ALA A 50 -6.771 1.883 -11.938 1.00 0.00 O ATOM 749 CB ALA A 50 -3.565 1.026 -11.948 1.00 0.00 C ATOM 0 H ALA A 50 -4.023 0.619 -9.351 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.532 2.811 -11.275 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.870 1.154 -12.987 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.567 1.443 -11.809 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.552 -0.036 -11.702 1.00 0.00 H new ATOM 755 N THR A 51 -6.262 0.060 -10.721 1.00 0.00 N ATOM 756 CA THR A 51 -7.581 -0.543 -10.872 1.00 0.00 C ATOM 757 C THR A 51 -8.674 0.395 -10.373 1.00 0.00 C ATOM 758 O THR A 51 -9.725 0.529 -11.000 1.00 0.00 O ATOM 759 CB THR A 51 -7.679 -1.878 -10.111 1.00 0.00 C ATOM 760 OG1 THR A 51 -6.740 -2.817 -10.646 1.00 0.00 O ATOM 761 CG2 THR A 51 -9.085 -2.451 -10.202 1.00 0.00 C ATOM 0 H THR A 51 -5.607 -0.491 -10.166 1.00 0.00 H new ATOM 0 HA THR A 51 -7.724 -0.729 -11.936 1.00 0.00 H new ATOM 0 HB THR A 51 -7.447 -1.691 -9.062 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.807 -3.663 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.130 -3.394 -9.657 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.794 -1.747 -9.767 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.341 -2.624 -11.247 1.00 0.00 H new ATOM 769 N CYS A 52 -8.420 1.043 -9.242 1.00 0.00 N ATOM 770 CA CYS A 52 -9.382 1.970 -8.658 1.00 0.00 C ATOM 771 C CYS A 52 -8.780 3.365 -8.520 1.00 0.00 C ATOM 772 O CYS A 52 -9.459 4.369 -8.729 1.00 0.00 O ATOM 773 CB CYS A 52 -9.843 1.464 -7.289 1.00 0.00 C ATOM 774 SG CYS A 52 -8.569 1.564 -5.992 1.00 0.00 S ATOM 0 H CYS A 52 -7.555 0.943 -8.711 1.00 0.00 H new ATOM 0 HA CYS A 52 -10.242 2.029 -9.325 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -10.713 2.041 -6.974 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -10.166 0.428 -7.387 1.00 0.00 H new ATOM 779 N GLY A 53 -7.499 3.418 -8.166 1.00 0.00 N ATOM 780 CA GLY A 53 -6.826 4.694 -8.007 1.00 0.00 C ATOM 781 C GLY A 53 -7.326 5.466 -6.802 1.00 0.00 C ATOM 782 O GLY A 53 -7.832 6.580 -6.936 1.00 0.00 O ATOM 0 H GLY A 53 -6.916 2.601 -7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.754 4.526 -7.908 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.973 5.293 -8.905 1.00 0.00 H new ATOM 786 N SER A 54 -7.186 4.873 -5.621 1.00 0.00 N ATOM 787 CA SER A 54 -7.632 5.510 -4.387 1.00 0.00 C ATOM 788 C SER A 54 -6.523 5.503 -3.340 1.00 0.00 C ATOM 789 O SER A 54 -6.287 6.504 -2.662 1.00 0.00 O ATOM 790 CB SER A 54 -8.870 4.798 -3.840 1.00 0.00 C ATOM 791 OG SER A 54 -9.943 4.857 -4.763 1.00 0.00 O ATOM 0 H SER A 54 -6.767 3.952 -5.492 1.00 0.00 H new ATOM 0 HA SER A 54 -7.887 6.545 -4.613 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.629 3.757 -3.624 1.00 0.00 H new ATOM 0 HB3 SER A 54 -9.171 5.257 -2.898 1.00 0.00 H new ATOM 0 HG SER A 54 -10.721 4.393 -4.390 1.00 0.00 H new ATOM 797 N HIS A 55 -5.843 4.367 -3.214 1.00 0.00 N ATOM 798 CA HIS A 55 -4.758 4.229 -2.250 1.00 0.00 C ATOM 799 C HIS A 55 -3.495 4.926 -2.749 1.00 0.00 C ATOM 800 O HIS A 55 -3.379 5.249 -3.931 1.00 0.00 O ATOM 801 CB HIS A 55 -4.468 2.751 -1.985 1.00 0.00 C ATOM 802 CG HIS A 55 -5.442 2.109 -1.047 1.00 0.00 C ATOM 803 ND1 HIS A 55 -5.082 1.612 0.188 1.00 0.00 N ATOM 804 CD2 HIS A 55 -6.772 1.884 -1.168 1.00 0.00 C ATOM 805 CE1 HIS A 55 -6.148 1.109 0.785 1.00 0.00 C ATOM 806 NE2 HIS A 55 -7.186 1.262 -0.016 1.00 0.00 N ATOM 0 H HIS A 55 -6.025 3.530 -3.767 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.070 4.703 -1.319 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.479 2.212 -2.932 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.463 2.654 -1.574 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -7.392 2.145 -2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -6.167 0.650 1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -8.141 0.966 0.188 1.00 0.00 H new ATOM 815 N GLY A 56 -2.552 5.154 -1.841 1.00 0.00 N ATOM 816 CA GLY A 56 -1.312 5.812 -2.208 1.00 0.00 C ATOM 817 C GLY A 56 -0.176 5.479 -1.261 1.00 0.00 C ATOM 818 O GLY A 56 -0.247 5.773 -0.067 1.00 0.00 O ATOM 0 H GLY A 56 -2.624 4.895 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.035 5.519 -3.220 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.467 6.891 -2.220 1.00 0.00 H new ATOM 822 N THR A 57 0.875 4.863 -1.792 1.00 0.00 N ATOM 823 CA THR A 57 2.029 4.487 -0.985 1.00 0.00 C ATOM 824 C THR A 57 3.317 4.566 -1.798 1.00 0.00 C ATOM 825 O THR A 57 3.284 4.645 -3.026 1.00 0.00 O ATOM 826 CB THR A 57 1.879 3.063 -0.419 1.00 0.00 C ATOM 827 OG1 THR A 57 2.686 2.914 0.755 1.00 0.00 O ATOM 828 CG2 THR A 57 2.284 2.023 -1.453 1.00 0.00 C ATOM 0 H THR A 57 0.951 4.614 -2.778 1.00 0.00 H new ATOM 0 HA THR A 57 2.080 5.195 -0.158 1.00 0.00 H new ATOM 0 HB THR A 57 0.831 2.908 -0.162 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.578 2.596 0.501 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.169 1.025 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.649 2.119 -2.334 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.325 2.179 -1.738 1.00 0.00 H new ATOM 836 N HIS A 58 4.451 4.542 -1.104 1.00 0.00 N ATOM 837 CA HIS A 58 5.751 4.609 -1.763 1.00 0.00 C ATOM 838 C HIS A 58 5.950 3.417 -2.694 1.00 0.00 C ATOM 839 O HIS A 58 5.138 2.493 -2.717 1.00 0.00 O ATOM 840 CB HIS A 58 6.871 4.652 -0.723 1.00 0.00 C ATOM 841 CG HIS A 58 6.581 5.560 0.432 1.00 0.00 C ATOM 842 ND1 HIS A 58 5.724 5.223 1.459 1.00 0.00 N ATOM 843 CD2 HIS A 58 7.043 6.799 0.721 1.00 0.00 C ATOM 844 CE1 HIS A 58 5.669 6.216 2.327 1.00 0.00 C ATOM 845 NE2 HIS A 58 6.461 7.185 1.904 1.00 0.00 N ATOM 0 H HIS A 58 4.496 4.477 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 58 5.783 5.521 -2.358 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.046 3.644 -0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.793 4.976 -1.207 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.739 7.377 0.131 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.077 6.233 3.230 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.615 8.075 2.378 1.00 0.00 H new ATOM 853 N ARG A 59 7.036 3.446 -3.460 1.00 0.00 N ATOM 854 CA ARG A 59 7.341 2.369 -4.394 1.00 0.00 C ATOM 855 C ARG A 59 7.980 1.187 -3.672 1.00 0.00 C ATOM 856 O ARG A 59 7.390 0.110 -3.580 1.00 0.00 O ATOM 857 CB ARG A 59 8.274 2.872 -5.497 1.00 0.00 C ATOM 858 CG ARG A 59 8.320 1.965 -6.716 1.00 0.00 C ATOM 859 CD ARG A 59 9.339 0.849 -6.543 1.00 0.00 C ATOM 860 NE ARG A 59 10.710 1.341 -6.643 1.00 0.00 N ATOM 861 CZ ARG A 59 11.780 0.582 -6.431 1.00 0.00 C ATOM 862 NH1 ARG A 59 11.637 -0.696 -6.110 1.00 0.00 N ATOM 863 NH2 ARG A 59 12.996 1.102 -6.540 1.00 0.00 N ATOM 0 H ARG A 59 7.719 4.204 -3.452 1.00 0.00 H new ATOM 0 HA ARG A 59 6.405 2.035 -4.843 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.954 3.867 -5.807 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.281 2.973 -5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.333 1.535 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.570 2.553 -7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.194 0.373 -5.573 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.172 0.084 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 59 10.854 2.320 -6.889 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.704 -1.099 -6.025 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.460 -1.276 -5.948 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.110 2.085 -6.787 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.817 0.519 -6.377 1.00 0.00 H new ATOM 877 N ASP A 60 9.188 1.396 -3.161 1.00 0.00 N ATOM 878 CA ASP A 60 9.908 0.348 -2.446 1.00 0.00 C ATOM 879 C ASP A 60 9.108 -0.134 -1.239 1.00 0.00 C ATOM 880 O ASP A 60 9.220 -1.289 -0.828 1.00 0.00 O ATOM 881 CB ASP A 60 11.278 0.857 -1.995 1.00 0.00 C ATOM 882 CG ASP A 60 11.234 2.296 -1.520 1.00 0.00 C ATOM 883 OD1 ASP A 60 10.153 2.743 -1.082 1.00 0.00 O ATOM 884 OD2 ASP A 60 12.280 2.974 -1.587 1.00 0.00 O ATOM 0 H ASP A 60 9.690 2.282 -3.228 1.00 0.00 H new ATOM 0 HA ASP A 60 10.047 -0.492 -3.126 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.651 0.223 -1.190 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.984 0.772 -2.821 1.00 0.00 H new ATOM 889 N CYS A 61 8.302 0.759 -0.675 1.00 0.00 N ATOM 890 CA CYS A 61 7.485 0.427 0.486 1.00 0.00 C ATOM 891 C CYS A 61 6.487 -0.678 0.150 1.00 0.00 C ATOM 892 O CYS A 61 6.195 -1.538 0.980 1.00 0.00 O ATOM 893 CB CYS A 61 6.740 1.668 0.983 1.00 0.00 C ATOM 894 SG CYS A 61 5.777 1.396 2.505 1.00 0.00 S ATOM 0 H CYS A 61 8.197 1.719 -1.003 1.00 0.00 H new ATOM 0 HA CYS A 61 8.147 0.068 1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.462 2.465 1.160 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.068 2.014 0.198 1.00 0.00 H new ATOM 899 N SER A 62 5.968 -0.646 -1.073 1.00 0.00 N ATOM 900 CA SER A 62 5.000 -1.642 -1.519 1.00 0.00 C ATOM 901 C SER A 62 5.706 -2.894 -2.033 1.00 0.00 C ATOM 902 O SER A 62 5.141 -3.663 -2.810 1.00 0.00 O ATOM 903 CB SER A 62 4.106 -1.061 -2.615 1.00 0.00 C ATOM 904 OG SER A 62 2.943 -0.467 -2.063 1.00 0.00 O ATOM 0 H SER A 62 6.201 0.058 -1.773 1.00 0.00 H new ATOM 0 HA SER A 62 4.382 -1.919 -0.665 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.662 -0.317 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.820 -1.849 -3.311 1.00 0.00 H new ATOM 0 HG SER A 62 2.316 -0.245 -2.783 1.00 0.00 H new ATOM 910 N SER A 63 6.945 -3.090 -1.592 1.00 0.00 N ATOM 911 CA SER A 63 7.730 -4.245 -2.010 1.00 0.00 C ATOM 912 C SER A 63 7.627 -4.456 -3.517 1.00 0.00 C ATOM 913 O SER A 63 7.599 -5.590 -3.997 1.00 0.00 O ATOM 914 CB SER A 63 7.260 -5.501 -1.274 1.00 0.00 C ATOM 915 OG SER A 63 6.235 -6.162 -1.997 1.00 0.00 O ATOM 0 H SER A 63 7.426 -2.464 -0.946 1.00 0.00 H new ATOM 0 HA SER A 63 8.773 -4.054 -1.758 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.102 -6.178 -1.129 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.894 -5.231 -0.283 1.00 0.00 H new ATOM 0 HG SER A 63 6.587 -6.466 -2.860 1.00 0.00 H new ATOM 921 N LEU A 64 7.571 -3.356 -4.259 1.00 0.00 N ATOM 922 CA LEU A 64 7.471 -3.418 -5.713 1.00 0.00 C ATOM 923 C LEU A 64 8.854 -3.487 -6.352 1.00 0.00 C ATOM 924 O LEU A 64 9.867 -3.566 -5.656 1.00 0.00 O ATOM 925 CB LEU A 64 6.712 -2.201 -6.245 1.00 0.00 C ATOM 926 CG LEU A 64 5.241 -2.097 -5.839 1.00 0.00 C ATOM 927 CD1 LEU A 64 4.706 -0.703 -6.123 1.00 0.00 C ATOM 928 CD2 LEU A 64 4.412 -3.147 -6.565 1.00 0.00 C ATOM 0 H LEU A 64 7.593 -2.410 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 64 6.924 -4.323 -5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.226 -1.301 -5.907 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.768 -2.210 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 64 5.166 -2.281 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.658 -0.648 -5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.281 0.030 -5.557 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.794 -0.489 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.368 -3.058 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.494 -2.995 -7.641 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.780 -4.141 -6.310 1.00 0.00 H new ATOM 940 N ARG A 65 8.890 -3.456 -7.680 1.00 0.00 N ATOM 941 CA ARG A 65 10.149 -3.514 -8.413 1.00 0.00 C ATOM 942 C ARG A 65 10.548 -2.131 -8.919 1.00 0.00 C ATOM 943 O ARG A 65 9.734 -1.209 -8.989 1.00 0.00 O ATOM 944 CB ARG A 65 10.035 -4.486 -9.588 1.00 0.00 C ATOM 945 CG ARG A 65 10.483 -5.900 -9.255 1.00 0.00 C ATOM 946 CD ARG A 65 9.646 -6.500 -8.136 1.00 0.00 C ATOM 947 NE ARG A 65 8.311 -6.877 -8.594 1.00 0.00 N ATOM 948 CZ ARG A 65 7.582 -7.831 -8.025 1.00 0.00 C ATOM 949 NH1 ARG A 65 8.056 -8.500 -6.983 1.00 0.00 N ATOM 950 NH2 ARG A 65 6.376 -8.117 -8.499 1.00 0.00 N ATOM 0 H ARG A 65 8.061 -3.391 -8.271 1.00 0.00 H new ATOM 0 HA ARG A 65 10.922 -3.869 -7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.000 -4.513 -9.927 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.633 -4.111 -10.418 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.406 -6.526 -10.144 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.533 -5.891 -8.961 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.153 -7.377 -7.734 1.00 0.00 H new ATOM 0 HD3 ARG A 65 9.560 -5.781 -7.321 1.00 0.00 H new ATOM 0 HE ARG A 65 7.917 -6.381 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.983 -8.283 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG A 65 7.494 -9.232 -6.548 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.008 -7.604 -9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.817 -8.849 -8.062 1.00 0.00 H new ATOM 964 N PRO A 66 11.830 -1.980 -9.281 1.00 0.00 N ATOM 965 CA PRO A 66 12.366 -0.713 -9.788 1.00 0.00 C ATOM 966 C PRO A 66 11.832 -0.370 -11.174 1.00 0.00 C ATOM 967 O PRO A 66 11.677 0.800 -11.518 1.00 0.00 O ATOM 968 CB PRO A 66 13.875 -0.963 -9.842 1.00 0.00 C ATOM 969 CG PRO A 66 14.010 -2.439 -9.983 1.00 0.00 C ATOM 970 CD PRO A 66 12.856 -3.035 -9.225 1.00 0.00 C ATOM 0 HA PRO A 66 12.082 0.131 -9.159 1.00 0.00 H new ATOM 0 HB2 PRO A 66 14.333 -0.442 -10.683 1.00 0.00 H new ATOM 0 HB3 PRO A 66 14.368 -0.605 -8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 66 13.982 -2.735 -11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 66 14.962 -2.784 -9.579 1.00 0.00 H new ATOM 0 HD2 PRO A 66 12.507 -3.959 -9.685 1.00 0.00 H new ATOM 0 HD3 PRO A 66 13.131 -3.274 -8.198 1.00 0.00 H new ATOM 978 N ASN A 67 11.553 -1.400 -11.967 1.00 0.00 N ATOM 979 CA ASN A 67 11.036 -1.208 -13.317 1.00 0.00 C ATOM 980 C ASN A 67 9.589 -1.682 -13.418 1.00 0.00 C ATOM 981 O ASN A 67 9.201 -2.318 -14.398 1.00 0.00 O ATOM 982 CB ASN A 67 11.903 -1.959 -14.329 1.00 0.00 C ATOM 983 CG ASN A 67 11.905 -1.296 -15.693 1.00 0.00 C ATOM 984 OD1 ASN A 67 10.979 -0.564 -16.041 1.00 0.00 O ATOM 985 ND2 ASN A 67 12.949 -1.552 -16.473 1.00 0.00 N ATOM 0 H ASN A 67 11.676 -2.376 -11.698 1.00 0.00 H new ATOM 0 HA ASN A 67 11.067 -0.142 -13.543 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.925 -2.018 -13.955 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.540 -2.982 -14.426 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.006 -1.135 -17.402 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.694 -2.165 -16.143 1.00 0.00 H new ATOM 992 N SER A 68 8.796 -1.367 -12.399 1.00 0.00 N ATOM 993 CA SER A 68 7.393 -1.763 -12.372 1.00 0.00 C ATOM 994 C SER A 68 6.571 -0.919 -13.340 1.00 0.00 C ATOM 995 O SER A 68 7.073 0.040 -13.928 1.00 0.00 O ATOM 996 CB SER A 68 6.831 -1.628 -10.955 1.00 0.00 C ATOM 997 OG SER A 68 5.527 -2.176 -10.870 1.00 0.00 O ATOM 0 H SER A 68 9.101 -0.839 -11.581 1.00 0.00 H new ATOM 0 HA SER A 68 7.329 -2.806 -12.683 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.489 -2.135 -10.249 1.00 0.00 H new ATOM 0 HB3 SER A 68 6.807 -0.577 -10.669 1.00 0.00 H new ATOM 0 HG SER A 68 5.190 -2.079 -9.955 1.00 0.00 H new ATOM 1003 N LYS A 69 5.303 -1.282 -13.503 1.00 0.00 N ATOM 1004 CA LYS A 69 4.409 -0.559 -14.399 1.00 0.00 C ATOM 1005 C LYS A 69 3.225 0.024 -13.633 1.00 0.00 C ATOM 1006 O LYS A 69 3.024 1.238 -13.610 1.00 0.00 O ATOM 1007 CB LYS A 69 3.905 -1.486 -15.507 1.00 0.00 C ATOM 1008 CG LYS A 69 4.923 -1.726 -16.609 1.00 0.00 C ATOM 1009 CD LYS A 69 4.350 -2.589 -17.720 1.00 0.00 C ATOM 1010 CE LYS A 69 5.068 -2.350 -19.039 1.00 0.00 C ATOM 1011 NZ LYS A 69 4.554 -1.141 -19.740 1.00 0.00 N ATOM 0 H LYS A 69 4.871 -2.073 -13.026 1.00 0.00 H new ATOM 0 HA LYS A 69 4.970 0.262 -14.846 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.624 -2.444 -15.068 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.003 -1.059 -15.944 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.247 -0.770 -17.020 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.806 -2.209 -16.191 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.433 -3.640 -17.445 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.288 -2.373 -17.838 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.136 -2.236 -18.855 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.946 -3.222 -19.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.069 -1.013 -20.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.540 -1.260 -19.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.693 -0.305 -19.138 1.00 0.00 H new ATOM 1025 N LYS A 70 2.445 -0.849 -13.004 1.00 0.00 N ATOM 1026 CA LYS A 70 1.283 -0.422 -12.234 1.00 0.00 C ATOM 1027 C LYS A 70 1.128 -1.264 -10.972 1.00 0.00 C ATOM 1028 O LYS A 70 1.457 -2.450 -10.961 1.00 0.00 O ATOM 1029 CB LYS A 70 0.016 -0.522 -13.086 1.00 0.00 C ATOM 1030 CG LYS A 70 -0.271 -1.927 -13.587 1.00 0.00 C ATOM 1031 CD LYS A 70 -1.746 -2.119 -13.896 1.00 0.00 C ATOM 1032 CE LYS A 70 -2.512 -2.608 -12.676 1.00 0.00 C ATOM 1033 NZ LYS A 70 -2.466 -4.091 -12.549 1.00 0.00 N ATOM 0 H LYS A 70 2.597 -1.858 -13.013 1.00 0.00 H new ATOM 0 HA LYS A 70 1.434 0.617 -11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.834 -0.174 -12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.109 0.148 -13.941 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.318 -2.122 -14.483 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.042 -2.653 -12.836 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.172 -1.177 -14.241 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.858 -2.836 -14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.093 -2.154 -11.778 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.550 -2.281 -12.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.422 -4.453 -12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.108 -4.504 -13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.835 -4.353 -11.765 1.00 0.00 H new ATOM 1047 N TRP A 71 0.623 -0.643 -9.911 1.00 0.00 N ATOM 1048 CA TRP A 71 0.423 -1.337 -8.644 1.00 0.00 C ATOM 1049 C TRP A 71 -1.036 -1.261 -8.207 1.00 0.00 C ATOM 1050 O TRP A 71 -1.711 -0.260 -8.441 1.00 0.00 O ATOM 1051 CB TRP A 71 1.324 -0.738 -7.563 1.00 0.00 C ATOM 1052 CG TRP A 71 0.772 -0.890 -6.178 1.00 0.00 C ATOM 1053 CD1 TRP A 71 0.878 -1.985 -5.369 1.00 0.00 C ATOM 1054 CD2 TRP A 71 0.026 0.085 -5.441 1.00 0.00 C ATOM 1055 NE1 TRP A 71 0.243 -1.749 -4.173 1.00 0.00 N ATOM 1056 CE2 TRP A 71 -0.287 -0.486 -4.192 1.00 0.00 C ATOM 1057 CE3 TRP A 71 -0.406 1.386 -5.714 1.00 0.00 C ATOM 1058 CZ2 TRP A 71 -1.012 0.199 -3.222 1.00 0.00 C ATOM 1059 CZ3 TRP A 71 -1.126 2.065 -4.750 1.00 0.00 C ATOM 1060 CH2 TRP A 71 -1.423 1.471 -3.516 1.00 0.00 C ATOM 0 H TRP A 71 0.345 0.338 -9.903 1.00 0.00 H new ATOM 0 HA TRP A 71 0.686 -2.385 -8.786 1.00 0.00 H new ATOM 0 HB2 TRP A 71 2.303 -1.215 -7.611 1.00 0.00 H new ATOM 0 HB3 TRP A 71 1.475 0.321 -7.772 1.00 0.00 H new ATOM 0 HD1 TRP A 71 1.386 -2.902 -5.630 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.177 -2.408 -3.397 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -0.181 1.852 -6.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -1.242 -0.257 -2.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.466 3.070 -4.951 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -1.987 2.028 -2.783 1.00 0.00 H new ATOM 1071 N GLU A 72 -1.514 -2.326 -7.570 1.00 0.00 N ATOM 1072 CA GLU A 72 -2.894 -2.378 -7.101 1.00 0.00 C ATOM 1073 C GLU A 72 -2.953 -2.327 -5.577 1.00 0.00 C ATOM 1074 O GLU A 72 -2.037 -2.787 -4.893 1.00 0.00 O ATOM 1075 CB GLU A 72 -3.580 -3.649 -7.607 1.00 0.00 C ATOM 1076 CG GLU A 72 -3.977 -3.584 -9.072 1.00 0.00 C ATOM 1077 CD GLU A 72 -4.034 -4.953 -9.722 1.00 0.00 C ATOM 1078 OE1 GLU A 72 -3.198 -5.811 -9.370 1.00 0.00 O ATOM 1079 OE2 GLU A 72 -4.915 -5.166 -10.581 1.00 0.00 O ATOM 0 H GLU A 72 -0.967 -3.163 -7.367 1.00 0.00 H new ATOM 0 HA GLU A 72 -3.419 -1.508 -7.497 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -2.911 -4.497 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.470 -3.835 -7.006 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.951 -3.103 -9.160 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.264 -2.960 -9.610 1.00 0.00 H new ATOM 1086 N CYS A 73 -4.036 -1.765 -5.051 1.00 0.00 N ATOM 1087 CA CYS A 73 -4.215 -1.652 -3.609 1.00 0.00 C ATOM 1088 C CYS A 73 -4.832 -2.925 -3.036 1.00 0.00 C ATOM 1089 O CYS A 73 -5.220 -3.827 -3.777 1.00 0.00 O ATOM 1090 CB CYS A 73 -5.101 -0.449 -3.276 1.00 0.00 C ATOM 1091 SG CYS A 73 -6.863 -0.693 -3.666 1.00 0.00 S ATOM 0 H CYS A 73 -4.803 -1.381 -5.602 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.234 -1.509 -3.157 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.003 -0.222 -2.214 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.736 0.420 -3.823 1.00 0.00 H new ATOM 1096 N ASN A 74 -4.920 -2.989 -1.711 1.00 0.00 N ATOM 1097 CA ASN A 74 -5.489 -4.151 -1.039 1.00 0.00 C ATOM 1098 C ASN A 74 -6.915 -4.412 -1.516 1.00 0.00 C ATOM 1099 O ASN A 74 -7.211 -5.471 -2.066 1.00 0.00 O ATOM 1100 CB ASN A 74 -5.476 -3.946 0.477 1.00 0.00 C ATOM 1101 CG ASN A 74 -5.645 -5.247 1.238 1.00 0.00 C ATOM 1102 OD1 ASN A 74 -5.497 -6.332 0.676 1.00 0.00 O ATOM 1103 ND2 ASN A 74 -5.956 -5.144 2.525 1.00 0.00 N ATOM 0 H ASN A 74 -4.605 -2.250 -1.082 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.878 -5.019 -1.287 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.537 -3.477 0.769 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.276 -3.259 0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.082 -5.985 3.088 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -6.069 -4.224 2.950 1.00 0.00 H new ATOM 1110 N GLU A 75 -7.793 -3.437 -1.301 1.00 0.00 N ATOM 1111 CA GLU A 75 -9.187 -3.561 -1.709 1.00 0.00 C ATOM 1112 C GLU A 75 -9.303 -4.322 -3.026 1.00 0.00 C ATOM 1113 O GLU A 75 -10.220 -5.121 -3.216 1.00 0.00 O ATOM 1114 CB GLU A 75 -9.826 -2.178 -1.848 1.00 0.00 C ATOM 1115 CG GLU A 75 -11.345 -2.203 -1.818 1.00 0.00 C ATOM 1116 CD GLU A 75 -11.952 -0.813 -1.825 1.00 0.00 C ATOM 1117 OE1 GLU A 75 -12.131 -0.238 -0.732 1.00 0.00 O ATOM 1118 OE2 GLU A 75 -12.247 -0.302 -2.926 1.00 0.00 O ATOM 0 H GLU A 75 -7.563 -2.553 -0.847 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.716 -4.121 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.466 -1.538 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.497 -1.728 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.713 -2.760 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.678 -2.736 -0.928 1.00 0.00 H new ATOM 1125 N CYS A 76 -8.366 -4.068 -3.934 1.00 0.00 N ATOM 1126 CA CYS A 76 -8.361 -4.727 -5.234 1.00 0.00 C ATOM 1127 C CYS A 76 -7.716 -6.107 -5.142 1.00 0.00 C ATOM 1128 O CYS A 76 -8.302 -7.107 -5.557 1.00 0.00 O ATOM 1129 CB CYS A 76 -7.617 -3.871 -6.260 1.00 0.00 C ATOM 1130 SG CYS A 76 -8.462 -2.313 -6.682 1.00 0.00 S ATOM 0 H CYS A 76 -7.600 -3.410 -3.793 1.00 0.00 H new ATOM 0 HA CYS A 76 -9.395 -4.850 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -6.624 -3.640 -5.873 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -7.477 -4.454 -7.170 1.00 0.00 H new ATOM 1135 N LEU A 77 -6.505 -6.152 -4.597 1.00 0.00 N ATOM 1136 CA LEU A 77 -5.779 -7.408 -4.450 1.00 0.00 C ATOM 1137 C LEU A 77 -6.640 -8.457 -3.752 1.00 0.00 C ATOM 1138 O LEU A 77 -7.494 -8.142 -2.923 1.00 0.00 O ATOM 1139 CB LEU A 77 -4.488 -7.185 -3.660 1.00 0.00 C ATOM 1140 CG LEU A 77 -3.377 -6.429 -4.390 1.00 0.00 C ATOM 1141 CD1 LEU A 77 -2.270 -6.041 -3.422 1.00 0.00 C ATOM 1142 CD2 LEU A 77 -2.821 -7.269 -5.530 1.00 0.00 C ATOM 0 H LEU A 77 -6.006 -5.333 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.530 -7.773 -5.446 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.733 -6.640 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.099 -8.157 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.800 -5.517 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.488 -5.504 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.678 -5.401 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.849 -6.940 -2.972 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.032 -6.715 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.414 -8.199 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.619 -7.496 -6.238 1.00 0.00 H new ATOM 1154 N PRO A 78 -6.410 -9.733 -4.093 1.00 0.00 N ATOM 1155 CA PRO A 78 -7.153 -10.854 -3.509 1.00 0.00 C ATOM 1156 C PRO A 78 -6.802 -11.080 -2.042 1.00 0.00 C ATOM 1157 O PRO A 78 -5.780 -11.687 -1.725 1.00 0.00 O ATOM 1158 CB PRO A 78 -6.711 -12.051 -4.354 1.00 0.00 C ATOM 1159 CG PRO A 78 -5.368 -11.671 -4.877 1.00 0.00 C ATOM 1160 CD PRO A 78 -5.408 -10.181 -5.074 1.00 0.00 C ATOM 0 HA PRO A 78 -8.229 -10.680 -3.521 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.660 -12.961 -3.756 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.412 -12.243 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.582 -11.951 -4.175 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -5.155 -12.183 -5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.435 -9.725 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -5.697 -9.918 -6.092 1.00 0.00 H new ATOM 1168 N ALA A 79 -7.658 -10.589 -1.152 1.00 0.00 N ATOM 1169 CA ALA A 79 -7.439 -10.739 0.282 1.00 0.00 C ATOM 1170 C ALA A 79 -8.482 -11.663 0.901 1.00 0.00 C ATOM 1171 O ALA A 79 -9.573 -11.226 1.268 1.00 0.00 O ATOM 1172 CB ALA A 79 -7.463 -9.380 0.965 1.00 0.00 C ATOM 0 H ALA A 79 -8.509 -10.084 -1.398 1.00 0.00 H new ATOM 0 HA ALA A 79 -6.458 -11.190 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.298 -9.508 2.035 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.677 -8.750 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.431 -8.907 0.801 1.00 0.00 H new ATOM 1178 N SER A 80 -8.140 -12.942 1.016 1.00 0.00 N ATOM 1179 CA SER A 80 -9.049 -13.929 1.587 1.00 0.00 C ATOM 1180 C SER A 80 -10.478 -13.691 1.110 1.00 0.00 C ATOM 1181 O SER A 80 -11.430 -13.811 1.881 1.00 0.00 O ATOM 1182 CB SER A 80 -8.994 -13.879 3.116 1.00 0.00 C ATOM 1183 OG SER A 80 -9.416 -12.616 3.600 1.00 0.00 O ATOM 0 H SER A 80 -7.239 -13.319 0.721 1.00 0.00 H new ATOM 0 HA SER A 80 -8.732 -14.916 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.628 -14.662 3.532 1.00 0.00 H new ATOM 0 HB3 SER A 80 -7.977 -14.080 3.453 1.00 0.00 H new ATOM 0 HG SER A 80 -9.373 -12.610 4.579 1.00 0.00 H new ATOM 1189 N GLY A 81 -10.621 -13.354 -0.168 1.00 0.00 N ATOM 1190 CA GLY A 81 -11.936 -13.104 -0.727 1.00 0.00 C ATOM 1191 C GLY A 81 -12.224 -11.625 -0.896 1.00 0.00 C ATOM 1192 O GLY A 81 -11.321 -10.789 -0.871 1.00 0.00 O ATOM 0 H GLY A 81 -9.849 -13.250 -0.826 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.016 -13.599 -1.695 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.693 -13.546 -0.079 1.00 0.00 H new ATOM 1196 N PRO A 82 -13.509 -11.285 -1.073 1.00 0.00 N ATOM 1197 CA PRO A 82 -13.942 -9.896 -1.251 1.00 0.00 C ATOM 1198 C PRO A 82 -13.799 -9.075 0.027 1.00 0.00 C ATOM 1199 O PRO A 82 -14.721 -9.010 0.840 1.00 0.00 O ATOM 1200 CB PRO A 82 -15.417 -10.031 -1.637 1.00 0.00 C ATOM 1201 CG PRO A 82 -15.844 -11.333 -1.052 1.00 0.00 C ATOM 1202 CD PRO A 82 -14.638 -12.229 -1.112 1.00 0.00 C ATOM 0 HA PRO A 82 -13.339 -9.373 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -16.007 -9.206 -1.239 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -15.545 -10.022 -2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -16.185 -11.206 -0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -16.675 -11.759 -1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -14.611 -12.923 -0.272 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -14.628 -12.829 -2.022 1.00 0.00 H new ATOM 1210 N SER A 83 -12.638 -8.451 0.196 1.00 0.00 N ATOM 1211 CA SER A 83 -12.374 -7.637 1.377 1.00 0.00 C ATOM 1212 C SER A 83 -13.195 -6.352 1.347 1.00 0.00 C ATOM 1213 O SER A 83 -13.192 -5.624 0.354 1.00 0.00 O ATOM 1214 CB SER A 83 -10.884 -7.301 1.468 1.00 0.00 C ATOM 1215 OG SER A 83 -10.424 -6.697 0.271 1.00 0.00 O ATOM 0 H SER A 83 -11.866 -8.493 -0.469 1.00 0.00 H new ATOM 0 HA SER A 83 -12.665 -8.212 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.710 -6.629 2.308 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.314 -8.210 1.663 1.00 0.00 H new ATOM 0 HG SER A 83 -11.145 -6.164 -0.125 1.00 0.00 H new ATOM 1221 N SER A 84 -13.899 -6.080 2.441 1.00 0.00 N ATOM 1222 CA SER A 84 -14.729 -4.886 2.540 1.00 0.00 C ATOM 1223 C SER A 84 -13.890 -3.672 2.928 1.00 0.00 C ATOM 1224 O SER A 84 -14.298 -2.860 3.757 1.00 0.00 O ATOM 1225 CB SER A 84 -15.845 -5.097 3.565 1.00 0.00 C ATOM 1226 OG SER A 84 -15.321 -5.543 4.804 1.00 0.00 O ATOM 0 H SER A 84 -13.911 -6.671 3.272 1.00 0.00 H new ATOM 0 HA SER A 84 -15.174 -4.702 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 84 -16.390 -4.164 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 84 -16.559 -5.827 3.185 1.00 0.00 H new ATOM 0 HG SER A 84 -16.054 -5.669 5.443 1.00 0.00 H new ATOM 1232 N GLY A 85 -12.712 -3.556 2.322 1.00 0.00 N ATOM 1233 CA GLY A 85 -11.833 -2.439 2.616 1.00 0.00 C ATOM 1234 C GLY A 85 -10.368 -2.798 2.463 1.00 0.00 C ATOM 1235 O GLY A 85 -10.004 -3.946 2.711 1.00 0.00 O ATOM 0 H GLY A 85 -12.351 -4.216 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -12.072 -1.608 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.015 -2.095 3.634 1.00 0.00 H new TER 1239 GLY A 85 HETATM 1240 ZN ZN A 201 5.417 3.661 3.159 1.00 0.00 ZN HETATM 1241 ZN ZN A 401 -7.318 -0.412 -5.939 1.00 0.00 ZN