USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.608 K(o=1.6,f=-2.9!) USER MOD Set 1.2: A 77 CYS SG : rot 61:sc= 0.95 USER MOD Set 2.1: A 34 GLN : amide:sc= -1.23 K(o=-1.9,f=-4.4) USER MOD Set 2.2: A 67 HIS : no HE2:sc= -0.627 K(o=-1.9,f=-3.3) USER MOD Set 3.1: A 30 SER OG : rot -82:sc= 2.27 USER MOD Set 3.2: A 32 THR OG1 : rot 29:sc= 1.71 USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.0883 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -65:sc= 0.277 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0388 USER MOD Single : A 6 SER OG : rot 10:sc= 0.27 USER MOD Single : A 8 GLN : amide:sc= 0.472 K(o=0.47,f=-0.23) USER MOD Single : A 12 MET CE :methyl -164:sc= -1.07 (180deg=-1.79!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -133:sc= 0.801 (180deg=-1.49) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 45 CYS SG : rot -155:sc= 0.292! USER MOD Single : A 49 CYS SG : rot 12:sc= 0.0827 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 60 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.41) USER MOD Single : A 61 ASN : amide:sc= -0.98 K(o=-0.98,f=-2.2!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -120:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.261 K(o=-0.26,f=-1.1) USER MOD Single : A 91 SER OG : rot 180:sc= 0.125 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00955 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.761 19.316 -15.656 1.00 0.00 N ATOM 2 CA GLY A 1 -5.969 18.870 -14.503 1.00 0.00 C ATOM 3 C GLY A 1 -6.475 17.523 -14.017 1.00 0.00 C ATOM 4 O GLY A 1 -7.651 17.210 -14.216 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.177 19.275 -16.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.588 18.696 -15.770 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.080 20.294 -15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.918 18.795 -14.781 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.035 19.604 -13.700 1.00 0.00 H new ATOM 8 N SER A 2 -5.620 16.739 -13.355 1.00 0.00 N ATOM 9 CA SER A 2 -6.031 15.542 -12.636 1.00 0.00 C ATOM 10 C SER A 2 -6.950 15.939 -11.471 1.00 0.00 C ATOM 11 O SER A 2 -6.474 16.212 -10.372 1.00 0.00 O ATOM 12 CB SER A 2 -4.813 14.758 -12.146 1.00 0.00 C ATOM 13 OG SER A 2 -3.976 14.336 -13.215 1.00 0.00 O ATOM 0 H SER A 2 -4.618 16.923 -13.306 1.00 0.00 H new ATOM 0 HA SER A 2 -6.584 14.888 -13.310 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.237 15.378 -11.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.147 13.886 -11.584 1.00 0.00 H new ATOM 0 HG SER A 2 -3.210 13.841 -12.855 1.00 0.00 H new ATOM 19 N SER A 3 -8.255 16.029 -11.725 1.00 0.00 N ATOM 20 CA SER A 3 -9.249 16.512 -10.771 1.00 0.00 C ATOM 21 C SER A 3 -10.503 15.633 -10.736 1.00 0.00 C ATOM 22 O SER A 3 -11.373 15.861 -9.892 1.00 0.00 O ATOM 23 CB SER A 3 -9.563 17.986 -11.072 1.00 0.00 C ATOM 24 OG SER A 3 -9.952 18.191 -12.423 1.00 0.00 O ATOM 0 H SER A 3 -8.659 15.761 -12.623 1.00 0.00 H new ATOM 0 HA SER A 3 -8.833 16.446 -9.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.360 18.327 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.685 18.594 -10.853 1.00 0.00 H new ATOM 0 HG SER A 3 -9.201 17.978 -13.016 1.00 0.00 H new ATOM 30 N GLY A 4 -10.591 14.617 -11.600 1.00 0.00 N ATOM 31 CA GLY A 4 -11.597 13.568 -11.536 1.00 0.00 C ATOM 32 C GLY A 4 -10.873 12.238 -11.572 1.00 0.00 C ATOM 33 O GLY A 4 -10.620 11.654 -10.516 1.00 0.00 O ATOM 0 H GLY A 4 -9.945 14.504 -12.381 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.187 13.658 -10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.290 13.650 -12.374 1.00 0.00 H new ATOM 37 N SER A 5 -10.460 11.816 -12.769 1.00 0.00 N ATOM 38 CA SER A 5 -9.557 10.691 -12.985 1.00 0.00 C ATOM 39 C SER A 5 -8.282 10.908 -12.161 1.00 0.00 C ATOM 40 O SER A 5 -7.461 11.751 -12.532 1.00 0.00 O ATOM 41 CB SER A 5 -9.218 10.559 -14.480 1.00 0.00 C ATOM 42 OG SER A 5 -10.318 10.881 -15.307 1.00 0.00 O ATOM 0 H SER A 5 -10.755 12.262 -13.637 1.00 0.00 H new ATOM 0 HA SER A 5 -10.040 9.768 -12.665 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.381 11.214 -14.720 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.895 9.539 -14.689 1.00 0.00 H new ATOM 0 HG SER A 5 -10.059 10.786 -16.247 1.00 0.00 H new ATOM 48 N SER A 6 -8.140 10.185 -11.053 1.00 0.00 N ATOM 49 CA SER A 6 -7.013 10.184 -10.129 1.00 0.00 C ATOM 50 C SER A 6 -7.064 8.870 -9.342 1.00 0.00 C ATOM 51 O SER A 6 -8.069 8.152 -9.414 1.00 0.00 O ATOM 52 CB SER A 6 -7.145 11.355 -9.151 1.00 0.00 C ATOM 53 OG SER A 6 -6.986 12.618 -9.768 1.00 0.00 O ATOM 0 H SER A 6 -8.868 9.535 -10.757 1.00 0.00 H new ATOM 0 HA SER A 6 -6.074 10.281 -10.674 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.124 11.312 -8.673 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.400 11.247 -8.362 1.00 0.00 H new ATOM 0 HG SER A 6 -6.968 12.507 -10.741 1.00 0.00 H new ATOM 59 N GLY A 7 -6.012 8.568 -8.577 1.00 0.00 N ATOM 60 CA GLY A 7 -5.937 7.424 -7.680 1.00 0.00 C ATOM 61 C GLY A 7 -5.692 6.140 -8.458 1.00 0.00 C ATOM 62 O GLY A 7 -4.634 5.523 -8.339 1.00 0.00 O ATOM 0 H GLY A 7 -5.164 9.135 -8.568 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.135 7.575 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.864 7.339 -7.113 1.00 0.00 H new ATOM 66 N GLN A 8 -6.673 5.745 -9.263 1.00 0.00 N ATOM 67 CA GLN A 8 -6.646 4.539 -10.056 1.00 0.00 C ATOM 68 C GLN A 8 -5.487 4.576 -11.051 1.00 0.00 C ATOM 69 O GLN A 8 -5.257 5.581 -11.736 1.00 0.00 O ATOM 70 CB GLN A 8 -7.991 4.401 -10.784 1.00 0.00 C ATOM 71 CG GLN A 8 -8.179 3.006 -11.389 1.00 0.00 C ATOM 72 CD GLN A 8 -8.220 1.940 -10.304 1.00 0.00 C ATOM 73 OE1 GLN A 8 -9.153 1.908 -9.512 1.00 0.00 O ATOM 74 NE2 GLN A 8 -7.232 1.062 -10.226 1.00 0.00 N ATOM 0 H GLN A 8 -7.534 6.279 -9.379 1.00 0.00 H new ATOM 0 HA GLN A 8 -6.493 3.675 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.803 4.605 -10.086 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -8.054 5.150 -11.574 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.103 2.978 -11.966 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -7.364 2.794 -12.081 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.461 1.101 -10.893 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -7.242 0.347 -9.499 1.00 0.00 H new ATOM 83 N ALA A 9 -4.819 3.437 -11.189 1.00 0.00 N ATOM 84 CA ALA A 9 -3.874 3.123 -12.246 1.00 0.00 C ATOM 85 C ALA A 9 -4.004 1.628 -12.568 1.00 0.00 C ATOM 86 O ALA A 9 -4.917 0.960 -12.059 1.00 0.00 O ATOM 87 CB ALA A 9 -2.464 3.499 -11.773 1.00 0.00 C ATOM 0 H ALA A 9 -4.931 2.668 -10.529 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.076 3.688 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -1.743 3.268 -12.558 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.428 4.565 -11.549 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.218 2.931 -10.876 1.00 0.00 H new ATOM 93 N GLU A 10 -3.085 1.106 -13.381 1.00 0.00 N ATOM 94 CA GLU A 10 -2.722 -0.296 -13.371 1.00 0.00 C ATOM 95 C GLU A 10 -1.902 -0.499 -12.101 1.00 0.00 C ATOM 96 O GLU A 10 -0.767 -0.018 -11.978 1.00 0.00 O ATOM 97 CB GLU A 10 -1.908 -0.693 -14.612 1.00 0.00 C ATOM 98 CG GLU A 10 -2.792 -0.918 -15.844 1.00 0.00 C ATOM 99 CD GLU A 10 -1.962 -1.376 -17.046 1.00 0.00 C ATOM 100 OE1 GLU A 10 -1.255 -2.405 -16.952 1.00 0.00 O ATOM 101 OE2 GLU A 10 -2.002 -0.734 -18.121 1.00 0.00 O ATOM 0 H GLU A 10 -2.571 1.657 -14.069 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.612 -0.924 -13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.178 0.087 -14.829 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.347 -1.603 -14.399 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.552 -1.666 -15.618 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.317 0.005 -16.092 1.00 0.00 H new ATOM 108 N LEU A 11 -2.521 -1.174 -11.143 1.00 0.00 N ATOM 109 CA LEU A 11 -1.891 -1.784 -9.978 1.00 0.00 C ATOM 110 C LEU A 11 -1.024 -2.969 -10.442 1.00 0.00 C ATOM 111 O LEU A 11 -0.900 -3.229 -11.642 1.00 0.00 O ATOM 112 CB LEU A 11 -3.007 -2.256 -9.028 1.00 0.00 C ATOM 113 CG LEU A 11 -3.670 -1.192 -8.130 1.00 0.00 C ATOM 114 CD1 LEU A 11 -2.785 -0.877 -6.930 1.00 0.00 C ATOM 115 CD2 LEU A 11 -4.088 0.103 -8.833 1.00 0.00 C ATOM 0 H LEU A 11 -3.530 -1.319 -11.157 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.250 -1.074 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.787 -2.723 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.595 -3.032 -8.383 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.605 -1.651 -7.808 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.270 -0.124 -6.308 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.628 -1.784 -6.346 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.824 -0.497 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.543 0.779 -8.109 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.211 0.578 -9.272 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.808 -0.126 -9.618 1.00 0.00 H new ATOM 127 N MET A 12 -0.405 -3.706 -9.513 1.00 0.00 N ATOM 128 CA MET A 12 0.117 -5.037 -9.816 1.00 0.00 C ATOM 129 C MET A 12 -0.990 -6.038 -9.537 1.00 0.00 C ATOM 130 O MET A 12 -1.621 -5.977 -8.484 1.00 0.00 O ATOM 131 CB MET A 12 1.341 -5.358 -8.952 1.00 0.00 C ATOM 132 CG MET A 12 2.625 -5.021 -9.713 1.00 0.00 C ATOM 133 SD MET A 12 4.150 -4.910 -8.747 1.00 0.00 S ATOM 134 CE MET A 12 4.141 -6.498 -7.889 1.00 0.00 C ATOM 0 H MET A 12 -0.255 -3.403 -8.551 1.00 0.00 H new ATOM 0 HA MET A 12 0.431 -5.083 -10.859 1.00 0.00 H new ATOM 0 HB2 MET A 12 1.300 -4.789 -8.023 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.337 -6.413 -8.680 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.768 -5.776 -10.486 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.477 -4.068 -10.222 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.845 -6.466 -7.058 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.140 -6.701 -7.509 1.00 0.00 H new ATOM 0 HE3 MET A 12 4.433 -7.287 -8.582 1.00 0.00 H new ATOM 144 N THR A 13 -1.176 -6.991 -10.439 1.00 0.00 N ATOM 145 CA THR A 13 -2.170 -8.046 -10.321 1.00 0.00 C ATOM 146 C THR A 13 -1.412 -9.363 -10.150 1.00 0.00 C ATOM 147 O THR A 13 -0.335 -9.551 -10.725 1.00 0.00 O ATOM 148 CB THR A 13 -3.110 -7.982 -11.539 1.00 0.00 C ATOM 149 OG1 THR A 13 -3.632 -6.672 -11.652 1.00 0.00 O ATOM 150 CG2 THR A 13 -4.287 -8.947 -11.458 1.00 0.00 C ATOM 0 H THR A 13 -0.625 -7.053 -11.295 1.00 0.00 H new ATOM 0 HA THR A 13 -2.820 -7.938 -9.452 1.00 0.00 H new ATOM 0 HB THR A 13 -2.510 -8.266 -12.403 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.230 -6.624 -12.427 1.00 0.00 H new ATOM 0 HG21 THR A 13 -4.904 -8.844 -12.351 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.915 -9.969 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.885 -8.719 -10.576 1.00 0.00 H new ATOM 158 N LEU A 14 -1.944 -10.260 -9.320 1.00 0.00 N ATOM 159 CA LEU A 14 -1.328 -11.513 -8.897 1.00 0.00 C ATOM 160 C LEU A 14 -2.351 -12.638 -9.007 1.00 0.00 C ATOM 161 O LEU A 14 -3.554 -12.395 -9.159 1.00 0.00 O ATOM 162 CB LEU A 14 -0.842 -11.418 -7.439 1.00 0.00 C ATOM 163 CG LEU A 14 0.313 -10.441 -7.165 1.00 0.00 C ATOM 164 CD1 LEU A 14 0.674 -10.557 -5.680 1.00 0.00 C ATOM 165 CD2 LEU A 14 1.557 -10.743 -8.005 1.00 0.00 C ATOM 0 H LEU A 14 -2.865 -10.123 -8.904 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.472 -11.714 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.688 -11.130 -6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.532 -12.412 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.015 -9.437 -7.433 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.493 -9.875 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.194 -10.299 -5.073 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.980 -11.579 -5.459 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.339 -10.021 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.912 -11.749 -7.781 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.307 -10.674 -9.064 1.00 0.00 H new ATOM 177 N THR A 15 -1.874 -13.876 -8.898 1.00 0.00 N ATOM 178 CA THR A 15 -2.699 -15.059 -8.726 1.00 0.00 C ATOM 179 C THR A 15 -2.073 -15.941 -7.637 1.00 0.00 C ATOM 180 O THR A 15 -0.858 -15.906 -7.456 1.00 0.00 O ATOM 181 CB THR A 15 -2.802 -15.759 -10.086 1.00 0.00 C ATOM 182 OG1 THR A 15 -3.332 -14.880 -11.055 1.00 0.00 O ATOM 183 CG2 THR A 15 -3.723 -16.966 -10.070 1.00 0.00 C ATOM 0 H THR A 15 -0.876 -14.084 -8.928 1.00 0.00 H new ATOM 0 HA THR A 15 -3.710 -14.818 -8.397 1.00 0.00 H new ATOM 0 HB THR A 15 -1.786 -16.075 -10.321 1.00 0.00 H new ATOM 0 HG1 THR A 15 -3.390 -15.341 -11.918 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.751 -17.415 -11.063 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.352 -17.697 -9.351 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.727 -16.653 -9.784 1.00 0.00 H new ATOM 191 N ILE A 16 -2.870 -16.750 -6.936 1.00 0.00 N ATOM 192 CA ILE A 16 -2.418 -17.739 -5.952 1.00 0.00 C ATOM 193 C ILE A 16 -3.308 -18.982 -6.010 1.00 0.00 C ATOM 194 O ILE A 16 -4.441 -18.887 -6.481 1.00 0.00 O ATOM 195 CB ILE A 16 -2.424 -17.147 -4.525 1.00 0.00 C ATOM 196 CG1 ILE A 16 -3.742 -16.462 -4.140 1.00 0.00 C ATOM 197 CG2 ILE A 16 -1.274 -16.169 -4.287 1.00 0.00 C ATOM 198 CD1 ILE A 16 -3.720 -15.864 -2.729 1.00 0.00 C ATOM 0 H ILE A 16 -3.884 -16.735 -7.041 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.394 -18.020 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.297 -18.019 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.957 -15.672 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.554 -17.186 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.328 -15.785 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -0.324 -16.683 -4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.349 -15.341 -4.992 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.681 -15.394 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.535 -16.654 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.929 -15.117 -2.663 1.00 0.00 H new ATOM 210 N VAL A 17 -2.843 -20.117 -5.468 1.00 0.00 N ATOM 211 CA VAL A 17 -3.610 -21.360 -5.397 1.00 0.00 C ATOM 212 C VAL A 17 -3.666 -21.810 -3.938 1.00 0.00 C ATOM 213 O VAL A 17 -2.652 -22.118 -3.301 1.00 0.00 O ATOM 214 CB VAL A 17 -3.048 -22.436 -6.348 1.00 0.00 C ATOM 215 CG1 VAL A 17 -3.816 -23.758 -6.170 1.00 0.00 C ATOM 216 CG2 VAL A 17 -3.143 -21.979 -7.810 1.00 0.00 C ATOM 0 H VAL A 17 -1.910 -20.194 -5.062 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.629 -21.190 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.998 -22.591 -6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.409 -24.509 -6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.713 -24.103 -5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.871 -23.599 -6.395 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.740 -22.755 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.186 -21.795 -8.067 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.570 -21.061 -7.942 1.00 0.00 H new ATOM 226 N LYS A 18 -4.881 -21.810 -3.397 1.00 0.00 N ATOM 227 CA LYS A 18 -5.188 -22.138 -2.013 1.00 0.00 C ATOM 228 C LYS A 18 -4.918 -23.626 -1.759 1.00 0.00 C ATOM 229 O LYS A 18 -5.567 -24.477 -2.376 1.00 0.00 O ATOM 230 CB LYS A 18 -6.650 -21.735 -1.795 1.00 0.00 C ATOM 231 CG LYS A 18 -7.062 -21.643 -0.325 1.00 0.00 C ATOM 232 CD LYS A 18 -8.499 -21.112 -0.245 1.00 0.00 C ATOM 233 CE LYS A 18 -9.027 -20.856 1.170 1.00 0.00 C ATOM 234 NZ LYS A 18 -8.266 -19.921 1.998 1.00 0.00 N ATOM 0 H LYS A 18 -5.713 -21.571 -3.937 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.560 -21.604 -1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.824 -20.770 -2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.293 -22.458 -2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.995 -22.623 0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.385 -20.982 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.556 -20.182 -0.810 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.160 -21.825 -0.738 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.049 -20.485 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.075 -21.811 1.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.121 -20.332 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.343 -19.737 1.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.792 -19.028 2.087 1.00 0.00 H new ATOM 248 N GLY A 19 -3.945 -23.934 -0.899 1.00 0.00 N ATOM 249 CA GLY A 19 -3.446 -25.288 -0.682 1.00 0.00 C ATOM 250 C GLY A 19 -4.409 -26.162 0.114 1.00 0.00 C ATOM 251 O GLY A 19 -5.131 -26.950 -0.491 1.00 0.00 O ATOM 0 H GLY A 19 -3.475 -23.234 -0.325 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.253 -25.756 -1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.492 -25.237 -0.156 1.00 0.00 H new ATOM 255 N ALA A 20 -4.429 -26.074 1.449 1.00 0.00 N ATOM 256 CA ALA A 20 -5.252 -26.953 2.276 1.00 0.00 C ATOM 257 C ALA A 20 -5.612 -26.284 3.596 1.00 0.00 C ATOM 258 O ALA A 20 -4.776 -25.613 4.206 1.00 0.00 O ATOM 259 CB ALA A 20 -4.480 -28.234 2.558 1.00 0.00 C ATOM 0 H ALA A 20 -3.880 -25.397 1.979 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.174 -27.173 1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.087 -28.896 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.243 -28.731 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.556 -27.994 3.084 1.00 0.00 H new ATOM 265 N GLN A 21 -6.856 -26.465 4.049 1.00 0.00 N ATOM 266 CA GLN A 21 -7.520 -25.724 5.128 1.00 0.00 C ATOM 267 C GLN A 21 -7.653 -24.224 4.815 1.00 0.00 C ATOM 268 O GLN A 21 -8.687 -23.630 5.126 1.00 0.00 O ATOM 269 CB GLN A 21 -6.901 -25.998 6.510 1.00 0.00 C ATOM 270 CG GLN A 21 -6.477 -27.451 6.791 1.00 0.00 C ATOM 271 CD GLN A 21 -7.646 -28.428 6.913 1.00 0.00 C ATOM 272 OE1 GLN A 21 -8.164 -28.651 8.007 1.00 0.00 O ATOM 273 NE2 GLN A 21 -8.068 -29.077 5.840 1.00 0.00 N ATOM 0 H GLN A 21 -7.465 -27.178 3.647 1.00 0.00 H new ATOM 0 HA GLN A 21 -8.537 -26.111 5.182 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.027 -25.358 6.626 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.620 -25.698 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.818 -27.787 5.991 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.897 -27.477 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.640 -28.894 4.932 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.821 -29.760 5.921 1.00 0.00 H new ATOM 282 N GLY A 22 -6.683 -23.604 4.144 1.00 0.00 N ATOM 283 CA GLY A 22 -6.768 -22.281 3.574 1.00 0.00 C ATOM 284 C GLY A 22 -5.536 -22.018 2.713 1.00 0.00 C ATOM 285 O GLY A 22 -5.122 -22.899 1.958 1.00 0.00 O ATOM 0 H GLY A 22 -5.776 -24.042 3.981 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.672 -22.190 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -6.837 -21.536 4.366 1.00 0.00 H new ATOM 289 N PHE A 23 -5.001 -20.796 2.741 1.00 0.00 N ATOM 290 CA PHE A 23 -3.713 -20.484 2.124 1.00 0.00 C ATOM 291 C PHE A 23 -2.645 -20.612 3.203 1.00 0.00 C ATOM 292 O PHE A 23 -2.920 -20.372 4.379 1.00 0.00 O ATOM 293 CB PHE A 23 -3.665 -19.055 1.565 1.00 0.00 C ATOM 294 CG PHE A 23 -4.716 -18.714 0.534 1.00 0.00 C ATOM 295 CD1 PHE A 23 -6.017 -18.383 0.954 1.00 0.00 C ATOM 296 CD2 PHE A 23 -4.409 -18.737 -0.844 1.00 0.00 C ATOM 297 CE1 PHE A 23 -7.007 -18.097 0.008 1.00 0.00 C ATOM 298 CE2 PHE A 23 -5.426 -18.480 -1.779 1.00 0.00 C ATOM 299 CZ PHE A 23 -6.714 -18.122 -1.352 1.00 0.00 C ATOM 0 H PHE A 23 -5.448 -19.997 3.191 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.552 -21.171 1.293 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.760 -18.357 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.683 -18.892 1.122 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.252 -18.350 2.008 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.403 -18.950 -1.176 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.007 -17.855 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.215 -18.559 -2.835 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.474 -17.867 -2.076 1.00 0.00 H new ATOM 309 N GLY A 24 -1.406 -20.908 2.813 1.00 0.00 N ATOM 310 CA GLY A 24 -0.336 -21.003 3.792 1.00 0.00 C ATOM 311 C GLY A 24 0.053 -19.639 4.355 1.00 0.00 C ATOM 312 O GLY A 24 0.294 -19.522 5.560 1.00 0.00 O ATOM 0 H GLY A 24 -1.127 -21.082 1.848 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.649 -21.655 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.536 -21.466 3.331 1.00 0.00 H new ATOM 316 N PHE A 25 0.145 -18.617 3.494 1.00 0.00 N ATOM 317 CA PHE A 25 0.618 -17.293 3.884 1.00 0.00 C ATOM 318 C PHE A 25 -0.303 -16.643 4.922 1.00 0.00 C ATOM 319 O PHE A 25 -1.427 -17.088 5.182 1.00 0.00 O ATOM 320 CB PHE A 25 0.842 -16.386 2.656 1.00 0.00 C ATOM 321 CG PHE A 25 -0.392 -15.727 2.071 1.00 0.00 C ATOM 322 CD1 PHE A 25 -1.240 -16.466 1.230 1.00 0.00 C ATOM 323 CD2 PHE A 25 -0.667 -14.367 2.309 1.00 0.00 C ATOM 324 CE1 PHE A 25 -2.377 -15.871 0.660 1.00 0.00 C ATOM 325 CE2 PHE A 25 -1.785 -13.761 1.707 1.00 0.00 C ATOM 326 CZ PHE A 25 -2.651 -14.516 0.901 1.00 0.00 C ATOM 0 H PHE A 25 -0.108 -18.690 2.509 1.00 0.00 H new ATOM 0 HA PHE A 25 1.588 -17.423 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.548 -15.603 2.933 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.315 -16.980 1.874 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.016 -17.501 1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.020 -13.789 2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -3.039 -16.455 0.038 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.978 -12.710 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 25 -3.526 -14.055 0.467 1.00 0.00 H new ATOM 336 N THR A 26 0.203 -15.569 5.519 1.00 0.00 N ATOM 337 CA THR A 26 -0.471 -14.808 6.560 1.00 0.00 C ATOM 338 C THR A 26 -0.536 -13.335 6.155 1.00 0.00 C ATOM 339 O THR A 26 0.341 -12.844 5.435 1.00 0.00 O ATOM 340 CB THR A 26 0.269 -15.014 7.892 1.00 0.00 C ATOM 341 OG1 THR A 26 1.662 -14.762 7.771 1.00 0.00 O ATOM 342 CG2 THR A 26 0.135 -16.440 8.424 1.00 0.00 C ATOM 0 H THR A 26 1.122 -15.194 5.283 1.00 0.00 H new ATOM 0 HA THR A 26 -1.496 -15.156 6.690 1.00 0.00 H new ATOM 0 HB THR A 26 -0.199 -14.307 8.578 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.096 -14.902 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.676 -16.529 9.366 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.918 -16.670 8.587 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.551 -17.139 7.699 1.00 0.00 H new ATOM 350 N ILE A 27 -1.535 -12.609 6.659 1.00 0.00 N ATOM 351 CA ILE A 27 -1.704 -11.179 6.427 1.00 0.00 C ATOM 352 C ILE A 27 -1.701 -10.432 7.764 1.00 0.00 C ATOM 353 O ILE A 27 -1.707 -11.043 8.838 1.00 0.00 O ATOM 354 CB ILE A 27 -2.934 -10.889 5.525 1.00 0.00 C ATOM 355 CG1 ILE A 27 -4.256 -11.477 6.059 1.00 0.00 C ATOM 356 CG2 ILE A 27 -2.656 -11.443 4.118 1.00 0.00 C ATOM 357 CD1 ILE A 27 -5.493 -10.907 5.349 1.00 0.00 C ATOM 0 H ILE A 27 -2.262 -13.009 7.251 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.856 -10.794 5.860 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.069 -9.807 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.241 -12.560 5.939 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -4.332 -11.276 7.128 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.513 -11.246 3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.772 -10.958 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.486 -12.518 4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -6.393 -11.358 5.767 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -5.529 -9.827 5.491 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.437 -11.131 4.284 1.00 0.00 H new ATOM 369 N ALA A 28 -1.652 -9.108 7.700 1.00 0.00 N ATOM 370 CA ALA A 28 -1.686 -8.180 8.813 1.00 0.00 C ATOM 371 C ALA A 28 -2.527 -6.979 8.419 1.00 0.00 C ATOM 372 O ALA A 28 -2.520 -6.587 7.253 1.00 0.00 O ATOM 373 CB ALA A 28 -0.258 -7.714 9.138 1.00 0.00 C ATOM 0 H ALA A 28 -1.583 -8.625 6.804 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.114 -8.667 9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.285 -7.016 9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.354 -8.576 9.403 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.170 -7.219 8.266 1.00 0.00 H new ATOM 379 N ASP A 29 -3.174 -6.371 9.407 1.00 0.00 N ATOM 380 CA ASP A 29 -3.709 -5.017 9.301 1.00 0.00 C ATOM 381 C ASP A 29 -2.525 -4.044 9.289 1.00 0.00 C ATOM 382 O ASP A 29 -1.439 -4.362 9.793 1.00 0.00 O ATOM 383 CB ASP A 29 -4.712 -4.773 10.445 1.00 0.00 C ATOM 384 CG ASP A 29 -4.926 -3.301 10.817 1.00 0.00 C ATOM 385 OD1 ASP A 29 -4.072 -2.696 11.508 1.00 0.00 O ATOM 386 OD2 ASP A 29 -6.001 -2.768 10.477 1.00 0.00 O ATOM 0 H ASP A 29 -3.344 -6.808 10.313 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.267 -4.863 8.378 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.673 -5.204 10.164 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.369 -5.309 11.330 1.00 0.00 H new ATOM 391 N SER A 30 -2.691 -2.925 8.586 1.00 0.00 N ATOM 392 CA SER A 30 -1.702 -1.880 8.374 1.00 0.00 C ATOM 393 C SER A 30 -2.474 -0.551 8.284 1.00 0.00 C ATOM 394 O SER A 30 -3.668 -0.563 7.963 1.00 0.00 O ATOM 395 CB SER A 30 -0.889 -2.228 7.101 1.00 0.00 C ATOM 396 OG SER A 30 -1.494 -1.744 5.920 1.00 0.00 O ATOM 0 H SER A 30 -3.575 -2.715 8.123 1.00 0.00 H new ATOM 0 HA SER A 30 -0.977 -1.792 9.184 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.113 -1.809 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.777 -3.310 7.030 1.00 0.00 H new ATOM 0 HG SER A 30 -2.189 -2.370 5.628 1.00 0.00 H new ATOM 402 N PRO A 31 -1.807 0.607 8.433 1.00 0.00 N ATOM 403 CA PRO A 31 -2.407 1.952 8.391 1.00 0.00 C ATOM 404 C PRO A 31 -2.936 2.357 6.999 1.00 0.00 C ATOM 405 O PRO A 31 -3.174 3.537 6.709 1.00 0.00 O ATOM 406 CB PRO A 31 -1.282 2.882 8.865 1.00 0.00 C ATOM 407 CG PRO A 31 -0.003 2.139 8.485 1.00 0.00 C ATOM 408 CD PRO A 31 -0.379 0.686 8.672 1.00 0.00 C ATOM 0 HA PRO A 31 -3.296 2.002 9.020 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.337 3.856 8.378 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.337 3.059 9.939 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.295 2.349 7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.833 2.424 9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.168 0.049 7.977 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.133 0.346 9.678 1.00 0.00 H new ATOM 416 N THR A 32 -3.034 1.392 6.095 1.00 0.00 N ATOM 417 CA THR A 32 -3.163 1.553 4.666 1.00 0.00 C ATOM 418 C THR A 32 -4.079 0.471 4.066 1.00 0.00 C ATOM 419 O THR A 32 -4.321 0.518 2.862 1.00 0.00 O ATOM 420 CB THR A 32 -1.734 1.548 4.066 1.00 0.00 C ATOM 421 OG1 THR A 32 -0.881 0.594 4.684 1.00 0.00 O ATOM 422 CG2 THR A 32 -1.004 2.876 4.296 1.00 0.00 C ATOM 0 H THR A 32 -3.024 0.409 6.368 1.00 0.00 H new ATOM 0 HA THR A 32 -3.645 2.499 4.420 1.00 0.00 H new ATOM 0 HB THR A 32 -1.902 1.333 3.011 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.416 -0.159 5.012 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.007 2.824 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.564 3.685 3.828 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.920 3.065 5.366 1.00 0.00 H new ATOM 430 N GLY A 33 -4.573 -0.498 4.851 1.00 0.00 N ATOM 431 CA GLY A 33 -5.266 -1.688 4.355 1.00 0.00 C ATOM 432 C GLY A 33 -4.566 -2.944 4.872 1.00 0.00 C ATOM 433 O GLY A 33 -3.768 -2.863 5.804 1.00 0.00 O ATOM 0 H GLY A 33 -4.499 -0.472 5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.306 -1.678 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.275 -1.688 3.265 1.00 0.00 H new ATOM 437 N GLN A 34 -4.832 -4.114 4.300 1.00 0.00 N ATOM 438 CA GLN A 34 -4.144 -5.349 4.672 1.00 0.00 C ATOM 439 C GLN A 34 -2.809 -5.453 3.943 1.00 0.00 C ATOM 440 O GLN A 34 -2.696 -5.039 2.790 1.00 0.00 O ATOM 441 CB GLN A 34 -5.020 -6.567 4.359 1.00 0.00 C ATOM 442 CG GLN A 34 -6.407 -6.474 5.008 1.00 0.00 C ATOM 443 CD GLN A 34 -6.361 -6.035 6.464 1.00 0.00 C ATOM 444 OE1 GLN A 34 -5.647 -6.636 7.263 1.00 0.00 O ATOM 445 NE2 GLN A 34 -7.128 -5.018 6.828 1.00 0.00 N ATOM 0 H GLN A 34 -5.530 -4.234 3.566 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.953 -5.328 5.745 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.133 -6.661 3.279 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.519 -7.470 4.707 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.019 -5.771 4.443 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -6.897 -7.446 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -7.708 -4.543 6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -7.139 -4.710 7.800 1.00 0.00 H new ATOM 454 N ARG A 35 -1.809 -6.056 4.584 1.00 0.00 N ATOM 455 CA ARG A 35 -0.498 -6.377 4.023 1.00 0.00 C ATOM 456 C ARG A 35 -0.201 -7.838 4.254 1.00 0.00 C ATOM 457 O ARG A 35 -0.807 -8.484 5.106 1.00 0.00 O ATOM 458 CB ARG A 35 0.596 -5.520 4.678 1.00 0.00 C ATOM 459 CG ARG A 35 0.516 -4.066 4.226 1.00 0.00 C ATOM 460 CD ARG A 35 1.745 -3.281 4.677 1.00 0.00 C ATOM 461 NE ARG A 35 1.416 -1.871 4.935 1.00 0.00 N ATOM 462 CZ ARG A 35 2.283 -0.888 5.202 1.00 0.00 C ATOM 463 NH1 ARG A 35 3.593 -1.087 5.157 1.00 0.00 N ATOM 464 NH2 ARG A 35 1.828 0.312 5.528 1.00 0.00 N ATOM 0 H ARG A 35 -1.896 -6.348 5.557 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.511 -6.165 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.498 -5.570 5.762 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.576 -5.926 4.427 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.432 -4.024 3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.384 -3.604 4.633 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.155 -3.732 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.518 -3.342 3.911 1.00 0.00 H new ATOM 0 HE ARG A 35 0.428 -1.617 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.961 -2.007 4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.233 -0.320 5.365 1.00 0.00 H new ATOM 0 HH21 ARG A 35 0.823 0.481 5.574 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.482 1.067 5.733 1.00 0.00 H new ATOM 478 N VAL A 36 0.775 -8.350 3.524 1.00 0.00 N ATOM 479 CA VAL A 36 1.279 -9.699 3.717 1.00 0.00 C ATOM 480 C VAL A 36 2.224 -9.647 4.918 1.00 0.00 C ATOM 481 O VAL A 36 3.232 -8.930 4.900 1.00 0.00 O ATOM 482 CB VAL A 36 1.926 -10.188 2.417 1.00 0.00 C ATOM 483 CG1 VAL A 36 2.607 -11.558 2.591 1.00 0.00 C ATOM 484 CG2 VAL A 36 0.876 -10.321 1.305 1.00 0.00 C ATOM 0 H VAL A 36 1.243 -7.838 2.776 1.00 0.00 H new ATOM 0 HA VAL A 36 0.497 -10.425 3.938 1.00 0.00 H new ATOM 0 HB VAL A 36 2.677 -9.445 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.052 -11.866 1.645 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.385 -11.484 3.351 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.867 -12.296 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.356 -10.669 0.391 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.113 -11.037 1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.412 -9.351 1.124 1.00 0.00 H new ATOM 494 N LYS A 37 1.861 -10.383 5.972 1.00 0.00 N ATOM 495 CA LYS A 37 2.649 -10.552 7.186 1.00 0.00 C ATOM 496 C LYS A 37 3.865 -11.399 6.857 1.00 0.00 C ATOM 497 O LYS A 37 4.986 -10.933 7.047 1.00 0.00 O ATOM 498 CB LYS A 37 1.775 -11.192 8.280 1.00 0.00 C ATOM 499 CG LYS A 37 2.548 -11.779 9.479 1.00 0.00 C ATOM 500 CD LYS A 37 1.572 -12.462 10.446 1.00 0.00 C ATOM 501 CE LYS A 37 2.075 -12.527 11.891 1.00 0.00 C ATOM 502 NZ LYS A 37 3.269 -13.373 12.053 1.00 0.00 N ATOM 0 H LYS A 37 0.978 -10.894 6.000 1.00 0.00 H new ATOM 0 HA LYS A 37 2.994 -9.590 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.077 -10.441 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.179 -11.985 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 37 3.289 -12.498 9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 37 3.091 -10.987 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.622 -11.928 10.426 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.376 -13.475 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.303 -11.518 12.235 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.278 -12.909 12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.560 -13.376 13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.049 -14.344 11.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.043 -12.997 11.468 1.00 0.00 H new ATOM 516 N GLN A 38 3.632 -12.639 6.419 1.00 0.00 N ATOM 517 CA GLN A 38 4.670 -13.593 6.086 1.00 0.00 C ATOM 518 C GLN A 38 4.150 -14.541 5.013 1.00 0.00 C ATOM 519 O GLN A 38 2.947 -14.818 4.960 1.00 0.00 O ATOM 520 CB GLN A 38 5.132 -14.360 7.343 1.00 0.00 C ATOM 521 CG GLN A 38 6.357 -15.230 7.004 1.00 0.00 C ATOM 522 CD GLN A 38 7.354 -15.389 8.140 1.00 0.00 C ATOM 523 OE1 GLN A 38 7.029 -15.938 9.187 1.00 0.00 O ATOM 524 NE2 GLN A 38 8.585 -14.936 7.972 1.00 0.00 N ATOM 0 H GLN A 38 2.690 -13.007 6.286 1.00 0.00 H new ATOM 0 HA GLN A 38 5.540 -13.065 5.696 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.383 -13.657 8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 38 4.322 -14.987 7.716 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.012 -16.218 6.700 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.870 -14.794 6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.846 -14.481 7.097 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.274 -15.042 8.717 1.00 0.00 H new ATOM 533 N ILE A 39 5.078 -15.099 4.238 1.00 0.00 N ATOM 534 CA ILE A 39 4.889 -16.102 3.204 1.00 0.00 C ATOM 535 C ILE A 39 5.415 -17.418 3.765 1.00 0.00 C ATOM 536 O ILE A 39 6.608 -17.552 4.026 1.00 0.00 O ATOM 537 CB ILE A 39 5.618 -15.625 1.930 1.00 0.00 C ATOM 538 CG1 ILE A 39 4.880 -14.348 1.472 1.00 0.00 C ATOM 539 CG2 ILE A 39 5.695 -16.693 0.823 1.00 0.00 C ATOM 540 CD1 ILE A 39 5.174 -13.917 0.048 1.00 0.00 C ATOM 0 H ILE A 39 6.060 -14.837 4.328 1.00 0.00 H new ATOM 0 HA ILE A 39 3.846 -16.252 2.924 1.00 0.00 H new ATOM 0 HB ILE A 39 6.666 -15.421 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.807 -14.510 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.144 -13.532 2.145 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.221 -16.285 -0.040 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.232 -17.565 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.687 -16.986 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.611 -13.013 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.240 -13.718 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.882 -14.711 -0.640 1.00 0.00 H new ATOM 552 N LEU A 40 4.502 -18.347 4.041 1.00 0.00 N ATOM 553 CA LEU A 40 4.780 -19.621 4.669 1.00 0.00 C ATOM 554 C LEU A 40 4.769 -20.771 3.651 1.00 0.00 C ATOM 555 O LEU A 40 4.987 -21.919 4.036 1.00 0.00 O ATOM 556 CB LEU A 40 3.700 -19.853 5.712 1.00 0.00 C ATOM 557 CG LEU A 40 3.703 -18.875 6.894 1.00 0.00 C ATOM 558 CD1 LEU A 40 4.982 -18.901 7.743 1.00 0.00 C ATOM 559 CD2 LEU A 40 3.298 -17.427 6.682 1.00 0.00 C ATOM 0 H LEU A 40 3.514 -18.221 3.822 1.00 0.00 H new ATOM 0 HA LEU A 40 5.774 -19.598 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.728 -19.800 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.806 -20.866 6.101 1.00 0.00 H new ATOM 0 HG LEU A 40 2.862 -19.321 7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.895 -18.179 8.555 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.122 -19.899 8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.838 -18.644 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.361 -16.889 7.628 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.967 -16.965 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.274 -17.386 6.309 1.00 0.00 H new ATOM 571 N ASP A 41 4.408 -20.506 2.392 1.00 0.00 N ATOM 572 CA ASP A 41 3.967 -21.492 1.402 1.00 0.00 C ATOM 573 C ASP A 41 4.249 -20.955 -0.003 1.00 0.00 C ATOM 574 O ASP A 41 3.345 -20.486 -0.699 1.00 0.00 O ATOM 575 CB ASP A 41 2.470 -21.722 1.636 1.00 0.00 C ATOM 576 CG ASP A 41 1.847 -22.753 0.704 1.00 0.00 C ATOM 577 OD1 ASP A 41 2.443 -23.842 0.541 1.00 0.00 O ATOM 578 OD2 ASP A 41 0.689 -22.531 0.271 1.00 0.00 O ATOM 0 H ASP A 41 4.416 -19.557 2.019 1.00 0.00 H new ATOM 0 HA ASP A 41 4.499 -22.438 1.499 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.319 -22.042 2.667 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.944 -20.775 1.516 1.00 0.00 H new ATOM 583 N ILE A 42 5.533 -20.878 -0.351 1.00 0.00 N ATOM 584 CA ILE A 42 6.069 -20.027 -1.414 1.00 0.00 C ATOM 585 C ILE A 42 5.448 -20.396 -2.763 1.00 0.00 C ATOM 586 O ILE A 42 4.747 -19.575 -3.349 1.00 0.00 O ATOM 587 CB ILE A 42 7.617 -20.079 -1.404 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.152 -19.544 -0.053 1.00 0.00 C ATOM 589 CG2 ILE A 42 8.217 -19.266 -2.568 1.00 0.00 C ATOM 590 CD1 ILE A 42 9.646 -19.785 0.154 1.00 0.00 C ATOM 0 H ILE A 42 6.255 -21.426 0.116 1.00 0.00 H new ATOM 0 HA ILE A 42 5.793 -18.988 -1.234 1.00 0.00 H new ATOM 0 HB ILE A 42 7.920 -21.118 -1.531 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.954 -18.474 0.008 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.601 -20.017 0.759 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.305 -19.325 -2.530 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.865 -19.673 -3.516 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.907 -18.225 -2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 42 9.949 -19.384 1.121 1.00 0.00 H new ATOM 0 HD12 ILE A 42 9.849 -20.856 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 42 10.208 -19.288 -0.637 1.00 0.00 H new ATOM 602 N GLN A 43 5.658 -21.620 -3.252 1.00 0.00 N ATOM 603 CA GLN A 43 5.150 -22.060 -4.550 1.00 0.00 C ATOM 604 C GLN A 43 3.620 -22.178 -4.577 1.00 0.00 C ATOM 605 O GLN A 43 3.024 -22.276 -5.654 1.00 0.00 O ATOM 606 CB GLN A 43 5.807 -23.398 -4.904 1.00 0.00 C ATOM 607 CG GLN A 43 7.282 -23.220 -5.282 1.00 0.00 C ATOM 608 CD GLN A 43 7.921 -24.545 -5.696 1.00 0.00 C ATOM 609 OE1 GLN A 43 7.821 -25.540 -4.981 1.00 0.00 O ATOM 610 NE2 GLN A 43 8.625 -24.608 -6.814 1.00 0.00 N ATOM 0 H GLN A 43 6.188 -22.336 -2.755 1.00 0.00 H new ATOM 0 HA GLN A 43 5.406 -21.305 -5.293 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.728 -24.078 -4.056 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.271 -23.859 -5.734 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.365 -22.504 -6.100 1.00 0.00 H new ATOM 0 HG3 GLN A 43 7.827 -22.801 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 43 8.710 -23.785 -7.410 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.082 -25.480 -7.080 1.00 0.00 H new ATOM 619 N GLY A 44 2.978 -22.127 -3.409 1.00 0.00 N ATOM 620 CA GLY A 44 1.531 -22.048 -3.282 1.00 0.00 C ATOM 621 C GLY A 44 1.014 -20.637 -3.545 1.00 0.00 C ATOM 622 O GLY A 44 -0.142 -20.468 -3.943 1.00 0.00 O ATOM 0 H GLY A 44 3.462 -22.140 -2.511 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.066 -22.742 -3.983 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.237 -22.362 -2.281 1.00 0.00 H new ATOM 626 N CYS A 45 1.854 -19.618 -3.340 1.00 0.00 N ATOM 627 CA CYS A 45 1.514 -18.223 -3.559 1.00 0.00 C ATOM 628 C CYS A 45 2.585 -17.579 -4.452 1.00 0.00 C ATOM 629 O CYS A 45 3.451 -16.862 -3.937 1.00 0.00 O ATOM 630 CB CYS A 45 1.309 -17.491 -2.222 1.00 0.00 C ATOM 631 SG CYS A 45 0.148 -18.419 -1.179 1.00 0.00 S ATOM 0 H CYS A 45 2.810 -19.751 -3.009 1.00 0.00 H new ATOM 0 HA CYS A 45 0.561 -18.145 -4.083 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.264 -17.380 -1.708 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.926 -16.487 -2.403 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.430 -17.607 -0.345 1.00 0.00 H new ATOM 637 N PRO A 46 2.559 -17.839 -5.773 1.00 0.00 N ATOM 638 CA PRO A 46 3.483 -17.216 -6.709 1.00 0.00 C ATOM 639 C PRO A 46 3.286 -15.692 -6.739 1.00 0.00 C ATOM 640 O PRO A 46 2.253 -15.174 -6.306 1.00 0.00 O ATOM 641 CB PRO A 46 3.234 -17.904 -8.051 1.00 0.00 C ATOM 642 CG PRO A 46 1.779 -18.350 -7.965 1.00 0.00 C ATOM 643 CD PRO A 46 1.634 -18.708 -6.488 1.00 0.00 C ATOM 0 HA PRO A 46 4.527 -17.344 -6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.395 -17.222 -8.886 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.904 -18.751 -8.197 1.00 0.00 H new ATOM 0 HG2 PRO A 46 1.093 -17.556 -8.260 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.577 -19.204 -8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.610 -18.553 -6.147 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.872 -19.758 -6.315 1.00 0.00 H new ATOM 651 N GLY A 47 4.313 -14.977 -7.209 1.00 0.00 N ATOM 652 CA GLY A 47 4.395 -13.521 -7.265 1.00 0.00 C ATOM 653 C GLY A 47 4.539 -12.846 -5.897 1.00 0.00 C ATOM 654 O GLY A 47 5.422 -12.001 -5.731 1.00 0.00 O ATOM 0 H GLY A 47 5.151 -15.425 -7.579 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.245 -13.240 -7.887 1.00 0.00 H new ATOM 0 HA3 GLY A 47 3.500 -13.137 -7.755 1.00 0.00 H new ATOM 658 N LEU A 48 3.695 -13.233 -4.939 1.00 0.00 N ATOM 659 CA LEU A 48 3.470 -12.653 -3.620 1.00 0.00 C ATOM 660 C LEU A 48 4.779 -12.316 -2.901 1.00 0.00 C ATOM 661 O LEU A 48 5.725 -13.108 -2.927 1.00 0.00 O ATOM 662 CB LEU A 48 2.650 -13.678 -2.807 1.00 0.00 C ATOM 663 CG LEU A 48 1.970 -13.093 -1.555 1.00 0.00 C ATOM 664 CD1 LEU A 48 0.682 -12.367 -1.947 1.00 0.00 C ATOM 665 CD2 LEU A 48 1.594 -14.196 -0.556 1.00 0.00 C ATOM 0 H LEU A 48 3.093 -14.043 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 48 2.934 -11.710 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.886 -14.110 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.307 -14.493 -2.503 1.00 0.00 H new ATOM 0 HG LEU A 48 2.680 -12.406 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.209 -11.957 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.917 -11.557 -2.638 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.001 -13.069 -2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.116 -13.750 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.905 -14.896 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.494 -14.727 -0.245 1.00 0.00 H new ATOM 677 N CYS A 49 4.824 -11.180 -2.205 1.00 0.00 N ATOM 678 CA CYS A 49 5.897 -10.788 -1.298 1.00 0.00 C ATOM 679 C CYS A 49 5.316 -10.292 0.026 1.00 0.00 C ATOM 680 O CYS A 49 4.160 -9.870 0.088 1.00 0.00 O ATOM 681 CB CYS A 49 6.725 -9.683 -1.953 1.00 0.00 C ATOM 682 SG CYS A 49 7.729 -10.421 -3.272 1.00 0.00 S ATOM 0 H CYS A 49 4.083 -10.481 -2.262 1.00 0.00 H new ATOM 0 HA CYS A 49 6.532 -11.650 -1.094 1.00 0.00 H new ATOM 0 HB2 CYS A 49 6.072 -8.911 -2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.365 -9.201 -1.214 1.00 0.00 H new ATOM 0 HG CYS A 49 7.320 -11.634 -3.502 1.00 0.00 H new ATOM 688 N GLU A 50 6.132 -10.295 1.086 1.00 0.00 N ATOM 689 CA GLU A 50 5.796 -9.573 2.307 1.00 0.00 C ATOM 690 C GLU A 50 5.645 -8.089 1.973 1.00 0.00 C ATOM 691 O GLU A 50 6.351 -7.565 1.109 1.00 0.00 O ATOM 692 CB GLU A 50 6.871 -9.756 3.387 1.00 0.00 C ATOM 693 CG GLU A 50 6.844 -11.119 4.092 1.00 0.00 C ATOM 694 CD GLU A 50 7.734 -11.150 5.350 1.00 0.00 C ATOM 695 OE1 GLU A 50 8.529 -10.214 5.583 1.00 0.00 O ATOM 696 OE2 GLU A 50 7.659 -12.123 6.138 1.00 0.00 O ATOM 0 H GLU A 50 7.024 -10.788 1.118 1.00 0.00 H new ATOM 0 HA GLU A 50 4.862 -9.973 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.852 -9.617 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 50 6.752 -8.972 4.135 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.818 -11.360 4.370 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.175 -11.891 3.397 1.00 0.00 H new ATOM 703 N GLY A 51 4.738 -7.403 2.670 1.00 0.00 N ATOM 704 CA GLY A 51 4.507 -5.979 2.460 1.00 0.00 C ATOM 705 C GLY A 51 3.761 -5.662 1.160 1.00 0.00 C ATOM 706 O GLY A 51 3.508 -4.489 0.877 1.00 0.00 O ATOM 0 H GLY A 51 4.148 -7.818 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.937 -5.584 3.301 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.466 -5.461 2.454 1.00 0.00 H new ATOM 710 N ASP A 52 3.351 -6.666 0.377 1.00 0.00 N ATOM 711 CA ASP A 52 2.344 -6.461 -0.659 1.00 0.00 C ATOM 712 C ASP A 52 1.069 -6.039 0.066 1.00 0.00 C ATOM 713 O ASP A 52 0.523 -6.808 0.861 1.00 0.00 O ATOM 714 CB ASP A 52 2.090 -7.715 -1.511 1.00 0.00 C ATOM 715 CG ASP A 52 3.178 -8.027 -2.539 1.00 0.00 C ATOM 716 OD1 ASP A 52 4.070 -7.178 -2.782 1.00 0.00 O ATOM 717 OD2 ASP A 52 3.121 -9.119 -3.148 1.00 0.00 O ATOM 0 H ASP A 52 3.701 -7.622 0.443 1.00 0.00 H new ATOM 0 HA ASP A 52 2.690 -5.703 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.982 -8.572 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.141 -7.595 -2.033 1.00 0.00 H new ATOM 722 N LEU A 53 0.643 -4.791 -0.128 1.00 0.00 N ATOM 723 CA LEU A 53 -0.621 -4.284 0.388 1.00 0.00 C ATOM 724 C LEU A 53 -1.718 -4.749 -0.555 1.00 0.00 C ATOM 725 O LEU A 53 -1.590 -4.558 -1.761 1.00 0.00 O ATOM 726 CB LEU A 53 -0.596 -2.757 0.432 1.00 0.00 C ATOM 727 CG LEU A 53 -1.898 -2.187 1.037 1.00 0.00 C ATOM 728 CD1 LEU A 53 -1.703 -1.826 2.503 1.00 0.00 C ATOM 729 CD2 LEU A 53 -2.355 -0.979 0.234 1.00 0.00 C ATOM 0 H LEU A 53 1.175 -4.098 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.794 -4.653 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.257 -2.423 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.460 -2.365 -0.576 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.673 -2.952 0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.634 -1.427 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.418 -2.717 3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.918 -1.075 2.591 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.274 -0.582 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.581 -0.212 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.538 -1.277 -0.798 1.00 0.00 H new ATOM 741 N ILE A 54 -2.781 -5.349 -0.036 1.00 0.00 N ATOM 742 CA ILE A 54 -3.764 -6.058 -0.839 1.00 0.00 C ATOM 743 C ILE A 54 -4.925 -5.117 -1.157 1.00 0.00 C ATOM 744 O ILE A 54 -5.455 -4.456 -0.264 1.00 0.00 O ATOM 745 CB ILE A 54 -4.195 -7.337 -0.088 1.00 0.00 C ATOM 746 CG1 ILE A 54 -2.987 -8.259 0.231 1.00 0.00 C ATOM 747 CG2 ILE A 54 -5.232 -8.138 -0.892 1.00 0.00 C ATOM 748 CD1 ILE A 54 -3.091 -8.869 1.630 1.00 0.00 C ATOM 0 H ILE A 54 -2.986 -5.356 0.963 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.346 -6.375 -1.795 1.00 0.00 H new ATOM 0 HB ILE A 54 -4.641 -7.003 0.849 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.933 -9.057 -0.510 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.062 -7.687 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.513 -9.031 -0.335 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.116 -7.523 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.803 -8.429 -1.851 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.227 -9.507 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.118 -8.072 2.373 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.002 -9.463 1.701 1.00 0.00 H new ATOM 760 N VAL A 55 -5.312 -5.044 -2.428 1.00 0.00 N ATOM 761 CA VAL A 55 -6.254 -4.072 -2.976 1.00 0.00 C ATOM 762 C VAL A 55 -7.562 -4.764 -3.328 1.00 0.00 C ATOM 763 O VAL A 55 -8.619 -4.310 -2.895 1.00 0.00 O ATOM 764 CB VAL A 55 -5.598 -3.388 -4.195 1.00 0.00 C ATOM 765 CG1 VAL A 55 -6.576 -2.555 -5.032 1.00 0.00 C ATOM 766 CG2 VAL A 55 -4.436 -2.512 -3.713 1.00 0.00 C ATOM 0 H VAL A 55 -4.962 -5.690 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.493 -3.302 -2.242 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.239 -4.180 -4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.045 -2.105 -5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.371 -3.198 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.008 -1.769 -4.412 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.968 -2.026 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.812 -1.754 -3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.700 -3.133 -3.201 1.00 0.00 H new ATOM 776 N GLU A 56 -7.499 -5.861 -4.081 1.00 0.00 N ATOM 777 CA GLU A 56 -8.669 -6.588 -4.560 1.00 0.00 C ATOM 778 C GLU A 56 -8.403 -8.085 -4.432 1.00 0.00 C ATOM 779 O GLU A 56 -7.250 -8.522 -4.531 1.00 0.00 O ATOM 780 CB GLU A 56 -8.990 -6.179 -6.009 1.00 0.00 C ATOM 781 CG GLU A 56 -9.796 -4.876 -6.057 1.00 0.00 C ATOM 782 CD GLU A 56 -9.876 -4.278 -7.461 1.00 0.00 C ATOM 783 OE1 GLU A 56 -10.169 -5.031 -8.416 1.00 0.00 O ATOM 784 OE2 GLU A 56 -9.627 -3.055 -7.598 1.00 0.00 O ATOM 0 H GLU A 56 -6.616 -6.275 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.543 -6.341 -3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.062 -6.056 -6.568 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.553 -6.975 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.805 -5.065 -5.690 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.343 -4.149 -5.383 1.00 0.00 H new ATOM 791 N ILE A 57 -9.466 -8.865 -4.228 1.00 0.00 N ATOM 792 CA ILE A 57 -9.484 -10.320 -4.303 1.00 0.00 C ATOM 793 C ILE A 57 -10.688 -10.661 -5.169 1.00 0.00 C ATOM 794 O ILE A 57 -11.790 -10.242 -4.833 1.00 0.00 O ATOM 795 CB ILE A 57 -9.622 -10.983 -2.921 1.00 0.00 C ATOM 796 CG1 ILE A 57 -8.475 -10.562 -1.983 1.00 0.00 C ATOM 797 CG2 ILE A 57 -9.635 -12.517 -3.116 1.00 0.00 C ATOM 798 CD1 ILE A 57 -8.770 -10.922 -0.536 1.00 0.00 C ATOM 0 H ILE A 57 -10.380 -8.477 -3.995 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.545 -10.691 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.552 -10.659 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.551 -11.047 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.314 -9.487 -2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.732 -13.006 -2.147 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -10.477 -12.796 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.705 -12.831 -3.589 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.937 -10.609 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.680 -10.416 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.905 -12.000 -0.450 1.00 0.00 H new ATOM 810 N ASN A 58 -10.493 -11.424 -6.244 1.00 0.00 N ATOM 811 CA ASN A 58 -11.519 -11.822 -7.209 1.00 0.00 C ATOM 812 C ASN A 58 -12.505 -10.663 -7.489 1.00 0.00 C ATOM 813 O ASN A 58 -13.708 -10.804 -7.276 1.00 0.00 O ATOM 814 CB ASN A 58 -12.257 -13.101 -6.765 1.00 0.00 C ATOM 815 CG ASN A 58 -11.387 -14.341 -6.588 1.00 0.00 C ATOM 816 OD1 ASN A 58 -10.479 -14.642 -7.365 1.00 0.00 O ATOM 817 ND2 ASN A 58 -11.677 -15.136 -5.572 1.00 0.00 N ATOM 0 H ASN A 58 -9.574 -11.799 -6.477 1.00 0.00 H new ATOM 0 HA ASN A 58 -11.012 -12.056 -8.145 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -12.763 -12.897 -5.821 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -13.031 -13.325 -7.499 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.149 -15.998 -5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.428 -14.888 -4.928 1.00 0.00 H new ATOM 824 N GLN A 59 -11.981 -9.499 -7.894 1.00 0.00 N ATOM 825 CA GLN A 59 -12.666 -8.227 -8.170 1.00 0.00 C ATOM 826 C GLN A 59 -13.404 -7.577 -6.989 1.00 0.00 C ATOM 827 O GLN A 59 -13.828 -6.427 -7.108 1.00 0.00 O ATOM 828 CB GLN A 59 -13.542 -8.326 -9.435 1.00 0.00 C ATOM 829 CG GLN A 59 -12.695 -8.584 -10.693 1.00 0.00 C ATOM 830 CD GLN A 59 -13.501 -8.611 -11.990 1.00 0.00 C ATOM 831 OE1 GLN A 59 -14.659 -8.201 -12.065 1.00 0.00 O ATOM 832 NE2 GLN A 59 -12.902 -9.072 -13.074 1.00 0.00 N ATOM 0 H GLN A 59 -10.977 -9.415 -8.051 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.856 -7.523 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.268 -9.130 -9.313 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -14.107 -7.402 -9.560 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.930 -7.811 -10.769 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.176 -9.536 -10.580 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.942 -9.414 -13.020 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -13.399 -9.086 -13.964 1.00 0.00 H new ATOM 841 N GLN A 60 -13.521 -8.223 -5.830 1.00 0.00 N ATOM 842 CA GLN A 60 -14.051 -7.597 -4.636 1.00 0.00 C ATOM 843 C GLN A 60 -13.010 -6.610 -4.118 1.00 0.00 C ATOM 844 O GLN A 60 -11.852 -6.987 -3.903 1.00 0.00 O ATOM 845 CB GLN A 60 -14.448 -8.680 -3.625 1.00 0.00 C ATOM 846 CG GLN A 60 -14.882 -8.109 -2.271 1.00 0.00 C ATOM 847 CD GLN A 60 -15.641 -9.103 -1.377 1.00 0.00 C ATOM 848 OE1 GLN A 60 -15.996 -8.771 -0.249 1.00 0.00 O ATOM 849 NE2 GLN A 60 -15.943 -10.323 -1.809 1.00 0.00 N ATOM 0 H GLN A 60 -13.248 -9.197 -5.700 1.00 0.00 H new ATOM 0 HA GLN A 60 -14.961 -7.031 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -15.262 -9.275 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.605 -9.355 -3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.998 -7.761 -1.737 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -15.514 -7.238 -2.443 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.658 -10.619 -2.743 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.460 -10.964 -1.207 1.00 0.00 H new ATOM 858 N ASN A 61 -13.412 -5.347 -3.941 1.00 0.00 N ATOM 859 CA ASN A 61 -12.561 -4.345 -3.312 1.00 0.00 C ATOM 860 C ASN A 61 -12.283 -4.763 -1.878 1.00 0.00 C ATOM 861 O ASN A 61 -13.213 -5.050 -1.126 1.00 0.00 O ATOM 862 CB ASN A 61 -13.201 -2.952 -3.302 1.00 0.00 C ATOM 863 CG ASN A 61 -12.207 -1.948 -2.730 1.00 0.00 C ATOM 864 OD1 ASN A 61 -12.083 -1.770 -1.520 1.00 0.00 O ATOM 865 ND2 ASN A 61 -11.399 -1.343 -3.582 1.00 0.00 N ATOM 0 H ASN A 61 -14.327 -4.998 -4.228 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.642 -4.284 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.487 -2.663 -4.313 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -14.112 -2.961 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.666 -0.723 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -11.508 -1.496 -4.585 1.00 0.00 H new ATOM 872 N VAL A 62 -11.011 -4.760 -1.493 1.00 0.00 N ATOM 873 CA VAL A 62 -10.584 -4.993 -0.125 1.00 0.00 C ATOM 874 C VAL A 62 -9.648 -3.882 0.379 1.00 0.00 C ATOM 875 O VAL A 62 -9.191 -3.949 1.520 1.00 0.00 O ATOM 876 CB VAL A 62 -10.047 -6.429 0.030 1.00 0.00 C ATOM 877 CG1 VAL A 62 -11.076 -7.497 -0.375 1.00 0.00 C ATOM 878 CG2 VAL A 62 -8.795 -6.718 -0.791 1.00 0.00 C ATOM 0 H VAL A 62 -10.238 -4.592 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 62 -11.444 -4.930 0.542 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.815 -6.485 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -10.642 -8.488 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -11.963 -7.404 0.252 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -11.354 -7.357 -1.420 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -8.482 -7.749 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -9.011 -6.569 -1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.996 -6.043 -0.486 1.00 0.00 H new ATOM 888 N GLN A 63 -9.398 -2.824 -0.411 1.00 0.00 N ATOM 889 CA GLN A 63 -8.787 -1.569 0.044 1.00 0.00 C ATOM 890 C GLN A 63 -9.508 -1.029 1.281 1.00 0.00 C ATOM 891 O GLN A 63 -8.865 -0.500 2.189 1.00 0.00 O ATOM 892 CB GLN A 63 -8.862 -0.509 -1.076 1.00 0.00 C ATOM 893 CG GLN A 63 -7.644 -0.384 -1.998 1.00 0.00 C ATOM 894 CD GLN A 63 -6.795 0.838 -1.653 1.00 0.00 C ATOM 895 OE1 GLN A 63 -7.042 1.953 -2.118 1.00 0.00 O ATOM 896 NE2 GLN A 63 -5.789 0.667 -0.820 1.00 0.00 N ATOM 0 H GLN A 63 -9.621 -2.820 -1.406 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.747 -1.774 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.733 -0.729 -1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -9.037 0.462 -0.612 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.034 -1.284 -1.919 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -7.977 -0.314 -3.033 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.593 -0.259 -0.441 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.206 1.461 -0.554 1.00 0.00 H new ATOM 905 N ASN A 64 -10.835 -1.155 1.303 1.00 0.00 N ATOM 906 CA ASN A 64 -11.697 -0.483 2.266 1.00 0.00 C ATOM 907 C ASN A 64 -12.209 -1.470 3.325 1.00 0.00 C ATOM 908 O ASN A 64 -13.269 -1.226 3.902 1.00 0.00 O ATOM 909 CB ASN A 64 -12.857 0.213 1.517 1.00 0.00 C ATOM 910 CG ASN A 64 -12.442 1.357 0.588 1.00 0.00 C ATOM 911 OD1 ASN A 64 -11.270 1.661 0.385 1.00 0.00 O ATOM 912 ND2 ASN A 64 -13.404 2.059 0.017 1.00 0.00 N ATOM 0 H ASN A 64 -11.346 -1.737 0.640 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.125 0.278 2.796 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -13.389 -0.535 0.930 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -13.562 0.601 2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.171 2.847 -0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -14.380 1.813 0.180 1.00 0.00 H new ATOM 919 N LEU A 65 -11.547 -2.617 3.547 1.00 0.00 N ATOM 920 CA LEU A 65 -12.046 -3.696 4.403 1.00 0.00 C ATOM 921 C LEU A 65 -11.161 -3.983 5.611 1.00 0.00 C ATOM 922 O LEU A 65 -9.936 -3.852 5.570 1.00 0.00 O ATOM 923 CB LEU A 65 -12.224 -4.992 3.599 1.00 0.00 C ATOM 924 CG LEU A 65 -13.409 -5.005 2.622 1.00 0.00 C ATOM 925 CD1 LEU A 65 -13.611 -6.441 2.139 1.00 0.00 C ATOM 926 CD2 LEU A 65 -14.722 -4.522 3.242 1.00 0.00 C ATOM 0 H LEU A 65 -10.639 -2.820 3.130 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.006 -3.343 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.309 -5.179 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.343 -5.820 4.298 1.00 0.00 H new ATOM 0 HG LEU A 65 -13.165 -4.318 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -14.449 -6.476 1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.707 -6.787 1.637 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.821 -7.086 2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -15.513 -4.559 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -14.986 -5.165 4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -14.603 -3.497 3.594 1.00 0.00 H new ATOM 938 N SER A 66 -11.833 -4.448 6.667 1.00 0.00 N ATOM 939 CA SER A 66 -11.238 -4.872 7.924 1.00 0.00 C ATOM 940 C SER A 66 -10.443 -6.157 7.704 1.00 0.00 C ATOM 941 O SER A 66 -10.785 -6.951 6.827 1.00 0.00 O ATOM 942 CB SER A 66 -12.360 -5.119 8.940 1.00 0.00 C ATOM 943 OG SER A 66 -13.275 -4.028 8.984 1.00 0.00 O ATOM 0 H SER A 66 -12.849 -4.541 6.663 1.00 0.00 H new ATOM 0 HA SER A 66 -10.565 -4.101 8.299 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.894 -6.033 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.929 -5.274 9.929 1.00 0.00 H new ATOM 0 HG SER A 66 -13.978 -4.217 9.639 1.00 0.00 H new ATOM 949 N HIS A 67 -9.437 -6.413 8.536 1.00 0.00 N ATOM 950 CA HIS A 67 -8.600 -7.598 8.431 1.00 0.00 C ATOM 951 C HIS A 67 -9.426 -8.872 8.351 1.00 0.00 C ATOM 952 O HIS A 67 -9.237 -9.655 7.423 1.00 0.00 O ATOM 953 CB HIS A 67 -7.599 -7.600 9.593 1.00 0.00 C ATOM 954 CG HIS A 67 -6.742 -8.830 9.646 1.00 0.00 C ATOM 955 ND1 HIS A 67 -5.486 -8.912 9.103 1.00 0.00 N ATOM 956 CD2 HIS A 67 -7.056 -10.043 10.202 1.00 0.00 C ATOM 957 CE1 HIS A 67 -5.023 -10.143 9.371 1.00 0.00 C ATOM 958 NE2 HIS A 67 -5.940 -10.869 10.032 1.00 0.00 N ATOM 0 H HIS A 67 -9.180 -5.797 9.307 1.00 0.00 H new ATOM 0 HA HIS A 67 -8.040 -7.568 7.497 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -6.957 -6.723 9.510 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -8.145 -7.507 10.532 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -4.996 -8.177 8.592 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -7.987 -10.310 10.680 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.043 -10.502 9.092 1.00 0.00 H new ATOM 966 N THR A 68 -10.356 -9.081 9.280 1.00 0.00 N ATOM 967 CA THR A 68 -11.128 -10.305 9.313 1.00 0.00 C ATOM 968 C THR A 68 -12.004 -10.463 8.063 1.00 0.00 C ATOM 969 O THR A 68 -12.278 -11.589 7.677 1.00 0.00 O ATOM 970 CB THR A 68 -11.945 -10.329 10.606 1.00 0.00 C ATOM 971 OG1 THR A 68 -11.119 -10.022 11.719 1.00 0.00 O ATOM 972 CG2 THR A 68 -12.521 -11.709 10.869 1.00 0.00 C ATOM 0 H THR A 68 -10.588 -8.414 10.016 1.00 0.00 H new ATOM 0 HA THR A 68 -10.454 -11.162 9.304 1.00 0.00 H new ATOM 0 HB THR A 68 -12.743 -9.596 10.485 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.655 -10.039 12.539 1.00 0.00 H new ATOM 0 HG21 THR A 68 -13.096 -11.693 11.795 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.172 -11.995 10.043 1.00 0.00 H new ATOM 0 HG23 THR A 68 -11.709 -12.431 10.959 1.00 0.00 H new ATOM 980 N GLU A 69 -12.377 -9.383 7.380 1.00 0.00 N ATOM 981 CA GLU A 69 -13.195 -9.435 6.172 1.00 0.00 C ATOM 982 C GLU A 69 -12.355 -9.951 5.009 1.00 0.00 C ATOM 983 O GLU A 69 -12.806 -10.783 4.229 1.00 0.00 O ATOM 984 CB GLU A 69 -13.717 -8.034 5.857 1.00 0.00 C ATOM 985 CG GLU A 69 -14.587 -7.469 6.978 1.00 0.00 C ATOM 986 CD GLU A 69 -16.058 -7.726 6.710 1.00 0.00 C ATOM 987 OE1 GLU A 69 -16.509 -8.874 6.935 1.00 0.00 O ATOM 988 OE2 GLU A 69 -16.723 -6.779 6.235 1.00 0.00 O ATOM 0 H GLU A 69 -12.116 -8.436 7.654 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.038 -10.108 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.873 -7.366 5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.295 -8.064 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.302 -7.923 7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.413 -6.397 7.072 1.00 0.00 H new ATOM 995 N VAL A 70 -11.113 -9.482 4.906 1.00 0.00 N ATOM 996 CA VAL A 70 -10.161 -9.939 3.904 1.00 0.00 C ATOM 997 C VAL A 70 -9.829 -11.416 4.150 1.00 0.00 C ATOM 998 O VAL A 70 -9.786 -12.207 3.206 1.00 0.00 O ATOM 999 CB VAL A 70 -8.947 -8.994 3.934 1.00 0.00 C ATOM 1000 CG1 VAL A 70 -7.871 -9.358 2.910 1.00 0.00 C ATOM 1001 CG2 VAL A 70 -9.413 -7.550 3.663 1.00 0.00 C ATOM 0 H VAL A 70 -10.738 -8.764 5.526 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.570 -9.898 2.894 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.503 -9.091 4.925 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.044 -8.652 2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.507 -10.366 3.108 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.295 -9.316 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.553 -6.880 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.889 -7.499 2.684 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.127 -7.248 4.429 1.00 0.00 H new ATOM 1011 N VAL A 71 -9.665 -11.815 5.414 1.00 0.00 N ATOM 1012 CA VAL A 71 -9.574 -13.217 5.811 1.00 0.00 C ATOM 1013 C VAL A 71 -10.813 -13.968 5.320 1.00 0.00 C ATOM 1014 O VAL A 71 -10.683 -15.059 4.769 1.00 0.00 O ATOM 1015 CB VAL A 71 -9.410 -13.305 7.343 1.00 0.00 C ATOM 1016 CG1 VAL A 71 -9.573 -14.716 7.912 1.00 0.00 C ATOM 1017 CG2 VAL A 71 -8.058 -12.741 7.770 1.00 0.00 C ATOM 0 H VAL A 71 -9.591 -11.165 6.196 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.702 -13.686 5.356 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.223 -12.707 7.755 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.443 -14.689 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -10.569 -15.091 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.824 -15.374 7.472 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.960 -12.811 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.260 -13.312 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.987 -11.697 7.466 1.00 0.00 H new ATOM 1027 N ASP A 72 -11.996 -13.395 5.528 1.00 0.00 N ATOM 1028 CA ASP A 72 -13.288 -14.024 5.240 1.00 0.00 C ATOM 1029 C ASP A 72 -13.430 -14.319 3.749 1.00 0.00 C ATOM 1030 O ASP A 72 -13.886 -15.392 3.356 1.00 0.00 O ATOM 1031 CB ASP A 72 -14.474 -13.166 5.726 1.00 0.00 C ATOM 1032 CG ASP A 72 -15.515 -14.027 6.433 1.00 0.00 C ATOM 1033 OD1 ASP A 72 -16.073 -14.942 5.789 1.00 0.00 O ATOM 1034 OD2 ASP A 72 -15.691 -13.867 7.665 1.00 0.00 O ATOM 0 H ASP A 72 -12.088 -12.455 5.912 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.311 -14.964 5.792 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.114 -12.393 6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.932 -12.658 4.878 1.00 0.00 H new ATOM 1039 N ILE A 73 -13.010 -13.385 2.898 1.00 0.00 N ATOM 1040 CA ILE A 73 -13.043 -13.541 1.445 1.00 0.00 C ATOM 1041 C ILE A 73 -12.060 -14.639 1.055 1.00 0.00 C ATOM 1042 O ILE A 73 -12.390 -15.528 0.273 1.00 0.00 O ATOM 1043 CB ILE A 73 -12.723 -12.195 0.769 1.00 0.00 C ATOM 1044 CG1 ILE A 73 -13.809 -11.168 1.145 1.00 0.00 C ATOM 1045 CG2 ILE A 73 -12.661 -12.318 -0.766 1.00 0.00 C ATOM 1046 CD1 ILE A 73 -13.280 -9.739 1.087 1.00 0.00 C ATOM 0 H ILE A 73 -12.633 -12.487 3.202 1.00 0.00 H new ATOM 0 HA ILE A 73 -14.036 -13.837 1.106 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.743 -11.872 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -14.656 -11.270 0.467 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -14.177 -11.379 2.149 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.433 -11.345 -1.200 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.884 -13.030 -1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -13.623 -12.666 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.076 -9.045 1.359 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.450 -9.630 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -12.936 -9.519 0.076 1.00 0.00 H new ATOM 1058 N LEU A 74 -10.856 -14.630 1.632 1.00 0.00 N ATOM 1059 CA LEU A 74 -9.914 -15.708 1.393 1.00 0.00 C ATOM 1060 C LEU A 74 -10.473 -17.046 1.898 1.00 0.00 C ATOM 1061 O LEU A 74 -10.145 -18.067 1.303 1.00 0.00 O ATOM 1062 CB LEU A 74 -8.537 -15.404 2.001 1.00 0.00 C ATOM 1063 CG LEU A 74 -7.795 -14.207 1.373 1.00 0.00 C ATOM 1064 CD1 LEU A 74 -6.582 -13.841 2.236 1.00 0.00 C ATOM 1065 CD2 LEU A 74 -7.319 -14.491 -0.059 1.00 0.00 C ATOM 0 H LEU A 74 -10.521 -13.897 2.257 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.773 -15.792 0.315 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -8.661 -15.216 3.067 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.911 -16.291 1.905 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.504 -13.381 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.060 -12.995 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.916 -13.573 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.906 -14.694 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.803 -13.615 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.637 -15.341 -0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.178 -14.719 -0.690 1.00 0.00 H new ATOM 1077 N LYS A 75 -11.286 -17.112 2.961 1.00 0.00 N ATOM 1078 CA LYS A 75 -11.942 -18.358 3.365 1.00 0.00 C ATOM 1079 C LYS A 75 -12.999 -18.767 2.349 1.00 0.00 C ATOM 1080 O LYS A 75 -13.124 -19.965 2.091 1.00 0.00 O ATOM 1081 CB LYS A 75 -12.617 -18.205 4.729 1.00 0.00 C ATOM 1082 CG LYS A 75 -11.648 -18.114 5.903 1.00 0.00 C ATOM 1083 CD LYS A 75 -12.400 -17.505 7.064 1.00 0.00 C ATOM 1084 CE LYS A 75 -11.661 -17.751 8.360 1.00 0.00 C ATOM 1085 NZ LYS A 75 -12.484 -17.441 9.543 1.00 0.00 N ATOM 0 H LYS A 75 -11.504 -16.313 3.557 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.169 -19.124 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.238 -17.309 4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.284 -19.053 4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.270 -19.102 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.785 -17.502 5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.521 -16.433 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.401 -17.933 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.346 -18.793 8.403 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.756 -17.143 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.934 -17.625 10.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.764 -16.440 9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.335 -18.039 9.540 1.00 0.00 H new ATOM 1099 N ASP A 76 -13.760 -17.817 1.809 1.00 0.00 N ATOM 1100 CA ASP A 76 -14.785 -18.058 0.797 1.00 0.00 C ATOM 1101 C ASP A 76 -14.172 -18.684 -0.461 1.00 0.00 C ATOM 1102 O ASP A 76 -14.770 -19.600 -1.027 1.00 0.00 O ATOM 1103 CB ASP A 76 -15.525 -16.750 0.482 1.00 0.00 C ATOM 1104 CG ASP A 76 -16.577 -16.932 -0.610 1.00 0.00 C ATOM 1105 OD1 ASP A 76 -17.584 -17.628 -0.346 1.00 0.00 O ATOM 1106 OD2 ASP A 76 -16.396 -16.350 -1.704 1.00 0.00 O ATOM 0 H ASP A 76 -13.678 -16.834 2.070 1.00 0.00 H new ATOM 0 HA ASP A 76 -15.511 -18.771 1.187 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -16.004 -16.378 1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.805 -15.994 0.169 1.00 0.00 H new ATOM 1111 N CYS A 77 -12.953 -18.268 -0.833 1.00 0.00 N ATOM 1112 CA CYS A 77 -12.237 -18.783 -2.001 1.00 0.00 C ATOM 1113 C CYS A 77 -12.088 -20.314 -1.943 1.00 0.00 C ATOM 1114 O CYS A 77 -11.717 -20.859 -0.895 1.00 0.00 O ATOM 1115 CB CYS A 77 -10.851 -18.153 -2.119 1.00 0.00 C ATOM 1116 SG CYS A 77 -10.936 -16.356 -2.368 1.00 0.00 S ATOM 0 H CYS A 77 -12.433 -17.555 -0.322 1.00 0.00 H new ATOM 0 HA CYS A 77 -12.831 -18.518 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.278 -18.367 -1.217 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.316 -18.609 -2.952 1.00 0.00 H new ATOM 0 HG CYS A 77 -11.526 -15.804 -1.350 1.00 0.00 H new ATOM 1122 N PRO A 78 -12.308 -21.013 -3.068 1.00 0.00 N ATOM 1123 CA PRO A 78 -12.155 -22.454 -3.176 1.00 0.00 C ATOM 1124 C PRO A 78 -10.711 -22.884 -2.939 1.00 0.00 C ATOM 1125 O PRO A 78 -9.754 -22.210 -3.327 1.00 0.00 O ATOM 1126 CB PRO A 78 -12.629 -22.847 -4.578 1.00 0.00 C ATOM 1127 CG PRO A 78 -12.952 -21.542 -5.309 1.00 0.00 C ATOM 1128 CD PRO A 78 -12.704 -20.418 -4.326 1.00 0.00 C ATOM 0 HA PRO A 78 -12.747 -22.958 -2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.857 -23.407 -5.106 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -13.508 -23.490 -4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -12.324 -21.428 -6.193 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.987 -21.536 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -11.925 -19.751 -4.696 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.604 -19.816 -4.198 1.00 0.00 H new ATOM 1136 N ILE A 79 -10.561 -24.039 -2.301 1.00 0.00 N ATOM 1137 CA ILE A 79 -9.303 -24.745 -2.181 1.00 0.00 C ATOM 1138 C ILE A 79 -9.038 -25.429 -3.522 1.00 0.00 C ATOM 1139 O ILE A 79 -9.927 -26.084 -4.077 1.00 0.00 O ATOM 1140 CB ILE A 79 -9.386 -25.693 -0.968 1.00 0.00 C ATOM 1141 CG1 ILE A 79 -9.156 -24.843 0.300 1.00 0.00 C ATOM 1142 CG2 ILE A 79 -8.340 -26.815 -1.046 1.00 0.00 C ATOM 1143 CD1 ILE A 79 -9.271 -25.607 1.617 1.00 0.00 C ATOM 0 H ILE A 79 -11.336 -24.518 -1.842 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.452 -24.093 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 79 -10.364 -26.174 -0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.165 -24.393 0.243 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.877 -24.025 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.433 -27.460 -0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.503 -27.402 -1.950 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.341 -26.380 -1.071 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.094 -24.926 2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -10.270 -26.034 1.704 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.531 -26.407 1.639 1.00 0.00 H new ATOM 1155 N GLY A 80 -7.805 -25.303 -4.014 1.00 0.00 N ATOM 1156 CA GLY A 80 -7.370 -25.912 -5.261 1.00 0.00 C ATOM 1157 C GLY A 80 -7.968 -25.231 -6.486 1.00 0.00 C ATOM 1158 O GLY A 80 -8.145 -25.883 -7.513 1.00 0.00 O ATOM 0 H GLY A 80 -7.074 -24.766 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -6.282 -25.870 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.649 -26.966 -5.263 1.00 0.00 H new ATOM 1162 N SER A 81 -8.280 -23.941 -6.391 1.00 0.00 N ATOM 1163 CA SER A 81 -8.598 -23.103 -7.533 1.00 0.00 C ATOM 1164 C SER A 81 -7.747 -21.837 -7.435 1.00 0.00 C ATOM 1165 O SER A 81 -7.256 -21.483 -6.351 1.00 0.00 O ATOM 1166 CB SER A 81 -10.097 -22.799 -7.549 1.00 0.00 C ATOM 1167 OG SER A 81 -10.868 -23.992 -7.518 1.00 0.00 O ATOM 0 H SER A 81 -8.318 -23.445 -5.501 1.00 0.00 H new ATOM 0 HA SER A 81 -8.370 -23.606 -8.473 1.00 0.00 H new ATOM 0 HB2 SER A 81 -10.353 -22.176 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 81 -10.344 -22.227 -8.443 1.00 0.00 H new ATOM 0 HG SER A 81 -11.821 -23.766 -7.528 1.00 0.00 H new ATOM 1173 N GLU A 82 -7.580 -21.150 -8.562 1.00 0.00 N ATOM 1174 CA GLU A 82 -6.835 -19.914 -8.609 1.00 0.00 C ATOM 1175 C GLU A 82 -7.683 -18.806 -8.000 1.00 0.00 C ATOM 1176 O GLU A 82 -8.864 -18.641 -8.319 1.00 0.00 O ATOM 1177 CB GLU A 82 -6.430 -19.546 -10.044 1.00 0.00 C ATOM 1178 CG GLU A 82 -4.999 -19.977 -10.384 1.00 0.00 C ATOM 1179 CD GLU A 82 -4.839 -21.331 -11.067 1.00 0.00 C ATOM 1180 OE1 GLU A 82 -5.510 -22.316 -10.690 1.00 0.00 O ATOM 1181 OE2 GLU A 82 -3.992 -21.366 -11.991 1.00 0.00 O ATOM 0 H GLU A 82 -7.960 -21.441 -9.462 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.915 -20.041 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.122 -20.014 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.522 -18.468 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.558 -19.216 -11.028 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.419 -19.990 -9.462 1.00 0.00 H new ATOM 1188 N THR A 83 -7.058 -18.002 -7.154 1.00 0.00 N ATOM 1189 CA THR A 83 -7.594 -16.757 -6.637 1.00 0.00 C ATOM 1190 C THR A 83 -6.860 -15.629 -7.360 1.00 0.00 C ATOM 1191 O THR A 83 -5.629 -15.657 -7.426 1.00 0.00 O ATOM 1192 CB THR A 83 -7.368 -16.727 -5.123 1.00 0.00 C ATOM 1193 OG1 THR A 83 -7.804 -17.946 -4.549 1.00 0.00 O ATOM 1194 CG2 THR A 83 -8.125 -15.573 -4.471 1.00 0.00 C ATOM 0 H THR A 83 -6.126 -18.209 -6.796 1.00 0.00 H new ATOM 0 HA THR A 83 -8.665 -16.649 -6.808 1.00 0.00 H new ATOM 0 HB THR A 83 -6.301 -16.588 -4.948 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.510 -17.765 -3.894 1.00 0.00 H new ATOM 0 HG21 THR A 83 -7.943 -15.580 -3.396 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.780 -14.628 -4.891 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.193 -15.686 -4.659 1.00 0.00 H new ATOM 1202 N SER A 84 -7.602 -14.669 -7.911 1.00 0.00 N ATOM 1203 CA SER A 84 -7.073 -13.477 -8.540 1.00 0.00 C ATOM 1204 C SER A 84 -6.921 -12.471 -7.410 1.00 0.00 C ATOM 1205 O SER A 84 -7.824 -12.375 -6.571 1.00 0.00 O ATOM 1206 CB SER A 84 -8.080 -12.952 -9.574 1.00 0.00 C ATOM 1207 OG SER A 84 -8.517 -13.968 -10.463 1.00 0.00 O ATOM 0 H SER A 84 -8.621 -14.709 -7.928 1.00 0.00 H new ATOM 0 HA SER A 84 -6.131 -13.661 -9.056 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.941 -12.529 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.623 -12.144 -10.145 1.00 0.00 H new ATOM 0 HG SER A 84 -9.157 -13.591 -11.102 1.00 0.00 H new ATOM 1213 N LEU A 85 -5.804 -11.752 -7.341 1.00 0.00 N ATOM 1214 CA LEU A 85 -5.649 -10.664 -6.388 1.00 0.00 C ATOM 1215 C LEU A 85 -5.023 -9.468 -7.088 1.00 0.00 C ATOM 1216 O LEU A 85 -4.474 -9.604 -8.183 1.00 0.00 O ATOM 1217 CB LEU A 85 -4.776 -11.069 -5.184 1.00 0.00 C ATOM 1218 CG LEU A 85 -5.502 -11.949 -4.156 1.00 0.00 C ATOM 1219 CD1 LEU A 85 -5.286 -13.430 -4.439 1.00 0.00 C ATOM 1220 CD2 LEU A 85 -4.965 -11.685 -2.744 1.00 0.00 C ATOM 0 H LEU A 85 -4.991 -11.906 -7.938 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.639 -10.409 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.898 -11.602 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.419 -10.167 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.561 -11.700 -4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.814 -14.024 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.669 -13.671 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.221 -13.657 -4.396 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.492 -12.318 -2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.899 -11.911 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.122 -10.638 -2.485 1.00 0.00 H new ATOM 1232 N ILE A 86 -5.045 -8.314 -6.431 1.00 0.00 N ATOM 1233 CA ILE A 86 -4.348 -7.104 -6.840 1.00 0.00 C ATOM 1234 C ILE A 86 -3.629 -6.566 -5.608 1.00 0.00 C ATOM 1235 O ILE A 86 -4.184 -6.626 -4.504 1.00 0.00 O ATOM 1236 CB ILE A 86 -5.353 -6.101 -7.437 1.00 0.00 C ATOM 1237 CG1 ILE A 86 -6.150 -6.769 -8.579 1.00 0.00 C ATOM 1238 CG2 ILE A 86 -4.648 -4.858 -7.962 1.00 0.00 C ATOM 1239 CD1 ILE A 86 -6.802 -5.844 -9.604 1.00 0.00 C ATOM 0 H ILE A 86 -5.570 -8.193 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.613 -7.296 -7.622 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.036 -5.797 -6.644 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -5.479 -7.444 -9.111 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -6.932 -7.383 -8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.385 -4.170 -8.377 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.115 -4.370 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.939 -5.143 -8.740 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.329 -6.440 -10.349 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -7.509 -5.185 -9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.034 -5.246 -10.095 1.00 0.00 H new ATOM 1251 N ILE A 87 -2.412 -6.041 -5.780 1.00 0.00 N ATOM 1252 CA ILE A 87 -1.609 -5.465 -4.716 1.00 0.00 C ATOM 1253 C ILE A 87 -1.088 -4.081 -5.128 1.00 0.00 C ATOM 1254 O ILE A 87 -0.876 -3.782 -6.308 1.00 0.00 O ATOM 1255 CB ILE A 87 -0.509 -6.455 -4.249 1.00 0.00 C ATOM 1256 CG1 ILE A 87 0.671 -6.617 -5.236 1.00 0.00 C ATOM 1257 CG2 ILE A 87 -1.117 -7.836 -3.929 1.00 0.00 C ATOM 1258 CD1 ILE A 87 1.772 -5.566 -5.032 1.00 0.00 C ATOM 0 H ILE A 87 -1.953 -6.008 -6.690 1.00 0.00 H new ATOM 0 HA ILE A 87 -2.231 -5.298 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.090 -6.009 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.100 -7.612 -5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.296 -6.549 -6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.328 -8.514 -3.604 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.857 -7.733 -3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.596 -8.238 -4.822 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.572 -5.732 -5.754 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.355 -4.569 -5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 87 2.172 -5.650 -4.021 1.00 0.00 H new ATOM 1270 N HIS A 88 -0.885 -3.225 -4.131 1.00 0.00 N ATOM 1271 CA HIS A 88 -0.460 -1.841 -4.264 1.00 0.00 C ATOM 1272 C HIS A 88 1.062 -1.827 -4.389 1.00 0.00 C ATOM 1273 O HIS A 88 1.789 -1.945 -3.397 1.00 0.00 O ATOM 1274 CB HIS A 88 -0.991 -1.045 -3.060 1.00 0.00 C ATOM 1275 CG HIS A 88 -1.437 0.385 -3.252 1.00 0.00 C ATOM 1276 ND1 HIS A 88 -1.850 1.196 -2.219 1.00 0.00 N ATOM 1277 CD2 HIS A 88 -1.618 1.085 -4.415 1.00 0.00 C ATOM 1278 CE1 HIS A 88 -2.302 2.343 -2.741 1.00 0.00 C ATOM 1279 NE2 HIS A 88 -2.153 2.335 -4.075 1.00 0.00 N ATOM 0 H HIS A 88 -1.021 -3.496 -3.157 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.864 -1.362 -5.156 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -1.836 -1.598 -2.650 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.211 -1.044 -2.299 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.390 0.737 -5.412 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -2.725 3.157 -2.171 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -2.385 3.093 -4.717 1.00 0.00 H new ATOM 1287 N ARG A 89 1.533 -1.757 -5.634 1.00 0.00 N ATOM 1288 CA ARG A 89 2.919 -1.488 -5.990 1.00 0.00 C ATOM 1289 C ARG A 89 2.914 -0.809 -7.350 1.00 0.00 C ATOM 1290 O ARG A 89 3.132 0.399 -7.428 1.00 0.00 O ATOM 1291 CB ARG A 89 3.741 -2.780 -5.911 1.00 0.00 C ATOM 1292 CG ARG A 89 5.203 -2.626 -6.327 1.00 0.00 C ATOM 1293 CD ARG A 89 5.998 -3.728 -5.627 1.00 0.00 C ATOM 1294 NE ARG A 89 7.329 -3.861 -6.206 1.00 0.00 N ATOM 1295 CZ ARG A 89 8.282 -4.696 -5.786 1.00 0.00 C ATOM 1296 NH1 ARG A 89 8.189 -5.288 -4.597 1.00 0.00 N ATOM 1297 NH2 ARG A 89 9.327 -4.955 -6.555 1.00 0.00 N ATOM 0 H ARG A 89 0.935 -1.892 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 89 3.408 -0.810 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 89 3.705 -3.157 -4.889 1.00 0.00 H new ATOM 0 HB3 ARG A 89 3.273 -3.533 -6.545 1.00 0.00 H new ATOM 0 HG2 ARG A 89 5.304 -2.708 -7.409 1.00 0.00 H new ATOM 0 HG3 ARG A 89 5.580 -1.643 -6.045 1.00 0.00 H new ATOM 0 HD2 ARG A 89 6.081 -3.502 -4.564 1.00 0.00 H new ATOM 0 HD3 ARG A 89 5.465 -4.675 -5.711 1.00 0.00 H new ATOM 0 HE ARG A 89 7.552 -3.264 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.384 -5.105 -3.998 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.923 -5.924 -4.285 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.406 -4.516 -7.472 1.00 0.00 H new ATOM 0 HH22 ARG A 89 10.053 -5.594 -6.231 1.00 0.00 H new ATOM 1311 N GLY A 90 2.572 -1.564 -8.393 1.00 0.00 N ATOM 1312 CA GLY A 90 2.572 -1.057 -9.758 1.00 0.00 C ATOM 1313 C GLY A 90 3.987 -0.664 -10.180 1.00 0.00 C ATOM 1314 O GLY A 90 4.971 -1.018 -9.525 1.00 0.00 O ATOM 0 H GLY A 90 2.289 -2.541 -8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.182 -1.817 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.911 -0.194 -9.832 1.00 0.00 H new ATOM 1318 N SER A 91 4.099 0.047 -11.293 1.00 0.00 N ATOM 1319 CA SER A 91 5.336 0.637 -11.772 1.00 0.00 C ATOM 1320 C SER A 91 5.783 1.744 -10.808 1.00 0.00 C ATOM 1321 O SER A 91 5.026 2.677 -10.530 1.00 0.00 O ATOM 1322 CB SER A 91 5.120 1.131 -13.214 1.00 0.00 C ATOM 1323 OG SER A 91 3.766 1.464 -13.506 1.00 0.00 O ATOM 0 H SER A 91 3.305 0.234 -11.905 1.00 0.00 H new ATOM 0 HA SER A 91 6.143 -0.095 -11.797 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.746 2.006 -13.387 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.453 0.359 -13.907 1.00 0.00 H new ATOM 0 HG SER A 91 3.698 1.771 -14.434 1.00 0.00 H new ATOM 1329 N GLY A 92 7.005 1.653 -10.283 1.00 0.00 N ATOM 1330 CA GLY A 92 7.651 2.705 -9.512 1.00 0.00 C ATOM 1331 C GLY A 92 9.075 2.300 -9.132 1.00 0.00 C ATOM 1332 O GLY A 92 9.461 1.135 -9.298 1.00 0.00 O ATOM 0 H GLY A 92 7.585 0.821 -10.388 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.673 3.627 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.073 2.909 -8.611 1.00 0.00 H new ATOM 1336 N PRO A 93 9.871 3.242 -8.606 1.00 0.00 N ATOM 1337 CA PRO A 93 11.293 3.041 -8.394 1.00 0.00 C ATOM 1338 C PRO A 93 11.538 2.004 -7.303 1.00 0.00 C ATOM 1339 O PRO A 93 10.891 2.001 -6.248 1.00 0.00 O ATOM 1340 CB PRO A 93 11.868 4.415 -8.037 1.00 0.00 C ATOM 1341 CG PRO A 93 10.668 5.140 -7.438 1.00 0.00 C ATOM 1342 CD PRO A 93 9.497 4.603 -8.263 1.00 0.00 C ATOM 0 HA PRO A 93 11.785 2.647 -9.283 1.00 0.00 H new ATOM 0 HB2 PRO A 93 12.690 4.337 -7.325 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.255 4.932 -8.915 1.00 0.00 H new ATOM 0 HG2 PRO A 93 10.550 4.918 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 93 10.763 6.222 -7.529 1.00 0.00 H new ATOM 0 HD2 PRO A 93 8.569 4.625 -7.692 1.00 0.00 H new ATOM 0 HD3 PRO A 93 9.335 5.205 -9.157 1.00 0.00 H new ATOM 1350 N SER A 94 12.488 1.120 -7.578 1.00 0.00 N ATOM 1351 CA SER A 94 13.207 0.347 -6.587 1.00 0.00 C ATOM 1352 C SER A 94 13.980 1.340 -5.706 1.00 0.00 C ATOM 1353 O SER A 94 14.424 2.375 -6.205 1.00 0.00 O ATOM 1354 CB SER A 94 14.145 -0.608 -7.335 1.00 0.00 C ATOM 1355 OG SER A 94 13.478 -1.254 -8.409 1.00 0.00 O ATOM 0 H SER A 94 12.786 0.918 -8.532 1.00 0.00 H new ATOM 0 HA SER A 94 12.550 -0.246 -5.951 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.002 -0.053 -7.718 1.00 0.00 H new ATOM 0 HB3 SER A 94 14.533 -1.356 -6.643 1.00 0.00 H new ATOM 0 HG SER A 94 14.102 -1.855 -8.868 1.00 0.00 H new ATOM 1361 N SER A 95 14.118 1.042 -4.412 1.00 0.00 N ATOM 1362 CA SER A 95 14.367 2.041 -3.377 1.00 0.00 C ATOM 1363 C SER A 95 13.419 3.232 -3.541 1.00 0.00 C ATOM 1364 O SER A 95 13.765 4.295 -4.068 1.00 0.00 O ATOM 1365 CB SER A 95 15.846 2.428 -3.299 1.00 0.00 C ATOM 1366 OG SER A 95 16.591 1.331 -2.797 1.00 0.00 O ATOM 0 H SER A 95 14.059 0.089 -4.052 1.00 0.00 H new ATOM 0 HA SER A 95 14.143 1.601 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 95 16.213 2.710 -4.286 1.00 0.00 H new ATOM 0 HB3 SER A 95 15.973 3.296 -2.652 1.00 0.00 H new ATOM 0 HG SER A 95 17.539 1.575 -2.747 1.00 0.00 H new ATOM 1372 N GLY A 96 12.187 3.024 -3.080 1.00 0.00 N ATOM 1373 CA GLY A 96 11.218 4.091 -2.931 1.00 0.00 C ATOM 1374 C GLY A 96 11.585 4.986 -1.763 1.00 0.00 C ATOM 1375 O GLY A 96 10.879 5.999 -1.578 1.00 0.00 O ATOM 0 H GLY A 96 11.839 2.107 -2.801 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.173 4.680 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.225 3.669 -2.775 1.00 0.00 H new TER 1379 GLY A 96