USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 863 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 98 ASN : amide:sc= -5.12! C(o=-5.1!,f=-7.2!) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 21 CYS SG : rot 154:sc= 0.821 USER MOD Set 2.2: A 23 MET CE :methyl -170:sc= -0.136 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= -0.227 (180deg=-1) USER MOD Single : A 2 THR OG1 : rot -139:sc= 0.253 USER MOD Single : A 6 GLN : amide:sc= -0.356 K(o=-0.36,f=-3.1!) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-14!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 33:sc= -1.27! USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -3.62! C(o=-3.6!,f=-3.3!) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.243 F(o=-1.4!,f=-0.24) USER MOD Single : A 32 THR OG1 : rot -73:sc= -4.62! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.206 (180deg=-1.26!) USER MOD Single : A 47 SER OG : rot -23:sc= -6.45! USER MOD Single : A 48 ASN :FLIP amide:sc= -0.508 F(o=-1.3,f=-0.51) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot -129:sc= -0.887 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 84 ASN :FLIP amide:sc= -0.0594 F(o=-1.6!,f=-0.059) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 72:sc= 0.157 USER MOD Single : A 96 HIS : no HE2:sc= -0.253! C(o=-0.25!,f=-12!) USER MOD Single : A 103 GLN : amide:sc= -0.295 K(o=-0.29,f=-0.97) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -1.2 USER MOD Single : A 115 LYS NZ :NH3+ -149:sc= -0.0513 (180deg=-0.456) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -44.343 38.360 -8.970 1.00 0.00 N ATOM 2 CA MET A 1 -43.062 38.311 -9.729 1.00 0.00 C ATOM 3 C MET A 1 -42.038 39.215 -9.050 1.00 0.00 C ATOM 4 O MET A 1 -41.524 40.153 -9.658 1.00 0.00 O ATOM 5 CB MET A 1 -43.304 38.782 -11.165 1.00 0.00 C ATOM 6 CG MET A 1 -44.153 40.053 -11.148 1.00 0.00 C ATOM 7 SD MET A 1 -44.391 40.643 -12.844 1.00 0.00 S ATOM 8 CE MET A 1 -45.197 42.210 -12.429 1.00 0.00 C ATOM 0 H1 MET A 1 -45.121 38.040 -9.581 1.00 0.00 H new ATOM 0 H2 MET A 1 -44.278 37.739 -8.138 1.00 0.00 H new ATOM 0 H3 MET A 1 -44.526 39.336 -8.660 1.00 0.00 H new ATOM 0 HA MET A 1 -42.682 37.289 -9.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 -42.353 38.974 -11.661 1.00 0.00 H new ATOM 0 HB3 MET A 1 -43.809 38.002 -11.735 1.00 0.00 H new ATOM 0 HG2 MET A 1 -45.118 39.852 -10.683 1.00 0.00 H new ATOM 0 HG3 MET A 1 -43.664 40.822 -10.549 1.00 0.00 H new ATOM 0 HE1 MET A 1 -45.437 42.750 -13.345 1.00 0.00 H new ATOM 0 HE2 MET A 1 -46.114 42.012 -11.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 -44.526 42.814 -11.818 1.00 0.00 H new ATOM 18 N THR A 2 -41.747 38.925 -7.786 1.00 0.00 N ATOM 19 CA THR A 2 -40.782 39.720 -7.034 1.00 0.00 C ATOM 20 C THR A 2 -39.596 38.862 -6.609 1.00 0.00 C ATOM 21 O THR A 2 -39.106 38.036 -7.379 1.00 0.00 O ATOM 22 CB THR A 2 -41.450 40.315 -5.791 1.00 0.00 C ATOM 23 OG1 THR A 2 -40.587 41.284 -5.212 1.00 0.00 O ATOM 24 CG2 THR A 2 -41.726 39.205 -4.776 1.00 0.00 C ATOM 0 H THR A 2 -42.161 38.153 -7.264 1.00 0.00 H new ATOM 0 HA THR A 2 -40.425 40.524 -7.677 1.00 0.00 H new ATOM 0 HB THR A 2 -42.391 40.787 -6.074 1.00 0.00 H new ATOM 0 HG1 THR A 2 -40.607 41.198 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 2 -42.201 39.630 -3.892 1.00 0.00 H new ATOM 0 HG22 THR A 2 -42.387 38.461 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 2 -40.787 38.731 -4.490 1.00 0.00 H new ATOM 32 N ALA A 3 -39.140 39.064 -5.377 1.00 0.00 N ATOM 33 CA ALA A 3 -38.011 38.305 -4.855 1.00 0.00 C ATOM 34 C ALA A 3 -38.498 37.072 -4.100 1.00 0.00 C ATOM 35 O ALA A 3 -39.701 36.868 -3.938 1.00 0.00 O ATOM 36 CB ALA A 3 -37.181 39.185 -3.919 1.00 0.00 C ATOM 0 H ALA A 3 -39.533 39.743 -4.725 1.00 0.00 H new ATOM 0 HA ALA A 3 -37.394 37.982 -5.693 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -36.339 38.611 -3.532 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -36.809 40.050 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -37.803 39.521 -3.089 1.00 0.00 H new ATOM 42 N GLU A 4 -37.556 36.254 -3.643 1.00 0.00 N ATOM 43 CA GLU A 4 -37.902 35.041 -2.908 1.00 0.00 C ATOM 44 C GLU A 4 -37.716 35.251 -1.408 1.00 0.00 C ATOM 45 O GLU A 4 -36.917 36.086 -0.984 1.00 0.00 O ATOM 46 CB GLU A 4 -37.020 33.883 -3.372 1.00 0.00 C ATOM 47 CG GLU A 4 -35.548 34.249 -3.169 1.00 0.00 C ATOM 48 CD GLU A 4 -34.665 33.370 -4.050 1.00 0.00 C ATOM 49 OE1 GLU A 4 -34.968 33.248 -5.225 1.00 0.00 O ATOM 50 OE2 GLU A 4 -33.699 32.831 -3.534 1.00 0.00 O ATOM 0 H GLU A 4 -36.555 36.406 -3.767 1.00 0.00 H new ATOM 0 HA GLU A 4 -38.948 34.806 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -37.262 32.980 -2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -37.210 33.666 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -35.389 35.299 -3.413 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -35.274 34.120 -2.122 1.00 0.00 H new ATOM 57 N LEU A 5 -38.451 34.481 -0.608 1.00 0.00 N ATOM 58 CA LEU A 5 -38.345 34.588 0.844 1.00 0.00 C ATOM 59 C LEU A 5 -38.266 33.203 1.479 1.00 0.00 C ATOM 60 O LEU A 5 -38.382 32.187 0.794 1.00 0.00 O ATOM 61 CB LEU A 5 -39.539 35.357 1.427 1.00 0.00 C ATOM 62 CG LEU A 5 -40.787 35.170 0.556 1.00 0.00 C ATOM 63 CD1 LEU A 5 -40.581 35.847 -0.799 1.00 0.00 C ATOM 64 CD2 LEU A 5 -41.062 33.679 0.344 1.00 0.00 C ATOM 0 H LEU A 5 -39.119 33.784 -0.937 1.00 0.00 H new ATOM 0 HA LEU A 5 -37.431 35.137 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -39.742 35.009 2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -39.295 36.417 1.497 1.00 0.00 H new ATOM 0 HG LEU A 5 -41.639 35.623 1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -41.471 35.710 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -40.403 36.912 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -39.722 35.402 -1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -41.950 33.557 -0.276 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -40.208 33.218 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -41.224 33.198 1.309 1.00 0.00 H new ATOM 76 N GLN A 6 -38.066 33.171 2.794 1.00 0.00 N ATOM 77 CA GLN A 6 -37.970 31.906 3.513 1.00 0.00 C ATOM 78 C GLN A 6 -37.179 30.888 2.698 1.00 0.00 C ATOM 79 O GLN A 6 -37.716 30.253 1.790 1.00 0.00 O ATOM 80 CB GLN A 6 -39.370 31.357 3.797 1.00 0.00 C ATOM 81 CG GLN A 6 -39.304 30.370 4.963 1.00 0.00 C ATOM 82 CD GLN A 6 -39.638 31.081 6.271 1.00 0.00 C ATOM 83 OE1 GLN A 6 -40.155 32.198 6.257 1.00 0.00 O ATOM 84 NE2 GLN A 6 -39.373 30.495 7.407 1.00 0.00 N ATOM 0 H GLN A 6 -37.968 34.001 3.379 1.00 0.00 H new ATOM 0 HA GLN A 6 -37.453 32.084 4.456 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -40.051 32.174 4.036 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -39.765 30.862 2.910 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -40.004 29.551 4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -38.308 29.931 5.022 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -38.945 29.569 7.416 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -39.594 30.963 8.286 1.00 0.00 H new ATOM 93 N GLN A 7 -35.900 30.740 3.025 1.00 0.00 N ATOM 94 CA GLN A 7 -35.045 29.797 2.313 1.00 0.00 C ATOM 95 C GLN A 7 -35.266 28.378 2.825 1.00 0.00 C ATOM 96 O GLN A 7 -34.710 27.420 2.288 1.00 0.00 O ATOM 97 CB GLN A 7 -33.574 30.182 2.487 1.00 0.00 C ATOM 98 CG GLN A 7 -32.732 29.500 1.405 1.00 0.00 C ATOM 99 CD GLN A 7 -31.412 30.240 1.229 1.00 0.00 C ATOM 100 OE1 GLN A 7 -31.338 31.208 0.472 1.00 0.00 O ATOM 101 NE2 GLN A 7 -30.358 29.840 1.886 1.00 0.00 N ATOM 0 H GLN A 7 -35.435 31.256 3.772 1.00 0.00 H new ATOM 0 HA GLN A 7 -35.304 29.834 1.255 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -33.461 31.264 2.422 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -33.224 29.884 3.475 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -32.543 28.462 1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -33.279 29.485 0.462 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -30.422 29.038 2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -29.470 30.330 1.773 1.00 0.00 H new ATOM 110 N ASP A 8 -36.085 28.248 3.862 1.00 0.00 N ATOM 111 CA ASP A 8 -36.375 26.938 4.432 1.00 0.00 C ATOM 112 C ASP A 8 -37.461 26.243 3.626 1.00 0.00 C ATOM 113 O ASP A 8 -37.618 25.024 3.688 1.00 0.00 O ATOM 114 CB ASP A 8 -36.830 27.086 5.883 1.00 0.00 C ATOM 115 CG ASP A 8 -36.128 26.051 6.756 1.00 0.00 C ATOM 116 OD1 ASP A 8 -36.589 24.922 6.790 1.00 0.00 O ATOM 117 OD2 ASP A 8 -35.139 26.403 7.376 1.00 0.00 O ATOM 0 H ASP A 8 -36.557 29.027 4.322 1.00 0.00 H new ATOM 0 HA ASP A 8 -35.467 26.336 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -36.606 28.090 6.243 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -37.910 26.958 5.949 1.00 0.00 H new ATOM 122 N ASP A 9 -38.200 27.036 2.870 1.00 0.00 N ATOM 123 CA ASP A 9 -39.273 26.507 2.039 1.00 0.00 C ATOM 124 C ASP A 9 -38.707 25.570 0.983 1.00 0.00 C ATOM 125 O ASP A 9 -39.419 24.737 0.422 1.00 0.00 O ATOM 126 CB ASP A 9 -40.018 27.655 1.358 1.00 0.00 C ATOM 127 CG ASP A 9 -41.118 28.183 2.273 1.00 0.00 C ATOM 128 OD1 ASP A 9 -41.597 27.418 3.093 1.00 0.00 O ATOM 129 OD2 ASP A 9 -41.463 29.346 2.141 1.00 0.00 O ATOM 0 H ASP A 9 -38.079 28.047 2.813 1.00 0.00 H new ATOM 0 HA ASP A 9 -39.965 25.952 2.673 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -39.321 28.457 1.114 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -40.450 27.311 0.418 1.00 0.00 H new ATOM 134 N ALA A 10 -37.417 25.716 0.726 1.00 0.00 N ATOM 135 CA ALA A 10 -36.737 24.886 -0.259 1.00 0.00 C ATOM 136 C ALA A 10 -37.591 24.726 -1.513 1.00 0.00 C ATOM 137 O ALA A 10 -38.587 25.428 -1.693 1.00 0.00 O ATOM 138 CB ALA A 10 -36.439 23.511 0.340 1.00 0.00 C ATOM 0 H ALA A 10 -36.818 26.402 1.186 1.00 0.00 H new ATOM 0 HA ALA A 10 -35.802 25.374 -0.535 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -35.930 22.894 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -35.801 23.626 1.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -37.373 23.031 0.632 1.00 0.00 H new ATOM 144 N ALA A 11 -37.194 23.796 -2.375 1.00 0.00 N ATOM 145 CA ALA A 11 -37.927 23.547 -3.612 1.00 0.00 C ATOM 146 C ALA A 11 -38.168 22.052 -3.799 1.00 0.00 C ATOM 147 O ALA A 11 -39.257 21.633 -4.192 1.00 0.00 O ATOM 148 CB ALA A 11 -37.141 24.095 -4.805 1.00 0.00 C ATOM 0 H ALA A 11 -36.373 23.205 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 11 -38.890 24.053 -3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -37.695 23.905 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -36.997 25.169 -4.684 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -36.170 23.602 -4.858 1.00 0.00 H new ATOM 154 N GLY A 12 -37.144 21.253 -3.515 1.00 0.00 N ATOM 155 CA GLY A 12 -37.256 19.806 -3.656 1.00 0.00 C ATOM 156 C GLY A 12 -36.205 19.091 -2.814 1.00 0.00 C ATOM 157 O GLY A 12 -35.490 19.718 -2.031 1.00 0.00 O ATOM 0 H GLY A 12 -36.235 21.580 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -38.252 19.484 -3.352 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -37.138 19.529 -4.704 1.00 0.00 H new ATOM 161 N ALA A 13 -36.117 17.775 -2.980 1.00 0.00 N ATOM 162 CA ALA A 13 -35.149 16.982 -2.229 1.00 0.00 C ATOM 163 C ALA A 13 -33.737 17.522 -2.435 1.00 0.00 C ATOM 164 O ALA A 13 -33.486 18.287 -3.366 1.00 0.00 O ATOM 165 CB ALA A 13 -35.210 15.520 -2.680 1.00 0.00 C ATOM 0 H ALA A 13 -36.699 17.238 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 13 -35.398 17.047 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -34.485 14.934 -2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -36.211 15.126 -2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -34.978 15.457 -3.743 1.00 0.00 H new ATOM 171 N ALA A 14 -32.822 17.120 -1.559 1.00 0.00 N ATOM 172 CA ALA A 14 -31.439 17.573 -1.654 1.00 0.00 C ATOM 173 C ALA A 14 -30.505 16.598 -0.942 1.00 0.00 C ATOM 174 O ALA A 14 -29.798 16.973 -0.006 1.00 0.00 O ATOM 175 CB ALA A 14 -31.301 18.961 -1.029 1.00 0.00 C ATOM 0 H ALA A 14 -33.011 16.487 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 14 -31.163 17.619 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -30.265 19.292 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -31.946 19.664 -1.557 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -31.593 18.918 0.020 1.00 0.00 H new ATOM 181 N ASP A 15 -30.505 15.348 -1.393 1.00 0.00 N ATOM 182 CA ASP A 15 -29.654 14.329 -0.791 1.00 0.00 C ATOM 183 C ASP A 15 -28.767 13.679 -1.848 1.00 0.00 C ATOM 184 O ASP A 15 -28.651 14.178 -2.968 1.00 0.00 O ATOM 185 CB ASP A 15 -30.519 13.259 -0.125 1.00 0.00 C ATOM 186 CG ASP A 15 -31.260 12.453 -1.186 1.00 0.00 C ATOM 187 OD1 ASP A 15 -30.624 11.641 -1.837 1.00 0.00 O ATOM 188 OD2 ASP A 15 -32.454 12.658 -1.331 1.00 0.00 O ATOM 0 H ASP A 15 -31.081 15.018 -2.168 1.00 0.00 H new ATOM 0 HA ASP A 15 -29.020 14.806 -0.043 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -29.895 12.598 0.476 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -31.233 13.727 0.553 1.00 0.00 H new ATOM 193 N GLY A 16 -28.144 12.563 -1.484 1.00 0.00 N ATOM 194 CA GLY A 16 -27.270 11.851 -2.408 1.00 0.00 C ATOM 195 C GLY A 16 -25.815 11.931 -1.958 1.00 0.00 C ATOM 196 O GLY A 16 -24.898 11.824 -2.771 1.00 0.00 O ATOM 0 H GLY A 16 -28.227 12.135 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -27.577 10.807 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -27.369 12.275 -3.407 1.00 0.00 H new ATOM 200 N HIS A 17 -25.612 12.120 -0.657 1.00 0.00 N ATOM 201 CA HIS A 17 -24.262 12.210 -0.115 1.00 0.00 C ATOM 202 C HIS A 17 -23.785 10.844 0.369 1.00 0.00 C ATOM 203 O HIS A 17 -22.584 10.600 0.475 1.00 0.00 O ATOM 204 CB HIS A 17 -24.228 13.210 1.044 1.00 0.00 C ATOM 205 CG HIS A 17 -25.166 12.758 2.129 1.00 0.00 C ATOM 206 ND1 HIS A 17 -25.927 11.605 2.020 1.00 0.00 N ATOM 207 CD2 HIS A 17 -25.476 13.297 3.353 1.00 0.00 C ATOM 208 CE1 HIS A 17 -26.651 11.488 3.148 1.00 0.00 C ATOM 209 NE2 HIS A 17 -26.414 12.494 3.995 1.00 0.00 N ATOM 0 H HIS A 17 -26.357 12.213 0.034 1.00 0.00 H new ATOM 0 HA HIS A 17 -23.595 12.553 -0.907 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -23.215 13.292 1.437 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -24.515 14.201 0.691 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -25.056 14.206 3.757 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -27.340 10.680 3.345 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -26.831 12.642 4.914 1.00 0.00 H new ATOM 217 N GLY A 18 -24.737 9.959 0.656 1.00 0.00 N ATOM 218 CA GLY A 18 -24.413 8.614 1.125 1.00 0.00 C ATOM 219 C GLY A 18 -23.013 8.559 1.726 1.00 0.00 C ATOM 220 O GLY A 18 -22.060 8.144 1.067 1.00 0.00 O ATOM 0 H GLY A 18 -25.736 10.148 0.572 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -25.144 8.301 1.871 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -24.483 7.911 0.295 1.00 0.00 H new ATOM 224 N SER A 19 -22.897 8.980 2.981 1.00 0.00 N ATOM 225 CA SER A 19 -21.607 8.975 3.662 1.00 0.00 C ATOM 226 C SER A 19 -20.468 9.147 2.660 1.00 0.00 C ATOM 227 O SER A 19 -19.878 8.169 2.201 1.00 0.00 O ATOM 228 CB SER A 19 -21.425 7.662 4.426 1.00 0.00 C ATOM 229 OG SER A 19 -21.024 7.947 5.760 1.00 0.00 O ATOM 0 H SER A 19 -23.674 9.327 3.544 1.00 0.00 H new ATOM 0 HA SER A 19 -21.585 9.809 4.363 1.00 0.00 H new ATOM 0 HB2 SER A 19 -22.357 7.096 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 19 -20.676 7.042 3.933 1.00 0.00 H new ATOM 0 HG SER A 19 -20.908 7.108 6.253 1.00 0.00 H new ATOM 235 N SER A 20 -20.162 10.396 2.328 1.00 0.00 N ATOM 236 CA SER A 20 -19.088 10.684 1.382 1.00 0.00 C ATOM 237 C SER A 20 -19.076 12.164 1.017 1.00 0.00 C ATOM 238 O SER A 20 -19.389 12.537 -0.115 1.00 0.00 O ATOM 239 CB SER A 20 -19.265 9.846 0.116 1.00 0.00 C ATOM 240 OG SER A 20 -20.648 9.747 -0.194 1.00 0.00 O ATOM 0 H SER A 20 -20.637 11.220 2.696 1.00 0.00 H new ATOM 0 HA SER A 20 -18.139 10.430 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 -18.727 10.303 -0.714 1.00 0.00 H new ATOM 0 HB3 SER A 20 -18.842 8.852 0.262 1.00 0.00 H new ATOM 0 HG SER A 20 -21.103 10.573 0.073 1.00 0.00 H new ATOM 246 N CYS A 21 -18.711 13.002 1.980 1.00 0.00 N ATOM 247 CA CYS A 21 -18.660 14.441 1.748 1.00 0.00 C ATOM 248 C CYS A 21 -17.407 14.811 0.959 1.00 0.00 C ATOM 249 O CYS A 21 -16.544 13.968 0.718 1.00 0.00 O ATOM 250 CB CYS A 21 -18.663 15.183 3.085 1.00 0.00 C ATOM 251 SG CYS A 21 -18.378 14.002 4.427 1.00 0.00 S ATOM 0 H CYS A 21 -18.448 12.713 2.922 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.537 14.731 1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.889 15.950 3.090 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -19.616 15.692 3.229 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.838 14.616 5.438 1.00 0.00 H new ATOM 257 N GLN A 22 -17.318 16.075 0.557 1.00 0.00 N ATOM 258 CA GLN A 22 -16.169 16.546 -0.211 1.00 0.00 C ATOM 259 C GLN A 22 -14.987 16.856 0.705 1.00 0.00 C ATOM 260 O GLN A 22 -13.866 17.057 0.236 1.00 0.00 O ATOM 261 CB GLN A 22 -16.548 17.807 -0.991 1.00 0.00 C ATOM 262 CG GLN A 22 -17.481 18.674 -0.143 1.00 0.00 C ATOM 263 CD GLN A 22 -17.569 20.078 -0.733 1.00 0.00 C ATOM 264 OE1 GLN A 22 -17.079 21.036 -0.135 1.00 0.00 O ATOM 265 NE2 GLN A 22 -18.170 20.258 -1.877 1.00 0.00 N ATOM 0 H GLN A 22 -18.022 16.788 0.748 1.00 0.00 H new ATOM 0 HA GLN A 22 -15.877 15.756 -0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.651 18.368 -1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.038 17.535 -1.926 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -18.473 18.224 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -17.113 18.724 0.882 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -18.575 19.463 -2.371 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -18.235 21.194 -2.278 1.00 0.00 H new ATOM 274 N MET A 23 -15.243 16.907 2.008 1.00 0.00 N ATOM 275 CA MET A 23 -14.186 17.210 2.969 1.00 0.00 C ATOM 276 C MET A 23 -13.154 16.094 3.022 1.00 0.00 C ATOM 277 O MET A 23 -11.974 16.334 3.283 1.00 0.00 O ATOM 278 CB MET A 23 -14.781 17.415 4.363 1.00 0.00 C ATOM 279 CG MET A 23 -15.418 16.110 4.844 1.00 0.00 C ATOM 280 SD MET A 23 -16.630 16.470 6.140 1.00 0.00 S ATOM 281 CE MET A 23 -16.179 15.122 7.259 1.00 0.00 C ATOM 0 H MET A 23 -16.162 16.745 2.420 1.00 0.00 H new ATOM 0 HA MET A 23 -13.693 18.126 2.642 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.004 17.730 5.059 1.00 0.00 H new ATOM 0 HB3 MET A 23 -15.528 18.209 4.338 1.00 0.00 H new ATOM 0 HG2 MET A 23 -15.902 15.600 4.011 1.00 0.00 H new ATOM 0 HG3 MET A 23 -14.650 15.438 5.226 1.00 0.00 H new ATOM 0 HE1 MET A 23 -16.922 15.044 8.053 1.00 0.00 H new ATOM 0 HE2 MET A 23 -16.142 14.185 6.703 1.00 0.00 H new ATOM 0 HE3 MET A 23 -15.201 15.324 7.696 1.00 0.00 H new ATOM 291 N LEU A 24 -13.610 14.880 2.781 1.00 0.00 N ATOM 292 CA LEU A 24 -12.725 13.722 2.813 1.00 0.00 C ATOM 293 C LEU A 24 -11.638 13.836 1.759 1.00 0.00 C ATOM 294 O LEU A 24 -10.451 13.919 2.076 1.00 0.00 O ATOM 295 CB LEU A 24 -13.533 12.443 2.586 1.00 0.00 C ATOM 296 CG LEU A 24 -14.523 12.257 3.737 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.677 11.360 3.284 1.00 0.00 C ATOM 298 CD2 LEU A 24 -13.808 11.607 4.924 1.00 0.00 C ATOM 0 H LEU A 24 -14.583 14.666 2.561 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.250 13.684 3.793 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.067 12.501 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.865 11.584 2.524 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.917 13.229 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -16.381 11.229 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.188 11.823 2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.286 10.388 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.513 11.474 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -13.413 10.636 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.988 12.247 5.250 1.00 0.00 H new ATOM 310 N LEU A 25 -12.056 13.838 0.508 1.00 0.00 N ATOM 311 CA LEU A 25 -11.117 13.934 -0.607 1.00 0.00 C ATOM 312 C LEU A 25 -10.499 15.324 -0.686 1.00 0.00 C ATOM 313 O LEU A 25 -9.346 15.470 -1.081 1.00 0.00 O ATOM 314 CB LEU A 25 -11.828 13.618 -1.923 1.00 0.00 C ATOM 315 CG LEU A 25 -13.291 14.055 -1.833 1.00 0.00 C ATOM 316 CD1 LEU A 25 -13.819 14.368 -3.236 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.119 12.926 -1.219 1.00 0.00 C ATOM 0 H LEU A 25 -13.036 13.775 0.232 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.321 13.209 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -11.334 14.132 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.769 12.550 -2.133 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.367 14.946 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.862 14.679 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.227 15.170 -3.677 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.744 13.477 -3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.162 13.234 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.042 12.037 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.744 12.701 -0.221 1.00 0.00 H new ATOM 329 N ASN A 26 -11.261 16.345 -0.311 1.00 0.00 N ATOM 330 CA ASN A 26 -10.740 17.705 -0.353 1.00 0.00 C ATOM 331 C ASN A 26 -9.513 17.810 0.534 1.00 0.00 C ATOM 332 O ASN A 26 -8.407 18.116 0.077 1.00 0.00 O ATOM 333 CB ASN A 26 -11.806 18.696 0.121 1.00 0.00 C ATOM 334 CG ASN A 26 -11.181 20.073 0.315 1.00 0.00 C ATOM 335 OD1 ASN A 26 -11.829 20.985 0.829 1.00 0.00 O ATOM 336 ND2 ASN A 26 -9.949 20.280 -0.067 1.00 0.00 N ATOM 0 H ASN A 26 -12.222 16.261 0.019 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.467 17.946 -1.380 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.613 18.753 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.246 18.351 1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.523 21.198 0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -9.413 19.524 -0.493 1.00 0.00 H new ATOM 343 N GLN A 27 -9.718 17.524 1.803 1.00 0.00 N ATOM 344 CA GLN A 27 -8.629 17.558 2.763 1.00 0.00 C ATOM 345 C GLN A 27 -7.502 16.665 2.265 1.00 0.00 C ATOM 346 O GLN A 27 -6.356 17.098 2.139 1.00 0.00 O ATOM 347 CB GLN A 27 -9.118 17.070 4.126 1.00 0.00 C ATOM 348 CG GLN A 27 -9.972 18.156 4.783 1.00 0.00 C ATOM 349 CD GLN A 27 -9.130 18.963 5.764 1.00 0.00 C ATOM 350 OE1 GLN A 27 -8.209 18.363 6.468 1.00 0.00 O flip ATOM 351 NE2 GLN A 27 -9.315 20.173 5.894 1.00 0.00 N flip ATOM 0 H GLN A 27 -10.624 17.266 2.195 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.267 18.581 2.869 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.700 16.156 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.268 16.827 4.763 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.386 18.815 4.020 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.815 17.701 5.304 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.035 20.641 5.343 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.748 20.708 6.552 1.00 0.00 H new ATOM 360 N LEU A 28 -7.842 15.416 1.960 1.00 0.00 N ATOM 361 CA LEU A 28 -6.857 14.477 1.453 1.00 0.00 C ATOM 362 C LEU A 28 -6.009 15.141 0.369 1.00 0.00 C ATOM 363 O LEU A 28 -4.780 15.117 0.421 1.00 0.00 O ATOM 364 CB LEU A 28 -7.568 13.255 0.869 1.00 0.00 C ATOM 365 CG LEU A 28 -6.867 11.978 1.327 1.00 0.00 C ATOM 366 CD1 LEU A 28 -5.365 12.112 1.104 1.00 0.00 C ATOM 367 CD2 LEU A 28 -7.143 11.748 2.816 1.00 0.00 C ATOM 0 H LEU A 28 -8.784 15.037 2.055 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.208 14.166 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.610 13.243 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.569 13.310 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.245 11.132 0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.866 11.200 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.167 12.274 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.986 12.958 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.642 10.836 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.767 12.594 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.217 11.649 2.976 1.00 0.00 H new ATOM 379 N ARG A 29 -6.683 15.735 -0.611 1.00 0.00 N ATOM 380 CA ARG A 29 -5.999 16.406 -1.712 1.00 0.00 C ATOM 381 C ARG A 29 -5.199 17.598 -1.200 1.00 0.00 C ATOM 382 O ARG A 29 -4.261 18.054 -1.851 1.00 0.00 O ATOM 383 CB ARG A 29 -7.026 16.890 -2.740 1.00 0.00 C ATOM 384 CG ARG A 29 -6.890 16.077 -4.029 1.00 0.00 C ATOM 385 CD ARG A 29 -8.195 16.157 -4.823 1.00 0.00 C ATOM 386 NE ARG A 29 -8.830 17.457 -4.622 1.00 0.00 N ATOM 387 CZ ARG A 29 -10.061 17.566 -4.120 1.00 0.00 C ATOM 388 NH1 ARG A 29 -10.741 16.500 -3.788 1.00 0.00 N ATOM 389 NH2 ARG A 29 -10.592 18.747 -3.957 1.00 0.00 N ATOM 0 H ARG A 29 -7.701 15.766 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.316 15.696 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -8.034 16.786 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.874 17.949 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.064 16.460 -4.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.658 15.038 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.994 16.003 -5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.870 15.362 -4.507 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.319 18.303 -4.872 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.331 15.574 -3.912 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.682 16.594 -3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.066 19.582 -4.213 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.533 18.835 -3.573 1.00 0.00 H new ATOM 403 N GLU A 30 -5.581 18.106 -0.039 1.00 0.00 N ATOM 404 CA GLU A 30 -4.887 19.256 0.535 1.00 0.00 C ATOM 405 C GLU A 30 -3.668 18.810 1.336 1.00 0.00 C ATOM 406 O GLU A 30 -2.759 19.599 1.592 1.00 0.00 O ATOM 407 CB GLU A 30 -5.834 20.041 1.445 1.00 0.00 C ATOM 408 CG GLU A 30 -6.804 20.859 0.591 1.00 0.00 C ATOM 409 CD GLU A 30 -7.617 21.795 1.480 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.044 22.346 2.406 1.00 0.00 O ATOM 411 OE2 GLU A 30 -8.799 21.948 1.221 1.00 0.00 O ATOM 0 H GLU A 30 -6.356 17.749 0.520 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.555 19.894 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.388 19.357 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.263 20.701 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.251 21.436 -0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.471 20.193 0.044 1.00 0.00 H new ATOM 418 N ILE A 31 -3.661 17.544 1.735 1.00 0.00 N ATOM 419 CA ILE A 31 -2.553 17.003 2.520 1.00 0.00 C ATOM 420 C ILE A 31 -1.515 16.343 1.631 1.00 0.00 C ATOM 421 O ILE A 31 -0.315 16.593 1.746 1.00 0.00 O ATOM 422 CB ILE A 31 -3.083 15.960 3.501 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.237 16.565 4.299 1.00 0.00 C ATOM 424 CG2 ILE A 31 -1.965 15.535 4.455 1.00 0.00 C ATOM 425 CD1 ILE A 31 -5.178 15.467 4.807 1.00 0.00 C ATOM 0 H ILE A 31 -4.403 16.875 1.531 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.086 17.832 3.052 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.435 15.086 2.952 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.844 17.133 5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.791 17.265 3.673 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.346 14.791 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.142 15.107 3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.609 16.404 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.993 15.919 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.586 14.917 3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.625 14.783 5.451 1.00 0.00 H new ATOM 437 N THR A 32 -2.000 15.470 0.779 1.00 0.00 N ATOM 438 CA THR A 32 -1.145 14.712 -0.118 1.00 0.00 C ATOM 439 C THR A 32 -0.980 15.396 -1.468 1.00 0.00 C ATOM 440 O THR A 32 0.098 15.366 -2.060 1.00 0.00 O ATOM 441 CB THR A 32 -1.787 13.353 -0.330 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.722 13.453 -1.393 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.518 12.951 0.948 1.00 0.00 C ATOM 0 H THR A 32 -2.994 15.262 0.685 1.00 0.00 H new ATOM 0 HA THR A 32 -0.155 14.629 0.330 1.00 0.00 H new ATOM 0 HB THR A 32 -1.029 12.608 -0.572 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.509 13.952 -1.090 1.00 0.00 H new ATOM 0 HG21 THR A 32 -2.984 11.976 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.807 12.899 1.773 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.285 13.691 1.176 1.00 0.00 H new ATOM 451 N GLY A 33 -2.052 15.999 -1.957 1.00 0.00 N ATOM 452 CA GLY A 33 -2.000 16.671 -3.251 1.00 0.00 C ATOM 453 C GLY A 33 -2.060 15.661 -4.388 1.00 0.00 C ATOM 454 O GLY A 33 -1.408 15.830 -5.419 1.00 0.00 O ATOM 0 H GLY A 33 -2.957 16.039 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.831 17.371 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.083 17.255 -3.326 1.00 0.00 H new ATOM 458 N ILE A 34 -2.832 14.603 -4.186 1.00 0.00 N ATOM 459 CA ILE A 34 -2.960 13.555 -5.188 1.00 0.00 C ATOM 460 C ILE A 34 -4.122 13.842 -6.137 1.00 0.00 C ATOM 461 O ILE A 34 -5.102 14.486 -5.764 1.00 0.00 O ATOM 462 CB ILE A 34 -3.161 12.215 -4.484 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.053 12.049 -3.431 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.127 11.078 -5.512 1.00 0.00 C ATOM 465 CD1 ILE A 34 -0.969 11.094 -3.910 1.00 0.00 C ATOM 0 H ILE A 34 -3.378 14.448 -3.339 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.049 13.521 -5.786 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.131 12.184 -3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.612 13.021 -3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.485 11.675 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.271 10.124 -5.004 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.923 11.224 -6.242 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.163 11.076 -6.021 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.202 11.000 -3.142 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.407 10.116 -4.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.521 11.482 -4.825 1.00 0.00 H new ATOM 477 N GLN A 35 -3.990 13.367 -7.373 1.00 0.00 N ATOM 478 CA GLN A 35 -5.014 13.582 -8.393 1.00 0.00 C ATOM 479 C GLN A 35 -5.663 12.261 -8.804 1.00 0.00 C ATOM 480 O GLN A 35 -6.198 12.141 -9.907 1.00 0.00 O ATOM 481 CB GLN A 35 -4.381 14.242 -9.621 1.00 0.00 C ATOM 482 CG GLN A 35 -2.870 14.364 -9.406 1.00 0.00 C ATOM 483 CD GLN A 35 -2.178 14.718 -10.718 1.00 0.00 C ATOM 484 OE1 GLN A 35 -2.364 15.816 -11.243 1.00 0.00 O ATOM 485 NE2 GLN A 35 -1.385 13.848 -11.281 1.00 0.00 N ATOM 0 H GLN A 35 -3.184 12.830 -7.693 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.784 14.231 -7.976 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.587 13.650 -10.513 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.818 15.227 -9.785 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.662 15.130 -8.659 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.473 13.425 -9.019 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.233 12.939 -10.844 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.917 14.077 -12.158 1.00 0.00 H new ATOM 494 N ASP A 36 -5.605 11.272 -7.920 1.00 0.00 N ATOM 495 CA ASP A 36 -6.180 9.964 -8.212 1.00 0.00 C ATOM 496 C ASP A 36 -7.256 9.595 -7.193 1.00 0.00 C ATOM 497 O ASP A 36 -7.035 8.751 -6.324 1.00 0.00 O ATOM 498 CB ASP A 36 -5.077 8.905 -8.195 1.00 0.00 C ATOM 499 CG ASP A 36 -5.640 7.556 -8.623 1.00 0.00 C ATOM 500 OD1 ASP A 36 -6.630 7.548 -9.335 1.00 0.00 O ATOM 501 OD2 ASP A 36 -5.073 6.550 -8.232 1.00 0.00 O ATOM 0 H ASP A 36 -5.169 11.349 -7.001 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.642 10.006 -9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.269 9.200 -8.865 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.650 8.829 -7.195 1.00 0.00 H new ATOM 506 N PRO A 37 -8.410 10.203 -7.283 1.00 0.00 N ATOM 507 CA PRO A 37 -9.542 9.932 -6.355 1.00 0.00 C ATOM 508 C PRO A 37 -9.616 8.470 -5.953 1.00 0.00 C ATOM 509 O PRO A 37 -10.147 8.121 -4.899 1.00 0.00 O ATOM 510 CB PRO A 37 -10.749 10.336 -7.181 1.00 0.00 C ATOM 511 CG PRO A 37 -10.267 11.455 -8.048 1.00 0.00 C ATOM 512 CD PRO A 37 -8.773 11.214 -8.290 1.00 0.00 C ATOM 0 HA PRO A 37 -9.454 10.470 -5.411 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.115 9.502 -7.780 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.574 10.657 -6.544 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.813 11.476 -8.991 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.430 12.418 -7.563 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.585 10.855 -9.302 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.195 12.129 -8.164 1.00 0.00 H new ATOM 520 N SER A 38 -9.080 7.628 -6.809 1.00 0.00 N ATOM 521 CA SER A 38 -9.078 6.193 -6.563 1.00 0.00 C ATOM 522 C SER A 38 -8.076 5.824 -5.471 1.00 0.00 C ATOM 523 O SER A 38 -8.420 5.141 -4.502 1.00 0.00 O ATOM 524 CB SER A 38 -8.728 5.446 -7.851 1.00 0.00 C ATOM 525 OG SER A 38 -9.891 4.797 -8.349 1.00 0.00 O ATOM 0 H SER A 38 -8.638 7.908 -7.685 1.00 0.00 H new ATOM 0 HA SER A 38 -10.075 5.905 -6.229 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.340 6.142 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.943 4.714 -7.659 1.00 0.00 H new ATOM 0 HG SER A 38 -9.670 4.319 -9.175 1.00 0.00 H new ATOM 531 N PHE A 39 -6.834 6.281 -5.619 1.00 0.00 N ATOM 532 CA PHE A 39 -5.818 5.976 -4.632 1.00 0.00 C ATOM 533 C PHE A 39 -6.122 6.740 -3.344 1.00 0.00 C ATOM 534 O PHE A 39 -5.790 6.297 -2.238 1.00 0.00 O ATOM 535 CB PHE A 39 -4.440 6.327 -5.215 1.00 0.00 C ATOM 536 CG PHE A 39 -3.630 7.107 -4.230 1.00 0.00 C ATOM 537 CD1 PHE A 39 -4.055 8.371 -3.840 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.442 6.574 -3.723 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.304 9.103 -2.936 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.682 7.317 -2.821 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.121 8.586 -2.428 1.00 0.00 C ATOM 0 H PHE A 39 -6.517 6.854 -6.401 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.814 4.914 -4.386 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.911 5.413 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.564 6.906 -6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.970 8.782 -4.241 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.114 5.591 -4.028 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.641 10.081 -2.625 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.760 6.915 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.537 9.165 -1.727 1.00 0.00 H new ATOM 551 N LEU A 40 -6.798 7.876 -3.497 1.00 0.00 N ATOM 552 CA LEU A 40 -7.183 8.680 -2.349 1.00 0.00 C ATOM 553 C LEU A 40 -8.254 7.932 -1.572 1.00 0.00 C ATOM 554 O LEU A 40 -8.100 7.650 -0.382 1.00 0.00 O ATOM 555 CB LEU A 40 -7.726 10.039 -2.806 1.00 0.00 C ATOM 556 CG LEU A 40 -6.558 10.951 -3.212 1.00 0.00 C ATOM 557 CD1 LEU A 40 -6.570 11.210 -4.720 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.657 12.282 -2.469 1.00 0.00 C ATOM 0 H LEU A 40 -7.087 8.255 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.312 8.854 -1.717 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.406 9.906 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.299 10.502 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.626 10.451 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.734 11.858 -4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.478 10.263 -5.252 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.506 11.693 -4.999 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.826 12.924 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.599 12.770 -2.720 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.617 12.103 -1.395 1.00 0.00 H new ATOM 570 N HIS A 41 -9.332 7.589 -2.269 1.00 0.00 N ATOM 571 CA HIS A 41 -10.415 6.850 -1.650 1.00 0.00 C ATOM 572 C HIS A 41 -9.878 5.540 -1.091 1.00 0.00 C ATOM 573 O HIS A 41 -10.435 4.987 -0.142 1.00 0.00 O ATOM 574 CB HIS A 41 -11.519 6.569 -2.670 1.00 0.00 C ATOM 575 CG HIS A 41 -12.840 6.451 -1.961 1.00 0.00 C ATOM 576 ND1 HIS A 41 -13.597 7.561 -1.617 1.00 0.00 N ATOM 577 CD2 HIS A 41 -13.553 5.362 -1.525 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.710 7.118 -1.001 1.00 0.00 C ATOM 579 NE2 HIS A 41 -14.733 5.785 -0.920 1.00 0.00 N ATOM 0 H HIS A 41 -9.474 7.811 -3.254 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.836 7.446 -0.840 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.560 7.371 -3.407 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.302 5.649 -3.212 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.245 4.333 -1.635 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -15.489 7.762 -0.619 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.459 5.202 -0.504 1.00 0.00 H new ATOM 587 N GLU A 42 -8.773 5.055 -1.666 1.00 0.00 N ATOM 588 CA GLU A 42 -8.173 3.822 -1.182 1.00 0.00 C ATOM 589 C GLU A 42 -7.645 4.055 0.223 1.00 0.00 C ATOM 590 O GLU A 42 -7.923 3.285 1.143 1.00 0.00 O ATOM 591 CB GLU A 42 -7.031 3.381 -2.100 1.00 0.00 C ATOM 592 CG GLU A 42 -6.388 2.112 -1.536 1.00 0.00 C ATOM 593 CD GLU A 42 -5.235 1.667 -2.429 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.491 0.942 -3.377 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.112 2.057 -2.152 1.00 0.00 O ATOM 0 H GLU A 42 -8.289 5.491 -2.451 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.926 3.034 -1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.409 3.195 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.287 4.174 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.025 2.298 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.132 1.318 -1.467 1.00 0.00 H new ATOM 602 N ALA A 43 -6.895 5.141 0.384 1.00 0.00 N ATOM 603 CA ALA A 43 -6.347 5.482 1.690 1.00 0.00 C ATOM 604 C ALA A 43 -7.473 5.644 2.710 1.00 0.00 C ATOM 605 O ALA A 43 -7.384 5.136 3.827 1.00 0.00 O ATOM 606 CB ALA A 43 -5.546 6.780 1.599 1.00 0.00 C ATOM 0 H ALA A 43 -6.656 5.792 -0.364 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.689 4.675 2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.140 7.027 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.728 6.654 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.197 7.587 1.262 1.00 0.00 H new ATOM 612 N LEU A 44 -8.535 6.347 2.316 1.00 0.00 N ATOM 613 CA LEU A 44 -9.673 6.554 3.213 1.00 0.00 C ATOM 614 C LEU A 44 -10.322 5.217 3.553 1.00 0.00 C ATOM 615 O LEU A 44 -10.832 5.022 4.656 1.00 0.00 O ATOM 616 CB LEU A 44 -10.723 7.465 2.554 1.00 0.00 C ATOM 617 CG LEU A 44 -10.342 8.948 2.695 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.042 9.292 4.155 1.00 0.00 C ATOM 619 CD2 LEU A 44 -9.115 9.241 1.836 1.00 0.00 C ATOM 0 H LEU A 44 -8.632 6.777 1.396 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.305 7.028 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.818 7.210 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.697 7.292 3.012 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.181 9.559 2.361 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.775 10.346 4.233 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.925 9.096 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.213 8.680 4.510 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.844 10.292 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.283 8.619 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.341 9.021 0.792 1.00 0.00 H new ATOM 631 N LYS A 45 -10.307 4.305 2.588 1.00 0.00 N ATOM 632 CA LYS A 45 -10.904 2.988 2.774 1.00 0.00 C ATOM 633 C LYS A 45 -10.048 2.123 3.702 1.00 0.00 C ATOM 634 O LYS A 45 -10.571 1.270 4.420 1.00 0.00 O ATOM 635 CB LYS A 45 -11.067 2.315 1.402 1.00 0.00 C ATOM 636 CG LYS A 45 -10.972 0.790 1.520 1.00 0.00 C ATOM 637 CD LYS A 45 -9.524 0.353 1.286 1.00 0.00 C ATOM 638 CE LYS A 45 -9.400 -1.153 1.523 1.00 0.00 C ATOM 639 NZ LYS A 45 -10.017 -1.502 2.832 1.00 0.00 N ATOM 0 H LYS A 45 -9.888 4.453 1.670 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.881 3.101 3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.030 2.590 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -10.297 2.679 0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.306 0.469 2.507 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.629 0.316 0.791 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.219 0.598 0.269 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.857 0.894 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.893 -1.700 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.351 -1.448 1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.543 -2.339 3.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.912 -0.703 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.027 -1.708 2.696 1.00 0.00 H new ATOM 653 N ALA A 46 -8.738 2.341 3.684 1.00 0.00 N ATOM 654 CA ALA A 46 -7.838 1.561 4.530 1.00 0.00 C ATOM 655 C ALA A 46 -7.769 2.137 5.944 1.00 0.00 C ATOM 656 O ALA A 46 -7.523 1.408 6.905 1.00 0.00 O ATOM 657 CB ALA A 46 -6.437 1.544 3.918 1.00 0.00 C ATOM 0 H ALA A 46 -8.279 3.041 3.102 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.228 0.545 4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.770 0.961 4.553 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.479 1.094 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.062 2.564 3.838 1.00 0.00 H new ATOM 663 N SER A 47 -7.975 3.445 6.065 1.00 0.00 N ATOM 664 CA SER A 47 -7.919 4.100 7.370 1.00 0.00 C ATOM 665 C SER A 47 -9.254 3.996 8.104 1.00 0.00 C ATOM 666 O SER A 47 -9.414 4.543 9.196 1.00 0.00 O ATOM 667 CB SER A 47 -7.548 5.569 7.199 1.00 0.00 C ATOM 668 OG SER A 47 -6.141 5.710 7.330 1.00 0.00 O ATOM 0 H SER A 47 -8.180 4.068 5.284 1.00 0.00 H new ATOM 0 HA SER A 47 -7.160 3.593 7.965 1.00 0.00 H new ATOM 0 HB2 SER A 47 -7.873 5.928 6.222 1.00 0.00 H new ATOM 0 HB3 SER A 47 -8.058 6.176 7.947 1.00 0.00 H new ATOM 0 HG SER A 47 -5.783 4.957 7.845 1.00 0.00 H new ATOM 674 N ASN A 48 -10.205 3.290 7.507 1.00 0.00 N ATOM 675 CA ASN A 48 -11.515 3.121 8.125 1.00 0.00 C ATOM 676 C ASN A 48 -12.285 4.439 8.154 1.00 0.00 C ATOM 677 O ASN A 48 -13.210 4.609 8.948 1.00 0.00 O ATOM 678 CB ASN A 48 -11.349 2.599 9.552 1.00 0.00 C ATOM 679 CG ASN A 48 -10.288 1.504 9.586 1.00 0.00 C ATOM 680 OD1 ASN A 48 -10.120 0.738 8.543 1.00 0.00 O flip ATOM 681 ND2 ASN A 48 -9.593 1.343 10.589 1.00 0.00 N flip ATOM 0 H ASN A 48 -10.097 2.829 6.604 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.080 2.404 7.530 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.063 3.415 10.216 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -12.299 2.208 9.918 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.726 1.943 11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.884 0.610 10.606 1.00 0.00 H new ATOM 688 N GLY A 49 -11.903 5.367 7.283 1.00 0.00 N ATOM 689 CA GLY A 49 -12.575 6.661 7.223 1.00 0.00 C ATOM 690 C GLY A 49 -11.750 7.751 7.901 1.00 0.00 C ATOM 691 O GLY A 49 -12.162 8.910 7.948 1.00 0.00 O ATOM 0 H GLY A 49 -11.140 5.250 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.753 6.932 6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.550 6.589 7.705 1.00 0.00 H new ATOM 695 N ASP A 50 -10.583 7.379 8.420 1.00 0.00 N ATOM 696 CA ASP A 50 -9.718 8.348 9.083 1.00 0.00 C ATOM 697 C ASP A 50 -8.808 9.025 8.062 1.00 0.00 C ATOM 698 O ASP A 50 -8.177 8.360 7.240 1.00 0.00 O ATOM 699 CB ASP A 50 -8.873 7.659 10.159 1.00 0.00 C ATOM 700 CG ASP A 50 -9.234 8.206 11.537 1.00 0.00 C ATOM 701 OD1 ASP A 50 -10.197 7.725 12.110 1.00 0.00 O ATOM 702 OD2 ASP A 50 -8.540 9.097 11.999 1.00 0.00 O ATOM 0 H ASP A 50 -10.219 6.427 8.395 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.343 9.104 9.558 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.041 6.582 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.814 7.822 9.960 1.00 0.00 H new ATOM 707 N ILE A 51 -8.763 10.353 8.109 1.00 0.00 N ATOM 708 CA ILE A 51 -7.948 11.119 7.174 1.00 0.00 C ATOM 709 C ILE A 51 -6.470 11.095 7.568 1.00 0.00 C ATOM 710 O ILE A 51 -5.612 10.786 6.746 1.00 0.00 O ATOM 711 CB ILE A 51 -8.478 12.566 7.108 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.821 12.922 5.658 1.00 0.00 C ATOM 713 CG2 ILE A 51 -7.439 13.564 7.638 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.729 14.152 5.642 1.00 0.00 C ATOM 0 H ILE A 51 -9.280 10.919 8.782 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.021 10.661 6.187 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.369 12.628 7.733 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.909 13.121 5.095 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -9.318 12.082 5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.842 14.575 7.578 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.204 13.328 8.676 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.532 13.499 7.037 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.976 14.409 4.612 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.645 13.935 6.191 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.214 14.990 6.112 1.00 0.00 H new ATOM 726 N THR A 52 -6.177 11.439 8.815 1.00 0.00 N ATOM 727 CA THR A 52 -4.797 11.466 9.284 1.00 0.00 C ATOM 728 C THR A 52 -4.089 10.150 8.993 1.00 0.00 C ATOM 729 O THR A 52 -3.015 10.130 8.396 1.00 0.00 O ATOM 730 CB THR A 52 -4.749 11.726 10.783 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.186 13.051 11.051 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.311 11.546 11.263 1.00 0.00 C ATOM 0 H THR A 52 -6.870 11.701 9.516 1.00 0.00 H new ATOM 0 HA THR A 52 -4.289 12.270 8.751 1.00 0.00 H new ATOM 0 HB THR A 52 -5.403 11.028 11.305 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.156 13.216 12.016 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.260 11.729 12.336 1.00 0.00 H new ATOM 0 HG22 THR A 52 -2.982 10.528 11.052 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.663 12.252 10.743 1.00 0.00 H new ATOM 740 N GLN A 53 -4.686 9.050 9.424 1.00 0.00 N ATOM 741 CA GLN A 53 -4.080 7.751 9.191 1.00 0.00 C ATOM 742 C GLN A 53 -3.917 7.530 7.696 1.00 0.00 C ATOM 743 O GLN A 53 -2.809 7.316 7.213 1.00 0.00 O ATOM 744 CB GLN A 53 -4.949 6.644 9.784 1.00 0.00 C ATOM 745 CG GLN A 53 -4.834 6.666 11.309 1.00 0.00 C ATOM 746 CD GLN A 53 -3.455 6.172 11.734 1.00 0.00 C ATOM 747 OE1 GLN A 53 -2.921 5.235 11.140 1.00 0.00 O ATOM 748 NE2 GLN A 53 -2.843 6.749 12.731 1.00 0.00 N ATOM 0 H GLN A 53 -5.573 9.030 9.928 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.103 7.724 9.674 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.988 6.783 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.634 5.674 9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.997 7.678 11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.607 6.036 11.750 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.287 7.525 13.222 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.920 6.424 13.020 1.00 0.00 H new ATOM 757 N ALA A 54 -5.032 7.617 6.971 1.00 0.00 N ATOM 758 CA ALA A 54 -5.016 7.446 5.524 1.00 0.00 C ATOM 759 C ALA A 54 -3.816 8.162 4.970 1.00 0.00 C ATOM 760 O ALA A 54 -2.939 7.577 4.333 1.00 0.00 O ATOM 761 CB ALA A 54 -6.287 8.042 4.916 1.00 0.00 C ATOM 0 H ALA A 54 -5.954 7.805 7.364 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.969 6.385 5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.269 7.911 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.160 7.535 5.328 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.339 9.105 5.152 1.00 0.00 H new ATOM 767 N VAL A 55 -3.784 9.433 5.271 1.00 0.00 N ATOM 768 CA VAL A 55 -2.694 10.281 4.870 1.00 0.00 C ATOM 769 C VAL A 55 -1.397 9.533 5.105 1.00 0.00 C ATOM 770 O VAL A 55 -0.626 9.287 4.180 1.00 0.00 O ATOM 771 CB VAL A 55 -2.750 11.559 5.705 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.344 12.095 5.941 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.594 12.605 4.982 1.00 0.00 C ATOM 0 H VAL A 55 -4.513 9.910 5.801 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.760 10.546 3.815 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.204 11.335 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.397 13.006 6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.754 11.348 6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.873 12.315 4.983 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.633 13.516 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.148 12.825 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.604 12.222 4.838 1.00 0.00 H new ATOM 783 N SER A 56 -1.201 9.142 6.353 1.00 0.00 N ATOM 784 CA SER A 56 -0.023 8.379 6.749 1.00 0.00 C ATOM 785 C SER A 56 0.218 7.236 5.767 1.00 0.00 C ATOM 786 O SER A 56 1.315 7.084 5.225 1.00 0.00 O ATOM 787 CB SER A 56 -0.228 7.807 8.151 1.00 0.00 C ATOM 788 OG SER A 56 1.039 7.565 8.749 1.00 0.00 O ATOM 0 H SER A 56 -1.847 9.341 7.117 1.00 0.00 H new ATOM 0 HA SER A 56 0.843 9.042 6.746 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.803 8.504 8.760 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.801 6.881 8.098 1.00 0.00 H new ATOM 0 HG SER A 56 0.911 7.200 9.649 1.00 0.00 H new ATOM 794 N LEU A 57 -0.821 6.434 5.548 1.00 0.00 N ATOM 795 CA LEU A 57 -0.732 5.297 4.635 1.00 0.00 C ATOM 796 C LEU A 57 -0.151 5.712 3.296 1.00 0.00 C ATOM 797 O LEU A 57 0.604 4.968 2.670 1.00 0.00 O ATOM 798 CB LEU A 57 -2.122 4.699 4.386 1.00 0.00 C ATOM 799 CG LEU A 57 -2.904 4.608 5.693 1.00 0.00 C ATOM 800 CD1 LEU A 57 -4.236 3.902 5.441 1.00 0.00 C ATOM 801 CD2 LEU A 57 -2.090 3.828 6.725 1.00 0.00 C ATOM 0 H LEU A 57 -1.733 6.550 5.989 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.080 4.559 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.667 5.315 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.024 3.708 3.943 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.095 5.611 6.074 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.795 3.837 6.374 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.815 4.467 4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.049 2.898 5.059 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.650 3.764 7.658 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.894 2.823 6.350 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.144 4.339 6.904 1.00 0.00 H new ATOM 813 N LEU A 58 -0.546 6.886 2.848 1.00 0.00 N ATOM 814 CA LEU A 58 -0.103 7.383 1.553 1.00 0.00 C ATOM 815 C LEU A 58 1.289 8.003 1.594 1.00 0.00 C ATOM 816 O LEU A 58 2.162 7.613 0.823 1.00 0.00 O ATOM 817 CB LEU A 58 -1.111 8.392 1.007 1.00 0.00 C ATOM 818 CG LEU A 58 -2.526 7.790 1.054 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.566 8.890 0.832 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.681 6.723 -0.038 1.00 0.00 C ATOM 0 H LEU A 58 -1.170 7.514 3.355 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.042 6.520 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.076 9.309 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.853 8.660 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.679 7.333 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.566 8.458 0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.470 9.645 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.404 9.353 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.686 6.303 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.518 7.176 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.950 5.931 0.121 1.00 0.00 H new ATOM 832 N THR A 59 1.500 8.957 2.482 1.00 0.00 N ATOM 833 CA THR A 59 2.808 9.596 2.573 1.00 0.00 C ATOM 834 C THR A 59 3.853 8.531 2.823 1.00 0.00 C ATOM 835 O THR A 59 5.034 8.712 2.526 1.00 0.00 O ATOM 836 CB THR A 59 2.849 10.645 3.691 1.00 0.00 C ATOM 837 OG1 THR A 59 3.732 10.206 4.714 1.00 0.00 O ATOM 838 CG2 THR A 59 1.455 10.845 4.271 1.00 0.00 C ATOM 0 H THR A 59 0.802 9.304 3.140 1.00 0.00 H new ATOM 0 HA THR A 59 3.010 10.113 1.635 1.00 0.00 H new ATOM 0 HB THR A 59 3.201 11.592 3.282 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.762 10.875 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.495 11.592 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.780 11.185 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.092 9.902 4.679 1.00 0.00 H new ATOM 846 N ASP A 60 3.396 7.403 3.352 1.00 0.00 N ATOM 847 CA ASP A 60 4.282 6.288 3.614 1.00 0.00 C ATOM 848 C ASP A 60 4.180 5.293 2.470 1.00 0.00 C ATOM 849 O ASP A 60 3.669 4.186 2.638 1.00 0.00 O ATOM 850 CB ASP A 60 3.907 5.600 4.923 1.00 0.00 C ATOM 851 CG ASP A 60 5.131 4.913 5.519 1.00 0.00 C ATOM 852 OD1 ASP A 60 5.992 5.614 6.024 1.00 0.00 O ATOM 853 OD2 ASP A 60 5.190 3.696 5.459 1.00 0.00 O ATOM 0 H ASP A 60 2.421 7.241 3.605 1.00 0.00 H new ATOM 0 HA ASP A 60 5.304 6.659 3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.511 6.331 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.119 4.868 4.746 1.00 0.00 H new ATOM 858 N GLU A 61 4.644 5.709 1.301 1.00 0.00 N ATOM 859 CA GLU A 61 4.577 4.869 0.123 1.00 0.00 C ATOM 860 C GLU A 61 3.205 5.021 -0.522 1.00 0.00 C ATOM 861 O GLU A 61 2.269 4.291 -0.193 1.00 0.00 O ATOM 862 CB GLU A 61 4.818 3.415 0.510 1.00 0.00 C ATOM 863 CG GLU A 61 5.376 2.649 -0.690 1.00 0.00 C ATOM 864 CD GLU A 61 5.058 1.164 -0.553 1.00 0.00 C ATOM 865 OE1 GLU A 61 5.639 0.533 0.314 1.00 0.00 O ATOM 866 OE2 GLU A 61 4.240 0.680 -1.318 1.00 0.00 O ATOM 0 H GLU A 61 5.070 6.623 1.147 1.00 0.00 H new ATOM 0 HA GLU A 61 5.346 5.172 -0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.517 3.362 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.887 2.958 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.945 3.038 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.454 2.794 -0.755 1.00 0.00 H new ATOM 873 N ARG A 62 3.082 5.992 -1.423 1.00 0.00 N ATOM 874 CA ARG A 62 1.812 6.250 -2.081 1.00 0.00 C ATOM 875 C ARG A 62 1.842 5.794 -3.527 1.00 0.00 C ATOM 876 O ARG A 62 1.234 4.788 -3.894 1.00 0.00 O ATOM 877 CB ARG A 62 1.504 7.750 -2.024 1.00 0.00 C ATOM 878 CG ARG A 62 2.810 8.541 -1.913 1.00 0.00 C ATOM 879 CD ARG A 62 2.544 10.004 -2.271 1.00 0.00 C ATOM 880 NE ARG A 62 3.802 10.708 -2.483 1.00 0.00 N ATOM 881 CZ ARG A 62 4.645 10.922 -1.479 1.00 0.00 C ATOM 882 NH1 ARG A 62 4.351 10.498 -0.280 1.00 0.00 N ATOM 883 NH2 ARG A 62 5.766 11.556 -1.690 1.00 0.00 N ATOM 0 H ARG A 62 3.843 6.608 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 62 1.036 5.689 -1.561 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.959 8.053 -2.918 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.862 7.967 -1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.208 8.468 -0.901 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.561 8.121 -2.582 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.932 10.060 -3.171 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.980 10.485 -1.471 1.00 0.00 H new ATOM 0 HE ARG A 62 4.039 11.042 -3.417 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.475 10.003 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.998 10.662 0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.996 11.888 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.412 11.720 -0.918 1.00 0.00 H new ATOM 897 N VAL A 63 2.541 6.557 -4.337 1.00 0.00 N ATOM 898 CA VAL A 63 2.652 6.259 -5.753 1.00 0.00 C ATOM 899 C VAL A 63 4.001 5.623 -6.071 1.00 0.00 C ATOM 900 O VAL A 63 4.228 4.448 -5.778 1.00 0.00 O ATOM 901 CB VAL A 63 2.461 7.551 -6.545 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.392 7.231 -8.035 1.00 0.00 C ATOM 903 CG2 VAL A 63 1.155 8.217 -6.100 1.00 0.00 C ATOM 0 H VAL A 63 3.044 7.393 -4.041 1.00 0.00 H new ATOM 0 HA VAL A 63 1.880 5.542 -6.034 1.00 0.00 H new ATOM 0 HB VAL A 63 3.299 8.224 -6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.256 8.154 -8.599 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.318 6.748 -8.347 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.553 6.562 -8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.009 9.141 -6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.320 7.542 -6.289 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.206 8.442 -5.035 1.00 0.00 H new ATOM 913 N LYS A 64 4.891 6.399 -6.673 1.00 0.00 N ATOM 914 CA LYS A 64 6.214 5.901 -7.029 1.00 0.00 C ATOM 915 C LYS A 64 6.098 4.738 -8.013 1.00 0.00 C ATOM 916 O LYS A 64 5.516 4.883 -9.087 1.00 0.00 O ATOM 917 CB LYS A 64 6.960 5.448 -5.772 1.00 0.00 C ATOM 918 CG LYS A 64 7.431 6.675 -4.985 1.00 0.00 C ATOM 919 CD LYS A 64 7.532 6.323 -3.500 1.00 0.00 C ATOM 920 CE LYS A 64 8.765 5.450 -3.269 1.00 0.00 C ATOM 921 NZ LYS A 64 8.695 4.845 -1.909 1.00 0.00 N ATOM 0 H LYS A 64 4.723 7.373 -6.925 1.00 0.00 H new ATOM 0 HA LYS A 64 6.773 6.707 -7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.308 4.833 -5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.814 4.829 -6.047 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.400 7.008 -5.357 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.734 7.501 -5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.599 7.232 -2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.634 5.796 -3.178 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.817 4.667 -4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.671 6.048 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.533 4.250 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.665 5.600 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.837 4.262 -1.832 1.00 0.00 H new ATOM 935 N GLU A 65 6.651 3.586 -7.645 1.00 0.00 N ATOM 936 CA GLU A 65 6.594 2.418 -8.515 1.00 0.00 C ATOM 937 C GLU A 65 7.408 1.265 -7.932 1.00 0.00 C ATOM 938 O GLU A 65 8.553 1.036 -8.324 1.00 0.00 O ATOM 939 CB GLU A 65 7.134 2.781 -9.902 1.00 0.00 C ATOM 940 CG GLU A 65 6.057 2.526 -10.960 1.00 0.00 C ATOM 941 CD GLU A 65 5.546 1.094 -10.850 1.00 0.00 C ATOM 942 OE1 GLU A 65 6.027 0.379 -9.989 1.00 0.00 O ATOM 943 OE2 GLU A 65 4.680 0.733 -11.632 1.00 0.00 O ATOM 0 H GLU A 65 7.138 3.438 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 65 5.555 2.100 -8.597 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.436 3.828 -9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.022 2.189 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.232 3.226 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.465 2.700 -11.956 1.00 0.00 H new ATOM 950 N PRO A 66 6.835 0.539 -7.011 1.00 0.00 N ATOM 951 CA PRO A 66 7.505 -0.618 -6.363 1.00 0.00 C ATOM 952 C PRO A 66 7.409 -1.878 -7.217 1.00 0.00 C ATOM 953 O PRO A 66 8.134 -2.023 -8.200 1.00 0.00 O ATOM 954 CB PRO A 66 6.733 -0.775 -5.055 1.00 0.00 C ATOM 955 CG PRO A 66 5.354 -0.282 -5.351 1.00 0.00 C ATOM 956 CD PRO A 66 5.478 0.745 -6.484 1.00 0.00 C ATOM 0 HA PRO A 66 8.574 -0.461 -6.217 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.718 -1.815 -4.729 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.194 -0.197 -4.254 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.705 -1.106 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.909 0.172 -4.466 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.723 0.582 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.344 1.762 -6.116 1.00 0.00 H new ATOM 964 N SER A 67 6.502 -2.773 -6.830 1.00 0.00 N ATOM 965 CA SER A 67 6.286 -4.028 -7.553 1.00 0.00 C ATOM 966 C SER A 67 7.322 -4.220 -8.649 1.00 0.00 C ATOM 967 O SER A 67 8.352 -4.863 -8.445 1.00 0.00 O ATOM 968 CB SER A 67 4.887 -4.036 -8.169 1.00 0.00 C ATOM 969 OG SER A 67 3.925 -4.264 -7.147 1.00 0.00 O ATOM 0 H SER A 67 5.901 -2.652 -6.015 1.00 0.00 H new ATOM 0 HA SER A 67 6.383 -4.848 -6.841 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.690 -3.085 -8.664 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.817 -4.813 -8.930 1.00 0.00 H new ATOM 0 HG SER A 67 3.027 -4.268 -7.538 1.00 0.00 H new ATOM 975 N GLN A 68 7.034 -3.652 -9.807 1.00 0.00 N ATOM 976 CA GLN A 68 7.937 -3.749 -10.949 1.00 0.00 C ATOM 977 C GLN A 68 9.376 -3.491 -10.512 1.00 0.00 C ATOM 978 O GLN A 68 9.652 -3.310 -9.327 1.00 0.00 O ATOM 979 CB GLN A 68 7.538 -2.730 -12.016 1.00 0.00 C ATOM 980 CG GLN A 68 6.600 -3.388 -13.028 1.00 0.00 C ATOM 981 CD GLN A 68 5.987 -2.326 -13.935 1.00 0.00 C ATOM 982 OE1 GLN A 68 6.554 -1.996 -14.976 1.00 0.00 O ATOM 983 NE2 GLN A 68 4.857 -1.767 -13.598 1.00 0.00 N ATOM 0 H GLN A 68 6.183 -3.118 -9.985 1.00 0.00 H new ATOM 0 HA GLN A 68 7.867 -4.755 -11.363 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.046 -1.875 -11.551 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.426 -2.351 -12.521 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.149 -4.116 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.812 -3.932 -12.507 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.389 -2.043 -12.734 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.442 -1.055 -14.198 1.00 0.00 H new ATOM 992 N ASP A 69 10.291 -3.473 -11.476 1.00 0.00 N ATOM 993 CA ASP A 69 11.696 -3.234 -11.169 1.00 0.00 C ATOM 994 C ASP A 69 12.009 -1.752 -11.204 1.00 0.00 C ATOM 995 O ASP A 69 12.542 -1.189 -10.248 1.00 0.00 O ATOM 996 CB ASP A 69 12.584 -3.968 -12.174 1.00 0.00 C ATOM 997 CG ASP A 69 12.471 -5.475 -11.967 1.00 0.00 C ATOM 998 OD1 ASP A 69 11.402 -5.921 -11.588 1.00 0.00 O ATOM 999 OD2 ASP A 69 13.457 -6.159 -12.190 1.00 0.00 O ATOM 0 H ASP A 69 10.088 -3.619 -12.465 1.00 0.00 H new ATOM 0 HA ASP A 69 11.895 -3.610 -10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 69 12.288 -3.709 -13.191 1.00 0.00 H new ATOM 0 HB3 ASP A 69 13.621 -3.653 -12.054 1.00 0.00 H new ATOM 1004 N THR A 70 11.664 -1.142 -12.314 1.00 0.00 N ATOM 1005 CA THR A 70 11.893 0.286 -12.514 1.00 0.00 C ATOM 1006 C THR A 70 13.133 0.744 -11.754 1.00 0.00 C ATOM 1007 O THR A 70 13.996 -0.063 -11.409 1.00 0.00 O ATOM 1008 CB THR A 70 10.679 1.085 -12.035 1.00 0.00 C ATOM 1009 OG1 THR A 70 10.518 0.901 -10.635 1.00 0.00 O ATOM 1010 CG2 THR A 70 9.425 0.601 -12.762 1.00 0.00 C ATOM 0 H THR A 70 11.219 -1.610 -13.104 1.00 0.00 H new ATOM 0 HA THR A 70 12.047 0.461 -13.579 1.00 0.00 H new ATOM 0 HB THR A 70 10.832 2.143 -12.249 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.593 0.640 -10.444 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.562 1.172 -12.419 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.550 0.742 -13.836 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.267 -0.457 -12.551 1.00 0.00 H new ATOM 1018 N VAL A 71 13.212 2.044 -11.491 1.00 0.00 N ATOM 1019 CA VAL A 71 14.347 2.603 -10.763 1.00 0.00 C ATOM 1020 C VAL A 71 15.604 1.778 -10.993 1.00 0.00 C ATOM 1021 O VAL A 71 15.755 1.099 -12.008 1.00 0.00 O ATOM 1022 CB VAL A 71 14.048 2.609 -9.261 1.00 0.00 C ATOM 1023 CG1 VAL A 71 14.951 3.626 -8.557 1.00 0.00 C ATOM 1024 CG2 VAL A 71 12.583 2.974 -9.023 1.00 0.00 C ATOM 0 H VAL A 71 12.508 2.728 -11.769 1.00 0.00 H new ATOM 0 HA VAL A 71 14.508 3.618 -11.127 1.00 0.00 H new ATOM 0 HB VAL A 71 14.240 1.615 -8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.735 3.627 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.995 3.356 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 71 14.767 4.620 -8.965 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.378 2.976 -7.952 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.384 3.964 -9.433 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.941 2.242 -9.514 1.00 0.00 H new ATOM 1034 N ALA A 72 16.491 1.841 -10.012 1.00 0.00 N ATOM 1035 CA ALA A 72 17.735 1.098 -10.048 1.00 0.00 C ATOM 1036 C ALA A 72 17.705 0.069 -8.934 1.00 0.00 C ATOM 1037 O ALA A 72 18.319 -0.995 -9.014 1.00 0.00 O ATOM 1038 CB ALA A 72 18.910 2.050 -9.838 1.00 0.00 C ATOM 0 H ALA A 72 16.367 2.407 -9.173 1.00 0.00 H new ATOM 0 HA ALA A 72 17.852 0.605 -11.013 1.00 0.00 H new ATOM 0 HB1 ALA A 72 19.843 1.488 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 72 18.915 2.801 -10.628 1.00 0.00 H new ATOM 0 HB3 ALA A 72 18.811 2.542 -8.870 1.00 0.00 H new ATOM 1044 N THR A 73 16.965 0.419 -7.895 1.00 0.00 N ATOM 1045 CA THR A 73 16.804 -0.434 -6.728 1.00 0.00 C ATOM 1046 C THR A 73 16.421 -1.852 -7.140 1.00 0.00 C ATOM 1047 O THR A 73 16.453 -2.197 -8.320 1.00 0.00 O ATOM 1048 CB THR A 73 15.715 0.140 -5.819 1.00 0.00 C ATOM 1049 OG1 THR A 73 15.511 1.510 -6.136 1.00 0.00 O ATOM 1050 CG2 THR A 73 16.144 0.008 -4.357 1.00 0.00 C ATOM 0 H THR A 73 16.459 1.303 -7.836 1.00 0.00 H new ATOM 0 HA THR A 73 17.754 -0.470 -6.195 1.00 0.00 H new ATOM 0 HB THR A 73 14.786 -0.410 -5.971 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.813 1.879 -5.556 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.367 0.417 -3.711 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.298 -1.044 -4.117 1.00 0.00 H new ATOM 0 HG23 THR A 73 17.073 0.556 -4.199 1.00 0.00 H new ATOM 1058 N GLU A 74 16.050 -2.668 -6.156 1.00 0.00 N ATOM 1059 CA GLU A 74 15.652 -4.046 -6.426 1.00 0.00 C ATOM 1060 C GLU A 74 14.135 -4.186 -6.321 1.00 0.00 C ATOM 1061 O GLU A 74 13.491 -3.476 -5.548 1.00 0.00 O ATOM 1062 CB GLU A 74 16.324 -4.995 -5.431 1.00 0.00 C ATOM 1063 CG GLU A 74 16.063 -4.513 -4.002 1.00 0.00 C ATOM 1064 CD GLU A 74 16.212 -5.673 -3.023 1.00 0.00 C ATOM 1065 OE1 GLU A 74 15.461 -6.627 -3.146 1.00 0.00 O ATOM 1066 OE2 GLU A 74 17.076 -5.591 -2.166 1.00 0.00 O ATOM 0 H GLU A 74 16.017 -2.401 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 74 15.967 -4.306 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.938 -6.006 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 74 17.397 -5.037 -5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 74 16.762 -3.717 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.060 -4.092 -3.929 1.00 0.00 H new ATOM 1073 N PRO A 75 13.559 -5.079 -7.081 1.00 0.00 N ATOM 1074 CA PRO A 75 12.086 -5.309 -7.076 1.00 0.00 C ATOM 1075 C PRO A 75 11.618 -6.009 -5.803 1.00 0.00 C ATOM 1076 O PRO A 75 12.387 -6.720 -5.155 1.00 0.00 O ATOM 1077 CB PRO A 75 11.849 -6.190 -8.303 1.00 0.00 C ATOM 1078 CG PRO A 75 13.146 -6.887 -8.552 1.00 0.00 C ATOM 1079 CD PRO A 75 14.251 -5.966 -8.029 1.00 0.00 C ATOM 0 HA PRO A 75 11.527 -4.374 -7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.047 -6.906 -8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 75 11.554 -5.591 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 75 13.172 -7.850 -8.042 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.280 -7.086 -9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.044 -6.532 -7.540 1.00 0.00 H new ATOM 0 HD3 PRO A 75 14.715 -5.401 -8.837 1.00 0.00 H new ATOM 1087 N SER A 76 10.352 -5.805 -5.453 1.00 0.00 N ATOM 1088 CA SER A 76 9.793 -6.420 -4.256 1.00 0.00 C ATOM 1089 C SER A 76 8.392 -6.959 -4.535 1.00 0.00 C ATOM 1090 O SER A 76 7.395 -6.284 -4.281 1.00 0.00 O ATOM 1091 CB SER A 76 9.732 -5.395 -3.124 1.00 0.00 C ATOM 1092 OG SER A 76 11.038 -4.890 -2.877 1.00 0.00 O ATOM 0 H SER A 76 9.699 -5.223 -5.977 1.00 0.00 H new ATOM 0 HA SER A 76 10.436 -7.249 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 76 9.059 -4.580 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.331 -5.856 -2.221 1.00 0.00 H new ATOM 0 HG SER A 76 11.002 -4.231 -2.152 1.00 0.00 H new ATOM 1098 N GLU A 77 8.328 -8.178 -5.058 1.00 0.00 N ATOM 1099 CA GLU A 77 7.047 -8.802 -5.367 1.00 0.00 C ATOM 1100 C GLU A 77 6.742 -9.914 -4.372 1.00 0.00 C ATOM 1101 O GLU A 77 5.672 -10.520 -4.412 1.00 0.00 O ATOM 1102 CB GLU A 77 7.078 -9.387 -6.779 1.00 0.00 C ATOM 1103 CG GLU A 77 7.506 -8.306 -7.774 1.00 0.00 C ATOM 1104 CD GLU A 77 6.525 -8.254 -8.940 1.00 0.00 C ATOM 1105 OE1 GLU A 77 5.443 -7.724 -8.755 1.00 0.00 O ATOM 1106 OE2 GLU A 77 6.871 -8.747 -10.001 1.00 0.00 O ATOM 0 H GLU A 77 9.143 -8.751 -5.276 1.00 0.00 H new ATOM 0 HA GLU A 77 6.270 -8.040 -5.302 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.771 -10.228 -6.820 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.094 -9.772 -7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.544 -7.337 -7.277 1.00 0.00 H new ATOM 0 HG3 GLU A 77 8.510 -8.516 -8.142 1.00 0.00 H new ATOM 1113 N VAL A 78 7.692 -10.181 -3.488 1.00 0.00 N ATOM 1114 CA VAL A 78 7.520 -11.230 -2.493 1.00 0.00 C ATOM 1115 C VAL A 78 7.868 -10.713 -1.101 1.00 0.00 C ATOM 1116 O VAL A 78 7.332 -9.696 -0.659 1.00 0.00 O ATOM 1117 CB VAL A 78 8.411 -12.420 -2.847 1.00 0.00 C ATOM 1118 CG1 VAL A 78 7.914 -13.667 -2.114 1.00 0.00 C ATOM 1119 CG2 VAL A 78 8.353 -12.658 -4.358 1.00 0.00 C ATOM 0 H VAL A 78 8.584 -9.690 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 78 6.477 -11.545 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 78 9.438 -12.211 -2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.550 -14.515 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.949 -13.495 -1.038 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.888 -13.881 -2.414 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.987 -13.506 -4.617 1.00 0.00 H new ATOM 0 HG22 VAL A 78 7.325 -12.869 -4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 78 8.705 -11.769 -4.880 1.00 0.00 H new ATOM 1129 N GLU A 79 8.764 -11.418 -0.414 1.00 0.00 N ATOM 1130 CA GLU A 79 9.173 -11.019 0.927 1.00 0.00 C ATOM 1131 C GLU A 79 9.001 -9.516 1.117 1.00 0.00 C ATOM 1132 O GLU A 79 9.147 -8.739 0.174 1.00 0.00 O ATOM 1133 CB GLU A 79 10.635 -11.400 1.165 1.00 0.00 C ATOM 1134 CG GLU A 79 10.783 -12.921 1.097 1.00 0.00 C ATOM 1135 CD GLU A 79 12.187 -13.289 0.631 1.00 0.00 C ATOM 1136 OE1 GLU A 79 12.552 -12.881 -0.459 1.00 0.00 O ATOM 1137 OE2 GLU A 79 12.875 -13.974 1.369 1.00 0.00 O ATOM 0 H GLU A 79 9.217 -12.263 -0.762 1.00 0.00 H new ATOM 0 HA GLU A 79 8.541 -11.539 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.271 -10.928 0.416 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.963 -11.035 2.138 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.590 -13.357 2.077 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.043 -13.336 0.412 1.00 0.00 H new ATOM 1144 N GLY A 80 8.688 -9.119 2.344 1.00 0.00 N ATOM 1145 CA GLY A 80 8.493 -7.708 2.656 1.00 0.00 C ATOM 1146 C GLY A 80 7.866 -7.546 4.037 1.00 0.00 C ATOM 1147 O GLY A 80 7.679 -6.429 4.519 1.00 0.00 O ATOM 0 H GLY A 80 8.564 -9.750 3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.450 -7.187 2.621 1.00 0.00 H new ATOM 0 HA3 GLY A 80 7.852 -7.249 1.903 1.00 0.00 H new ATOM 1151 N SER A 81 7.544 -8.673 4.668 1.00 0.00 N ATOM 1152 CA SER A 81 6.939 -8.652 5.994 1.00 0.00 C ATOM 1153 C SER A 81 8.008 -8.797 7.074 1.00 0.00 C ATOM 1154 O SER A 81 9.203 -8.711 6.792 1.00 0.00 O ATOM 1155 CB SER A 81 5.923 -9.788 6.124 1.00 0.00 C ATOM 1156 OG SER A 81 5.570 -10.254 4.827 1.00 0.00 O ATOM 0 H SER A 81 7.692 -9.606 4.284 1.00 0.00 H new ATOM 0 HA SER A 81 6.433 -7.696 6.126 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.344 -10.602 6.713 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.035 -9.439 6.652 1.00 0.00 H new ATOM 0 HG SER A 81 4.920 -10.983 4.907 1.00 0.00 H new ATOM 1162 N ALA A 82 7.569 -9.018 8.308 1.00 0.00 N ATOM 1163 CA ALA A 82 8.493 -9.174 9.422 1.00 0.00 C ATOM 1164 C ALA A 82 9.705 -10.007 9.011 1.00 0.00 C ATOM 1165 O ALA A 82 9.739 -10.572 7.918 1.00 0.00 O ATOM 1166 CB ALA A 82 7.777 -9.846 10.593 1.00 0.00 C ATOM 0 H ALA A 82 6.584 -9.093 8.560 1.00 0.00 H new ATOM 0 HA ALA A 82 8.841 -8.186 9.724 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.471 -9.962 11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.934 -9.230 10.906 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.415 -10.826 10.284 1.00 0.00 H new ATOM 1172 N ALA A 83 10.693 -10.078 9.896 1.00 0.00 N ATOM 1173 CA ALA A 83 11.903 -10.845 9.616 1.00 0.00 C ATOM 1174 C ALA A 83 12.848 -10.805 10.813 1.00 0.00 C ATOM 1175 O ALA A 83 12.408 -10.792 11.963 1.00 0.00 O ATOM 1176 CB ALA A 83 12.612 -10.277 8.386 1.00 0.00 C ATOM 0 H ALA A 83 10.682 -9.618 10.806 1.00 0.00 H new ATOM 0 HA ALA A 83 11.618 -11.879 9.423 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.513 -10.856 8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.946 -10.332 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.882 -9.237 8.570 1.00 0.00 H new ATOM 1182 N ASN A 84 14.146 -10.782 10.535 1.00 0.00 N ATOM 1183 CA ASN A 84 15.141 -10.740 11.599 1.00 0.00 C ATOM 1184 C ASN A 84 15.052 -9.421 12.358 1.00 0.00 C ATOM 1185 O ASN A 84 15.757 -9.212 13.346 1.00 0.00 O ATOM 1186 CB ASN A 84 16.544 -10.900 11.013 1.00 0.00 C ATOM 1187 CG ASN A 84 16.781 -12.354 10.623 1.00 0.00 C ATOM 1188 OD1 ASN A 84 15.877 -12.987 9.928 1.00 0.00 O flip ATOM 1189 ND2 ASN A 84 17.816 -12.928 10.960 1.00 0.00 N flip ATOM 0 H ASN A 84 14.532 -10.792 9.591 1.00 0.00 H new ATOM 0 HA ASN A 84 14.943 -11.560 12.289 1.00 0.00 H new ATOM 0 HB2 ASN A 84 16.658 -10.257 10.140 1.00 0.00 H new ATOM 0 HB3 ASN A 84 17.290 -10.584 11.742 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.521 -12.430 11.504 1.00 0.00 H new ATOM 0 HD22 ASN A 84 17.969 -13.901 10.696 1.00 0.00 H new ATOM 1196 N LYS A 85 14.181 -8.535 11.890 1.00 0.00 N ATOM 1197 CA LYS A 85 14.006 -7.239 12.530 1.00 0.00 C ATOM 1198 C LYS A 85 13.313 -7.395 13.874 1.00 0.00 C ATOM 1199 O LYS A 85 13.954 -7.384 14.926 1.00 0.00 O ATOM 1200 CB LYS A 85 13.184 -6.318 11.628 1.00 0.00 C ATOM 1201 CG LYS A 85 13.421 -4.863 12.035 1.00 0.00 C ATOM 1202 CD LYS A 85 12.211 -4.017 11.636 1.00 0.00 C ATOM 1203 CE LYS A 85 12.276 -2.668 12.351 1.00 0.00 C ATOM 1204 NZ LYS A 85 13.153 -1.740 11.582 1.00 0.00 N ATOM 0 H LYS A 85 13.588 -8.690 11.074 1.00 0.00 H new ATOM 0 HA LYS A 85 14.990 -6.799 12.694 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.466 -6.466 10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.125 -6.562 11.710 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.585 -4.797 13.111 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.320 -4.481 11.552 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.198 -3.868 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.289 -4.536 11.898 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.276 -2.246 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 85 12.664 -2.798 13.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.198 -0.822 12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 14.109 -2.143 11.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.765 -1.607 10.626 1.00 0.00 H new ATOM 1218 N GLU A 86 12.001 -7.537 13.824 1.00 0.00 N ATOM 1219 CA GLU A 86 11.205 -7.696 15.035 1.00 0.00 C ATOM 1220 C GLU A 86 11.999 -8.429 16.106 1.00 0.00 C ATOM 1221 O GLU A 86 11.776 -8.241 17.302 1.00 0.00 O ATOM 1222 CB GLU A 86 9.923 -8.472 14.721 1.00 0.00 C ATOM 1223 CG GLU A 86 8.750 -7.865 15.492 1.00 0.00 C ATOM 1224 CD GLU A 86 8.056 -6.812 14.635 1.00 0.00 C ATOM 1225 OE1 GLU A 86 7.739 -7.118 13.497 1.00 0.00 O ATOM 1226 OE2 GLU A 86 7.854 -5.714 15.128 1.00 0.00 O ATOM 0 H GLU A 86 11.461 -7.546 12.959 1.00 0.00 H new ATOM 0 HA GLU A 86 10.945 -6.706 15.409 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.721 -8.442 13.650 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.045 -9.520 14.993 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.042 -8.646 15.768 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.106 -7.415 16.419 1.00 0.00 H new ATOM 1233 N VAL A 87 12.928 -9.257 15.662 1.00 0.00 N ATOM 1234 CA VAL A 87 13.768 -10.017 16.581 1.00 0.00 C ATOM 1235 C VAL A 87 15.013 -10.530 15.872 1.00 0.00 C ATOM 1236 O VAL A 87 14.924 -11.160 14.818 1.00 0.00 O ATOM 1237 CB VAL A 87 13.000 -11.211 17.146 1.00 0.00 C ATOM 1238 CG1 VAL A 87 13.946 -12.067 17.991 1.00 0.00 C ATOM 1239 CG2 VAL A 87 11.847 -10.714 18.021 1.00 0.00 C ATOM 0 H VAL A 87 13.122 -9.422 14.674 1.00 0.00 H new ATOM 0 HA VAL A 87 14.059 -9.350 17.392 1.00 0.00 H new ATOM 0 HB VAL A 87 12.600 -11.806 16.325 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.401 -12.920 18.396 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.768 -12.423 17.369 1.00 0.00 H new ATOM 0 HG13 VAL A 87 14.344 -11.469 18.811 1.00 0.00 H new ATOM 0 HG21 VAL A 87 11.301 -11.568 18.423 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.244 -10.118 18.843 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.173 -10.102 17.422 1.00 0.00 H new ATOM 1249 N LEU A 88 16.170 -10.273 16.466 1.00 0.00 N ATOM 1250 CA LEU A 88 17.425 -10.731 15.891 1.00 0.00 C ATOM 1251 C LEU A 88 17.762 -12.105 16.438 1.00 0.00 C ATOM 1252 O LEU A 88 18.400 -12.922 15.776 1.00 0.00 O ATOM 1253 CB LEU A 88 18.546 -9.751 16.229 1.00 0.00 C ATOM 1254 CG LEU A 88 19.871 -10.274 15.666 1.00 0.00 C ATOM 1255 CD1 LEU A 88 20.401 -9.295 14.618 1.00 0.00 C ATOM 1256 CD2 LEU A 88 20.889 -10.408 16.800 1.00 0.00 C ATOM 0 H LEU A 88 16.265 -9.754 17.339 1.00 0.00 H new ATOM 0 HA LEU A 88 17.321 -10.787 14.807 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.323 -8.769 15.811 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.622 -9.627 17.309 1.00 0.00 H new ATOM 0 HG LEU A 88 19.711 -11.248 15.205 1.00 0.00 H new ATOM 0 HD11 LEU A 88 21.344 -9.667 14.217 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.676 -9.199 13.810 1.00 0.00 H new ATOM 0 HD13 LEU A 88 20.562 -8.320 15.079 1.00 0.00 H new ATOM 0 HD21 LEU A 88 21.832 -10.780 16.400 1.00 0.00 H new ATOM 0 HD22 LEU A 88 21.050 -9.434 17.262 1.00 0.00 H new ATOM 0 HD23 LEU A 88 20.511 -11.106 17.547 1.00 0.00 H new ATOM 1268 N ALA A 89 17.308 -12.342 17.652 1.00 0.00 N ATOM 1269 CA ALA A 89 17.532 -13.616 18.314 1.00 0.00 C ATOM 1270 C ALA A 89 18.979 -14.068 18.140 1.00 0.00 C ATOM 1271 O ALA A 89 19.817 -13.321 17.635 1.00 0.00 O ATOM 1272 CB ALA A 89 16.588 -14.662 17.726 1.00 0.00 C ATOM 0 H ALA A 89 16.779 -11.667 18.204 1.00 0.00 H new ATOM 0 HA ALA A 89 17.336 -13.499 19.380 1.00 0.00 H new ATOM 0 HB1 ALA A 89 16.753 -15.620 18.220 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.556 -14.348 17.879 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.781 -14.767 16.658 1.00 0.00 H new ATOM 1278 N LYS A 90 19.266 -15.296 18.563 1.00 0.00 N ATOM 1279 CA LYS A 90 20.616 -15.838 18.451 1.00 0.00 C ATOM 1280 C LYS A 90 20.701 -16.820 17.285 1.00 0.00 C ATOM 1281 O LYS A 90 19.901 -16.761 16.352 1.00 0.00 O ATOM 1282 CB LYS A 90 21.000 -16.555 19.749 1.00 0.00 C ATOM 1283 CG LYS A 90 22.454 -16.237 20.113 1.00 0.00 C ATOM 1284 CD LYS A 90 22.493 -15.038 21.063 1.00 0.00 C ATOM 1285 CE LYS A 90 22.119 -13.767 20.300 1.00 0.00 C ATOM 1286 NZ LYS A 90 22.431 -12.574 21.137 1.00 0.00 N ATOM 0 H LYS A 90 18.587 -15.930 18.984 1.00 0.00 H new ATOM 0 HA LYS A 90 21.306 -15.013 18.272 1.00 0.00 H new ATOM 0 HB2 LYS A 90 20.338 -16.243 20.556 1.00 0.00 H new ATOM 0 HB3 LYS A 90 20.873 -17.631 19.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 22.920 -17.103 20.584 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.026 -16.019 19.211 1.00 0.00 H new ATOM 0 HD2 LYS A 90 21.801 -15.194 21.891 1.00 0.00 H new ATOM 0 HD3 LYS A 90 23.489 -14.935 21.495 1.00 0.00 H new ATOM 0 HE2 LYS A 90 22.669 -13.719 19.360 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.059 -13.780 20.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 22.177 -11.710 20.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 21.887 -12.619 22.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 23.448 -12.560 21.356 1.00 0.00 H new ATOM 1300 N VAL A 91 21.674 -17.723 17.351 1.00 0.00 N ATOM 1301 CA VAL A 91 21.854 -18.716 16.298 1.00 0.00 C ATOM 1302 C VAL A 91 22.259 -18.048 14.990 1.00 0.00 C ATOM 1303 O VAL A 91 22.053 -18.601 13.910 1.00 0.00 O ATOM 1304 CB VAL A 91 20.557 -19.498 16.089 1.00 0.00 C ATOM 1305 CG1 VAL A 91 20.852 -20.766 15.285 1.00 0.00 C ATOM 1306 CG2 VAL A 91 19.966 -19.880 17.448 1.00 0.00 C ATOM 0 H VAL A 91 22.345 -17.788 18.116 1.00 0.00 H new ATOM 0 HA VAL A 91 22.647 -19.398 16.605 1.00 0.00 H new ATOM 0 HB VAL A 91 19.843 -18.880 15.545 1.00 0.00 H new ATOM 0 HG11 VAL A 91 19.928 -21.325 15.135 1.00 0.00 H new ATOM 0 HG12 VAL A 91 21.272 -20.493 14.317 1.00 0.00 H new ATOM 0 HG13 VAL A 91 21.566 -21.384 15.829 1.00 0.00 H new ATOM 0 HG21 VAL A 91 19.041 -20.437 17.299 1.00 0.00 H new ATOM 0 HG22 VAL A 91 20.679 -20.498 17.994 1.00 0.00 H new ATOM 0 HG23 VAL A 91 19.757 -18.976 18.021 1.00 0.00 H new ATOM 1316 N ILE A 92 22.835 -16.856 15.092 1.00 0.00 N ATOM 1317 CA ILE A 92 23.263 -16.126 13.906 1.00 0.00 C ATOM 1318 C ILE A 92 23.861 -17.081 12.878 1.00 0.00 C ATOM 1319 O ILE A 92 24.706 -17.914 13.207 1.00 0.00 O ATOM 1320 CB ILE A 92 24.301 -15.069 14.288 1.00 0.00 C ATOM 1321 CG1 ILE A 92 25.323 -15.684 15.247 1.00 0.00 C ATOM 1322 CG2 ILE A 92 23.606 -13.892 14.973 1.00 0.00 C ATOM 1323 CD1 ILE A 92 26.273 -14.596 15.750 1.00 0.00 C ATOM 0 H ILE A 92 23.015 -16.378 15.975 1.00 0.00 H new ATOM 0 HA ILE A 92 22.392 -15.637 13.469 1.00 0.00 H new ATOM 0 HB ILE A 92 24.808 -14.717 13.389 1.00 0.00 H new ATOM 0 HG12 ILE A 92 24.812 -16.152 16.088 1.00 0.00 H new ATOM 0 HG13 ILE A 92 25.887 -16.468 14.741 1.00 0.00 H new ATOM 0 HG21 ILE A 92 24.347 -13.140 15.245 1.00 0.00 H new ATOM 0 HG22 ILE A 92 22.877 -13.454 14.292 1.00 0.00 H new ATOM 0 HG23 ILE A 92 23.098 -14.242 15.872 1.00 0.00 H new ATOM 0 HD11 ILE A 92 27.000 -15.035 16.433 1.00 0.00 H new ATOM 0 HD12 ILE A 92 26.794 -14.148 14.904 1.00 0.00 H new ATOM 0 HD13 ILE A 92 25.703 -13.828 16.272 1.00 0.00 H new ATOM 1335 N ASP A 93 23.418 -16.953 11.632 1.00 0.00 N ATOM 1336 CA ASP A 93 23.918 -17.807 10.563 1.00 0.00 C ATOM 1337 C ASP A 93 23.468 -17.277 9.216 1.00 0.00 C ATOM 1338 O ASP A 93 22.280 -17.274 8.895 1.00 0.00 O ATOM 1339 CB ASP A 93 23.425 -19.243 10.751 1.00 0.00 C ATOM 1340 CG ASP A 93 24.017 -20.142 9.672 1.00 0.00 C ATOM 1341 OD1 ASP A 93 24.642 -19.615 8.766 1.00 0.00 O ATOM 1342 OD2 ASP A 93 23.836 -21.345 9.765 1.00 0.00 O ATOM 0 H ASP A 93 22.718 -16.271 11.339 1.00 0.00 H new ATOM 0 HA ASP A 93 25.007 -17.804 10.599 1.00 0.00 H new ATOM 0 HB2 ASP A 93 23.711 -19.608 11.737 1.00 0.00 H new ATOM 0 HB3 ASP A 93 22.336 -19.272 10.703 1.00 0.00 H new ATOM 1347 N LEU A 94 24.433 -16.812 8.443 1.00 0.00 N ATOM 1348 CA LEU A 94 24.151 -16.256 7.138 1.00 0.00 C ATOM 1349 C LEU A 94 25.079 -16.844 6.088 1.00 0.00 C ATOM 1350 O LEU A 94 24.638 -17.349 5.056 1.00 0.00 O ATOM 1351 CB LEU A 94 24.325 -14.746 7.206 1.00 0.00 C ATOM 1352 CG LEU A 94 25.506 -14.391 8.116 1.00 0.00 C ATOM 1353 CD1 LEU A 94 26.406 -13.376 7.410 1.00 0.00 C ATOM 1354 CD2 LEU A 94 24.982 -13.781 9.418 1.00 0.00 C ATOM 0 H LEU A 94 25.420 -16.810 8.700 1.00 0.00 H new ATOM 0 HA LEU A 94 23.128 -16.502 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 94 24.494 -14.346 6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 94 23.413 -14.284 7.584 1.00 0.00 H new ATOM 0 HG LEU A 94 26.076 -15.293 8.338 1.00 0.00 H new ATOM 0 HD11 LEU A 94 27.246 -13.123 8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 94 26.780 -13.806 6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 94 25.834 -12.475 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 94 25.822 -13.528 10.065 1.00 0.00 H new ATOM 0 HD22 LEU A 94 24.413 -12.879 9.194 1.00 0.00 H new ATOM 0 HD23 LEU A 94 24.338 -14.500 9.923 1.00 0.00 H new ATOM 1366 N THR A 95 26.362 -16.776 6.374 1.00 0.00 N ATOM 1367 CA THR A 95 27.375 -17.302 5.471 1.00 0.00 C ATOM 1368 C THR A 95 27.425 -18.824 5.563 1.00 0.00 C ATOM 1369 O THR A 95 26.493 -19.453 6.063 1.00 0.00 O ATOM 1370 CB THR A 95 28.744 -16.720 5.833 1.00 0.00 C ATOM 1371 OG1 THR A 95 28.650 -16.039 7.077 1.00 0.00 O ATOM 1372 CG2 THR A 95 29.193 -15.742 4.747 1.00 0.00 C ATOM 0 H THR A 95 26.734 -16.360 7.228 1.00 0.00 H new ATOM 0 HA THR A 95 27.118 -17.017 4.451 1.00 0.00 H new ATOM 0 HB THR A 95 29.472 -17.527 5.911 1.00 0.00 H new ATOM 0 HG1 THR A 95 28.554 -16.692 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 95 30.168 -15.330 5.009 1.00 0.00 H new ATOM 0 HG22 THR A 95 29.264 -16.265 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 95 28.468 -14.933 4.664 1.00 0.00 H new ATOM 1380 N HIS A 96 28.517 -19.411 5.082 1.00 0.00 N ATOM 1381 CA HIS A 96 28.668 -20.860 5.122 1.00 0.00 C ATOM 1382 C HIS A 96 27.466 -21.537 4.467 1.00 0.00 C ATOM 1383 O HIS A 96 27.119 -21.234 3.327 1.00 0.00 O ATOM 1384 CB HIS A 96 28.794 -21.326 6.574 1.00 0.00 C ATOM 1385 CG HIS A 96 29.260 -22.756 6.609 1.00 0.00 C ATOM 1386 ND1 HIS A 96 28.430 -23.793 7.004 1.00 0.00 N ATOM 1387 CD2 HIS A 96 30.467 -23.337 6.306 1.00 0.00 C ATOM 1388 CE1 HIS A 96 29.142 -24.933 6.931 1.00 0.00 C ATOM 1389 NE2 HIS A 96 30.390 -24.712 6.512 1.00 0.00 N ATOM 0 H HIS A 96 29.302 -18.911 4.664 1.00 0.00 H new ATOM 0 HA HIS A 96 29.569 -21.135 4.573 1.00 0.00 H new ATOM 0 HB2 HIS A 96 29.499 -20.691 7.110 1.00 0.00 H new ATOM 0 HB3 HIS A 96 27.833 -21.234 7.080 1.00 0.00 H new ATOM 0 HD1 HIS A 96 27.457 -23.708 7.297 1.00 0.00 H new ATOM 0 HD2 HIS A 96 31.343 -22.808 5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 96 28.751 -25.908 7.181 1.00 0.00 H new ATOM 1397 N ASP A 97 26.833 -22.448 5.200 1.00 0.00 N ATOM 1398 CA ASP A 97 25.669 -23.154 4.679 1.00 0.00 C ATOM 1399 C ASP A 97 24.386 -22.487 5.166 1.00 0.00 C ATOM 1400 O ASP A 97 23.922 -22.747 6.277 1.00 0.00 O ATOM 1401 CB ASP A 97 25.695 -24.615 5.134 1.00 0.00 C ATOM 1402 CG ASP A 97 25.511 -24.695 6.645 1.00 0.00 C ATOM 1403 OD1 ASP A 97 25.921 -23.766 7.323 1.00 0.00 O ATOM 1404 OD2 ASP A 97 24.961 -25.683 7.104 1.00 0.00 O ATOM 0 H ASP A 97 27.104 -22.712 6.147 1.00 0.00 H new ATOM 0 HA ASP A 97 25.697 -23.117 3.590 1.00 0.00 H new ATOM 0 HB2 ASP A 97 24.905 -25.174 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 97 26.641 -25.076 4.850 1.00 0.00 H new ATOM 1409 N ASN A 98 23.823 -21.620 4.331 1.00 0.00 N ATOM 1410 CA ASN A 98 22.598 -20.914 4.690 1.00 0.00 C ATOM 1411 C ASN A 98 21.417 -21.422 3.869 1.00 0.00 C ATOM 1412 O ASN A 98 21.588 -21.861 2.733 1.00 0.00 O ATOM 1413 CB ASN A 98 22.778 -19.415 4.448 1.00 0.00 C ATOM 1414 CG ASN A 98 23.798 -19.187 3.338 1.00 0.00 C ATOM 1415 OD1 ASN A 98 23.433 -19.095 2.167 1.00 0.00 O ATOM 1416 ND2 ASN A 98 25.065 -19.091 3.638 1.00 0.00 N ATOM 0 H ASN A 98 24.192 -21.390 3.408 1.00 0.00 H new ATOM 0 HA ASN A 98 22.393 -21.097 5.745 1.00 0.00 H new ATOM 0 HB2 ASN A 98 21.824 -18.965 4.175 1.00 0.00 H new ATOM 0 HB3 ASN A 98 23.110 -18.927 5.364 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.754 -18.939 2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.366 -19.167 4.609 1.00 0.00 H new ATOM 1423 N LYS A 99 20.224 -21.350 4.458 1.00 0.00 N ATOM 1424 CA LYS A 99 19.004 -21.795 3.786 1.00 0.00 C ATOM 1425 C LYS A 99 19.244 -23.082 2.999 1.00 0.00 C ATOM 1426 O LYS A 99 18.403 -23.500 2.204 1.00 0.00 O ATOM 1427 CB LYS A 99 18.490 -20.687 2.857 1.00 0.00 C ATOM 1428 CG LYS A 99 18.958 -20.927 1.417 1.00 0.00 C ATOM 1429 CD LYS A 99 19.094 -19.586 0.700 1.00 0.00 C ATOM 1430 CE LYS A 99 20.361 -18.875 1.183 1.00 0.00 C ATOM 1431 NZ LYS A 99 21.185 -18.473 0.008 1.00 0.00 N ATOM 0 H LYS A 99 20.076 -20.987 5.400 1.00 0.00 H new ATOM 0 HA LYS A 99 18.250 -22.006 4.545 1.00 0.00 H new ATOM 0 HB2 LYS A 99 17.401 -20.654 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.849 -19.718 3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 99 19.913 -21.452 1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.245 -21.562 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.140 -19.741 -0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 99 18.219 -18.966 0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.096 -17.997 1.772 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.935 -19.534 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.046 -17.990 0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 21.449 -19.319 -0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 20.636 -17.829 -0.597 1.00 0.00 H new ATOM 1445 N ASP A 100 20.395 -23.702 3.225 1.00 0.00 N ATOM 1446 CA ASP A 100 20.735 -24.937 2.530 1.00 0.00 C ATOM 1447 C ASP A 100 19.546 -25.891 2.511 1.00 0.00 C ATOM 1448 O ASP A 100 19.487 -26.803 1.692 1.00 0.00 O ATOM 1449 CB ASP A 100 21.918 -25.616 3.222 1.00 0.00 C ATOM 1450 CG ASP A 100 22.789 -26.326 2.192 1.00 0.00 C ATOM 1451 OD1 ASP A 100 23.034 -25.744 1.148 1.00 0.00 O ATOM 1452 OD2 ASP A 100 23.201 -27.443 2.462 1.00 0.00 O ATOM 0 H ASP A 100 21.105 -23.373 3.880 1.00 0.00 H new ATOM 0 HA ASP A 100 21.003 -24.688 1.503 1.00 0.00 H new ATOM 0 HB2 ASP A 100 22.509 -24.875 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 100 21.556 -26.332 3.960 1.00 0.00 H new ATOM 1457 N ASP A 101 18.603 -25.684 3.422 1.00 0.00 N ATOM 1458 CA ASP A 101 17.430 -26.550 3.491 1.00 0.00 C ATOM 1459 C ASP A 101 16.663 -26.534 2.170 1.00 0.00 C ATOM 1460 O ASP A 101 16.502 -27.571 1.520 1.00 0.00 O ATOM 1461 CB ASP A 101 16.509 -26.083 4.619 1.00 0.00 C ATOM 1462 CG ASP A 101 16.131 -27.263 5.508 1.00 0.00 C ATOM 1463 OD1 ASP A 101 15.998 -28.355 4.982 1.00 0.00 O ATOM 1464 OD2 ASP A 101 15.981 -27.055 6.701 1.00 0.00 O ATOM 0 H ASP A 101 18.625 -24.936 4.115 1.00 0.00 H new ATOM 0 HA ASP A 101 17.767 -27.568 3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 101 17.007 -25.316 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 101 15.610 -25.630 4.201 1.00 0.00 H new ATOM 1469 N LEU A 102 16.196 -25.355 1.776 1.00 0.00 N ATOM 1470 CA LEU A 102 15.448 -25.225 0.531 1.00 0.00 C ATOM 1471 C LEU A 102 16.380 -25.126 -0.651 1.00 0.00 C ATOM 1472 O LEU A 102 16.032 -25.527 -1.739 1.00 0.00 O ATOM 1473 CB LEU A 102 14.589 -23.966 0.547 1.00 0.00 C ATOM 1474 CG LEU A 102 15.504 -22.751 0.765 1.00 0.00 C ATOM 1475 CD1 LEU A 102 15.993 -22.188 -0.580 1.00 0.00 C ATOM 1476 CD2 LEU A 102 14.738 -21.667 1.520 1.00 0.00 C ATOM 0 H LEU A 102 16.320 -24.485 2.293 1.00 0.00 H new ATOM 0 HA LEU A 102 14.821 -26.112 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 102 14.046 -23.867 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 102 13.844 -24.026 1.341 1.00 0.00 H new ATOM 0 HG LEU A 102 16.370 -23.068 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 102 16.639 -21.329 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 102 16.551 -22.957 -1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 102 15.136 -21.879 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 102 15.386 -20.805 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.866 -21.366 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 102 14.414 -22.056 2.485 1.00 0.00 H new ATOM 1488 N GLN A 103 17.556 -24.569 -0.445 1.00 0.00 N ATOM 1489 CA GLN A 103 18.495 -24.416 -1.541 1.00 0.00 C ATOM 1490 C GLN A 103 18.992 -25.769 -1.983 1.00 0.00 C ATOM 1491 O GLN A 103 19.246 -26.009 -3.164 1.00 0.00 O ATOM 1492 CB GLN A 103 19.666 -23.548 -1.094 1.00 0.00 C ATOM 1493 CG GLN A 103 19.897 -22.421 -2.105 1.00 0.00 C ATOM 1494 CD GLN A 103 20.736 -22.932 -3.271 1.00 0.00 C ATOM 1495 OE1 GLN A 103 20.271 -23.757 -4.056 1.00 0.00 O ATOM 1496 NE2 GLN A 103 21.952 -22.488 -3.429 1.00 0.00 N ATOM 0 H GLN A 103 17.882 -24.219 0.456 1.00 0.00 H new ATOM 0 HA GLN A 103 17.994 -23.934 -2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 103 19.463 -23.128 -0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 103 20.566 -24.156 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 103 18.941 -22.047 -2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 103 20.402 -21.585 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 103 22.334 -21.804 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 103 22.521 -22.825 -4.206 1.00 0.00 H new ATOM 1505 N ALA A 104 19.115 -26.647 -1.019 1.00 0.00 N ATOM 1506 CA ALA A 104 19.573 -27.982 -1.284 1.00 0.00 C ATOM 1507 C ALA A 104 18.428 -28.837 -1.808 1.00 0.00 C ATOM 1508 O ALA A 104 18.565 -29.506 -2.831 1.00 0.00 O ATOM 1509 CB ALA A 104 20.155 -28.576 -0.009 1.00 0.00 C ATOM 0 H ALA A 104 18.902 -26.457 -0.040 1.00 0.00 H new ATOM 0 HA ALA A 104 20.350 -27.957 -2.048 1.00 0.00 H new ATOM 0 HB1 ALA A 104 20.504 -29.590 -0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 104 20.991 -27.964 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 104 19.387 -28.600 0.764 1.00 0.00 H new ATOM 1515 N ALA A 105 17.288 -28.791 -1.126 1.00 0.00 N ATOM 1516 CA ALA A 105 16.130 -29.550 -1.577 1.00 0.00 C ATOM 1517 C ALA A 105 15.718 -29.047 -2.955 1.00 0.00 C ATOM 1518 O ALA A 105 15.412 -29.827 -3.861 1.00 0.00 O ATOM 1519 CB ALA A 105 14.971 -29.372 -0.593 1.00 0.00 C ATOM 0 H ALA A 105 17.143 -28.247 -0.275 1.00 0.00 H new ATOM 0 HA ALA A 105 16.384 -30.609 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 105 14.109 -29.943 -0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 105 15.272 -29.729 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 105 14.705 -28.317 -0.531 1.00 0.00 H new ATOM 1525 N ILE A 106 15.732 -27.728 -3.096 1.00 0.00 N ATOM 1526 CA ILE A 106 15.376 -27.081 -4.349 1.00 0.00 C ATOM 1527 C ILE A 106 16.378 -27.417 -5.432 1.00 0.00 C ATOM 1528 O ILE A 106 16.001 -27.670 -6.563 1.00 0.00 O ATOM 1529 CB ILE A 106 15.351 -25.573 -4.183 1.00 0.00 C ATOM 1530 CG1 ILE A 106 14.198 -25.169 -3.253 1.00 0.00 C ATOM 1531 CG2 ILE A 106 15.156 -24.928 -5.551 1.00 0.00 C ATOM 1532 CD1 ILE A 106 12.920 -24.967 -4.070 1.00 0.00 C ATOM 0 H ILE A 106 15.989 -27.082 -2.350 1.00 0.00 H new ATOM 0 HA ILE A 106 14.388 -27.444 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 106 16.291 -25.237 -3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.040 -25.940 -2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.451 -24.251 -2.723 1.00 0.00 H new ATOM 0 HG21 ILE A 106 15.137 -23.844 -5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 106 15.978 -25.212 -6.208 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.214 -25.266 -5.982 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.105 -24.680 -3.406 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.080 -24.181 -4.808 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.663 -25.896 -4.580 1.00 0.00 H new ATOM 1544 N ALA A 107 17.656 -27.394 -5.080 1.00 0.00 N ATOM 1545 CA ALA A 107 18.708 -27.683 -6.045 1.00 0.00 C ATOM 1546 C ALA A 107 18.657 -29.140 -6.487 1.00 0.00 C ATOM 1547 O ALA A 107 18.708 -29.439 -7.680 1.00 0.00 O ATOM 1548 CB ALA A 107 20.067 -27.391 -5.422 1.00 0.00 C ATOM 0 H ALA A 107 17.988 -27.180 -4.140 1.00 0.00 H new ATOM 0 HA ALA A 107 18.555 -27.050 -6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 107 20.853 -27.608 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 107 20.118 -26.341 -5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 107 20.204 -28.015 -4.539 1.00 0.00 H new ATOM 1554 N LEU A 108 18.561 -30.042 -5.521 1.00 0.00 N ATOM 1555 CA LEU A 108 18.509 -31.467 -5.821 1.00 0.00 C ATOM 1556 C LEU A 108 17.302 -31.789 -6.696 1.00 0.00 C ATOM 1557 O LEU A 108 17.381 -32.624 -7.597 1.00 0.00 O ATOM 1558 CB LEU A 108 18.429 -32.267 -4.518 1.00 0.00 C ATOM 1559 CG LEU A 108 19.446 -33.411 -4.553 1.00 0.00 C ATOM 1560 CD1 LEU A 108 19.598 -34.000 -3.149 1.00 0.00 C ATOM 1561 CD2 LEU A 108 18.956 -34.501 -5.511 1.00 0.00 C ATOM 0 H LEU A 108 18.518 -29.815 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 108 19.414 -31.741 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 108 18.629 -31.616 -3.667 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.423 -32.665 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 108 20.408 -33.031 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 108 20.322 -34.815 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 108 19.945 -33.226 -2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.635 -34.380 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 108 19.680 -35.316 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.994 -34.881 -5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 108 18.845 -34.083 -6.512 1.00 0.00 H new ATOM 1573 N SER A 109 16.181 -31.128 -6.424 1.00 0.00 N ATOM 1574 CA SER A 109 14.965 -31.366 -7.195 1.00 0.00 C ATOM 1575 C SER A 109 14.901 -30.470 -8.426 1.00 0.00 C ATOM 1576 O SER A 109 14.179 -30.758 -9.379 1.00 0.00 O ATOM 1577 CB SER A 109 13.745 -31.107 -6.319 1.00 0.00 C ATOM 1578 OG SER A 109 13.050 -32.329 -6.105 1.00 0.00 O ATOM 0 H SER A 109 16.089 -30.431 -5.685 1.00 0.00 H new ATOM 0 HA SER A 109 14.975 -32.404 -7.528 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.053 -30.679 -5.365 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.088 -30.381 -6.797 1.00 0.00 H new ATOM 0 HG SER A 109 12.266 -32.165 -5.540 1.00 0.00 H new ATOM 1584 N LEU A 110 15.652 -29.385 -8.394 1.00 0.00 N ATOM 1585 CA LEU A 110 15.671 -28.447 -9.511 1.00 0.00 C ATOM 1586 C LEU A 110 16.621 -28.954 -10.581 1.00 0.00 C ATOM 1587 O LEU A 110 16.485 -28.641 -11.763 1.00 0.00 O ATOM 1588 CB LEU A 110 16.122 -27.063 -9.025 1.00 0.00 C ATOM 1589 CG LEU A 110 16.467 -26.185 -10.227 1.00 0.00 C ATOM 1590 CD1 LEU A 110 15.237 -26.047 -11.123 1.00 0.00 C ATOM 1591 CD2 LEU A 110 16.900 -24.807 -9.730 1.00 0.00 C ATOM 0 H LEU A 110 16.256 -29.128 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 110 14.668 -28.364 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 110 15.331 -26.597 -8.437 1.00 0.00 H new ATOM 0 HB3 LEU A 110 16.989 -27.161 -8.372 1.00 0.00 H new ATOM 0 HG LEU A 110 17.278 -26.638 -10.797 1.00 0.00 H new ATOM 0 HD11 LEU A 110 15.481 -25.421 -11.981 1.00 0.00 H new ATOM 0 HD12 LEU A 110 14.927 -27.033 -11.469 1.00 0.00 H new ATOM 0 HD13 LEU A 110 14.425 -25.589 -10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 110 17.148 -24.174 -10.582 1.00 0.00 H new ATOM 0 HD22 LEU A 110 16.087 -24.352 -9.165 1.00 0.00 H new ATOM 0 HD23 LEU A 110 17.775 -24.910 -9.088 1.00 0.00 H new ATOM 1603 N LEU A 111 17.587 -29.737 -10.142 1.00 0.00 N ATOM 1604 CA LEU A 111 18.584 -30.301 -11.044 1.00 0.00 C ATOM 1605 C LEU A 111 18.001 -31.449 -11.855 1.00 0.00 C ATOM 1606 O LEU A 111 18.555 -31.847 -12.880 1.00 0.00 O ATOM 1607 CB LEU A 111 19.780 -30.799 -10.241 1.00 0.00 C ATOM 1608 CG LEU A 111 20.964 -29.857 -10.456 1.00 0.00 C ATOM 1609 CD1 LEU A 111 21.533 -30.059 -11.862 1.00 0.00 C ATOM 1610 CD2 LEU A 111 20.506 -28.405 -10.294 1.00 0.00 C ATOM 0 H LEU A 111 17.707 -30.000 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 111 18.902 -29.519 -11.734 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.527 -30.846 -9.182 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.045 -31.810 -10.551 1.00 0.00 H new ATOM 0 HG LEU A 111 21.735 -30.077 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 111 22.377 -29.386 -12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 111 21.866 -31.091 -11.975 1.00 0.00 H new ATOM 0 HD13 LEU A 111 20.761 -29.844 -12.601 1.00 0.00 H new ATOM 0 HD21 LEU A 111 21.353 -27.737 -10.448 1.00 0.00 H new ATOM 0 HD22 LEU A 111 19.731 -28.184 -11.028 1.00 0.00 H new ATOM 0 HD23 LEU A 111 20.107 -28.259 -9.290 1.00 0.00 H new ATOM 1622 N GLU A 112 16.885 -31.980 -11.384 1.00 0.00 N ATOM 1623 CA GLU A 112 16.231 -33.092 -12.067 1.00 0.00 C ATOM 1624 C GLU A 112 14.974 -32.626 -12.787 1.00 0.00 C ATOM 1625 O GLU A 112 14.493 -33.282 -13.710 1.00 0.00 O ATOM 1626 CB GLU A 112 15.868 -34.183 -11.061 1.00 0.00 C ATOM 1627 CG GLU A 112 17.026 -35.175 -10.945 1.00 0.00 C ATOM 1628 CD GLU A 112 16.589 -36.398 -10.145 1.00 0.00 C ATOM 1629 OE1 GLU A 112 16.258 -36.233 -8.983 1.00 0.00 O ATOM 1630 OE2 GLU A 112 16.593 -37.480 -10.708 1.00 0.00 O ATOM 0 H GLU A 112 16.413 -31.664 -10.537 1.00 0.00 H new ATOM 0 HA GLU A 112 16.926 -33.492 -12.805 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.656 -33.740 -10.088 1.00 0.00 H new ATOM 0 HB3 GLU A 112 14.963 -34.700 -11.380 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.356 -35.479 -11.938 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.877 -34.698 -10.459 1.00 0.00 H new ATOM 1637 N SER A 113 14.446 -31.493 -12.355 1.00 0.00 N ATOM 1638 CA SER A 113 13.239 -30.942 -12.962 1.00 0.00 C ATOM 1639 C SER A 113 13.571 -29.724 -13.819 1.00 0.00 C ATOM 1640 O SER A 113 14.699 -29.229 -13.804 1.00 0.00 O ATOM 1641 CB SER A 113 12.241 -30.547 -11.873 1.00 0.00 C ATOM 1642 OG SER A 113 10.989 -31.164 -12.139 1.00 0.00 O ATOM 0 H SER A 113 14.829 -30.937 -11.591 1.00 0.00 H new ATOM 0 HA SER A 113 12.797 -31.707 -13.600 1.00 0.00 H new ATOM 0 HB2 SER A 113 12.611 -30.855 -10.895 1.00 0.00 H new ATOM 0 HB3 SER A 113 12.127 -29.463 -11.844 1.00 0.00 H new ATOM 0 HG SER A 113 10.347 -30.915 -11.442 1.00 0.00 H new ATOM 1648 N PRO A 114 12.610 -29.238 -14.562 1.00 0.00 N ATOM 1649 CA PRO A 114 12.791 -28.052 -15.451 1.00 0.00 C ATOM 1650 C PRO A 114 13.451 -26.880 -14.728 1.00 0.00 C ATOM 1651 O PRO A 114 14.496 -27.034 -14.097 1.00 0.00 O ATOM 1652 CB PRO A 114 11.365 -27.697 -15.880 1.00 0.00 C ATOM 1653 CG PRO A 114 10.584 -28.960 -15.750 1.00 0.00 C ATOM 1654 CD PRO A 114 11.241 -29.773 -14.634 1.00 0.00 C ATOM 0 HA PRO A 114 13.451 -28.270 -16.290 1.00 0.00 H new ATOM 0 HB2 PRO A 114 10.949 -26.912 -15.249 1.00 0.00 H new ATOM 0 HB3 PRO A 114 11.344 -27.326 -16.905 1.00 0.00 H new ATOM 0 HG2 PRO A 114 9.542 -28.747 -15.511 1.00 0.00 H new ATOM 0 HG3 PRO A 114 10.589 -29.516 -16.688 1.00 0.00 H new ATOM 0 HD2 PRO A 114 10.714 -29.650 -13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 114 11.240 -30.839 -14.863 1.00 0.00 H new ATOM 1662 N LYS A 115 12.830 -25.707 -14.827 1.00 0.00 N ATOM 1663 CA LYS A 115 13.358 -24.512 -14.183 1.00 0.00 C ATOM 1664 C LYS A 115 12.338 -23.943 -13.213 1.00 0.00 C ATOM 1665 O LYS A 115 12.270 -24.345 -12.051 1.00 0.00 O ATOM 1666 CB LYS A 115 13.699 -23.458 -15.237 1.00 0.00 C ATOM 1667 CG LYS A 115 15.130 -23.675 -15.731 1.00 0.00 C ATOM 1668 CD LYS A 115 16.115 -23.080 -14.720 1.00 0.00 C ATOM 1669 CE LYS A 115 16.789 -21.847 -15.325 1.00 0.00 C ATOM 1670 NZ LYS A 115 17.646 -22.263 -16.471 1.00 0.00 N ATOM 0 H LYS A 115 11.964 -25.561 -15.346 1.00 0.00 H new ATOM 0 HA LYS A 115 14.260 -24.783 -13.635 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.001 -23.524 -16.072 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.597 -22.459 -14.814 1.00 0.00 H new ATOM 0 HG2 LYS A 115 15.324 -24.740 -15.860 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.265 -23.206 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.591 -22.808 -13.804 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.866 -23.822 -14.449 1.00 0.00 H new ATOM 0 HE2 LYS A 115 16.035 -21.135 -15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 115 17.392 -21.342 -14.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 18.459 -21.619 -16.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 17.987 -23.233 -16.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 17.091 -22.228 -17.350 1.00 0.00 H new ATOM 1684 N ILE A 116 11.550 -23.004 -13.704 1.00 0.00 N ATOM 1685 CA ILE A 116 10.527 -22.371 -12.884 1.00 0.00 C ATOM 1686 C ILE A 116 9.455 -23.381 -12.490 1.00 0.00 C ATOM 1687 O ILE A 116 9.124 -24.284 -13.258 1.00 0.00 O ATOM 1688 CB ILE A 116 9.886 -21.212 -13.651 1.00 0.00 C ATOM 1689 CG1 ILE A 116 10.632 -21.009 -14.971 1.00 0.00 C ATOM 1690 CG2 ILE A 116 9.972 -19.934 -12.814 1.00 0.00 C ATOM 1691 CD1 ILE A 116 10.139 -19.728 -15.648 1.00 0.00 C ATOM 0 H ILE A 116 11.596 -22.662 -14.664 1.00 0.00 H new ATOM 0 HA ILE A 116 10.998 -21.989 -11.978 1.00 0.00 H new ATOM 0 HB ILE A 116 8.840 -21.441 -13.852 1.00 0.00 H new ATOM 0 HG12 ILE A 116 11.705 -20.946 -14.788 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.470 -21.864 -15.627 1.00 0.00 H new ATOM 0 HG21 ILE A 116 9.515 -19.109 -13.361 1.00 0.00 H new ATOM 0 HG22 ILE A 116 9.445 -20.080 -11.871 1.00 0.00 H new ATOM 0 HG23 ILE A 116 11.017 -19.701 -12.612 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.672 -19.585 -16.588 1.00 0.00 H new ATOM 0 HD12 ILE A 116 9.070 -19.809 -15.845 1.00 0.00 H new ATOM 0 HD13 ILE A 116 10.324 -18.876 -14.993 1.00 0.00 H new ATOM 1703 N GLN A 117 8.919 -23.223 -11.285 1.00 0.00 N ATOM 1704 CA GLN A 117 7.890 -24.124 -10.791 1.00 0.00 C ATOM 1705 C GLN A 117 6.707 -23.336 -10.234 1.00 0.00 C ATOM 1706 O GLN A 117 5.710 -23.915 -9.806 1.00 0.00 O ATOM 1707 CB GLN A 117 8.475 -25.010 -9.693 1.00 0.00 C ATOM 1708 CG GLN A 117 8.894 -24.139 -8.510 1.00 0.00 C ATOM 1709 CD GLN A 117 10.127 -24.732 -7.837 1.00 0.00 C ATOM 1710 OE1 GLN A 117 11.214 -24.724 -8.414 1.00 0.00 O ATOM 1711 NE2 GLN A 117 10.022 -25.247 -6.643 1.00 0.00 N ATOM 0 H GLN A 117 9.180 -22.481 -10.636 1.00 0.00 H new ATOM 0 HA GLN A 117 7.539 -24.742 -11.618 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.738 -25.747 -9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 117 9.334 -25.562 -10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 117 9.108 -23.126 -8.851 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.077 -24.068 -7.792 1.00 0.00 H new ATOM 0 HE21 GLN A 117 9.120 -25.252 -6.167 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.842 -25.644 -6.185 1.00 0.00 H new ATOM 1720 N ALA A 118 6.828 -22.013 -10.244 1.00 0.00 N ATOM 1721 CA ALA A 118 5.763 -21.157 -9.737 1.00 0.00 C ATOM 1722 C ALA A 118 5.179 -21.734 -8.453 1.00 0.00 C ATOM 1723 O ALA A 118 5.910 -22.221 -7.591 1.00 0.00 O ATOM 1724 CB ALA A 118 4.662 -21.024 -10.787 1.00 0.00 C ATOM 0 H ALA A 118 7.646 -21.514 -10.594 1.00 0.00 H new ATOM 0 HA ALA A 118 6.181 -20.174 -9.521 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.868 -20.383 -10.403 1.00 0.00 H new ATOM 0 HB2 ALA A 118 5.076 -20.585 -11.695 1.00 0.00 H new ATOM 0 HB3 ALA A 118 4.255 -22.009 -11.014 1.00 0.00 H new ATOM 1730 N ASP A 119 3.857 -21.675 -8.331 1.00 0.00 N ATOM 1731 CA ASP A 119 3.186 -22.197 -7.147 1.00 0.00 C ATOM 1732 C ASP A 119 3.181 -23.722 -7.161 1.00 0.00 C ATOM 1733 O ASP A 119 3.417 -24.362 -6.136 1.00 0.00 O ATOM 1734 CB ASP A 119 1.746 -21.682 -7.089 1.00 0.00 C ATOM 1735 CG ASP A 119 1.298 -21.543 -5.638 1.00 0.00 C ATOM 1736 OD1 ASP A 119 1.685 -22.377 -4.837 1.00 0.00 O ATOM 1737 OD2 ASP A 119 0.576 -20.603 -5.349 1.00 0.00 O ATOM 0 H ASP A 119 3.233 -21.274 -9.032 1.00 0.00 H new ATOM 0 HA ASP A 119 3.730 -21.854 -6.267 1.00 0.00 H new ATOM 0 HB2 ASP A 119 1.675 -20.718 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 119 1.084 -22.368 -7.618 1.00 0.00 H new ATOM 1742 N GLY A 120 2.911 -24.298 -8.327 1.00 0.00 N ATOM 1743 CA GLY A 120 2.878 -25.750 -8.462 1.00 0.00 C ATOM 1744 C GLY A 120 1.891 -26.365 -7.476 1.00 0.00 C ATOM 1745 O GLY A 120 0.945 -25.685 -7.112 1.00 0.00 O ATOM 0 H GLY A 120 2.713 -23.786 -9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 120 2.596 -26.018 -9.480 1.00 0.00 H new ATOM 0 HA3 GLY A 120 3.874 -26.158 -8.289 1.00 0.00 H new TER 1749 GLY A 120