USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 417 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 56 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 MET CE :methyl -124:sc= -0.761 (180deg=0) USER MOD Set 2.2: A 39 HIS : no HD1:sc= -4.13 K(o=-4.9,f=-3.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 85:sc= 0.375 USER MOD Single : A 18 THR OG1 : rot 172:sc= 0.961 USER MOD Single : A 23 TYR OH : rot -8:sc= 0.588 USER MOD Single : A 25 ASN : amide:sc= -0.944 K(o=-0.94,f=-3.3!) USER MOD Single : A 28 THR OG1 : rot -42:sc= 1.23 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.718 K(o=-0.72,f=1.1) USER MOD Single : A 46 SER OG : rot 93:sc= 0.0791 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.387 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 41:sc= 0.578 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 38:sc= 0.79 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.639 2.969 5.016 1.00 0.00 N ATOM 2 CA GLY A 1 -42.809 4.438 4.811 1.00 0.00 C ATOM 3 C GLY A 1 -42.005 5.198 5.862 1.00 0.00 C ATOM 4 O GLY A 1 -42.564 5.690 6.844 1.00 0.00 O ATOM 0 H1 GLY A 1 -43.188 2.453 4.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.633 2.720 4.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 -42.978 2.709 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -42.475 4.717 3.812 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -43.863 4.706 4.881 1.00 0.00 H new ATOM 10 N SER A 2 -40.690 5.289 5.646 1.00 0.00 N ATOM 11 CA SER A 2 -39.812 5.989 6.579 1.00 0.00 C ATOM 12 C SER A 2 -39.770 7.484 6.268 1.00 0.00 C ATOM 13 O SER A 2 -39.703 8.310 7.180 1.00 0.00 O ATOM 14 CB SER A 2 -38.398 5.414 6.500 1.00 0.00 C ATOM 15 OG SER A 2 -38.427 4.038 6.857 1.00 0.00 O ATOM 0 H SER A 2 -40.215 4.888 4.837 1.00 0.00 H new ATOM 0 HA SER A 2 -40.207 5.851 7.585 1.00 0.00 H new ATOM 0 HB2 SER A 2 -38.002 5.531 5.491 1.00 0.00 H new ATOM 0 HB3 SER A 2 -37.733 5.961 7.169 1.00 0.00 H new ATOM 0 HG SER A 2 -37.521 3.667 6.805 1.00 0.00 H new ATOM 21 N MET A 3 -39.807 7.823 4.976 1.00 0.00 N ATOM 22 CA MET A 3 -39.769 9.222 4.552 1.00 0.00 C ATOM 23 C MET A 3 -40.772 9.474 3.429 1.00 0.00 C ATOM 24 O MET A 3 -41.622 10.362 3.537 1.00 0.00 O ATOM 25 CB MET A 3 -38.362 9.582 4.072 1.00 0.00 C ATOM 26 CG MET A 3 -37.434 9.713 5.280 1.00 0.00 C ATOM 27 SD MET A 3 -35.712 9.719 4.722 1.00 0.00 S ATOM 28 CE MET A 3 -35.499 11.516 4.660 1.00 0.00 C ATOM 0 H MET A 3 -39.863 7.151 4.211 1.00 0.00 H new ATOM 0 HA MET A 3 -40.035 9.847 5.405 1.00 0.00 H new ATOM 0 HB2 MET A 3 -37.989 8.814 3.394 1.00 0.00 H new ATOM 0 HB3 MET A 3 -38.384 10.517 3.513 1.00 0.00 H new ATOM 0 HG2 MET A 3 -37.654 10.632 5.823 1.00 0.00 H new ATOM 0 HG3 MET A 3 -37.600 8.887 5.971 1.00 0.00 H new ATOM 0 HE1 MET A 3 -34.486 11.751 4.333 1.00 0.00 H new ATOM 0 HE2 MET A 3 -36.216 11.943 3.959 1.00 0.00 H new ATOM 0 HE3 MET A 3 -35.667 11.937 5.651 1.00 0.00 H new ATOM 38 N ALA A 4 -40.666 8.690 2.353 1.00 0.00 N ATOM 39 CA ALA A 4 -41.569 8.831 1.211 1.00 0.00 C ATOM 40 C ALA A 4 -42.093 7.467 0.771 1.00 0.00 C ATOM 41 O ALA A 4 -43.297 7.212 0.822 1.00 0.00 O ATOM 42 CB ALA A 4 -40.837 9.499 0.044 1.00 0.00 C ATOM 0 H ALA A 4 -39.967 7.955 2.250 1.00 0.00 H new ATOM 0 HA ALA A 4 -42.412 9.452 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -41.517 9.600 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -40.489 10.486 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -39.983 8.888 -0.248 1.00 0.00 H new ATOM 48 N GLN A 5 -41.177 6.594 0.340 1.00 0.00 N ATOM 49 CA GLN A 5 -41.549 5.253 -0.110 1.00 0.00 C ATOM 50 C GLN A 5 -40.623 4.207 0.506 1.00 0.00 C ATOM 51 O GLN A 5 -41.082 3.274 1.169 1.00 0.00 O ATOM 52 CB GLN A 5 -41.468 5.174 -1.638 1.00 0.00 C ATOM 53 CG GLN A 5 -42.207 3.928 -2.127 1.00 0.00 C ATOM 54 CD GLN A 5 -41.982 3.744 -3.624 1.00 0.00 C ATOM 55 OE1 GLN A 5 -42.850 4.082 -4.429 1.00 0.00 O ATOM 56 NE2 GLN A 5 -40.862 3.228 -4.047 1.00 0.00 N ATOM 0 H GLN A 5 -40.178 6.792 0.294 1.00 0.00 H new ATOM 0 HA GLN A 5 -42.571 5.051 0.210 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -41.907 6.067 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -40.426 5.139 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -41.854 3.050 -1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -43.273 4.022 -1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -40.144 2.949 -3.378 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -40.703 3.104 -5.047 1.00 0.00 H new ATOM 65 N GLU A 6 -39.315 4.374 0.287 1.00 0.00 N ATOM 66 CA GLU A 6 -38.323 3.442 0.827 1.00 0.00 C ATOM 67 C GLU A 6 -37.152 4.207 1.441 1.00 0.00 C ATOM 68 O GLU A 6 -37.133 5.440 1.425 1.00 0.00 O ATOM 69 CB GLU A 6 -37.810 2.523 -0.283 1.00 0.00 C ATOM 70 CG GLU A 6 -38.841 1.423 -0.548 1.00 0.00 C ATOM 71 CD GLU A 6 -38.213 0.306 -1.375 1.00 0.00 C ATOM 72 OE1 GLU A 6 -37.580 -0.557 -0.788 1.00 0.00 O ATOM 73 OE2 GLU A 6 -38.375 0.328 -2.585 1.00 0.00 O ATOM 0 H GLU A 6 -38.921 5.141 -0.257 1.00 0.00 H new ATOM 0 HA GLU A 6 -38.798 2.841 1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -37.632 3.097 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -36.857 2.081 0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -39.210 1.024 0.397 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -39.700 1.838 -1.075 1.00 0.00 H new ATOM 80 N THR A 7 -36.181 3.467 1.982 1.00 0.00 N ATOM 81 CA THR A 7 -35.007 4.084 2.601 1.00 0.00 C ATOM 82 C THR A 7 -33.908 4.311 1.565 1.00 0.00 C ATOM 83 O THR A 7 -33.873 3.640 0.530 1.00 0.00 O ATOM 84 CB THR A 7 -34.479 3.194 3.739 1.00 0.00 C ATOM 85 OG1 THR A 7 -34.685 1.827 3.409 1.00 0.00 O ATOM 86 CG2 THR A 7 -35.217 3.519 5.042 1.00 0.00 C ATOM 0 H THR A 7 -36.184 2.447 2.004 1.00 0.00 H new ATOM 0 HA THR A 7 -35.303 5.050 3.011 1.00 0.00 H new ATOM 0 HB THR A 7 -33.414 3.382 3.873 1.00 0.00 H new ATOM 0 HG1 THR A 7 -34.347 1.261 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 7 -34.838 2.885 5.843 1.00 0.00 H new ATOM 0 HG22 THR A 7 -35.055 4.566 5.300 1.00 0.00 H new ATOM 0 HG23 THR A 7 -36.284 3.338 4.911 1.00 0.00 H new ATOM 94 N ASN A 8 -33.017 5.265 1.848 1.00 0.00 N ATOM 95 CA ASN A 8 -31.915 5.590 0.935 1.00 0.00 C ATOM 96 C ASN A 8 -30.573 5.068 1.469 1.00 0.00 C ATOM 97 O ASN A 8 -29.517 5.639 1.179 1.00 0.00 O ATOM 98 CB ASN A 8 -31.834 7.110 0.754 1.00 0.00 C ATOM 99 CG ASN A 8 -33.040 7.609 -0.035 1.00 0.00 C ATOM 100 OD1 ASN A 8 -33.330 7.104 -1.120 1.00 0.00 O ATOM 101 ND2 ASN A 8 -33.760 8.583 0.448 1.00 0.00 N ATOM 0 H ASN A 8 -33.036 5.826 2.700 1.00 0.00 H new ATOM 0 HA ASN A 8 -32.112 5.107 -0.022 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -31.799 7.599 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -30.914 7.373 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -34.566 8.929 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -33.517 8.999 1.347 1.00 0.00 H new ATOM 108 N GLN A 9 -30.616 3.981 2.248 1.00 0.00 N ATOM 109 CA GLN A 9 -29.396 3.397 2.814 1.00 0.00 C ATOM 110 C GLN A 9 -29.029 2.103 2.096 1.00 0.00 C ATOM 111 O GLN A 9 -29.753 1.651 1.206 1.00 0.00 O ATOM 112 CB GLN A 9 -29.593 3.104 4.302 1.00 0.00 C ATOM 113 CG GLN A 9 -29.851 4.409 5.056 1.00 0.00 C ATOM 114 CD GLN A 9 -29.909 4.140 6.557 1.00 0.00 C ATOM 115 OE1 GLN A 9 -29.022 3.485 7.104 1.00 0.00 O ATOM 116 NE2 GLN A 9 -30.907 4.606 7.255 1.00 0.00 N ATOM 0 H GLN A 9 -31.475 3.492 2.499 1.00 0.00 H new ATOM 0 HA GLN A 9 -28.588 4.117 2.684 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -30.432 2.421 4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -28.709 2.609 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.061 5.128 4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -30.788 4.853 4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -31.640 5.148 6.798 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -30.955 4.428 8.258 1.00 0.00 H new ATOM 125 N THR A 10 -27.900 1.512 2.499 1.00 0.00 N ATOM 126 CA THR A 10 -27.436 0.264 1.900 1.00 0.00 C ATOM 127 C THR A 10 -26.649 -0.565 2.932 1.00 0.00 C ATOM 128 O THR A 10 -25.980 0.010 3.794 1.00 0.00 O ATOM 129 CB THR A 10 -26.559 0.561 0.671 1.00 0.00 C ATOM 130 OG1 THR A 10 -26.092 -0.661 0.122 1.00 0.00 O ATOM 131 CG2 THR A 10 -25.361 1.436 1.064 1.00 0.00 C ATOM 0 H THR A 10 -27.295 1.878 3.234 1.00 0.00 H new ATOM 0 HA THR A 10 -28.303 -0.315 1.580 1.00 0.00 H new ATOM 0 HB THR A 10 -27.156 1.096 -0.067 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.534 -0.475 -0.662 1.00 0.00 H new ATOM 0 HG21 THR A 10 -24.752 1.636 0.183 1.00 0.00 H new ATOM 0 HG22 THR A 10 -25.719 2.378 1.479 1.00 0.00 H new ATOM 0 HG23 THR A 10 -24.760 0.916 1.810 1.00 0.00 H new ATOM 139 N PRO A 11 -26.711 -1.889 2.873 1.00 0.00 N ATOM 140 CA PRO A 11 -25.981 -2.767 3.832 1.00 0.00 C ATOM 141 C PRO A 11 -24.526 -2.989 3.423 1.00 0.00 C ATOM 142 O PRO A 11 -24.249 -3.381 2.287 1.00 0.00 O ATOM 143 CB PRO A 11 -26.770 -4.073 3.782 1.00 0.00 C ATOM 144 CG PRO A 11 -27.323 -4.141 2.396 1.00 0.00 C ATOM 145 CD PRO A 11 -27.472 -2.700 1.896 1.00 0.00 C ATOM 0 HA PRO A 11 -25.924 -2.331 4.830 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -26.129 -4.929 3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -27.567 -4.081 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.658 -4.708 1.744 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -28.286 -4.652 2.391 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.072 -2.586 0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -28.519 -2.399 1.860 1.00 0.00 H new ATOM 153 N GLY A 12 -23.605 -2.737 4.356 1.00 0.00 N ATOM 154 CA GLY A 12 -22.182 -2.915 4.086 1.00 0.00 C ATOM 155 C GLY A 12 -21.567 -1.699 3.375 1.00 0.00 C ATOM 156 O GLY A 12 -20.825 -1.882 2.407 1.00 0.00 O ATOM 0 H GLY A 12 -23.820 -2.411 5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -21.655 -3.089 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -22.039 -3.803 3.471 1.00 0.00 H new ATOM 160 N PRO A 13 -21.843 -0.469 3.807 1.00 0.00 N ATOM 161 CA PRO A 13 -21.267 0.739 3.143 1.00 0.00 C ATOM 162 C PRO A 13 -19.786 0.913 3.500 1.00 0.00 C ATOM 163 O PRO A 13 -19.420 1.788 4.291 1.00 0.00 O ATOM 164 CB PRO A 13 -22.121 1.894 3.670 1.00 0.00 C ATOM 165 CG PRO A 13 -22.625 1.443 5.001 1.00 0.00 C ATOM 166 CD PRO A 13 -22.701 -0.087 4.956 1.00 0.00 C ATOM 0 HA PRO A 13 -21.291 0.675 2.055 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.533 2.807 3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.946 2.113 2.992 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -21.958 1.773 5.798 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.605 1.872 5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -22.341 -0.530 5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -23.726 -0.429 4.817 1.00 0.00 H new ATOM 174 N MET A 14 -18.940 0.058 2.915 1.00 0.00 N ATOM 175 CA MET A 14 -17.501 0.103 3.174 1.00 0.00 C ATOM 176 C MET A 14 -16.880 1.358 2.544 1.00 0.00 C ATOM 177 O MET A 14 -16.193 1.283 1.526 1.00 0.00 O ATOM 178 CB MET A 14 -16.833 -1.161 2.608 1.00 0.00 C ATOM 179 CG MET A 14 -17.261 -2.384 3.421 1.00 0.00 C ATOM 180 SD MET A 14 -16.124 -3.750 3.080 1.00 0.00 S ATOM 181 CE MET A 14 -16.183 -4.527 4.713 1.00 0.00 C ATOM 0 H MET A 14 -19.228 -0.670 2.262 1.00 0.00 H new ATOM 0 HA MET A 14 -17.338 0.143 4.251 1.00 0.00 H new ATOM 0 HB2 MET A 14 -17.111 -1.293 1.562 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.749 -1.055 2.638 1.00 0.00 H new ATOM 0 HG2 MET A 14 -17.257 -2.148 4.485 1.00 0.00 H new ATOM 0 HG3 MET A 14 -18.280 -2.670 3.162 1.00 0.00 H new ATOM 0 HE1 MET A 14 -15.539 -5.406 4.721 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.839 -3.818 5.466 1.00 0.00 H new ATOM 0 HE3 MET A 14 -17.207 -4.825 4.937 1.00 0.00 H new ATOM 191 N LEU A 15 -17.138 2.513 3.161 1.00 0.00 N ATOM 192 CA LEU A 15 -16.614 3.788 2.661 1.00 0.00 C ATOM 193 C LEU A 15 -15.115 3.909 2.957 1.00 0.00 C ATOM 194 O LEU A 15 -14.636 3.409 3.972 1.00 0.00 O ATOM 195 CB LEU A 15 -17.396 4.954 3.310 1.00 0.00 C ATOM 196 CG LEU A 15 -18.463 5.526 2.345 1.00 0.00 C ATOM 197 CD1 LEU A 15 -17.780 6.167 1.134 1.00 0.00 C ATOM 198 CD2 LEU A 15 -19.425 4.423 1.866 1.00 0.00 C ATOM 0 H LEU A 15 -17.705 2.593 4.005 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.744 3.830 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.879 4.606 4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.702 5.744 3.597 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.039 6.278 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.537 6.567 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.129 6.974 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.188 5.416 0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.164 4.853 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.861 3.650 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.932 3.984 2.725 1.00 0.00 H new ATOM 210 N CYS A 16 -14.379 4.566 2.044 1.00 0.00 N ATOM 211 CA CYS A 16 -12.919 4.750 2.182 1.00 0.00 C ATOM 212 C CYS A 16 -12.503 5.194 3.594 1.00 0.00 C ATOM 213 O CYS A 16 -13.149 6.046 4.205 1.00 0.00 O ATOM 214 CB CYS A 16 -12.431 5.795 1.174 1.00 0.00 C ATOM 215 SG CYS A 16 -10.640 5.636 0.957 1.00 0.00 S ATOM 0 H CYS A 16 -14.771 4.981 1.199 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.462 3.779 1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.937 5.658 0.218 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.678 6.797 1.525 1.00 0.00 H new ATOM 220 N SER A 17 -11.416 4.598 4.088 1.00 0.00 N ATOM 221 CA SER A 17 -10.900 4.919 5.422 1.00 0.00 C ATOM 222 C SER A 17 -10.294 6.327 5.475 1.00 0.00 C ATOM 223 O SER A 17 -10.222 6.925 6.550 1.00 0.00 O ATOM 224 CB SER A 17 -9.841 3.892 5.827 1.00 0.00 C ATOM 225 OG SER A 17 -10.447 2.608 5.921 1.00 0.00 O ATOM 0 H SER A 17 -10.877 3.892 3.587 1.00 0.00 H new ATOM 0 HA SER A 17 -11.738 4.887 6.118 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.035 3.874 5.093 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.396 4.168 6.783 1.00 0.00 H new ATOM 0 HG SER A 17 -10.462 2.188 5.036 1.00 0.00 H new ATOM 231 N THR A 18 -9.851 6.846 4.323 1.00 0.00 N ATOM 232 CA THR A 18 -9.246 8.180 4.268 1.00 0.00 C ATOM 233 C THR A 18 -10.299 9.297 4.246 1.00 0.00 C ATOM 234 O THR A 18 -9.981 10.451 4.543 1.00 0.00 O ATOM 235 CB THR A 18 -8.355 8.299 3.029 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.128 8.050 1.862 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.219 7.277 3.119 1.00 0.00 C ATOM 0 H THR A 18 -9.900 6.366 3.424 1.00 0.00 H new ATOM 0 HA THR A 18 -8.651 8.301 5.173 1.00 0.00 H new ATOM 0 HB THR A 18 -7.936 9.304 2.977 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.595 8.257 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.584 7.361 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.626 7.470 4.013 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.637 6.272 3.171 1.00 0.00 H new ATOM 245 N GLY A 19 -11.550 8.956 3.909 1.00 0.00 N ATOM 246 CA GLY A 19 -12.620 9.948 3.879 1.00 0.00 C ATOM 247 C GLY A 19 -12.684 10.694 2.550 1.00 0.00 C ATOM 248 O GLY A 19 -13.087 11.858 2.515 1.00 0.00 O ATOM 0 H GLY A 19 -11.839 8.011 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.575 9.455 4.062 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.471 10.664 4.688 1.00 0.00 H new ATOM 252 N CYS A 20 -12.307 10.022 1.461 1.00 0.00 N ATOM 253 CA CYS A 20 -12.362 10.652 0.138 1.00 0.00 C ATOM 254 C CYS A 20 -13.821 10.786 -0.348 1.00 0.00 C ATOM 255 O CYS A 20 -14.108 11.602 -1.224 1.00 0.00 O ATOM 256 CB CYS A 20 -11.513 9.866 -0.879 1.00 0.00 C ATOM 257 SG CYS A 20 -12.139 8.178 -1.069 1.00 0.00 S ATOM 0 H CYS A 20 -11.966 9.061 1.465 1.00 0.00 H new ATOM 0 HA CYS A 20 -11.943 11.655 0.224 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.528 10.375 -1.843 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.475 9.839 -0.549 1.00 0.00 H new ATOM 262 N GLY A 21 -14.738 9.992 0.238 1.00 0.00 N ATOM 263 CA GLY A 21 -16.156 10.046 -0.129 1.00 0.00 C ATOM 264 C GLY A 21 -16.556 8.964 -1.146 1.00 0.00 C ATOM 265 O GLY A 21 -17.657 9.019 -1.697 1.00 0.00 O ATOM 0 H GLY A 21 -14.518 9.310 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.763 9.934 0.770 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.381 11.028 -0.545 1.00 0.00 H new ATOM 269 N PHE A 22 -15.668 7.996 -1.407 1.00 0.00 N ATOM 270 CA PHE A 22 -15.953 6.926 -2.367 1.00 0.00 C ATOM 271 C PHE A 22 -15.972 5.559 -1.686 1.00 0.00 C ATOM 272 O PHE A 22 -15.505 5.414 -0.556 1.00 0.00 O ATOM 273 CB PHE A 22 -14.886 6.914 -3.459 1.00 0.00 C ATOM 274 CG PHE A 22 -15.018 8.150 -4.314 1.00 0.00 C ATOM 275 CD1 PHE A 22 -16.073 8.260 -5.225 1.00 0.00 C ATOM 276 CD2 PHE A 22 -14.083 9.181 -4.197 1.00 0.00 C ATOM 277 CE1 PHE A 22 -16.194 9.406 -6.021 1.00 0.00 C ATOM 278 CE2 PHE A 22 -14.201 10.329 -4.991 1.00 0.00 C ATOM 279 CZ PHE A 22 -15.257 10.440 -5.903 1.00 0.00 C ATOM 0 H PHE A 22 -14.750 7.933 -0.968 1.00 0.00 H new ATOM 0 HA PHE A 22 -16.936 7.119 -2.797 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.893 6.875 -3.010 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -14.993 6.021 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -16.794 7.461 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.268 9.093 -3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -17.009 9.492 -6.725 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.479 11.127 -4.900 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.349 11.324 -6.516 1.00 0.00 H new ATOM 289 N TYR A 23 -16.502 4.558 -2.397 1.00 0.00 N ATOM 290 CA TYR A 23 -16.566 3.193 -1.873 1.00 0.00 C ATOM 291 C TYR A 23 -15.159 2.608 -1.743 1.00 0.00 C ATOM 292 O TYR A 23 -14.280 2.902 -2.552 1.00 0.00 O ATOM 293 CB TYR A 23 -17.405 2.313 -2.806 1.00 0.00 C ATOM 294 CG TYR A 23 -17.879 1.087 -2.062 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.816 1.215 -1.030 1.00 0.00 C ATOM 296 CD2 TYR A 23 -17.383 -0.177 -2.402 1.00 0.00 C ATOM 297 CE1 TYR A 23 -19.257 0.080 -0.337 1.00 0.00 C ATOM 298 CE2 TYR A 23 -17.822 -1.312 -1.711 1.00 0.00 C ATOM 299 CZ TYR A 23 -18.758 -1.186 -0.678 1.00 0.00 C ATOM 300 OH TYR A 23 -19.191 -2.307 0.000 1.00 0.00 O ATOM 0 H TYR A 23 -16.891 4.668 -3.333 1.00 0.00 H new ATOM 0 HA TYR A 23 -17.031 3.220 -0.888 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -18.260 2.876 -3.181 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.813 2.018 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -19.199 2.190 -0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.661 -0.276 -3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -19.980 0.180 0.459 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -17.438 -2.286 -1.975 1.00 0.00 H new ATOM 0 HH TYR A 23 -19.734 -2.035 0.769 1.00 0.00 H new ATOM 310 N GLY A 24 -14.957 1.777 -0.717 1.00 0.00 N ATOM 311 CA GLY A 24 -13.657 1.147 -0.479 1.00 0.00 C ATOM 312 C GLY A 24 -13.726 -0.353 -0.755 1.00 0.00 C ATOM 313 O GLY A 24 -14.818 -0.925 -0.823 1.00 0.00 O ATOM 0 H GLY A 24 -15.676 1.525 -0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.903 1.605 -1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.348 1.318 0.552 1.00 0.00 H new ATOM 317 N ASN A 25 -12.557 -0.988 -0.905 1.00 0.00 N ATOM 318 CA ASN A 25 -12.498 -2.428 -1.169 1.00 0.00 C ATOM 319 C ASN A 25 -11.873 -3.164 0.030 1.00 0.00 C ATOM 320 O ASN A 25 -10.773 -2.804 0.454 1.00 0.00 O ATOM 321 CB ASN A 25 -11.649 -2.703 -2.423 1.00 0.00 C ATOM 322 CG ASN A 25 -12.166 -3.941 -3.161 1.00 0.00 C ATOM 323 OD1 ASN A 25 -13.346 -4.283 -3.066 1.00 0.00 O ATOM 324 ND2 ASN A 25 -11.350 -4.632 -3.906 1.00 0.00 N ATOM 0 H ASN A 25 -11.647 -0.531 -0.848 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.514 -2.789 -1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.679 -1.838 -3.086 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.607 -2.851 -2.139 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.689 -5.453 -4.408 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.373 -4.352 -3.987 1.00 0.00 H new ATOM 331 N PRO A 26 -12.529 -4.179 0.584 1.00 0.00 N ATOM 332 CA PRO A 26 -11.971 -4.939 1.744 1.00 0.00 C ATOM 333 C PRO A 26 -10.793 -5.842 1.360 1.00 0.00 C ATOM 334 O PRO A 26 -10.026 -6.256 2.231 1.00 0.00 O ATOM 335 CB PRO A 26 -13.157 -5.748 2.261 1.00 0.00 C ATOM 336 CG PRO A 26 -14.061 -5.925 1.088 1.00 0.00 C ATOM 337 CD PRO A 26 -13.851 -4.713 0.181 1.00 0.00 C ATOM 0 HA PRO A 26 -11.553 -4.271 2.497 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.833 -6.711 2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.664 -5.226 3.072 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.830 -6.849 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.101 -5.993 1.408 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.861 -4.997 -0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.638 -3.972 0.319 1.00 0.00 H new ATOM 345 N ARG A 27 -10.626 -6.116 0.057 1.00 0.00 N ATOM 346 CA ARG A 27 -9.503 -6.930 -0.407 1.00 0.00 C ATOM 347 C ARG A 27 -8.227 -6.084 -0.403 1.00 0.00 C ATOM 348 O ARG A 27 -7.142 -6.582 -0.091 1.00 0.00 O ATOM 349 CB ARG A 27 -9.765 -7.454 -1.823 1.00 0.00 C ATOM 350 CG ARG A 27 -10.629 -8.716 -1.758 1.00 0.00 C ATOM 351 CD ARG A 27 -11.299 -8.937 -3.114 1.00 0.00 C ATOM 352 NE ARG A 27 -11.822 -10.304 -3.218 1.00 0.00 N ATOM 353 CZ ARG A 27 -12.186 -10.852 -4.392 1.00 0.00 C ATOM 354 NH1 ARG A 27 -12.091 -10.187 -5.526 1.00 0.00 N ATOM 355 NH2 ARG A 27 -12.644 -12.074 -4.410 1.00 0.00 N ATOM 0 H ARG A 27 -11.248 -5.789 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.386 -7.781 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.266 -6.689 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.820 -7.674 -2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.015 -9.578 -1.497 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.384 -8.615 -0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -12.110 -8.221 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.581 -8.755 -3.914 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.913 -10.860 -2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -11.734 -9.232 -5.529 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -12.374 -10.628 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.723 -12.602 -3.541 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.923 -12.501 -5.293 1.00 0.00 H new ATOM 369 N THR A 28 -8.384 -4.791 -0.720 1.00 0.00 N ATOM 370 CA THR A 28 -7.258 -3.863 -0.717 1.00 0.00 C ATOM 371 C THR A 28 -6.878 -3.576 0.746 1.00 0.00 C ATOM 372 O THR A 28 -7.154 -4.402 1.620 1.00 0.00 O ATOM 373 CB THR A 28 -7.641 -2.569 -1.472 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.639 -1.861 -0.741 1.00 0.00 O ATOM 375 CG2 THR A 28 -8.168 -2.903 -2.873 1.00 0.00 C ATOM 0 H THR A 28 -9.277 -4.371 -0.980 1.00 0.00 H new ATOM 0 HA THR A 28 -6.398 -4.294 -1.230 1.00 0.00 H new ATOM 0 HB THR A 28 -6.752 -1.946 -1.570 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.306 -2.494 -0.401 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.433 -1.981 -3.391 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.396 -3.427 -3.437 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.050 -3.538 -2.788 1.00 0.00 H new ATOM 383 N ASN A 29 -6.261 -2.420 1.024 1.00 0.00 N ATOM 384 CA ASN A 29 -5.879 -2.065 2.392 1.00 0.00 C ATOM 385 C ASN A 29 -6.999 -1.278 3.098 1.00 0.00 C ATOM 386 O ASN A 29 -6.719 -0.472 3.987 1.00 0.00 O ATOM 387 CB ASN A 29 -4.576 -1.235 2.358 1.00 0.00 C ATOM 388 CG ASN A 29 -3.443 -1.970 3.078 1.00 0.00 C ATOM 389 OD1 ASN A 29 -3.238 -1.775 4.275 1.00 0.00 O ATOM 390 ND2 ASN A 29 -2.697 -2.810 2.411 1.00 0.00 N ATOM 0 H ASN A 29 -6.018 -1.720 0.323 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.714 -2.981 2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.290 -1.041 1.324 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.744 -0.267 2.829 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.941 -3.307 2.883 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.870 -2.969 1.418 1.00 0.00 H new ATOM 397 N GLY A 30 -8.262 -1.498 2.694 1.00 0.00 N ATOM 398 CA GLY A 30 -9.388 -0.783 3.290 1.00 0.00 C ATOM 399 C GLY A 30 -9.613 0.582 2.621 1.00 0.00 C ATOM 400 O GLY A 30 -10.378 1.404 3.131 1.00 0.00 O ATOM 0 H GLY A 30 -8.521 -2.161 1.963 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.291 -1.386 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.206 -0.641 4.355 1.00 0.00 H new ATOM 404 N MET A 31 -8.936 0.825 1.486 1.00 0.00 N ATOM 405 CA MET A 31 -9.058 2.090 0.772 1.00 0.00 C ATOM 406 C MET A 31 -9.537 1.856 -0.662 1.00 0.00 C ATOM 407 O MET A 31 -9.482 0.734 -1.168 1.00 0.00 O ATOM 408 CB MET A 31 -7.697 2.792 0.741 1.00 0.00 C ATOM 409 CG MET A 31 -7.481 3.571 2.040 1.00 0.00 C ATOM 410 SD MET A 31 -7.070 2.431 3.385 1.00 0.00 S ATOM 411 CE MET A 31 -5.691 3.367 4.092 1.00 0.00 C ATOM 0 H MET A 31 -8.301 0.157 1.050 1.00 0.00 H new ATOM 0 HA MET A 31 -9.788 2.713 1.290 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.902 2.057 0.611 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.647 3.469 -0.112 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.678 4.297 1.909 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.381 4.133 2.291 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.801 2.738 4.120 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.495 4.246 3.478 1.00 0.00 H new ATOM 0 HE3 MET A 31 -5.946 3.681 5.104 1.00 0.00 H new ATOM 421 N CYS A 32 -10.009 2.927 -1.297 1.00 0.00 N ATOM 422 CA CYS A 32 -10.500 2.852 -2.662 1.00 0.00 C ATOM 423 C CYS A 32 -9.317 2.670 -3.630 1.00 0.00 C ATOM 424 O CYS A 32 -8.255 2.202 -3.214 1.00 0.00 O ATOM 425 CB CYS A 32 -11.352 4.108 -2.975 1.00 0.00 C ATOM 426 SG CYS A 32 -10.331 5.608 -3.020 1.00 0.00 S ATOM 0 H CYS A 32 -10.060 3.858 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.149 1.985 -2.789 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.854 3.979 -3.934 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.130 4.219 -2.220 1.00 0.00 H new ATOM 431 N SER A 33 -9.502 3.017 -4.905 1.00 0.00 N ATOM 432 CA SER A 33 -8.437 2.855 -5.896 1.00 0.00 C ATOM 433 C SER A 33 -7.348 3.934 -5.779 1.00 0.00 C ATOM 434 O SER A 33 -6.160 3.611 -5.735 1.00 0.00 O ATOM 435 CB SER A 33 -9.048 2.873 -7.304 1.00 0.00 C ATOM 436 OG SER A 33 -8.578 1.746 -8.033 1.00 0.00 O ATOM 0 H SER A 33 -10.369 3.408 -5.273 1.00 0.00 H new ATOM 0 HA SER A 33 -7.952 1.898 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.136 2.852 -7.241 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.776 3.794 -7.820 1.00 0.00 H new ATOM 0 HG SER A 33 -8.967 1.753 -8.932 1.00 0.00 H new ATOM 442 N VAL A 34 -7.755 5.205 -5.760 1.00 0.00 N ATOM 443 CA VAL A 34 -6.793 6.319 -5.692 1.00 0.00 C ATOM 444 C VAL A 34 -6.040 6.333 -4.355 1.00 0.00 C ATOM 445 O VAL A 34 -4.807 6.354 -4.334 1.00 0.00 O ATOM 446 CB VAL A 34 -7.504 7.677 -5.887 1.00 0.00 C ATOM 447 CG1 VAL A 34 -6.461 8.777 -6.118 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.432 7.633 -7.107 1.00 0.00 C ATOM 0 H VAL A 34 -8.733 5.492 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.075 6.167 -6.498 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.089 7.885 -4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -6.965 9.734 -6.255 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.798 8.837 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.877 8.544 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.923 8.599 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.848 7.410 -8.000 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.186 6.859 -6.963 1.00 0.00 H new ATOM 458 N CYS A 35 -6.787 6.355 -3.249 1.00 0.00 N ATOM 459 CA CYS A 35 -6.188 6.406 -1.907 1.00 0.00 C ATOM 460 C CYS A 35 -5.250 5.224 -1.634 1.00 0.00 C ATOM 461 O CYS A 35 -4.236 5.384 -0.950 1.00 0.00 O ATOM 462 CB CYS A 35 -7.287 6.423 -0.837 1.00 0.00 C ATOM 463 SG CYS A 35 -8.330 7.892 -1.033 1.00 0.00 S ATOM 0 H CYS A 35 -7.807 6.338 -3.253 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.598 7.321 -1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.896 5.523 -0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.838 6.417 0.156 1.00 0.00 H new ATOM 468 N TYR A 36 -5.595 4.036 -2.150 1.00 0.00 N ATOM 469 CA TYR A 36 -4.773 2.831 -1.932 1.00 0.00 C ATOM 470 C TYR A 36 -3.330 3.035 -2.427 1.00 0.00 C ATOM 471 O TYR A 36 -2.381 2.607 -1.766 1.00 0.00 O ATOM 472 CB TYR A 36 -5.421 1.609 -2.637 1.00 0.00 C ATOM 473 CG TYR A 36 -4.546 0.360 -2.525 1.00 0.00 C ATOM 474 CD1 TYR A 36 -4.008 -0.025 -1.288 1.00 0.00 C ATOM 475 CD2 TYR A 36 -4.272 -0.403 -3.669 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.201 -1.165 -1.195 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.463 -1.543 -3.575 1.00 0.00 C ATOM 478 CZ TYR A 36 -2.929 -1.924 -2.339 1.00 0.00 C ATOM 479 OH TYR A 36 -2.131 -3.046 -2.252 1.00 0.00 O ATOM 0 H TYR A 36 -6.429 3.881 -2.716 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.730 2.642 -0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.397 1.410 -2.195 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.589 1.842 -3.688 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.217 0.560 -0.405 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.685 -0.112 -4.623 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.789 -1.459 -0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.251 -2.128 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.045 -3.456 -3.138 1.00 0.00 H new ATOM 489 N LYS A 37 -3.181 3.676 -3.583 1.00 0.00 N ATOM 490 CA LYS A 37 -1.856 3.918 -4.151 1.00 0.00 C ATOM 491 C LYS A 37 -1.153 5.037 -3.396 1.00 0.00 C ATOM 492 O LYS A 37 0.028 4.932 -3.065 1.00 0.00 O ATOM 493 CB LYS A 37 -1.981 4.302 -5.627 1.00 0.00 C ATOM 494 CG LYS A 37 -0.635 4.107 -6.326 1.00 0.00 C ATOM 495 CD LYS A 37 -0.691 4.736 -7.719 1.00 0.00 C ATOM 496 CE LYS A 37 -0.636 6.259 -7.593 1.00 0.00 C ATOM 497 NZ LYS A 37 -0.411 6.860 -8.940 1.00 0.00 N ATOM 0 H LYS A 37 -3.955 4.035 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.270 3.004 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.744 3.690 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.301 5.340 -5.717 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.162 4.565 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.403 3.045 -6.403 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.143 4.380 -8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.606 4.435 -8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.567 6.633 -7.166 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.166 6.550 -6.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.373 7.896 -8.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.488 6.511 -9.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.191 6.592 -9.574 1.00 0.00 H new ATOM 511 N GLU A 38 -1.892 6.121 -3.142 1.00 0.00 N ATOM 512 CA GLU A 38 -1.347 7.288 -2.442 1.00 0.00 C ATOM 513 C GLU A 38 -0.727 6.924 -1.088 1.00 0.00 C ATOM 514 O GLU A 38 0.321 7.468 -0.723 1.00 0.00 O ATOM 515 CB GLU A 38 -2.452 8.330 -2.232 1.00 0.00 C ATOM 516 CG GLU A 38 -2.854 8.916 -3.588 1.00 0.00 C ATOM 517 CD GLU A 38 -1.806 9.925 -4.043 1.00 0.00 C ATOM 518 OE1 GLU A 38 -1.473 10.797 -3.258 1.00 0.00 O ATOM 519 OE2 GLU A 38 -1.353 9.810 -5.171 1.00 0.00 O ATOM 0 H GLU A 38 -2.871 6.215 -3.411 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.553 7.696 -3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.315 7.871 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.101 9.121 -1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.950 8.119 -4.325 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.828 9.399 -3.512 1.00 0.00 H new ATOM 526 N HIS A 39 -1.367 6.011 -0.346 1.00 0.00 N ATOM 527 CA HIS A 39 -0.833 5.614 0.964 1.00 0.00 C ATOM 528 C HIS A 39 0.228 4.514 0.825 1.00 0.00 C ATOM 529 O HIS A 39 1.176 4.464 1.609 1.00 0.00 O ATOM 530 CB HIS A 39 -1.976 5.229 1.949 1.00 0.00 C ATOM 531 CG HIS A 39 -2.497 3.818 1.752 1.00 0.00 C ATOM 532 ND1 HIS A 39 -3.846 3.553 1.576 1.00 0.00 N ATOM 533 CD2 HIS A 39 -1.877 2.589 1.771 1.00 0.00 C ATOM 534 CE1 HIS A 39 -3.992 2.218 1.502 1.00 0.00 C ATOM 535 NE2 HIS A 39 -2.822 1.584 1.615 1.00 0.00 N ATOM 0 H HIS A 39 -2.232 5.544 -0.620 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.328 6.477 1.399 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.614 5.334 2.972 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.800 5.932 1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -0.815 2.431 1.889 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -4.940 1.719 1.368 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -2.658 0.578 1.592 1.00 0.00 H new ATOM 544 N LEU A 40 0.062 3.642 -0.177 1.00 0.00 N ATOM 545 CA LEU A 40 1.019 2.549 -0.409 1.00 0.00 C ATOM 546 C LEU A 40 2.417 3.103 -0.728 1.00 0.00 C ATOM 547 O LEU A 40 3.424 2.441 -0.463 1.00 0.00 O ATOM 548 CB LEU A 40 0.531 1.656 -1.562 1.00 0.00 C ATOM 549 CG LEU A 40 1.382 0.382 -1.638 1.00 0.00 C ATOM 550 CD1 LEU A 40 0.879 -0.631 -0.606 1.00 0.00 C ATOM 551 CD2 LEU A 40 1.276 -0.227 -3.039 1.00 0.00 C ATOM 0 H LEU A 40 -0.717 3.669 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 40 1.086 1.954 0.502 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.516 1.395 -1.412 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.592 2.200 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 40 2.422 0.632 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.484 -1.536 -0.660 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.957 -0.202 0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.162 -0.877 -0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.882 -1.132 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.236 -0.475 -3.250 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.635 0.491 -3.776 1.00 0.00 H new ATOM 563 N GLN A 41 2.471 4.315 -1.291 1.00 0.00 N ATOM 564 CA GLN A 41 3.748 4.942 -1.629 1.00 0.00 C ATOM 565 C GLN A 41 4.503 5.321 -0.355 1.00 0.00 C ATOM 566 O GLN A 41 5.722 5.169 -0.284 1.00 0.00 O ATOM 567 CB GLN A 41 3.501 6.195 -2.486 1.00 0.00 C ATOM 568 CG GLN A 41 3.542 5.826 -3.974 1.00 0.00 C ATOM 569 CD GLN A 41 3.908 7.052 -4.807 1.00 0.00 C ATOM 570 OE1 GLN A 41 3.134 7.472 -5.667 1.00 0.00 O ATOM 571 NE2 GLN A 41 5.048 7.651 -4.602 1.00 0.00 N ATOM 0 H GLN A 41 1.650 4.876 -1.520 1.00 0.00 H new ATOM 0 HA GLN A 41 4.352 4.233 -2.196 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.534 6.632 -2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.257 6.950 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.271 5.033 -4.140 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.572 5.439 -4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.687 7.301 -3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.300 8.470 -5.155 1.00 0.00 H new ATOM 580 N ARG A 42 3.769 5.802 0.650 1.00 0.00 N ATOM 581 CA ARG A 42 4.378 6.186 1.925 1.00 0.00 C ATOM 582 C ARG A 42 4.843 4.949 2.701 1.00 0.00 C ATOM 583 O ARG A 42 5.820 5.013 3.452 1.00 0.00 O ATOM 584 CB ARG A 42 3.379 6.970 2.775 1.00 0.00 C ATOM 585 CG ARG A 42 3.057 8.302 2.091 1.00 0.00 C ATOM 586 CD ARG A 42 2.015 9.067 2.914 1.00 0.00 C ATOM 587 NE ARG A 42 2.198 10.512 2.751 1.00 0.00 N ATOM 588 CZ ARG A 42 3.231 11.183 3.298 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.160 10.575 4.001 1.00 0.00 N ATOM 590 NH2 ARG A 42 3.317 12.472 3.124 1.00 0.00 N ATOM 0 H ARG A 42 2.759 5.934 0.607 1.00 0.00 H new ATOM 0 HA ARG A 42 5.242 6.814 1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.467 6.389 2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.793 7.150 3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.964 8.898 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.679 8.123 1.084 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.012 8.783 2.597 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.105 8.799 3.967 1.00 0.00 H new ATOM 0 HE ARG A 42 1.515 11.032 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.112 9.566 4.146 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.929 11.112 4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.607 12.962 2.579 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.094 12.991 3.533 1.00 0.00 H new ATOM 604 N GLN A 43 4.137 3.828 2.513 1.00 0.00 N ATOM 605 CA GLN A 43 4.485 2.583 3.196 1.00 0.00 C ATOM 606 C GLN A 43 5.758 1.977 2.605 1.00 0.00 C ATOM 607 O GLN A 43 6.552 1.368 3.324 1.00 0.00 O ATOM 608 CB GLN A 43 3.336 1.580 3.068 1.00 0.00 C ATOM 609 CG GLN A 43 2.232 1.924 4.071 1.00 0.00 C ATOM 610 CD GLN A 43 1.427 0.674 4.410 1.00 0.00 C ATOM 611 OE1 GLN A 43 1.547 0.139 5.512 1.00 0.00 O ATOM 612 NE2 GLN A 43 0.608 0.175 3.525 1.00 0.00 N ATOM 0 H GLN A 43 3.327 3.760 1.897 1.00 0.00 H new ATOM 0 HA GLN A 43 4.660 2.808 4.248 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.937 1.598 2.054 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.702 0.569 3.249 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.670 2.341 4.978 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.575 2.687 3.654 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.510 0.620 2.612 1.00 0.00 H new ATOM 0 HE22 GLN A 43 0.066 -0.660 3.746 1.00 0.00 H new ATOM 621 N GLN A 44 5.944 2.147 1.293 1.00 0.00 N ATOM 622 CA GLN A 44 7.125 1.613 0.616 1.00 0.00 C ATOM 623 C GLN A 44 8.356 2.475 0.908 1.00 0.00 C ATOM 624 O GLN A 44 9.474 1.962 1.000 1.00 0.00 O ATOM 625 CB GLN A 44 6.882 1.558 -0.895 1.00 0.00 C ATOM 626 CG GLN A 44 7.794 0.501 -1.522 1.00 0.00 C ATOM 627 CD GLN A 44 7.363 0.223 -2.956 1.00 0.00 C ATOM 628 OE1 GLN A 44 6.621 -0.729 -3.208 1.00 0.00 O ATOM 629 NE2 GLN A 44 7.784 1.000 -3.914 1.00 0.00 N ATOM 0 H GLN A 44 5.296 2.647 0.684 1.00 0.00 H new ATOM 0 HA GLN A 44 7.308 0.606 0.992 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.838 1.319 -1.097 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.078 2.533 -1.341 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.828 0.845 -1.505 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.754 -0.418 -0.937 1.00 0.00 H new ATOM 0 HE21 GLN A 44 8.398 1.786 -3.700 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.500 0.822 -4.877 1.00 0.00 H new ATOM 638 N ASN A 45 8.140 3.787 1.048 1.00 0.00 N ATOM 639 CA ASN A 45 9.237 4.719 1.326 1.00 0.00 C ATOM 640 C ASN A 45 9.869 4.475 2.706 1.00 0.00 C ATOM 641 O ASN A 45 10.987 4.932 2.958 1.00 0.00 O ATOM 642 CB ASN A 45 8.728 6.164 1.237 1.00 0.00 C ATOM 643 CG ASN A 45 8.752 6.637 -0.216 1.00 0.00 C ATOM 644 OD1 ASN A 45 7.892 6.256 -1.009 1.00 0.00 O ATOM 645 ND2 ASN A 45 9.693 7.446 -0.614 1.00 0.00 N ATOM 0 H ASN A 45 7.222 4.225 0.974 1.00 0.00 H new ATOM 0 HA ASN A 45 10.009 4.549 0.576 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.714 6.226 1.632 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.350 6.816 1.851 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.717 7.763 -1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.406 7.762 0.044 1.00 0.00 H new ATOM 652 N SER A 46 9.163 3.762 3.596 1.00 0.00 N ATOM 653 CA SER A 46 9.692 3.483 4.934 1.00 0.00 C ATOM 654 C SER A 46 10.900 2.548 4.861 1.00 0.00 C ATOM 655 O SER A 46 11.831 2.670 5.659 1.00 0.00 O ATOM 656 CB SER A 46 8.611 2.853 5.815 1.00 0.00 C ATOM 657 OG SER A 46 7.364 3.485 5.554 1.00 0.00 O ATOM 0 H SER A 46 8.237 3.374 3.415 1.00 0.00 H new ATOM 0 HA SER A 46 10.008 4.430 5.372 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.539 1.784 5.614 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.874 2.962 6.867 1.00 0.00 H new ATOM 0 HG SER A 46 6.881 2.983 4.865 1.00 0.00 H new ATOM 663 N GLY A 47 10.877 1.619 3.900 1.00 0.00 N ATOM 664 CA GLY A 47 11.975 0.666 3.732 1.00 0.00 C ATOM 665 C GLY A 47 12.056 -0.290 4.921 1.00 0.00 C ATOM 666 O GLY A 47 13.067 -0.325 5.626 1.00 0.00 O ATOM 0 H GLY A 47 10.115 1.508 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.831 0.098 2.813 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.917 1.205 3.629 1.00 0.00 H new ATOM 670 N ARG A 48 10.986 -1.058 5.136 1.00 0.00 N ATOM 671 CA ARG A 48 10.940 -2.009 6.245 1.00 0.00 C ATOM 672 C ARG A 48 11.524 -3.359 5.834 1.00 0.00 C ATOM 673 O ARG A 48 12.248 -3.989 6.609 1.00 0.00 O ATOM 674 CB ARG A 48 9.493 -2.199 6.709 1.00 0.00 C ATOM 675 CG ARG A 48 9.091 -1.038 7.620 1.00 0.00 C ATOM 676 CD ARG A 48 7.702 -1.306 8.201 1.00 0.00 C ATOM 677 NE ARG A 48 6.674 -1.161 7.162 1.00 0.00 N ATOM 678 CZ ARG A 48 5.371 -1.407 7.386 1.00 0.00 C ATOM 679 NH1 ARG A 48 4.932 -1.819 8.556 1.00 0.00 N ATOM 680 NH2 ARG A 48 4.518 -1.237 6.414 1.00 0.00 N ATOM 0 H ARG A 48 10.145 -1.040 4.560 1.00 0.00 H new ATOM 0 HA ARG A 48 11.539 -1.606 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.827 -2.246 5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 48 9.392 -3.145 7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.818 -0.924 8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 48 9.088 -0.104 7.058 1.00 0.00 H new ATOM 0 HD2 ARG A 48 7.664 -2.311 8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.503 -0.612 9.018 1.00 0.00 H new ATOM 0 HE ARG A 48 6.961 -0.861 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.587 -1.961 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 48 3.937 -1.997 8.694 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.843 -0.922 5.500 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.526 -1.419 6.568 1.00 0.00 H new ATOM 694 N MET A 49 11.206 -3.800 4.613 1.00 0.00 N ATOM 695 CA MET A 49 11.706 -5.082 4.105 1.00 0.00 C ATOM 696 C MET A 49 12.680 -4.857 2.943 1.00 0.00 C ATOM 697 O MET A 49 12.727 -5.646 1.994 1.00 0.00 O ATOM 698 CB MET A 49 10.521 -5.945 3.646 1.00 0.00 C ATOM 699 CG MET A 49 10.875 -7.429 3.774 1.00 0.00 C ATOM 700 SD MET A 49 9.545 -8.427 3.058 1.00 0.00 S ATOM 701 CE MET A 49 10.163 -10.046 3.582 1.00 0.00 C ATOM 0 H MET A 49 10.608 -3.292 3.961 1.00 0.00 H new ATOM 0 HA MET A 49 12.241 -5.597 4.903 1.00 0.00 H new ATOM 0 HB2 MET A 49 9.641 -5.719 4.248 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.268 -5.711 2.612 1.00 0.00 H new ATOM 0 HG2 MET A 49 11.815 -7.635 3.263 1.00 0.00 H new ATOM 0 HG3 MET A 49 11.018 -7.691 4.822 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.481 -10.824 3.239 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.151 -10.215 3.153 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.230 -10.075 4.670 1.00 0.00 H new ATOM 711 N SER A 50 13.460 -3.773 3.029 1.00 0.00 N ATOM 712 CA SER A 50 14.429 -3.446 1.986 1.00 0.00 C ATOM 713 C SER A 50 15.650 -2.736 2.589 1.00 0.00 C ATOM 714 O SER A 50 15.549 -2.159 3.675 1.00 0.00 O ATOM 715 CB SER A 50 13.779 -2.544 0.939 1.00 0.00 C ATOM 716 OG SER A 50 13.070 -1.501 1.594 1.00 0.00 O ATOM 0 H SER A 50 13.437 -3.113 3.807 1.00 0.00 H new ATOM 0 HA SER A 50 14.758 -4.373 1.515 1.00 0.00 H new ATOM 0 HB2 SER A 50 14.540 -2.125 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 50 13.100 -3.124 0.313 1.00 0.00 H new ATOM 0 HG SER A 50 12.653 -0.919 0.925 1.00 0.00 H new ATOM 722 N PRO A 51 16.793 -2.756 1.917 1.00 0.00 N ATOM 723 CA PRO A 51 18.029 -2.089 2.425 1.00 0.00 C ATOM 724 C PRO A 51 17.989 -0.575 2.216 1.00 0.00 C ATOM 725 O PRO A 51 17.357 -0.088 1.277 1.00 0.00 O ATOM 726 CB PRO A 51 19.148 -2.729 1.601 1.00 0.00 C ATOM 727 CG PRO A 51 18.512 -3.114 0.308 1.00 0.00 C ATOM 728 CD PRO A 51 17.042 -3.413 0.610 1.00 0.00 C ATOM 0 HA PRO A 51 18.158 -2.222 3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 51 19.969 -2.030 1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 51 19.563 -3.599 2.110 1.00 0.00 H new ATOM 0 HG2 PRO A 51 18.601 -2.309 -0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 51 19.004 -3.987 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 51 16.388 -3.015 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 51 16.857 -4.486 0.663 1.00 0.00 H new ATOM 736 N MET A 52 18.670 0.160 3.099 1.00 0.00 N ATOM 737 CA MET A 52 18.711 1.620 3.008 1.00 0.00 C ATOM 738 C MET A 52 20.092 2.141 3.407 1.00 0.00 C ATOM 739 O MET A 52 20.888 1.414 4.005 1.00 0.00 O ATOM 740 CB MET A 52 17.630 2.247 3.904 1.00 0.00 C ATOM 741 CG MET A 52 17.779 1.759 5.354 1.00 0.00 C ATOM 742 SD MET A 52 16.841 0.227 5.596 1.00 0.00 S ATOM 743 CE MET A 52 17.518 -0.198 7.220 1.00 0.00 C ATOM 0 H MET A 52 19.197 -0.230 3.880 1.00 0.00 H new ATOM 0 HA MET A 52 18.514 1.904 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 52 17.708 3.334 3.871 1.00 0.00 H new ATOM 0 HB3 MET A 52 16.641 1.986 3.527 1.00 0.00 H new ATOM 0 HG2 MET A 52 18.831 1.590 5.583 1.00 0.00 H new ATOM 0 HG3 MET A 52 17.422 2.525 6.042 1.00 0.00 H new ATOM 0 HE1 MET A 52 17.070 -1.128 7.569 1.00 0.00 H new ATOM 0 HE2 MET A 52 18.598 -0.322 7.143 1.00 0.00 H new ATOM 0 HE3 MET A 52 17.294 0.600 7.928 1.00 0.00 H new ATOM 753 N GLY A 53 20.366 3.403 3.069 1.00 0.00 N ATOM 754 CA GLY A 53 21.652 4.019 3.390 1.00 0.00 C ATOM 755 C GLY A 53 22.545 4.085 2.153 1.00 0.00 C ATOM 756 O GLY A 53 22.948 5.169 1.728 1.00 0.00 O ATOM 0 H GLY A 53 19.716 4.015 2.575 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.492 5.023 3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.149 3.447 4.173 1.00 0.00 H new ATOM 760 N THR A 54 22.847 2.916 1.583 1.00 0.00 N ATOM 761 CA THR A 54 23.689 2.844 0.392 1.00 0.00 C ATOM 762 C THR A 54 22.858 3.089 -0.864 1.00 0.00 C ATOM 763 O THR A 54 22.008 2.271 -1.221 1.00 0.00 O ATOM 764 CB THR A 54 24.359 1.471 0.308 1.00 0.00 C ATOM 765 OG1 THR A 54 23.364 0.459 0.372 1.00 0.00 O ATOM 766 CG2 THR A 54 25.336 1.301 1.472 1.00 0.00 C ATOM 0 H THR A 54 22.522 2.012 1.926 1.00 0.00 H new ATOM 0 HA THR A 54 24.456 3.615 0.462 1.00 0.00 H new ATOM 0 HB THR A 54 24.904 1.390 -0.632 1.00 0.00 H new ATOM 0 HG1 THR A 54 22.592 0.725 -0.169 1.00 0.00 H new ATOM 0 HG21 THR A 54 25.811 0.322 1.408 1.00 0.00 H new ATOM 0 HG22 THR A 54 26.099 2.078 1.423 1.00 0.00 H new ATOM 0 HG23 THR A 54 24.796 1.382 2.415 1.00 0.00 H new ATOM 774 N ALA A 55 23.107 4.221 -1.525 1.00 0.00 N ATOM 775 CA ALA A 55 22.375 4.573 -2.740 1.00 0.00 C ATOM 776 C ALA A 55 23.126 4.105 -3.983 1.00 0.00 C ATOM 777 O ALA A 55 24.317 3.793 -3.915 1.00 0.00 O ATOM 778 CB ALA A 55 22.172 6.088 -2.805 1.00 0.00 C ATOM 0 H ALA A 55 23.807 4.906 -1.240 1.00 0.00 H new ATOM 0 HA ALA A 55 21.406 4.074 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 55 21.626 6.343 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 55 21.603 6.417 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 55 23.142 6.585 -2.813 1.00 0.00 H new ATOM 784 N SER A 56 22.419 4.058 -5.114 1.00 0.00 N ATOM 785 CA SER A 56 23.021 3.628 -6.374 1.00 0.00 C ATOM 786 C SER A 56 22.398 4.379 -7.556 1.00 0.00 C ATOM 787 O SER A 56 22.238 3.822 -8.649 1.00 0.00 O ATOM 788 CB SER A 56 22.823 2.118 -6.547 1.00 0.00 C ATOM 789 OG SER A 56 21.433 1.821 -6.511 1.00 0.00 O ATOM 0 H SER A 56 21.433 4.312 -5.182 1.00 0.00 H new ATOM 0 HA SER A 56 24.087 3.854 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 56 23.253 1.789 -7.493 1.00 0.00 H new ATOM 0 HB3 SER A 56 23.343 1.578 -5.756 1.00 0.00 H new ATOM 0 HG SER A 56 21.302 0.856 -6.623 1.00 0.00 H new ATOM 795 N GLY A 57 22.048 5.649 -7.331 1.00 0.00 N ATOM 796 CA GLY A 57 21.446 6.472 -8.378 1.00 0.00 C ATOM 797 C GLY A 57 19.938 6.244 -8.443 1.00 0.00 C ATOM 798 O GLY A 57 19.383 6.025 -9.521 1.00 0.00 O ATOM 0 H GLY A 57 22.171 6.125 -6.437 1.00 0.00 H new ATOM 0 HA2 GLY A 57 21.652 7.525 -8.183 1.00 0.00 H new ATOM 0 HA3 GLY A 57 21.897 6.232 -9.341 1.00 0.00 H new ATOM 802 N SER A 58 19.286 6.297 -7.279 1.00 0.00 N ATOM 803 CA SER A 58 17.840 6.097 -7.205 1.00 0.00 C ATOM 804 C SER A 58 17.241 6.907 -6.045 1.00 0.00 C ATOM 805 O SER A 58 16.272 6.480 -5.410 1.00 0.00 O ATOM 806 CB SER A 58 17.537 4.608 -7.017 1.00 0.00 C ATOM 807 OG SER A 58 18.438 4.061 -6.062 1.00 0.00 O ATOM 0 H SER A 58 19.735 6.476 -6.381 1.00 0.00 H new ATOM 0 HA SER A 58 17.389 6.444 -8.135 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.509 4.474 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.633 4.083 -7.967 1.00 0.00 H new ATOM 0 HG SER A 58 18.245 3.108 -5.938 1.00 0.00 H new ATOM 813 N ASN A 59 17.824 8.081 -5.782 1.00 0.00 N ATOM 814 CA ASN A 59 17.345 8.944 -4.705 1.00 0.00 C ATOM 815 C ASN A 59 16.064 9.661 -5.120 1.00 0.00 C ATOM 816 O ASN A 59 15.988 10.224 -6.215 1.00 0.00 O ATOM 817 CB ASN A 59 18.415 9.978 -4.345 1.00 0.00 C ATOM 818 CG ASN A 59 19.583 9.294 -3.645 1.00 0.00 C ATOM 819 OD1 ASN A 59 20.470 8.750 -4.302 1.00 0.00 O ATOM 820 ND2 ASN A 59 19.637 9.288 -2.342 1.00 0.00 N ATOM 0 H ASN A 59 18.622 8.451 -6.298 1.00 0.00 H new ATOM 0 HA ASN A 59 17.135 8.321 -3.836 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.764 10.481 -5.246 1.00 0.00 H new ATOM 0 HB3 ASN A 59 17.989 10.744 -3.697 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.415 8.832 -1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 59 18.901 9.739 -1.799 1.00 0.00 H new ATOM 827 N SER A 60 15.064 9.640 -4.236 1.00 0.00 N ATOM 828 CA SER A 60 13.788 10.295 -4.514 1.00 0.00 C ATOM 829 C SER A 60 13.834 11.760 -4.064 1.00 0.00 C ATOM 830 O SER A 60 14.611 12.102 -3.170 1.00 0.00 O ATOM 831 CB SER A 60 12.658 9.566 -3.785 1.00 0.00 C ATOM 832 OG SER A 60 12.721 8.179 -4.089 1.00 0.00 O ATOM 0 H SER A 60 15.114 9.179 -3.327 1.00 0.00 H new ATOM 0 HA SER A 60 13.604 10.261 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.746 9.719 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.693 9.973 -4.087 1.00 0.00 H new ATOM 0 HG SER A 60 11.999 7.709 -3.622 1.00 0.00 H new ATOM 838 N PRO A 61 13.030 12.633 -4.658 1.00 0.00 N ATOM 839 CA PRO A 61 13.009 14.080 -4.286 1.00 0.00 C ATOM 840 C PRO A 61 12.261 14.325 -2.976 1.00 0.00 C ATOM 841 O PRO A 61 11.431 13.509 -2.565 1.00 0.00 O ATOM 842 CB PRO A 61 12.296 14.746 -5.463 1.00 0.00 C ATOM 843 CG PRO A 61 11.396 13.696 -6.025 1.00 0.00 C ATOM 844 CD PRO A 61 12.056 12.346 -5.738 1.00 0.00 C ATOM 0 HA PRO A 61 14.010 14.476 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.728 15.617 -5.137 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.010 15.093 -6.210 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.408 13.748 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.258 13.839 -7.097 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.322 11.604 -5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.551 11.949 -6.624 1.00 0.00 H new ATOM 852 N THR A 62 12.562 15.452 -2.327 1.00 0.00 N ATOM 853 CA THR A 62 11.916 15.801 -1.064 1.00 0.00 C ATOM 854 C THR A 62 10.509 16.334 -1.313 1.00 0.00 C ATOM 855 O THR A 62 9.567 15.682 -0.894 1.00 0.00 O ATOM 856 CB THR A 62 12.742 16.860 -0.330 1.00 0.00 C ATOM 857 OG1 THR A 62 12.945 17.975 -1.184 1.00 0.00 O ATOM 858 CG2 THR A 62 14.094 16.265 0.069 1.00 0.00 C ATOM 859 OXT THR A 62 10.394 17.386 -1.919 1.00 0.00 O ATOM 0 H THR A 62 13.246 16.134 -2.655 1.00 0.00 H new ATOM 0 HA THR A 62 11.850 14.903 -0.450 1.00 0.00 H new ATOM 0 HB THR A 62 12.211 17.182 0.566 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.136 18.133 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.683 17.018 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.935 15.409 0.725 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.628 15.943 -0.825 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -10.338 6.771 -1.025 1.00 0.00 ZN