USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=18 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 31 MET CE :methyl -170:sc= 0 (180deg=0) USER MOD Set 1.2: A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLY N :NH3+ 142:sc= 0.0396 (180deg=0) USER MOD Single : A 2 SER OG : rot 90:sc= 1.53 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.68) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.0201 K(o=-0.02,f=-0.97) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -77:sc= 1.46 USER MOD Single : A 23 TYR OH : rot -60:sc= 0.246 USER MOD Single : A 25 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.6!) USER MOD Single : A 28 THR OG1 : rot -17:sc= 0.779 USER MOD Single : A 29 ASN : amide:sc= -0.401 K(o=-0.4,f=-2.1!) 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 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.207 X(o=-0.21,f=-0.25) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0.36) USER MOD Single : A 46 SER OG : rot 180:sc= -0.132 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.231 USER MOD Single : A 59 ASN : amide:sc= 0.614 K(o=0.61,f=-3.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.772 -19.038 13.485 1.00 0.00 N ATOM 2 CA GLY A 1 -36.067 -17.760 13.192 1.00 0.00 C ATOM 3 C GLY A 1 -36.815 -16.603 13.849 1.00 0.00 C ATOM 4 O GLY A 1 -38.045 -16.606 13.909 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.737 -19.654 12.647 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.308 -19.515 14.285 1.00 0.00 H new ATOM 0 H3 GLY A 1 -37.764 -18.840 13.728 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -35.044 -17.803 13.564 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -36.008 -17.604 12.115 1.00 0.00 H new ATOM 10 N SER A 2 -36.060 -15.616 14.338 1.00 0.00 N ATOM 11 CA SER A 2 -36.657 -14.453 14.990 1.00 0.00 C ATOM 12 C SER A 2 -36.827 -13.309 13.993 1.00 0.00 C ATOM 13 O SER A 2 -37.910 -12.730 13.883 1.00 0.00 O ATOM 14 CB SER A 2 -35.771 -13.995 16.149 1.00 0.00 C ATOM 15 OG SER A 2 -34.410 -14.030 15.741 1.00 0.00 O ATOM 0 H SER A 2 -35.041 -15.600 14.294 1.00 0.00 H new ATOM 0 HA SER A 2 -37.638 -14.736 15.372 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.045 -12.985 16.455 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.920 -14.642 17.014 1.00 0.00 H new ATOM 0 HG SER A 2 -34.164 -13.167 15.347 1.00 0.00 H new ATOM 21 N MET A 3 -35.751 -12.991 13.269 1.00 0.00 N ATOM 22 CA MET A 3 -35.787 -11.913 12.277 1.00 0.00 C ATOM 23 C MET A 3 -34.898 -12.250 11.079 1.00 0.00 C ATOM 24 O MET A 3 -33.722 -11.880 11.038 1.00 0.00 O ATOM 25 CB MET A 3 -35.342 -10.576 12.902 1.00 0.00 C ATOM 26 CG MET A 3 -34.023 -10.747 13.683 1.00 0.00 C ATOM 27 SD MET A 3 -34.368 -11.048 15.438 1.00 0.00 S ATOM 28 CE MET A 3 -32.827 -10.365 16.096 1.00 0.00 C ATOM 0 H MET A 3 -34.849 -13.461 13.350 1.00 0.00 H new ATOM 0 HA MET A 3 -36.816 -11.811 11.933 1.00 0.00 H new ATOM 0 HB2 MET A 3 -35.212 -9.829 12.119 1.00 0.00 H new ATOM 0 HB3 MET A 3 -36.120 -10.205 13.570 1.00 0.00 H new ATOM 0 HG2 MET A 3 -33.452 -11.578 13.269 1.00 0.00 H new ATOM 0 HG3 MET A 3 -33.409 -9.853 13.574 1.00 0.00 H new ATOM 0 HE1 MET A 3 -32.826 -10.449 17.183 1.00 0.00 H new ATOM 0 HE2 MET A 3 -31.981 -10.918 15.689 1.00 0.00 H new ATOM 0 HE3 MET A 3 -32.744 -9.315 15.814 1.00 0.00 H new ATOM 38 N ALA A 4 -35.473 -12.952 10.100 1.00 0.00 N ATOM 39 CA ALA A 4 -34.733 -13.335 8.900 1.00 0.00 C ATOM 40 C ALA A 4 -34.925 -12.298 7.796 1.00 0.00 C ATOM 41 O ALA A 4 -33.989 -11.989 7.057 1.00 0.00 O ATOM 42 CB ALA A 4 -35.208 -14.701 8.404 1.00 0.00 C ATOM 0 H ALA A 4 -36.444 -13.265 10.116 1.00 0.00 H new ATOM 0 HA ALA A 4 -33.674 -13.389 9.154 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -34.650 -14.977 7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -35.042 -15.448 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -36.271 -14.653 8.168 1.00 0.00 H new ATOM 48 N GLN A 5 -36.145 -11.768 7.693 1.00 0.00 N ATOM 49 CA GLN A 5 -36.458 -10.768 6.675 1.00 0.00 C ATOM 50 C GLN A 5 -36.096 -9.368 7.164 1.00 0.00 C ATOM 51 O GLN A 5 -35.384 -8.630 6.478 1.00 0.00 O ATOM 52 CB GLN A 5 -37.948 -10.820 6.335 1.00 0.00 C ATOM 53 CG GLN A 5 -38.213 -11.977 5.372 1.00 0.00 C ATOM 54 CD GLN A 5 -38.157 -13.305 6.120 1.00 0.00 C ATOM 55 OE1 GLN A 5 -37.312 -14.149 5.824 1.00 0.00 O ATOM 56 NE2 GLN A 5 -39.013 -13.541 7.075 1.00 0.00 N ATOM 0 H GLN A 5 -36.928 -12.014 8.299 1.00 0.00 H new ATOM 0 HA GLN A 5 -35.872 -10.991 5.784 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -38.535 -10.949 7.245 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -38.262 -9.879 5.884 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -39.190 -11.855 4.905 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -37.474 -11.970 4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -39.712 -12.839 7.318 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -38.983 -14.427 7.579 1.00 0.00 H new ATOM 65 N GLU A 6 -36.598 -9.006 8.346 1.00 0.00 N ATOM 66 CA GLU A 6 -36.331 -7.688 8.917 1.00 0.00 C ATOM 67 C GLU A 6 -34.961 -7.649 9.588 1.00 0.00 C ATOM 68 O GLU A 6 -34.821 -8.019 10.758 1.00 0.00 O ATOM 69 CB GLU A 6 -37.414 -7.333 9.940 1.00 0.00 C ATOM 70 CG GLU A 6 -38.757 -7.165 9.228 1.00 0.00 C ATOM 71 CD GLU A 6 -38.798 -5.828 8.497 1.00 0.00 C ATOM 72 OE1 GLU A 6 -38.436 -4.833 9.103 1.00 0.00 O ATOM 73 OE2 GLU A 6 -39.190 -5.817 7.342 1.00 0.00 O ATOM 0 H GLU A 6 -37.189 -9.605 8.923 1.00 0.00 H new ATOM 0 HA GLU A 6 -36.340 -6.959 8.107 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -37.486 -8.116 10.695 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -37.149 -6.413 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -38.907 -7.980 8.520 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -39.570 -7.218 9.952 1.00 0.00 H new ATOM 80 N THR A 7 -33.951 -7.191 8.843 1.00 0.00 N ATOM 81 CA THR A 7 -32.590 -7.092 9.370 1.00 0.00 C ATOM 82 C THR A 7 -32.247 -5.635 9.670 1.00 0.00 C ATOM 83 O THR A 7 -32.572 -4.744 8.884 1.00 0.00 O ATOM 84 CB THR A 7 -31.590 -7.655 8.357 1.00 0.00 C ATOM 85 OG1 THR A 7 -31.775 -7.008 7.106 1.00 0.00 O ATOM 86 CG2 THR A 7 -31.815 -9.159 8.194 1.00 0.00 C ATOM 0 H THR A 7 -34.051 -6.884 7.875 1.00 0.00 H new ATOM 0 HA THR A 7 -32.531 -7.671 10.291 1.00 0.00 H new ATOM 0 HB THR A 7 -30.574 -7.480 8.712 1.00 0.00 H new ATOM 0 HG1 THR A 7 -31.135 -7.365 6.455 1.00 0.00 H new ATOM 0 HG21 THR A 7 -31.102 -9.557 7.472 1.00 0.00 H new ATOM 0 HG22 THR A 7 -31.674 -9.654 9.155 1.00 0.00 H new ATOM 0 HG23 THR A 7 -32.830 -9.339 7.839 1.00 0.00 H new ATOM 94 N ASN A 8 -31.594 -5.404 10.810 1.00 0.00 N ATOM 95 CA ASN A 8 -31.213 -4.053 11.208 1.00 0.00 C ATOM 96 C ASN A 8 -29.831 -3.701 10.662 1.00 0.00 C ATOM 97 O ASN A 8 -29.700 -2.820 9.811 1.00 0.00 O ATOM 98 CB ASN A 8 -31.215 -3.939 12.732 1.00 0.00 C ATOM 99 CG ASN A 8 -32.648 -3.876 13.248 1.00 0.00 C ATOM 100 OD1 ASN A 8 -33.459 -4.751 12.942 1.00 0.00 O ATOM 101 ND2 ASN A 8 -33.012 -2.887 14.017 1.00 0.00 N ATOM 0 H ASN A 8 -31.320 -6.133 11.469 1.00 0.00 H new ATOM 0 HA ASN A 8 -31.938 -3.352 10.794 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -30.699 -4.794 13.170 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -30.670 -3.047 13.039 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -33.969 -2.838 14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -32.339 -2.163 14.270 1.00 0.00 H new ATOM 108 N GLN A 9 -28.805 -4.401 11.155 1.00 0.00 N ATOM 109 CA GLN A 9 -27.437 -4.161 10.706 1.00 0.00 C ATOM 110 C GLN A 9 -27.099 -5.072 9.528 1.00 0.00 C ATOM 111 O GLN A 9 -27.628 -6.180 9.422 1.00 0.00 O ATOM 112 CB GLN A 9 -26.450 -4.419 11.847 1.00 0.00 C ATOM 113 CG GLN A 9 -26.543 -3.286 12.873 1.00 0.00 C ATOM 114 CD GLN A 9 -25.251 -3.209 13.678 1.00 0.00 C ATOM 115 OE1 GLN A 9 -25.198 -3.673 14.817 1.00 0.00 O ATOM 116 NE2 GLN A 9 -24.198 -2.648 13.150 1.00 0.00 N ATOM 0 H GLN A 9 -28.898 -5.132 11.860 1.00 0.00 H new ATOM 0 HA GLN A 9 -27.358 -3.121 10.391 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -26.671 -5.374 12.324 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -25.435 -4.486 11.455 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -26.723 -2.338 12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -27.388 -3.456 13.540 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -24.244 -2.264 12.206 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -23.329 -2.593 13.681 1.00 0.00 H new ATOM 125 N THR A 10 -26.218 -4.595 8.647 1.00 0.00 N ATOM 126 CA THR A 10 -25.813 -5.374 7.476 1.00 0.00 C ATOM 127 C THR A 10 -24.570 -4.751 6.818 1.00 0.00 C ATOM 128 O THR A 10 -24.693 -3.762 6.089 1.00 0.00 O ATOM 129 CB THR A 10 -26.962 -5.451 6.453 1.00 0.00 C ATOM 130 OG1 THR A 10 -26.495 -6.091 5.274 1.00 0.00 O ATOM 131 CG2 THR A 10 -27.473 -4.047 6.098 1.00 0.00 C ATOM 0 H THR A 10 -25.774 -3.680 8.721 1.00 0.00 H new ATOM 0 HA THR A 10 -25.569 -6.383 7.808 1.00 0.00 H new ATOM 0 HB THR A 10 -27.782 -6.019 6.892 1.00 0.00 H new ATOM 0 HG1 THR A 10 -27.223 -6.144 4.620 1.00 0.00 H new ATOM 0 HG21 THR A 10 -28.284 -4.127 5.374 1.00 0.00 H new ATOM 0 HG22 THR A 10 -27.838 -3.554 6.999 1.00 0.00 H new ATOM 0 HG23 THR A 10 -26.660 -3.462 5.669 1.00 0.00 H new ATOM 139 N PRO A 11 -23.376 -5.293 7.047 1.00 0.00 N ATOM 140 CA PRO A 11 -22.129 -4.741 6.441 1.00 0.00 C ATOM 141 C PRO A 11 -22.029 -5.078 4.954 1.00 0.00 C ATOM 142 O PRO A 11 -22.752 -5.946 4.460 1.00 0.00 O ATOM 143 CB PRO A 11 -21.001 -5.399 7.238 1.00 0.00 C ATOM 144 CG PRO A 11 -21.570 -6.671 7.772 1.00 0.00 C ATOM 145 CD PRO A 11 -23.083 -6.472 7.896 1.00 0.00 C ATOM 0 HA PRO A 11 -22.094 -3.653 6.490 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -20.136 -5.593 6.604 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -20.664 -4.751 8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -21.345 -7.503 7.105 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -21.133 -6.911 8.741 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -23.628 -7.352 7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -23.376 -6.298 8.931 1.00 0.00 H new ATOM 153 N GLY A 12 -21.137 -4.380 4.250 1.00 0.00 N ATOM 154 CA GLY A 12 -20.956 -4.604 2.818 1.00 0.00 C ATOM 155 C GLY A 12 -20.373 -3.362 2.130 1.00 0.00 C ATOM 156 O GLY A 12 -19.368 -3.471 1.426 1.00 0.00 O ATOM 0 H GLY A 12 -20.533 -3.660 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.292 -5.454 2.662 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.913 -4.859 2.363 1.00 0.00 H new ATOM 160 N PRO A 13 -20.975 -2.190 2.306 1.00 0.00 N ATOM 161 CA PRO A 13 -20.473 -0.938 1.665 1.00 0.00 C ATOM 162 C PRO A 13 -19.235 -0.379 2.375 1.00 0.00 C ATOM 163 O PRO A 13 -19.335 0.541 3.194 1.00 0.00 O ATOM 164 CB PRO A 13 -21.662 0.021 1.767 1.00 0.00 C ATOM 165 CG PRO A 13 -22.423 -0.419 2.972 1.00 0.00 C ATOM 166 CD PRO A 13 -22.186 -1.923 3.121 1.00 0.00 C ATOM 0 HA PRO A 13 -20.146 -1.102 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.327 1.053 1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.282 -0.025 0.872 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.084 0.115 3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -23.486 -0.205 2.857 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -22.031 -2.199 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -23.040 -2.497 2.762 1.00 0.00 H new ATOM 174 N MET A 14 -18.069 -0.945 2.051 1.00 0.00 N ATOM 175 CA MET A 14 -16.812 -0.504 2.655 1.00 0.00 C ATOM 176 C MET A 14 -16.402 0.870 2.123 1.00 0.00 C ATOM 177 O MET A 14 -15.744 0.969 1.083 1.00 0.00 O ATOM 178 CB MET A 14 -15.697 -1.511 2.354 1.00 0.00 C ATOM 179 CG MET A 14 -15.916 -2.788 3.165 1.00 0.00 C ATOM 180 SD MET A 14 -15.518 -2.476 4.903 1.00 0.00 S ATOM 181 CE MET A 14 -15.668 -4.187 5.475 1.00 0.00 C ATOM 0 H MET A 14 -17.971 -1.705 1.378 1.00 0.00 H new ATOM 0 HA MET A 14 -16.965 -0.436 3.732 1.00 0.00 H new ATOM 0 HB2 MET A 14 -15.683 -1.744 1.289 1.00 0.00 H new ATOM 0 HB3 MET A 14 -14.727 -1.077 2.598 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.951 -3.118 3.071 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.289 -3.590 2.776 1.00 0.00 H new ATOM 0 HE1 MET A 14 -15.460 -4.233 6.544 1.00 0.00 H new ATOM 0 HE2 MET A 14 -16.680 -4.546 5.286 1.00 0.00 H new ATOM 0 HE3 MET A 14 -14.955 -4.814 4.939 1.00 0.00 H new ATOM 191 N LEU A 15 -16.784 1.927 2.844 1.00 0.00 N ATOM 192 CA LEU A 15 -16.433 3.285 2.431 1.00 0.00 C ATOM 193 C LEU A 15 -14.992 3.591 2.834 1.00 0.00 C ATOM 194 O LEU A 15 -14.549 3.198 3.915 1.00 0.00 O ATOM 195 CB LEU A 15 -17.407 4.305 3.068 1.00 0.00 C ATOM 196 CG LEU A 15 -18.491 4.759 2.061 1.00 0.00 C ATOM 197 CD1 LEU A 15 -17.850 5.432 0.842 1.00 0.00 C ATOM 198 CD2 LEU A 15 -19.321 3.558 1.596 1.00 0.00 C ATOM 0 H LEU A 15 -17.329 1.870 3.704 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.517 3.363 1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.884 3.858 3.941 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.849 5.173 3.419 1.00 0.00 H new ATOM 0 HG LEU A 15 -19.139 5.476 2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.629 5.744 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -17.282 6.304 1.165 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.182 4.727 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -20.080 3.892 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.669 2.830 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.806 3.096 2.456 1.00 0.00 H new ATOM 210 N CYS A 16 -14.257 4.277 1.942 1.00 0.00 N ATOM 211 CA CYS A 16 -12.841 4.629 2.172 1.00 0.00 C ATOM 212 C CYS A 16 -12.565 5.113 3.603 1.00 0.00 C ATOM 213 O CYS A 16 -13.159 6.086 4.069 1.00 0.00 O ATOM 214 CB CYS A 16 -12.413 5.720 1.188 1.00 0.00 C ATOM 215 SG CYS A 16 -10.604 5.751 1.068 1.00 0.00 S ATOM 0 H CYS A 16 -14.622 4.602 1.047 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.264 3.717 2.018 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.850 5.532 0.207 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.783 6.690 1.521 1.00 0.00 H new ATOM 220 N SER A 17 -11.659 4.406 4.288 1.00 0.00 N ATOM 221 CA SER A 17 -11.297 4.742 5.670 1.00 0.00 C ATOM 222 C SER A 17 -10.813 6.194 5.810 1.00 0.00 C ATOM 223 O SER A 17 -10.881 6.761 6.903 1.00 0.00 O ATOM 224 CB SER A 17 -10.211 3.790 6.175 1.00 0.00 C ATOM 225 OG SER A 17 -10.611 2.449 5.919 1.00 0.00 O ATOM 0 H SER A 17 -11.164 3.599 3.909 1.00 0.00 H new ATOM 0 HA SER A 17 -12.198 4.634 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.265 4.001 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.049 3.937 7.243 1.00 0.00 H new ATOM 0 HG SER A 17 -9.918 1.834 6.239 1.00 0.00 H new ATOM 231 N THR A 18 -10.341 6.793 4.707 1.00 0.00 N ATOM 232 CA THR A 18 -9.871 8.184 4.745 1.00 0.00 C ATOM 233 C THR A 18 -11.035 9.186 4.660 1.00 0.00 C ATOM 234 O THR A 18 -10.828 10.382 4.870 1.00 0.00 O ATOM 235 CB THR A 18 -8.901 8.459 3.591 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.594 8.342 2.359 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.734 7.463 3.626 1.00 0.00 C ATOM 0 H THR A 18 -10.275 6.345 3.793 1.00 0.00 H new ATOM 0 HA THR A 18 -9.363 8.317 5.700 1.00 0.00 H new ATOM 0 HB THR A 18 -8.501 9.468 3.694 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.726 7.394 2.147 1.00 0.00 H new ATOM 0 HG21 THR A 18 -7.053 7.671 2.800 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.199 7.562 4.571 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.119 6.448 3.532 1.00 0.00 H new ATOM 245 N GLY A 19 -12.256 8.705 4.368 1.00 0.00 N ATOM 246 CA GLY A 19 -13.422 9.584 4.281 1.00 0.00 C ATOM 247 C GLY A 19 -13.425 10.421 3.002 1.00 0.00 C ATOM 248 O GLY A 19 -13.788 11.599 3.035 1.00 0.00 O ATOM 0 H GLY A 19 -12.454 7.720 4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.331 8.983 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -13.440 10.247 5.146 1.00 0.00 H new ATOM 252 N CYS A 20 -13.034 9.812 1.876 1.00 0.00 N ATOM 253 CA CYS A 20 -13.018 10.532 0.596 1.00 0.00 C ATOM 254 C CYS A 20 -14.393 10.477 -0.121 1.00 0.00 C ATOM 255 O CYS A 20 -14.601 11.183 -1.110 1.00 0.00 O ATOM 256 CB CYS A 20 -11.876 10.007 -0.311 1.00 0.00 C ATOM 257 SG CYS A 20 -12.186 8.304 -0.854 1.00 0.00 S ATOM 0 H CYS A 20 -12.729 8.840 1.823 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.823 11.583 0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.775 10.655 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.931 10.051 0.230 1.00 0.00 H new ATOM 262 N GLY A 21 -15.330 9.654 0.391 1.00 0.00 N ATOM 263 CA GLY A 21 -16.671 9.548 -0.204 1.00 0.00 C ATOM 264 C GLY A 21 -16.762 8.495 -1.320 1.00 0.00 C ATOM 265 O GLY A 21 -17.843 8.279 -1.871 1.00 0.00 O ATOM 0 H GLY A 21 -15.182 9.060 1.207 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.389 9.301 0.578 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.960 10.519 -0.606 1.00 0.00 H new ATOM 269 N PHE A 22 -15.642 7.850 -1.661 1.00 0.00 N ATOM 270 CA PHE A 22 -15.630 6.840 -2.715 1.00 0.00 C ATOM 271 C PHE A 22 -15.647 5.438 -2.113 1.00 0.00 C ATOM 272 O PHE A 22 -15.529 5.274 -0.897 1.00 0.00 O ATOM 273 CB PHE A 22 -14.388 7.010 -3.592 1.00 0.00 C ATOM 274 CG PHE A 22 -14.559 8.212 -4.493 1.00 0.00 C ATOM 275 CD1 PHE A 22 -15.251 8.088 -5.703 1.00 0.00 C ATOM 276 CD2 PHE A 22 -14.017 9.448 -4.119 1.00 0.00 C ATOM 277 CE1 PHE A 22 -15.403 9.201 -6.541 1.00 0.00 C ATOM 278 CE2 PHE A 22 -14.166 10.559 -4.957 1.00 0.00 C ATOM 279 CZ PHE A 22 -14.860 10.436 -6.167 1.00 0.00 C ATOM 0 H PHE A 22 -14.736 8.011 -1.222 1.00 0.00 H new ATOM 0 HA PHE A 22 -16.523 6.970 -3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.504 7.135 -2.967 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -14.229 6.114 -4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -15.668 7.134 -5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -13.484 9.544 -3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -15.938 9.106 -7.474 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.746 11.512 -4.670 1.00 0.00 H new ATOM 0 HZ PHE A 22 -14.976 11.294 -6.812 1.00 0.00 H new ATOM 289 N TYR A 23 -15.806 4.434 -2.977 1.00 0.00 N ATOM 290 CA TYR A 23 -15.855 3.042 -2.532 1.00 0.00 C ATOM 291 C TYR A 23 -14.457 2.484 -2.280 1.00 0.00 C ATOM 292 O TYR A 23 -13.532 2.726 -3.055 1.00 0.00 O ATOM 293 CB TYR A 23 -16.552 2.185 -3.591 1.00 0.00 C ATOM 294 CG TYR A 23 -17.109 0.938 -2.952 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.276 1.012 -2.186 1.00 0.00 C ATOM 296 CD2 TYR A 23 -16.463 -0.292 -3.129 1.00 0.00 C ATOM 297 CE1 TYR A 23 -18.797 -0.143 -1.595 1.00 0.00 C ATOM 298 CE2 TYR A 23 -16.985 -1.447 -2.536 1.00 0.00 C ATOM 299 CZ TYR A 23 -18.154 -1.373 -1.772 1.00 0.00 C ATOM 300 OH TYR A 23 -18.669 -2.514 -1.190 1.00 0.00 O ATOM 0 H TYR A 23 -15.903 4.559 -3.985 1.00 0.00 H new ATOM 0 HA TYR A 23 -16.412 3.012 -1.595 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -17.354 2.753 -4.062 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.847 1.918 -4.378 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -18.775 1.960 -2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -15.563 -0.349 -3.723 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -19.697 -0.086 -1.001 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -16.485 -2.395 -2.668 1.00 0.00 H new ATOM 0 HH TYR A 23 -18.695 -2.402 -0.217 1.00 0.00 H new ATOM 310 N GLY A 24 -14.328 1.714 -1.196 1.00 0.00 N ATOM 311 CA GLY A 24 -13.056 1.087 -0.841 1.00 0.00 C ATOM 312 C GLY A 24 -13.159 -0.428 -1.009 1.00 0.00 C ATOM 313 O GLY A 24 -14.256 -0.986 -0.942 1.00 0.00 O ATOM 0 H GLY A 24 -15.091 1.511 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.259 1.478 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.795 1.331 0.189 1.00 0.00 H new ATOM 317 N ASN A 25 -12.018 -1.087 -1.226 1.00 0.00 N ATOM 318 CA ASN A 25 -12.007 -2.543 -1.401 1.00 0.00 C ATOM 319 C ASN A 25 -11.553 -3.245 -0.111 1.00 0.00 C ATOM 320 O ASN A 25 -10.594 -2.793 0.522 1.00 0.00 O ATOM 321 CB ASN A 25 -11.066 -2.942 -2.544 1.00 0.00 C ATOM 322 CG ASN A 25 -11.557 -4.231 -3.207 1.00 0.00 C ATOM 323 OD1 ASN A 25 -10.964 -5.292 -3.016 1.00 0.00 O ATOM 324 ND2 ASN A 25 -12.612 -4.199 -3.977 1.00 0.00 N ATOM 0 H ASN A 25 -11.101 -0.644 -1.284 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.024 -2.854 -1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.018 -2.141 -3.281 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.056 -3.084 -2.160 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.945 -5.055 -4.421 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.102 -3.318 -4.134 1.00 0.00 H new ATOM 331 N PRO A 26 -12.198 -4.335 0.291 1.00 0.00 N ATOM 332 CA PRO A 26 -11.801 -5.075 1.525 1.00 0.00 C ATOM 333 C PRO A 26 -10.503 -5.860 1.338 1.00 0.00 C ATOM 334 O PRO A 26 -9.766 -6.077 2.301 1.00 0.00 O ATOM 335 CB PRO A 26 -12.986 -5.996 1.805 1.00 0.00 C ATOM 336 CG PRO A 26 -13.651 -6.214 0.488 1.00 0.00 C ATOM 337 CD PRO A 26 -13.361 -4.978 -0.366 1.00 0.00 C ATOM 0 HA PRO A 26 -11.592 -4.401 2.356 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.654 -6.940 2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.673 -5.543 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.269 -7.114 0.007 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.725 -6.352 0.616 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.133 -5.252 -1.396 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.220 -4.307 -0.397 1.00 0.00 H new ATOM 345 N ARG A 27 -10.214 -6.259 0.093 1.00 0.00 N ATOM 346 CA ARG A 27 -8.977 -6.991 -0.203 1.00 0.00 C ATOM 347 C ARG A 27 -7.768 -6.044 -0.163 1.00 0.00 C ATOM 348 O ARG A 27 -6.650 -6.472 0.136 1.00 0.00 O ATOM 349 CB ARG A 27 -9.070 -7.653 -1.582 1.00 0.00 C ATOM 350 CG ARG A 27 -9.808 -8.992 -1.462 1.00 0.00 C ATOM 351 CD ARG A 27 -8.823 -10.088 -1.048 1.00 0.00 C ATOM 352 NE ARG A 27 -9.546 -11.273 -0.569 1.00 0.00 N ATOM 353 CZ ARG A 27 -8.941 -12.288 0.077 1.00 0.00 C ATOM 354 NH1 ARG A 27 -7.656 -12.267 0.355 1.00 0.00 N ATOM 355 NH2 ARG A 27 -9.652 -13.320 0.446 1.00 0.00 N ATOM 0 H ARG A 27 -10.812 -6.090 -0.716 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.845 -7.762 0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -9.596 -6.998 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.071 -7.812 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.609 -8.912 -0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.273 -9.248 -2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.192 -10.357 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.163 -9.716 -0.264 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.551 -11.330 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.088 -11.466 0.080 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.227 -13.052 0.846 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.651 -13.349 0.244 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.208 -14.096 0.936 1.00 0.00 H new ATOM 369 N THR A 28 -8.008 -4.754 -0.435 1.00 0.00 N ATOM 370 CA THR A 28 -6.946 -3.755 -0.397 1.00 0.00 C ATOM 371 C THR A 28 -6.742 -3.323 1.072 1.00 0.00 C ATOM 372 O THR A 28 -7.005 -4.116 1.979 1.00 0.00 O ATOM 373 CB THR A 28 -7.325 -2.561 -1.304 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.479 -1.921 -0.781 1.00 0.00 O ATOM 375 CG2 THR A 28 -7.612 -3.049 -2.729 1.00 0.00 C ATOM 0 H THR A 28 -8.926 -4.385 -0.682 1.00 0.00 H new ATOM 0 HA THR A 28 -6.009 -4.164 -0.774 1.00 0.00 H new ATOM 0 HB THR A 28 -6.493 -1.857 -1.332 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.925 -2.519 -0.145 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.878 -2.199 -3.358 1.00 0.00 H new ATOM 0 HG22 THR A 28 -6.724 -3.536 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.439 -3.759 -2.711 1.00 0.00 H new ATOM 383 N ASN A 29 -6.309 -2.076 1.316 1.00 0.00 N ATOM 384 CA ASN A 29 -6.119 -1.584 2.681 1.00 0.00 C ATOM 385 C ASN A 29 -7.399 -0.904 3.203 1.00 0.00 C ATOM 386 O ASN A 29 -7.321 0.003 4.039 1.00 0.00 O ATOM 387 CB ASN A 29 -4.940 -0.598 2.729 1.00 0.00 C ATOM 388 CG ASN A 29 -3.619 -1.356 2.889 1.00 0.00 C ATOM 389 OD1 ASN A 29 -3.585 -2.437 3.477 1.00 0.00 O ATOM 390 ND2 ASN A 29 -2.521 -0.844 2.400 1.00 0.00 N ATOM 0 H ASN A 29 -6.086 -1.397 0.588 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.898 -2.436 3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.917 -0.003 1.816 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.071 0.096 3.559 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.636 -1.340 2.505 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.549 0.052 1.913 1.00 0.00 H new ATOM 397 N GLY A 30 -8.575 -1.326 2.705 1.00 0.00 N ATOM 398 CA GLY A 30 -9.836 -0.724 3.130 1.00 0.00 C ATOM 399 C GLY A 30 -10.055 0.653 2.483 1.00 0.00 C ATOM 400 O GLY A 30 -10.876 1.437 2.964 1.00 0.00 O ATOM 0 H GLY A 30 -8.671 -2.073 2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.662 -1.385 2.867 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.843 -0.621 4.215 1.00 0.00 H new ATOM 404 N MET A 31 -9.315 0.950 1.397 1.00 0.00 N ATOM 405 CA MET A 31 -9.442 2.240 0.714 1.00 0.00 C ATOM 406 C MET A 31 -9.795 2.058 -0.760 1.00 0.00 C ATOM 407 O MET A 31 -9.761 0.946 -1.291 1.00 0.00 O ATOM 408 CB MET A 31 -8.125 3.019 0.798 1.00 0.00 C ATOM 409 CG MET A 31 -7.740 3.248 2.258 1.00 0.00 C ATOM 410 SD MET A 31 -6.198 4.195 2.323 1.00 0.00 S ATOM 411 CE MET A 31 -5.728 3.748 4.010 1.00 0.00 C ATOM 0 H MET A 31 -8.631 0.317 0.982 1.00 0.00 H new ATOM 0 HA MET A 31 -10.241 2.789 1.211 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.335 2.468 0.288 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.227 3.976 0.287 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.534 3.786 2.776 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.616 2.293 2.769 1.00 0.00 H new ATOM 0 HE1 MET A 31 -4.888 4.364 4.329 1.00 0.00 H new ATOM 0 HE2 MET A 31 -6.573 3.912 4.679 1.00 0.00 H new ATOM 0 HE3 MET A 31 -5.440 2.697 4.041 1.00 0.00 H new ATOM 421 N CYS A 32 -10.127 3.176 -1.410 1.00 0.00 N ATOM 422 CA CYS A 32 -10.480 3.173 -2.819 1.00 0.00 C ATOM 423 C CYS A 32 -9.206 3.070 -3.670 1.00 0.00 C ATOM 424 O CYS A 32 -8.142 2.762 -3.145 1.00 0.00 O ATOM 425 CB CYS A 32 -11.309 4.435 -3.144 1.00 0.00 C ATOM 426 SG CYS A 32 -10.326 5.948 -2.935 1.00 0.00 S ATOM 0 H CYS A 32 -10.157 4.097 -0.973 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.097 2.307 -3.056 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.676 4.377 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.183 4.475 -2.494 1.00 0.00 H new ATOM 431 N SER A 33 -9.324 3.304 -4.976 1.00 0.00 N ATOM 432 CA SER A 33 -8.165 3.200 -5.872 1.00 0.00 C ATOM 433 C SER A 33 -7.185 4.370 -5.702 1.00 0.00 C ATOM 434 O SER A 33 -5.970 4.167 -5.674 1.00 0.00 O ATOM 435 CB SER A 33 -8.643 3.114 -7.326 1.00 0.00 C ATOM 436 OG SER A 33 -7.900 2.110 -8.004 1.00 0.00 O ATOM 0 H SER A 33 -10.196 3.564 -5.436 1.00 0.00 H new ATOM 0 HA SER A 33 -7.624 2.292 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.707 2.880 -7.358 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.513 4.076 -7.821 1.00 0.00 H new ATOM 0 HG SER A 33 -8.204 2.050 -8.934 1.00 0.00 H new ATOM 442 N VAL A 34 -7.716 5.590 -5.618 1.00 0.00 N ATOM 443 CA VAL A 34 -6.878 6.796 -5.485 1.00 0.00 C ATOM 444 C VAL A 34 -6.063 6.786 -4.183 1.00 0.00 C ATOM 445 O VAL A 34 -4.855 7.012 -4.201 1.00 0.00 O ATOM 446 CB VAL A 34 -7.762 8.065 -5.513 1.00 0.00 C ATOM 447 CG1 VAL A 34 -6.880 9.317 -5.610 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.701 8.032 -6.725 1.00 0.00 C ATOM 0 H VAL A 34 -8.719 5.776 -5.639 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.185 6.801 -6.326 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.349 8.094 -4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.511 10.206 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.216 9.362 -4.747 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.286 9.274 -6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.317 8.931 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.112 7.989 -7.641 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.342 7.153 -6.664 1.00 0.00 H new ATOM 458 N CYS A 35 -6.743 6.557 -3.066 1.00 0.00 N ATOM 459 CA CYS A 35 -6.103 6.554 -1.752 1.00 0.00 C ATOM 460 C CYS A 35 -5.196 5.338 -1.561 1.00 0.00 C ATOM 461 O CYS A 35 -4.175 5.428 -0.876 1.00 0.00 O ATOM 462 CB CYS A 35 -7.169 6.561 -0.643 1.00 0.00 C ATOM 463 SG CYS A 35 -8.250 8.012 -0.804 1.00 0.00 S ATOM 0 H CYS A 35 -7.745 6.369 -3.043 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.490 7.453 -1.691 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.764 5.650 -0.698 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.685 6.568 0.334 1.00 0.00 H new ATOM 468 N TYR A 36 -5.587 4.195 -2.135 1.00 0.00 N ATOM 469 CA TYR A 36 -4.804 2.967 -1.982 1.00 0.00 C ATOM 470 C TYR A 36 -3.421 3.078 -2.634 1.00 0.00 C ATOM 471 O TYR A 36 -2.468 2.478 -2.132 1.00 0.00 O ATOM 472 CB TYR A 36 -5.576 1.761 -2.552 1.00 0.00 C ATOM 473 CG TYR A 36 -4.820 0.470 -2.298 1.00 0.00 C ATOM 474 CD1 TYR A 36 -4.487 0.092 -0.988 1.00 0.00 C ATOM 475 CD2 TYR A 36 -4.464 -0.351 -3.375 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.796 -1.104 -0.761 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.773 -1.548 -3.146 1.00 0.00 C ATOM 478 CZ TYR A 36 -3.442 -1.923 -1.838 1.00 0.00 C ATOM 479 OH TYR A 36 -2.764 -3.103 -1.611 1.00 0.00 O ATOM 0 H TYR A 36 -6.429 4.096 -2.702 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.646 2.815 -0.914 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.564 1.706 -2.094 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.728 1.894 -3.623 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.764 0.723 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.722 -0.061 -4.383 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.536 -1.394 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.496 -2.180 -3.977 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.596 -3.553 -2.465 1.00 0.00 H new ATOM 489 N LYS A 37 -3.299 3.827 -3.737 1.00 0.00 N ATOM 490 CA LYS A 37 -1.999 3.968 -4.400 1.00 0.00 C ATOM 491 C LYS A 37 -1.111 4.957 -3.652 1.00 0.00 C ATOM 492 O LYS A 37 0.079 4.698 -3.462 1.00 0.00 O ATOM 493 CB LYS A 37 -2.160 4.385 -5.873 1.00 0.00 C ATOM 494 CG LYS A 37 -2.971 5.680 -6.004 1.00 0.00 C ATOM 495 CD LYS A 37 -2.974 6.123 -7.470 1.00 0.00 C ATOM 496 CE LYS A 37 -4.003 5.299 -8.247 1.00 0.00 C ATOM 497 NZ LYS A 37 -3.902 5.618 -9.697 1.00 0.00 N ATOM 0 H LYS A 37 -4.066 4.333 -4.180 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.514 2.992 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.177 4.523 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.655 3.587 -6.426 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.992 5.521 -5.657 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.539 6.459 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.213 7.184 -7.540 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.983 5.990 -7.904 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.830 4.235 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.008 5.517 -7.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.601 5.058 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.088 6.631 -9.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.946 5.388 -10.037 1.00 0.00 H new ATOM 511 N GLU A 38 -1.689 6.085 -3.222 1.00 0.00 N ATOM 512 CA GLU A 38 -0.926 7.099 -2.487 1.00 0.00 C ATOM 513 C GLU A 38 -0.432 6.526 -1.164 1.00 0.00 C ATOM 514 O GLU A 38 0.727 6.713 -0.787 1.00 0.00 O ATOM 515 CB GLU A 38 -1.796 8.329 -2.203 1.00 0.00 C ATOM 516 CG GLU A 38 -2.274 8.955 -3.520 1.00 0.00 C ATOM 517 CD GLU A 38 -2.494 10.454 -3.333 1.00 0.00 C ATOM 518 OE1 GLU A 38 -1.600 11.103 -2.816 1.00 0.00 O ATOM 519 OE2 GLU A 38 -3.554 10.931 -3.705 1.00 0.00 O ATOM 0 H GLU A 38 -2.672 6.317 -3.368 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.076 7.394 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.654 8.044 -1.595 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.228 9.061 -1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.537 8.782 -4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.200 8.480 -3.843 1.00 0.00 H new ATOM 526 N HIS A 39 -1.328 5.831 -0.462 1.00 0.00 N ATOM 527 CA HIS A 39 -1.005 5.218 0.831 1.00 0.00 C ATOM 528 C HIS A 39 0.134 4.201 0.707 1.00 0.00 C ATOM 529 O HIS A 39 1.045 4.171 1.540 1.00 0.00 O ATOM 530 CB HIS A 39 -2.257 4.511 1.365 1.00 0.00 C ATOM 531 CG HIS A 39 -2.122 4.237 2.833 1.00 0.00 C ATOM 532 ND1 HIS A 39 -2.249 5.233 3.786 1.00 0.00 N ATOM 533 CD2 HIS A 39 -1.904 3.075 3.528 1.00 0.00 C ATOM 534 CE1 HIS A 39 -2.109 4.658 4.992 1.00 0.00 C ATOM 535 NE2 HIS A 39 -1.894 3.343 4.894 1.00 0.00 N ATOM 0 H HIS A 39 -2.289 5.677 -0.768 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.680 6.003 1.513 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.136 5.130 1.184 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.410 3.575 0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.762 2.101 3.084 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -2.164 5.194 5.928 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.753 2.679 5.655 1.00 0.00 H new ATOM 544 N LEU A 40 0.061 3.353 -0.324 1.00 0.00 N ATOM 545 CA LEU A 40 1.075 2.315 -0.539 1.00 0.00 C ATOM 546 C LEU A 40 2.448 2.923 -0.863 1.00 0.00 C ATOM 547 O LEU A 40 3.479 2.322 -0.544 1.00 0.00 O ATOM 548 CB LEU A 40 0.620 1.367 -1.670 1.00 0.00 C ATOM 549 CG LEU A 40 0.397 -0.047 -1.118 1.00 0.00 C ATOM 550 CD1 LEU A 40 -0.840 -0.060 -0.210 1.00 0.00 C ATOM 551 CD2 LEU A 40 0.183 -1.017 -2.281 1.00 0.00 C ATOM 0 H LEU A 40 -0.685 3.364 -1.019 1.00 0.00 H new ATOM 0 HA LEU A 40 1.182 1.747 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.301 1.740 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.372 1.343 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 40 1.271 -0.351 -0.541 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.995 -1.066 0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.690 0.631 0.619 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.715 0.246 -0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.024 -2.023 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.690 -0.709 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.062 -1.012 -2.925 1.00 0.00 H new ATOM 563 N GLN A 41 2.460 4.106 -1.482 1.00 0.00 N ATOM 564 CA GLN A 41 3.725 4.769 -1.817 1.00 0.00 C ATOM 565 C GLN A 41 4.399 5.306 -0.545 1.00 0.00 C ATOM 566 O GLN A 41 5.629 5.367 -0.467 1.00 0.00 O ATOM 567 CB GLN A 41 3.480 5.921 -2.818 1.00 0.00 C ATOM 568 CG GLN A 41 4.067 5.561 -4.191 1.00 0.00 C ATOM 569 CD GLN A 41 3.860 6.707 -5.174 1.00 0.00 C ATOM 570 OE1 GLN A 41 2.858 6.739 -5.887 1.00 0.00 O ATOM 571 NE2 GLN A 41 4.752 7.654 -5.261 1.00 0.00 N ATOM 0 H GLN A 41 1.623 4.619 -1.758 1.00 0.00 H new ATOM 0 HA GLN A 41 4.387 4.038 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.411 6.112 -2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.937 6.838 -2.448 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.131 5.345 -4.093 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.592 4.657 -4.571 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.583 7.628 -4.670 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.619 8.421 -5.920 1.00 0.00 H new ATOM 580 N ARG A 42 3.584 5.697 0.441 1.00 0.00 N ATOM 581 CA ARG A 42 4.101 6.229 1.703 1.00 0.00 C ATOM 582 C ARG A 42 4.662 5.113 2.584 1.00 0.00 C ATOM 583 O ARG A 42 5.611 5.334 3.338 1.00 0.00 O ATOM 584 CB ARG A 42 2.988 6.951 2.461 1.00 0.00 C ATOM 585 CG ARG A 42 3.595 7.881 3.513 1.00 0.00 C ATOM 586 CD ARG A 42 2.547 8.903 3.948 1.00 0.00 C ATOM 587 NE ARG A 42 3.009 9.615 5.142 1.00 0.00 N ATOM 588 CZ ARG A 42 2.954 9.077 6.377 1.00 0.00 C ATOM 589 NH1 ARG A 42 2.431 7.890 6.598 1.00 0.00 N ATOM 590 NH2 ARG A 42 3.434 9.753 7.385 1.00 0.00 N ATOM 0 H ARG A 42 2.566 5.655 0.388 1.00 0.00 H new ATOM 0 HA ARG A 42 4.904 6.927 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.375 7.525 1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.332 6.225 2.940 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.935 7.304 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.468 8.390 3.105 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.361 9.612 3.141 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.602 8.401 4.156 1.00 0.00 H new ATOM 0 HE ARG A 42 3.388 10.556 5.035 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.051 7.347 5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.405 7.512 7.545 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.843 10.675 7.232 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.400 9.360 8.325 1.00 0.00 H new ATOM 604 N GLN A 43 4.079 3.915 2.475 1.00 0.00 N ATOM 605 CA GLN A 43 4.539 2.770 3.262 1.00 0.00 C ATOM 606 C GLN A 43 5.878 2.241 2.741 1.00 0.00 C ATOM 607 O GLN A 43 6.643 1.637 3.496 1.00 0.00 O ATOM 608 CB GLN A 43 3.494 1.649 3.235 1.00 0.00 C ATOM 609 CG GLN A 43 3.722 0.712 4.427 1.00 0.00 C ATOM 610 CD GLN A 43 3.329 1.412 5.724 1.00 0.00 C ATOM 611 OE1 GLN A 43 4.194 1.782 6.517 1.00 0.00 O ATOM 612 NE2 GLN A 43 2.067 1.616 5.989 1.00 0.00 N ATOM 0 H GLN A 43 3.294 3.715 1.855 1.00 0.00 H new ATOM 0 HA GLN A 43 4.678 3.108 4.289 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.490 2.071 3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.566 1.092 2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.134 -0.198 4.303 1.00 0.00 H new ATOM 0 HG3 GLN A 43 4.769 0.412 4.469 1.00 0.00 H new ATOM 0 HE21 GLN A 43 1.351 1.309 5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 43 1.797 2.083 6.855 1.00 0.00 H new ATOM 621 N GLN A 44 6.158 2.474 1.454 1.00 0.00 N ATOM 622 CA GLN A 44 7.410 2.024 0.844 1.00 0.00 C ATOM 623 C GLN A 44 8.581 2.958 1.186 1.00 0.00 C ATOM 624 O GLN A 44 9.743 2.551 1.101 1.00 0.00 O ATOM 625 CB GLN A 44 7.242 1.969 -0.684 1.00 0.00 C ATOM 626 CG GLN A 44 6.155 0.947 -1.065 1.00 0.00 C ATOM 627 CD GLN A 44 6.787 -0.362 -1.529 1.00 0.00 C ATOM 628 OE1 GLN A 44 7.403 -0.411 -2.593 1.00 0.00 O ATOM 629 NE2 GLN A 44 6.666 -1.430 -0.792 1.00 0.00 N ATOM 0 H GLN A 44 5.535 2.971 0.817 1.00 0.00 H new ATOM 0 HA GLN A 44 7.638 1.035 1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.973 2.955 -1.063 1.00 0.00 H new ATOM 0 HB3 GLN A 44 8.188 1.695 -1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.507 0.761 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.527 1.355 -1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.155 -1.386 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.083 -2.310 -1.097 1.00 0.00 H new ATOM 638 N ASN A 45 8.276 4.212 1.554 1.00 0.00 N ATOM 639 CA ASN A 45 9.314 5.194 1.880 1.00 0.00 C ATOM 640 C ASN A 45 10.117 4.786 3.117 1.00 0.00 C ATOM 641 O ASN A 45 11.324 5.029 3.173 1.00 0.00 O ATOM 642 CB ASN A 45 8.670 6.576 2.104 1.00 0.00 C ATOM 643 CG ASN A 45 8.783 7.428 0.840 1.00 0.00 C ATOM 644 OD1 ASN A 45 7.967 7.297 -0.071 1.00 0.00 O ATOM 645 ND2 ASN A 45 9.757 8.291 0.733 1.00 0.00 N ATOM 0 H ASN A 45 7.323 4.566 1.632 1.00 0.00 H new ATOM 0 HA ASN A 45 10.006 5.240 1.039 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.622 6.456 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.160 7.082 2.936 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.844 8.860 -0.109 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.431 8.396 1.491 1.00 0.00 H new ATOM 652 N SER A 46 9.451 4.175 4.099 1.00 0.00 N ATOM 653 CA SER A 46 10.137 3.748 5.322 1.00 0.00 C ATOM 654 C SER A 46 11.001 2.520 5.034 1.00 0.00 C ATOM 655 O SER A 46 12.226 2.572 5.152 1.00 0.00 O ATOM 656 CB SER A 46 9.119 3.437 6.424 1.00 0.00 C ATOM 657 OG SER A 46 8.291 2.358 6.017 1.00 0.00 O ATOM 0 H SER A 46 8.453 3.967 4.074 1.00 0.00 H new ATOM 0 HA SER A 46 10.780 4.558 5.666 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.636 3.183 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.511 4.318 6.630 1.00 0.00 H new ATOM 0 HG SER A 46 7.642 2.159 6.724 1.00 0.00 H new ATOM 663 N GLY A 47 10.352 1.423 4.636 1.00 0.00 N ATOM 664 CA GLY A 47 11.057 0.184 4.303 1.00 0.00 C ATOM 665 C GLY A 47 11.885 -0.356 5.471 1.00 0.00 C ATOM 666 O GLY A 47 13.094 -0.557 5.336 1.00 0.00 O ATOM 0 H GLY A 47 9.338 1.368 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.332 -0.571 3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.712 0.361 3.450 1.00 0.00 H new ATOM 670 N ARG A 48 11.226 -0.606 6.606 1.00 0.00 N ATOM 671 CA ARG A 48 11.916 -1.142 7.777 1.00 0.00 C ATOM 672 C ARG A 48 12.051 -2.661 7.651 1.00 0.00 C ATOM 673 O ARG A 48 11.480 -3.265 6.739 1.00 0.00 O ATOM 674 CB ARG A 48 11.146 -0.779 9.064 1.00 0.00 C ATOM 675 CG ARG A 48 11.799 0.437 9.755 1.00 0.00 C ATOM 676 CD ARG A 48 11.032 1.716 9.405 1.00 0.00 C ATOM 677 NE ARG A 48 9.771 1.764 10.152 1.00 0.00 N ATOM 678 CZ ARG A 48 9.101 2.908 10.386 1.00 0.00 C ATOM 679 NH1 ARG A 48 9.522 4.067 9.930 1.00 0.00 N ATOM 680 NH2 ARG A 48 7.995 2.862 11.078 1.00 0.00 N ATOM 0 H ARG A 48 10.227 -0.447 6.736 1.00 0.00 H new ATOM 0 HA ARG A 48 12.912 -0.702 7.833 1.00 0.00 H new ATOM 0 HB2 ARG A 48 10.107 -0.554 8.823 1.00 0.00 H new ATOM 0 HB3 ARG A 48 11.138 -1.631 9.744 1.00 0.00 H new ATOM 0 HG2 ARG A 48 11.805 0.291 10.835 1.00 0.00 H new ATOM 0 HG3 ARG A 48 12.838 0.529 9.440 1.00 0.00 H new ATOM 0 HD2 ARG A 48 11.638 2.590 9.642 1.00 0.00 H new ATOM 0 HD3 ARG A 48 10.831 1.748 8.334 1.00 0.00 H new ATOM 0 HE ARG A 48 9.384 0.891 10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.380 4.118 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 48 8.991 4.915 10.125 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.652 1.969 11.432 1.00 0.00 H new ATOM 0 HH22 ARG A 48 7.474 3.719 11.265 1.00 0.00 H new ATOM 694 N MET A 49 12.817 -3.268 8.561 1.00 0.00 N ATOM 695 CA MET A 49 13.031 -4.717 8.537 1.00 0.00 C ATOM 696 C MET A 49 12.304 -5.398 9.700 1.00 0.00 C ATOM 697 O MET A 49 12.829 -6.332 10.316 1.00 0.00 O ATOM 698 CB MET A 49 14.534 -5.012 8.602 1.00 0.00 C ATOM 699 CG MET A 49 15.195 -4.560 7.302 1.00 0.00 C ATOM 700 SD MET A 49 16.992 -4.549 7.513 1.00 0.00 S ATOM 701 CE MET A 49 17.419 -4.690 5.762 1.00 0.00 C ATOM 0 H MET A 49 13.297 -2.782 9.319 1.00 0.00 H new ATOM 0 HA MET A 49 12.623 -5.116 7.608 1.00 0.00 H new ATOM 0 HB2 MET A 49 14.981 -4.494 9.450 1.00 0.00 H new ATOM 0 HB3 MET A 49 14.700 -6.078 8.756 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.918 -5.230 6.488 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.844 -3.565 7.030 1.00 0.00 H new ATOM 0 HE1 MET A 49 18.503 -4.702 5.652 1.00 0.00 H new ATOM 0 HE2 MET A 49 17.003 -5.613 5.359 1.00 0.00 H new ATOM 0 HE3 MET A 49 17.009 -3.839 5.218 1.00 0.00 H new ATOM 711 N SER A 50 11.086 -4.934 9.987 1.00 0.00 N ATOM 712 CA SER A 50 10.288 -5.509 11.069 1.00 0.00 C ATOM 713 C SER A 50 9.270 -6.508 10.507 1.00 0.00 C ATOM 714 O SER A 50 8.888 -6.401 9.339 1.00 0.00 O ATOM 715 CB SER A 50 9.553 -4.406 11.831 1.00 0.00 C ATOM 716 OG SER A 50 10.489 -3.666 12.604 1.00 0.00 O ATOM 0 H SER A 50 10.634 -4.167 9.489 1.00 0.00 H new ATOM 0 HA SER A 50 10.960 -6.029 11.752 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.038 -3.746 11.132 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.792 -4.841 12.479 1.00 0.00 H new ATOM 0 HG SER A 50 10.022 -2.957 13.093 1.00 0.00 H new ATOM 722 N PRO A 51 8.818 -7.472 11.298 1.00 0.00 N ATOM 723 CA PRO A 51 7.828 -8.483 10.836 1.00 0.00 C ATOM 724 C PRO A 51 6.400 -7.951 10.904 1.00 0.00 C ATOM 725 O PRO A 51 6.172 -6.829 11.363 1.00 0.00 O ATOM 726 CB PRO A 51 8.029 -9.645 11.807 1.00 0.00 C ATOM 727 CG PRO A 51 8.484 -9.016 13.082 1.00 0.00 C ATOM 728 CD PRO A 51 9.193 -7.709 12.712 1.00 0.00 C ATOM 0 HA PRO A 51 7.975 -8.764 9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.103 -10.202 11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 51 8.770 -10.350 11.429 1.00 0.00 H new ATOM 0 HG2 PRO A 51 7.637 -8.822 13.739 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.159 -9.681 13.620 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.870 -6.887 13.351 1.00 0.00 H new ATOM 0 HD3 PRO A 51 10.273 -7.797 12.827 1.00 0.00 H new ATOM 736 N MET A 52 5.444 -8.761 10.445 1.00 0.00 N ATOM 737 CA MET A 52 4.041 -8.363 10.459 1.00 0.00 C ATOM 738 C MET A 52 3.388 -8.755 11.782 1.00 0.00 C ATOM 739 O MET A 52 4.032 -9.363 12.641 1.00 0.00 O ATOM 740 CB MET A 52 3.295 -9.031 9.301 1.00 0.00 C ATOM 741 CG MET A 52 3.546 -8.244 8.012 1.00 0.00 C ATOM 742 SD MET A 52 5.165 -8.692 7.336 1.00 0.00 S ATOM 743 CE MET A 52 4.668 -8.792 5.599 1.00 0.00 C ATOM 0 H MET A 52 5.617 -9.690 10.062 1.00 0.00 H new ATOM 0 HA MET A 52 3.988 -7.280 10.346 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.632 -10.061 9.183 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.227 -9.068 9.515 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.764 -8.459 7.284 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.508 -7.174 8.214 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.530 -9.061 4.989 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.892 -9.549 5.485 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.282 -7.826 5.275 1.00 0.00 H new ATOM 753 N GLY A 53 2.112 -8.404 11.937 1.00 0.00 N ATOM 754 CA GLY A 53 1.377 -8.721 13.158 1.00 0.00 C ATOM 755 C GLY A 53 1.617 -7.664 14.233 1.00 0.00 C ATOM 756 O GLY A 53 1.687 -7.984 15.420 1.00 0.00 O ATOM 0 H GLY A 53 1.569 -7.902 11.235 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.311 -8.786 12.938 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.686 -9.698 13.529 1.00 0.00 H new ATOM 760 N THR A 54 1.740 -6.403 13.805 1.00 0.00 N ATOM 761 CA THR A 54 1.969 -5.295 14.734 1.00 0.00 C ATOM 762 C THR A 54 0.810 -4.303 14.675 1.00 0.00 C ATOM 763 O THR A 54 0.648 -3.588 13.683 1.00 0.00 O ATOM 764 CB THR A 54 3.276 -4.577 14.380 1.00 0.00 C ATOM 765 OG1 THR A 54 4.290 -5.539 14.129 1.00 0.00 O ATOM 766 CG2 THR A 54 3.695 -3.678 15.543 1.00 0.00 C ATOM 0 H THR A 54 1.685 -6.126 12.825 1.00 0.00 H new ATOM 0 HA THR A 54 2.039 -5.699 15.744 1.00 0.00 H new ATOM 0 HB THR A 54 3.128 -3.967 13.489 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.126 -5.081 13.901 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.625 -3.167 15.292 1.00 0.00 H new ATOM 0 HG22 THR A 54 2.915 -2.940 15.732 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.845 -4.285 16.436 1.00 0.00 H new ATOM 774 N ALA A 55 0.009 -4.265 15.742 1.00 0.00 N ATOM 775 CA ALA A 55 -1.136 -3.359 15.806 1.00 0.00 C ATOM 776 C ALA A 55 -0.765 -2.077 16.544 1.00 0.00 C ATOM 777 O ALA A 55 -1.122 -0.979 16.111 1.00 0.00 O ATOM 778 CB ALA A 55 -2.303 -4.045 16.521 1.00 0.00 C ATOM 0 H ALA A 55 0.132 -4.849 16.569 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.433 -3.104 14.789 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.153 -3.364 16.565 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.586 -4.945 15.974 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.001 -4.315 17.533 1.00 0.00 H new ATOM 784 N SER A 56 -0.044 -2.224 17.658 1.00 0.00 N ATOM 785 CA SER A 56 0.374 -1.071 18.450 1.00 0.00 C ATOM 786 C SER A 56 1.556 -0.370 17.786 1.00 0.00 C ATOM 787 O SER A 56 2.287 -0.981 17.002 1.00 0.00 O ATOM 788 CB SER A 56 0.767 -1.517 19.858 1.00 0.00 C ATOM 789 OG SER A 56 -0.225 -2.404 20.361 1.00 0.00 O ATOM 0 H SER A 56 0.260 -3.125 18.028 1.00 0.00 H new ATOM 0 HA SER A 56 -0.461 -0.374 18.513 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.738 -2.012 19.838 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.864 -0.651 20.513 1.00 0.00 H new ATOM 0 HG SER A 56 0.023 -2.694 21.263 1.00 0.00 H new ATOM 795 N GLY A 57 1.734 0.914 18.103 1.00 0.00 N ATOM 796 CA GLY A 57 2.829 1.695 17.532 1.00 0.00 C ATOM 797 C GLY A 57 2.433 2.272 16.176 1.00 0.00 C ATOM 798 O GLY A 57 3.084 2.001 15.164 1.00 0.00 O ATOM 0 H GLY A 57 1.137 1.431 18.748 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.098 2.503 18.212 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.712 1.065 17.421 1.00 0.00 H new ATOM 802 N SER A 58 1.358 3.065 16.164 1.00 0.00 N ATOM 803 CA SER A 58 0.876 3.678 14.930 1.00 0.00 C ATOM 804 C SER A 58 0.141 4.983 15.232 1.00 0.00 C ATOM 805 O SER A 58 0.550 6.052 14.774 1.00 0.00 O ATOM 806 CB SER A 58 -0.065 2.716 14.205 1.00 0.00 C ATOM 807 OG SER A 58 0.553 1.440 14.107 1.00 0.00 O ATOM 0 H SER A 58 0.809 3.295 16.992 1.00 0.00 H new ATOM 0 HA SER A 58 1.734 3.896 14.294 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.008 2.636 14.745 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.298 3.097 13.211 1.00 0.00 H new ATOM 0 HG SER A 58 -0.048 0.820 13.644 1.00 0.00 H new ATOM 813 N ASN A 59 -0.947 4.884 16.001 1.00 0.00 N ATOM 814 CA ASN A 59 -1.734 6.063 16.359 1.00 0.00 C ATOM 815 C ASN A 59 -1.167 6.731 17.613 1.00 0.00 C ATOM 816 O ASN A 59 -0.900 6.059 18.613 1.00 0.00 O ATOM 817 CB ASN A 59 -3.205 5.678 16.591 1.00 0.00 C ATOM 818 CG ASN A 59 -3.322 4.580 17.648 1.00 0.00 C ATOM 819 OD1 ASN A 59 -2.809 3.477 17.457 1.00 0.00 O ATOM 820 ND2 ASN A 59 -3.969 4.819 18.757 1.00 0.00 N ATOM 0 H ASN A 59 -1.299 4.007 16.384 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.680 6.770 15.531 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.769 6.555 16.908 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.647 5.336 15.655 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.050 4.091 19.467 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.393 5.733 18.913 1.00 0.00 H new ATOM 827 N SER A 60 -0.988 8.052 17.549 1.00 0.00 N ATOM 828 CA SER A 60 -0.454 8.803 18.682 1.00 0.00 C ATOM 829 C SER A 60 -0.784 10.299 18.542 1.00 0.00 C ATOM 830 O SER A 60 0.027 11.067 18.017 1.00 0.00 O ATOM 831 CB SER A 60 1.061 8.603 18.772 1.00 0.00 C ATOM 832 OG SER A 60 1.566 9.325 19.889 1.00 0.00 O ATOM 0 H SER A 60 -1.204 8.619 16.729 1.00 0.00 H new ATOM 0 HA SER A 60 -0.917 8.432 19.596 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.294 7.543 18.874 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.540 8.947 17.855 1.00 0.00 H new ATOM 0 HG SER A 60 2.536 9.197 19.950 1.00 0.00 H new ATOM 838 N PRO A 61 -1.954 10.733 18.998 1.00 0.00 N ATOM 839 CA PRO A 61 -2.365 12.171 18.906 1.00 0.00 C ATOM 840 C PRO A 61 -1.392 13.094 19.642 1.00 0.00 C ATOM 841 O PRO A 61 -0.619 12.642 20.490 1.00 0.00 O ATOM 842 CB PRO A 61 -3.758 12.214 19.553 1.00 0.00 C ATOM 843 CG PRO A 61 -4.248 10.804 19.552 1.00 0.00 C ATOM 844 CD PRO A 61 -3.009 9.919 19.638 1.00 0.00 C ATOM 0 HA PRO A 61 -2.369 12.523 17.874 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.706 12.610 20.567 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.431 12.863 18.992 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.914 10.623 20.396 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.816 10.591 18.646 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.759 9.679 20.671 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.156 8.972 19.118 1.00 0.00 H new ATOM 852 N THR A 62 -1.437 14.387 19.309 1.00 0.00 N ATOM 853 CA THR A 62 -0.558 15.367 19.942 1.00 0.00 C ATOM 854 C THR A 62 -1.065 16.787 19.689 1.00 0.00 C ATOM 855 O THR A 62 -1.645 17.009 18.638 1.00 0.00 O ATOM 856 CB THR A 62 0.879 15.209 19.415 1.00 0.00 C ATOM 857 OG1 THR A 62 1.718 16.199 20.002 1.00 0.00 O ATOM 858 CG2 THR A 62 0.906 15.344 17.884 1.00 0.00 C ATOM 859 OXT THR A 62 -0.866 17.629 20.550 1.00 0.00 O ATOM 0 H THR A 62 -2.069 14.775 18.609 1.00 0.00 H new ATOM 0 HA THR A 62 -0.559 15.190 21.017 1.00 0.00 H new ATOM 0 HB THR A 62 1.245 14.218 19.685 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.632 16.094 19.665 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.929 15.230 17.527 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.278 14.572 17.440 1.00 0.00 H new ATOM 0 HG23 THR A 62 0.530 16.326 17.599 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -10.313 6.976 -0.862 1.00 0.00 ZN