USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 749 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 41 GLN :FLIP amide:sc= -0.766 F(o=-5.9,f=-1.6) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.854 K(o=-1.6,f=-2.8) USER MOD Set 2.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 16 HIS : no HD1:sc= -0.161 X(o=-0.16,f=-0.0096) 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 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.148 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -110:sc= -0.699 USER MOD Single : A 62 THR OG1 : rot 172:sc= 0.0345 USER MOD Single : A 65 THR OG1 : rot 32:sc= 0.0732 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -101:sc= 0.221 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 120:sc= 0.627 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -147:sc= -0.0951 (180deg=-1.46) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 70:sc= -0.0444 USER MOD Single : A 91 SER OG : rot -90:sc= -2.65! USER MOD Single : A 95 SER OG : rot 41:sc= 0.0885 USER MOD Single : A 97 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.0068) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.342 USER MOD Single : A 103 SER OG : rot 180:sc= -0.0283 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 114.316 12.945 11.802 1.00 0.00 N ATOM 2 CA GLY A 1 115.335 13.468 10.850 1.00 0.00 C ATOM 3 C GLY A 1 116.588 12.617 10.816 1.00 0.00 C ATOM 4 O GLY A 1 117.700 13.130 10.948 1.00 0.00 O ATOM 0 H1 GLY A 1 113.479 13.562 11.788 1.00 0.00 H new ATOM 0 H2 GLY A 1 114.041 11.982 11.522 1.00 0.00 H new ATOM 0 H3 GLY A 1 114.716 12.925 12.762 1.00 0.00 H new ATOM 0 HA2 GLY A 1 114.904 13.514 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 1 115.600 14.488 11.130 1.00 0.00 H new ATOM 10 N SER A 2 116.410 11.312 10.639 1.00 0.00 N ATOM 11 CA SER A 2 117.536 10.386 10.588 1.00 0.00 C ATOM 12 C SER A 2 118.226 10.442 9.227 1.00 0.00 C ATOM 13 O SER A 2 117.567 10.471 8.188 1.00 0.00 O ATOM 14 CB SER A 2 117.064 8.960 10.874 1.00 0.00 C ATOM 15 OG SER A 2 116.474 8.866 12.159 1.00 0.00 O ATOM 0 H SER A 2 115.497 10.872 10.528 1.00 0.00 H new ATOM 0 HA SER A 2 118.254 10.684 11.352 1.00 0.00 H new ATOM 0 HB2 SER A 2 116.343 8.653 10.116 1.00 0.00 H new ATOM 0 HB3 SER A 2 117.908 8.274 10.807 1.00 0.00 H new ATOM 0 HG SER A 2 116.179 7.945 12.317 1.00 0.00 H new ATOM 21 N SER A 3 119.554 10.458 9.243 1.00 0.00 N ATOM 22 CA SER A 3 120.332 10.510 8.011 1.00 0.00 C ATOM 23 C SER A 3 120.013 11.775 7.220 1.00 0.00 C ATOM 24 O SER A 3 118.997 12.427 7.457 1.00 0.00 O ATOM 25 CB SER A 3 120.053 9.274 7.154 1.00 0.00 C ATOM 26 OG SER A 3 121.235 8.811 6.525 1.00 0.00 O ATOM 0 H SER A 3 120.114 10.436 10.095 1.00 0.00 H new ATOM 0 HA SER A 3 121.389 10.527 8.278 1.00 0.00 H new ATOM 0 HB2 SER A 3 119.635 8.483 7.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 119.305 9.513 6.398 1.00 0.00 H new ATOM 0 HG SER A 3 121.030 8.020 5.985 1.00 0.00 H new ATOM 32 N GLY A 4 120.889 12.115 6.281 1.00 0.00 N ATOM 33 CA GLY A 4 120.684 13.301 5.469 1.00 0.00 C ATOM 34 C GLY A 4 120.052 12.984 4.129 1.00 0.00 C ATOM 35 O GLY A 4 119.110 13.655 3.705 1.00 0.00 O ATOM 0 H GLY A 4 121.738 11.591 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 4 120.049 14.002 6.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 121.641 13.797 5.308 1.00 0.00 H new ATOM 39 N SER A 5 120.569 11.960 3.460 1.00 0.00 N ATOM 40 CA SER A 5 120.050 11.555 2.158 1.00 0.00 C ATOM 41 C SER A 5 120.184 12.684 1.144 1.00 0.00 C ATOM 42 O SER A 5 119.259 13.471 0.949 1.00 0.00 O ATOM 43 CB SER A 5 118.584 11.134 2.280 1.00 0.00 C ATOM 44 OG SER A 5 118.066 10.720 1.027 1.00 0.00 O ATOM 0 H SER A 5 121.348 11.394 3.798 1.00 0.00 H new ATOM 0 HA SER A 5 120.637 10.706 1.808 1.00 0.00 H new ATOM 0 HB2 SER A 5 118.495 10.321 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 5 117.994 11.966 2.664 1.00 0.00 H new ATOM 0 HG SER A 5 117.128 10.455 1.132 1.00 0.00 H new ATOM 50 N SER A 6 121.344 12.757 0.497 1.00 0.00 N ATOM 51 CA SER A 6 121.600 13.791 -0.499 1.00 0.00 C ATOM 52 C SER A 6 122.490 13.259 -1.618 1.00 0.00 C ATOM 53 O SER A 6 122.136 13.333 -2.794 1.00 0.00 O ATOM 54 CB SER A 6 122.256 15.008 0.156 1.00 0.00 C ATOM 55 OG SER A 6 123.481 14.656 0.775 1.00 0.00 O ATOM 0 H SER A 6 122.121 12.112 0.645 1.00 0.00 H new ATOM 0 HA SER A 6 120.645 14.090 -0.930 1.00 0.00 H new ATOM 0 HB2 SER A 6 122.433 15.778 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 6 121.580 15.435 0.897 1.00 0.00 H new ATOM 0 HG SER A 6 123.881 15.451 1.185 1.00 0.00 H new ATOM 61 N GLY A 7 123.647 12.724 -1.242 1.00 0.00 N ATOM 62 CA GLY A 7 124.570 12.187 -2.226 1.00 0.00 C ATOM 63 C GLY A 7 124.390 10.697 -2.437 1.00 0.00 C ATOM 64 O GLY A 7 124.507 9.911 -1.497 1.00 0.00 O ATOM 0 H GLY A 7 123.962 12.653 -0.275 1.00 0.00 H new ATOM 0 HA2 GLY A 7 124.427 12.705 -3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 7 125.593 12.385 -1.906 1.00 0.00 H new ATOM 68 N LEU A 8 124.104 10.307 -3.675 1.00 0.00 N ATOM 69 CA LEU A 8 123.908 8.901 -4.008 1.00 0.00 C ATOM 70 C LEU A 8 125.039 8.389 -4.894 1.00 0.00 C ATOM 71 O LEU A 8 124.817 7.581 -5.796 1.00 0.00 O ATOM 72 CB LEU A 8 122.563 8.706 -4.712 1.00 0.00 C ATOM 73 CG LEU A 8 121.376 9.401 -4.044 1.00 0.00 C ATOM 74 CD1 LEU A 8 120.361 9.844 -5.086 1.00 0.00 C ATOM 75 CD2 LEU A 8 120.727 8.480 -3.022 1.00 0.00 C ATOM 0 H LEU A 8 124.003 10.945 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 8 123.911 8.329 -3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 8 122.649 9.071 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 8 122.353 7.638 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 8 121.742 10.287 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 8 119.524 10.336 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 8 120.832 10.539 -5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 8 119.998 8.974 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 8 119.884 8.990 -2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 8 120.374 7.576 -3.519 1.00 0.00 H new ATOM 0 HD23 LEU A 8 121.457 8.213 -2.258 1.00 0.00 H new ATOM 87 N ALA A 9 126.252 8.865 -4.630 1.00 0.00 N ATOM 88 CA ALA A 9 127.418 8.456 -5.403 1.00 0.00 C ATOM 89 C ALA A 9 128.707 8.716 -4.631 1.00 0.00 C ATOM 90 O ALA A 9 129.394 9.710 -4.866 1.00 0.00 O ATOM 91 CB ALA A 9 127.446 9.182 -6.740 1.00 0.00 C ATOM 0 H ALA A 9 126.452 9.534 -3.887 1.00 0.00 H new ATOM 0 HA ALA A 9 127.344 7.384 -5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 9 128.322 8.867 -7.307 1.00 0.00 H new ATOM 0 HB2 ALA A 9 126.544 8.942 -7.303 1.00 0.00 H new ATOM 0 HB3 ALA A 9 127.492 10.258 -6.569 1.00 0.00 H new ATOM 97 N MET A 10 129.030 7.815 -3.707 1.00 0.00 N ATOM 98 CA MET A 10 130.237 7.947 -2.899 1.00 0.00 C ATOM 99 C MET A 10 130.223 9.252 -2.106 1.00 0.00 C ATOM 100 O MET A 10 130.923 10.204 -2.449 1.00 0.00 O ATOM 101 CB MET A 10 131.480 7.891 -3.790 1.00 0.00 C ATOM 102 CG MET A 10 131.435 6.782 -4.829 1.00 0.00 C ATOM 103 SD MET A 10 130.940 7.377 -6.458 1.00 0.00 S ATOM 104 CE MET A 10 132.189 6.616 -7.491 1.00 0.00 C ATOM 0 H MET A 10 128.473 6.986 -3.500 1.00 0.00 H new ATOM 0 HA MET A 10 130.265 7.116 -2.194 1.00 0.00 H new ATOM 0 HB2 MET A 10 131.596 8.849 -4.298 1.00 0.00 H new ATOM 0 HB3 MET A 10 132.361 7.754 -3.162 1.00 0.00 H new ATOM 0 HG2 MET A 10 132.418 6.316 -4.900 1.00 0.00 H new ATOM 0 HG3 MET A 10 130.739 6.010 -4.501 1.00 0.00 H new ATOM 0 HE1 MET A 10 132.017 6.891 -8.532 1.00 0.00 H new ATOM 0 HE2 MET A 10 133.176 6.961 -7.183 1.00 0.00 H new ATOM 0 HE3 MET A 10 132.135 5.532 -7.388 1.00 0.00 H new ATOM 114 N PRO A 11 129.419 9.313 -1.030 1.00 0.00 N ATOM 115 CA PRO A 11 129.317 10.509 -0.189 1.00 0.00 C ATOM 116 C PRO A 11 130.665 10.921 0.403 1.00 0.00 C ATOM 117 O PRO A 11 131.039 12.093 0.349 1.00 0.00 O ATOM 118 CB PRO A 11 128.344 10.104 0.923 1.00 0.00 C ATOM 119 CG PRO A 11 127.610 8.919 0.393 1.00 0.00 C ATOM 120 CD PRO A 11 128.551 8.225 -0.552 1.00 0.00 C ATOM 0 HA PRO A 11 128.980 11.372 -0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 11 128.877 9.858 1.841 1.00 0.00 H new ATOM 0 HB3 PRO A 11 127.658 10.917 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 11 127.311 8.253 1.203 1.00 0.00 H new ATOM 0 HG3 PRO A 11 126.699 9.225 -0.121 1.00 0.00 H new ATOM 0 HD2 PRO A 11 129.124 7.446 -0.049 1.00 0.00 H new ATOM 0 HD3 PRO A 11 128.016 7.748 -1.373 1.00 0.00 H new ATOM 128 N PRO A 12 131.421 9.964 0.975 1.00 0.00 N ATOM 129 CA PRO A 12 132.731 10.252 1.568 1.00 0.00 C ATOM 130 C PRO A 12 133.680 10.909 0.572 1.00 0.00 C ATOM 131 O PRO A 12 134.645 11.568 0.959 1.00 0.00 O ATOM 132 CB PRO A 12 133.259 8.873 1.974 1.00 0.00 C ATOM 133 CG PRO A 12 132.046 8.020 2.103 1.00 0.00 C ATOM 134 CD PRO A 12 131.069 8.536 1.086 1.00 0.00 C ATOM 0 HA PRO A 12 132.653 10.951 2.400 1.00 0.00 H new ATOM 0 HB2 PRO A 12 133.943 8.476 1.224 1.00 0.00 H new ATOM 0 HB3 PRO A 12 133.809 8.922 2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 12 132.284 6.972 1.919 1.00 0.00 H new ATOM 0 HG3 PRO A 12 131.631 8.081 3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 12 131.172 8.021 0.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 130.038 8.400 1.413 1.00 0.00 H new ATOM 142 N GLY A 13 133.399 10.723 -0.715 1.00 0.00 N ATOM 143 CA GLY A 13 134.237 11.303 -1.749 1.00 0.00 C ATOM 144 C GLY A 13 134.875 10.250 -2.634 1.00 0.00 C ATOM 145 O GLY A 13 135.166 10.506 -3.802 1.00 0.00 O ATOM 0 H GLY A 13 132.606 10.181 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 13 133.638 11.976 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 13 135.018 11.905 -1.285 1.00 0.00 H new ATOM 149 N ASN A 14 135.094 9.064 -2.076 1.00 0.00 N ATOM 150 CA ASN A 14 135.701 7.967 -2.821 1.00 0.00 C ATOM 151 C ASN A 14 134.738 6.790 -2.940 1.00 0.00 C ATOM 152 O ASN A 14 134.497 6.279 -4.033 1.00 0.00 O ATOM 153 CB ASN A 14 136.994 7.516 -2.142 1.00 0.00 C ATOM 154 CG ASN A 14 138.155 8.448 -2.429 1.00 0.00 C ATOM 155 OD1 ASN A 14 138.479 8.716 -3.586 1.00 0.00 O ATOM 156 ND2 ASN A 14 138.789 8.947 -1.375 1.00 0.00 N ATOM 0 H ASN A 14 134.860 8.838 -1.109 1.00 0.00 H new ATOM 0 HA ASN A 14 135.932 8.327 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 14 136.835 7.460 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 14 137.247 6.511 -2.480 1.00 0.00 H new ATOM 0 HD21 ASN A 14 139.578 9.579 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 14 138.487 8.698 -0.433 1.00 0.00 H new ATOM 163 N SER A 15 134.190 6.364 -1.805 1.00 0.00 N ATOM 164 CA SER A 15 133.254 5.248 -1.782 1.00 0.00 C ATOM 165 C SER A 15 132.700 5.032 -0.376 1.00 0.00 C ATOM 166 O SER A 15 131.490 5.082 -0.160 1.00 0.00 O ATOM 167 CB SER A 15 133.937 3.971 -2.275 1.00 0.00 C ATOM 168 OG SER A 15 133.013 2.899 -2.362 1.00 0.00 O ATOM 0 H SER A 15 134.379 6.775 -0.891 1.00 0.00 H new ATOM 0 HA SER A 15 132.425 5.488 -2.448 1.00 0.00 H new ATOM 0 HB2 SER A 15 134.385 4.149 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 134.747 3.703 -1.597 1.00 0.00 H new ATOM 0 HG SER A 15 133.474 2.095 -2.681 1.00 0.00 H new ATOM 174 N HIS A 16 133.596 4.791 0.576 1.00 0.00 N ATOM 175 CA HIS A 16 133.197 4.567 1.960 1.00 0.00 C ATOM 176 C HIS A 16 134.022 5.432 2.909 1.00 0.00 C ATOM 177 O HIS A 16 133.481 6.066 3.815 1.00 0.00 O ATOM 178 CB HIS A 16 133.358 3.091 2.327 1.00 0.00 C ATOM 179 CG HIS A 16 132.209 2.238 1.892 1.00 0.00 C ATOM 180 ND1 HIS A 16 131.498 1.433 2.757 1.00 0.00 N ATOM 181 CD2 HIS A 16 131.644 2.066 0.673 1.00 0.00 C ATOM 182 CE1 HIS A 16 130.548 0.802 2.089 1.00 0.00 C ATOM 183 NE2 HIS A 16 130.615 1.169 0.824 1.00 0.00 N ATOM 0 H HIS A 16 134.602 4.746 0.414 1.00 0.00 H new ATOM 0 HA HIS A 16 132.148 4.846 2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 16 134.274 2.710 1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 16 133.476 3.004 3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 16 131.946 2.545 -0.246 1.00 0.00 H new ATOM 0 HE1 HIS A 16 129.838 0.105 2.508 1.00 0.00 H new ATOM 0 HE2 HIS A 16 130.002 0.840 0.078 1.00 0.00 H new ATOM 192 N GLY A 17 135.334 5.452 2.696 1.00 0.00 N ATOM 193 CA GLY A 17 136.211 6.241 3.540 1.00 0.00 C ATOM 194 C GLY A 17 137.638 5.732 3.528 1.00 0.00 C ATOM 195 O GLY A 17 138.205 5.426 4.577 1.00 0.00 O ATOM 0 H GLY A 17 135.805 4.935 1.953 1.00 0.00 H new ATOM 0 HA2 GLY A 17 136.196 7.278 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 17 135.833 6.230 4.562 1.00 0.00 H new ATOM 199 N LEU A 18 138.222 5.640 2.337 1.00 0.00 N ATOM 200 CA LEU A 18 139.592 5.164 2.192 1.00 0.00 C ATOM 201 C LEU A 18 140.589 6.244 2.598 1.00 0.00 C ATOM 202 O LEU A 18 140.918 7.129 1.808 1.00 0.00 O ATOM 203 CB LEU A 18 139.853 4.729 0.748 1.00 0.00 C ATOM 204 CG LEU A 18 138.917 3.640 0.221 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.110 3.449 -1.275 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.152 2.333 0.963 1.00 0.00 C ATOM 0 H LEU A 18 137.767 5.889 1.459 1.00 0.00 H new ATOM 0 HA LEU A 18 139.724 4.307 2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.770 5.602 0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.880 4.372 0.672 1.00 0.00 H new ATOM 0 HG LEU A 18 137.888 3.954 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.436 2.670 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.892 4.383 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.141 3.156 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.478 1.569 0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.184 2.013 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 18 138.962 2.479 2.026 1.00 0.00 H new ATOM 218 N GLU A 19 141.068 6.165 3.835 1.00 0.00 N ATOM 219 CA GLU A 19 142.029 7.136 4.347 1.00 0.00 C ATOM 220 C GLU A 19 143.037 6.466 5.275 1.00 0.00 C ATOM 221 O GLU A 19 142.923 5.278 5.577 1.00 0.00 O ATOM 222 CB GLU A 19 141.303 8.260 5.089 1.00 0.00 C ATOM 223 CG GLU A 19 140.301 7.762 6.117 1.00 0.00 C ATOM 224 CD GLU A 19 140.305 8.594 7.385 1.00 0.00 C ATOM 225 OE1 GLU A 19 139.680 9.675 7.387 1.00 0.00 O ATOM 226 OE2 GLU A 19 140.932 8.163 8.375 1.00 0.00 O ATOM 0 H GLU A 19 140.807 5.439 4.502 1.00 0.00 H new ATOM 0 HA GLU A 19 142.568 7.559 3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.040 8.890 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.785 8.888 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.302 7.775 5.681 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.527 6.725 6.366 1.00 0.00 H new ATOM 233 N VAL A 20 144.023 7.236 5.725 1.00 0.00 N ATOM 234 CA VAL A 20 145.050 6.716 6.619 1.00 0.00 C ATOM 235 C VAL A 20 144.436 6.165 7.900 1.00 0.00 C ATOM 236 O VAL A 20 143.738 6.876 8.623 1.00 0.00 O ATOM 237 CB VAL A 20 146.080 7.803 6.983 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.238 7.202 7.764 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.580 8.506 5.730 1.00 0.00 C ATOM 0 H VAL A 20 144.132 8.221 5.485 1.00 0.00 H new ATOM 0 HA VAL A 20 145.555 5.910 6.086 1.00 0.00 H new ATOM 0 HB VAL A 20 145.591 8.543 7.616 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.955 7.985 8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.862 6.750 8.682 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.728 6.440 7.159 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.306 9.270 6.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.052 7.779 5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.740 8.973 5.215 1.00 0.00 H new ATOM 249 N GLY A 21 144.699 4.891 8.176 1.00 0.00 N ATOM 250 CA GLY A 21 144.164 4.265 9.371 1.00 0.00 C ATOM 251 C GLY A 21 143.115 3.216 9.056 1.00 0.00 C ATOM 252 O GLY A 21 142.936 2.260 9.811 1.00 0.00 O ATOM 0 H GLY A 21 145.273 4.282 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 21 144.977 3.804 9.931 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.727 5.030 10.014 1.00 0.00 H new ATOM 256 N SER A 22 142.420 3.395 7.938 1.00 0.00 N ATOM 257 CA SER A 22 141.382 2.457 7.523 1.00 0.00 C ATOM 258 C SER A 22 141.973 1.329 6.683 1.00 0.00 C ATOM 259 O SER A 22 143.052 1.470 6.109 1.00 0.00 O ATOM 260 CB SER A 22 140.295 3.184 6.731 1.00 0.00 C ATOM 261 OG SER A 22 139.823 4.320 7.435 1.00 0.00 O ATOM 0 H SER A 22 142.556 4.181 7.302 1.00 0.00 H new ATOM 0 HA SER A 22 140.939 2.024 8.420 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.690 3.491 5.763 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.466 2.503 6.536 1.00 0.00 H new ATOM 0 HG SER A 22 139.130 4.768 6.906 1.00 0.00 H new ATOM 267 N LEU A 23 141.257 0.211 6.615 1.00 0.00 N ATOM 268 CA LEU A 23 141.709 -0.941 5.845 1.00 0.00 C ATOM 269 C LEU A 23 141.254 -0.838 4.392 1.00 0.00 C ATOM 270 O LEU A 23 140.219 -0.239 4.097 1.00 0.00 O ATOM 271 CB LEU A 23 141.184 -2.235 6.466 1.00 0.00 C ATOM 272 CG LEU A 23 141.434 -2.381 7.968 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.439 -3.352 8.583 1.00 0.00 C ATOM 274 CD2 LEU A 23 142.860 -2.841 8.227 1.00 0.00 C ATOM 0 H LEU A 23 140.361 0.079 7.084 1.00 0.00 H new ATOM 0 HA LEU A 23 142.799 -0.954 5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.111 -2.298 6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.645 -3.079 5.953 1.00 0.00 H new ATOM 0 HG LEU A 23 141.296 -1.407 8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 140.633 -3.443 9.652 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.426 -2.982 8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.544 -4.329 8.111 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.021 -2.940 9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.025 -3.805 7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.558 -2.109 7.821 1.00 0.00 H new ATOM 286 N ALA A 24 142.031 -1.428 3.490 1.00 0.00 N ATOM 287 CA ALA A 24 141.706 -1.404 2.069 1.00 0.00 C ATOM 288 C ALA A 24 142.159 -2.687 1.380 1.00 0.00 C ATOM 289 O ALA A 24 142.913 -3.476 1.950 1.00 0.00 O ATOM 290 CB ALA A 24 142.341 -0.192 1.404 1.00 0.00 C ATOM 0 H ALA A 24 142.890 -1.929 3.718 1.00 0.00 H new ATOM 0 HA ALA A 24 140.623 -1.333 1.970 1.00 0.00 H new ATOM 0 HB1 ALA A 24 142.091 -0.186 0.343 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.964 0.718 1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.424 -0.238 1.521 1.00 0.00 H new ATOM 296 N GLU A 25 141.693 -2.889 0.152 1.00 0.00 N ATOM 297 CA GLU A 25 142.049 -4.075 -0.616 1.00 0.00 C ATOM 298 C GLU A 25 142.445 -3.702 -2.042 1.00 0.00 C ATOM 299 O GLU A 25 141.940 -2.729 -2.600 1.00 0.00 O ATOM 300 CB GLU A 25 140.880 -5.062 -0.640 1.00 0.00 C ATOM 301 CG GLU A 25 141.279 -6.470 -1.053 1.00 0.00 C ATOM 302 CD GLU A 25 140.213 -7.159 -1.880 1.00 0.00 C ATOM 303 OE1 GLU A 25 139.017 -7.009 -1.552 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.572 -7.849 -2.857 1.00 0.00 O ATOM 0 H GLU A 25 141.067 -2.246 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 25 142.904 -4.547 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.426 -5.098 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.118 -4.693 -1.327 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.206 -6.428 -1.625 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.481 -7.063 -0.161 1.00 0.00 H new ATOM 311 N VAL A 26 143.350 -4.483 -2.623 1.00 0.00 N ATOM 312 CA VAL A 26 143.813 -4.233 -3.984 1.00 0.00 C ATOM 313 C VAL A 26 143.423 -5.375 -4.915 1.00 0.00 C ATOM 314 O VAL A 26 143.204 -6.502 -4.472 1.00 0.00 O ATOM 315 CB VAL A 26 145.341 -4.044 -4.032 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.778 -3.585 -5.414 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.791 -3.057 -2.966 1.00 0.00 C ATOM 0 H VAL A 26 143.777 -5.293 -2.174 1.00 0.00 H new ATOM 0 HA VAL A 26 143.331 -3.314 -4.319 1.00 0.00 H new ATOM 0 HB VAL A 26 145.815 -5.004 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.860 -3.457 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 26 145.491 -4.333 -6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 26 145.297 -2.636 -5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.873 -2.936 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 145.310 -2.094 -3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.512 -3.433 -1.981 1.00 0.00 H new ATOM 327 N LYS A 27 143.338 -5.075 -6.206 1.00 0.00 N ATOM 328 CA LYS A 27 142.973 -6.078 -7.201 1.00 0.00 C ATOM 329 C LYS A 27 144.218 -6.678 -7.851 1.00 0.00 C ATOM 330 O LYS A 27 144.425 -6.549 -9.057 1.00 0.00 O ATOM 331 CB LYS A 27 142.069 -5.461 -8.270 1.00 0.00 C ATOM 332 CG LYS A 27 141.112 -6.456 -8.904 1.00 0.00 C ATOM 333 CD LYS A 27 140.187 -5.780 -9.903 1.00 0.00 C ATOM 334 CE LYS A 27 138.844 -6.486 -9.986 1.00 0.00 C ATOM 335 NZ LYS A 27 138.778 -7.421 -11.143 1.00 0.00 N ATOM 0 H LYS A 27 143.517 -4.146 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 27 142.430 -6.876 -6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.494 -4.650 -7.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.690 -5.020 -9.049 1.00 0.00 H new ATOM 0 HG2 LYS A 27 141.680 -7.240 -9.405 1.00 0.00 H new ATOM 0 HG3 LYS A 27 140.520 -6.939 -8.127 1.00 0.00 H new ATOM 0 HD2 LYS A 27 140.035 -4.740 -9.614 1.00 0.00 H new ATOM 0 HD3 LYS A 27 140.656 -5.772 -10.887 1.00 0.00 H new ATOM 0 HE2 LYS A 27 138.666 -7.038 -9.063 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.049 -5.745 -10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 137.846 -7.882 -11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 138.922 -6.891 -12.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 139.520 -8.144 -11.048 1.00 0.00 H new ATOM 349 N GLU A 28 145.043 -7.334 -7.041 1.00 0.00 N ATOM 350 CA GLU A 28 146.266 -7.954 -7.535 1.00 0.00 C ATOM 351 C GLU A 28 146.086 -9.461 -7.691 1.00 0.00 C ATOM 352 O GLU A 28 144.982 -9.982 -7.537 1.00 0.00 O ATOM 353 CB GLU A 28 147.431 -7.661 -6.586 1.00 0.00 C ATOM 354 CG GLU A 28 148.684 -7.174 -7.294 1.00 0.00 C ATOM 355 CD GLU A 28 149.788 -6.792 -6.326 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.789 -5.637 -5.852 1.00 0.00 O ATOM 357 OE2 GLU A 28 150.652 -7.648 -6.044 1.00 0.00 O ATOM 0 H GLU A 28 144.886 -7.450 -6.040 1.00 0.00 H new ATOM 0 HA GLU A 28 146.490 -7.530 -8.514 1.00 0.00 H new ATOM 0 HB2 GLU A 28 147.118 -6.910 -5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.669 -8.565 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 28 149.046 -7.955 -7.963 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.435 -6.313 -7.914 1.00 0.00 H new ATOM 364 N ASN A 29 147.178 -10.153 -7.996 1.00 0.00 N ATOM 365 CA ASN A 29 147.139 -11.601 -8.170 1.00 0.00 C ATOM 366 C ASN A 29 146.933 -12.302 -6.830 1.00 0.00 C ATOM 367 O ASN A 29 145.965 -13.040 -6.648 1.00 0.00 O ATOM 368 CB ASN A 29 148.429 -12.092 -8.830 1.00 0.00 C ATOM 369 CG ASN A 29 148.271 -12.304 -10.322 1.00 0.00 C ATOM 370 OD1 ASN A 29 148.150 -13.436 -10.791 1.00 0.00 O ATOM 371 ND2 ASN A 29 148.269 -11.212 -11.078 1.00 0.00 N ATOM 0 H ASN A 29 148.100 -9.736 -8.128 1.00 0.00 H new ATOM 0 HA ASN A 29 146.297 -11.844 -8.818 1.00 0.00 H new ATOM 0 HB2 ASN A 29 149.224 -11.368 -8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.739 -13.027 -8.364 1.00 0.00 H new ATOM 0 HD21 ASN A 29 148.164 -11.292 -12.089 1.00 0.00 H new ATOM 0 HD22 ASN A 29 148.372 -10.293 -10.647 1.00 0.00 H new ATOM 378 N PRO A 30 147.846 -12.079 -5.868 1.00 0.00 N ATOM 379 CA PRO A 30 147.762 -12.691 -4.541 1.00 0.00 C ATOM 380 C PRO A 30 146.760 -11.975 -3.636 1.00 0.00 C ATOM 381 O PRO A 30 146.982 -10.833 -3.235 1.00 0.00 O ATOM 382 CB PRO A 30 149.180 -12.526 -3.999 1.00 0.00 C ATOM 383 CG PRO A 30 149.681 -11.277 -4.640 1.00 0.00 C ATOM 384 CD PRO A 30 149.034 -11.211 -6.000 1.00 0.00 C ATOM 0 HA PRO A 30 147.419 -13.725 -4.583 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.182 -12.443 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.805 -13.382 -4.255 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.422 -10.403 -4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.767 -11.293 -4.727 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.756 -10.190 -6.262 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.706 -11.568 -6.780 1.00 0.00 H new ATOM 392 N PRO A 31 145.636 -12.636 -3.300 1.00 0.00 N ATOM 393 CA PRO A 31 144.604 -12.048 -2.439 1.00 0.00 C ATOM 394 C PRO A 31 145.149 -11.661 -1.068 1.00 0.00 C ATOM 395 O PRO A 31 145.121 -12.457 -0.130 1.00 0.00 O ATOM 396 CB PRO A 31 143.561 -13.163 -2.302 1.00 0.00 C ATOM 397 CG PRO A 31 143.805 -14.066 -3.462 1.00 0.00 C ATOM 398 CD PRO A 31 145.281 -14.000 -3.729 1.00 0.00 C ATOM 0 HA PRO A 31 144.203 -11.127 -2.862 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.674 -13.695 -1.357 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.548 -12.760 -2.322 1.00 0.00 H new ATOM 0 HG2 PRO A 31 143.494 -15.086 -3.236 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.235 -13.745 -4.334 1.00 0.00 H new ATOM 0 HD2 PRO A 31 145.827 -14.755 -3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 31 145.508 -14.163 -4.782 1.00 0.00 H new ATOM 406 N PHE A 32 145.645 -10.432 -0.960 1.00 0.00 N ATOM 407 CA PHE A 32 146.196 -9.939 0.298 1.00 0.00 C ATOM 408 C PHE A 32 145.290 -8.877 0.910 1.00 0.00 C ATOM 409 O PHE A 32 144.361 -8.391 0.263 1.00 0.00 O ATOM 410 CB PHE A 32 147.596 -9.363 0.074 1.00 0.00 C ATOM 411 CG PHE A 32 147.655 -8.335 -1.019 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.052 -7.098 -0.857 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.313 -8.606 -2.208 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.105 -6.150 -1.861 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.368 -7.662 -3.216 1.00 0.00 C ATOM 416 CZ PHE A 32 147.764 -6.432 -3.043 1.00 0.00 C ATOM 0 H PHE A 32 145.677 -9.760 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 32 146.261 -10.778 0.991 1.00 0.00 H new ATOM 0 HB2 PHE A 32 147.948 -8.914 1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.280 -10.177 -0.166 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.535 -6.872 0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 32 148.788 -9.566 -2.349 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.632 -5.189 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.883 -7.886 -4.138 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.806 -5.693 -3.829 1.00 0.00 H new ATOM 426 N TYR A 33 145.564 -8.520 2.160 1.00 0.00 N ATOM 427 CA TYR A 33 144.772 -7.516 2.860 1.00 0.00 C ATOM 428 C TYR A 33 145.668 -6.578 3.662 1.00 0.00 C ATOM 429 O TYR A 33 146.300 -6.990 4.636 1.00 0.00 O ATOM 430 CB TYR A 33 143.758 -8.189 3.787 1.00 0.00 C ATOM 431 CG TYR A 33 142.506 -8.653 3.078 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.622 -7.739 2.518 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.207 -10.006 2.968 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.476 -8.159 1.869 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.063 -10.434 2.321 1.00 0.00 C ATOM 436 CZ TYR A 33 140.202 -9.507 1.774 1.00 0.00 C ATOM 437 OH TYR A 33 139.063 -9.929 1.128 1.00 0.00 O ATOM 0 H TYR A 33 146.329 -8.911 2.709 1.00 0.00 H new ATOM 0 HA TYR A 33 144.237 -6.928 2.114 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.231 -9.045 4.269 1.00 0.00 H new ATOM 0 HB3 TYR A 33 143.481 -7.491 4.577 1.00 0.00 H new ATOM 0 HD1 TYR A 33 141.834 -6.682 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.880 -10.735 3.395 1.00 0.00 H new ATOM 0 HE1 TYR A 33 139.799 -7.436 1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.845 -11.489 2.244 1.00 0.00 H new ATOM 0 HH TYR A 33 139.019 -10.908 1.148 1.00 0.00 H new ATOM 447 N GLY A 34 145.718 -5.317 3.249 1.00 0.00 N ATOM 448 CA GLY A 34 146.539 -4.340 3.940 1.00 0.00 C ATOM 449 C GLY A 34 145.736 -3.149 4.428 1.00 0.00 C ATOM 450 O GLY A 34 144.535 -3.056 4.177 1.00 0.00 O ATOM 0 H GLY A 34 145.204 -4.953 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.029 -4.817 4.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.327 -3.994 3.271 1.00 0.00 H new ATOM 454 N VAL A 35 146.402 -2.237 5.128 1.00 0.00 N ATOM 455 CA VAL A 35 145.745 -1.046 5.652 1.00 0.00 C ATOM 456 C VAL A 35 146.403 0.224 5.120 1.00 0.00 C ATOM 457 O VAL A 35 147.618 0.274 4.935 1.00 0.00 O ATOM 458 CB VAL A 35 145.772 -1.023 7.194 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.205 -0.993 7.705 1.00 0.00 C ATOM 460 CG2 VAL A 35 144.983 0.162 7.727 1.00 0.00 C ATOM 0 H VAL A 35 147.397 -2.300 5.345 1.00 0.00 H new ATOM 0 HA VAL A 35 144.709 -1.081 5.316 1.00 0.00 H new ATOM 0 HB VAL A 35 145.301 -1.936 7.559 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.202 -0.977 8.795 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.734 -1.880 7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.706 -0.101 7.330 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.015 0.160 8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.420 1.088 7.353 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.948 0.089 7.394 1.00 0.00 H new ATOM 470 N ILE A 36 145.591 1.248 4.876 1.00 0.00 N ATOM 471 CA ILE A 36 146.096 2.517 4.365 1.00 0.00 C ATOM 472 C ILE A 36 147.061 3.159 5.356 1.00 0.00 C ATOM 473 O ILE A 36 146.812 3.173 6.562 1.00 0.00 O ATOM 474 CB ILE A 36 144.948 3.503 4.069 1.00 0.00 C ATOM 475 CG1 ILE A 36 143.892 2.840 3.183 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.488 4.763 3.406 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.739 3.756 2.826 1.00 0.00 C ATOM 0 H ILE A 36 144.582 1.224 5.024 1.00 0.00 H new ATOM 0 HA ILE A 36 146.622 2.298 3.436 1.00 0.00 H new ATOM 0 HB ILE A 36 144.479 3.784 5.012 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.366 2.492 2.265 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.501 1.960 3.694 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.665 5.449 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.206 5.244 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 36 145.979 4.499 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.029 3.219 2.197 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.240 4.084 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.118 4.624 2.287 1.00 0.00 H new ATOM 489 N ARG A 37 148.167 3.687 4.840 1.00 0.00 N ATOM 490 CA ARG A 37 149.172 4.328 5.679 1.00 0.00 C ATOM 491 C ARG A 37 149.440 5.757 5.214 1.00 0.00 C ATOM 492 O ARG A 37 149.255 6.711 5.969 1.00 0.00 O ATOM 493 CB ARG A 37 150.471 3.521 5.662 1.00 0.00 C ATOM 494 CG ARG A 37 150.268 2.038 5.926 1.00 0.00 C ATOM 495 CD ARG A 37 149.643 1.795 7.290 1.00 0.00 C ATOM 496 NE ARG A 37 150.560 2.125 8.379 1.00 0.00 N ATOM 497 CZ ARG A 37 150.200 2.184 9.659 1.00 0.00 C ATOM 498 NH1 ARG A 37 148.945 1.938 10.015 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.097 2.492 10.585 1.00 0.00 N ATOM 0 H ARG A 37 148.389 3.683 3.845 1.00 0.00 H new ATOM 0 HA ARG A 37 148.788 4.364 6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 37 150.954 3.646 4.693 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.150 3.926 6.412 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.629 1.614 5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.226 1.522 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 37 148.737 2.393 7.385 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.345 0.750 7.371 1.00 0.00 H new ATOM 0 HE ARG A 37 151.533 2.322 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 37 148.251 1.702 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 37 148.675 1.985 10.998 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.062 2.684 10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 37 150.822 2.537 11.566 1.00 0.00 H new ATOM 513 N TRP A 38 149.880 5.895 3.966 1.00 0.00 N ATOM 514 CA TRP A 38 150.174 7.208 3.403 1.00 0.00 C ATOM 515 C TRP A 38 149.462 7.403 2.068 1.00 0.00 C ATOM 516 O TRP A 38 149.486 6.526 1.205 1.00 0.00 O ATOM 517 CB TRP A 38 151.686 7.384 3.223 1.00 0.00 C ATOM 518 CG TRP A 38 152.057 8.601 2.427 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.293 9.857 2.909 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.228 8.678 1.007 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.601 10.709 1.874 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.568 10.008 0.698 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.128 7.749 -0.033 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.807 10.431 -0.608 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.366 8.170 -1.328 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.702 9.500 -1.606 1.00 0.00 C ATOM 0 H TRP A 38 150.040 5.116 3.328 1.00 0.00 H new ATOM 0 HA TRP A 38 149.809 7.963 4.099 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.156 7.445 4.205 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.090 6.500 2.730 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.245 10.140 3.950 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.819 11.701 1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.869 6.721 0.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.066 11.457 -0.825 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.291 7.461 -2.139 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.882 9.798 -2.628 1.00 0.00 H new ATOM 537 N ILE A 39 148.840 8.565 1.903 1.00 0.00 N ATOM 538 CA ILE A 39 148.129 8.888 0.673 1.00 0.00 C ATOM 539 C ILE A 39 148.644 10.196 0.083 1.00 0.00 C ATOM 540 O ILE A 39 148.356 11.276 0.600 1.00 0.00 O ATOM 541 CB ILE A 39 146.612 9.006 0.912 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.098 7.788 1.681 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.876 9.153 -0.412 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.744 8.003 2.321 1.00 0.00 C ATOM 0 H ILE A 39 148.814 9.301 2.609 1.00 0.00 H new ATOM 0 HA ILE A 39 148.311 8.073 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 39 146.422 9.897 1.511 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.038 6.938 1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.819 7.527 2.455 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.805 9.235 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.225 10.049 -0.925 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.070 8.280 -1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.443 7.098 2.849 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.802 8.832 3.026 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.009 8.234 1.550 1.00 0.00 H new ATOM 556 N GLY A 40 149.411 10.094 -0.997 1.00 0.00 N ATOM 557 CA GLY A 40 149.957 11.280 -1.629 1.00 0.00 C ATOM 558 C GLY A 40 150.521 11.002 -3.007 1.00 0.00 C ATOM 559 O GLY A 40 150.356 9.909 -3.548 1.00 0.00 O ATOM 0 H GLY A 40 149.664 9.213 -1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.177 12.037 -1.706 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.742 11.695 -0.997 1.00 0.00 H new ATOM 563 N GLN A 41 151.189 12.000 -3.577 1.00 0.00 N ATOM 564 CA GLN A 41 151.781 11.871 -4.901 1.00 0.00 C ATOM 565 C GLN A 41 153.254 12.277 -4.876 1.00 0.00 C ATOM 566 O GLN A 41 153.579 13.436 -4.618 1.00 0.00 O ATOM 567 CB GLN A 41 151.014 12.736 -5.900 1.00 0.00 C ATOM 568 CG GLN A 41 149.507 12.549 -5.832 1.00 0.00 C ATOM 569 CD GLN A 41 148.751 13.854 -5.985 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.150 14.054 -7.151 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.708 14.671 -5.065 1.00 0.00 N flip ATOM 0 H GLN A 41 151.333 12.910 -3.139 1.00 0.00 H new ATOM 0 HA GLN A 41 151.718 10.827 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.251 13.784 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.356 12.503 -6.908 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.194 11.858 -6.615 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.244 12.090 -4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 41 149.186 14.474 -4.185 1.00 0.00 H new ATOM 0 HE22 GLN A 41 148.195 15.545 -5.182 1.00 0.00 H new ATOM 580 N PRO A 42 154.170 11.328 -5.143 1.00 0.00 N ATOM 581 CA PRO A 42 155.611 11.603 -5.144 1.00 0.00 C ATOM 582 C PRO A 42 155.990 12.708 -6.124 1.00 0.00 C ATOM 583 O PRO A 42 155.242 13.007 -7.055 1.00 0.00 O ATOM 584 CB PRO A 42 156.234 10.270 -5.576 1.00 0.00 C ATOM 585 CG PRO A 42 155.205 9.245 -5.250 1.00 0.00 C ATOM 586 CD PRO A 42 153.880 9.918 -5.459 1.00 0.00 C ATOM 0 HA PRO A 42 155.956 11.953 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.469 10.270 -6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.166 10.078 -5.044 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.306 8.371 -5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.310 8.898 -4.222 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.524 9.799 -6.482 1.00 0.00 H new ATOM 0 HD3 PRO A 42 153.111 9.508 -4.804 1.00 0.00 H new ATOM 594 N PRO A 43 157.164 13.333 -5.927 1.00 0.00 N ATOM 595 CA PRO A 43 157.639 14.410 -6.798 1.00 0.00 C ATOM 596 C PRO A 43 158.084 13.898 -8.162 1.00 0.00 C ATOM 597 O PRO A 43 159.259 13.598 -8.370 1.00 0.00 O ATOM 598 CB PRO A 43 158.831 14.985 -6.032 1.00 0.00 C ATOM 599 CG PRO A 43 159.327 13.854 -5.201 1.00 0.00 C ATOM 600 CD PRO A 43 158.115 13.037 -4.839 1.00 0.00 C ATOM 0 HA PRO A 43 156.856 15.139 -7.008 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.603 15.345 -6.712 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.533 15.831 -5.412 1.00 0.00 H new ATOM 0 HG2 PRO A 43 160.051 13.254 -5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.831 14.220 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.348 11.973 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.714 13.323 -3.866 1.00 0.00 H new ATOM 608 N GLY A 44 157.137 13.799 -9.088 1.00 0.00 N ATOM 609 CA GLY A 44 157.455 13.321 -10.420 1.00 0.00 C ATOM 610 C GLY A 44 156.242 12.780 -11.148 1.00 0.00 C ATOM 611 O GLY A 44 155.976 13.154 -12.290 1.00 0.00 O ATOM 0 H GLY A 44 156.157 14.041 -8.941 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.890 14.135 -11.000 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.212 12.539 -10.351 1.00 0.00 H new ATOM 615 N LEU A 45 155.501 11.897 -10.485 1.00 0.00 N ATOM 616 CA LEU A 45 154.309 11.306 -11.079 1.00 0.00 C ATOM 617 C LEU A 45 153.078 11.600 -10.230 1.00 0.00 C ATOM 618 O LEU A 45 152.951 11.097 -9.114 1.00 0.00 O ATOM 619 CB LEU A 45 154.485 9.794 -11.233 1.00 0.00 C ATOM 620 CG LEU A 45 155.017 9.076 -9.993 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.677 7.593 -10.044 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.521 9.282 -9.864 1.00 0.00 C ATOM 0 H LEU A 45 155.705 11.576 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 45 154.166 11.750 -12.064 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.524 9.357 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 45 155.165 9.605 -12.064 1.00 0.00 H new ATOM 0 HG LEU A 45 154.536 9.503 -9.113 1.00 0.00 H new ATOM 0 HD11 LEU A 45 155.064 7.100 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.595 7.469 -10.086 1.00 0.00 H new ATOM 0 HD13 LEU A 45 155.128 7.147 -10.930 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.884 8.765 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU A 45 157.020 8.882 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.736 10.347 -9.777 1.00 0.00 H new ATOM 634 N ASN A 46 152.171 12.413 -10.762 1.00 0.00 N ATOM 635 CA ASN A 46 150.957 12.758 -10.038 1.00 0.00 C ATOM 636 C ASN A 46 149.995 11.576 -10.017 1.00 0.00 C ATOM 637 O ASN A 46 149.389 11.234 -11.033 1.00 0.00 O ATOM 638 CB ASN A 46 150.283 13.971 -10.685 1.00 0.00 C ATOM 639 CG ASN A 46 149.129 14.503 -9.860 1.00 0.00 C ATOM 640 OD1 ASN A 46 149.303 15.398 -9.032 1.00 0.00 O ATOM 641 ND2 ASN A 46 147.939 13.956 -10.083 1.00 0.00 N ATOM 0 H ASN A 46 152.254 12.841 -11.684 1.00 0.00 H new ATOM 0 HA ASN A 46 151.225 13.008 -9.011 1.00 0.00 H new ATOM 0 HB2 ASN A 46 151.021 14.761 -10.824 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.921 13.696 -11.675 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.125 14.275 -9.559 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.840 13.217 -10.779 1.00 0.00 H new ATOM 648 N GLU A 47 149.861 10.955 -8.851 1.00 0.00 N ATOM 649 CA GLU A 47 148.975 9.809 -8.688 1.00 0.00 C ATOM 650 C GLU A 47 148.762 9.496 -7.211 1.00 0.00 C ATOM 651 O GLU A 47 149.716 9.219 -6.485 1.00 0.00 O ATOM 652 CB GLU A 47 149.547 8.583 -9.406 1.00 0.00 C ATOM 653 CG GLU A 47 151.060 8.458 -9.295 1.00 0.00 C ATOM 654 CD GLU A 47 151.638 7.490 -10.309 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.808 7.889 -11.480 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.922 6.334 -9.932 1.00 0.00 O ATOM 0 H GLU A 47 150.356 11.227 -8.002 1.00 0.00 H new ATOM 0 HA GLU A 47 148.012 10.060 -9.132 1.00 0.00 H new ATOM 0 HB2 GLU A 47 149.086 7.685 -8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.272 8.629 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.514 9.439 -9.434 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.321 8.126 -8.290 1.00 0.00 H new ATOM 663 N VAL A 48 147.509 9.531 -6.773 1.00 0.00 N ATOM 664 CA VAL A 48 147.186 9.241 -5.382 1.00 0.00 C ATOM 665 C VAL A 48 147.515 7.792 -5.045 1.00 0.00 C ATOM 666 O VAL A 48 146.778 6.877 -5.410 1.00 0.00 O ATOM 667 CB VAL A 48 145.699 9.505 -5.081 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.426 9.387 -3.590 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.284 10.873 -5.601 1.00 0.00 C ATOM 0 H VAL A 48 146.704 9.756 -7.358 1.00 0.00 H new ATOM 0 HA VAL A 48 147.791 9.906 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 48 145.104 8.751 -5.595 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.370 9.577 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.682 8.383 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 48 146.030 10.116 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.230 11.042 -5.379 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.885 11.644 -5.118 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.439 10.915 -6.679 1.00 0.00 H new ATOM 679 N LEU A 49 148.629 7.589 -4.349 1.00 0.00 N ATOM 680 CA LEU A 49 149.057 6.249 -3.967 1.00 0.00 C ATOM 681 C LEU A 49 148.869 6.026 -2.472 1.00 0.00 C ATOM 682 O LEU A 49 149.509 6.684 -1.651 1.00 0.00 O ATOM 683 CB LEU A 49 150.523 6.031 -4.347 1.00 0.00 C ATOM 684 CG LEU A 49 150.819 6.092 -5.846 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.276 6.456 -6.088 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.482 4.765 -6.509 1.00 0.00 C ATOM 0 H LEU A 49 149.251 8.335 -4.038 1.00 0.00 H new ATOM 0 HA LEU A 49 148.439 5.529 -4.505 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.129 6.783 -3.842 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.840 5.059 -3.969 1.00 0.00 H new ATOM 0 HG LEU A 49 150.194 6.867 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.468 6.495 -7.160 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.486 7.430 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.920 5.704 -5.631 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.699 4.826 -7.576 1.00 0.00 H new ATOM 0 HD22 LEU A 49 151.081 3.972 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.424 4.545 -6.366 1.00 0.00 H new ATOM 698 N ALA A 50 147.987 5.096 -2.125 1.00 0.00 N ATOM 699 CA ALA A 50 147.717 4.789 -0.728 1.00 0.00 C ATOM 700 C ALA A 50 148.598 3.644 -0.237 1.00 0.00 C ATOM 701 O ALA A 50 148.479 2.512 -0.706 1.00 0.00 O ATOM 702 CB ALA A 50 146.247 4.448 -0.537 1.00 0.00 C ATOM 0 H ALA A 50 147.448 4.543 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 50 147.953 5.673 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.060 4.221 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.634 5.297 -0.839 1.00 0.00 H new ATOM 0 HB3 ALA A 50 145.992 3.581 -1.147 1.00 0.00 H new ATOM 708 N GLY A 51 149.481 3.945 0.709 1.00 0.00 N ATOM 709 CA GLY A 51 150.367 2.930 1.246 1.00 0.00 C ATOM 710 C GLY A 51 149.616 1.834 1.976 1.00 0.00 C ATOM 711 O GLY A 51 148.873 2.103 2.919 1.00 0.00 O ATOM 0 H GLY A 51 149.599 4.874 1.113 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.946 2.491 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.078 3.396 1.928 1.00 0.00 H new ATOM 715 N LEU A 52 149.809 0.594 1.540 1.00 0.00 N ATOM 716 CA LEU A 52 149.144 -0.547 2.159 1.00 0.00 C ATOM 717 C LEU A 52 150.156 -1.473 2.823 1.00 0.00 C ATOM 718 O LEU A 52 151.152 -1.862 2.211 1.00 0.00 O ATOM 719 CB LEU A 52 148.334 -1.320 1.116 1.00 0.00 C ATOM 720 CG LEU A 52 147.158 -0.552 0.509 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.691 -1.219 -0.775 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.015 -0.455 1.508 1.00 0.00 C ATOM 0 H LEU A 52 150.421 0.353 0.760 1.00 0.00 H new ATOM 0 HA LEU A 52 148.468 -0.169 2.926 1.00 0.00 H new ATOM 0 HB2 LEU A 52 149.003 -1.625 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.954 -2.232 1.577 1.00 0.00 H new ATOM 0 HG LEU A 52 147.492 0.457 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.854 -0.659 -1.192 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.510 -1.237 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.374 -2.239 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.186 0.094 1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.682 -1.457 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.356 0.068 2.402 1.00 0.00 H new ATOM 734 N GLU A 53 149.896 -1.824 4.078 1.00 0.00 N ATOM 735 CA GLU A 53 150.785 -2.704 4.826 1.00 0.00 C ATOM 736 C GLU A 53 150.228 -4.123 4.878 1.00 0.00 C ATOM 737 O GLU A 53 149.272 -4.398 5.604 1.00 0.00 O ATOM 738 CB GLU A 53 150.991 -2.171 6.245 1.00 0.00 C ATOM 739 CG GLU A 53 151.929 -3.022 7.085 1.00 0.00 C ATOM 740 CD GLU A 53 151.460 -3.163 8.521 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.529 -3.960 8.765 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.022 -2.475 9.399 1.00 0.00 O ATOM 0 H GLU A 53 149.076 -1.512 4.598 1.00 0.00 H new ATOM 0 HA GLU A 53 151.746 -2.729 4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.386 -1.157 6.189 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.024 -2.109 6.745 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.016 -4.012 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.925 -2.578 7.074 1.00 0.00 H new ATOM 749 N LEU A 54 150.831 -5.020 4.106 1.00 0.00 N ATOM 750 CA LEU A 54 150.395 -6.411 4.066 1.00 0.00 C ATOM 751 C LEU A 54 150.670 -7.106 5.395 1.00 0.00 C ATOM 752 O LEU A 54 151.717 -6.900 6.009 1.00 0.00 O ATOM 753 CB LEU A 54 151.101 -7.155 2.930 1.00 0.00 C ATOM 754 CG LEU A 54 151.009 -6.482 1.560 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.142 -6.950 0.659 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.661 -6.766 0.916 1.00 0.00 C ATOM 0 H LEU A 54 151.623 -4.809 3.499 1.00 0.00 H new ATOM 0 HA LEU A 54 149.320 -6.425 3.887 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.153 -7.271 3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.679 -8.157 2.855 1.00 0.00 H new ATOM 0 HG LEU A 54 151.103 -5.405 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.061 -6.461 -0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.099 -6.695 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.080 -8.030 0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.613 -6.279 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.537 -7.842 0.791 1.00 0.00 H new ATOM 0 HD23 LEU A 54 148.865 -6.381 1.553 1.00 0.00 H new ATOM 768 N GLU A 55 149.724 -7.930 5.832 1.00 0.00 N ATOM 769 CA GLU A 55 149.864 -8.657 7.089 1.00 0.00 C ATOM 770 C GLU A 55 150.994 -9.678 7.005 1.00 0.00 C ATOM 771 O GLU A 55 151.789 -9.818 7.934 1.00 0.00 O ATOM 772 CB GLU A 55 148.553 -9.359 7.446 1.00 0.00 C ATOM 773 CG GLU A 55 147.334 -8.455 7.347 1.00 0.00 C ATOM 774 CD GLU A 55 146.084 -9.100 7.915 1.00 0.00 C ATOM 775 OE1 GLU A 55 145.960 -10.339 7.820 1.00 0.00 O ATOM 776 OE2 GLU A 55 145.229 -8.364 8.452 1.00 0.00 O ATOM 0 H GLU A 55 148.852 -8.111 5.335 1.00 0.00 H new ATOM 0 HA GLU A 55 150.107 -7.937 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.416 -10.214 6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.624 -9.750 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.532 -7.524 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.162 -8.195 6.302 1.00 0.00 H new ATOM 783 N ASP A 56 151.058 -10.392 5.886 1.00 0.00 N ATOM 784 CA ASP A 56 152.090 -11.401 5.680 1.00 0.00 C ATOM 785 C ASP A 56 153.367 -10.771 5.130 1.00 0.00 C ATOM 786 O ASP A 56 153.327 -10.001 4.171 1.00 0.00 O ATOM 787 CB ASP A 56 151.590 -12.485 4.723 1.00 0.00 C ATOM 788 CG ASP A 56 150.920 -13.634 5.451 1.00 0.00 C ATOM 789 OD1 ASP A 56 151.503 -14.134 6.435 1.00 0.00 O ATOM 790 OD2 ASP A 56 149.812 -14.033 5.037 1.00 0.00 O ATOM 0 H ASP A 56 150.407 -10.290 5.108 1.00 0.00 H new ATOM 0 HA ASP A 56 152.316 -11.854 6.645 1.00 0.00 H new ATOM 0 HB2 ASP A 56 150.885 -12.046 4.017 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.429 -12.867 4.141 1.00 0.00 H new ATOM 795 N GLU A 57 154.497 -11.105 5.745 1.00 0.00 N ATOM 796 CA GLU A 57 155.785 -10.572 5.317 1.00 0.00 C ATOM 797 C GLU A 57 156.231 -11.213 4.006 1.00 0.00 C ATOM 798 O GLU A 57 156.596 -12.388 3.971 1.00 0.00 O ATOM 799 CB GLU A 57 156.843 -10.807 6.398 1.00 0.00 C ATOM 800 CG GLU A 57 156.548 -10.088 7.703 1.00 0.00 C ATOM 801 CD GLU A 57 157.377 -10.615 8.859 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.607 -10.399 8.853 1.00 0.00 O ATOM 803 OE2 GLU A 57 156.796 -11.244 9.768 1.00 0.00 O ATOM 0 H GLU A 57 154.547 -11.742 6.540 1.00 0.00 H new ATOM 0 HA GLU A 57 155.671 -9.500 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 57 156.921 -11.877 6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 57 157.813 -10.479 6.023 1.00 0.00 H new ATOM 0 HG2 GLU A 57 156.741 -9.022 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 57 155.490 -10.195 7.941 1.00 0.00 H new ATOM 810 N CYS A 58 156.196 -10.433 2.931 1.00 0.00 N ATOM 811 CA CYS A 58 156.596 -10.925 1.617 1.00 0.00 C ATOM 812 C CYS A 58 158.001 -10.450 1.263 1.00 0.00 C ATOM 813 O CYS A 58 158.351 -9.292 1.492 1.00 0.00 O ATOM 814 CB CYS A 58 155.603 -10.459 0.552 1.00 0.00 C ATOM 815 SG CYS A 58 154.230 -11.601 0.272 1.00 0.00 S ATOM 0 H CYS A 58 155.895 -9.458 2.943 1.00 0.00 H new ATOM 0 HA CYS A 58 156.599 -12.015 1.649 1.00 0.00 H new ATOM 0 HB2 CYS A 58 155.201 -9.489 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 58 156.136 -10.312 -0.387 1.00 0.00 H new ATOM 0 HG CYS A 58 153.444 -11.118 -0.644 1.00 0.00 H new ATOM 821 N ALA A 59 158.801 -11.350 0.702 1.00 0.00 N ATOM 822 CA ALA A 59 160.167 -11.022 0.315 1.00 0.00 C ATOM 823 C ALA A 59 160.187 -10.082 -0.886 1.00 0.00 C ATOM 824 O ALA A 59 159.903 -10.491 -2.012 1.00 0.00 O ATOM 825 CB ALA A 59 160.947 -12.292 0.005 1.00 0.00 C ATOM 0 H ALA A 59 158.526 -12.312 0.505 1.00 0.00 H new ATOM 0 HA ALA A 59 160.642 -10.511 1.152 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.966 -12.032 -0.283 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.971 -12.929 0.889 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.464 -12.825 -0.814 1.00 0.00 H new ATOM 831 N GLY A 60 160.524 -8.821 -0.637 1.00 0.00 N ATOM 832 CA GLY A 60 160.574 -7.842 -1.708 1.00 0.00 C ATOM 833 C GLY A 60 159.929 -6.525 -1.320 1.00 0.00 C ATOM 834 O GLY A 60 160.307 -5.469 -1.827 1.00 0.00 O ATOM 0 H GLY A 60 160.763 -8.459 0.286 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.613 -7.666 -1.987 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.071 -8.244 -2.588 1.00 0.00 H new ATOM 838 N CYS A 61 158.954 -6.589 -0.420 1.00 0.00 N ATOM 839 CA CYS A 61 158.255 -5.393 0.035 1.00 0.00 C ATOM 840 C CYS A 61 159.192 -4.483 0.823 1.00 0.00 C ATOM 841 O CYS A 61 160.303 -4.876 1.177 1.00 0.00 O ATOM 842 CB CYS A 61 157.052 -5.777 0.899 1.00 0.00 C ATOM 843 SG CYS A 61 155.952 -6.992 0.134 1.00 0.00 S ATOM 0 H CYS A 61 158.630 -7.456 0.009 1.00 0.00 H new ATOM 0 HA CYS A 61 157.904 -4.851 -0.843 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.412 -6.175 1.848 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.480 -4.878 1.127 1.00 0.00 H new ATOM 0 HG CYS A 61 154.828 -6.421 -0.183 1.00 0.00 H new ATOM 849 N THR A 62 158.734 -3.265 1.096 1.00 0.00 N ATOM 850 CA THR A 62 159.531 -2.299 1.842 1.00 0.00 C ATOM 851 C THR A 62 159.054 -2.201 3.287 1.00 0.00 C ATOM 852 O THR A 62 158.129 -2.903 3.695 1.00 0.00 O ATOM 853 CB THR A 62 159.461 -0.924 1.175 1.00 0.00 C ATOM 854 OG1 THR A 62 158.186 -0.714 0.595 1.00 0.00 O ATOM 855 CG2 THR A 62 160.497 -0.732 0.089 1.00 0.00 C ATOM 0 H THR A 62 157.816 -2.924 0.812 1.00 0.00 H new ATOM 0 HA THR A 62 160.566 -2.642 1.842 1.00 0.00 H new ATOM 0 HB THR A 62 159.657 -0.206 1.971 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.117 0.212 0.282 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.392 0.264 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.495 -0.840 0.515 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.352 -1.482 -0.689 1.00 0.00 H new ATOM 863 N ASP A 63 159.692 -1.326 4.058 1.00 0.00 N ATOM 864 CA ASP A 63 159.332 -1.135 5.458 1.00 0.00 C ATOM 865 C ASP A 63 158.683 0.228 5.672 1.00 0.00 C ATOM 866 O ASP A 63 158.810 0.827 6.741 1.00 0.00 O ATOM 867 CB ASP A 63 160.569 -1.269 6.347 1.00 0.00 C ATOM 868 CG ASP A 63 161.735 -0.442 5.843 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.506 0.712 5.422 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.877 -0.947 5.871 1.00 0.00 O ATOM 0 H ASP A 63 160.461 -0.738 3.737 1.00 0.00 H new ATOM 0 HA ASP A 63 158.612 -1.907 5.730 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.319 -0.959 7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 63 160.865 -2.317 6.397 1.00 0.00 H new ATOM 875 N GLY A 64 157.987 0.715 4.650 1.00 0.00 N ATOM 876 CA GLY A 64 157.329 2.004 4.747 1.00 0.00 C ATOM 877 C GLY A 64 158.059 3.087 3.979 1.00 0.00 C ATOM 878 O GLY A 64 158.181 4.218 4.451 1.00 0.00 O ATOM 0 H GLY A 64 157.867 0.239 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.311 1.918 4.368 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.256 2.293 5.795 1.00 0.00 H new ATOM 882 N THR A 65 158.544 2.743 2.791 1.00 0.00 N ATOM 883 CA THR A 65 159.266 3.694 1.954 1.00 0.00 C ATOM 884 C THR A 65 158.921 3.495 0.482 1.00 0.00 C ATOM 885 O THR A 65 158.995 2.381 -0.038 1.00 0.00 O ATOM 886 CB THR A 65 160.775 3.546 2.161 1.00 0.00 C ATOM 887 OG1 THR A 65 161.186 2.213 1.916 1.00 0.00 O ATOM 888 CG2 THR A 65 161.226 3.917 3.557 1.00 0.00 C ATOM 0 H THR A 65 158.450 1.812 2.386 1.00 0.00 H new ATOM 0 HA THR A 65 158.963 4.699 2.247 1.00 0.00 H new ATOM 0 HB THR A 65 161.233 4.237 1.453 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.615 1.816 1.225 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.306 3.790 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 65 160.967 4.956 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.730 3.272 4.283 1.00 0.00 H new ATOM 896 N PHE A 66 158.545 4.581 -0.185 1.00 0.00 N ATOM 897 CA PHE A 66 158.189 4.526 -1.598 1.00 0.00 C ATOM 898 C PHE A 66 159.244 5.221 -2.452 1.00 0.00 C ATOM 899 O PHE A 66 159.348 6.447 -2.453 1.00 0.00 O ATOM 900 CB PHE A 66 156.822 5.175 -1.826 1.00 0.00 C ATOM 901 CG PHE A 66 156.219 4.847 -3.162 1.00 0.00 C ATOM 902 CD1 PHE A 66 156.098 3.531 -3.579 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.771 5.856 -4.001 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.543 3.227 -4.808 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.215 5.557 -5.231 1.00 0.00 C ATOM 906 CZ PHE A 66 155.101 4.241 -5.635 1.00 0.00 C ATOM 0 H PHE A 66 158.479 5.510 0.230 1.00 0.00 H new ATOM 0 HA PHE A 66 158.140 3.478 -1.895 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.140 4.853 -1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.923 6.257 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.441 2.734 -2.936 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.857 6.887 -3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.455 2.197 -5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.870 6.352 -5.876 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.667 4.005 -6.596 1.00 0.00 H new ATOM 916 N ARG A 67 160.023 4.428 -3.181 1.00 0.00 N ATOM 917 CA ARG A 67 161.070 4.967 -4.042 1.00 0.00 C ATOM 918 C ARG A 67 162.093 5.754 -3.228 1.00 0.00 C ATOM 919 O ARG A 67 162.571 6.803 -3.660 1.00 0.00 O ATOM 920 CB ARG A 67 160.460 5.864 -5.121 1.00 0.00 C ATOM 921 CG ARG A 67 159.253 5.250 -5.812 1.00 0.00 C ATOM 922 CD ARG A 67 158.944 5.953 -7.123 1.00 0.00 C ATOM 923 NE ARG A 67 157.578 5.696 -7.573 1.00 0.00 N ATOM 924 CZ ARG A 67 157.193 4.569 -8.167 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.066 3.594 -8.385 1.00 0.00 N ATOM 926 NH2 ARG A 67 155.931 4.416 -8.545 1.00 0.00 N ATOM 0 H ARG A 67 159.949 3.411 -3.193 1.00 0.00 H new ATOM 0 HA ARG A 67 161.579 4.130 -4.520 1.00 0.00 H new ATOM 0 HB2 ARG A 67 160.167 6.812 -4.670 1.00 0.00 H new ATOM 0 HB3 ARG A 67 161.221 6.088 -5.868 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.439 4.193 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.386 5.309 -5.153 1.00 0.00 H new ATOM 0 HD2 ARG A 67 159.090 7.026 -7.002 1.00 0.00 H new ATOM 0 HD3 ARG A 67 159.646 5.620 -7.887 1.00 0.00 H new ATOM 0 HE ARG A 67 156.878 6.423 -7.423 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.038 3.706 -8.097 1.00 0.00 H new ATOM 0 HH12 ARG A 67 157.765 2.732 -8.841 1.00 0.00 H new ATOM 0 HH21 ARG A 67 155.255 5.162 -8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 67 155.636 3.552 -9.000 1.00 0.00 H new ATOM 940 N GLY A 68 162.423 5.240 -2.048 1.00 0.00 N ATOM 941 CA GLY A 68 163.387 5.909 -1.192 1.00 0.00 C ATOM 942 C GLY A 68 162.806 7.129 -0.505 1.00 0.00 C ATOM 943 O GLY A 68 163.530 8.071 -0.184 1.00 0.00 O ATOM 0 H GLY A 68 162.041 4.373 -1.669 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.746 5.208 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.250 6.208 -1.787 1.00 0.00 H new ATOM 947 N THR A 69 161.497 7.111 -0.279 1.00 0.00 N ATOM 948 CA THR A 69 160.818 8.224 0.375 1.00 0.00 C ATOM 949 C THR A 69 159.927 7.727 1.509 1.00 0.00 C ATOM 950 O THR A 69 158.778 7.344 1.285 1.00 0.00 O ATOM 951 CB THR A 69 159.985 9.007 -0.640 1.00 0.00 C ATOM 952 OG1 THR A 69 160.757 9.328 -1.783 1.00 0.00 O ATOM 953 CG2 THR A 69 159.427 10.300 -0.085 1.00 0.00 C ATOM 0 H THR A 69 160.885 6.338 -0.539 1.00 0.00 H new ATOM 0 HA THR A 69 161.577 8.883 0.797 1.00 0.00 H new ATOM 0 HB THR A 69 159.153 8.351 -0.898 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.205 9.827 -2.421 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.846 10.806 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.785 10.082 0.769 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.247 10.944 0.233 1.00 0.00 H new ATOM 961 N ARG A 70 160.463 7.737 2.725 1.00 0.00 N ATOM 962 CA ARG A 70 159.714 7.288 3.893 1.00 0.00 C ATOM 963 C ARG A 70 158.456 8.127 4.089 1.00 0.00 C ATOM 964 O ARG A 70 158.505 9.357 4.042 1.00 0.00 O ATOM 965 CB ARG A 70 160.591 7.360 5.145 1.00 0.00 C ATOM 966 CG ARG A 70 159.921 6.798 6.388 1.00 0.00 C ATOM 967 CD ARG A 70 160.262 7.616 7.624 1.00 0.00 C ATOM 968 NE ARG A 70 161.583 7.285 8.153 1.00 0.00 N ATOM 969 CZ ARG A 70 161.985 7.587 9.384 1.00 0.00 C ATOM 970 NH1 ARG A 70 161.174 8.226 10.218 1.00 0.00 N ATOM 971 NH2 ARG A 70 163.204 7.249 9.785 1.00 0.00 N ATOM 0 H ARG A 70 161.412 8.051 2.927 1.00 0.00 H new ATOM 0 HA ARG A 70 159.415 6.253 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.517 6.814 4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 70 160.865 8.399 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.840 6.785 6.246 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.235 5.765 6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.226 8.677 7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.510 7.441 8.393 1.00 0.00 H new ATOM 0 HE ARG A 70 162.235 6.793 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 70 160.236 8.489 9.916 1.00 0.00 H new ATOM 0 HH12 ARG A 70 161.489 8.454 11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 70 163.832 6.758 9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 70 163.513 7.480 10.729 1.00 0.00 H new ATOM 985 N TYR A 71 157.331 7.456 4.312 1.00 0.00 N ATOM 986 CA TYR A 71 156.060 8.139 4.517 1.00 0.00 C ATOM 987 C TYR A 71 155.495 7.835 5.900 1.00 0.00 C ATOM 988 O TYR A 71 154.967 8.719 6.574 1.00 0.00 O ATOM 989 CB TYR A 71 155.055 7.724 3.441 1.00 0.00 C ATOM 990 CG TYR A 71 155.279 8.403 2.108 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.468 9.777 2.029 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.301 7.670 0.928 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.673 10.400 0.813 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.505 8.285 -0.292 1.00 0.00 C ATOM 995 CZ TYR A 71 155.691 9.650 -0.344 1.00 0.00 C ATOM 996 OH TYR A 71 155.894 10.268 -1.557 1.00 0.00 O ATOM 0 H TYR A 71 157.274 6.439 4.355 1.00 0.00 H new ATOM 0 HA TYR A 71 156.238 9.212 4.445 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.109 6.644 3.303 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.048 7.951 3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.454 10.368 2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.156 6.600 0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.818 11.469 0.769 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.519 7.700 -1.200 1.00 0.00 H new ATOM 0 HH TYR A 71 155.035 10.379 -2.016 1.00 0.00 H new ATOM 1006 N PHE A 72 155.611 6.579 6.318 1.00 0.00 N ATOM 1007 CA PHE A 72 155.112 6.157 7.621 1.00 0.00 C ATOM 1008 C PHE A 72 156.066 5.160 8.272 1.00 0.00 C ATOM 1009 O PHE A 72 157.112 4.833 7.714 1.00 0.00 O ATOM 1010 CB PHE A 72 153.722 5.534 7.482 1.00 0.00 C ATOM 1011 CG PHE A 72 153.649 4.455 6.439 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.438 4.775 5.107 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.791 3.123 6.790 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.372 3.785 4.145 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.725 2.128 5.833 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.514 2.459 4.509 1.00 0.00 C ATOM 0 H PHE A 72 156.047 5.835 5.773 1.00 0.00 H new ATOM 0 HA PHE A 72 155.045 7.038 8.259 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.421 5.119 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.005 6.317 7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.324 5.809 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 72 153.955 2.858 7.824 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.210 4.047 3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.838 1.093 6.120 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.460 1.683 3.759 1.00 0.00 H new ATOM 1026 N THR A 73 155.696 4.680 9.455 1.00 0.00 N ATOM 1027 CA THR A 73 156.517 3.720 10.183 1.00 0.00 C ATOM 1028 C THR A 73 155.799 2.383 10.319 1.00 0.00 C ATOM 1029 O THR A 73 154.786 2.279 11.012 1.00 0.00 O ATOM 1030 CB THR A 73 156.871 4.267 11.568 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.291 5.617 11.483 1.00 0.00 O ATOM 1032 CG2 THR A 73 157.970 3.486 12.256 1.00 0.00 C ATOM 0 H THR A 73 154.832 4.941 9.930 1.00 0.00 H new ATOM 0 HA THR A 73 157.435 3.562 9.617 1.00 0.00 H new ATOM 0 HB THR A 73 155.958 4.175 12.157 1.00 0.00 H new ATOM 0 HG1 THR A 73 157.511 5.948 12.379 1.00 0.00 H new ATOM 0 HG21 THR A 73 158.172 3.926 13.233 1.00 0.00 H new ATOM 0 HG22 THR A 73 157.656 2.450 12.383 1.00 0.00 H new ATOM 0 HG23 THR A 73 158.875 3.519 11.649 1.00 0.00 H new ATOM 1040 N CYS A 74 156.329 1.361 9.655 1.00 0.00 N ATOM 1041 CA CYS A 74 155.737 0.029 9.702 1.00 0.00 C ATOM 1042 C CYS A 74 156.817 -1.040 9.840 1.00 0.00 C ATOM 1043 O CYS A 74 158.004 -0.730 9.941 1.00 0.00 O ATOM 1044 CB CYS A 74 154.907 -0.228 8.444 1.00 0.00 C ATOM 1045 SG CYS A 74 153.174 0.266 8.590 1.00 0.00 S ATOM 0 H CYS A 74 157.167 1.430 9.078 1.00 0.00 H new ATOM 0 HA CYS A 74 155.086 -0.022 10.574 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.357 0.308 7.609 1.00 0.00 H new ATOM 0 HB3 CYS A 74 154.952 -1.290 8.203 1.00 0.00 H new ATOM 0 HG CYS A 74 152.903 1.168 7.694 1.00 0.00 H new ATOM 1051 N ALA A 75 156.395 -2.300 9.846 1.00 0.00 N ATOM 1052 CA ALA A 75 157.325 -3.416 9.972 1.00 0.00 C ATOM 1053 C ALA A 75 158.145 -3.594 8.699 1.00 0.00 C ATOM 1054 O ALA A 75 158.032 -2.806 7.760 1.00 0.00 O ATOM 1055 CB ALA A 75 156.570 -4.697 10.298 1.00 0.00 C ATOM 0 H ALA A 75 155.416 -2.574 9.765 1.00 0.00 H new ATOM 0 HA ALA A 75 158.013 -3.193 10.788 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.276 -5.522 10.389 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.033 -4.573 11.238 1.00 0.00 H new ATOM 0 HB3 ALA A 75 155.860 -4.914 9.500 1.00 0.00 H new ATOM 1061 N LEU A 76 158.971 -4.635 8.674 1.00 0.00 N ATOM 1062 CA LEU A 76 159.811 -4.917 7.515 1.00 0.00 C ATOM 1063 C LEU A 76 159.123 -5.895 6.570 1.00 0.00 C ATOM 1064 O LEU A 76 158.480 -6.849 7.006 1.00 0.00 O ATOM 1065 CB LEU A 76 161.160 -5.485 7.963 1.00 0.00 C ATOM 1066 CG LEU A 76 162.133 -4.460 8.547 1.00 0.00 C ATOM 1067 CD1 LEU A 76 162.958 -5.082 9.663 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.038 -3.905 7.458 1.00 0.00 C ATOM 0 H LEU A 76 159.077 -5.297 9.443 1.00 0.00 H new ATOM 0 HA LEU A 76 159.978 -3.981 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 76 160.981 -6.259 8.709 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.635 -5.968 7.109 1.00 0.00 H new ATOM 0 HG LEU A 76 161.555 -3.637 8.967 1.00 0.00 H new ATOM 0 HD11 LEU A 76 163.645 -4.338 10.066 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.295 -5.431 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 76 163.527 -5.924 9.269 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.724 -3.177 7.891 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.608 -4.718 7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.431 -3.421 6.692 1.00 0.00 H new ATOM 1080 N LYS A 77 159.263 -5.652 5.270 1.00 0.00 N ATOM 1081 CA LYS A 77 158.655 -6.512 4.261 1.00 0.00 C ATOM 1082 C LYS A 77 157.137 -6.531 4.405 1.00 0.00 C ATOM 1083 O LYS A 77 156.502 -7.576 4.257 1.00 0.00 O ATOM 1084 CB LYS A 77 159.210 -7.934 4.373 1.00 0.00 C ATOM 1085 CG LYS A 77 160.709 -8.021 4.143 1.00 0.00 C ATOM 1086 CD LYS A 77 161.055 -7.890 2.668 1.00 0.00 C ATOM 1087 CE LYS A 77 162.333 -7.091 2.465 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.972 -7.390 1.154 1.00 0.00 N ATOM 0 H LYS A 77 159.792 -4.867 4.891 1.00 0.00 H new ATOM 0 HA LYS A 77 158.902 -6.110 3.279 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.979 -8.328 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.702 -8.571 3.649 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.211 -7.235 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.082 -8.973 4.522 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.171 -8.882 2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.233 -7.404 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.109 -6.026 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.033 -7.315 3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.840 -6.826 1.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.209 -8.401 1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 162.314 -7.152 0.385 1.00 0.00 H new ATOM 1102 N LYS A 78 156.560 -5.370 4.693 1.00 0.00 N ATOM 1103 CA LYS A 78 155.116 -5.253 4.857 1.00 0.00 C ATOM 1104 C LYS A 78 154.630 -3.873 4.421 1.00 0.00 C ATOM 1105 O LYS A 78 153.775 -3.271 5.071 1.00 0.00 O ATOM 1106 CB LYS A 78 154.723 -5.509 6.313 1.00 0.00 C ATOM 1107 CG LYS A 78 155.187 -6.857 6.841 1.00 0.00 C ATOM 1108 CD LYS A 78 154.862 -7.020 8.316 1.00 0.00 C ATOM 1109 CE LYS A 78 153.595 -7.837 8.520 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.784 -7.328 9.660 1.00 0.00 N ATOM 0 H LYS A 78 157.070 -4.496 4.818 1.00 0.00 H new ATOM 0 HA LYS A 78 154.642 -6.003 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.142 -4.720 6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.639 -5.446 6.404 1.00 0.00 H new ATOM 0 HG2 LYS A 78 154.710 -7.655 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.262 -6.957 6.691 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.696 -7.507 8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.741 -6.038 8.774 1.00 0.00 H new ATOM 0 HE2 LYS A 78 152.997 -7.813 7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.860 -8.879 8.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 151.930 -7.911 9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.346 -7.375 10.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.509 -6.342 9.478 1.00 0.00 H new ATOM 1124 N ALA A 79 155.181 -3.379 3.318 1.00 0.00 N ATOM 1125 CA ALA A 79 154.803 -2.071 2.796 1.00 0.00 C ATOM 1126 C ALA A 79 154.667 -2.103 1.279 1.00 0.00 C ATOM 1127 O ALA A 79 155.662 -2.180 0.557 1.00 0.00 O ATOM 1128 CB ALA A 79 155.824 -1.022 3.215 1.00 0.00 C ATOM 0 H ALA A 79 155.890 -3.864 2.768 1.00 0.00 H new ATOM 0 HA ALA A 79 153.832 -1.806 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.530 -0.050 2.819 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.869 -0.972 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.805 -1.292 2.823 1.00 0.00 H new ATOM 1134 N LEU A 80 153.429 -2.045 0.799 1.00 0.00 N ATOM 1135 CA LEU A 80 153.162 -2.068 -0.635 1.00 0.00 C ATOM 1136 C LEU A 80 152.294 -0.883 -1.044 1.00 0.00 C ATOM 1137 O LEU A 80 151.115 -0.813 -0.696 1.00 0.00 O ATOM 1138 CB LEU A 80 152.475 -3.378 -1.024 1.00 0.00 C ATOM 1139 CG LEU A 80 152.077 -3.487 -2.498 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.312 -3.525 -3.383 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.216 -4.721 -2.725 1.00 0.00 C ATOM 0 H LEU A 80 152.594 -1.982 1.382 1.00 0.00 H new ATOM 0 HA LEU A 80 154.115 -1.996 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.141 -4.206 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.581 -3.498 -0.412 1.00 0.00 H new ATOM 0 HG LEU A 80 151.493 -2.606 -2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.009 -3.603 -4.427 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.890 -2.612 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.923 -4.387 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.941 -4.784 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.776 -5.612 -2.442 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.313 -4.651 -2.118 1.00 0.00 H new ATOM 1153 N PHE A 81 152.886 0.049 -1.786 1.00 0.00 N ATOM 1154 CA PHE A 81 152.167 1.232 -2.243 1.00 0.00 C ATOM 1155 C PHE A 81 151.408 0.942 -3.534 1.00 0.00 C ATOM 1156 O PHE A 81 151.925 0.285 -4.437 1.00 0.00 O ATOM 1157 CB PHE A 81 153.139 2.393 -2.461 1.00 0.00 C ATOM 1158 CG PHE A 81 153.718 2.937 -1.186 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.880 2.404 -0.654 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.100 3.984 -0.521 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.415 2.903 0.518 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.630 4.488 0.653 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.790 3.946 1.172 1.00 0.00 C ATOM 0 H PHE A 81 153.861 0.007 -2.083 1.00 0.00 H new ATOM 0 HA PHE A 81 151.447 1.509 -1.473 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.952 2.060 -3.107 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.622 3.195 -2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.374 1.588 -1.161 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.194 4.411 -0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.322 2.477 0.922 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.138 5.303 1.163 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.207 4.338 2.088 1.00 0.00 H new ATOM 1173 N VAL A 82 150.176 1.437 -3.615 1.00 0.00 N ATOM 1174 CA VAL A 82 149.347 1.232 -4.795 1.00 0.00 C ATOM 1175 C VAL A 82 148.458 2.442 -5.060 1.00 0.00 C ATOM 1176 O VAL A 82 148.317 3.319 -4.209 1.00 0.00 O ATOM 1177 CB VAL A 82 148.459 -0.019 -4.649 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.301 -1.283 -4.728 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.677 0.030 -3.346 1.00 0.00 C ATOM 0 H VAL A 82 149.731 1.983 -2.877 1.00 0.00 H new ATOM 0 HA VAL A 82 150.026 1.091 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 82 147.745 -0.034 -5.473 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.657 -2.156 -4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.810 -1.321 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.040 -1.279 -3.927 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.056 -0.862 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.371 0.070 -2.506 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.043 0.916 -3.335 1.00 0.00 H new ATOM 1189 N LYS A 83 147.860 2.481 -6.246 1.00 0.00 N ATOM 1190 CA LYS A 83 146.984 3.584 -6.625 1.00 0.00 C ATOM 1191 C LYS A 83 145.701 3.570 -5.803 1.00 0.00 C ATOM 1192 O LYS A 83 144.952 2.594 -5.815 1.00 0.00 O ATOM 1193 CB LYS A 83 146.650 3.507 -8.115 1.00 0.00 C ATOM 1194 CG LYS A 83 147.877 3.518 -9.012 1.00 0.00 C ATOM 1195 CD LYS A 83 147.699 2.598 -10.210 1.00 0.00 C ATOM 1196 CE LYS A 83 148.182 3.252 -11.495 1.00 0.00 C ATOM 1197 NZ LYS A 83 149.098 2.362 -12.260 1.00 0.00 N ATOM 0 H LYS A 83 147.966 1.762 -6.961 1.00 0.00 H new ATOM 0 HA LYS A 83 147.510 4.517 -6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.079 2.598 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 83 146.009 4.348 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.068 4.534 -9.357 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.751 3.207 -8.439 1.00 0.00 H new ATOM 0 HD2 LYS A 83 148.249 1.672 -10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.647 2.330 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.324 3.510 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.695 4.184 -11.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 149.405 2.844 -13.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.929 2.136 -11.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 148.601 1.483 -12.509 1.00 0.00 H new ATOM 1211 N LEU A 84 145.454 4.663 -5.090 1.00 0.00 N ATOM 1212 CA LEU A 84 144.263 4.786 -4.260 1.00 0.00 C ATOM 1213 C LEU A 84 142.997 4.654 -5.102 1.00 0.00 C ATOM 1214 O LEU A 84 141.964 4.191 -4.618 1.00 0.00 O ATOM 1215 CB LEU A 84 144.267 6.130 -3.530 1.00 0.00 C ATOM 1216 CG LEU A 84 143.022 6.415 -2.687 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.083 5.655 -1.372 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.881 7.909 -2.436 1.00 0.00 C ATOM 0 H LEU A 84 146.066 5.479 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 84 144.274 3.980 -3.526 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.143 6.171 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.378 6.926 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 84 142.146 6.075 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.190 5.870 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.137 4.585 -1.572 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.966 5.964 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.991 8.095 -1.835 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.760 8.273 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.791 8.431 -3.389 1.00 0.00 H new ATOM 1230 N LYS A 85 143.085 5.064 -6.363 1.00 0.00 N ATOM 1231 CA LYS A 85 141.947 4.991 -7.271 1.00 0.00 C ATOM 1232 C LYS A 85 141.531 3.543 -7.511 1.00 0.00 C ATOM 1233 O LYS A 85 140.366 3.259 -7.790 1.00 0.00 O ATOM 1234 CB LYS A 85 142.288 5.663 -8.603 1.00 0.00 C ATOM 1235 CG LYS A 85 143.572 5.147 -9.232 1.00 0.00 C ATOM 1236 CD LYS A 85 143.681 5.556 -10.693 1.00 0.00 C ATOM 1237 CE LYS A 85 144.838 4.854 -11.383 1.00 0.00 C ATOM 1238 NZ LYS A 85 146.048 5.720 -11.459 1.00 0.00 N ATOM 0 H LYS A 85 143.933 5.450 -6.779 1.00 0.00 H new ATOM 0 HA LYS A 85 141.112 5.517 -6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.464 5.509 -9.300 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.376 6.738 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 85 144.429 5.533 -8.680 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.605 4.060 -9.154 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.750 5.319 -11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 85 143.817 6.635 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.080 3.938 -10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 85 144.537 4.562 -12.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 146.571 5.510 -12.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 145.760 6.719 -11.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 146.659 5.536 -10.638 1.00 0.00 H new ATOM 1252 N SER A 86 142.491 2.629 -7.401 1.00 0.00 N ATOM 1253 CA SER A 86 142.223 1.211 -7.606 1.00 0.00 C ATOM 1254 C SER A 86 142.207 0.464 -6.276 1.00 0.00 C ATOM 1255 O SER A 86 142.569 -0.710 -6.208 1.00 0.00 O ATOM 1256 CB SER A 86 143.274 0.600 -8.535 1.00 0.00 C ATOM 1257 OG SER A 86 143.390 1.346 -9.734 1.00 0.00 O ATOM 0 H SER A 86 143.461 2.846 -7.171 1.00 0.00 H new ATOM 0 HA SER A 86 141.241 1.115 -8.069 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.238 0.569 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.003 -0.430 -8.768 1.00 0.00 H new ATOM 0 HG SER A 86 144.069 0.936 -10.310 1.00 0.00 H new ATOM 1263 N CYS A 87 141.785 1.153 -5.221 1.00 0.00 N ATOM 1264 CA CYS A 87 141.722 0.555 -3.893 1.00 0.00 C ATOM 1265 C CYS A 87 140.276 0.316 -3.471 1.00 0.00 C ATOM 1266 O CYS A 87 139.400 1.145 -3.719 1.00 0.00 O ATOM 1267 CB CYS A 87 142.421 1.455 -2.872 1.00 0.00 C ATOM 1268 SG CYS A 87 144.221 1.289 -2.851 1.00 0.00 S ATOM 0 H CYS A 87 141.482 2.126 -5.260 1.00 0.00 H new ATOM 0 HA CYS A 87 142.234 -0.407 -3.931 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.165 2.493 -3.084 1.00 0.00 H new ATOM 0 HB3 CYS A 87 142.034 1.228 -1.879 1.00 0.00 H new ATOM 0 HG CYS A 87 144.716 1.794 -3.942 1.00 0.00 H new ATOM 1274 N ARG A 88 140.033 -0.824 -2.832 1.00 0.00 N ATOM 1275 CA ARG A 88 138.693 -1.175 -2.374 1.00 0.00 C ATOM 1276 C ARG A 88 138.606 -1.111 -0.850 1.00 0.00 C ATOM 1277 O ARG A 88 139.568 -1.430 -0.152 1.00 0.00 O ATOM 1278 CB ARG A 88 138.315 -2.576 -2.865 1.00 0.00 C ATOM 1279 CG ARG A 88 137.224 -2.575 -3.923 1.00 0.00 C ATOM 1280 CD ARG A 88 136.190 -3.658 -3.660 1.00 0.00 C ATOM 1281 NE ARG A 88 135.005 -3.499 -4.500 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.945 -3.874 -5.776 1.00 0.00 C ATOM 1283 NH1 ARG A 88 135.999 -4.428 -6.363 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.828 -3.694 -6.467 1.00 0.00 N ATOM 0 H ARG A 88 140.747 -1.521 -2.619 1.00 0.00 H new ATOM 0 HA ARG A 88 137.990 -0.452 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 88 139.203 -3.062 -3.270 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.985 -3.173 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 88 136.735 -1.601 -3.942 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.669 -2.727 -4.906 1.00 0.00 H new ATOM 0 HD2 ARG A 88 136.635 -4.636 -3.842 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.897 -3.632 -2.611 1.00 0.00 H new ATOM 0 HE ARG A 88 134.175 -3.076 -4.084 1.00 0.00 H new ATOM 0 HH11 ARG A 88 136.861 -4.568 -5.836 1.00 0.00 H new ATOM 0 HH12 ARG A 88 135.947 -4.713 -7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.015 -3.268 -6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 88 133.781 -3.981 -7.445 1.00 0.00 H new ATOM 1298 N PRO A 89 137.446 -0.698 -0.311 1.00 0.00 N ATOM 1299 CA PRO A 89 137.243 -0.598 1.132 1.00 0.00 C ATOM 1300 C PRO A 89 137.003 -1.956 1.779 1.00 0.00 C ATOM 1301 O PRO A 89 135.933 -2.547 1.629 1.00 0.00 O ATOM 1302 CB PRO A 89 135.998 0.280 1.252 1.00 0.00 C ATOM 1303 CG PRO A 89 135.237 0.053 -0.007 1.00 0.00 C ATOM 1304 CD PRO A 89 136.244 -0.301 -1.068 1.00 0.00 C ATOM 0 HA PRO A 89 138.118 -0.193 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 89 135.406 0.006 2.125 1.00 0.00 H new ATOM 0 HB3 PRO A 89 136.266 1.330 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.511 -0.750 0.120 1.00 0.00 H new ATOM 0 HG3 PRO A 89 134.678 0.946 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.886 -1.113 -1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.448 0.547 -1.722 1.00 0.00 H new ATOM 1312 N ASP A 90 138.005 -2.448 2.500 1.00 0.00 N ATOM 1313 CA ASP A 90 137.904 -3.738 3.170 1.00 0.00 C ATOM 1314 C ASP A 90 136.864 -3.694 4.284 1.00 0.00 C ATOM 1315 O ASP A 90 136.879 -2.797 5.127 1.00 0.00 O ATOM 1316 CB ASP A 90 139.264 -4.144 3.744 1.00 0.00 C ATOM 1317 CG ASP A 90 139.447 -5.649 3.787 1.00 0.00 C ATOM 1318 OD1 ASP A 90 138.703 -6.359 3.077 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.334 -6.118 4.530 1.00 0.00 O ATOM 0 H ASP A 90 138.897 -1.972 2.635 1.00 0.00 H new ATOM 0 HA ASP A 90 137.590 -4.478 2.434 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.057 -3.701 3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.366 -3.739 4.751 1.00 0.00 H new ATOM 1324 N SER A 91 135.959 -4.668 4.280 1.00 0.00 N ATOM 1325 CA SER A 91 134.910 -4.741 5.290 1.00 0.00 C ATOM 1326 C SER A 91 135.155 -5.905 6.245 1.00 0.00 C ATOM 1327 O SER A 91 134.212 -6.499 6.769 1.00 0.00 O ATOM 1328 CB SER A 91 133.542 -4.891 4.625 1.00 0.00 C ATOM 1329 OG SER A 91 132.523 -4.303 5.413 1.00 0.00 O ATOM 0 H SER A 91 135.931 -5.417 3.588 1.00 0.00 H new ATOM 0 HA SER A 91 134.927 -3.814 5.863 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.560 -4.423 3.641 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.323 -5.948 4.472 1.00 0.00 H new ATOM 0 HG SER A 91 132.162 -4.971 6.032 1.00 0.00 H new ATOM 1335 N ARG A 92 136.425 -6.227 6.465 1.00 0.00 N ATOM 1336 CA ARG A 92 136.792 -7.322 7.357 1.00 0.00 C ATOM 1337 C ARG A 92 136.427 -6.995 8.800 1.00 0.00 C ATOM 1338 O ARG A 92 136.114 -7.886 9.589 1.00 0.00 O ATOM 1339 CB ARG A 92 138.291 -7.612 7.249 1.00 0.00 C ATOM 1340 CG ARG A 92 138.675 -8.368 5.988 1.00 0.00 C ATOM 1341 CD ARG A 92 139.939 -9.187 6.192 1.00 0.00 C ATOM 1342 NE ARG A 92 139.696 -10.375 7.006 1.00 0.00 N ATOM 1343 CZ ARG A 92 140.512 -11.425 7.047 1.00 0.00 C ATOM 1344 NH1 ARG A 92 141.626 -11.438 6.323 1.00 0.00 N ATOM 1345 NH2 ARG A 92 140.217 -12.465 7.815 1.00 0.00 N ATOM 0 H ARG A 92 137.217 -5.746 6.039 1.00 0.00 H new ATOM 0 HA ARG A 92 136.234 -8.208 7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 92 138.838 -6.670 7.278 1.00 0.00 H new ATOM 0 HB3 ARG A 92 138.604 -8.190 8.119 1.00 0.00 H new ATOM 0 HG2 ARG A 92 137.857 -9.026 5.694 1.00 0.00 H new ATOM 0 HG3 ARG A 92 138.826 -7.662 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 92 140.337 -9.487 5.223 1.00 0.00 H new ATOM 0 HD3 ARG A 92 140.698 -8.569 6.671 1.00 0.00 H new ATOM 0 HE ARG A 92 138.851 -10.401 7.577 1.00 0.00 H new ATOM 0 HH11 ARG A 92 141.859 -10.640 5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 92 142.248 -12.246 6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 92 139.364 -12.460 8.375 1.00 0.00 H new ATOM 0 HH22 ARG A 92 140.843 -13.270 7.846 1.00 0.00 H new ATOM 1359 N PHE A 93 136.471 -5.710 9.141 1.00 0.00 N ATOM 1360 CA PHE A 93 136.145 -5.267 10.491 1.00 0.00 C ATOM 1361 C PHE A 93 135.088 -4.167 10.466 1.00 0.00 C ATOM 1362 O PHE A 93 135.035 -3.324 11.363 1.00 0.00 O ATOM 1363 CB PHE A 93 137.403 -4.764 11.203 1.00 0.00 C ATOM 1364 CG PHE A 93 138.417 -5.841 11.463 1.00 0.00 C ATOM 1365 CD1 PHE A 93 139.383 -6.145 10.518 1.00 0.00 C ATOM 1366 CD2 PHE A 93 138.403 -6.550 12.655 1.00 0.00 C ATOM 1367 CE1 PHE A 93 140.317 -7.135 10.755 1.00 0.00 C ATOM 1368 CE2 PHE A 93 139.336 -7.542 12.897 1.00 0.00 C ATOM 1369 CZ PHE A 93 140.293 -7.834 11.947 1.00 0.00 C ATOM 0 H PHE A 93 136.729 -4.959 8.501 1.00 0.00 H new ATOM 0 HA PHE A 93 135.742 -6.120 11.037 1.00 0.00 H new ATOM 0 HB2 PHE A 93 137.863 -3.981 10.600 1.00 0.00 H new ATOM 0 HB3 PHE A 93 137.117 -4.309 12.151 1.00 0.00 H new ATOM 0 HD1 PHE A 93 139.406 -5.602 9.585 1.00 0.00 H new ATOM 0 HD2 PHE A 93 137.656 -6.325 13.402 1.00 0.00 H new ATOM 0 HE1 PHE A 93 141.065 -7.362 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 93 139.315 -8.088 13.829 1.00 0.00 H new ATOM 0 HZ PHE A 93 141.023 -8.608 12.135 1.00 0.00 H new ATOM 1379 N ALA A 94 134.248 -4.179 9.436 1.00 0.00 N ATOM 1380 CA ALA A 94 133.194 -3.181 9.298 1.00 0.00 C ATOM 1381 C ALA A 94 131.841 -3.752 9.711 1.00 0.00 C ATOM 1382 O ALA A 94 131.381 -4.748 9.154 1.00 0.00 O ATOM 1383 CB ALA A 94 133.139 -2.667 7.869 1.00 0.00 C ATOM 0 H ALA A 94 134.277 -4.869 8.685 1.00 0.00 H new ATOM 0 HA ALA A 94 133.425 -2.348 9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 94 132.348 -1.923 7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 94 134.095 -2.213 7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 94 132.935 -3.496 7.192 1.00 0.00 H new ATOM 1389 N SER A 95 131.210 -3.113 10.691 1.00 0.00 N ATOM 1390 CA SER A 95 129.909 -3.557 11.178 1.00 0.00 C ATOM 1391 C SER A 95 128.787 -2.722 10.569 1.00 0.00 C ATOM 1392 O SER A 95 128.757 -1.500 10.719 1.00 0.00 O ATOM 1393 CB SER A 95 129.855 -3.471 12.704 1.00 0.00 C ATOM 1394 OG SER A 95 130.341 -2.221 13.162 1.00 0.00 O ATOM 0 H SER A 95 131.578 -2.287 11.163 1.00 0.00 H new ATOM 0 HA SER A 95 129.770 -4.595 10.876 1.00 0.00 H new ATOM 0 HB2 SER A 95 128.829 -3.612 13.043 1.00 0.00 H new ATOM 0 HB3 SER A 95 130.448 -4.276 13.138 1.00 0.00 H new ATOM 0 HG SER A 95 130.016 -1.508 12.574 1.00 0.00 H new ATOM 1400 N LEU A 96 127.865 -3.390 9.882 1.00 0.00 N ATOM 1401 CA LEU A 96 126.741 -2.709 9.251 1.00 0.00 C ATOM 1402 C LEU A 96 125.532 -2.677 10.181 1.00 0.00 C ATOM 1403 O LEU A 96 124.737 -1.737 10.150 1.00 0.00 O ATOM 1404 CB LEU A 96 126.371 -3.401 7.938 1.00 0.00 C ATOM 1405 CG LEU A 96 125.417 -2.614 7.038 1.00 0.00 C ATOM 1406 CD1 LEU A 96 125.715 -2.891 5.572 1.00 0.00 C ATOM 1407 CD2 LEU A 96 123.972 -2.958 7.364 1.00 0.00 C ATOM 0 H LEU A 96 127.875 -4.401 9.749 1.00 0.00 H new ATOM 0 HA LEU A 96 127.042 -1.683 9.041 1.00 0.00 H new ATOM 0 HB2 LEU A 96 127.286 -3.605 7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 96 125.917 -4.365 8.168 1.00 0.00 H new ATOM 0 HG LEU A 96 125.568 -1.550 7.223 1.00 0.00 H new ATOM 0 HD11 LEU A 96 125.026 -2.322 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 96 126.739 -2.594 5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 96 125.593 -3.955 5.371 1.00 0.00 H new ATOM 0 HD21 LEU A 96 123.307 -2.389 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 96 123.808 -4.024 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 96 123.764 -2.708 8.404 1.00 0.00 H new ATOM 1419 N GLN A 97 125.400 -3.710 11.007 1.00 0.00 N ATOM 1420 CA GLN A 97 124.288 -3.800 11.946 1.00 0.00 C ATOM 1421 C GLN A 97 124.353 -2.675 12.977 1.00 0.00 C ATOM 1422 O GLN A 97 125.436 -2.211 13.334 1.00 0.00 O ATOM 1423 CB GLN A 97 124.298 -5.156 12.652 1.00 0.00 C ATOM 1424 CG GLN A 97 123.726 -6.285 11.811 1.00 0.00 C ATOM 1425 CD GLN A 97 124.413 -7.612 12.070 1.00 0.00 C ATOM 1426 OE1 GLN A 97 123.776 -8.584 12.477 1.00 0.00 O ATOM 1427 NE2 GLN A 97 125.719 -7.657 11.836 1.00 0.00 N ATOM 0 H GLN A 97 126.049 -4.496 11.045 1.00 0.00 H new ATOM 0 HA GLN A 97 123.360 -3.699 11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 97 125.323 -5.404 12.929 1.00 0.00 H new ATOM 0 HB3 GLN A 97 123.727 -5.078 13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 97 122.661 -6.385 12.020 1.00 0.00 H new ATOM 0 HG3 GLN A 97 123.821 -6.031 10.755 1.00 0.00 H new ATOM 0 HE21 GLN A 97 126.206 -6.826 11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 97 126.236 -8.522 11.993 1.00 0.00 H new ATOM 1436 N PRO A 98 123.189 -2.221 13.472 1.00 0.00 N ATOM 1437 CA PRO A 98 123.119 -1.146 14.467 1.00 0.00 C ATOM 1438 C PRO A 98 123.998 -1.425 15.682 1.00 0.00 C ATOM 1439 O PRO A 98 124.079 -2.557 16.155 1.00 0.00 O ATOM 1440 CB PRO A 98 121.643 -1.126 14.869 1.00 0.00 C ATOM 1441 CG PRO A 98 120.923 -1.699 13.698 1.00 0.00 C ATOM 1442 CD PRO A 98 121.851 -2.719 13.101 1.00 0.00 C ATOM 0 HA PRO A 98 123.477 -0.197 14.067 1.00 0.00 H new ATOM 0 HB2 PRO A 98 121.470 -1.717 15.768 1.00 0.00 H new ATOM 0 HB3 PRO A 98 121.305 -0.112 15.084 1.00 0.00 H new ATOM 0 HG2 PRO A 98 119.983 -2.158 14.004 1.00 0.00 H new ATOM 0 HG3 PRO A 98 120.677 -0.923 12.973 1.00 0.00 H new ATOM 0 HD2 PRO A 98 121.667 -3.715 13.504 1.00 0.00 H new ATOM 0 HD3 PRO A 98 121.733 -2.786 12.020 1.00 0.00 H new ATOM 1450 N SER A 99 124.656 -0.383 16.181 1.00 0.00 N ATOM 1451 CA SER A 99 125.530 -0.515 17.341 1.00 0.00 C ATOM 1452 C SER A 99 125.438 0.716 18.234 1.00 0.00 C ATOM 1453 O SER A 99 125.514 1.849 17.757 1.00 0.00 O ATOM 1454 CB SER A 99 126.977 -0.729 16.894 1.00 0.00 C ATOM 1455 OG SER A 99 127.645 -1.643 17.748 1.00 0.00 O ATOM 0 H SER A 99 124.600 0.562 15.800 1.00 0.00 H new ATOM 0 HA SER A 99 125.203 -1.382 17.914 1.00 0.00 H new ATOM 0 HB2 SER A 99 126.993 -1.104 15.871 1.00 0.00 H new ATOM 0 HB3 SER A 99 127.505 0.224 16.892 1.00 0.00 H new ATOM 0 HG SER A 99 128.567 -1.764 17.440 1.00 0.00 H new ATOM 1461 N GLY A 100 125.276 0.488 19.534 1.00 0.00 N ATOM 1462 CA GLY A 100 125.177 1.590 20.473 1.00 0.00 C ATOM 1463 C GLY A 100 126.449 1.782 21.279 1.00 0.00 C ATOM 1464 O GLY A 100 127.322 0.915 21.279 1.00 0.00 O ATOM 0 H GLY A 100 125.212 -0.440 19.953 1.00 0.00 H new ATOM 0 HA2 GLY A 100 124.953 2.508 19.929 1.00 0.00 H new ATOM 0 HA3 GLY A 100 124.344 1.411 21.152 1.00 0.00 H new ATOM 1468 N PRO A 101 126.583 2.919 21.983 1.00 0.00 N ATOM 1469 CA PRO A 101 127.768 3.210 22.797 1.00 0.00 C ATOM 1470 C PRO A 101 128.098 2.079 23.763 1.00 0.00 C ATOM 1471 O PRO A 101 129.261 1.853 24.098 1.00 0.00 O ATOM 1472 CB PRO A 101 127.372 4.472 23.565 1.00 0.00 C ATOM 1473 CG PRO A 101 126.339 5.126 22.714 1.00 0.00 C ATOM 1474 CD PRO A 101 125.590 4.010 22.041 1.00 0.00 C ATOM 0 HA PRO A 101 128.662 3.332 22.186 1.00 0.00 H new ATOM 0 HB2 PRO A 101 126.976 4.227 24.551 1.00 0.00 H new ATOM 0 HB3 PRO A 101 128.230 5.127 23.720 1.00 0.00 H new ATOM 0 HG2 PRO A 101 125.668 5.739 23.316 1.00 0.00 H new ATOM 0 HG3 PRO A 101 126.800 5.786 21.979 1.00 0.00 H new ATOM 0 HD2 PRO A 101 124.706 3.719 22.609 1.00 0.00 H new ATOM 0 HD3 PRO A 101 125.250 4.297 21.046 1.00 0.00 H new ATOM 1482 N SER A 102 127.066 1.370 24.210 1.00 0.00 N ATOM 1483 CA SER A 102 127.246 0.261 25.141 1.00 0.00 C ATOM 1484 C SER A 102 127.156 -1.077 24.416 1.00 0.00 C ATOM 1485 O SER A 102 126.907 -1.127 23.210 1.00 0.00 O ATOM 1486 CB SER A 102 126.198 0.324 26.252 1.00 0.00 C ATOM 1487 OG SER A 102 126.340 -0.761 27.151 1.00 0.00 O ATOM 0 H SER A 102 126.097 1.543 23.943 1.00 0.00 H new ATOM 0 HA SER A 102 128.238 0.348 25.583 1.00 0.00 H new ATOM 0 HB2 SER A 102 126.295 1.264 26.794 1.00 0.00 H new ATOM 0 HB3 SER A 102 125.199 0.310 25.815 1.00 0.00 H new ATOM 0 HG SER A 102 125.659 -0.696 27.853 1.00 0.00 H new ATOM 1493 N SER A 103 127.358 -2.162 25.157 1.00 0.00 N ATOM 1494 CA SER A 103 127.298 -3.502 24.584 1.00 0.00 C ATOM 1495 C SER A 103 127.003 -4.541 25.661 1.00 0.00 C ATOM 1496 O SER A 103 127.271 -4.320 26.842 1.00 0.00 O ATOM 1497 CB SER A 103 128.615 -3.838 23.882 1.00 0.00 C ATOM 1498 OG SER A 103 128.608 -5.168 23.394 1.00 0.00 O ATOM 0 H SER A 103 127.565 -2.139 26.156 1.00 0.00 H new ATOM 0 HA SER A 103 126.489 -3.522 23.854 1.00 0.00 H new ATOM 0 HB2 SER A 103 128.778 -3.145 23.056 1.00 0.00 H new ATOM 0 HB3 SER A 103 129.445 -3.707 24.577 1.00 0.00 H new ATOM 0 HG SER A 103 129.460 -5.357 22.948 1.00 0.00 H new ATOM 1504 N GLY A 104 126.448 -5.675 25.246 1.00 0.00 N ATOM 1505 CA GLY A 104 126.126 -6.731 26.186 1.00 0.00 C ATOM 1506 C GLY A 104 126.008 -8.087 25.519 1.00 0.00 C ATOM 1507 O GLY A 104 124.930 -8.384 24.963 1.00 0.00 O ATOM 1508 OXT GLY A 104 126.994 -8.853 25.551 1.00 0.00 O ATOM 0 H GLY A 104 126.216 -5.881 24.274 1.00 0.00 H new ATOM 0 HA2 GLY A 104 126.896 -6.775 26.956 1.00 0.00 H new ATOM 0 HA3 GLY A 104 125.187 -6.493 26.687 1.00 0.00 H new TER 1512 GLY A 104