USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1111 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 114 GLN : amide:sc= 0.562 K(o=0.2,f=-0.55) USER MOD Set 1.2: A 121 THR OG1 : rot 75:sc= -0.362 USER MOD Set 2.1: A 74 SER OG : rot 171:sc= 0.301 USER MOD Set 2.2: A 78 SER OG : rot -138:sc= 0.255 USER MOD Set 3.1: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 67 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Set 4.1: A 45 GLN : amide:sc= 0.464 X(o=1.2,f=0.81) USER MOD Set 4.2: A 111 SER OG : rot 135:sc= 0.689 USER MOD Set 5.1: A 44 HIS : no HE2:sc= -2.96! C(o=-6.2!,f=-10!) USER MOD Set 5.2: A 46 GLN : amide:sc= -3.25! K(o=-6.2!,f=-3.1) USER MOD Set 6.1: A 7 HIS : no HD1:sc= -0.135 K(o=0.012,f=-0.55) USER MOD Set 6.2: A 9 SER OG : rot 48:sc= 0.147 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.103 (180deg=-0.086) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.75! C(o=-1.8!,f=-3.9!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.233 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.295 X(o=-0.3,f=-0.3) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.0315 X(o=-0.032,f=-0.48) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.936 K(o=-0.94,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.21! X(o=-1.2!,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 110:sc= -0.235 USER MOD Single : A 73 MET CE :methyl -160:sc= -0.0718 (180deg=-0.467) USER MOD Single : A 82 LYS NZ :NH3+ -137:sc= -0.92 (180deg=-3.08!) USER MOD Single : A 84 TYR OH : rot 45:sc= 0.403 USER MOD Single : A 86 SER OG : rot 41:sc= 0.447 USER MOD Single : A 88 GLN : amide:sc= -0.711 K(o=-0.71,f=-1.6!) USER MOD Single : A 91 THR OG1 : rot -2:sc= 1.11 USER MOD Single : A 93 CYS SG : rot -142:sc= -6.06! USER MOD Single : A 97 THR OG1 : rot 170:sc= 0.122 USER MOD Single : A 105 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl -151:sc= -0.151 (180deg=-0.803) USER MOD Single : A 109 GLN : amide:sc= 0.228 K(o=0.23,f=-0.57) USER MOD Single : A 113 LYS NZ :NH3+ -116:sc= 1.24 (180deg=0.0885) USER MOD Single : A 115 ASN : amide:sc=-0.00807 K(o=-0.0081,f=-2!) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.0313 K(o=-0.031,f=-0.73) USER MOD Single : A 124 SER OG : rot 82:sc= 0.368 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 75:sc= 0.647 USER MOD Single : A 135 THR OG1 : rot 75:sc= 0.593 USER MOD Single : A 140 LYS NZ :NH3+ -140:sc= 0.35 (180deg=-1.31) USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.616 -6.426 -45.863 1.00 71.21 N ATOM 2 CA MET A 1 27.655 -7.378 -45.240 1.00 13.41 C ATOM 3 C MET A 1 27.444 -7.034 -43.751 1.00 23.33 C ATOM 4 O MET A 1 28.127 -6.157 -43.210 1.00 51.23 O ATOM 5 CB MET A 1 28.155 -8.842 -45.418 1.00 3.31 C ATOM 6 CG MET A 1 28.195 -9.312 -46.878 1.00 72.45 C ATOM 7 SD MET A 1 28.771 -11.013 -47.071 1.00 74.24 S ATOM 8 CE MET A 1 28.641 -11.241 -48.849 1.00 53.12 C ATOM 0 H1 MET A 1 28.150 -5.925 -46.646 1.00 71.21 H new ATOM 0 H2 MET A 1 28.933 -5.737 -45.151 1.00 71.21 H new ATOM 0 H3 MET A 1 29.437 -6.950 -46.227 1.00 71.21 H new ATOM 0 HA MET A 1 26.692 -7.288 -45.742 1.00 13.41 H new ATOM 0 HB2 MET A 1 29.154 -8.929 -44.991 1.00 3.31 H new ATOM 0 HB3 MET A 1 27.507 -9.509 -44.850 1.00 3.31 H new ATOM 0 HG2 MET A 1 27.197 -9.224 -47.307 1.00 72.45 H new ATOM 0 HG3 MET A 1 28.847 -8.649 -47.447 1.00 72.45 H new ATOM 0 HE1 MET A 1 28.965 -12.248 -49.111 1.00 53.12 H new ATOM 0 HE2 MET A 1 27.606 -11.100 -49.159 1.00 53.12 H new ATOM 0 HE3 MET A 1 29.274 -10.513 -49.356 1.00 53.12 H new ATOM 20 N GLY A 2 26.486 -7.730 -43.101 1.00 3.25 N ATOM 21 CA GLY A 2 26.158 -7.501 -41.686 1.00 43.31 C ATOM 22 C GLY A 2 25.053 -6.461 -41.528 1.00 32.15 C ATOM 23 O GLY A 2 25.341 -5.283 -41.314 1.00 34.00 O ATOM 0 H GLY A 2 25.925 -8.459 -43.542 1.00 3.25 H new ATOM 0 HA2 GLY A 2 25.844 -8.439 -41.228 1.00 43.31 H new ATOM 0 HA3 GLY A 2 27.050 -7.169 -41.154 1.00 43.31 H new ATOM 27 N HIS A 3 23.783 -6.911 -41.639 1.00 31.23 N ATOM 28 CA HIS A 3 22.593 -6.028 -41.595 1.00 74.13 C ATOM 29 C HIS A 3 22.382 -5.448 -40.182 1.00 34.25 C ATOM 30 O HIS A 3 21.825 -6.115 -39.306 1.00 21.12 O ATOM 31 CB HIS A 3 21.321 -6.792 -42.065 1.00 34.22 C ATOM 32 CG HIS A 3 21.337 -7.201 -43.504 1.00 15.40 C ATOM 33 ND1 HIS A 3 20.707 -6.487 -44.495 1.00 41.33 N ATOM 34 CD2 HIS A 3 21.925 -8.248 -44.118 1.00 45.31 C ATOM 35 CE1 HIS A 3 20.898 -7.082 -45.650 1.00 24.23 C ATOM 36 NE2 HIS A 3 21.637 -8.151 -45.451 1.00 24.32 N ATOM 0 H HIS A 3 23.553 -7.897 -41.762 1.00 31.23 H new ATOM 0 HA HIS A 3 22.770 -5.198 -42.279 1.00 74.13 H new ATOM 0 HB2 HIS A 3 21.200 -7.683 -41.449 1.00 34.22 H new ATOM 0 HB3 HIS A 3 20.449 -6.162 -41.889 1.00 34.22 H new ATOM 0 HD2 HIS A 3 22.514 -9.020 -43.645 1.00 45.31 H new ATOM 0 HE1 HIS A 3 20.513 -6.749 -46.603 1.00 24.23 H new ATOM 0 HE2 HIS A 3 21.945 -8.802 -46.173 1.00 24.32 H new ATOM 45 N HIS A 4 22.858 -4.206 -39.977 1.00 74.23 N ATOM 46 CA HIS A 4 22.748 -3.481 -38.698 1.00 31.52 C ATOM 47 C HIS A 4 21.385 -2.781 -38.606 1.00 31.41 C ATOM 48 O HIS A 4 20.963 -2.122 -39.562 1.00 54.34 O ATOM 49 CB HIS A 4 23.888 -2.440 -38.569 1.00 20.25 C ATOM 50 CG HIS A 4 25.261 -3.037 -38.707 1.00 31.05 C ATOM 51 ND1 HIS A 4 25.743 -4.006 -37.851 1.00 2.40 N ATOM 52 CD2 HIS A 4 26.248 -2.824 -39.616 1.00 25.32 C ATOM 53 CE1 HIS A 4 26.951 -4.355 -38.228 1.00 41.21 C ATOM 54 NE2 HIS A 4 27.282 -3.658 -39.294 1.00 0.53 N ATOM 0 H HIS A 4 23.335 -3.672 -40.703 1.00 74.23 H new ATOM 0 HA HIS A 4 22.835 -4.198 -37.882 1.00 31.52 H new ATOM 0 HB2 HIS A 4 23.756 -1.672 -39.331 1.00 20.25 H new ATOM 0 HB3 HIS A 4 23.811 -1.946 -37.601 1.00 20.25 H new ATOM 0 HD2 HIS A 4 26.221 -2.126 -40.440 1.00 25.32 H new ATOM 0 HE1 HIS A 4 27.572 -5.094 -37.743 1.00 41.21 H new ATOM 0 HE2 HIS A 4 28.166 -3.729 -39.798 1.00 0.53 H new ATOM 63 N HIS A 5 20.696 -2.939 -37.461 1.00 24.05 N ATOM 64 CA HIS A 5 19.371 -2.330 -37.215 1.00 51.20 C ATOM 65 C HIS A 5 19.376 -1.616 -35.857 1.00 44.25 C ATOM 66 O HIS A 5 19.365 -2.266 -34.808 1.00 74.01 O ATOM 67 CB HIS A 5 18.249 -3.404 -37.250 1.00 4.22 C ATOM 68 CG HIS A 5 18.101 -4.093 -38.580 1.00 53.11 C ATOM 69 ND1 HIS A 5 18.743 -5.272 -38.891 1.00 71.11 N ATOM 70 CD2 HIS A 5 17.390 -3.760 -39.685 1.00 34.11 C ATOM 71 CE1 HIS A 5 18.430 -5.634 -40.117 1.00 3.24 C ATOM 72 NE2 HIS A 5 17.618 -4.731 -40.620 1.00 30.45 N ATOM 0 H HIS A 5 21.041 -3.493 -36.677 1.00 24.05 H new ATOM 0 HA HIS A 5 19.170 -1.606 -38.005 1.00 51.20 H new ATOM 0 HB2 HIS A 5 18.454 -4.153 -36.485 1.00 4.22 H new ATOM 0 HB3 HIS A 5 17.301 -2.933 -36.989 1.00 4.22 H new ATOM 0 HD2 HIS A 5 16.761 -2.890 -39.804 1.00 34.11 H new ATOM 0 HE1 HIS A 5 18.780 -6.521 -40.623 1.00 3.24 H new ATOM 0 HE2 HIS A 5 17.221 -4.751 -41.559 1.00 30.45 H new ATOM 81 N HIS A 6 19.430 -0.274 -35.885 1.00 31.53 N ATOM 82 CA HIS A 6 19.344 0.568 -34.682 1.00 52.03 C ATOM 83 C HIS A 6 17.934 1.167 -34.607 1.00 12.13 C ATOM 84 O HIS A 6 17.646 2.183 -35.249 1.00 41.51 O ATOM 85 CB HIS A 6 20.432 1.678 -34.702 1.00 22.34 C ATOM 86 CG HIS A 6 21.835 1.141 -34.733 1.00 11.22 C ATOM 87 ND1 HIS A 6 22.554 1.002 -35.899 1.00 32.51 N ATOM 88 CD2 HIS A 6 22.634 0.676 -33.744 1.00 72.41 C ATOM 89 CE1 HIS A 6 23.729 0.482 -35.628 1.00 42.23 C ATOM 90 NE2 HIS A 6 23.803 0.272 -34.330 1.00 2.12 N ATOM 0 H HIS A 6 19.535 0.259 -36.748 1.00 31.53 H new ATOM 0 HA HIS A 6 19.527 -0.037 -33.794 1.00 52.03 H new ATOM 0 HB2 HIS A 6 20.275 2.314 -35.573 1.00 22.34 H new ATOM 0 HB3 HIS A 6 20.312 2.309 -33.821 1.00 22.34 H new ATOM 0 HD2 HIS A 6 22.394 0.632 -32.692 1.00 72.41 H new ATOM 0 HE1 HIS A 6 24.504 0.263 -36.348 1.00 42.23 H new ATOM 0 HE2 HIS A 6 24.603 -0.128 -33.840 1.00 2.12 H new ATOM 99 N HIS A 7 17.041 0.476 -33.875 1.00 3.10 N ATOM 100 CA HIS A 7 15.643 0.894 -33.688 1.00 71.51 C ATOM 101 C HIS A 7 15.577 2.130 -32.776 1.00 14.42 C ATOM 102 O HIS A 7 15.812 2.036 -31.564 1.00 71.25 O ATOM 103 CB HIS A 7 14.808 -0.275 -33.094 1.00 20.40 C ATOM 104 CG HIS A 7 13.400 0.104 -32.706 1.00 23.24 C ATOM 105 ND1 HIS A 7 12.410 0.381 -33.626 1.00 3.25 N ATOM 106 CD2 HIS A 7 12.817 0.258 -31.490 1.00 65.41 C ATOM 107 CE1 HIS A 7 11.297 0.682 -32.994 1.00 24.54 C ATOM 108 NE2 HIS A 7 11.521 0.624 -31.702 1.00 15.32 N ATOM 0 H HIS A 7 17.273 -0.393 -33.394 1.00 3.10 H new ATOM 0 HA HIS A 7 15.220 1.159 -34.657 1.00 71.51 H new ATOM 0 HB2 HIS A 7 14.766 -1.084 -33.823 1.00 20.40 H new ATOM 0 HB3 HIS A 7 15.323 -0.664 -32.215 1.00 20.40 H new ATOM 0 HD2 HIS A 7 13.292 0.117 -30.531 1.00 65.41 H new ATOM 0 HE1 HIS A 7 10.356 0.935 -33.460 1.00 24.54 H new ATOM 0 HE2 HIS A 7 10.835 0.821 -30.973 1.00 15.32 H new ATOM 117 N HIS A 8 15.291 3.280 -33.389 1.00 22.43 N ATOM 118 CA HIS A 8 15.107 4.561 -32.693 1.00 64.13 C ATOM 119 C HIS A 8 13.633 4.698 -32.288 1.00 41.11 C ATOM 120 O HIS A 8 12.735 4.670 -33.147 1.00 5.42 O ATOM 121 CB HIS A 8 15.523 5.748 -33.604 1.00 54.33 C ATOM 122 CG HIS A 8 16.894 5.613 -34.209 1.00 40.05 C ATOM 123 ND1 HIS A 8 18.054 5.729 -33.478 1.00 14.11 N ATOM 124 CD2 HIS A 8 17.284 5.356 -35.480 1.00 35.55 C ATOM 125 CE1 HIS A 8 19.087 5.553 -34.273 1.00 13.24 C ATOM 126 NE2 HIS A 8 18.648 5.325 -35.490 1.00 60.11 N ATOM 0 H HIS A 8 15.178 3.352 -34.400 1.00 22.43 H new ATOM 0 HA HIS A 8 15.739 4.581 -31.805 1.00 64.13 H new ATOM 0 HB2 HIS A 8 14.793 5.848 -34.407 1.00 54.33 H new ATOM 0 HB3 HIS A 8 15.485 6.669 -33.022 1.00 54.33 H new ATOM 0 HD2 HIS A 8 16.635 5.204 -36.330 1.00 35.55 H new ATOM 0 HE1 HIS A 8 20.124 5.590 -33.975 1.00 13.24 H new ATOM 0 HE2 HIS A 8 19.232 5.153 -36.309 1.00 60.11 H new ATOM 135 N SER A 9 13.396 4.819 -30.979 1.00 53.21 N ATOM 136 CA SER A 9 12.059 5.007 -30.412 1.00 53.25 C ATOM 137 C SER A 9 12.152 5.957 -29.207 1.00 62.22 C ATOM 138 O SER A 9 12.272 5.526 -28.056 1.00 63.33 O ATOM 139 CB SER A 9 11.430 3.642 -30.038 1.00 4.21 C ATOM 140 OG SER A 9 12.300 2.861 -29.230 1.00 1.05 O ATOM 0 H SER A 9 14.135 4.789 -30.276 1.00 53.21 H new ATOM 0 HA SER A 9 11.401 5.461 -31.152 1.00 53.25 H new ATOM 0 HB2 SER A 9 10.493 3.808 -29.507 1.00 4.21 H new ATOM 0 HB3 SER A 9 11.188 3.092 -30.948 1.00 4.21 H new ATOM 0 HG SER A 9 12.657 3.414 -28.504 1.00 1.05 H new ATOM 146 N HIS A 10 12.167 7.264 -29.504 1.00 21.00 N ATOM 147 CA HIS A 10 12.292 8.318 -28.490 1.00 75.21 C ATOM 148 C HIS A 10 10.894 8.752 -28.019 1.00 72.32 C ATOM 149 O HIS A 10 10.230 9.580 -28.657 1.00 35.11 O ATOM 150 CB HIS A 10 13.106 9.513 -29.054 1.00 55.21 C ATOM 151 CG HIS A 10 13.371 10.612 -28.053 1.00 24.52 C ATOM 152 ND1 HIS A 10 14.514 10.670 -27.283 1.00 71.31 N ATOM 153 CD2 HIS A 10 12.644 11.704 -27.710 1.00 32.42 C ATOM 154 CE1 HIS A 10 14.476 11.746 -26.524 1.00 4.32 C ATOM 155 NE2 HIS A 10 13.352 12.379 -26.758 1.00 34.52 N ATOM 0 H HIS A 10 12.093 7.620 -30.457 1.00 21.00 H new ATOM 0 HA HIS A 10 12.834 7.932 -27.627 1.00 75.21 H new ATOM 0 HB2 HIS A 10 14.060 9.143 -29.430 1.00 55.21 H new ATOM 0 HB3 HIS A 10 12.570 9.934 -29.904 1.00 55.21 H new ATOM 0 HD2 HIS A 10 11.684 11.987 -28.115 1.00 32.42 H new ATOM 0 HE1 HIS A 10 15.241 12.054 -25.827 1.00 4.32 H new ATOM 0 HE2 HIS A 10 13.054 13.240 -26.301 1.00 34.52 H new ATOM 164 N MET A 11 10.438 8.138 -26.919 1.00 51.44 N ATOM 165 CA MET A 11 9.164 8.500 -26.272 1.00 20.23 C ATOM 166 C MET A 11 9.398 9.639 -25.262 1.00 33.32 C ATOM 167 O MET A 11 10.548 10.016 -24.986 1.00 54.23 O ATOM 168 CB MET A 11 8.516 7.259 -25.585 1.00 75.02 C ATOM 169 CG MET A 11 9.289 6.685 -24.384 1.00 31.11 C ATOM 170 SD MET A 11 10.906 6.007 -24.827 1.00 24.51 S ATOM 171 CE MET A 11 11.516 5.472 -23.224 1.00 70.03 C ATOM 0 H MET A 11 10.937 7.380 -26.453 1.00 51.44 H new ATOM 0 HA MET A 11 8.468 8.850 -27.034 1.00 20.23 H new ATOM 0 HB2 MET A 11 7.514 7.532 -25.253 1.00 75.02 H new ATOM 0 HB3 MET A 11 8.401 6.472 -26.330 1.00 75.02 H new ATOM 0 HG2 MET A 11 9.424 7.470 -23.640 1.00 31.11 H new ATOM 0 HG3 MET A 11 8.691 5.902 -23.917 1.00 31.11 H new ATOM 0 HE1 MET A 11 12.507 5.032 -23.340 1.00 70.03 H new ATOM 0 HE2 MET A 11 11.576 6.329 -22.553 1.00 70.03 H new ATOM 0 HE3 MET A 11 10.836 4.730 -22.805 1.00 70.03 H new ATOM 181 N GLN A 12 8.298 10.201 -24.742 1.00 44.01 N ATOM 182 CA GLN A 12 8.334 11.245 -23.712 1.00 4.43 C ATOM 183 C GLN A 12 6.965 11.319 -23.015 1.00 13.24 C ATOM 184 O GLN A 12 5.988 11.773 -23.609 1.00 54.34 O ATOM 185 CB GLN A 12 8.707 12.629 -24.318 1.00 41.52 C ATOM 186 CG GLN A 12 8.869 13.748 -23.270 1.00 40.22 C ATOM 187 CD GLN A 12 9.207 15.099 -23.894 1.00 52.52 C ATOM 188 OE1 GLN A 12 10.376 15.435 -24.097 1.00 75.24 O ATOM 189 NE2 GLN A 12 8.189 15.891 -24.200 1.00 35.32 N ATOM 0 H GLN A 12 7.354 9.942 -25.027 1.00 44.01 H new ATOM 0 HA GLN A 12 9.104 10.988 -22.984 1.00 4.43 H new ATOM 0 HB2 GLN A 12 9.638 12.531 -24.877 1.00 41.52 H new ATOM 0 HB3 GLN A 12 7.936 12.922 -25.031 1.00 41.52 H new ATOM 0 HG2 GLN A 12 7.947 13.839 -22.696 1.00 40.22 H new ATOM 0 HG3 GLN A 12 9.655 13.471 -22.568 1.00 40.22 H new ATOM 0 HE21 GLN A 12 7.233 15.585 -24.020 1.00 35.32 H new ATOM 0 HE22 GLN A 12 8.362 16.806 -24.615 1.00 35.32 H new ATOM 198 N GLU A 13 6.898 10.827 -21.773 1.00 61.23 N ATOM 199 CA GLU A 13 5.687 10.920 -20.945 1.00 4.33 C ATOM 200 C GLU A 13 5.706 12.248 -20.169 1.00 72.41 C ATOM 201 O GLU A 13 6.598 12.485 -19.347 1.00 43.30 O ATOM 202 CB GLU A 13 5.576 9.712 -19.968 1.00 3.11 C ATOM 203 CG GLU A 13 5.251 8.351 -20.629 1.00 42.01 C ATOM 204 CD GLU A 13 6.325 7.851 -21.612 1.00 44.51 C ATOM 205 OE1 GLU A 13 7.354 7.310 -21.155 1.00 41.13 O ATOM 206 OE2 GLU A 13 6.149 7.987 -22.846 1.00 43.22 O ATOM 0 H GLU A 13 7.677 10.355 -21.314 1.00 61.23 H new ATOM 0 HA GLU A 13 4.812 10.892 -21.595 1.00 4.33 H new ATOM 0 HB2 GLU A 13 6.517 9.618 -19.425 1.00 3.11 H new ATOM 0 HB3 GLU A 13 4.804 9.932 -19.231 1.00 3.11 H new ATOM 0 HG2 GLU A 13 5.115 7.604 -19.847 1.00 42.01 H new ATOM 0 HG3 GLU A 13 4.302 8.435 -21.158 1.00 42.01 H new ATOM 213 N LEU A 14 4.730 13.118 -20.483 1.00 74.24 N ATOM 214 CA LEU A 14 4.556 14.421 -19.826 1.00 21.51 C ATOM 215 C LEU A 14 3.745 14.230 -18.517 1.00 64.11 C ATOM 216 O LEU A 14 2.785 13.453 -18.513 1.00 3.43 O ATOM 217 CB LEU A 14 3.835 15.437 -20.769 1.00 53.34 C ATOM 218 CG LEU A 14 4.611 15.907 -22.054 1.00 34.10 C ATOM 219 CD1 LEU A 14 4.778 14.781 -23.087 1.00 32.50 C ATOM 220 CD2 LEU A 14 3.930 17.138 -22.682 1.00 11.52 C ATOM 0 H LEU A 14 4.035 12.933 -21.206 1.00 74.24 H new ATOM 0 HA LEU A 14 5.539 14.829 -19.591 1.00 21.51 H new ATOM 0 HB2 LEU A 14 2.893 14.990 -21.088 1.00 53.34 H new ATOM 0 HB3 LEU A 14 3.586 16.322 -20.183 1.00 53.34 H new ATOM 0 HG LEU A 14 5.614 16.189 -21.735 1.00 34.10 H new ATOM 0 HD11 LEU A 14 5.320 15.160 -23.954 1.00 32.50 H new ATOM 0 HD12 LEU A 14 5.336 13.958 -22.641 1.00 32.50 H new ATOM 0 HD13 LEU A 14 3.796 14.426 -23.400 1.00 32.50 H new ATOM 0 HD21 LEU A 14 4.483 17.447 -23.569 1.00 11.52 H new ATOM 0 HD22 LEU A 14 2.907 16.885 -22.961 1.00 11.52 H new ATOM 0 HD23 LEU A 14 3.917 17.955 -21.960 1.00 11.52 H new ATOM 232 N PRO A 15 4.126 14.921 -17.386 1.00 13.50 N ATOM 233 CA PRO A 15 3.379 14.847 -16.096 1.00 72.20 C ATOM 234 C PRO A 15 1.880 15.183 -16.263 1.00 63.45 C ATOM 235 O PRO A 15 1.526 16.088 -17.032 1.00 60.04 O ATOM 236 CB PRO A 15 4.106 15.897 -15.203 1.00 12.41 C ATOM 237 CG PRO A 15 5.491 15.983 -15.778 1.00 62.21 C ATOM 238 CD PRO A 15 5.303 15.825 -17.274 1.00 20.01 C ATOM 0 HA PRO A 15 3.382 13.844 -15.670 1.00 72.20 H new ATOM 0 HB2 PRO A 15 3.602 16.863 -15.235 1.00 12.41 H new ATOM 0 HB3 PRO A 15 4.128 15.584 -14.159 1.00 12.41 H new ATOM 0 HG2 PRO A 15 5.960 16.937 -15.537 1.00 62.21 H new ATOM 0 HG3 PRO A 15 6.135 15.201 -15.376 1.00 62.21 H new ATOM 0 HD2 PRO A 15 5.119 16.784 -17.758 1.00 20.01 H new ATOM 0 HD3 PRO A 15 6.186 15.394 -17.746 1.00 20.01 H new ATOM 246 N ASP A 16 1.019 14.436 -15.549 1.00 21.10 N ATOM 247 CA ASP A 16 -0.449 14.559 -15.669 1.00 45.12 C ATOM 248 C ASP A 16 -0.956 15.916 -15.167 1.00 24.13 C ATOM 249 O ASP A 16 -0.317 16.546 -14.316 1.00 22.40 O ATOM 250 CB ASP A 16 -1.153 13.420 -14.892 1.00 65.53 C ATOM 251 CG ASP A 16 -1.029 12.061 -15.586 1.00 34.14 C ATOM 252 OD1 ASP A 16 -1.830 11.788 -16.510 1.00 45.43 O ATOM 253 OD2 ASP A 16 -0.127 11.274 -15.234 1.00 72.21 O ATOM 0 H ASP A 16 1.318 13.732 -14.874 1.00 21.10 H new ATOM 0 HA ASP A 16 -0.691 14.482 -16.729 1.00 45.12 H new ATOM 0 HB2 ASP A 16 -0.726 13.352 -13.891 1.00 65.53 H new ATOM 0 HB3 ASP A 16 -2.208 13.666 -14.772 1.00 65.53 H new ATOM 258 N SER A 17 -2.119 16.336 -15.710 1.00 45.24 N ATOM 259 CA SER A 17 -2.769 17.612 -15.357 1.00 24.33 C ATOM 260 C SER A 17 -3.127 17.650 -13.860 1.00 64.40 C ATOM 261 O SER A 17 -2.729 18.575 -13.138 1.00 23.42 O ATOM 262 CB SER A 17 -4.017 17.823 -16.245 1.00 34.15 C ATOM 263 OG SER A 17 -3.666 17.863 -17.624 1.00 74.53 O ATOM 0 H SER A 17 -2.633 15.797 -16.407 1.00 45.24 H new ATOM 0 HA SER A 17 -2.073 18.430 -15.541 1.00 24.33 H new ATOM 0 HB2 SER A 17 -4.730 17.017 -16.072 1.00 34.15 H new ATOM 0 HB3 SER A 17 -4.512 18.753 -15.966 1.00 34.15 H new ATOM 0 HG SER A 17 -4.473 17.996 -18.163 1.00 74.53 H new ATOM 269 N GLY A 18 -3.864 16.622 -13.416 1.00 73.24 N ATOM 270 CA GLY A 18 -4.120 16.388 -12.000 1.00 12.53 C ATOM 271 C GLY A 18 -2.888 15.757 -11.350 1.00 14.21 C ATOM 272 O GLY A 18 -2.859 14.547 -11.102 1.00 31.04 O ATOM 0 H GLY A 18 -4.296 15.934 -14.033 1.00 73.24 H new ATOM 0 HA2 GLY A 18 -4.363 17.328 -11.505 1.00 12.53 H new ATOM 0 HA3 GLY A 18 -4.982 15.732 -11.880 1.00 12.53 H new ATOM 276 N ALA A 19 -1.858 16.591 -11.122 1.00 2.14 N ATOM 277 CA ALA A 19 -0.521 16.148 -10.704 1.00 34.44 C ATOM 278 C ALA A 19 -0.494 15.700 -9.232 1.00 63.24 C ATOM 279 O ALA A 19 -0.295 16.522 -8.327 1.00 2.01 O ATOM 280 CB ALA A 19 0.496 17.278 -10.968 1.00 40.15 C ATOM 0 H ALA A 19 -1.934 17.603 -11.225 1.00 2.14 H new ATOM 0 HA ALA A 19 -0.246 15.273 -11.294 1.00 34.44 H new ATOM 0 HB1 ALA A 19 1.489 16.953 -10.659 1.00 40.15 H new ATOM 0 HB2 ALA A 19 0.507 17.517 -12.031 1.00 40.15 H new ATOM 0 HB3 ALA A 19 0.211 18.164 -10.400 1.00 40.15 H new ATOM 286 N LEU A 20 -0.745 14.400 -8.997 1.00 2.15 N ATOM 287 CA LEU A 20 -0.567 13.779 -7.678 1.00 41.55 C ATOM 288 C LEU A 20 0.852 13.204 -7.617 1.00 62.14 C ATOM 289 O LEU A 20 1.110 12.113 -8.149 1.00 34.44 O ATOM 290 CB LEU A 20 -1.609 12.644 -7.446 1.00 74.40 C ATOM 291 CG LEU A 20 -1.593 12.011 -6.015 1.00 65.51 C ATOM 292 CD1 LEU A 20 -2.108 13.001 -4.972 1.00 44.52 C ATOM 293 CD2 LEU A 20 -2.363 10.684 -5.947 1.00 41.40 C ATOM 0 H LEU A 20 -1.076 13.755 -9.715 1.00 2.15 H new ATOM 0 HA LEU A 20 -0.716 14.527 -6.899 1.00 41.55 H new ATOM 0 HB2 LEU A 20 -2.605 13.042 -7.639 1.00 74.40 H new ATOM 0 HB3 LEU A 20 -1.433 11.855 -8.177 1.00 74.40 H new ATOM 0 HG LEU A 20 -0.553 11.780 -5.785 1.00 65.51 H new ATOM 0 HD11 LEU A 20 -2.086 12.536 -3.987 1.00 44.52 H new ATOM 0 HD12 LEU A 20 -1.475 13.888 -4.968 1.00 44.52 H new ATOM 0 HD13 LEU A 20 -3.131 13.287 -5.216 1.00 44.52 H new ATOM 0 HD21 LEU A 20 -2.319 10.290 -4.932 1.00 41.40 H new ATOM 0 HD22 LEU A 20 -3.403 10.852 -6.226 1.00 41.40 H new ATOM 0 HD23 LEU A 20 -1.914 9.967 -6.634 1.00 41.40 H new ATOM 305 N MET A 21 1.782 13.938 -6.995 1.00 41.54 N ATOM 306 CA MET A 21 3.181 13.501 -6.875 1.00 23.13 C ATOM 307 C MET A 21 3.367 12.894 -5.481 1.00 21.34 C ATOM 308 O MET A 21 3.469 13.622 -4.483 1.00 33.15 O ATOM 309 CB MET A 21 4.168 14.683 -7.126 1.00 22.11 C ATOM 310 CG MET A 21 5.626 14.262 -7.411 1.00 51.23 C ATOM 311 SD MET A 21 6.397 13.342 -6.057 1.00 4.21 S ATOM 312 CE MET A 21 8.024 12.995 -6.726 1.00 43.20 C ATOM 0 H MET A 21 1.591 14.843 -6.564 1.00 41.54 H new ATOM 0 HA MET A 21 3.405 12.752 -7.634 1.00 23.13 H new ATOM 0 HB2 MET A 21 3.803 15.269 -7.969 1.00 22.11 H new ATOM 0 HB3 MET A 21 4.158 15.337 -6.254 1.00 22.11 H new ATOM 0 HG2 MET A 21 5.648 13.650 -8.313 1.00 51.23 H new ATOM 0 HG3 MET A 21 6.219 15.154 -7.616 1.00 51.23 H new ATOM 0 HE1 MET A 21 8.605 12.433 -5.995 1.00 43.20 H new ATOM 0 HE2 MET A 21 7.924 12.409 -7.639 1.00 43.20 H new ATOM 0 HE3 MET A 21 8.533 13.933 -6.950 1.00 43.20 H new ATOM 322 N LEU A 22 3.358 11.554 -5.422 1.00 2.04 N ATOM 323 CA LEU A 22 3.553 10.789 -4.190 1.00 60.50 C ATOM 324 C LEU A 22 5.051 10.743 -3.843 1.00 24.52 C ATOM 325 O LEU A 22 5.844 10.170 -4.590 1.00 74.40 O ATOM 326 CB LEU A 22 2.991 9.350 -4.377 1.00 42.30 C ATOM 327 CG LEU A 22 1.480 9.263 -4.746 1.00 51.42 C ATOM 328 CD1 LEU A 22 1.097 7.838 -5.195 1.00 20.25 C ATOM 329 CD2 LEU A 22 0.597 9.747 -3.575 1.00 21.12 C ATOM 0 H LEU A 22 3.213 10.966 -6.243 1.00 2.04 H new ATOM 0 HA LEU A 22 3.019 11.270 -3.370 1.00 60.50 H new ATOM 0 HB2 LEU A 22 3.567 8.852 -5.157 1.00 42.30 H new ATOM 0 HB3 LEU A 22 3.155 8.792 -3.455 1.00 42.30 H new ATOM 0 HG LEU A 22 1.300 9.928 -5.590 1.00 51.42 H new ATOM 0 HD11 LEU A 22 0.037 7.808 -5.446 1.00 20.25 H new ATOM 0 HD12 LEU A 22 1.685 7.562 -6.070 1.00 20.25 H new ATOM 0 HD13 LEU A 22 1.298 7.135 -4.386 1.00 20.25 H new ATOM 0 HD21 LEU A 22 -0.453 9.676 -3.858 1.00 21.12 H new ATOM 0 HD22 LEU A 22 0.780 9.124 -2.700 1.00 21.12 H new ATOM 0 HD23 LEU A 22 0.840 10.783 -3.340 1.00 21.12 H new ATOM 341 N VAL A 23 5.432 11.417 -2.755 1.00 64.01 N ATOM 342 CA VAL A 23 6.777 11.307 -2.161 1.00 51.23 C ATOM 343 C VAL A 23 6.733 10.351 -0.945 1.00 72.33 C ATOM 344 O VAL A 23 5.691 10.220 -0.303 1.00 2.34 O ATOM 345 CB VAL A 23 7.330 12.725 -1.732 1.00 43.42 C ATOM 346 CG1 VAL A 23 7.589 13.611 -2.964 1.00 61.11 C ATOM 347 CG2 VAL A 23 6.387 13.443 -0.742 1.00 35.54 C ATOM 0 H VAL A 23 4.817 12.059 -2.255 1.00 64.01 H new ATOM 0 HA VAL A 23 7.455 10.901 -2.912 1.00 51.23 H new ATOM 0 HB VAL A 23 8.276 12.553 -1.218 1.00 43.42 H new ATOM 0 HG11 VAL A 23 7.969 14.581 -2.642 1.00 61.11 H new ATOM 0 HG12 VAL A 23 8.324 13.130 -3.610 1.00 61.11 H new ATOM 0 HG13 VAL A 23 6.658 13.751 -3.514 1.00 61.11 H new ATOM 0 HG21 VAL A 23 6.808 14.412 -0.476 1.00 35.54 H new ATOM 0 HG22 VAL A 23 5.412 13.587 -1.207 1.00 35.54 H new ATOM 0 HG23 VAL A 23 6.274 12.837 0.157 1.00 35.54 H new ATOM 357 N PRO A 24 7.848 9.625 -0.623 1.00 73.44 N ATOM 358 CA PRO A 24 7.945 8.835 0.633 1.00 54.42 C ATOM 359 C PRO A 24 7.887 9.756 1.877 1.00 0.13 C ATOM 360 O PRO A 24 7.269 9.421 2.895 1.00 31.31 O ATOM 361 CB PRO A 24 9.313 8.108 0.493 1.00 41.43 C ATOM 362 CG PRO A 24 9.653 8.179 -0.973 1.00 21.12 C ATOM 363 CD PRO A 24 9.073 9.487 -1.451 1.00 14.20 C ATOM 0 HA PRO A 24 7.120 8.136 0.773 1.00 54.42 H new ATOM 0 HB2 PRO A 24 10.079 8.592 1.098 1.00 41.43 H new ATOM 0 HB3 PRO A 24 9.245 7.074 0.831 1.00 41.43 H new ATOM 0 HG2 PRO A 24 10.731 8.146 -1.129 1.00 21.12 H new ATOM 0 HG3 PRO A 24 9.226 7.337 -1.517 1.00 21.12 H new ATOM 0 HD2 PRO A 24 9.763 10.317 -1.295 1.00 14.20 H new ATOM 0 HD3 PRO A 24 8.841 9.462 -2.516 1.00 14.20 H new ATOM 371 N ASN A 25 8.561 10.914 1.746 1.00 12.50 N ATOM 372 CA ASN A 25 8.550 12.028 2.718 1.00 72.02 C ATOM 373 C ASN A 25 9.087 11.586 4.099 1.00 54.40 C ATOM 374 O ASN A 25 10.299 11.619 4.333 1.00 42.40 O ATOM 375 CB ASN A 25 7.136 12.682 2.799 1.00 64.12 C ATOM 376 CG ASN A 25 7.111 13.993 3.583 1.00 24.23 C ATOM 377 OD1 ASN A 25 6.921 14.006 4.796 1.00 13.45 O ATOM 378 ND2 ASN A 25 7.284 15.114 2.902 1.00 30.34 N ATOM 0 H ASN A 25 9.148 11.108 0.935 1.00 12.50 H new ATOM 0 HA ASN A 25 9.235 12.797 2.361 1.00 72.02 H new ATOM 0 HB2 ASN A 25 6.772 12.866 1.788 1.00 64.12 H new ATOM 0 HB3 ASN A 25 6.446 11.978 3.263 1.00 64.12 H new ATOM 0 HD21 ASN A 25 7.261 16.012 3.384 1.00 30.34 H new ATOM 0 HD22 ASN A 25 7.440 15.080 1.895 1.00 30.34 H new ATOM 385 N ARG A 26 8.182 11.149 4.999 1.00 74.53 N ATOM 386 CA ARG A 26 8.544 10.651 6.336 1.00 24.34 C ATOM 387 C ARG A 26 8.454 9.128 6.350 1.00 22.11 C ATOM 388 O ARG A 26 7.368 8.578 6.146 1.00 72.33 O ATOM 389 CB ARG A 26 7.634 11.266 7.440 1.00 73.11 C ATOM 390 CG ARG A 26 7.796 12.796 7.618 1.00 12.44 C ATOM 391 CD ARG A 26 9.248 13.191 7.922 1.00 24.51 C ATOM 392 NE ARG A 26 9.462 14.645 7.946 1.00 31.42 N ATOM 393 CZ ARG A 26 10.644 15.244 7.744 1.00 64.14 C ATOM 394 NH1 ARG A 26 11.755 14.536 7.499 1.00 0.01 N ATOM 395 NH2 ARG A 26 10.721 16.567 7.801 1.00 53.13 N ATOM 0 H ARG A 26 7.179 11.133 4.816 1.00 74.53 H new ATOM 0 HA ARG A 26 9.567 10.956 6.555 1.00 24.34 H new ATOM 0 HB2 ARG A 26 6.593 11.048 7.200 1.00 73.11 H new ATOM 0 HB3 ARG A 26 7.852 10.776 8.389 1.00 73.11 H new ATOM 0 HG2 ARG A 26 7.465 13.303 6.712 1.00 12.44 H new ATOM 0 HG3 ARG A 26 7.151 13.137 8.428 1.00 12.44 H new ATOM 0 HD2 ARG A 26 9.537 12.772 8.886 1.00 24.51 H new ATOM 0 HD3 ARG A 26 9.903 12.747 7.172 1.00 24.51 H new ATOM 0 HE ARG A 26 8.654 15.240 8.129 1.00 31.42 H new ATOM 0 HH11 ARG A 26 11.713 13.518 7.463 1.00 0.01 H new ATOM 0 HH12 ARG A 26 12.643 15.016 7.349 1.00 0.01 H new ATOM 0 HH21 ARG A 26 9.886 17.118 7.997 1.00 53.13 H new ATOM 0 HH22 ARG A 26 11.616 17.033 7.649 1.00 53.13 H new ATOM 409 N GLN A 27 9.604 8.458 6.526 1.00 2.43 N ATOM 410 CA GLN A 27 9.647 7.013 6.761 1.00 40.20 C ATOM 411 C GLN A 27 9.025 6.715 8.144 1.00 24.10 C ATOM 412 O GLN A 27 9.619 7.001 9.188 1.00 30.20 O ATOM 413 CB GLN A 27 11.107 6.466 6.632 1.00 31.01 C ATOM 414 CG GLN A 27 12.167 7.175 7.497 1.00 20.13 C ATOM 415 CD GLN A 27 13.533 6.500 7.441 1.00 2.04 C ATOM 416 OE1 GLN A 27 13.841 5.617 8.249 1.00 61.22 O ATOM 417 NE2 GLN A 27 14.358 6.887 6.479 1.00 42.32 N ATOM 0 H GLN A 27 10.522 8.902 6.509 1.00 2.43 H new ATOM 0 HA GLN A 27 9.062 6.495 6.001 1.00 40.20 H new ATOM 0 HB2 GLN A 27 11.103 5.407 6.891 1.00 31.01 H new ATOM 0 HB3 GLN A 27 11.411 6.537 5.588 1.00 31.01 H new ATOM 0 HG2 GLN A 27 12.265 8.209 7.166 1.00 20.13 H new ATOM 0 HG3 GLN A 27 11.824 7.203 8.531 1.00 20.13 H new ATOM 0 HE21 GLN A 27 14.074 7.619 5.827 1.00 42.32 H new ATOM 0 HE22 GLN A 27 15.277 6.453 6.390 1.00 42.32 H new ATOM 426 N LEU A 28 7.786 6.202 8.138 1.00 60.31 N ATOM 427 CA LEU A 28 7.017 5.981 9.372 1.00 62.34 C ATOM 428 C LEU A 28 7.545 4.732 10.095 1.00 52.02 C ATOM 429 O LEU A 28 7.665 3.663 9.484 1.00 62.22 O ATOM 430 CB LEU A 28 5.509 5.816 9.057 1.00 55.40 C ATOM 431 CG LEU A 28 4.867 6.891 8.132 1.00 23.54 C ATOM 432 CD1 LEU A 28 3.352 6.668 8.036 1.00 4.24 C ATOM 433 CD2 LEU A 28 5.200 8.328 8.583 1.00 52.35 C ATOM 0 H LEU A 28 7.293 5.931 7.287 1.00 60.31 H new ATOM 0 HA LEU A 28 7.138 6.850 10.018 1.00 62.34 H new ATOM 0 HB2 LEU A 28 5.362 4.839 8.596 1.00 55.40 H new ATOM 0 HB3 LEU A 28 4.963 5.809 10.000 1.00 55.40 H new ATOM 0 HG LEU A 28 5.300 6.776 7.138 1.00 23.54 H new ATOM 0 HD11 LEU A 28 2.913 7.425 7.387 1.00 4.24 H new ATOM 0 HD12 LEU A 28 3.155 5.678 7.624 1.00 4.24 H new ATOM 0 HD13 LEU A 28 2.910 6.741 9.030 1.00 4.24 H new ATOM 0 HD21 LEU A 28 4.729 9.040 7.906 1.00 52.35 H new ATOM 0 HD22 LEU A 28 4.826 8.488 9.594 1.00 52.35 H new ATOM 0 HD23 LEU A 28 6.280 8.473 8.568 1.00 52.35 H new ATOM 445 N THR A 29 7.855 4.882 11.392 1.00 60.24 N ATOM 446 CA THR A 29 8.290 3.765 12.242 1.00 31.25 C ATOM 447 C THR A 29 7.146 2.750 12.406 1.00 61.51 C ATOM 448 O THR A 29 5.994 3.082 12.147 1.00 31.42 O ATOM 449 CB THR A 29 8.754 4.275 13.650 1.00 41.23 C ATOM 450 OG1 THR A 29 7.705 5.033 14.277 1.00 54.01 O ATOM 451 CG2 THR A 29 10.025 5.138 13.558 1.00 52.01 C ATOM 0 H THR A 29 7.811 5.777 11.879 1.00 60.24 H new ATOM 0 HA THR A 29 9.137 3.280 11.757 1.00 31.25 H new ATOM 0 HB THR A 29 8.984 3.396 14.252 1.00 41.23 H new ATOM 0 HG1 THR A 29 8.007 5.344 15.156 1.00 54.01 H new ATOM 0 HG21 THR A 29 10.312 5.471 14.556 1.00 52.01 H new ATOM 0 HG22 THR A 29 10.834 4.549 13.125 1.00 52.01 H new ATOM 0 HG23 THR A 29 9.831 6.006 12.928 1.00 52.01 H new ATOM 459 N ALA A 30 7.473 1.514 12.808 1.00 43.11 N ATOM 460 CA ALA A 30 6.471 0.472 13.099 1.00 11.24 C ATOM 461 C ALA A 30 5.464 0.954 14.157 1.00 63.43 C ATOM 462 O ALA A 30 4.271 0.675 14.056 1.00 53.33 O ATOM 463 CB ALA A 30 7.171 -0.815 13.558 1.00 74.12 C ATOM 0 H ALA A 30 8.436 1.206 12.941 1.00 43.11 H new ATOM 0 HA ALA A 30 5.915 0.262 12.186 1.00 11.24 H new ATOM 0 HB1 ALA A 30 6.424 -1.580 13.771 1.00 74.12 H new ATOM 0 HB2 ALA A 30 7.837 -1.168 12.770 1.00 74.12 H new ATOM 0 HB3 ALA A 30 7.750 -0.613 14.459 1.00 74.12 H new ATOM 469 N ASP A 31 5.980 1.688 15.160 1.00 65.52 N ATOM 470 CA ASP A 31 5.170 2.296 16.230 1.00 21.53 C ATOM 471 C ASP A 31 4.213 3.365 15.674 1.00 4.12 C ATOM 472 O ASP A 31 3.010 3.338 15.964 1.00 10.41 O ATOM 473 CB ASP A 31 6.091 2.935 17.305 1.00 45.21 C ATOM 474 CG ASP A 31 7.067 1.921 17.924 1.00 13.33 C ATOM 475 OD1 ASP A 31 8.111 1.638 17.296 1.00 42.43 O ATOM 476 OD2 ASP A 31 6.780 1.380 19.010 1.00 75.42 O ATOM 0 H ASP A 31 6.978 1.877 15.251 1.00 65.52 H new ATOM 0 HA ASP A 31 4.574 1.503 16.682 1.00 21.53 H new ATOM 0 HB2 ASP A 31 6.657 3.751 16.855 1.00 45.21 H new ATOM 0 HB3 ASP A 31 5.476 3.370 18.093 1.00 45.21 H new ATOM 481 N TYR A 32 4.759 4.299 14.855 1.00 31.14 N ATOM 482 CA TYR A 32 3.989 5.442 14.326 1.00 1.45 C ATOM 483 C TYR A 32 2.910 4.942 13.371 1.00 41.11 C ATOM 484 O TYR A 32 1.754 5.342 13.478 1.00 42.13 O ATOM 485 CB TYR A 32 4.897 6.477 13.603 1.00 5.43 C ATOM 486 CG TYR A 32 4.161 7.741 13.120 1.00 62.01 C ATOM 487 CD1 TYR A 32 3.976 8.828 13.970 1.00 23.24 C ATOM 488 CD2 TYR A 32 3.626 7.830 11.827 1.00 71.22 C ATOM 489 CE1 TYR A 32 3.295 9.954 13.550 1.00 65.25 C ATOM 490 CE2 TYR A 32 2.937 8.950 11.409 1.00 65.40 C ATOM 491 CZ TYR A 32 2.773 10.008 12.273 1.00 41.44 C ATOM 492 OH TYR A 32 2.064 11.120 11.866 1.00 11.43 O ATOM 0 H TYR A 32 5.732 4.278 14.549 1.00 31.14 H new ATOM 0 HA TYR A 32 3.528 5.948 15.175 1.00 1.45 H new ATOM 0 HB2 TYR A 32 5.698 6.774 14.279 1.00 5.43 H new ATOM 0 HB3 TYR A 32 5.366 5.994 12.746 1.00 5.43 H new ATOM 0 HD1 TYR A 32 4.371 8.790 14.974 1.00 23.24 H new ATOM 0 HD2 TYR A 32 3.756 7.004 11.143 1.00 71.22 H new ATOM 0 HE1 TYR A 32 3.171 10.792 14.220 1.00 65.25 H new ATOM 0 HE2 TYR A 32 2.529 8.996 10.410 1.00 65.40 H new ATOM 0 HH TYR A 32 1.767 10.998 10.940 1.00 11.43 H new ATOM 502 N PHE A 33 3.322 4.069 12.432 1.00 65.42 N ATOM 503 CA PHE A 33 2.435 3.466 11.430 1.00 11.15 C ATOM 504 C PHE A 33 1.275 2.729 12.114 1.00 65.44 C ATOM 505 O PHE A 33 0.136 2.880 11.691 1.00 45.54 O ATOM 506 CB PHE A 33 3.217 2.491 10.510 1.00 11.44 C ATOM 507 CG PHE A 33 2.364 1.854 9.409 1.00 62.11 C ATOM 508 CD1 PHE A 33 1.627 0.686 9.640 1.00 24.32 C ATOM 509 CD2 PHE A 33 2.276 2.433 8.145 1.00 64.14 C ATOM 510 CE1 PHE A 33 0.833 0.147 8.659 1.00 53.34 C ATOM 511 CE2 PHE A 33 1.485 1.876 7.158 1.00 31.11 C ATOM 512 CZ PHE A 33 0.765 0.740 7.415 1.00 21.44 C ATOM 0 H PHE A 33 4.291 3.762 12.351 1.00 65.42 H new ATOM 0 HA PHE A 33 2.029 4.269 10.814 1.00 11.15 H new ATOM 0 HB2 PHE A 33 4.045 3.029 10.048 1.00 11.44 H new ATOM 0 HB3 PHE A 33 3.652 1.700 11.122 1.00 11.44 H new ATOM 0 HD1 PHE A 33 1.684 0.202 10.604 1.00 24.32 H new ATOM 0 HD2 PHE A 33 2.835 3.332 7.933 1.00 64.14 H new ATOM 0 HE1 PHE A 33 0.259 -0.745 8.862 1.00 53.34 H new ATOM 0 HE2 PHE A 33 1.435 2.337 6.183 1.00 31.11 H new ATOM 0 HZ PHE A 33 0.144 0.308 6.644 1.00 21.44 H new ATOM 522 N GLU A 34 1.604 1.928 13.155 1.00 23.54 N ATOM 523 CA GLU A 34 0.617 1.152 13.923 1.00 63.01 C ATOM 524 C GLU A 34 -0.470 2.086 14.494 1.00 72.14 C ATOM 525 O GLU A 34 -1.656 1.890 14.238 1.00 5.15 O ATOM 526 CB GLU A 34 1.307 0.375 15.077 1.00 23.41 C ATOM 527 CG GLU A 34 0.377 -0.576 15.871 1.00 4.24 C ATOM 528 CD GLU A 34 -0.152 -1.756 15.034 1.00 40.33 C ATOM 529 OE1 GLU A 34 0.583 -2.765 14.891 1.00 42.22 O ATOM 530 OE2 GLU A 34 -1.287 -1.675 14.506 1.00 11.02 O ATOM 0 H GLU A 34 2.563 1.806 13.481 1.00 23.54 H new ATOM 0 HA GLU A 34 0.150 0.433 13.250 1.00 63.01 H new ATOM 0 HB2 GLU A 34 2.130 -0.208 14.662 1.00 23.41 H new ATOM 0 HB3 GLU A 34 1.744 1.094 15.770 1.00 23.41 H new ATOM 0 HG2 GLU A 34 0.919 -0.966 16.733 1.00 4.24 H new ATOM 0 HG3 GLU A 34 -0.468 -0.006 16.257 1.00 4.24 H new ATOM 537 N LYS A 35 -0.021 3.133 15.223 1.00 62.15 N ATOM 538 CA LYS A 35 -0.908 4.128 15.850 1.00 20.11 C ATOM 539 C LYS A 35 -1.803 4.821 14.812 1.00 60.04 C ATOM 540 O LYS A 35 -3.016 4.872 14.987 1.00 73.11 O ATOM 541 CB LYS A 35 -0.077 5.183 16.623 1.00 64.21 C ATOM 542 CG LYS A 35 0.626 4.632 17.880 1.00 74.03 C ATOM 543 CD LYS A 35 1.487 5.701 18.599 1.00 62.41 C ATOM 544 CE LYS A 35 2.655 6.210 17.737 1.00 53.43 C ATOM 545 NZ LYS A 35 3.501 7.203 18.458 1.00 50.53 N ATOM 0 H LYS A 35 0.970 3.308 15.391 1.00 62.15 H new ATOM 0 HA LYS A 35 -1.553 3.598 16.550 1.00 20.11 H new ATOM 0 HB2 LYS A 35 0.675 5.600 15.953 1.00 64.21 H new ATOM 0 HB3 LYS A 35 -0.733 6.003 16.916 1.00 64.21 H new ATOM 0 HG2 LYS A 35 -0.124 4.249 18.572 1.00 74.03 H new ATOM 0 HG3 LYS A 35 1.259 3.791 17.598 1.00 74.03 H new ATOM 0 HD2 LYS A 35 0.853 6.543 18.877 1.00 62.41 H new ATOM 0 HD3 LYS A 35 1.881 5.280 19.524 1.00 62.41 H new ATOM 0 HE2 LYS A 35 3.272 5.365 17.430 1.00 53.43 H new ATOM 0 HE3 LYS A 35 2.261 6.664 16.828 1.00 53.43 H new ATOM 0 HZ1 LYS A 35 4.274 7.516 17.837 1.00 50.53 H new ATOM 0 HZ2 LYS A 35 2.920 8.022 18.729 1.00 50.53 H new ATOM 0 HZ3 LYS A 35 3.900 6.764 19.312 1.00 50.53 H new ATOM 559 N THR A 36 -1.185 5.314 13.721 1.00 13.14 N ATOM 560 CA THR A 36 -1.882 6.076 12.663 1.00 33.23 C ATOM 561 C THR A 36 -2.883 5.182 11.890 1.00 31.25 C ATOM 562 O THR A 36 -3.958 5.638 11.482 1.00 44.55 O ATOM 563 CB THR A 36 -0.850 6.719 11.670 1.00 13.14 C ATOM 564 OG1 THR A 36 0.175 7.402 12.420 1.00 44.04 O ATOM 565 CG2 THR A 36 -1.511 7.734 10.719 1.00 72.12 C ATOM 0 H THR A 36 -0.187 5.196 13.547 1.00 13.14 H new ATOM 0 HA THR A 36 -2.445 6.873 13.148 1.00 33.23 H new ATOM 0 HB THR A 36 -0.430 5.911 11.072 1.00 13.14 H new ATOM 0 HG1 THR A 36 0.794 6.745 12.802 1.00 44.04 H new ATOM 0 HG21 THR A 36 -0.757 8.152 10.052 1.00 72.12 H new ATOM 0 HG22 THR A 36 -2.280 7.234 10.130 1.00 72.12 H new ATOM 0 HG23 THR A 36 -1.965 8.536 11.301 1.00 72.12 H new ATOM 573 N TRP A 37 -2.515 3.897 11.721 1.00 20.21 N ATOM 574 CA TRP A 37 -3.348 2.870 11.069 1.00 72.40 C ATOM 575 C TRP A 37 -4.632 2.647 11.878 1.00 12.21 C ATOM 576 O TRP A 37 -5.731 2.649 11.326 1.00 2.50 O ATOM 577 CB TRP A 37 -2.540 1.549 10.938 1.00 5.13 C ATOM 578 CG TRP A 37 -3.261 0.451 10.194 1.00 53.32 C ATOM 579 CD1 TRP A 37 -4.021 -0.554 10.727 1.00 30.10 C ATOM 580 CD2 TRP A 37 -3.292 0.261 8.773 1.00 44.54 C ATOM 581 NE1 TRP A 37 -4.516 -1.346 9.725 1.00 14.23 N ATOM 582 CE2 TRP A 37 -4.089 -0.866 8.520 1.00 22.13 C ATOM 583 CE3 TRP A 37 -2.728 0.939 7.694 1.00 23.13 C ATOM 584 CZ2 TRP A 37 -4.331 -1.328 7.234 1.00 14.41 C ATOM 585 CZ3 TRP A 37 -2.976 0.488 6.416 1.00 72.24 C ATOM 586 CH2 TRP A 37 -3.767 -0.639 6.195 1.00 15.14 C ATOM 0 H TRP A 37 -1.615 3.538 12.040 1.00 20.21 H new ATOM 0 HA TRP A 37 -3.627 3.207 10.071 1.00 72.40 H new ATOM 0 HB2 TRP A 37 -1.600 1.761 10.428 1.00 5.13 H new ATOM 0 HB3 TRP A 37 -2.288 1.191 11.936 1.00 5.13 H new ATOM 0 HD1 TRP A 37 -4.204 -0.701 11.781 1.00 30.10 H new ATOM 0 HE1 TRP A 37 -5.110 -2.165 9.858 1.00 14.23 H new ATOM 0 HE3 TRP A 37 -2.105 1.806 7.857 1.00 23.13 H new ATOM 0 HZ2 TRP A 37 -4.943 -2.201 7.059 1.00 14.41 H new ATOM 0 HZ3 TRP A 37 -2.552 1.015 5.574 1.00 72.24 H new ATOM 0 HH2 TRP A 37 -3.938 -0.975 5.183 1.00 15.14 H new ATOM 597 N LEU A 38 -4.457 2.467 13.195 1.00 60.13 N ATOM 598 CA LEU A 38 -5.571 2.283 14.141 1.00 20.40 C ATOM 599 C LEU A 38 -6.341 3.606 14.343 1.00 10.11 C ATOM 600 O LEU A 38 -7.508 3.597 14.744 1.00 73.30 O ATOM 601 CB LEU A 38 -5.037 1.751 15.503 1.00 62.34 C ATOM 602 CG LEU A 38 -4.191 0.442 15.437 1.00 25.23 C ATOM 603 CD1 LEU A 38 -3.657 0.053 16.828 1.00 24.44 C ATOM 604 CD2 LEU A 38 -4.974 -0.714 14.782 1.00 22.24 C ATOM 0 H LEU A 38 -3.538 2.445 13.637 1.00 60.13 H new ATOM 0 HA LEU A 38 -6.260 1.549 13.724 1.00 20.40 H new ATOM 0 HB2 LEU A 38 -4.430 2.531 15.963 1.00 62.34 H new ATOM 0 HB3 LEU A 38 -5.887 1.579 16.163 1.00 62.34 H new ATOM 0 HG LEU A 38 -3.330 0.642 14.799 1.00 25.23 H new ATOM 0 HD11 LEU A 38 -3.071 -0.863 16.750 1.00 24.44 H new ATOM 0 HD12 LEU A 38 -3.027 0.855 17.213 1.00 24.44 H new ATOM 0 HD13 LEU A 38 -4.494 -0.108 17.507 1.00 24.44 H new ATOM 0 HD21 LEU A 38 -4.350 -1.607 14.755 1.00 22.24 H new ATOM 0 HD22 LEU A 38 -5.874 -0.918 15.361 1.00 22.24 H new ATOM 0 HD23 LEU A 38 -5.252 -0.435 13.766 1.00 22.24 H new ATOM 616 N SER A 39 -5.659 4.738 14.070 1.00 51.23 N ATOM 617 CA SER A 39 -6.245 6.090 14.153 1.00 13.04 C ATOM 618 C SER A 39 -7.140 6.388 12.938 1.00 70.31 C ATOM 619 O SER A 39 -8.016 7.259 13.013 1.00 11.41 O ATOM 620 CB SER A 39 -5.118 7.149 14.260 1.00 34.03 C ATOM 621 OG SER A 39 -5.627 8.449 14.482 1.00 30.44 O ATOM 0 H SER A 39 -4.680 4.738 13.784 1.00 51.23 H new ATOM 0 HA SER A 39 -6.868 6.135 15.046 1.00 13.04 H new ATOM 0 HB2 SER A 39 -4.445 6.880 15.074 1.00 34.03 H new ATOM 0 HB3 SER A 39 -4.528 7.143 13.344 1.00 34.03 H new ATOM 0 HG SER A 39 -4.884 9.085 14.545 1.00 30.44 H new ATOM 627 N LEU A 40 -6.921 5.673 11.814 1.00 11.42 N ATOM 628 CA LEU A 40 -7.697 5.850 10.576 1.00 43.21 C ATOM 629 C LEU A 40 -8.566 4.612 10.330 1.00 42.41 C ATOM 630 O LEU A 40 -8.349 3.543 10.922 1.00 2.30 O ATOM 631 CB LEU A 40 -6.737 6.085 9.369 1.00 40.02 C ATOM 632 CG LEU A 40 -5.839 7.356 9.437 1.00 2.03 C ATOM 633 CD1 LEU A 40 -4.920 7.446 8.206 1.00 50.41 C ATOM 634 CD2 LEU A 40 -6.690 8.623 9.582 1.00 64.33 C ATOM 0 H LEU A 40 -6.199 4.956 11.743 1.00 11.42 H new ATOM 0 HA LEU A 40 -8.343 6.722 10.680 1.00 43.21 H new ATOM 0 HB2 LEU A 40 -6.089 5.214 9.273 1.00 40.02 H new ATOM 0 HB3 LEU A 40 -7.337 6.138 8.460 1.00 40.02 H new ATOM 0 HG LEU A 40 -5.208 7.275 10.322 1.00 2.03 H new ATOM 0 HD11 LEU A 40 -4.303 8.342 8.277 1.00 50.41 H new ATOM 0 HD12 LEU A 40 -4.278 6.566 8.166 1.00 50.41 H new ATOM 0 HD13 LEU A 40 -5.527 7.494 7.302 1.00 50.41 H new ATOM 0 HD21 LEU A 40 -6.038 9.496 9.627 1.00 64.33 H new ATOM 0 HD22 LEU A 40 -7.358 8.713 8.725 1.00 64.33 H new ATOM 0 HD23 LEU A 40 -7.280 8.563 10.497 1.00 64.33 H new ATOM 646 N LYS A 41 -9.544 4.767 9.440 1.00 61.30 N ATOM 647 CA LYS A 41 -10.450 3.696 9.016 1.00 70.31 C ATOM 648 C LYS A 41 -10.229 3.444 7.530 1.00 52.30 C ATOM 649 O LYS A 41 -9.876 4.379 6.793 1.00 71.14 O ATOM 650 CB LYS A 41 -11.921 4.091 9.320 1.00 23.24 C ATOM 651 CG LYS A 41 -12.233 4.243 10.826 1.00 63.23 C ATOM 652 CD LYS A 41 -12.159 2.903 11.594 1.00 54.31 C ATOM 653 CE LYS A 41 -13.245 1.914 11.146 1.00 65.02 C ATOM 654 NZ LYS A 41 -13.112 0.597 11.821 1.00 10.34 N ATOM 0 H LYS A 41 -9.735 5.659 8.983 1.00 61.30 H new ATOM 0 HA LYS A 41 -10.244 2.777 9.566 1.00 70.31 H new ATOM 0 HB2 LYS A 41 -12.145 5.031 8.816 1.00 23.24 H new ATOM 0 HB3 LYS A 41 -12.584 3.336 8.897 1.00 23.24 H new ATOM 0 HG2 LYS A 41 -11.530 4.949 11.268 1.00 63.23 H new ATOM 0 HG3 LYS A 41 -13.229 4.669 10.944 1.00 63.23 H new ATOM 0 HD2 LYS A 41 -11.177 2.454 11.443 1.00 54.31 H new ATOM 0 HD3 LYS A 41 -12.262 3.093 12.662 1.00 54.31 H new ATOM 0 HE2 LYS A 41 -14.228 2.333 11.360 1.00 65.02 H new ATOM 0 HE3 LYS A 41 -13.186 1.776 10.066 1.00 65.02 H new ATOM 0 HZ1 LYS A 41 -13.864 -0.040 11.490 1.00 10.34 H new ATOM 0 HZ2 LYS A 41 -12.184 0.184 11.596 1.00 10.34 H new ATOM 0 HZ3 LYS A 41 -13.194 0.724 12.850 1.00 10.34 H new ATOM 668 N VAL A 42 -10.399 2.176 7.111 1.00 13.45 N ATOM 669 CA VAL A 42 -10.154 1.741 5.725 1.00 4.13 C ATOM 670 C VAL A 42 -11.081 2.512 4.761 1.00 24.23 C ATOM 671 O VAL A 42 -12.302 2.345 4.798 1.00 71.10 O ATOM 672 CB VAL A 42 -10.352 0.183 5.558 1.00 62.31 C ATOM 673 CG1 VAL A 42 -10.042 -0.276 4.115 1.00 24.34 C ATOM 674 CG2 VAL A 42 -9.501 -0.607 6.582 1.00 32.21 C ATOM 0 H VAL A 42 -10.711 1.424 7.726 1.00 13.45 H new ATOM 0 HA VAL A 42 -9.116 1.964 5.480 1.00 4.13 H new ATOM 0 HB VAL A 42 -11.402 -0.032 5.758 1.00 62.31 H new ATOM 0 HG11 VAL A 42 -10.189 -1.353 4.036 1.00 24.34 H new ATOM 0 HG12 VAL A 42 -10.710 0.233 3.420 1.00 24.34 H new ATOM 0 HG13 VAL A 42 -9.008 -0.032 3.870 1.00 24.34 H new ATOM 0 HG21 VAL A 42 -9.660 -1.676 6.440 1.00 32.21 H new ATOM 0 HG22 VAL A 42 -8.446 -0.375 6.435 1.00 32.21 H new ATOM 0 HG23 VAL A 42 -9.796 -0.327 7.593 1.00 32.21 H new ATOM 684 N ALA A 43 -10.468 3.346 3.911 1.00 44.12 N ATOM 685 CA ALA A 43 -11.190 4.266 3.005 1.00 44.22 C ATOM 686 C ALA A 43 -11.623 3.526 1.728 1.00 74.31 C ATOM 687 O ALA A 43 -12.665 3.832 1.131 1.00 31.04 O ATOM 688 CB ALA A 43 -10.292 5.474 2.677 1.00 4.12 C ATOM 0 H ALA A 43 -9.453 3.406 3.828 1.00 44.12 H new ATOM 0 HA ALA A 43 -12.092 4.630 3.497 1.00 44.22 H new ATOM 0 HB1 ALA A 43 -10.824 6.152 2.009 1.00 4.12 H new ATOM 0 HB2 ALA A 43 -10.036 5.998 3.598 1.00 4.12 H new ATOM 0 HB3 ALA A 43 -9.380 5.128 2.191 1.00 4.12 H new ATOM 694 N HIS A 44 -10.797 2.550 1.324 1.00 22.13 N ATOM 695 CA HIS A 44 -11.055 1.658 0.190 1.00 43.34 C ATOM 696 C HIS A 44 -10.445 0.282 0.483 1.00 33.54 C ATOM 697 O HIS A 44 -9.379 0.199 1.086 1.00 32.20 O ATOM 698 CB HIS A 44 -10.432 2.260 -1.096 1.00 42.24 C ATOM 699 CG HIS A 44 -10.510 1.378 -2.324 1.00 73.31 C ATOM 700 ND1 HIS A 44 -11.574 1.448 -3.184 1.00 41.10 N ATOM 701 CD2 HIS A 44 -9.624 0.464 -2.804 1.00 11.05 C ATOM 702 CE1 HIS A 44 -11.315 0.594 -4.153 1.00 5.14 C ATOM 703 NE2 HIS A 44 -10.143 -0.022 -3.971 1.00 61.41 N ATOM 0 H HIS A 44 -9.910 2.356 1.790 1.00 22.13 H new ATOM 0 HA HIS A 44 -12.129 1.548 0.041 1.00 43.34 H new ATOM 0 HB2 HIS A 44 -10.931 3.204 -1.314 1.00 42.24 H new ATOM 0 HB3 HIS A 44 -9.385 2.490 -0.900 1.00 42.24 H new ATOM 0 HD1 HIS A 44 -12.399 2.041 -3.093 1.00 41.10 H new ATOM 0 HD2 HIS A 44 -8.688 0.177 -2.349 1.00 11.05 H new ATOM 0 HE1 HIS A 44 -11.970 0.414 -4.992 1.00 5.14 H new ATOM 711 N GLN A 45 -11.114 -0.786 0.021 1.00 51.23 N ATOM 712 CA GLN A 45 -10.578 -2.153 0.063 1.00 11.51 C ATOM 713 C GLN A 45 -10.975 -2.882 -1.225 1.00 53.01 C ATOM 714 O GLN A 45 -12.166 -2.974 -1.544 1.00 74.03 O ATOM 715 CB GLN A 45 -11.049 -2.934 1.315 1.00 61.05 C ATOM 716 CG GLN A 45 -10.368 -4.311 1.469 1.00 10.33 C ATOM 717 CD GLN A 45 -10.810 -5.062 2.719 1.00 3.13 C ATOM 718 OE1 GLN A 45 -11.775 -5.823 2.692 1.00 53.31 O ATOM 719 NE2 GLN A 45 -10.115 -4.844 3.827 1.00 1.05 N ATOM 0 H GLN A 45 -12.044 -0.724 -0.393 1.00 51.23 H new ATOM 0 HA GLN A 45 -9.492 -2.095 0.134 1.00 11.51 H new ATOM 0 HB2 GLN A 45 -10.849 -2.336 2.204 1.00 61.05 H new ATOM 0 HB3 GLN A 45 -12.129 -3.074 1.262 1.00 61.05 H new ATOM 0 HG2 GLN A 45 -10.588 -4.918 0.591 1.00 10.33 H new ATOM 0 HG3 GLN A 45 -9.287 -4.173 1.499 1.00 10.33 H new ATOM 0 HE21 GLN A 45 -9.320 -4.206 3.813 1.00 1.05 H new ATOM 0 HE22 GLN A 45 -10.376 -5.315 4.694 1.00 1.05 H new ATOM 728 N GLN A 46 -9.968 -3.383 -1.954 1.00 33.24 N ATOM 729 CA GLN A 46 -10.122 -3.973 -3.287 1.00 4.42 C ATOM 730 C GLN A 46 -9.631 -5.426 -3.286 1.00 41.13 C ATOM 731 O GLN A 46 -8.515 -5.704 -2.863 1.00 1.34 O ATOM 732 CB GLN A 46 -9.314 -3.126 -4.291 1.00 71.34 C ATOM 733 CG GLN A 46 -9.519 -3.489 -5.763 1.00 30.21 C ATOM 734 CD GLN A 46 -8.870 -2.489 -6.711 1.00 63.41 C ATOM 735 OE1 GLN A 46 -8.749 -1.306 -6.400 1.00 50.20 O ATOM 736 NE2 GLN A 46 -8.457 -2.945 -7.870 1.00 0.35 N ATOM 0 H GLN A 46 -9.003 -3.388 -1.624 1.00 33.24 H new ATOM 0 HA GLN A 46 -11.174 -3.978 -3.574 1.00 4.42 H new ATOM 0 HB2 GLN A 46 -9.577 -2.077 -4.152 1.00 71.34 H new ATOM 0 HB3 GLN A 46 -8.255 -3.223 -4.054 1.00 71.34 H new ATOM 0 HG2 GLN A 46 -9.106 -4.481 -5.949 1.00 30.21 H new ATOM 0 HG3 GLN A 46 -10.587 -3.543 -5.974 1.00 30.21 H new ATOM 0 HE21 GLN A 46 -8.571 -3.932 -8.100 1.00 0.35 H new ATOM 0 HE22 GLN A 46 -8.022 -2.312 -8.541 1.00 0.35 H new ATOM 745 N VAL A 47 -10.472 -6.350 -3.760 1.00 42.32 N ATOM 746 CA VAL A 47 -10.167 -7.787 -3.800 1.00 30.42 C ATOM 747 C VAL A 47 -9.839 -8.213 -5.240 1.00 25.42 C ATOM 748 O VAL A 47 -10.689 -8.099 -6.132 1.00 44.10 O ATOM 749 CB VAL A 47 -11.374 -8.616 -3.245 1.00 53.23 C ATOM 750 CG1 VAL A 47 -11.103 -10.124 -3.344 1.00 63.42 C ATOM 751 CG2 VAL A 47 -11.722 -8.193 -1.795 1.00 71.54 C ATOM 0 H VAL A 47 -11.394 -6.121 -4.131 1.00 42.32 H new ATOM 0 HA VAL A 47 -9.299 -7.981 -3.170 1.00 30.42 H new ATOM 0 HB VAL A 47 -12.243 -8.400 -3.866 1.00 53.23 H new ATOM 0 HG11 VAL A 47 -11.958 -10.674 -2.951 1.00 63.42 H new ATOM 0 HG12 VAL A 47 -10.944 -10.397 -4.387 1.00 63.42 H new ATOM 0 HG13 VAL A 47 -10.214 -10.373 -2.764 1.00 63.42 H new ATOM 0 HG21 VAL A 47 -12.564 -8.785 -1.435 1.00 71.54 H new ATOM 0 HG22 VAL A 47 -10.859 -8.360 -1.150 1.00 71.54 H new ATOM 0 HG23 VAL A 47 -11.988 -7.136 -1.778 1.00 71.54 H new ATOM 761 N LEU A 48 -8.608 -8.705 -5.458 1.00 51.11 N ATOM 762 CA LEU A 48 -8.077 -9.017 -6.793 1.00 31.23 C ATOM 763 C LEU A 48 -7.501 -10.441 -6.824 1.00 31.52 C ATOM 764 O LEU A 48 -6.635 -10.764 -6.015 1.00 12.03 O ATOM 765 CB LEU A 48 -6.980 -7.990 -7.181 1.00 73.34 C ATOM 766 CG LEU A 48 -7.463 -6.526 -7.353 1.00 53.10 C ATOM 767 CD1 LEU A 48 -6.296 -5.600 -7.731 1.00 12.21 C ATOM 768 CD2 LEU A 48 -8.602 -6.447 -8.385 1.00 21.33 C ATOM 0 H LEU A 48 -7.948 -8.899 -4.705 1.00 51.11 H new ATOM 0 HA LEU A 48 -8.892 -8.957 -7.514 1.00 31.23 H new ATOM 0 HB2 LEU A 48 -6.203 -8.010 -6.417 1.00 73.34 H new ATOM 0 HB3 LEU A 48 -6.518 -8.313 -8.114 1.00 73.34 H new ATOM 0 HG LEU A 48 -7.856 -6.182 -6.396 1.00 53.10 H new ATOM 0 HD11 LEU A 48 -6.663 -4.580 -7.845 1.00 12.21 H new ATOM 0 HD12 LEU A 48 -5.540 -5.628 -6.946 1.00 12.21 H new ATOM 0 HD13 LEU A 48 -5.856 -5.934 -8.670 1.00 12.21 H new ATOM 0 HD21 LEU A 48 -8.926 -5.412 -8.491 1.00 21.33 H new ATOM 0 HD22 LEU A 48 -8.247 -6.816 -9.347 1.00 21.33 H new ATOM 0 HD23 LEU A 48 -9.440 -7.057 -8.049 1.00 21.33 H new ATOM 780 N PRO A 49 -7.962 -11.318 -7.765 1.00 73.43 N ATOM 781 CA PRO A 49 -7.395 -12.674 -7.929 1.00 41.53 C ATOM 782 C PRO A 49 -5.989 -12.603 -8.593 1.00 51.23 C ATOM 783 O PRO A 49 -5.885 -12.355 -9.802 1.00 31.55 O ATOM 784 CB PRO A 49 -8.443 -13.377 -8.835 1.00 42.22 C ATOM 785 CG PRO A 49 -9.052 -12.268 -9.650 1.00 10.10 C ATOM 786 CD PRO A 49 -9.052 -11.043 -8.749 1.00 72.53 C ATOM 0 HA PRO A 49 -7.234 -13.206 -6.991 1.00 41.53 H new ATOM 0 HB2 PRO A 49 -7.975 -14.126 -9.474 1.00 42.22 H new ATOM 0 HB3 PRO A 49 -9.198 -13.892 -8.241 1.00 42.22 H new ATOM 0 HG2 PRO A 49 -8.475 -12.087 -10.556 1.00 10.10 H new ATOM 0 HG3 PRO A 49 -10.064 -12.523 -9.963 1.00 10.10 H new ATOM 0 HD2 PRO A 49 -8.858 -10.132 -9.315 1.00 72.53 H new ATOM 0 HD3 PRO A 49 -10.014 -10.912 -8.253 1.00 72.53 H new ATOM 794 N TRP A 50 -4.916 -12.768 -7.771 1.00 24.12 N ATOM 795 CA TRP A 50 -3.517 -12.638 -8.236 1.00 52.44 C ATOM 796 C TRP A 50 -3.224 -13.618 -9.394 1.00 60.33 C ATOM 797 O TRP A 50 -3.473 -14.826 -9.286 1.00 25.14 O ATOM 798 CB TRP A 50 -2.485 -12.841 -7.076 1.00 70.24 C ATOM 799 CG TRP A 50 -1.031 -12.687 -7.541 1.00 73.15 C ATOM 800 CD1 TRP A 50 -0.222 -13.669 -8.054 1.00 15.05 C ATOM 801 CD2 TRP A 50 -0.233 -11.488 -7.558 1.00 35.23 C ATOM 802 NE1 TRP A 50 0.993 -13.149 -8.416 1.00 32.12 N ATOM 803 CE2 TRP A 50 1.020 -11.823 -8.110 1.00 21.43 C ATOM 804 CE3 TRP A 50 -0.451 -10.167 -7.168 1.00 53.00 C ATOM 805 CZ2 TRP A 50 2.039 -10.888 -8.287 1.00 4.43 C ATOM 806 CZ3 TRP A 50 0.566 -9.242 -7.332 1.00 33.22 C ATOM 807 CH2 TRP A 50 1.800 -9.606 -7.888 1.00 22.40 C ATOM 0 H TRP A 50 -5.000 -12.992 -6.780 1.00 24.12 H new ATOM 0 HA TRP A 50 -3.401 -11.618 -8.602 1.00 52.44 H new ATOM 0 HB2 TRP A 50 -2.687 -12.119 -6.285 1.00 70.24 H new ATOM 0 HB3 TRP A 50 -2.621 -13.833 -6.644 1.00 70.24 H new ATOM 0 HD1 TRP A 50 -0.503 -14.707 -8.158 1.00 15.05 H new ATOM 0 HE1 TRP A 50 1.756 -13.672 -8.846 1.00 32.12 H new ATOM 0 HE3 TRP A 50 -1.399 -9.870 -6.744 1.00 53.00 H new ATOM 0 HZ2 TRP A 50 2.985 -11.169 -8.725 1.00 4.43 H new ATOM 0 HZ3 TRP A 50 0.405 -8.219 -7.025 1.00 33.22 H new ATOM 0 HH2 TRP A 50 2.573 -8.860 -8.002 1.00 22.40 H new ATOM 818 N ARG A 51 -2.656 -13.067 -10.476 1.00 1.52 N ATOM 819 CA ARG A 51 -2.357 -13.790 -11.711 1.00 31.31 C ATOM 820 C ARG A 51 -1.001 -14.507 -11.595 1.00 31.05 C ATOM 821 O ARG A 51 0.046 -13.854 -11.479 1.00 71.21 O ATOM 822 CB ARG A 51 -2.343 -12.773 -12.887 1.00 34.11 C ATOM 823 CG ARG A 51 -1.921 -13.350 -14.249 1.00 52.24 C ATOM 824 CD ARG A 51 -1.874 -12.283 -15.351 1.00 52.53 C ATOM 825 NE ARG A 51 -1.533 -12.854 -16.665 1.00 4.33 N ATOM 826 CZ ARG A 51 -2.343 -12.869 -17.733 1.00 52.52 C ATOM 827 NH1 ARG A 51 -3.560 -12.335 -17.682 1.00 65.21 N ATOM 828 NH2 ARG A 51 -1.917 -13.387 -18.874 1.00 63.04 N ATOM 0 H ARG A 51 -2.387 -12.084 -10.513 1.00 1.52 H new ATOM 0 HA ARG A 51 -3.119 -14.548 -11.893 1.00 31.31 H new ATOM 0 HB2 ARG A 51 -3.340 -12.343 -12.986 1.00 34.11 H new ATOM 0 HB3 ARG A 51 -1.668 -11.956 -12.632 1.00 34.11 H new ATOM 0 HG2 ARG A 51 -0.939 -13.814 -14.155 1.00 52.24 H new ATOM 0 HG3 ARG A 51 -2.618 -14.136 -14.539 1.00 52.24 H new ATOM 0 HD2 ARG A 51 -2.842 -11.785 -15.413 1.00 52.53 H new ATOM 0 HD3 ARG A 51 -1.140 -11.522 -15.086 1.00 52.53 H new ATOM 0 HE ARG A 51 -0.608 -13.271 -16.771 1.00 4.33 H new ATOM 0 HH11 ARG A 51 -3.892 -11.904 -16.819 1.00 65.21 H new ATOM 0 HH12 ARG A 51 -4.161 -12.356 -18.506 1.00 65.21 H new ATOM 0 HH21 ARG A 51 -0.975 -13.773 -18.939 1.00 63.04 H new ATOM 0 HH22 ARG A 51 -2.531 -13.400 -19.689 1.00 63.04 H new ATOM 842 N GLY A 52 -1.061 -15.853 -11.557 1.00 43.31 N ATOM 843 CA GLY A 52 0.122 -16.712 -11.662 1.00 5.34 C ATOM 844 C GLY A 52 1.003 -16.673 -10.416 1.00 12.03 C ATOM 845 O GLY A 52 0.503 -16.489 -9.301 1.00 43.13 O ATOM 0 H GLY A 52 -1.934 -16.370 -11.452 1.00 43.31 H new ATOM 0 HA2 GLY A 52 -0.197 -17.739 -11.842 1.00 5.34 H new ATOM 0 HA3 GLY A 52 0.711 -16.405 -12.526 1.00 5.34 H new ATOM 849 N GLU A 53 2.323 -16.823 -10.632 1.00 41.13 N ATOM 850 CA GLU A 53 3.338 -16.869 -9.559 1.00 15.52 C ATOM 851 C GLU A 53 3.542 -15.479 -8.937 1.00 65.11 C ATOM 852 O GLU A 53 3.523 -14.461 -9.641 1.00 0.40 O ATOM 853 CB GLU A 53 4.671 -17.442 -10.124 1.00 21.20 C ATOM 854 CG GLU A 53 5.223 -16.709 -11.360 1.00 41.24 C ATOM 855 CD GLU A 53 6.392 -17.457 -12.025 1.00 15.15 C ATOM 856 OE1 GLU A 53 6.137 -18.306 -12.908 1.00 52.04 O ATOM 857 OE2 GLU A 53 7.561 -17.201 -11.677 1.00 20.01 O ATOM 0 H GLU A 53 2.721 -16.917 -11.566 1.00 41.13 H new ATOM 0 HA GLU A 53 2.987 -17.528 -8.765 1.00 15.52 H new ATOM 0 HB2 GLU A 53 5.424 -17.413 -9.337 1.00 21.20 H new ATOM 0 HB3 GLU A 53 4.518 -18.490 -10.380 1.00 21.20 H new ATOM 0 HG2 GLU A 53 4.421 -16.578 -12.087 1.00 41.24 H new ATOM 0 HG3 GLU A 53 5.555 -15.713 -11.068 1.00 41.24 H new ATOM 864 N PHE A 54 3.690 -15.454 -7.604 1.00 45.20 N ATOM 865 CA PHE A 54 3.868 -14.222 -6.829 1.00 35.23 C ATOM 866 C PHE A 54 5.359 -13.958 -6.566 1.00 11.22 C ATOM 867 O PHE A 54 6.114 -14.886 -6.265 1.00 23.33 O ATOM 868 CB PHE A 54 3.094 -14.319 -5.485 1.00 4.23 C ATOM 869 CG PHE A 54 3.260 -13.095 -4.602 1.00 11.15 C ATOM 870 CD1 PHE A 54 2.781 -11.861 -5.022 1.00 64.01 C ATOM 871 CD2 PHE A 54 3.922 -13.164 -3.383 1.00 65.50 C ATOM 872 CE1 PHE A 54 2.964 -10.736 -4.267 1.00 33.21 C ATOM 873 CE2 PHE A 54 4.094 -12.038 -2.624 1.00 52.31 C ATOM 874 CZ PHE A 54 3.616 -10.822 -3.073 1.00 54.52 C ATOM 0 H PHE A 54 3.689 -16.298 -7.031 1.00 45.20 H new ATOM 0 HA PHE A 54 3.468 -13.389 -7.407 1.00 35.23 H new ATOM 0 HB2 PHE A 54 2.034 -14.465 -5.695 1.00 4.23 H new ATOM 0 HB3 PHE A 54 3.436 -15.199 -4.941 1.00 4.23 H new ATOM 0 HD1 PHE A 54 2.254 -11.789 -5.962 1.00 64.01 H new ATOM 0 HD2 PHE A 54 4.303 -14.112 -3.032 1.00 65.50 H new ATOM 0 HE1 PHE A 54 2.594 -9.783 -4.615 1.00 33.21 H new ATOM 0 HE2 PHE A 54 4.604 -12.100 -1.674 1.00 52.31 H new ATOM 0 HZ PHE A 54 3.760 -9.935 -2.475 1.00 54.52 H new ATOM 884 N HIS A 55 5.768 -12.674 -6.675 1.00 20.11 N ATOM 885 CA HIS A 55 7.154 -12.227 -6.399 1.00 1.11 C ATOM 886 C HIS A 55 7.137 -10.949 -5.524 1.00 23.52 C ATOM 887 O HIS A 55 6.899 -9.852 -6.048 1.00 21.14 O ATOM 888 CB HIS A 55 7.918 -11.960 -7.727 1.00 1.43 C ATOM 889 CG HIS A 55 7.960 -13.128 -8.677 1.00 35.11 C ATOM 890 ND1 HIS A 55 7.552 -13.024 -9.975 1.00 74.51 N ATOM 891 CD2 HIS A 55 8.355 -14.419 -8.512 1.00 13.31 C ATOM 892 CE1 HIS A 55 7.703 -14.177 -10.578 1.00 63.02 C ATOM 893 NE2 HIS A 55 8.177 -15.037 -9.710 1.00 70.43 N ATOM 0 H HIS A 55 5.146 -11.916 -6.957 1.00 20.11 H new ATOM 0 HA HIS A 55 7.672 -13.019 -5.858 1.00 1.11 H new ATOM 0 HB2 HIS A 55 7.453 -11.114 -8.234 1.00 1.43 H new ATOM 0 HB3 HIS A 55 8.940 -11.666 -7.489 1.00 1.43 H new ATOM 0 HD2 HIS A 55 8.736 -14.866 -7.606 1.00 13.31 H new ATOM 0 HE1 HIS A 55 7.476 -14.384 -11.613 1.00 63.02 H new ATOM 0 HE2 HIS A 55 8.381 -16.018 -9.903 1.00 70.43 H new ATOM 902 N PRO A 56 7.371 -11.061 -4.170 1.00 4.11 N ATOM 903 CA PRO A 56 7.390 -9.886 -3.253 1.00 13.21 C ATOM 904 C PRO A 56 8.607 -8.970 -3.469 1.00 52.44 C ATOM 905 O PRO A 56 8.512 -7.763 -3.253 1.00 30.12 O ATOM 906 CB PRO A 56 7.409 -10.522 -1.842 1.00 23.42 C ATOM 907 CG PRO A 56 8.032 -11.871 -2.040 1.00 41.30 C ATOM 908 CD PRO A 56 7.613 -12.333 -3.425 1.00 75.32 C ATOM 0 HA PRO A 56 6.534 -9.232 -3.422 1.00 13.21 H new ATOM 0 HB2 PRO A 56 7.987 -9.918 -1.143 1.00 23.42 H new ATOM 0 HB3 PRO A 56 6.402 -10.607 -1.433 1.00 23.42 H new ATOM 0 HG2 PRO A 56 9.118 -11.814 -1.961 1.00 41.30 H new ATOM 0 HG3 PRO A 56 7.693 -12.572 -1.277 1.00 41.30 H new ATOM 0 HD2 PRO A 56 8.391 -12.932 -3.899 1.00 75.32 H new ATOM 0 HD3 PRO A 56 6.715 -12.950 -3.386 1.00 75.32 H new ATOM 916 N ASP A 57 9.750 -9.571 -3.875 1.00 44.12 N ATOM 917 CA ASP A 57 10.999 -8.821 -4.162 1.00 43.00 C ATOM 918 C ASP A 57 10.777 -7.859 -5.331 1.00 2.32 C ATOM 919 O ASP A 57 11.095 -6.677 -5.242 1.00 62.32 O ATOM 920 CB ASP A 57 12.176 -9.785 -4.489 1.00 30.05 C ATOM 921 CG ASP A 57 12.547 -10.706 -3.316 1.00 73.21 C ATOM 922 OD1 ASP A 57 11.776 -11.654 -3.026 1.00 42.22 O ATOM 923 OD2 ASP A 57 13.602 -10.501 -2.680 1.00 40.23 O ATOM 0 H ASP A 57 9.834 -10.578 -4.012 1.00 44.12 H new ATOM 0 HA ASP A 57 11.262 -8.254 -3.269 1.00 43.00 H new ATOM 0 HB2 ASP A 57 11.908 -10.395 -5.351 1.00 30.05 H new ATOM 0 HB3 ASP A 57 13.050 -9.198 -4.773 1.00 30.05 H new ATOM 928 N THR A 58 10.174 -8.395 -6.405 1.00 64.42 N ATOM 929 CA THR A 58 9.896 -7.652 -7.641 1.00 53.53 C ATOM 930 C THR A 58 8.842 -6.560 -7.379 1.00 11.25 C ATOM 931 O THR A 58 8.971 -5.422 -7.857 1.00 63.21 O ATOM 932 CB THR A 58 9.406 -8.628 -8.760 1.00 20.12 C ATOM 933 OG1 THR A 58 10.340 -9.719 -8.890 1.00 12.22 O ATOM 934 CG2 THR A 58 9.246 -7.936 -10.130 1.00 1.12 C ATOM 0 H THR A 58 9.864 -9.366 -6.438 1.00 64.42 H new ATOM 0 HA THR A 58 10.815 -7.173 -7.978 1.00 53.53 H new ATOM 0 HB THR A 58 8.423 -8.990 -8.459 1.00 20.12 H new ATOM 0 HG1 THR A 58 10.032 -10.332 -9.590 1.00 12.22 H new ATOM 0 HG21 THR A 58 8.904 -8.663 -10.867 1.00 1.12 H new ATOM 0 HG22 THR A 58 8.516 -7.131 -10.048 1.00 1.12 H new ATOM 0 HG23 THR A 58 10.205 -7.525 -10.444 1.00 1.12 H new ATOM 942 N LEU A 59 7.817 -6.935 -6.576 1.00 54.00 N ATOM 943 CA LEU A 59 6.724 -6.040 -6.182 1.00 72.51 C ATOM 944 C LEU A 59 7.276 -4.825 -5.411 1.00 43.30 C ATOM 945 O LEU A 59 7.034 -3.685 -5.809 1.00 41.41 O ATOM 946 CB LEU A 59 5.673 -6.811 -5.339 1.00 23.53 C ATOM 947 CG LEU A 59 4.385 -6.020 -4.938 1.00 4.14 C ATOM 948 CD1 LEU A 59 3.628 -5.490 -6.175 1.00 65.41 C ATOM 949 CD2 LEU A 59 3.467 -6.883 -4.050 1.00 23.04 C ATOM 0 H LEU A 59 7.733 -7.874 -6.186 1.00 54.00 H new ATOM 0 HA LEU A 59 6.230 -5.671 -7.080 1.00 72.51 H new ATOM 0 HB2 LEU A 59 5.370 -7.696 -5.898 1.00 23.53 H new ATOM 0 HB3 LEU A 59 6.157 -7.160 -4.427 1.00 23.53 H new ATOM 0 HG LEU A 59 4.700 -5.152 -4.359 1.00 4.14 H new ATOM 0 HD11 LEU A 59 2.740 -4.947 -5.853 1.00 65.41 H new ATOM 0 HD12 LEU A 59 4.277 -4.821 -6.740 1.00 65.41 H new ATOM 0 HD13 LEU A 59 3.332 -6.327 -6.807 1.00 65.41 H new ATOM 0 HD21 LEU A 59 2.577 -6.312 -3.783 1.00 23.04 H new ATOM 0 HD22 LEU A 59 3.173 -7.780 -4.595 1.00 23.04 H new ATOM 0 HD23 LEU A 59 4.001 -7.168 -3.143 1.00 23.04 H new ATOM 961 N GLN A 60 8.088 -5.113 -4.369 1.00 12.23 N ATOM 962 CA GLN A 60 8.663 -4.099 -3.466 1.00 22.31 C ATOM 963 C GLN A 60 9.555 -3.109 -4.228 1.00 23.11 C ATOM 964 O GLN A 60 9.439 -1.897 -4.039 1.00 15.11 O ATOM 965 CB GLN A 60 9.493 -4.785 -2.350 1.00 32.25 C ATOM 966 CG GLN A 60 10.130 -3.807 -1.338 1.00 43.21 C ATOM 967 CD GLN A 60 10.931 -4.498 -0.240 1.00 43.33 C ATOM 968 OE1 GLN A 60 11.479 -5.581 -0.437 1.00 64.51 O ATOM 969 NE2 GLN A 60 11.035 -3.864 0.912 1.00 40.13 N ATOM 0 H GLN A 60 8.363 -6.066 -4.132 1.00 12.23 H new ATOM 0 HA GLN A 60 7.835 -3.546 -3.022 1.00 22.31 H new ATOM 0 HB2 GLN A 60 8.850 -5.480 -1.810 1.00 32.25 H new ATOM 0 HB3 GLN A 60 10.283 -5.376 -2.813 1.00 32.25 H new ATOM 0 HG2 GLN A 60 10.783 -3.118 -1.874 1.00 43.21 H new ATOM 0 HG3 GLN A 60 9.343 -3.208 -0.880 1.00 43.21 H new ATOM 0 HE21 GLN A 60 10.568 -2.967 1.044 1.00 40.13 H new ATOM 0 HE22 GLN A 60 11.582 -4.271 1.671 1.00 40.13 H new ATOM 978 N MET A 61 10.444 -3.652 -5.082 1.00 73.13 N ATOM 979 CA MET A 61 11.407 -2.848 -5.857 1.00 72.41 C ATOM 980 C MET A 61 10.689 -1.899 -6.837 1.00 22.30 C ATOM 981 O MET A 61 11.118 -0.761 -7.015 1.00 52.52 O ATOM 982 CB MET A 61 12.411 -3.767 -6.603 1.00 64.24 C ATOM 983 CG MET A 61 13.347 -4.545 -5.670 1.00 25.31 C ATOM 984 SD MET A 61 14.359 -5.742 -6.568 1.00 55.02 S ATOM 985 CE MET A 61 15.249 -6.522 -5.221 1.00 4.04 C ATOM 0 H MET A 61 10.514 -4.655 -5.253 1.00 73.13 H new ATOM 0 HA MET A 61 11.967 -2.229 -5.156 1.00 72.41 H new ATOM 0 HB2 MET A 61 11.854 -4.475 -7.217 1.00 64.24 H new ATOM 0 HB3 MET A 61 13.011 -3.160 -7.281 1.00 64.24 H new ATOM 0 HG2 MET A 61 13.996 -3.846 -5.142 1.00 25.31 H new ATOM 0 HG3 MET A 61 12.757 -5.064 -4.915 1.00 25.31 H new ATOM 0 HE1 MET A 61 15.916 -7.286 -5.620 1.00 4.04 H new ATOM 0 HE2 MET A 61 15.834 -5.772 -4.689 1.00 4.04 H new ATOM 0 HE3 MET A 61 14.539 -6.983 -4.534 1.00 4.04 H new ATOM 995 N ALA A 62 9.566 -2.370 -7.428 1.00 40.44 N ATOM 996 CA ALA A 62 8.753 -1.556 -8.360 1.00 30.22 C ATOM 997 C ALA A 62 8.003 -0.447 -7.600 1.00 53.21 C ATOM 998 O ALA A 62 7.873 0.679 -8.098 1.00 50.31 O ATOM 999 CB ALA A 62 7.772 -2.442 -9.135 1.00 43.12 C ATOM 0 H ALA A 62 9.203 -3.311 -7.275 1.00 40.44 H new ATOM 0 HA ALA A 62 9.424 -1.083 -9.077 1.00 30.22 H new ATOM 0 HB1 ALA A 62 7.184 -1.825 -9.815 1.00 43.12 H new ATOM 0 HB2 ALA A 62 8.327 -3.185 -9.708 1.00 43.12 H new ATOM 0 HB3 ALA A 62 7.106 -2.947 -8.435 1.00 43.12 H new ATOM 1005 N LEU A 63 7.535 -0.787 -6.374 1.00 63.52 N ATOM 1006 CA LEU A 63 6.897 0.174 -5.446 1.00 75.15 C ATOM 1007 C LEU A 63 7.872 1.321 -5.109 1.00 70.33 C ATOM 1008 O LEU A 63 7.490 2.485 -5.132 1.00 44.35 O ATOM 1009 CB LEU A 63 6.424 -0.551 -4.149 1.00 55.14 C ATOM 1010 CG LEU A 63 5.251 -1.564 -4.337 1.00 33.41 C ATOM 1011 CD1 LEU A 63 5.107 -2.503 -3.124 1.00 55.02 C ATOM 1012 CD2 LEU A 63 3.925 -0.838 -4.638 1.00 22.50 C ATOM 0 H LEU A 63 7.590 -1.735 -6.003 1.00 63.52 H new ATOM 0 HA LEU A 63 6.021 0.601 -5.934 1.00 75.15 H new ATOM 0 HB2 LEU A 63 7.274 -1.081 -3.719 1.00 55.14 H new ATOM 0 HB3 LEU A 63 6.118 0.202 -3.423 1.00 55.14 H new ATOM 0 HG LEU A 63 5.496 -2.183 -5.200 1.00 33.41 H new ATOM 0 HD11 LEU A 63 4.280 -3.193 -3.294 1.00 55.02 H new ATOM 0 HD12 LEU A 63 6.029 -3.068 -2.990 1.00 55.02 H new ATOM 0 HD13 LEU A 63 4.910 -1.913 -2.229 1.00 55.02 H new ATOM 0 HD21 LEU A 63 3.129 -1.572 -4.763 1.00 22.50 H new ATOM 0 HD22 LEU A 63 3.678 -0.173 -3.810 1.00 22.50 H new ATOM 0 HD23 LEU A 63 4.029 -0.255 -5.553 1.00 22.50 H new ATOM 1024 N GLN A 64 9.140 0.964 -4.827 1.00 52.10 N ATOM 1025 CA GLN A 64 10.232 1.936 -4.606 1.00 63.24 C ATOM 1026 C GLN A 64 10.428 2.874 -5.826 1.00 43.52 C ATOM 1027 O GLN A 64 10.689 4.073 -5.646 1.00 32.33 O ATOM 1028 CB GLN A 64 11.556 1.186 -4.284 1.00 12.42 C ATOM 1029 CG GLN A 64 11.528 0.346 -2.986 1.00 30.14 C ATOM 1030 CD GLN A 64 11.492 1.184 -1.706 1.00 4.23 C ATOM 1031 OE1 GLN A 64 12.536 1.523 -1.142 1.00 53.53 O ATOM 1032 NE2 GLN A 64 10.305 1.535 -1.237 1.00 50.22 N ATOM 0 H GLN A 64 9.438 -0.008 -4.746 1.00 52.10 H new ATOM 0 HA GLN A 64 9.953 2.560 -3.756 1.00 63.24 H new ATOM 0 HB2 GLN A 64 11.797 0.529 -5.120 1.00 12.42 H new ATOM 0 HB3 GLN A 64 12.362 1.916 -4.210 1.00 12.42 H new ATOM 0 HG2 GLN A 64 10.655 -0.307 -3.006 1.00 30.14 H new ATOM 0 HG3 GLN A 64 12.407 -0.298 -2.962 1.00 30.14 H new ATOM 0 HE21 GLN A 64 9.458 1.241 -1.723 1.00 50.22 H new ATOM 0 HE22 GLN A 64 10.238 2.099 -0.390 1.00 50.22 H new ATOM 1041 N VAL A 65 10.270 2.334 -7.066 1.00 22.34 N ATOM 1042 CA VAL A 65 10.420 3.123 -8.320 1.00 4.43 C ATOM 1043 C VAL A 65 9.328 4.214 -8.438 1.00 25.02 C ATOM 1044 O VAL A 65 9.566 5.294 -8.995 1.00 11.43 O ATOM 1045 CB VAL A 65 10.398 2.194 -9.603 1.00 10.21 C ATOM 1046 CG1 VAL A 65 10.516 3.008 -10.914 1.00 25.23 C ATOM 1047 CG2 VAL A 65 11.512 1.129 -9.532 1.00 64.23 C ATOM 0 H VAL A 65 10.038 1.353 -7.223 1.00 22.34 H new ATOM 0 HA VAL A 65 11.393 3.611 -8.268 1.00 4.43 H new ATOM 0 HB VAL A 65 9.431 1.691 -9.613 1.00 10.21 H new ATOM 0 HG11 VAL A 65 10.497 2.329 -11.767 1.00 25.23 H new ATOM 0 HG12 VAL A 65 9.681 3.705 -10.986 1.00 25.23 H new ATOM 0 HG13 VAL A 65 11.454 3.564 -10.914 1.00 25.23 H new ATOM 0 HG21 VAL A 65 11.475 0.504 -10.424 1.00 64.23 H new ATOM 0 HG22 VAL A 65 12.483 1.621 -9.473 1.00 64.23 H new ATOM 0 HG23 VAL A 65 11.366 0.508 -8.648 1.00 64.23 H new ATOM 1057 N VAL A 66 8.146 3.944 -7.864 1.00 75.34 N ATOM 1058 CA VAL A 66 7.003 4.885 -7.895 1.00 43.33 C ATOM 1059 C VAL A 66 6.853 5.615 -6.535 1.00 13.31 C ATOM 1060 O VAL A 66 5.783 6.163 -6.234 1.00 35.32 O ATOM 1061 CB VAL A 66 5.673 4.145 -8.316 1.00 22.24 C ATOM 1062 CG1 VAL A 66 5.789 3.583 -9.758 1.00 12.21 C ATOM 1063 CG2 VAL A 66 5.307 3.022 -7.322 1.00 72.43 C ATOM 0 H VAL A 66 7.950 3.075 -7.367 1.00 75.34 H new ATOM 0 HA VAL A 66 7.203 5.644 -8.651 1.00 43.33 H new ATOM 0 HB VAL A 66 4.868 4.880 -8.294 1.00 22.24 H new ATOM 0 HG11 VAL A 66 4.862 3.077 -10.027 1.00 12.21 H new ATOM 0 HG12 VAL A 66 5.971 4.402 -10.454 1.00 12.21 H new ATOM 0 HG13 VAL A 66 6.616 2.875 -9.807 1.00 12.21 H new ATOM 0 HG21 VAL A 66 4.386 2.536 -7.645 1.00 72.43 H new ATOM 0 HG22 VAL A 66 6.112 2.288 -7.289 1.00 72.43 H new ATOM 0 HG23 VAL A 66 5.163 3.448 -6.329 1.00 72.43 H new ATOM 1073 N ASN A 67 7.955 5.620 -5.741 1.00 24.13 N ATOM 1074 CA ASN A 67 8.097 6.418 -4.484 1.00 72.45 C ATOM 1075 C ASN A 67 7.131 5.962 -3.369 1.00 62.03 C ATOM 1076 O ASN A 67 6.767 6.752 -2.490 1.00 3.23 O ATOM 1077 CB ASN A 67 7.925 7.944 -4.766 1.00 30.15 C ATOM 1078 CG ASN A 67 9.011 8.545 -5.663 1.00 43.44 C ATOM 1079 OD1 ASN A 67 10.171 8.132 -5.626 1.00 75.42 O ATOM 1080 ND2 ASN A 67 8.648 9.551 -6.457 1.00 14.32 N ATOM 0 H ASN A 67 8.783 5.064 -5.954 1.00 24.13 H new ATOM 0 HA ASN A 67 9.108 6.237 -4.120 1.00 72.45 H new ATOM 0 HB2 ASN A 67 6.953 8.108 -5.232 1.00 30.15 H new ATOM 0 HB3 ASN A 67 7.918 8.479 -3.816 1.00 30.15 H new ATOM 0 HD21 ASN A 67 9.339 10.002 -7.057 1.00 14.32 H new ATOM 0 HD22 ASN A 67 7.679 9.870 -6.465 1.00 14.32 H new ATOM 1087 N ILE A 68 6.764 4.676 -3.391 1.00 20.14 N ATOM 1088 CA ILE A 68 5.965 4.042 -2.329 1.00 51.35 C ATOM 1089 C ILE A 68 6.936 3.329 -1.374 1.00 23.20 C ATOM 1090 O ILE A 68 7.596 2.357 -1.770 1.00 44.10 O ATOM 1091 CB ILE A 68 4.928 3.000 -2.908 1.00 41.02 C ATOM 1092 CG1 ILE A 68 3.974 3.674 -3.945 1.00 51.22 C ATOM 1093 CG2 ILE A 68 4.131 2.306 -1.770 1.00 31.02 C ATOM 1094 CD1 ILE A 68 3.118 4.793 -3.392 1.00 5.51 C ATOM 0 H ILE A 68 7.013 4.040 -4.149 1.00 20.14 H new ATOM 0 HA ILE A 68 5.391 4.810 -1.812 1.00 51.35 H new ATOM 0 HB ILE A 68 5.490 2.226 -3.431 1.00 41.02 H new ATOM 0 HG12 ILE A 68 4.574 4.067 -4.766 1.00 51.22 H new ATOM 0 HG13 ILE A 68 3.320 2.910 -4.365 1.00 51.22 H new ATOM 0 HG21 ILE A 68 3.426 1.595 -2.201 1.00 31.02 H new ATOM 0 HG22 ILE A 68 4.821 1.779 -1.112 1.00 31.02 H new ATOM 0 HG23 ILE A 68 3.586 3.056 -1.198 1.00 31.02 H new ATOM 0 HD11 ILE A 68 2.490 5.198 -4.186 1.00 5.51 H new ATOM 0 HD12 ILE A 68 2.487 4.407 -2.592 1.00 5.51 H new ATOM 0 HD13 ILE A 68 3.760 5.582 -2.999 1.00 5.51 H new ATOM 1106 N GLN A 69 7.036 3.831 -0.132 1.00 14.42 N ATOM 1107 CA GLN A 69 7.956 3.275 0.873 1.00 73.43 C ATOM 1108 C GLN A 69 7.323 2.034 1.534 1.00 41.12 C ATOM 1109 O GLN A 69 6.108 1.983 1.757 1.00 25.31 O ATOM 1110 CB GLN A 69 8.337 4.350 1.933 1.00 60.25 C ATOM 1111 CG GLN A 69 7.141 4.959 2.679 1.00 54.12 C ATOM 1112 CD GLN A 69 7.513 6.014 3.722 1.00 0.41 C ATOM 1113 OE1 GLN A 69 8.529 6.692 3.602 1.00 65.41 O ATOM 1114 NE2 GLN A 69 6.678 6.169 4.737 1.00 62.41 N ATOM 0 H GLN A 69 6.488 4.624 0.201 1.00 14.42 H new ATOM 0 HA GLN A 69 8.877 2.968 0.377 1.00 73.43 H new ATOM 0 HB2 GLN A 69 9.013 3.901 2.661 1.00 60.25 H new ATOM 0 HB3 GLN A 69 8.887 5.151 1.439 1.00 60.25 H new ATOM 0 HG2 GLN A 69 6.466 5.409 1.951 1.00 54.12 H new ATOM 0 HG3 GLN A 69 6.590 4.158 3.172 1.00 54.12 H new ATOM 0 HE21 GLN A 69 5.843 5.587 4.804 1.00 62.41 H new ATOM 0 HE22 GLN A 69 6.869 6.870 5.452 1.00 62.41 H new ATOM 1123 N THR A 70 8.163 1.037 1.820 1.00 63.41 N ATOM 1124 CA THR A 70 7.740 -0.223 2.435 1.00 33.03 C ATOM 1125 C THR A 70 7.981 -0.150 3.947 1.00 64.52 C ATOM 1126 O THR A 70 9.118 0.039 4.392 1.00 22.12 O ATOM 1127 CB THR A 70 8.515 -1.432 1.819 1.00 71.23 C ATOM 1128 OG1 THR A 70 8.388 -1.392 0.385 1.00 53.20 O ATOM 1129 CG2 THR A 70 7.997 -2.790 2.350 1.00 13.25 C ATOM 0 H THR A 70 9.164 1.082 1.630 1.00 63.41 H new ATOM 0 HA THR A 70 6.678 -0.374 2.241 1.00 33.03 H new ATOM 0 HB THR A 70 9.561 -1.345 2.113 1.00 71.23 H new ATOM 0 HG1 THR A 70 9.252 -1.157 -0.014 1.00 53.20 H new ATOM 0 HG21 THR A 70 8.566 -3.600 1.894 1.00 13.25 H new ATOM 0 HG22 THR A 70 8.117 -2.827 3.433 1.00 13.25 H new ATOM 0 HG23 THR A 70 6.942 -2.901 2.098 1.00 13.25 H new ATOM 1137 N ILE A 71 6.889 -0.248 4.712 1.00 73.01 N ATOM 1138 CA ILE A 71 6.918 -0.259 6.185 1.00 73.25 C ATOM 1139 C ILE A 71 7.255 -1.682 6.658 1.00 11.02 C ATOM 1140 O ILE A 71 8.245 -1.905 7.360 1.00 31.40 O ATOM 1141 CB ILE A 71 5.523 0.197 6.772 1.00 74.11 C ATOM 1142 CG1 ILE A 71 5.165 1.632 6.273 1.00 31.22 C ATOM 1143 CG2 ILE A 71 5.480 0.106 8.324 1.00 43.24 C ATOM 1144 CD1 ILE A 71 6.046 2.737 6.821 1.00 31.44 C ATOM 0 H ILE A 71 5.948 -0.323 4.325 1.00 73.01 H new ATOM 0 HA ILE A 71 7.675 0.440 6.541 1.00 73.25 H new ATOM 0 HB ILE A 71 4.767 -0.495 6.401 1.00 74.11 H new ATOM 0 HG12 ILE A 71 5.223 1.647 5.185 1.00 31.22 H new ATOM 0 HG13 ILE A 71 4.130 1.846 6.540 1.00 31.22 H new ATOM 0 HG21 ILE A 71 4.502 0.429 8.680 1.00 43.24 H new ATOM 0 HG22 ILE A 71 5.656 -0.924 8.633 1.00 43.24 H new ATOM 0 HG23 ILE A 71 6.251 0.749 8.748 1.00 43.24 H new ATOM 0 HD11 ILE A 71 5.720 3.696 6.418 1.00 31.44 H new ATOM 0 HD12 ILE A 71 5.971 2.756 7.908 1.00 31.44 H new ATOM 0 HD13 ILE A 71 7.081 2.555 6.532 1.00 31.44 H new ATOM 1156 N ALA A 72 6.429 -2.641 6.222 1.00 15.54 N ATOM 1157 CA ALA A 72 6.580 -4.065 6.546 1.00 74.53 C ATOM 1158 C ALA A 72 6.251 -4.901 5.305 1.00 74.03 C ATOM 1159 O ALA A 72 5.547 -4.429 4.408 1.00 11.12 O ATOM 1160 CB ALA A 72 5.660 -4.437 7.720 1.00 14.32 C ATOM 0 H ALA A 72 5.625 -2.447 5.625 1.00 15.54 H new ATOM 0 HA ALA A 72 7.608 -4.269 6.846 1.00 74.53 H new ATOM 0 HB1 ALA A 72 5.778 -5.495 7.954 1.00 14.32 H new ATOM 0 HB2 ALA A 72 5.925 -3.841 8.593 1.00 14.32 H new ATOM 0 HB3 ALA A 72 4.623 -4.239 7.447 1.00 14.32 H new ATOM 1166 N MET A 73 6.805 -6.121 5.238 1.00 1.34 N ATOM 1167 CA MET A 73 6.531 -7.071 4.149 1.00 0.42 C ATOM 1168 C MET A 73 6.869 -8.497 4.602 1.00 23.22 C ATOM 1169 O MET A 73 7.868 -8.707 5.300 1.00 53.44 O ATOM 1170 CB MET A 73 7.319 -6.675 2.866 1.00 72.05 C ATOM 1171 CG MET A 73 7.066 -7.576 1.643 1.00 72.12 C ATOM 1172 SD MET A 73 7.612 -6.850 0.077 1.00 60.31 S ATOM 1173 CE MET A 73 6.467 -5.476 -0.102 1.00 51.14 C ATOM 0 H MET A 73 7.456 -6.477 5.938 1.00 1.34 H new ATOM 0 HA MET A 73 5.470 -7.037 3.903 1.00 0.42 H new ATOM 0 HB2 MET A 73 7.062 -5.649 2.602 1.00 72.05 H new ATOM 0 HB3 MET A 73 8.385 -6.688 3.094 1.00 72.05 H new ATOM 0 HG2 MET A 73 7.579 -8.526 1.791 1.00 72.12 H new ATOM 0 HG3 MET A 73 6.000 -7.796 1.579 1.00 72.12 H new ATOM 0 HE1 MET A 73 6.435 -5.162 -1.145 1.00 51.14 H new ATOM 0 HE2 MET A 73 5.471 -5.789 0.213 1.00 51.14 H new ATOM 0 HE3 MET A 73 6.799 -4.643 0.518 1.00 51.14 H new ATOM 1183 N SER A 74 6.016 -9.470 4.232 1.00 50.34 N ATOM 1184 CA SER A 74 6.282 -10.904 4.472 1.00 23.11 C ATOM 1185 C SER A 74 7.171 -11.469 3.333 1.00 74.30 C ATOM 1186 O SER A 74 7.465 -10.769 2.354 1.00 24.32 O ATOM 1187 CB SER A 74 4.935 -11.667 4.603 1.00 62.32 C ATOM 1188 OG SER A 74 5.122 -13.002 5.046 1.00 62.14 O ATOM 0 H SER A 74 5.129 -9.289 3.762 1.00 50.34 H new ATOM 0 HA SER A 74 6.827 -11.036 5.406 1.00 23.11 H new ATOM 0 HB2 SER A 74 4.286 -11.140 5.303 1.00 62.32 H new ATOM 0 HB3 SER A 74 4.426 -11.673 3.639 1.00 62.32 H new ATOM 0 HG SER A 74 4.252 -13.402 5.255 1.00 62.14 H new ATOM 1194 N ARG A 75 7.588 -12.742 3.457 1.00 31.30 N ATOM 1195 CA ARG A 75 8.547 -13.378 2.525 1.00 74.43 C ATOM 1196 C ARG A 75 7.816 -14.210 1.450 1.00 52.30 C ATOM 1197 O ARG A 75 6.616 -14.517 1.570 1.00 63.14 O ATOM 1198 CB ARG A 75 9.582 -14.252 3.312 1.00 64.44 C ATOM 1199 CG ARG A 75 10.818 -13.485 3.850 1.00 61.30 C ATOM 1200 CD ARG A 75 10.469 -12.355 4.830 1.00 1.01 C ATOM 1201 NE ARG A 75 9.832 -12.858 6.059 1.00 53.55 N ATOM 1202 CZ ARG A 75 9.444 -12.097 7.097 1.00 64.43 C ATOM 1203 NH1 ARG A 75 9.609 -10.772 7.084 1.00 31.34 N ATOM 1204 NH2 ARG A 75 8.893 -12.674 8.160 1.00 32.13 N ATOM 0 H ARG A 75 7.272 -13.361 4.204 1.00 31.30 H new ATOM 0 HA ARG A 75 9.093 -12.588 2.010 1.00 74.43 H new ATOM 0 HB2 ARG A 75 9.072 -14.722 4.153 1.00 64.44 H new ATOM 0 HB3 ARG A 75 9.927 -15.054 2.659 1.00 64.44 H new ATOM 0 HG2 ARG A 75 11.484 -14.191 4.346 1.00 61.30 H new ATOM 0 HG3 ARG A 75 11.368 -13.066 3.008 1.00 61.30 H new ATOM 0 HD2 ARG A 75 11.376 -11.810 5.091 1.00 1.01 H new ATOM 0 HD3 ARG A 75 9.801 -11.646 4.341 1.00 1.01 H new ATOM 0 HE ARG A 75 9.673 -13.863 6.128 1.00 53.55 H new ATOM 0 HH11 ARG A 75 10.036 -10.319 6.276 1.00 31.34 H new ATOM 0 HH12 ARG A 75 9.308 -10.213 7.882 1.00 31.34 H new ATOM 0 HH21 ARG A 75 8.768 -13.686 8.183 1.00 32.13 H new ATOM 0 HH22 ARG A 75 8.595 -12.105 8.952 1.00 32.13 H new ATOM 1218 N ALA A 76 8.576 -14.567 0.395 1.00 55.44 N ATOM 1219 CA ALA A 76 8.105 -15.415 -0.706 1.00 43.35 C ATOM 1220 C ALA A 76 7.735 -16.808 -0.168 1.00 53.34 C ATOM 1221 O ALA A 76 8.485 -17.390 0.620 1.00 51.11 O ATOM 1222 CB ALA A 76 9.190 -15.515 -1.799 1.00 20.41 C ATOM 0 H ALA A 76 9.545 -14.268 0.287 1.00 55.44 H new ATOM 0 HA ALA A 76 7.215 -14.969 -1.151 1.00 43.35 H new ATOM 0 HB1 ALA A 76 8.831 -16.146 -2.612 1.00 20.41 H new ATOM 0 HB2 ALA A 76 9.412 -14.520 -2.184 1.00 20.41 H new ATOM 0 HB3 ALA A 76 10.095 -15.950 -1.375 1.00 20.41 H new ATOM 1228 N GLY A 77 6.547 -17.296 -0.556 1.00 75.43 N ATOM 1229 CA GLY A 77 6.051 -18.605 -0.113 1.00 70.23 C ATOM 1230 C GLY A 77 5.302 -18.550 1.213 1.00 5.35 C ATOM 1231 O GLY A 77 4.577 -19.496 1.563 1.00 14.04 O ATOM 0 H GLY A 77 5.910 -16.800 -1.179 1.00 75.43 H new ATOM 0 HA2 GLY A 77 5.391 -19.013 -0.878 1.00 70.23 H new ATOM 0 HA3 GLY A 77 6.892 -19.291 -0.019 1.00 70.23 H new ATOM 1235 N SER A 78 5.483 -17.447 1.964 1.00 72.13 N ATOM 1236 CA SER A 78 4.851 -17.247 3.269 1.00 73.25 C ATOM 1237 C SER A 78 3.421 -16.746 3.071 1.00 15.53 C ATOM 1238 O SER A 78 3.222 -15.706 2.454 1.00 52.04 O ATOM 1239 CB SER A 78 5.661 -16.229 4.100 1.00 72.30 C ATOM 1240 OG SER A 78 5.043 -15.941 5.345 1.00 14.01 O ATOM 0 H SER A 78 6.076 -16.669 1.675 1.00 72.13 H new ATOM 0 HA SER A 78 4.828 -18.195 3.807 1.00 73.25 H new ATOM 0 HB2 SER A 78 6.663 -16.621 4.276 1.00 72.30 H new ATOM 0 HB3 SER A 78 5.775 -15.306 3.531 1.00 72.30 H new ATOM 0 HG SER A 78 5.097 -14.979 5.522 1.00 14.01 H new ATOM 1246 N ARG A 79 2.431 -17.511 3.571 1.00 25.13 N ATOM 1247 CA ARG A 79 1.007 -17.107 3.543 1.00 41.11 C ATOM 1248 C ARG A 79 0.382 -17.220 4.955 1.00 73.41 C ATOM 1249 O ARG A 79 0.740 -18.135 5.696 1.00 14.21 O ATOM 1250 CB ARG A 79 0.178 -17.925 2.508 1.00 51.13 C ATOM 1251 CG ARG A 79 0.377 -17.505 1.026 1.00 12.24 C ATOM 1252 CD ARG A 79 1.613 -18.133 0.355 1.00 22.22 C ATOM 1253 NE ARG A 79 1.839 -17.600 -0.994 1.00 33.22 N ATOM 1254 CZ ARG A 79 1.088 -17.858 -2.070 1.00 25.23 C ATOM 1255 NH1 ARG A 79 0.029 -18.661 -2.007 1.00 40.11 N ATOM 1256 NH2 ARG A 79 1.410 -17.303 -3.228 1.00 21.12 N ATOM 0 H ARG A 79 2.592 -18.421 4.003 1.00 25.13 H new ATOM 0 HA ARG A 79 0.976 -16.065 3.224 1.00 41.11 H new ATOM 0 HB2 ARG A 79 0.438 -18.979 2.609 1.00 51.13 H new ATOM 0 HB3 ARG A 79 -0.879 -17.832 2.757 1.00 51.13 H new ATOM 0 HG2 ARG A 79 -0.511 -17.782 0.459 1.00 12.24 H new ATOM 0 HG3 ARG A 79 0.462 -16.419 0.975 1.00 12.24 H new ATOM 0 HD2 ARG A 79 2.493 -17.946 0.970 1.00 22.22 H new ATOM 0 HD3 ARG A 79 1.485 -19.214 0.301 1.00 22.22 H new ATOM 0 HE ARG A 79 2.638 -16.979 -1.122 1.00 33.22 H new ATOM 0 HH11 ARG A 79 -0.228 -19.098 -1.122 1.00 40.11 H new ATOM 0 HH12 ARG A 79 -0.526 -18.840 -2.844 1.00 40.11 H new ATOM 0 HH21 ARG A 79 2.221 -16.688 -3.291 1.00 21.12 H new ATOM 0 HH22 ARG A 79 0.847 -17.490 -4.057 1.00 21.12 H new ATOM 1270 N PRO A 80 -0.564 -16.290 5.371 1.00 11.30 N ATOM 1271 CA PRO A 80 -1.034 -15.130 4.565 1.00 53.14 C ATOM 1272 C PRO A 80 0.060 -14.055 4.402 1.00 64.34 C ATOM 1273 O PRO A 80 0.534 -13.494 5.394 1.00 41.40 O ATOM 1274 CB PRO A 80 -2.263 -14.577 5.356 1.00 71.10 C ATOM 1275 CG PRO A 80 -2.555 -15.604 6.422 1.00 60.11 C ATOM 1276 CD PRO A 80 -1.248 -16.326 6.687 1.00 62.54 C ATOM 0 HA PRO A 80 -1.292 -15.423 3.547 1.00 53.14 H new ATOM 0 HB2 PRO A 80 -2.040 -13.606 5.798 1.00 71.10 H new ATOM 0 HB3 PRO A 80 -3.122 -14.439 4.699 1.00 71.10 H new ATOM 0 HG2 PRO A 80 -2.927 -15.128 7.329 1.00 60.11 H new ATOM 0 HG3 PRO A 80 -3.324 -16.301 6.090 1.00 60.11 H new ATOM 0 HD2 PRO A 80 -0.662 -15.826 7.458 1.00 62.54 H new ATOM 0 HD3 PRO A 80 -1.415 -17.349 7.026 1.00 62.54 H new ATOM 1284 N TRP A 81 0.485 -13.828 3.143 1.00 3.10 N ATOM 1285 CA TRP A 81 1.510 -12.829 2.838 1.00 14.21 C ATOM 1286 C TRP A 81 0.912 -11.444 3.058 1.00 25.44 C ATOM 1287 O TRP A 81 0.038 -11.027 2.318 1.00 52.14 O ATOM 1288 CB TRP A 81 2.022 -12.971 1.376 1.00 63.44 C ATOM 1289 CG TRP A 81 3.085 -11.951 1.001 1.00 21.43 C ATOM 1290 CD1 TRP A 81 4.435 -12.081 1.146 1.00 3.24 C ATOM 1291 CD2 TRP A 81 2.880 -10.646 0.425 1.00 61.34 C ATOM 1292 NE1 TRP A 81 5.071 -10.936 0.729 1.00 1.44 N ATOM 1293 CE2 TRP A 81 4.139 -10.046 0.280 1.00 42.31 C ATOM 1294 CE3 TRP A 81 1.748 -9.933 0.015 1.00 53.12 C ATOM 1295 CZ2 TRP A 81 4.304 -8.773 -0.253 1.00 44.45 C ATOM 1296 CZ3 TRP A 81 1.911 -8.672 -0.502 1.00 63.11 C ATOM 1297 CH2 TRP A 81 3.179 -8.101 -0.635 1.00 55.32 C ATOM 0 H TRP A 81 0.130 -14.326 2.327 1.00 3.10 H new ATOM 0 HA TRP A 81 2.366 -12.980 3.496 1.00 14.21 H new ATOM 0 HB2 TRP A 81 2.427 -13.973 1.238 1.00 63.44 H new ATOM 0 HB3 TRP A 81 1.178 -12.872 0.693 1.00 63.44 H new ATOM 0 HD1 TRP A 81 4.933 -12.958 1.533 1.00 3.24 H new ATOM 0 HE1 TRP A 81 6.078 -10.777 0.752 1.00 1.44 H new ATOM 0 HE3 TRP A 81 0.763 -10.367 0.104 1.00 53.12 H new ATOM 0 HZ2 TRP A 81 5.284 -8.333 -0.361 1.00 44.45 H new ATOM 0 HZ3 TRP A 81 1.042 -8.110 -0.812 1.00 63.11 H new ATOM 0 HH2 TRP A 81 3.271 -7.108 -1.049 1.00 55.32 H new ATOM 1308 N LYS A 82 1.366 -10.729 4.076 1.00 54.43 N ATOM 1309 CA LYS A 82 0.884 -9.376 4.335 1.00 24.32 C ATOM 1310 C LYS A 82 2.052 -8.397 4.309 1.00 54.21 C ATOM 1311 O LYS A 82 3.178 -8.737 4.677 1.00 64.10 O ATOM 1312 CB LYS A 82 0.101 -9.333 5.666 1.00 15.21 C ATOM 1313 CG LYS A 82 -0.606 -7.993 5.959 1.00 40.34 C ATOM 1314 CD LYS A 82 -1.541 -8.047 7.194 1.00 72.41 C ATOM 1315 CE LYS A 82 -0.813 -8.201 8.543 1.00 24.11 C ATOM 1316 NZ LYS A 82 -0.164 -9.525 8.736 1.00 3.42 N ATOM 0 H LYS A 82 2.068 -11.061 4.738 1.00 54.43 H new ATOM 0 HA LYS A 82 0.190 -9.074 3.550 1.00 24.32 H new ATOM 0 HB2 LYS A 82 -0.646 -10.127 5.658 1.00 15.21 H new ATOM 0 HB3 LYS A 82 0.789 -9.551 6.483 1.00 15.21 H new ATOM 0 HG2 LYS A 82 0.147 -7.220 6.116 1.00 40.34 H new ATOM 0 HG3 LYS A 82 -1.187 -7.699 5.085 1.00 40.34 H new ATOM 0 HD2 LYS A 82 -2.139 -7.136 7.221 1.00 72.41 H new ATOM 0 HD3 LYS A 82 -2.234 -8.880 7.073 1.00 72.41 H new ATOM 0 HE2 LYS A 82 -0.055 -7.422 8.626 1.00 24.11 H new ATOM 0 HE3 LYS A 82 -1.528 -8.038 9.350 1.00 24.11 H new ATOM 0 HZ1 LYS A 82 -0.343 -9.862 9.704 1.00 3.42 H new ATOM 0 HZ2 LYS A 82 -0.555 -10.206 8.054 1.00 3.42 H new ATOM 0 HZ3 LYS A 82 0.861 -9.434 8.585 1.00 3.42 H new ATOM 1330 N ALA A 83 1.753 -7.184 3.857 1.00 4.41 N ATOM 1331 CA ALA A 83 2.712 -6.110 3.683 1.00 44.34 C ATOM 1332 C ALA A 83 2.012 -4.793 3.972 1.00 14.01 C ATOM 1333 O ALA A 83 0.813 -4.648 3.718 1.00 22.44 O ATOM 1334 CB ALA A 83 3.293 -6.117 2.264 1.00 24.42 C ATOM 0 H ALA A 83 0.804 -6.917 3.594 1.00 4.41 H new ATOM 0 HA ALA A 83 3.545 -6.247 4.373 1.00 44.34 H new ATOM 0 HB1 ALA A 83 4.009 -5.302 2.160 1.00 24.42 H new ATOM 0 HB2 ALA A 83 3.795 -7.067 2.081 1.00 24.42 H new ATOM 0 HB3 ALA A 83 2.488 -5.987 1.541 1.00 24.42 H new ATOM 1340 N TYR A 84 2.755 -3.848 4.526 1.00 41.12 N ATOM 1341 CA TYR A 84 2.276 -2.506 4.812 1.00 53.11 C ATOM 1342 C TYR A 84 3.134 -1.493 4.063 1.00 31.00 C ATOM 1343 O TYR A 84 4.366 -1.507 4.161 1.00 61.12 O ATOM 1344 CB TYR A 84 2.287 -2.266 6.330 1.00 74.42 C ATOM 1345 CG TYR A 84 1.182 -3.041 7.060 1.00 0.12 C ATOM 1346 CD1 TYR A 84 -0.156 -2.646 6.948 1.00 73.15 C ATOM 1347 CD2 TYR A 84 1.459 -4.144 7.864 1.00 12.44 C ATOM 1348 CE1 TYR A 84 -1.163 -3.323 7.602 1.00 63.31 C ATOM 1349 CE2 TYR A 84 0.452 -4.822 8.517 1.00 61.11 C ATOM 1350 CZ TYR A 84 -0.857 -4.405 8.387 1.00 60.42 C ATOM 1351 OH TYR A 84 -1.866 -5.081 9.041 1.00 73.04 O ATOM 0 H TYR A 84 3.728 -3.996 4.795 1.00 41.12 H new ATOM 0 HA TYR A 84 1.248 -2.389 4.470 1.00 53.11 H new ATOM 0 HB2 TYR A 84 3.257 -2.558 6.733 1.00 74.42 H new ATOM 0 HB3 TYR A 84 2.168 -1.200 6.526 1.00 74.42 H new ATOM 0 HD1 TYR A 84 -0.405 -1.792 6.336 1.00 73.15 H new ATOM 0 HD2 TYR A 84 2.481 -4.474 7.978 1.00 12.44 H new ATOM 0 HE1 TYR A 84 -2.189 -3.003 7.497 1.00 63.31 H new ATOM 0 HE2 TYR A 84 0.687 -5.679 9.130 1.00 61.11 H new ATOM 0 HH TYR A 84 -2.613 -5.229 8.425 1.00 73.04 H new ATOM 1361 N LEU A 85 2.467 -0.657 3.281 1.00 44.31 N ATOM 1362 CA LEU A 85 3.069 0.396 2.472 1.00 31.42 C ATOM 1363 C LEU A 85 2.614 1.748 3.007 1.00 12.32 C ATOM 1364 O LEU A 85 1.588 1.843 3.684 1.00 52.52 O ATOM 1365 CB LEU A 85 2.633 0.240 0.995 1.00 54.44 C ATOM 1366 CG LEU A 85 2.951 -1.123 0.322 1.00 14.43 C ATOM 1367 CD1 LEU A 85 2.388 -1.164 -1.115 1.00 1.11 C ATOM 1368 CD2 LEU A 85 4.465 -1.426 0.361 1.00 14.44 C ATOM 0 H LEU A 85 1.452 -0.694 3.188 1.00 44.31 H new ATOM 0 HA LEU A 85 4.155 0.326 2.525 1.00 31.42 H new ATOM 0 HB2 LEU A 85 1.557 0.407 0.937 1.00 54.44 H new ATOM 0 HB3 LEU A 85 3.110 1.028 0.413 1.00 54.44 H new ATOM 0 HG LEU A 85 2.457 -1.911 0.890 1.00 14.43 H new ATOM 0 HD11 LEU A 85 2.621 -2.127 -1.570 1.00 1.11 H new ATOM 0 HD12 LEU A 85 1.307 -1.028 -1.086 1.00 1.11 H new ATOM 0 HD13 LEU A 85 2.838 -0.366 -1.705 1.00 1.11 H new ATOM 0 HD21 LEU A 85 4.656 -2.386 -0.118 1.00 14.44 H new ATOM 0 HD22 LEU A 85 5.007 -0.642 -0.169 1.00 14.44 H new ATOM 0 HD23 LEU A 85 4.802 -1.463 1.397 1.00 14.44 H new ATOM 1380 N SER A 86 3.404 2.777 2.751 1.00 41.03 N ATOM 1381 CA SER A 86 3.027 4.154 3.049 1.00 73.23 C ATOM 1382 C SER A 86 3.550 5.079 1.938 1.00 43.54 C ATOM 1383 O SER A 86 4.447 4.709 1.164 1.00 44.53 O ATOM 1384 CB SER A 86 3.551 4.572 4.446 1.00 24.20 C ATOM 1385 OG SER A 86 3.183 5.903 4.766 1.00 23.53 O ATOM 0 H SER A 86 4.328 2.684 2.329 1.00 41.03 H new ATOM 0 HA SER A 86 1.941 4.238 3.078 1.00 73.23 H new ATOM 0 HB2 SER A 86 3.155 3.893 5.201 1.00 24.20 H new ATOM 0 HB3 SER A 86 4.637 4.478 4.471 1.00 24.20 H new ATOM 0 HG SER A 86 2.263 6.068 4.472 1.00 23.53 H new ATOM 1391 N ALA A 87 2.914 6.239 1.832 1.00 11.21 N ATOM 1392 CA ALA A 87 3.332 7.339 0.966 1.00 10.20 C ATOM 1393 C ALA A 87 2.726 8.635 1.495 1.00 22.13 C ATOM 1394 O ALA A 87 1.959 8.621 2.456 1.00 32.33 O ATOM 1395 CB ALA A 87 2.916 7.087 -0.494 1.00 11.30 C ATOM 0 H ALA A 87 2.068 6.448 2.361 1.00 11.21 H new ATOM 0 HA ALA A 87 4.419 7.415 0.977 1.00 10.20 H new ATOM 0 HB1 ALA A 87 3.241 7.922 -1.114 1.00 11.30 H new ATOM 0 HB2 ALA A 87 3.380 6.168 -0.851 1.00 11.30 H new ATOM 0 HB3 ALA A 87 1.832 6.992 -0.552 1.00 11.30 H new ATOM 1401 N GLN A 88 3.125 9.747 0.911 1.00 21.02 N ATOM 1402 CA GLN A 88 2.560 11.063 1.208 1.00 11.23 C ATOM 1403 C GLN A 88 2.633 11.895 -0.065 1.00 12.44 C ATOM 1404 O GLN A 88 3.696 11.981 -0.658 1.00 45.02 O ATOM 1405 CB GLN A 88 3.353 11.726 2.360 1.00 43.41 C ATOM 1406 CG GLN A 88 2.797 13.091 2.825 1.00 2.15 C ATOM 1407 CD GLN A 88 3.569 13.724 3.988 1.00 51.41 C ATOM 1408 OE1 GLN A 88 3.643 14.949 4.102 1.00 72.31 O ATOM 1409 NE2 GLN A 88 4.129 12.913 4.874 1.00 62.34 N ATOM 0 H GLN A 88 3.861 9.770 0.205 1.00 21.02 H new ATOM 0 HA GLN A 88 1.522 10.981 1.531 1.00 11.23 H new ATOM 0 HB2 GLN A 88 3.367 11.046 3.212 1.00 43.41 H new ATOM 0 HB3 GLN A 88 4.387 11.860 2.041 1.00 43.41 H new ATOM 0 HG2 GLN A 88 2.806 13.780 1.981 1.00 2.15 H new ATOM 0 HG3 GLN A 88 1.756 12.964 3.122 1.00 2.15 H new ATOM 0 HE21 GLN A 88 4.054 11.902 4.759 1.00 62.34 H new ATOM 0 HE22 GLN A 88 4.634 13.300 5.671 1.00 62.34 H new ATOM 1418 N ASP A 89 1.518 12.491 -0.512 1.00 42.21 N ATOM 1419 CA ASP A 89 1.530 13.331 -1.733 1.00 4.43 C ATOM 1420 C ASP A 89 2.211 14.687 -1.461 1.00 71.43 C ATOM 1421 O ASP A 89 2.507 15.029 -0.304 1.00 12.33 O ATOM 1422 CB ASP A 89 0.087 13.513 -2.305 1.00 52.24 C ATOM 1423 CG ASP A 89 -0.958 14.114 -1.342 1.00 73.32 C ATOM 1424 OD1 ASP A 89 -0.591 14.881 -0.432 1.00 72.14 O ATOM 1425 OD2 ASP A 89 -2.165 13.838 -1.508 1.00 71.22 O ATOM 0 H ASP A 89 0.607 12.413 -0.060 1.00 42.21 H new ATOM 0 HA ASP A 89 2.117 12.816 -2.494 1.00 4.43 H new ATOM 0 HB2 ASP A 89 0.146 14.151 -3.187 1.00 52.24 H new ATOM 0 HB3 ASP A 89 -0.274 12.540 -2.639 1.00 52.24 H new ATOM 1430 N ASP A 90 2.436 15.460 -2.531 1.00 42.11 N ATOM 1431 CA ASP A 90 3.079 16.787 -2.447 1.00 64.55 C ATOM 1432 C ASP A 90 2.196 17.837 -1.710 1.00 61.21 C ATOM 1433 O ASP A 90 2.673 18.937 -1.417 1.00 34.31 O ATOM 1434 CB ASP A 90 3.452 17.298 -3.869 1.00 52.41 C ATOM 1435 CG ASP A 90 2.237 17.499 -4.790 1.00 11.13 C ATOM 1436 OD1 ASP A 90 1.807 16.520 -5.439 1.00 33.35 O ATOM 1437 OD2 ASP A 90 1.695 18.630 -4.869 1.00 73.02 O ATOM 0 H ASP A 90 2.180 15.188 -3.480 1.00 42.11 H new ATOM 0 HA ASP A 90 3.986 16.663 -1.856 1.00 64.55 H new ATOM 0 HB2 ASP A 90 3.988 18.243 -3.777 1.00 52.41 H new ATOM 0 HB3 ASP A 90 4.136 16.587 -4.333 1.00 52.41 H new ATOM 1442 N THR A 91 0.914 17.504 -1.407 1.00 23.50 N ATOM 1443 CA THR A 91 -0.011 18.431 -0.687 1.00 35.32 C ATOM 1444 C THR A 91 -0.139 18.065 0.815 1.00 34.50 C ATOM 1445 O THR A 91 -0.935 18.682 1.539 1.00 13.53 O ATOM 1446 CB THR A 91 -1.423 18.501 -1.363 1.00 35.23 C ATOM 1447 OG1 THR A 91 -2.073 17.226 -1.322 1.00 2.41 O ATOM 1448 CG2 THR A 91 -1.314 18.989 -2.830 1.00 24.33 C ATOM 0 H THR A 91 0.495 16.606 -1.647 1.00 23.50 H new ATOM 0 HA THR A 91 0.435 19.423 -0.754 1.00 35.32 H new ATOM 0 HB THR A 91 -2.021 19.218 -0.801 1.00 35.23 H new ATOM 0 HG1 THR A 91 -1.480 16.570 -0.901 1.00 2.41 H new ATOM 0 HG21 THR A 91 -2.308 19.028 -3.275 1.00 24.33 H new ATOM 0 HG22 THR A 91 -0.868 19.983 -2.851 1.00 24.33 H new ATOM 0 HG23 THR A 91 -0.689 18.299 -3.397 1.00 24.33 H new ATOM 1456 N GLY A 92 0.665 17.075 1.271 1.00 0.22 N ATOM 1457 CA GLY A 92 0.832 16.802 2.713 1.00 34.33 C ATOM 1458 C GLY A 92 -0.122 15.763 3.306 1.00 2.34 C ATOM 1459 O GLY A 92 -0.129 15.575 4.531 1.00 0.51 O ATOM 0 H GLY A 92 1.203 16.458 0.663 1.00 0.22 H new ATOM 0 HA2 GLY A 92 1.855 16.469 2.885 1.00 34.33 H new ATOM 0 HA3 GLY A 92 0.706 17.737 3.258 1.00 34.33 H new ATOM 1463 N CYS A 93 -0.926 15.091 2.458 1.00 12.25 N ATOM 1464 CA CYS A 93 -1.798 13.988 2.899 1.00 74.15 C ATOM 1465 C CYS A 93 -1.018 12.692 3.014 1.00 0.13 C ATOM 1466 O CYS A 93 -0.294 12.315 2.099 1.00 61.44 O ATOM 1467 CB CYS A 93 -3.025 13.808 1.986 1.00 71.04 C ATOM 1468 SG CYS A 93 -4.310 15.007 2.343 1.00 71.12 S ATOM 0 H CYS A 93 -0.988 15.295 1.461 1.00 12.25 H new ATOM 0 HA CYS A 93 -2.172 14.257 3.887 1.00 74.15 H new ATOM 0 HB2 CYS A 93 -2.719 13.904 0.944 1.00 71.04 H new ATOM 0 HB3 CYS A 93 -3.424 12.801 2.109 1.00 71.04 H new ATOM 0 HG CYS A 93 -5.475 14.440 2.233 1.00 71.12 H new ATOM 1474 N LEU A 94 -1.213 12.021 4.158 1.00 34.13 N ATOM 1475 CA LEU A 94 -0.495 10.800 4.518 1.00 1.23 C ATOM 1476 C LEU A 94 -1.348 9.578 4.089 1.00 75.11 C ATOM 1477 O LEU A 94 -2.506 9.480 4.458 1.00 32.03 O ATOM 1478 CB LEU A 94 -0.204 10.820 6.063 1.00 23.24 C ATOM 1479 CG LEU A 94 0.908 9.850 6.612 1.00 33.14 C ATOM 1480 CD1 LEU A 94 0.429 8.398 6.648 1.00 13.10 C ATOM 1481 CD2 LEU A 94 2.230 9.980 5.815 1.00 61.24 C ATOM 0 H LEU A 94 -1.884 12.319 4.866 1.00 34.13 H new ATOM 0 HA LEU A 94 0.464 10.733 4.003 1.00 1.23 H new ATOM 0 HB2 LEU A 94 0.073 11.838 6.339 1.00 23.24 H new ATOM 0 HB3 LEU A 94 -1.135 10.591 6.582 1.00 23.24 H new ATOM 0 HG LEU A 94 1.111 10.155 7.639 1.00 33.14 H new ATOM 0 HD11 LEU A 94 1.226 7.761 7.033 1.00 13.10 H new ATOM 0 HD12 LEU A 94 -0.444 8.319 7.296 1.00 13.10 H new ATOM 0 HD13 LEU A 94 0.163 8.077 5.641 1.00 13.10 H new ATOM 0 HD21 LEU A 94 2.971 9.294 6.225 1.00 61.24 H new ATOM 0 HD22 LEU A 94 2.049 9.735 4.768 1.00 61.24 H new ATOM 0 HD23 LEU A 94 2.601 11.002 5.890 1.00 61.24 H new ATOM 1493 N PHE A 95 -0.739 8.655 3.322 1.00 42.34 N ATOM 1494 CA PHE A 95 -1.380 7.432 2.787 1.00 53.41 C ATOM 1495 C PHE A 95 -0.832 6.202 3.522 1.00 61.52 C ATOM 1496 O PHE A 95 0.381 6.078 3.707 1.00 61.04 O ATOM 1497 CB PHE A 95 -1.087 7.284 1.270 1.00 50.31 C ATOM 1498 CG PHE A 95 -1.614 8.416 0.393 1.00 2.23 C ATOM 1499 CD1 PHE A 95 -0.933 9.629 0.295 1.00 25.32 C ATOM 1500 CD2 PHE A 95 -2.777 8.258 -0.358 1.00 13.13 C ATOM 1501 CE1 PHE A 95 -1.403 10.641 -0.509 1.00 50.11 C ATOM 1502 CE2 PHE A 95 -3.241 9.275 -1.170 1.00 31.30 C ATOM 1503 CZ PHE A 95 -2.555 10.463 -1.247 1.00 43.35 C ATOM 0 H PHE A 95 0.240 8.739 3.048 1.00 42.34 H new ATOM 0 HA PHE A 95 -2.457 7.510 2.938 1.00 53.41 H new ATOM 0 HB2 PHE A 95 -0.009 7.209 1.130 1.00 50.31 H new ATOM 0 HB3 PHE A 95 -1.519 6.346 0.923 1.00 50.31 H new ATOM 0 HD1 PHE A 95 -0.023 9.776 0.859 1.00 25.32 H new ATOM 0 HD2 PHE A 95 -3.323 7.328 -0.305 1.00 13.13 H new ATOM 0 HE1 PHE A 95 -0.869 11.578 -0.563 1.00 50.11 H new ATOM 0 HE2 PHE A 95 -4.144 9.136 -1.745 1.00 31.30 H new ATOM 0 HZ PHE A 95 -2.917 11.256 -1.884 1.00 43.35 H new ATOM 1513 N LEU A 96 -1.730 5.314 3.953 1.00 61.32 N ATOM 1514 CA LEU A 96 -1.392 4.014 4.555 1.00 64.44 C ATOM 1515 C LEU A 96 -2.060 2.902 3.737 1.00 13.34 C ATOM 1516 O LEU A 96 -3.249 2.973 3.460 1.00 43.32 O ATOM 1517 CB LEU A 96 -1.897 3.972 6.012 1.00 24.02 C ATOM 1518 CG LEU A 96 -1.400 5.102 6.947 1.00 1.41 C ATOM 1519 CD1 LEU A 96 -2.136 5.082 8.288 1.00 73.31 C ATOM 1520 CD2 LEU A 96 0.113 5.023 7.156 1.00 1.55 C ATOM 0 H LEU A 96 -2.735 5.478 3.894 1.00 61.32 H new ATOM 0 HA LEU A 96 -0.311 3.872 4.553 1.00 64.44 H new ATOM 0 HB2 LEU A 96 -2.987 3.996 5.997 1.00 24.02 H new ATOM 0 HB3 LEU A 96 -1.606 3.016 6.447 1.00 24.02 H new ATOM 0 HG LEU A 96 -1.624 6.050 6.458 1.00 1.41 H new ATOM 0 HD11 LEU A 96 -1.763 5.888 8.920 1.00 73.31 H new ATOM 0 HD12 LEU A 96 -3.204 5.218 8.119 1.00 73.31 H new ATOM 0 HD13 LEU A 96 -1.966 4.125 8.782 1.00 73.31 H new ATOM 0 HD21 LEU A 96 0.432 5.829 7.817 1.00 1.55 H new ATOM 0 HD22 LEU A 96 0.369 4.063 7.605 1.00 1.55 H new ATOM 0 HD23 LEU A 96 0.619 5.120 6.195 1.00 1.55 H new ATOM 1532 N THR A 97 -1.286 1.891 3.336 1.00 3.21 N ATOM 1533 CA THR A 97 -1.770 0.782 2.496 1.00 13.31 C ATOM 1534 C THR A 97 -1.420 -0.588 3.108 1.00 20.33 C ATOM 1535 O THR A 97 -0.418 -0.731 3.809 1.00 13.42 O ATOM 1536 CB THR A 97 -1.166 0.906 1.060 1.00 54.22 C ATOM 1537 OG1 THR A 97 -1.339 2.247 0.604 1.00 72.22 O ATOM 1538 CG2 THR A 97 -1.811 -0.065 0.047 1.00 70.11 C ATOM 0 H THR A 97 -0.300 1.814 3.584 1.00 3.21 H new ATOM 0 HA THR A 97 -2.857 0.848 2.440 1.00 13.31 H new ATOM 0 HB THR A 97 -0.110 0.642 1.125 1.00 54.22 H new ATOM 0 HG1 THR A 97 -0.829 2.380 -0.223 1.00 72.22 H new ATOM 0 HG21 THR A 97 -1.349 0.070 -0.931 1.00 70.11 H new ATOM 0 HG22 THR A 97 -1.661 -1.092 0.381 1.00 70.11 H new ATOM 0 HG23 THR A 97 -2.879 0.141 -0.025 1.00 70.11 H new ATOM 1546 N GLU A 98 -2.290 -1.570 2.842 1.00 21.11 N ATOM 1547 CA GLU A 98 -2.093 -2.975 3.186 1.00 34.13 C ATOM 1548 C GLU A 98 -2.232 -3.828 1.918 1.00 42.12 C ATOM 1549 O GLU A 98 -3.057 -3.536 1.054 1.00 4.12 O ATOM 1550 CB GLU A 98 -3.136 -3.402 4.239 1.00 54.33 C ATOM 1551 CG GLU A 98 -3.135 -4.892 4.611 1.00 54.41 C ATOM 1552 CD GLU A 98 -4.221 -5.226 5.640 1.00 31.15 C ATOM 1553 OE1 GLU A 98 -5.398 -5.370 5.246 1.00 22.34 O ATOM 1554 OE2 GLU A 98 -3.908 -5.325 6.840 1.00 41.43 O ATOM 0 H GLU A 98 -3.176 -1.399 2.367 1.00 21.11 H new ATOM 0 HA GLU A 98 -1.097 -3.118 3.605 1.00 34.13 H new ATOM 0 HB2 GLU A 98 -2.969 -2.820 5.145 1.00 54.33 H new ATOM 0 HB3 GLU A 98 -4.127 -3.139 3.869 1.00 54.33 H new ATOM 0 HG2 GLU A 98 -3.290 -5.490 3.713 1.00 54.41 H new ATOM 0 HG3 GLU A 98 -2.159 -5.165 5.012 1.00 54.41 H new ATOM 1561 N LEU A 99 -1.387 -4.855 1.813 1.00 33.40 N ATOM 1562 CA LEU A 99 -1.460 -5.899 0.791 1.00 42.14 C ATOM 1563 C LEU A 99 -1.578 -7.231 1.536 1.00 52.42 C ATOM 1564 O LEU A 99 -0.719 -7.538 2.359 1.00 32.40 O ATOM 1565 CB LEU A 99 -0.183 -5.886 -0.096 1.00 23.21 C ATOM 1566 CG LEU A 99 0.148 -4.563 -0.852 1.00 40.21 C ATOM 1567 CD1 LEU A 99 1.480 -4.693 -1.625 1.00 32.32 C ATOM 1568 CD2 LEU A 99 -1.006 -4.149 -1.787 1.00 64.43 C ATOM 0 H LEU A 99 -0.608 -4.987 2.458 1.00 33.40 H new ATOM 0 HA LEU A 99 -2.313 -5.740 0.131 1.00 42.14 H new ATOM 0 HB2 LEU A 99 0.669 -6.136 0.536 1.00 23.21 H new ATOM 0 HB3 LEU A 99 -0.277 -6.682 -0.834 1.00 23.21 H new ATOM 0 HG LEU A 99 0.266 -3.772 -0.111 1.00 40.21 H new ATOM 0 HD11 LEU A 99 1.692 -3.759 -2.145 1.00 32.32 H new ATOM 0 HD12 LEU A 99 2.287 -4.910 -0.925 1.00 32.32 H new ATOM 0 HD13 LEU A 99 1.402 -5.503 -2.351 1.00 32.32 H new ATOM 0 HD21 LEU A 99 -0.745 -3.223 -2.300 1.00 64.43 H new ATOM 0 HD22 LEU A 99 -1.178 -4.935 -2.522 1.00 64.43 H new ATOM 0 HD23 LEU A 99 -1.912 -3.996 -1.201 1.00 64.43 H new ATOM 1580 N LEU A 100 -2.640 -7.993 1.281 1.00 24.02 N ATOM 1581 CA LEU A 100 -2.890 -9.282 1.944 1.00 0.20 C ATOM 1582 C LEU A 100 -3.100 -10.359 0.886 1.00 41.43 C ATOM 1583 O LEU A 100 -4.002 -10.244 0.094 1.00 60.34 O ATOM 1584 CB LEU A 100 -4.151 -9.188 2.843 1.00 4.21 C ATOM 1585 CG LEU A 100 -4.567 -10.511 3.569 1.00 44.04 C ATOM 1586 CD1 LEU A 100 -3.498 -10.953 4.585 1.00 4.14 C ATOM 1587 CD2 LEU A 100 -5.967 -10.381 4.207 1.00 4.43 C ATOM 0 H LEU A 100 -3.359 -7.736 0.605 1.00 24.02 H new ATOM 0 HA LEU A 100 -2.031 -9.535 2.566 1.00 0.20 H new ATOM 0 HB2 LEU A 100 -3.981 -8.420 3.597 1.00 4.21 H new ATOM 0 HB3 LEU A 100 -4.988 -8.853 2.230 1.00 4.21 H new ATOM 0 HG LEU A 100 -4.633 -11.300 2.820 1.00 44.04 H new ATOM 0 HD11 LEU A 100 -3.818 -11.875 5.072 1.00 4.14 H new ATOM 0 HD12 LEU A 100 -2.554 -11.124 4.068 1.00 4.14 H new ATOM 0 HD13 LEU A 100 -3.365 -10.174 5.335 1.00 4.14 H new ATOM 0 HD21 LEU A 100 -6.229 -11.315 4.704 1.00 4.43 H new ATOM 0 HD22 LEU A 100 -5.961 -9.571 4.937 1.00 4.43 H new ATOM 0 HD23 LEU A 100 -6.702 -10.164 3.431 1.00 4.43 H new ATOM 1599 N LEU A 101 -2.289 -11.410 0.896 1.00 25.15 N ATOM 1600 CA LEU A 101 -2.394 -12.532 -0.039 1.00 25.12 C ATOM 1601 C LEU A 101 -2.790 -13.764 0.783 1.00 52.33 C ATOM 1602 O LEU A 101 -2.033 -14.198 1.657 1.00 64.33 O ATOM 1603 CB LEU A 101 -1.055 -12.754 -0.797 1.00 71.35 C ATOM 1604 CG LEU A 101 -1.046 -13.884 -1.883 1.00 31.30 C ATOM 1605 CD1 LEU A 101 -2.065 -13.604 -3.003 1.00 64.44 C ATOM 1606 CD2 LEU A 101 0.372 -14.095 -2.454 1.00 21.01 C ATOM 0 H LEU A 101 -1.525 -11.512 1.564 1.00 25.15 H new ATOM 0 HA LEU A 101 -3.145 -12.332 -0.803 1.00 25.12 H new ATOM 0 HB2 LEU A 101 -0.775 -11.816 -1.278 1.00 71.35 H new ATOM 0 HB3 LEU A 101 -0.281 -12.979 -0.063 1.00 71.35 H new ATOM 0 HG LEU A 101 -1.350 -14.810 -1.394 1.00 31.30 H new ATOM 0 HD11 LEU A 101 -2.029 -14.409 -3.737 1.00 64.44 H new ATOM 0 HD12 LEU A 101 -3.067 -13.545 -2.577 1.00 64.44 H new ATOM 0 HD13 LEU A 101 -1.821 -12.659 -3.489 1.00 64.44 H new ATOM 0 HD21 LEU A 101 0.348 -14.885 -3.205 1.00 21.01 H new ATOM 0 HD22 LEU A 101 0.721 -13.169 -2.912 1.00 21.01 H new ATOM 0 HD23 LEU A 101 1.050 -14.380 -1.649 1.00 21.01 H new ATOM 1618 N GLU A 102 -3.987 -14.287 0.495 1.00 2.44 N ATOM 1619 CA GLU A 102 -4.662 -15.340 1.276 1.00 61.24 C ATOM 1620 C GLU A 102 -3.838 -16.652 1.385 1.00 31.02 C ATOM 1621 O GLU A 102 -3.015 -16.940 0.507 1.00 65.02 O ATOM 1622 CB GLU A 102 -6.044 -15.600 0.626 1.00 20.11 C ATOM 1623 CG GLU A 102 -7.014 -14.403 0.697 1.00 65.40 C ATOM 1624 CD GLU A 102 -7.518 -14.119 2.120 1.00 52.44 C ATOM 1625 OE1 GLU A 102 -8.542 -14.721 2.531 1.00 62.23 O ATOM 1626 OE2 GLU A 102 -6.900 -13.307 2.835 1.00 71.20 O ATOM 0 H GLU A 102 -4.533 -13.983 -0.311 1.00 2.44 H new ATOM 0 HA GLU A 102 -4.774 -14.991 2.303 1.00 61.24 H new ATOM 0 HB2 GLU A 102 -5.896 -15.871 -0.419 1.00 20.11 H new ATOM 0 HB3 GLU A 102 -6.507 -16.457 1.115 1.00 20.11 H new ATOM 0 HG2 GLU A 102 -6.514 -13.515 0.311 1.00 65.40 H new ATOM 0 HG3 GLU A 102 -7.868 -14.596 0.047 1.00 65.40 H new ATOM 1633 N PRO A 103 -4.041 -17.454 2.502 1.00 45.52 N ATOM 1634 CA PRO A 103 -3.328 -18.736 2.747 1.00 70.34 C ATOM 1635 C PRO A 103 -3.276 -19.684 1.517 1.00 30.04 C ATOM 1636 O PRO A 103 -2.244 -19.766 0.836 1.00 72.50 O ATOM 1637 CB PRO A 103 -4.115 -19.365 3.928 1.00 15.21 C ATOM 1638 CG PRO A 103 -4.650 -18.187 4.687 1.00 51.23 C ATOM 1639 CD PRO A 103 -4.963 -17.132 3.641 1.00 14.25 C ATOM 0 HA PRO A 103 -2.273 -18.566 2.963 1.00 70.34 H new ATOM 0 HB2 PRO A 103 -4.920 -20.008 3.572 1.00 15.21 H new ATOM 0 HB3 PRO A 103 -3.469 -19.981 4.553 1.00 15.21 H new ATOM 0 HG2 PRO A 103 -5.543 -18.457 5.250 1.00 51.23 H new ATOM 0 HG3 PRO A 103 -3.918 -17.820 5.407 1.00 51.23 H new ATOM 0 HD2 PRO A 103 -6.007 -17.176 3.332 1.00 14.25 H new ATOM 0 HD3 PRO A 103 -4.786 -16.127 4.024 1.00 14.25 H new ATOM 1647 N GLY A 104 -4.402 -20.353 1.221 1.00 2.11 N ATOM 1648 CA GLY A 104 -4.477 -21.327 0.124 1.00 64.43 C ATOM 1649 C GLY A 104 -4.968 -20.712 -1.179 1.00 60.53 C ATOM 1650 O GLY A 104 -4.698 -21.243 -2.262 1.00 65.22 O ATOM 0 H GLY A 104 -5.277 -20.235 1.731 1.00 2.11 H new ATOM 0 HA2 GLY A 104 -3.492 -21.765 -0.035 1.00 64.43 H new ATOM 0 HA3 GLY A 104 -5.144 -22.140 0.411 1.00 64.43 H new ATOM 1654 N ASN A 105 -5.679 -19.580 -1.071 1.00 43.32 N ATOM 1655 CA ASN A 105 -6.284 -18.883 -2.223 1.00 5.43 C ATOM 1656 C ASN A 105 -5.323 -17.815 -2.766 1.00 35.11 C ATOM 1657 O ASN A 105 -4.647 -17.127 -1.999 1.00 30.00 O ATOM 1658 CB ASN A 105 -7.637 -18.234 -1.807 1.00 43.12 C ATOM 1659 CG ASN A 105 -8.725 -19.271 -1.485 1.00 54.12 C ATOM 1660 OD1 ASN A 105 -8.771 -20.346 -2.081 1.00 52.15 O ATOM 1661 ND2 ASN A 105 -9.603 -18.969 -0.539 1.00 54.10 N ATOM 0 H ASN A 105 -5.853 -19.117 -0.179 1.00 43.32 H new ATOM 0 HA ASN A 105 -6.474 -19.611 -3.012 1.00 5.43 H new ATOM 0 HB2 ASN A 105 -7.477 -17.600 -0.935 1.00 43.12 H new ATOM 0 HB3 ASN A 105 -7.986 -17.587 -2.612 1.00 43.12 H new ATOM 0 HD21 ASN A 105 -10.336 -19.634 -0.292 1.00 54.10 H new ATOM 0 HD22 ASN A 105 -9.546 -18.071 -0.058 1.00 54.10 H new ATOM 1668 N SER A 106 -5.288 -17.695 -4.101 1.00 62.24 N ATOM 1669 CA SER A 106 -4.509 -16.680 -4.831 1.00 74.21 C ATOM 1670 C SER A 106 -5.320 -15.369 -4.932 1.00 70.42 C ATOM 1671 O SER A 106 -5.616 -14.874 -6.023 1.00 21.14 O ATOM 1672 CB SER A 106 -4.167 -17.244 -6.237 1.00 54.44 C ATOM 1673 OG SER A 106 -3.559 -18.524 -6.143 1.00 24.01 O ATOM 0 H SER A 106 -5.812 -18.315 -4.719 1.00 62.24 H new ATOM 0 HA SER A 106 -3.583 -16.454 -4.303 1.00 74.21 H new ATOM 0 HB2 SER A 106 -5.076 -17.313 -6.835 1.00 54.44 H new ATOM 0 HB3 SER A 106 -3.497 -16.557 -6.754 1.00 54.44 H new ATOM 0 HG SER A 106 -3.356 -18.856 -7.042 1.00 24.01 H new ATOM 1679 N GLU A 107 -5.694 -14.828 -3.771 1.00 70.35 N ATOM 1680 CA GLU A 107 -6.502 -13.618 -3.654 1.00 50.32 C ATOM 1681 C GLU A 107 -5.711 -12.567 -2.867 1.00 41.23 C ATOM 1682 O GLU A 107 -5.235 -12.844 -1.769 1.00 23.54 O ATOM 1683 CB GLU A 107 -7.831 -13.973 -2.945 1.00 45.40 C ATOM 1684 CG GLU A 107 -8.727 -12.771 -2.641 1.00 13.30 C ATOM 1685 CD GLU A 107 -10.009 -13.164 -1.903 1.00 74.22 C ATOM 1686 OE1 GLU A 107 -10.997 -13.539 -2.567 1.00 75.15 O ATOM 1687 OE2 GLU A 107 -10.029 -13.117 -0.660 1.00 21.25 O ATOM 0 H GLU A 107 -5.437 -15.229 -2.869 1.00 70.35 H new ATOM 0 HA GLU A 107 -6.734 -13.207 -4.637 1.00 50.32 H new ATOM 0 HB2 GLU A 107 -8.385 -14.675 -3.569 1.00 45.40 H new ATOM 0 HB3 GLU A 107 -7.604 -14.487 -2.011 1.00 45.40 H new ATOM 0 HG2 GLU A 107 -8.172 -12.052 -2.039 1.00 13.30 H new ATOM 0 HG3 GLU A 107 -8.988 -12.272 -3.574 1.00 13.30 H new ATOM 1694 N MET A 108 -5.552 -11.374 -3.451 1.00 15.21 N ATOM 1695 CA MET A 108 -4.864 -10.244 -2.825 1.00 24.45 C ATOM 1696 C MET A 108 -5.872 -9.128 -2.524 1.00 1.02 C ATOM 1697 O MET A 108 -6.533 -8.620 -3.427 1.00 74.43 O ATOM 1698 CB MET A 108 -3.703 -9.718 -3.709 1.00 62.11 C ATOM 1699 CG MET A 108 -2.943 -8.521 -3.101 1.00 65.21 C ATOM 1700 SD MET A 108 -1.417 -8.130 -3.978 1.00 52.23 S ATOM 1701 CE MET A 108 -0.397 -9.547 -3.567 1.00 11.13 C ATOM 0 H MET A 108 -5.904 -11.165 -4.386 1.00 15.21 H new ATOM 0 HA MET A 108 -4.422 -10.588 -1.890 1.00 24.45 H new ATOM 0 HB2 MET A 108 -2.998 -10.530 -3.886 1.00 62.11 H new ATOM 0 HB3 MET A 108 -4.103 -9.426 -4.680 1.00 62.11 H new ATOM 0 HG2 MET A 108 -3.592 -7.646 -3.107 1.00 65.21 H new ATOM 0 HG3 MET A 108 -2.710 -8.738 -2.059 1.00 65.21 H new ATOM 0 HE1 MET A 108 0.652 -9.253 -3.569 1.00 11.13 H new ATOM 0 HE2 MET A 108 -0.669 -9.916 -2.578 1.00 11.13 H new ATOM 0 HE3 MET A 108 -0.554 -10.334 -4.304 1.00 11.13 H new ATOM 1711 N GLN A 109 -5.976 -8.762 -1.238 1.00 21.00 N ATOM 1712 CA GLN A 109 -6.866 -7.725 -0.729 1.00 4.41 C ATOM 1713 C GLN A 109 -6.017 -6.500 -0.375 1.00 2.52 C ATOM 1714 O GLN A 109 -5.100 -6.590 0.453 1.00 33.42 O ATOM 1715 CB GLN A 109 -7.635 -8.244 0.515 1.00 3.13 C ATOM 1716 CG GLN A 109 -8.494 -9.496 0.251 1.00 2.20 C ATOM 1717 CD GLN A 109 -9.316 -9.938 1.472 1.00 2.02 C ATOM 1718 OE1 GLN A 109 -9.713 -9.115 2.304 1.00 43.12 O ATOM 1719 NE2 GLN A 109 -9.576 -11.234 1.602 1.00 11.21 N ATOM 0 H GLN A 109 -5.420 -9.200 -0.503 1.00 21.00 H new ATOM 0 HA GLN A 109 -7.604 -7.454 -1.484 1.00 4.41 H new ATOM 0 HB2 GLN A 109 -6.917 -8.470 1.304 1.00 3.13 H new ATOM 0 HB3 GLN A 109 -8.279 -7.448 0.888 1.00 3.13 H new ATOM 0 HG2 GLN A 109 -9.170 -9.296 -0.580 1.00 2.20 H new ATOM 0 HG3 GLN A 109 -7.844 -10.315 -0.057 1.00 2.20 H new ATOM 0 HE21 GLN A 109 -9.238 -11.895 0.902 1.00 11.21 H new ATOM 0 HE22 GLN A 109 -10.114 -11.569 2.401 1.00 11.21 H new ATOM 1728 N ILE A 110 -6.320 -5.374 -1.027 1.00 71.10 N ATOM 1729 CA ILE A 110 -5.585 -4.107 -0.881 1.00 72.15 C ATOM 1730 C ILE A 110 -6.442 -3.168 -0.015 1.00 2.15 C ATOM 1731 O ILE A 110 -7.521 -2.765 -0.446 1.00 21.41 O ATOM 1732 CB ILE A 110 -5.282 -3.406 -2.280 1.00 13.43 C ATOM 1733 CG1 ILE A 110 -4.469 -4.336 -3.258 1.00 31.24 C ATOM 1734 CG2 ILE A 110 -4.537 -2.060 -2.063 1.00 30.43 C ATOM 1735 CD1 ILE A 110 -5.273 -5.438 -3.947 1.00 13.21 C ATOM 0 H ILE A 110 -7.097 -5.313 -1.685 1.00 71.10 H new ATOM 0 HA ILE A 110 -4.620 -4.318 -0.420 1.00 72.15 H new ATOM 0 HB ILE A 110 -6.244 -3.210 -2.754 1.00 13.43 H new ATOM 0 HG12 ILE A 110 -4.011 -3.712 -4.025 1.00 31.24 H new ATOM 0 HG13 ILE A 110 -3.657 -4.800 -2.698 1.00 31.24 H new ATOM 0 HG21 ILE A 110 -4.338 -1.595 -3.028 1.00 30.43 H new ATOM 0 HG22 ILE A 110 -5.155 -1.395 -1.460 1.00 30.43 H new ATOM 0 HG23 ILE A 110 -3.594 -2.245 -1.548 1.00 30.43 H new ATOM 0 HD11 ILE A 110 -4.615 -6.017 -4.596 1.00 13.21 H new ATOM 0 HD12 ILE A 110 -5.710 -6.095 -3.194 1.00 13.21 H new ATOM 0 HD13 ILE A 110 -6.068 -4.990 -4.543 1.00 13.21 H new ATOM 1747 N SER A 111 -5.960 -2.802 1.187 1.00 42.43 N ATOM 1748 CA SER A 111 -6.710 -1.937 2.115 1.00 32.14 C ATOM 1749 C SER A 111 -5.984 -0.587 2.219 1.00 15.51 C ATOM 1750 O SER A 111 -4.923 -0.492 2.837 1.00 4.35 O ATOM 1751 CB SER A 111 -6.819 -2.623 3.495 1.00 24.24 C ATOM 1752 OG SER A 111 -7.358 -3.928 3.376 1.00 54.41 O ATOM 0 H SER A 111 -5.049 -3.094 1.539 1.00 42.43 H new ATOM 0 HA SER A 111 -7.722 -1.768 1.747 1.00 32.14 H new ATOM 0 HB2 SER A 111 -5.833 -2.674 3.958 1.00 24.24 H new ATOM 0 HB3 SER A 111 -7.449 -2.025 4.153 1.00 24.24 H new ATOM 0 HG SER A 111 -6.837 -4.549 3.927 1.00 54.41 H new ATOM 1758 N VAL A 112 -6.558 0.444 1.585 1.00 71.42 N ATOM 1759 CA VAL A 112 -5.988 1.798 1.545 1.00 33.04 C ATOM 1760 C VAL A 112 -6.782 2.716 2.497 1.00 44.20 C ATOM 1761 O VAL A 112 -8.014 2.713 2.484 1.00 64.31 O ATOM 1762 CB VAL A 112 -6.018 2.405 0.087 1.00 34.24 C ATOM 1763 CG1 VAL A 112 -5.236 3.739 0.023 1.00 61.53 C ATOM 1764 CG2 VAL A 112 -5.490 1.400 -0.965 1.00 22.23 C ATOM 0 H VAL A 112 -7.440 0.361 1.080 1.00 71.42 H new ATOM 0 HA VAL A 112 -4.947 1.732 1.860 1.00 33.04 H new ATOM 0 HB VAL A 112 -7.060 2.612 -0.156 1.00 34.24 H new ATOM 0 HG11 VAL A 112 -5.273 4.134 -0.992 1.00 61.53 H new ATOM 0 HG12 VAL A 112 -5.685 4.457 0.709 1.00 61.53 H new ATOM 0 HG13 VAL A 112 -4.198 3.566 0.307 1.00 61.53 H new ATOM 0 HG21 VAL A 112 -5.527 1.856 -1.954 1.00 22.23 H new ATOM 0 HG22 VAL A 112 -4.461 1.132 -0.727 1.00 22.23 H new ATOM 0 HG23 VAL A 112 -6.110 0.504 -0.955 1.00 22.23 H new ATOM 1774 N LYS A 113 -6.059 3.485 3.320 1.00 33.13 N ATOM 1775 CA LYS A 113 -6.617 4.478 4.241 1.00 2.33 C ATOM 1776 C LYS A 113 -5.648 5.671 4.326 1.00 45.34 C ATOM 1777 O LYS A 113 -4.529 5.551 4.828 1.00 23.22 O ATOM 1778 CB LYS A 113 -6.867 3.848 5.650 1.00 70.41 C ATOM 1779 CG LYS A 113 -5.634 3.171 6.288 1.00 43.20 C ATOM 1780 CD LYS A 113 -5.843 2.777 7.767 1.00 44.22 C ATOM 1781 CE LYS A 113 -6.881 1.679 7.957 1.00 43.21 C ATOM 1782 NZ LYS A 113 -6.941 1.235 9.375 1.00 71.41 N ATOM 0 H LYS A 113 -5.041 3.431 3.364 1.00 33.13 H new ATOM 0 HA LYS A 113 -7.581 4.825 3.870 1.00 2.33 H new ATOM 0 HB2 LYS A 113 -7.224 4.628 6.323 1.00 70.41 H new ATOM 0 HB3 LYS A 113 -7.665 3.111 5.566 1.00 70.41 H new ATOM 0 HG2 LYS A 113 -5.382 2.279 5.715 1.00 43.20 H new ATOM 0 HG3 LYS A 113 -4.781 3.846 6.217 1.00 43.20 H new ATOM 0 HD2 LYS A 113 -4.893 2.445 8.185 1.00 44.22 H new ATOM 0 HD3 LYS A 113 -6.149 3.658 8.331 1.00 44.22 H new ATOM 0 HE2 LYS A 113 -7.860 2.043 7.645 1.00 43.21 H new ATOM 0 HE3 LYS A 113 -6.638 0.830 7.317 1.00 43.21 H new ATOM 0 HZ1 LYS A 113 -6.648 0.239 9.440 1.00 71.41 H new ATOM 0 HZ2 LYS A 113 -6.303 1.822 9.950 1.00 71.41 H new ATOM 0 HZ3 LYS A 113 -7.914 1.333 9.729 1.00 71.41 H new ATOM 1796 N GLN A 114 -6.045 6.815 3.767 1.00 12.10 N ATOM 1797 CA GLN A 114 -5.281 8.066 3.908 1.00 14.43 C ATOM 1798 C GLN A 114 -5.940 8.976 4.958 1.00 73.31 C ATOM 1799 O GLN A 114 -7.126 8.804 5.266 1.00 63.41 O ATOM 1800 CB GLN A 114 -5.141 8.761 2.537 1.00 63.15 C ATOM 1801 CG GLN A 114 -6.457 9.199 1.899 1.00 64.14 C ATOM 1802 CD GLN A 114 -6.270 9.840 0.526 1.00 62.42 C ATOM 1803 OE1 GLN A 114 -6.375 9.181 -0.507 1.00 4.03 O ATOM 1804 NE2 GLN A 114 -5.937 11.124 0.513 1.00 45.42 N ATOM 0 H GLN A 114 -6.894 6.906 3.209 1.00 12.10 H new ATOM 0 HA GLN A 114 -4.275 7.840 4.262 1.00 14.43 H new ATOM 0 HB2 GLN A 114 -4.502 9.636 2.654 1.00 63.15 H new ATOM 0 HB3 GLN A 114 -4.631 8.083 1.853 1.00 63.15 H new ATOM 0 HG2 GLN A 114 -7.114 8.334 1.804 1.00 64.14 H new ATOM 0 HG3 GLN A 114 -6.957 9.908 2.560 1.00 64.14 H new ATOM 0 HE21 GLN A 114 -5.859 11.640 1.390 1.00 45.42 H new ATOM 0 HE22 GLN A 114 -5.759 11.596 -0.374 1.00 45.42 H new ATOM 1813 N ASN A 115 -5.154 9.939 5.485 1.00 23.13 N ATOM 1814 CA ASN A 115 -5.538 10.751 6.656 1.00 41.44 C ATOM 1815 C ASN A 115 -6.631 11.766 6.287 1.00 4.12 C ATOM 1816 O ASN A 115 -7.716 11.750 6.868 1.00 61.11 O ATOM 1817 CB ASN A 115 -4.294 11.455 7.257 1.00 41.52 C ATOM 1818 CG ASN A 115 -4.612 12.288 8.508 1.00 33.55 C ATOM 1819 OD1 ASN A 115 -5.496 11.953 9.303 1.00 11.22 O ATOM 1820 ND2 ASN A 115 -3.892 13.375 8.688 1.00 2.14 N ATOM 0 H ASN A 115 -4.235 10.174 5.109 1.00 23.13 H new ATOM 0 HA ASN A 115 -5.951 10.087 7.416 1.00 41.44 H new ATOM 0 HB2 ASN A 115 -3.547 10.703 7.510 1.00 41.52 H new ATOM 0 HB3 ASN A 115 -3.851 12.103 6.501 1.00 41.52 H new ATOM 0 HD21 ASN A 115 -4.057 13.967 9.502 1.00 2.14 H new ATOM 0 HD22 ASN A 115 -3.169 13.625 8.014 1.00 2.14 H new ATOM 1827 N GLU A 116 -6.339 12.655 5.329 1.00 21.54 N ATOM 1828 CA GLU A 116 -7.362 13.506 4.703 1.00 11.44 C ATOM 1829 C GLU A 116 -7.663 12.900 3.333 1.00 31.34 C ATOM 1830 O GLU A 116 -6.837 12.985 2.419 1.00 20.42 O ATOM 1831 CB GLU A 116 -6.860 14.965 4.574 1.00 21.30 C ATOM 1832 CG GLU A 116 -6.653 15.672 5.918 1.00 65.45 C ATOM 1833 CD GLU A 116 -6.033 17.065 5.762 1.00 74.32 C ATOM 1834 OE1 GLU A 116 -6.776 18.048 5.579 1.00 52.45 O ATOM 1835 OE2 GLU A 116 -4.783 17.173 5.804 1.00 64.04 O ATOM 0 H GLU A 116 -5.397 12.805 4.968 1.00 21.54 H new ATOM 0 HA GLU A 116 -8.266 13.542 5.312 1.00 11.44 H new ATOM 0 HB2 GLU A 116 -5.919 14.968 4.025 1.00 21.30 H new ATOM 0 HB3 GLU A 116 -7.576 15.534 3.982 1.00 21.30 H new ATOM 0 HG2 GLU A 116 -7.612 15.760 6.429 1.00 65.45 H new ATOM 0 HG3 GLU A 116 -6.009 15.061 6.551 1.00 65.45 H new ATOM 1842 N ALA A 117 -8.831 12.256 3.220 1.00 41.25 N ATOM 1843 CA ALA A 117 -9.217 11.479 2.040 1.00 35.02 C ATOM 1844 C ALA A 117 -9.885 12.372 0.985 1.00 4.24 C ATOM 1845 O ALA A 117 -10.922 12.989 1.254 1.00 11.12 O ATOM 1846 CB ALA A 117 -10.146 10.319 2.463 1.00 72.22 C ATOM 0 H ALA A 117 -9.540 12.261 3.953 1.00 41.25 H new ATOM 0 HA ALA A 117 -8.320 11.059 1.585 1.00 35.02 H new ATOM 0 HB1 ALA A 117 -10.432 9.742 1.583 1.00 72.22 H new ATOM 0 HB2 ALA A 117 -9.623 9.672 3.167 1.00 72.22 H new ATOM 0 HB3 ALA A 117 -11.040 10.723 2.938 1.00 72.22 H new ATOM 1852 N ARG A 118 -9.263 12.454 -0.207 1.00 63.34 N ATOM 1853 CA ARG A 118 -9.879 13.050 -1.403 1.00 52.15 C ATOM 1854 C ARG A 118 -10.236 11.911 -2.356 1.00 22.11 C ATOM 1855 O ARG A 118 -9.546 10.879 -2.379 1.00 44.21 O ATOM 1856 CB ARG A 118 -8.934 14.043 -2.150 1.00 75.33 C ATOM 1857 CG ARG A 118 -8.421 15.260 -1.341 1.00 75.35 C ATOM 1858 CD ARG A 118 -7.272 14.931 -0.353 1.00 53.01 C ATOM 1859 NE ARG A 118 -6.490 16.131 0.000 1.00 23.23 N ATOM 1860 CZ ARG A 118 -5.177 16.294 -0.237 1.00 60.12 C ATOM 1861 NH1 ARG A 118 -4.470 15.344 -0.828 1.00 64.34 N ATOM 1862 NH2 ARG A 118 -4.574 17.403 0.141 1.00 3.14 N ATOM 0 H ARG A 118 -8.317 12.107 -0.365 1.00 63.34 H new ATOM 0 HA ARG A 118 -10.752 13.619 -1.083 1.00 52.15 H new ATOM 0 HB2 ARG A 118 -8.069 13.485 -2.509 1.00 75.33 H new ATOM 0 HB3 ARG A 118 -9.460 14.416 -3.029 1.00 75.33 H new ATOM 0 HG2 ARG A 118 -8.078 16.026 -2.037 1.00 75.35 H new ATOM 0 HG3 ARG A 118 -9.254 15.687 -0.782 1.00 75.35 H new ATOM 0 HD2 ARG A 118 -7.687 14.489 0.553 1.00 53.01 H new ATOM 0 HD3 ARG A 118 -6.613 14.186 -0.798 1.00 53.01 H new ATOM 0 HE ARG A 118 -6.984 16.896 0.459 1.00 23.23 H new ATOM 0 HH11 ARG A 118 -4.921 14.474 -1.110 1.00 64.34 H new ATOM 0 HH12 ARG A 118 -3.474 15.482 -1.001 1.00 64.34 H new ATOM 0 HH21 ARG A 118 -5.104 18.136 0.613 1.00 3.14 H new ATOM 0 HH22 ARG A 118 -3.578 17.528 -0.038 1.00 3.14 H new ATOM 1876 N THR A 119 -11.294 12.117 -3.155 1.00 32.05 N ATOM 1877 CA THR A 119 -11.730 11.160 -4.171 1.00 71.40 C ATOM 1878 C THR A 119 -10.639 10.998 -5.253 1.00 13.20 C ATOM 1879 O THR A 119 -10.326 9.874 -5.660 1.00 0.23 O ATOM 1880 CB THR A 119 -13.097 11.588 -4.817 1.00 42.41 C ATOM 1881 OG1 THR A 119 -14.045 11.932 -3.779 1.00 73.12 O ATOM 1882 CG2 THR A 119 -13.692 10.460 -5.693 1.00 72.41 C ATOM 0 H THR A 119 -11.871 12.957 -3.111 1.00 32.05 H new ATOM 0 HA THR A 119 -11.887 10.198 -3.683 1.00 71.40 H new ATOM 0 HB THR A 119 -12.905 12.452 -5.453 1.00 42.41 H new ATOM 0 HG1 THR A 119 -14.895 12.200 -4.188 1.00 73.12 H new ATOM 0 HG21 THR A 119 -14.637 10.793 -6.123 1.00 72.41 H new ATOM 0 HG22 THR A 119 -12.995 10.216 -6.495 1.00 72.41 H new ATOM 0 HG23 THR A 119 -13.864 9.575 -5.080 1.00 72.41 H new ATOM 1890 N GLU A 120 -10.035 12.135 -5.664 1.00 3.23 N ATOM 1891 CA GLU A 120 -8.978 12.153 -6.692 1.00 22.35 C ATOM 1892 C GLU A 120 -7.722 11.405 -6.221 1.00 32.22 C ATOM 1893 O GLU A 120 -7.223 10.526 -6.928 1.00 23.44 O ATOM 1894 CB GLU A 120 -8.609 13.608 -7.074 1.00 2.03 C ATOM 1895 CG GLU A 120 -7.527 13.754 -8.172 1.00 2.23 C ATOM 1896 CD GLU A 120 -7.939 13.121 -9.512 1.00 72.24 C ATOM 1897 OE1 GLU A 120 -8.639 13.776 -10.304 1.00 42.43 O ATOM 1898 OE2 GLU A 120 -7.580 11.951 -9.773 1.00 43.44 O ATOM 0 H GLU A 120 -10.266 13.057 -5.294 1.00 3.23 H new ATOM 0 HA GLU A 120 -9.372 11.642 -7.571 1.00 22.35 H new ATOM 0 HB2 GLU A 120 -9.513 14.118 -7.408 1.00 2.03 H new ATOM 0 HB3 GLU A 120 -8.265 14.124 -6.178 1.00 2.03 H new ATOM 0 HG2 GLU A 120 -7.315 14.812 -8.327 1.00 2.23 H new ATOM 0 HG3 GLU A 120 -6.603 13.291 -7.827 1.00 2.23 H new ATOM 1905 N THR A 121 -7.241 11.758 -5.015 1.00 1.44 N ATOM 1906 CA THR A 121 -5.996 11.204 -4.457 1.00 2.24 C ATOM 1907 C THR A 121 -6.095 9.689 -4.263 1.00 1.44 C ATOM 1908 O THR A 121 -5.170 8.963 -4.611 1.00 33.23 O ATOM 1909 CB THR A 121 -5.635 11.873 -3.095 1.00 63.34 C ATOM 1910 OG1 THR A 121 -6.724 11.716 -2.173 1.00 32.24 O ATOM 1911 CG2 THR A 121 -5.318 13.362 -3.263 1.00 34.35 C ATOM 0 H THR A 121 -7.702 12.432 -4.404 1.00 1.44 H new ATOM 0 HA THR A 121 -5.208 11.419 -5.178 1.00 2.24 H new ATOM 0 HB THR A 121 -4.744 11.379 -2.707 1.00 63.34 H new ATOM 0 HG1 THR A 121 -6.745 10.792 -1.846 1.00 32.24 H new ATOM 0 HG21 THR A 121 -5.071 13.793 -2.293 1.00 34.35 H new ATOM 0 HG22 THR A 121 -4.471 13.480 -3.938 1.00 34.35 H new ATOM 0 HG23 THR A 121 -6.186 13.874 -3.678 1.00 34.35 H new ATOM 1919 N LEU A 122 -7.242 9.240 -3.713 1.00 40.13 N ATOM 1920 CA LEU A 122 -7.506 7.825 -3.456 1.00 42.41 C ATOM 1921 C LEU A 122 -7.509 7.027 -4.778 1.00 72.24 C ATOM 1922 O LEU A 122 -6.816 6.022 -4.880 1.00 43.11 O ATOM 1923 CB LEU A 122 -8.845 7.665 -2.685 1.00 15.22 C ATOM 1924 CG LEU A 122 -9.196 6.230 -2.174 1.00 71.23 C ATOM 1925 CD1 LEU A 122 -8.079 5.655 -1.280 1.00 60.24 C ATOM 1926 CD2 LEU A 122 -10.552 6.225 -1.434 1.00 4.10 C ATOM 0 H LEU A 122 -8.007 9.856 -3.437 1.00 40.13 H new ATOM 0 HA LEU A 122 -6.710 7.420 -2.832 1.00 42.41 H new ATOM 0 HB2 LEU A 122 -8.825 8.336 -1.826 1.00 15.22 H new ATOM 0 HB3 LEU A 122 -9.653 8.002 -3.334 1.00 15.22 H new ATOM 0 HG LEU A 122 -9.281 5.583 -3.047 1.00 71.23 H new ATOM 0 HD11 LEU A 122 -8.359 4.657 -0.944 1.00 60.24 H new ATOM 0 HD12 LEU A 122 -7.151 5.599 -1.848 1.00 60.24 H new ATOM 0 HD13 LEU A 122 -7.936 6.302 -0.415 1.00 60.24 H new ATOM 0 HD21 LEU A 122 -10.774 5.215 -1.088 1.00 4.10 H new ATOM 0 HD22 LEU A 122 -10.502 6.899 -0.579 1.00 4.10 H new ATOM 0 HD23 LEU A 122 -11.338 6.557 -2.112 1.00 4.10 H new ATOM 1938 N ASN A 123 -8.229 7.545 -5.810 1.00 71.21 N ATOM 1939 CA ASN A 123 -8.331 6.876 -7.137 1.00 63.21 C ATOM 1940 C ASN A 123 -6.951 6.785 -7.819 1.00 33.13 C ATOM 1941 O ASN A 123 -6.553 5.715 -8.293 1.00 15.54 O ATOM 1942 CB ASN A 123 -9.333 7.620 -8.073 1.00 45.04 C ATOM 1943 CG ASN A 123 -10.803 7.450 -7.659 1.00 51.14 C ATOM 1944 OD1 ASN A 123 -11.200 6.430 -7.093 1.00 13.31 O ATOM 1945 ND2 ASN A 123 -11.628 8.448 -7.939 1.00 11.22 N ATOM 0 H ASN A 123 -8.746 8.422 -5.749 1.00 71.21 H new ATOM 0 HA ASN A 123 -8.705 5.867 -6.961 1.00 63.21 H new ATOM 0 HB2 ASN A 123 -9.088 8.682 -8.083 1.00 45.04 H new ATOM 0 HB3 ASN A 123 -9.206 7.254 -9.092 1.00 45.04 H new ATOM 0 HD21 ASN A 123 -12.614 8.381 -7.685 1.00 11.22 H new ATOM 0 HD22 ASN A 123 -11.277 9.283 -8.408 1.00 11.22 H new ATOM 1952 N SER A 124 -6.222 7.912 -7.823 1.00 34.33 N ATOM 1953 CA SER A 124 -4.909 8.029 -8.488 1.00 62.15 C ATOM 1954 C SER A 124 -3.845 7.159 -7.784 1.00 71.53 C ATOM 1955 O SER A 124 -3.002 6.554 -8.452 1.00 32.11 O ATOM 1956 CB SER A 124 -4.457 9.504 -8.529 1.00 54.31 C ATOM 1957 OG SER A 124 -5.358 10.305 -9.267 1.00 11.42 O ATOM 0 H SER A 124 -6.525 8.771 -7.365 1.00 34.33 H new ATOM 0 HA SER A 124 -5.017 7.665 -9.510 1.00 62.15 H new ATOM 0 HB2 SER A 124 -4.376 9.889 -7.512 1.00 54.31 H new ATOM 0 HB3 SER A 124 -3.464 9.568 -8.974 1.00 54.31 H new ATOM 0 HG SER A 124 -6.116 10.554 -8.698 1.00 11.42 H new ATOM 1963 N PHE A 125 -3.922 7.090 -6.436 1.00 12.42 N ATOM 1964 CA PHE A 125 -3.000 6.288 -5.610 1.00 64.42 C ATOM 1965 C PHE A 125 -3.153 4.795 -5.948 1.00 1.42 C ATOM 1966 O PHE A 125 -2.163 4.086 -6.163 1.00 12.03 O ATOM 1967 CB PHE A 125 -3.269 6.519 -4.094 1.00 44.30 C ATOM 1968 CG PHE A 125 -2.294 5.798 -3.173 1.00 41.11 C ATOM 1969 CD1 PHE A 125 -1.073 6.376 -2.845 1.00 61.25 C ATOM 1970 CD2 PHE A 125 -2.578 4.534 -2.653 1.00 12.01 C ATOM 1971 CE1 PHE A 125 -0.172 5.726 -2.032 1.00 60.24 C ATOM 1972 CE2 PHE A 125 -1.672 3.887 -1.847 1.00 35.42 C ATOM 1973 CZ PHE A 125 -0.468 4.480 -1.533 1.00 73.20 C ATOM 0 H PHE A 125 -4.626 7.590 -5.893 1.00 12.42 H new ATOM 0 HA PHE A 125 -1.980 6.604 -5.830 1.00 64.42 H new ATOM 0 HB2 PHE A 125 -3.225 7.588 -3.887 1.00 44.30 H new ATOM 0 HB3 PHE A 125 -4.282 6.191 -3.862 1.00 44.30 H new ATOM 0 HD1 PHE A 125 -0.827 7.353 -3.235 1.00 61.25 H new ATOM 0 HD2 PHE A 125 -3.520 4.059 -2.887 1.00 12.01 H new ATOM 0 HE1 PHE A 125 0.769 6.196 -1.786 1.00 60.24 H new ATOM 0 HE2 PHE A 125 -1.905 2.907 -1.457 1.00 35.42 H new ATOM 0 HZ PHE A 125 0.240 3.968 -0.898 1.00 73.20 H new ATOM 1983 N ILE A 126 -4.420 4.344 -5.976 1.00 22.35 N ATOM 1984 CA ILE A 126 -4.776 2.963 -6.317 1.00 61.24 C ATOM 1985 C ILE A 126 -4.356 2.650 -7.761 1.00 25.24 C ATOM 1986 O ILE A 126 -3.851 1.577 -8.019 1.00 1.11 O ATOM 1987 CB ILE A 126 -6.314 2.715 -6.120 1.00 74.42 C ATOM 1988 CG1 ILE A 126 -6.705 2.958 -4.629 1.00 12.12 C ATOM 1989 CG2 ILE A 126 -6.737 1.298 -6.582 1.00 33.45 C ATOM 1990 CD1 ILE A 126 -8.190 3.111 -4.394 1.00 41.43 C ATOM 0 H ILE A 126 -5.225 4.932 -5.761 1.00 22.35 H new ATOM 0 HA ILE A 126 -4.241 2.293 -5.644 1.00 61.24 H new ATOM 0 HB ILE A 126 -6.852 3.425 -6.748 1.00 74.42 H new ATOM 0 HG12 ILE A 126 -6.338 2.126 -4.029 1.00 12.12 H new ATOM 0 HG13 ILE A 126 -6.198 3.855 -4.274 1.00 12.12 H new ATOM 0 HG21 ILE A 126 -7.808 1.170 -6.428 1.00 33.45 H new ATOM 0 HG22 ILE A 126 -6.506 1.176 -7.640 1.00 33.45 H new ATOM 0 HG23 ILE A 126 -6.195 0.550 -6.004 1.00 33.45 H new ATOM 0 HD11 ILE A 126 -8.375 3.276 -3.333 1.00 41.43 H new ATOM 0 HD12 ILE A 126 -8.563 3.962 -4.964 1.00 41.43 H new ATOM 0 HD13 ILE A 126 -8.704 2.205 -4.715 1.00 41.43 H new ATOM 2002 N SER A 127 -4.527 3.636 -8.672 1.00 64.21 N ATOM 2003 CA SER A 127 -4.139 3.516 -10.089 1.00 25.54 C ATOM 2004 C SER A 127 -2.631 3.209 -10.238 1.00 74.43 C ATOM 2005 O SER A 127 -2.236 2.410 -11.097 1.00 13.00 O ATOM 2006 CB SER A 127 -4.515 4.803 -10.854 1.00 30.11 C ATOM 2007 OG SER A 127 -4.207 4.692 -12.229 1.00 10.40 O ATOM 0 H SER A 127 -4.940 4.539 -8.440 1.00 64.21 H new ATOM 0 HA SER A 127 -4.687 2.678 -10.521 1.00 25.54 H new ATOM 0 HB2 SER A 127 -5.580 5.003 -10.733 1.00 30.11 H new ATOM 0 HB3 SER A 127 -3.981 5.652 -10.427 1.00 30.11 H new ATOM 0 HG SER A 127 -4.457 5.521 -12.688 1.00 10.40 H new ATOM 2013 N VAL A 128 -1.813 3.845 -9.372 1.00 14.02 N ATOM 2014 CA VAL A 128 -0.373 3.566 -9.267 1.00 34.44 C ATOM 2015 C VAL A 128 -0.159 2.096 -8.861 1.00 51.23 C ATOM 2016 O VAL A 128 0.585 1.370 -9.529 1.00 22.32 O ATOM 2017 CB VAL A 128 0.337 4.534 -8.237 1.00 73.21 C ATOM 2018 CG1 VAL A 128 1.830 4.175 -8.054 1.00 35.45 C ATOM 2019 CG2 VAL A 128 0.174 6.009 -8.674 1.00 24.51 C ATOM 0 H VAL A 128 -2.137 4.566 -8.728 1.00 14.02 H new ATOM 0 HA VAL A 128 0.080 3.743 -10.243 1.00 34.44 H new ATOM 0 HB VAL A 128 -0.150 4.404 -7.271 1.00 73.21 H new ATOM 0 HG11 VAL A 128 2.284 4.861 -7.339 1.00 35.45 H new ATOM 0 HG12 VAL A 128 1.916 3.154 -7.681 1.00 35.45 H new ATOM 0 HG13 VAL A 128 2.344 4.256 -9.012 1.00 35.45 H new ATOM 0 HG21 VAL A 128 0.669 6.659 -7.953 1.00 24.51 H new ATOM 0 HG22 VAL A 128 0.624 6.149 -9.657 1.00 24.51 H new ATOM 0 HG23 VAL A 128 -0.886 6.260 -8.721 1.00 24.51 H new ATOM 2029 N LEU A 129 -0.870 1.669 -7.787 1.00 0.15 N ATOM 2030 CA LEU A 129 -0.846 0.273 -7.291 1.00 71.54 C ATOM 2031 C LEU A 129 -1.260 -0.726 -8.397 1.00 54.33 C ATOM 2032 O LEU A 129 -0.637 -1.772 -8.530 1.00 14.35 O ATOM 2033 CB LEU A 129 -1.779 0.096 -6.054 1.00 35.42 C ATOM 2034 CG LEU A 129 -1.473 1.000 -4.824 1.00 20.32 C ATOM 2035 CD1 LEU A 129 -2.528 0.790 -3.724 1.00 14.10 C ATOM 2036 CD2 LEU A 129 -0.043 0.774 -4.285 1.00 33.04 C ATOM 0 H LEU A 129 -1.475 2.284 -7.242 1.00 0.15 H new ATOM 0 HA LEU A 129 0.181 0.060 -6.992 1.00 71.54 H new ATOM 0 HB2 LEU A 129 -2.805 0.284 -6.370 1.00 35.42 H new ATOM 0 HB3 LEU A 129 -1.729 -0.945 -5.734 1.00 35.42 H new ATOM 0 HG LEU A 129 -1.525 2.038 -5.153 1.00 20.32 H new ATOM 0 HD11 LEU A 129 -2.298 1.430 -2.872 1.00 14.10 H new ATOM 0 HD12 LEU A 129 -3.514 1.044 -4.113 1.00 14.10 H new ATOM 0 HD13 LEU A 129 -2.520 -0.253 -3.407 1.00 14.10 H new ATOM 0 HD21 LEU A 129 0.129 1.424 -3.427 1.00 33.04 H new ATOM 0 HD22 LEU A 129 0.071 -0.266 -3.981 1.00 33.04 H new ATOM 0 HD23 LEU A 129 0.681 1.005 -5.066 1.00 33.04 H new ATOM 2048 N GLU A 130 -2.286 -0.361 -9.212 1.00 14.43 N ATOM 2049 CA GLU A 130 -2.818 -1.216 -10.302 1.00 62.22 C ATOM 2050 C GLU A 130 -1.748 -1.465 -11.360 1.00 3.23 C ATOM 2051 O GLU A 130 -1.597 -2.584 -11.865 1.00 33.20 O ATOM 2052 CB GLU A 130 -4.063 -0.563 -10.981 1.00 11.10 C ATOM 2053 CG GLU A 130 -5.255 -0.335 -10.040 1.00 65.11 C ATOM 2054 CD GLU A 130 -5.828 -1.626 -9.445 1.00 60.11 C ATOM 2055 OE1 GLU A 130 -6.720 -2.225 -10.080 1.00 4.55 O ATOM 2056 OE2 GLU A 130 -5.397 -2.055 -8.349 1.00 71.03 O ATOM 0 H GLU A 130 -2.766 0.535 -9.130 1.00 14.43 H new ATOM 0 HA GLU A 130 -3.117 -2.163 -9.853 1.00 62.22 H new ATOM 0 HB2 GLU A 130 -3.767 0.394 -11.410 1.00 11.10 H new ATOM 0 HB3 GLU A 130 -4.385 -1.197 -11.807 1.00 11.10 H new ATOM 0 HG2 GLU A 130 -4.944 0.322 -9.228 1.00 65.11 H new ATOM 0 HG3 GLU A 130 -6.043 0.184 -10.586 1.00 65.11 H new ATOM 2063 N THR A 131 -1.026 -0.387 -11.695 1.00 74.23 N ATOM 2064 CA THR A 131 0.038 -0.415 -12.691 1.00 42.42 C ATOM 2065 C THR A 131 1.223 -1.276 -12.205 1.00 41.30 C ATOM 2066 O THR A 131 1.708 -2.129 -12.952 1.00 71.50 O ATOM 2067 CB THR A 131 0.489 1.032 -13.044 1.00 73.55 C ATOM 2068 OG1 THR A 131 -0.662 1.772 -13.487 1.00 72.52 O ATOM 2069 CG2 THR A 131 1.570 1.064 -14.144 1.00 70.14 C ATOM 0 H THR A 131 -1.170 0.532 -11.276 1.00 74.23 H new ATOM 0 HA THR A 131 -0.348 -0.876 -13.600 1.00 42.42 H new ATOM 0 HB THR A 131 0.927 1.476 -12.150 1.00 73.55 H new ATOM 0 HG1 THR A 131 -1.219 2.005 -12.715 1.00 72.52 H new ATOM 0 HG21 THR A 131 1.848 2.097 -14.351 1.00 70.14 H new ATOM 0 HG22 THR A 131 2.448 0.513 -13.807 1.00 70.14 H new ATOM 0 HG23 THR A 131 1.179 0.605 -15.052 1.00 70.14 H new ATOM 2077 N VAL A 132 1.625 -1.084 -10.927 1.00 2.34 N ATOM 2078 CA VAL A 132 2.751 -1.818 -10.311 1.00 43.12 C ATOM 2079 C VAL A 132 2.446 -3.329 -10.227 1.00 61.40 C ATOM 2080 O VAL A 132 3.240 -4.147 -10.679 1.00 21.14 O ATOM 2081 CB VAL A 132 3.099 -1.246 -8.881 1.00 10.40 C ATOM 2082 CG1 VAL A 132 4.205 -2.081 -8.196 1.00 5.22 C ATOM 2083 CG2 VAL A 132 3.515 0.242 -8.975 1.00 44.53 C ATOM 0 H VAL A 132 1.178 -0.418 -10.297 1.00 2.34 H new ATOM 0 HA VAL A 132 3.622 -1.676 -10.951 1.00 43.12 H new ATOM 0 HB VAL A 132 2.202 -1.315 -8.266 1.00 10.40 H new ATOM 0 HG11 VAL A 132 4.422 -1.662 -7.214 1.00 5.22 H new ATOM 0 HG12 VAL A 132 3.867 -3.111 -8.084 1.00 5.22 H new ATOM 0 HG13 VAL A 132 5.108 -2.060 -8.807 1.00 5.22 H new ATOM 0 HG21 VAL A 132 3.751 0.617 -7.979 1.00 44.53 H new ATOM 0 HG22 VAL A 132 4.392 0.335 -9.615 1.00 44.53 H new ATOM 0 HG23 VAL A 132 2.695 0.823 -9.397 1.00 44.53 H new ATOM 2093 N ILE A 133 1.272 -3.667 -9.682 1.00 45.53 N ATOM 2094 CA ILE A 133 0.842 -5.062 -9.477 1.00 41.33 C ATOM 2095 C ILE A 133 0.673 -5.783 -10.840 1.00 23.34 C ATOM 2096 O ILE A 133 1.286 -6.833 -11.078 1.00 64.33 O ATOM 2097 CB ILE A 133 -0.497 -5.111 -8.630 1.00 51.04 C ATOM 2098 CG1 ILE A 133 -0.235 -4.647 -7.153 1.00 54.02 C ATOM 2099 CG2 ILE A 133 -1.165 -6.502 -8.664 1.00 71.12 C ATOM 2100 CD1 ILE A 133 -1.466 -4.630 -6.254 1.00 53.33 C ATOM 0 H ILE A 133 0.587 -2.980 -9.368 1.00 45.53 H new ATOM 0 HA ILE A 133 1.613 -5.587 -8.914 1.00 41.33 H new ATOM 0 HB ILE A 133 -1.197 -4.416 -9.095 1.00 51.04 H new ATOM 0 HG12 ILE A 133 0.512 -5.305 -6.709 1.00 54.02 H new ATOM 0 HG13 ILE A 133 0.195 -3.646 -7.174 1.00 54.02 H new ATOM 0 HG21 ILE A 133 -2.078 -6.482 -8.069 1.00 71.12 H new ATOM 0 HG22 ILE A 133 -1.409 -6.763 -9.694 1.00 71.12 H new ATOM 0 HG23 ILE A 133 -0.481 -7.244 -8.254 1.00 71.12 H new ATOM 0 HD11 ILE A 133 -1.183 -4.296 -5.256 1.00 53.33 H new ATOM 0 HD12 ILE A 133 -2.209 -3.948 -6.667 1.00 53.33 H new ATOM 0 HD13 ILE A 133 -1.887 -5.634 -6.195 1.00 53.33 H new ATOM 2112 N GLY A 134 -0.106 -5.148 -11.730 1.00 14.35 N ATOM 2113 CA GLY A 134 -0.451 -5.708 -13.037 1.00 71.43 C ATOM 2114 C GLY A 134 0.755 -6.034 -13.913 1.00 13.31 C ATOM 2115 O GLY A 134 0.816 -7.111 -14.509 1.00 72.33 O ATOM 0 H GLY A 134 -0.513 -4.229 -11.558 1.00 14.35 H new ATOM 0 HA2 GLY A 134 -1.035 -6.616 -12.888 1.00 71.43 H new ATOM 0 HA3 GLY A 134 -1.090 -5.001 -13.566 1.00 71.43 H new ATOM 2119 N THR A 135 1.724 -5.102 -13.952 1.00 64.31 N ATOM 2120 CA THR A 135 2.938 -5.226 -14.796 1.00 23.45 C ATOM 2121 C THR A 135 3.868 -6.380 -14.311 1.00 54.22 C ATOM 2122 O THR A 135 4.726 -6.863 -15.053 1.00 43.21 O ATOM 2123 CB THR A 135 3.721 -3.857 -14.840 1.00 52.40 C ATOM 2124 OG1 THR A 135 4.666 -3.853 -15.917 1.00 4.22 O ATOM 2125 CG2 THR A 135 4.470 -3.556 -13.531 1.00 42.42 C ATOM 0 H THR A 135 1.693 -4.243 -13.403 1.00 64.31 H new ATOM 0 HA THR A 135 2.613 -5.476 -15.806 1.00 23.45 H new ATOM 0 HB THR A 135 2.968 -3.082 -14.987 1.00 52.40 H new ATOM 0 HG1 THR A 135 4.192 -3.738 -16.767 1.00 4.22 H new ATOM 0 HG21 THR A 135 4.990 -2.602 -13.620 1.00 42.42 H new ATOM 0 HG22 THR A 135 3.758 -3.505 -12.708 1.00 42.42 H new ATOM 0 HG23 THR A 135 5.194 -4.347 -13.336 1.00 42.42 H new ATOM 2133 N ILE A 136 3.679 -6.789 -13.044 1.00 21.31 N ATOM 2134 CA ILE A 136 4.451 -7.866 -12.386 1.00 3.12 C ATOM 2135 C ILE A 136 3.696 -9.216 -12.471 1.00 12.43 C ATOM 2136 O ILE A 136 4.298 -10.294 -12.403 1.00 23.21 O ATOM 2137 CB ILE A 136 4.755 -7.441 -10.899 1.00 43.03 C ATOM 2138 CG1 ILE A 136 5.655 -6.169 -10.906 1.00 22.42 C ATOM 2139 CG2 ILE A 136 5.399 -8.577 -10.070 1.00 10.34 C ATOM 2140 CD1 ILE A 136 5.883 -5.553 -9.545 1.00 34.40 C ATOM 0 H ILE A 136 2.973 -6.375 -12.435 1.00 21.31 H new ATOM 0 HA ILE A 136 5.400 -8.013 -12.902 1.00 3.12 H new ATOM 0 HB ILE A 136 3.806 -7.219 -10.411 1.00 43.03 H new ATOM 0 HG12 ILE A 136 6.621 -6.426 -11.341 1.00 22.42 H new ATOM 0 HG13 ILE A 136 5.201 -5.422 -11.557 1.00 22.42 H new ATOM 0 HG21 ILE A 136 5.585 -8.226 -9.055 1.00 10.34 H new ATOM 0 HG22 ILE A 136 4.725 -9.433 -10.040 1.00 10.34 H new ATOM 0 HG23 ILE A 136 6.341 -8.874 -10.530 1.00 10.34 H new ATOM 0 HD11 ILE A 136 6.520 -4.674 -9.646 1.00 34.40 H new ATOM 0 HD12 ILE A 136 4.926 -5.260 -9.113 1.00 34.40 H new ATOM 0 HD13 ILE A 136 6.368 -6.280 -8.893 1.00 34.40 H new ATOM 2152 N GLU A 137 2.369 -9.149 -12.650 1.00 43.44 N ATOM 2153 CA GLU A 137 1.543 -10.355 -12.881 1.00 41.11 C ATOM 2154 C GLU A 137 1.680 -10.818 -14.344 1.00 61.00 C ATOM 2155 O GLU A 137 1.855 -12.012 -14.628 1.00 11.44 O ATOM 2156 CB GLU A 137 0.071 -10.043 -12.566 1.00 24.42 C ATOM 2157 CG GLU A 137 -0.204 -9.660 -11.109 1.00 72.01 C ATOM 2158 CD GLU A 137 -1.678 -9.336 -10.848 1.00 5.32 C ATOM 2159 OE1 GLU A 137 -2.196 -8.387 -11.476 1.00 71.03 O ATOM 2160 OE2 GLU A 137 -2.327 -10.025 -10.039 1.00 33.12 O ATOM 0 H GLU A 137 1.840 -8.277 -12.640 1.00 43.44 H new ATOM 0 HA GLU A 137 1.889 -11.154 -12.225 1.00 41.11 H new ATOM 0 HB2 GLU A 137 -0.260 -9.228 -13.210 1.00 24.42 H new ATOM 0 HB3 GLU A 137 -0.533 -10.914 -12.819 1.00 24.42 H new ATOM 0 HG2 GLU A 137 0.104 -10.479 -10.459 1.00 72.01 H new ATOM 0 HG3 GLU A 137 0.406 -8.796 -10.844 1.00 72.01 H new ATOM 2167 N GLU A 138 1.603 -9.838 -15.252 1.00 35.43 N ATOM 2168 CA GLU A 138 1.684 -10.039 -16.701 1.00 33.33 C ATOM 2169 C GLU A 138 2.905 -9.236 -17.188 1.00 50.13 C ATOM 2170 O GLU A 138 2.936 -8.014 -17.040 1.00 74.41 O ATOM 2171 CB GLU A 138 0.353 -9.561 -17.385 1.00 64.32 C ATOM 2172 CG GLU A 138 0.063 -10.154 -18.790 1.00 34.32 C ATOM 2173 CD GLU A 138 1.091 -9.772 -19.871 1.00 51.01 C ATOM 2174 OE1 GLU A 138 1.039 -8.639 -20.379 1.00 3.11 O ATOM 2175 OE2 GLU A 138 1.960 -10.598 -20.214 1.00 40.11 O ATOM 0 H GLU A 138 1.480 -8.860 -14.992 1.00 35.43 H new ATOM 0 HA GLU A 138 1.804 -11.091 -16.960 1.00 33.33 H new ATOM 0 HB2 GLU A 138 -0.480 -9.810 -16.728 1.00 64.32 H new ATOM 0 HB3 GLU A 138 0.380 -8.475 -17.469 1.00 64.32 H new ATOM 0 HG2 GLU A 138 0.025 -11.240 -18.711 1.00 34.32 H new ATOM 0 HG3 GLU A 138 -0.924 -9.823 -19.113 1.00 34.32 H new ATOM 2182 N ILE A 139 3.923 -9.937 -17.714 1.00 44.25 N ATOM 2183 CA ILE A 139 5.167 -9.318 -18.192 1.00 45.42 C ATOM 2184 C ILE A 139 5.086 -9.149 -19.722 1.00 13.52 C ATOM 2185 O ILE A 139 5.151 -10.136 -20.466 1.00 42.55 O ATOM 2186 CB ILE A 139 6.452 -10.158 -17.780 1.00 1.13 C ATOM 2187 CG1 ILE A 139 6.702 -10.122 -16.229 1.00 62.34 C ATOM 2188 CG2 ILE A 139 7.714 -9.675 -18.545 1.00 53.12 C ATOM 2189 CD1 ILE A 139 5.697 -10.879 -15.367 1.00 65.01 C ATOM 0 H ILE A 139 3.905 -10.951 -17.819 1.00 44.25 H new ATOM 0 HA ILE A 139 5.272 -8.342 -17.718 1.00 45.42 H new ATOM 0 HB ILE A 139 6.256 -11.192 -18.062 1.00 1.13 H new ATOM 0 HG12 ILE A 139 7.695 -10.526 -16.033 1.00 62.34 H new ATOM 0 HG13 ILE A 139 6.713 -9.080 -15.908 1.00 62.34 H new ATOM 0 HG21 ILE A 139 8.575 -10.270 -18.240 1.00 53.12 H new ATOM 0 HG22 ILE A 139 7.555 -9.790 -19.617 1.00 53.12 H new ATOM 0 HG23 ILE A 139 7.899 -8.626 -18.316 1.00 53.12 H new ATOM 0 HD11 ILE A 139 5.973 -10.782 -14.317 1.00 65.01 H new ATOM 0 HD12 ILE A 139 4.701 -10.464 -15.520 1.00 65.01 H new ATOM 0 HD13 ILE A 139 5.698 -11.932 -15.647 1.00 65.01 H new ATOM 2201 N LYS A 140 4.864 -7.890 -20.156 1.00 51.25 N ATOM 2202 CA LYS A 140 4.912 -7.478 -21.574 1.00 60.35 C ATOM 2203 C LYS A 140 4.827 -5.940 -21.677 1.00 50.41 C ATOM 2204 O LYS A 140 5.678 -5.298 -22.310 1.00 31.34 O ATOM 2205 CB LYS A 140 3.773 -8.156 -22.392 1.00 73.14 C ATOM 2206 CG LYS A 140 3.756 -7.829 -23.908 1.00 73.15 C ATOM 2207 CD LYS A 140 2.888 -8.805 -24.759 1.00 54.33 C ATOM 2208 CE LYS A 140 1.387 -8.846 -24.381 1.00 64.52 C ATOM 2209 NZ LYS A 140 1.115 -9.618 -23.128 1.00 41.05 N ATOM 0 H LYS A 140 4.644 -7.122 -19.522 1.00 51.25 H new ATOM 0 HA LYS A 140 5.861 -7.805 -22.000 1.00 60.35 H new ATOM 0 HB2 LYS A 140 3.856 -9.236 -22.272 1.00 73.14 H new ATOM 0 HB3 LYS A 140 2.816 -7.860 -21.963 1.00 73.14 H new ATOM 0 HG2 LYS A 140 3.383 -6.814 -24.046 1.00 73.15 H new ATOM 0 HG3 LYS A 140 4.779 -7.847 -24.284 1.00 73.15 H new ATOM 0 HD2 LYS A 140 2.975 -8.524 -25.808 1.00 54.33 H new ATOM 0 HD3 LYS A 140 3.299 -9.810 -24.663 1.00 54.33 H new ATOM 0 HE2 LYS A 140 1.022 -7.826 -24.258 1.00 64.52 H new ATOM 0 HE3 LYS A 140 0.824 -9.289 -25.202 1.00 64.52 H new ATOM 0 HZ1 LYS A 140 0.247 -10.179 -23.247 1.00 41.05 H new ATOM 0 HZ2 LYS A 140 1.914 -10.254 -22.932 1.00 41.05 H new ATOM 0 HZ3 LYS A 140 0.994 -8.958 -22.333 1.00 41.05 H new ATOM 2223 N SER A 141 3.798 -5.360 -21.047 1.00 43.24 N ATOM 2224 CA SER A 141 3.566 -3.907 -21.030 1.00 62.30 C ATOM 2225 C SER A 141 4.192 -3.300 -19.752 1.00 50.01 C ATOM 2226 O SER A 141 5.245 -2.647 -19.850 1.00 5.53 O ATOM 2227 CB SER A 141 2.046 -3.624 -21.110 1.00 74.15 C ATOM 2228 OG SER A 141 1.475 -4.234 -22.258 1.00 1.41 O ATOM 2229 OXT SER A 141 3.657 -3.525 -18.658 1.00 37.95 O ATOM 0 H SER A 141 3.096 -5.889 -20.530 1.00 43.24 H new ATOM 0 HA SER A 141 4.041 -3.440 -21.893 1.00 62.30 H new ATOM 0 HB2 SER A 141 1.555 -3.999 -20.212 1.00 74.15 H new ATOM 0 HB3 SER A 141 1.874 -2.548 -21.142 1.00 74.15 H new ATOM 0 HG SER A 141 0.514 -4.043 -22.286 1.00 1.41 H new TER 2235 SER A 141