USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 894 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -59:sc= 0.0913 USER MOD Set 1.2: A 34 ASN : amide:sc= -0.624 X(o=-0.53,f=-0.3) USER MOD Set 2.1: A 16 THR OG1 : rot 115:sc= 1.53 USER MOD Set 2.2: A 18 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.13 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.567 K(o=-0.57,f=-1.6) USER MOD Single : A 4 HIS : no HE2:sc= -0.284 K(o=-0.28,f=-2.1!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.086) USER MOD Single : A 11 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.027) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= -0.0314 (180deg=-0.312) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -7.2! (180deg=-7.2!) USER MOD Single : A 37 SER OG : rot -72:sc= 0.54 USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.534) USER MOD Single : A 40 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.87) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.86 K(o=-1.9,f=-0.78) USER MOD Single : A 50 GLN : amide:sc= -8.64! C(o=-8.6!,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.446 K(o=-0.45,f=-4!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.024 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.014) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -149:sc= -0.521 (180deg=-2.05!) USER MOD Single : A 104 SER OG : rot 180:sc= -1.11 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 150:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -5.49! K(o=-5.5!,f=-0.63) USER MOD Single : A 111 SER OG : rot -31:sc= 0.077 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 121.803 10.470 9.954 1.00 0.00 N ATOM 2 CA MET A 1 122.107 11.869 9.537 1.00 0.00 C ATOM 3 C MET A 1 120.966 12.401 8.677 1.00 0.00 C ATOM 4 O MET A 1 119.919 11.761 8.550 1.00 0.00 O ATOM 5 CB MET A 1 123.418 11.887 8.741 1.00 0.00 C ATOM 6 CG MET A 1 124.233 13.129 9.115 1.00 0.00 C ATOM 7 SD MET A 1 125.250 13.633 7.705 1.00 0.00 S ATOM 8 CE MET A 1 125.994 15.095 8.469 1.00 0.00 C ATOM 0 H1 MET A 1 122.047 10.346 10.957 1.00 0.00 H new ATOM 0 H2 MET A 1 120.790 10.280 9.818 1.00 0.00 H new ATOM 0 H3 MET A 1 122.360 9.807 9.378 1.00 0.00 H new ATOM 0 HA MET A 1 122.214 12.502 10.418 1.00 0.00 H new ATOM 0 HB2 MET A 1 123.994 10.986 8.950 1.00 0.00 H new ATOM 0 HB3 MET A 1 123.205 11.888 7.672 1.00 0.00 H new ATOM 0 HG2 MET A 1 123.566 13.941 9.404 1.00 0.00 H new ATOM 0 HG3 MET A 1 124.867 12.915 9.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 126.671 15.571 7.760 1.00 0.00 H new ATOM 0 HE2 MET A 1 125.210 15.798 8.749 1.00 0.00 H new ATOM 0 HE3 MET A 1 126.550 14.798 9.358 1.00 0.00 H new ATOM 20 N HIS A 2 121.177 13.575 8.084 1.00 0.00 N ATOM 21 CA HIS A 2 120.163 14.189 7.232 1.00 0.00 C ATOM 22 C HIS A 2 119.857 13.294 6.035 1.00 0.00 C ATOM 23 O HIS A 2 118.710 13.198 5.597 1.00 0.00 O ATOM 24 CB HIS A 2 120.653 15.555 6.740 1.00 0.00 C ATOM 25 CG HIS A 2 119.563 16.221 5.946 1.00 0.00 C ATOM 26 ND1 HIS A 2 118.498 16.868 6.551 1.00 0.00 N ATOM 27 CD2 HIS A 2 119.358 16.344 4.593 1.00 0.00 C ATOM 28 CE1 HIS A 2 117.706 17.346 5.574 1.00 0.00 C ATOM 29 NE2 HIS A 2 118.185 17.054 4.361 1.00 0.00 N ATOM 0 H HIS A 2 122.036 14.117 8.178 1.00 0.00 H new ATOM 0 HA HIS A 2 119.252 14.319 7.816 1.00 0.00 H new ATOM 0 HB2 HIS A 2 120.934 16.180 7.588 1.00 0.00 H new ATOM 0 HB3 HIS A 2 121.544 15.434 6.124 1.00 0.00 H new ATOM 0 HD2 HIS A 2 120.009 15.949 3.827 1.00 0.00 H new ATOM 0 HE1 HIS A 2 116.794 17.898 5.749 1.00 0.00 H new ATOM 0 HE2 HIS A 2 117.778 17.299 3.459 1.00 0.00 H new ATOM 37 N HIS A 3 120.892 12.641 5.513 1.00 0.00 N ATOM 38 CA HIS A 3 120.730 11.754 4.366 1.00 0.00 C ATOM 39 C HIS A 3 119.938 10.512 4.763 1.00 0.00 C ATOM 40 O HIS A 3 120.502 9.525 5.238 1.00 0.00 O ATOM 41 CB HIS A 3 122.102 11.347 3.820 1.00 0.00 C ATOM 42 CG HIS A 3 122.748 12.529 3.147 1.00 0.00 C ATOM 43 ND1 HIS A 3 122.718 13.802 3.698 1.00 0.00 N ATOM 44 CD2 HIS A 3 123.445 12.648 1.971 1.00 0.00 C ATOM 45 CE1 HIS A 3 123.375 14.622 2.859 1.00 0.00 C ATOM 46 NE2 HIS A 3 123.840 13.970 1.789 1.00 0.00 N ATOM 0 H HIS A 3 121.847 12.709 5.864 1.00 0.00 H new ATOM 0 HA HIS A 3 120.181 12.286 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 3 122.735 10.986 4.631 1.00 0.00 H new ATOM 0 HB3 HIS A 3 121.994 10.526 3.111 1.00 0.00 H new ATOM 0 HD2 HIS A 3 123.655 11.837 1.289 1.00 0.00 H new ATOM 0 HE1 HIS A 3 123.511 15.680 3.029 1.00 0.00 H new ATOM 0 HE2 HIS A 3 124.370 14.357 1.008 1.00 0.00 H new ATOM 54 N HIS A 4 118.623 10.575 4.569 1.00 0.00 N ATOM 55 CA HIS A 4 117.745 9.460 4.911 1.00 0.00 C ATOM 56 C HIS A 4 117.749 8.408 3.804 1.00 0.00 C ATOM 57 O HIS A 4 116.980 8.497 2.846 1.00 0.00 O ATOM 58 CB HIS A 4 116.314 9.965 5.142 1.00 0.00 C ATOM 59 CG HIS A 4 116.012 11.101 4.200 1.00 0.00 C ATOM 60 ND1 HIS A 4 116.192 12.426 4.562 1.00 0.00 N ATOM 61 CD2 HIS A 4 115.546 11.125 2.908 1.00 0.00 C ATOM 62 CE1 HIS A 4 115.840 13.185 3.509 1.00 0.00 C ATOM 63 NE2 HIS A 4 115.439 12.442 2.474 1.00 0.00 N ATOM 0 H HIS A 4 118.143 11.385 4.177 1.00 0.00 H new ATOM 0 HA HIS A 4 118.117 9.002 5.828 1.00 0.00 H new ATOM 0 HB2 HIS A 4 115.603 9.153 4.986 1.00 0.00 H new ATOM 0 HB3 HIS A 4 116.198 10.296 6.174 1.00 0.00 H new ATOM 0 HD1 HIS A 4 116.530 12.764 5.463 1.00 0.00 H new ATOM 0 HD2 HIS A 4 115.300 10.254 2.319 1.00 0.00 H new ATOM 0 HE1 HIS A 4 115.877 14.264 3.501 1.00 0.00 H new ATOM 71 N HIS A 5 118.617 7.410 3.947 1.00 0.00 N ATOM 72 CA HIS A 5 118.711 6.339 2.958 1.00 0.00 C ATOM 73 C HIS A 5 117.959 5.103 3.444 1.00 0.00 C ATOM 74 O HIS A 5 118.216 4.601 4.538 1.00 0.00 O ATOM 75 CB HIS A 5 120.181 5.986 2.708 1.00 0.00 C ATOM 76 CG HIS A 5 120.277 5.015 1.563 1.00 0.00 C ATOM 77 ND1 HIS A 5 120.627 3.686 1.749 1.00 0.00 N ATOM 78 CD2 HIS A 5 120.071 5.162 0.214 1.00 0.00 C ATOM 79 CE1 HIS A 5 120.620 3.092 0.542 1.00 0.00 C ATOM 80 NE2 HIS A 5 120.289 3.948 -0.429 1.00 0.00 N ATOM 0 H HIS A 5 119.262 7.320 4.732 1.00 0.00 H new ATOM 0 HA HIS A 5 118.261 6.683 2.027 1.00 0.00 H new ATOM 0 HB2 HIS A 5 120.749 6.888 2.482 1.00 0.00 H new ATOM 0 HB3 HIS A 5 120.619 5.550 3.606 1.00 0.00 H new ATOM 0 HD2 HIS A 5 119.783 6.081 -0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 5 120.853 2.050 0.378 1.00 0.00 H new ATOM 0 HE2 HIS A 5 120.213 3.753 -1.427 1.00 0.00 H new ATOM 88 N HIS A 6 117.027 4.621 2.625 1.00 0.00 N ATOM 89 CA HIS A 6 116.239 3.444 2.983 1.00 0.00 C ATOM 90 C HIS A 6 115.731 2.730 1.733 1.00 0.00 C ATOM 91 O HIS A 6 115.882 3.228 0.615 1.00 0.00 O ATOM 92 CB HIS A 6 115.051 3.857 3.857 1.00 0.00 C ATOM 93 CG HIS A 6 115.101 3.112 5.163 1.00 0.00 C ATOM 94 ND1 HIS A 6 115.605 3.683 6.320 1.00 0.00 N ATOM 95 CD2 HIS A 6 114.715 1.841 5.511 1.00 0.00 C ATOM 96 CE1 HIS A 6 115.509 2.767 7.301 1.00 0.00 C ATOM 97 NE2 HIS A 6 114.973 1.626 6.861 1.00 0.00 N ATOM 0 H HIS A 6 116.800 5.024 1.716 1.00 0.00 H new ATOM 0 HA HIS A 6 116.880 2.760 3.539 1.00 0.00 H new ATOM 0 HB2 HIS A 6 115.077 4.931 4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 6 114.115 3.643 3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 6 114.277 1.118 4.839 1.00 0.00 H new ATOM 0 HE1 HIS A 6 115.827 2.934 8.320 1.00 0.00 H new ATOM 0 HE2 HIS A 6 114.792 0.779 7.399 1.00 0.00 H new ATOM 105 N HIS A 7 115.131 1.559 1.935 1.00 0.00 N ATOM 106 CA HIS A 7 114.601 0.774 0.824 1.00 0.00 C ATOM 107 C HIS A 7 113.624 -0.286 1.332 1.00 0.00 C ATOM 108 O HIS A 7 113.255 -1.205 0.599 1.00 0.00 O ATOM 109 CB HIS A 7 115.753 0.098 0.070 1.00 0.00 C ATOM 110 CG HIS A 7 116.434 -0.897 0.971 1.00 0.00 C ATOM 111 ND1 HIS A 7 116.597 -2.225 0.613 1.00 0.00 N ATOM 112 CD2 HIS A 7 116.995 -0.773 2.219 1.00 0.00 C ATOM 113 CE1 HIS A 7 117.231 -2.843 1.626 1.00 0.00 C ATOM 114 NE2 HIS A 7 117.497 -2.004 2.631 1.00 0.00 N ATOM 0 H HIS A 7 115.000 1.135 2.853 1.00 0.00 H new ATOM 0 HA HIS A 7 114.068 1.443 0.149 1.00 0.00 H new ATOM 0 HB2 HIS A 7 115.373 -0.403 -0.820 1.00 0.00 H new ATOM 0 HB3 HIS A 7 116.469 0.847 -0.267 1.00 0.00 H new ATOM 0 HD2 HIS A 7 117.040 0.141 2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 7 117.493 -3.891 1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 7 117.967 -2.219 3.511 1.00 0.00 H new ATOM 122 N GLY A 8 113.212 -0.150 2.592 1.00 0.00 N ATOM 123 CA GLY A 8 112.279 -1.098 3.195 1.00 0.00 C ATOM 124 C GLY A 8 110.912 -0.457 3.412 1.00 0.00 C ATOM 125 O GLY A 8 110.715 0.295 4.368 1.00 0.00 O ATOM 0 H GLY A 8 113.509 0.604 3.212 1.00 0.00 H new ATOM 0 HA2 GLY A 8 112.177 -1.972 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.676 -1.448 4.148 1.00 0.00 H new ATOM 129 N GLU A 9 109.971 -0.762 2.520 1.00 0.00 N ATOM 130 CA GLU A 9 108.623 -0.217 2.619 1.00 0.00 C ATOM 131 C GLU A 9 107.676 -0.986 1.702 1.00 0.00 C ATOM 132 O GLU A 9 108.092 -1.511 0.668 1.00 0.00 O ATOM 133 CB GLU A 9 108.620 1.273 2.244 1.00 0.00 C ATOM 134 CG GLU A 9 109.062 1.458 0.786 1.00 0.00 C ATOM 135 CD GLU A 9 110.550 1.145 0.636 1.00 0.00 C ATOM 136 OE1 GLU A 9 111.349 1.846 1.237 1.00 0.00 O ATOM 137 OE2 GLU A 9 110.869 0.208 -0.078 1.00 0.00 O ATOM 0 H GLU A 9 110.119 -1.382 1.724 1.00 0.00 H new ATOM 0 HA GLU A 9 108.282 -0.321 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 9 107.622 1.688 2.384 1.00 0.00 H new ATOM 0 HB3 GLU A 9 109.289 1.823 2.906 1.00 0.00 H new ATOM 0 HG2 GLU A 9 108.479 0.804 0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 9 108.865 2.482 0.467 1.00 0.00 H new ATOM 144 N PHE A 10 106.406 -1.054 2.093 1.00 0.00 N ATOM 145 CA PHE A 10 105.407 -1.768 1.304 1.00 0.00 C ATOM 146 C PHE A 10 104.215 -0.865 1.023 1.00 0.00 C ATOM 147 O PHE A 10 103.590 -0.339 1.943 1.00 0.00 O ATOM 148 CB PHE A 10 104.934 -3.030 2.044 1.00 0.00 C ATOM 149 CG PHE A 10 105.710 -3.201 3.329 1.00 0.00 C ATOM 150 CD1 PHE A 10 105.286 -2.552 4.493 1.00 0.00 C ATOM 151 CD2 PHE A 10 106.856 -4.007 3.354 1.00 0.00 C ATOM 152 CE1 PHE A 10 106.005 -2.707 5.684 1.00 0.00 C ATOM 153 CE2 PHE A 10 107.575 -4.163 4.544 1.00 0.00 C ATOM 154 CZ PHE A 10 107.150 -3.513 5.709 1.00 0.00 C ATOM 0 H PHE A 10 106.046 -0.626 2.946 1.00 0.00 H new ATOM 0 HA PHE A 10 105.865 -2.063 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 10 103.868 -2.956 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 10 105.070 -3.905 1.409 1.00 0.00 H new ATOM 0 HD1 PHE A 10 104.403 -1.931 4.473 1.00 0.00 H new ATOM 0 HD2 PHE A 10 107.184 -4.508 2.455 1.00 0.00 H new ATOM 0 HE1 PHE A 10 105.677 -2.206 6.583 1.00 0.00 H new ATOM 0 HE2 PHE A 10 108.458 -4.785 4.564 1.00 0.00 H new ATOM 0 HZ PHE A 10 107.705 -3.633 6.627 1.00 0.00 H new ATOM 164 N GLN A 11 103.909 -0.693 -0.257 1.00 0.00 N ATOM 165 CA GLN A 11 102.788 0.150 -0.659 1.00 0.00 C ATOM 166 C GLN A 11 101.740 -0.663 -1.413 1.00 0.00 C ATOM 167 O GLN A 11 102.025 -1.243 -2.462 1.00 0.00 O ATOM 168 CB GLN A 11 103.289 1.305 -1.534 1.00 0.00 C ATOM 169 CG GLN A 11 104.014 0.758 -2.769 1.00 0.00 C ATOM 170 CD GLN A 11 105.076 1.751 -3.232 1.00 0.00 C ATOM 171 OE1 GLN A 11 106.077 1.958 -2.546 1.00 0.00 O ATOM 172 NE2 GLN A 11 104.917 2.383 -4.363 1.00 0.00 N ATOM 0 H GLN A 11 104.417 -1.122 -1.030 1.00 0.00 H new ATOM 0 HA GLN A 11 102.323 0.557 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 11 102.449 1.928 -1.842 1.00 0.00 H new ATOM 0 HB3 GLN A 11 103.963 1.940 -0.959 1.00 0.00 H new ATOM 0 HG2 GLN A 11 104.478 -0.200 -2.534 1.00 0.00 H new ATOM 0 HG3 GLN A 11 103.298 0.578 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 11 104.087 2.211 -4.931 1.00 0.00 H new ATOM 0 HE22 GLN A 11 105.622 3.049 -4.679 1.00 0.00 H new ATOM 181 N ILE A 12 100.526 -0.706 -0.867 1.00 0.00 N ATOM 182 CA ILE A 12 99.443 -1.457 -1.497 1.00 0.00 C ATOM 183 C ILE A 12 98.800 -0.634 -2.606 1.00 0.00 C ATOM 184 O ILE A 12 99.262 0.465 -2.921 1.00 0.00 O ATOM 185 CB ILE A 12 98.380 -1.849 -0.460 1.00 0.00 C ATOM 186 CG1 ILE A 12 97.674 -0.589 0.060 1.00 0.00 C ATOM 187 CG2 ILE A 12 99.045 -2.590 0.706 1.00 0.00 C ATOM 188 CD1 ILE A 12 96.474 -0.987 0.925 1.00 0.00 C ATOM 0 H ILE A 12 100.270 -0.235 0.001 1.00 0.00 H new ATOM 0 HA ILE A 12 99.866 -2.365 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 12 97.645 -2.503 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 12 98.370 0.015 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 12 97.343 0.025 -0.777 1.00 0.00 H new ATOM 0 HG21 ILE A 12 98.288 -2.867 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 12 99.535 -3.489 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 12 99.785 -1.941 1.175 1.00 0.00 H new ATOM 0 HD11 ILE A 12 95.976 -0.089 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 12 95.774 -1.572 0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 12 96.817 -1.583 1.771 1.00 0.00 H new ATOM 200 N PHE A 13 97.728 -1.166 -3.187 1.00 0.00 N ATOM 201 CA PHE A 13 97.024 -0.465 -4.253 1.00 0.00 C ATOM 202 C PHE A 13 95.549 -0.315 -3.911 1.00 0.00 C ATOM 203 O PHE A 13 94.905 -1.266 -3.474 1.00 0.00 O ATOM 204 CB PHE A 13 97.167 -1.222 -5.578 1.00 0.00 C ATOM 205 CG PHE A 13 98.606 -1.638 -5.785 1.00 0.00 C ATOM 206 CD1 PHE A 13 99.635 -0.693 -5.668 1.00 0.00 C ATOM 207 CD2 PHE A 13 98.912 -2.968 -6.098 1.00 0.00 C ATOM 208 CE1 PHE A 13 100.965 -1.081 -5.861 1.00 0.00 C ATOM 209 CE2 PHE A 13 100.242 -3.354 -6.293 1.00 0.00 C ATOM 210 CZ PHE A 13 101.269 -2.410 -6.174 1.00 0.00 C ATOM 0 H PHE A 13 97.332 -2.073 -2.939 1.00 0.00 H new ATOM 0 HA PHE A 13 97.468 0.525 -4.357 1.00 0.00 H new ATOM 0 HB2 PHE A 13 96.523 -2.101 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 13 96.840 -0.590 -6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 13 99.401 0.334 -5.429 1.00 0.00 H new ATOM 0 HD2 PHE A 13 98.120 -3.697 -6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 13 101.758 -0.354 -5.768 1.00 0.00 H new ATOM 0 HE2 PHE A 13 100.477 -4.380 -6.535 1.00 0.00 H new ATOM 0 HZ PHE A 13 102.296 -2.708 -6.324 1.00 0.00 H new ATOM 220 N ALA A 14 95.026 0.885 -4.131 1.00 0.00 N ATOM 221 CA ALA A 14 93.623 1.171 -3.866 1.00 0.00 C ATOM 222 C ALA A 14 92.940 1.566 -5.167 1.00 0.00 C ATOM 223 O ALA A 14 93.433 2.429 -5.892 1.00 0.00 O ATOM 224 CB ALA A 14 93.501 2.307 -2.845 1.00 0.00 C ATOM 0 H ALA A 14 95.555 1.678 -4.494 1.00 0.00 H new ATOM 0 HA ALA A 14 93.143 0.282 -3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 14 92.448 2.513 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 14 93.988 2.014 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 14 93.980 3.203 -3.239 1.00 0.00 H new ATOM 230 N LYS A 15 91.810 0.934 -5.465 1.00 0.00 N ATOM 231 CA LYS A 15 91.089 1.240 -6.694 1.00 0.00 C ATOM 232 C LYS A 15 89.665 1.684 -6.401 1.00 0.00 C ATOM 233 O LYS A 15 88.869 0.934 -5.831 1.00 0.00 O ATOM 234 CB LYS A 15 91.062 0.024 -7.621 1.00 0.00 C ATOM 235 CG LYS A 15 90.584 0.462 -9.011 1.00 0.00 C ATOM 236 CD LYS A 15 91.667 0.158 -10.052 1.00 0.00 C ATOM 237 CE LYS A 15 91.520 -1.283 -10.548 1.00 0.00 C ATOM 238 NZ LYS A 15 92.678 -1.625 -11.423 1.00 0.00 N ATOM 0 H LYS A 15 91.379 0.217 -4.882 1.00 0.00 H new ATOM 0 HA LYS A 15 91.616 2.057 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 15 92.055 -0.420 -7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 15 90.398 -0.741 -7.219 1.00 0.00 H new ATOM 0 HG2 LYS A 15 89.662 -0.059 -9.269 1.00 0.00 H new ATOM 0 HG3 LYS A 15 90.358 1.528 -9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 15 91.584 0.851 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 15 92.655 0.303 -9.615 1.00 0.00 H new ATOM 0 HE2 LYS A 15 91.475 -1.968 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 15 90.587 -1.396 -11.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 92.580 -2.604 -11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 92.701 -0.978 -12.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 93.561 -1.532 -10.882 1.00 0.00 H new ATOM 252 N THR A 16 89.349 2.908 -6.807 1.00 0.00 N ATOM 253 CA THR A 16 88.017 3.454 -6.602 1.00 0.00 C ATOM 254 C THR A 16 87.029 2.808 -7.567 1.00 0.00 C ATOM 255 O THR A 16 87.424 2.273 -8.603 1.00 0.00 O ATOM 256 CB THR A 16 88.033 4.967 -6.824 1.00 0.00 C ATOM 257 OG1 THR A 16 88.486 5.244 -8.140 1.00 0.00 O ATOM 258 CG2 THR A 16 88.967 5.631 -5.810 1.00 0.00 C ATOM 0 H THR A 16 89.997 3.539 -7.279 1.00 0.00 H new ATOM 0 HA THR A 16 87.707 3.242 -5.579 1.00 0.00 H new ATOM 0 HB THR A 16 87.026 5.362 -6.693 1.00 0.00 H new ATOM 0 HG1 THR A 16 87.760 5.653 -8.657 1.00 0.00 H new ATOM 0 HG21 THR A 16 88.974 6.709 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 16 88.617 5.419 -4.800 1.00 0.00 H new ATOM 0 HG23 THR A 16 89.976 5.239 -5.934 1.00 0.00 H new ATOM 266 N LEU A 17 85.746 2.865 -7.222 1.00 0.00 N ATOM 267 CA LEU A 17 84.713 2.284 -8.073 1.00 0.00 C ATOM 268 C LEU A 17 84.685 2.983 -9.430 1.00 0.00 C ATOM 269 O LEU A 17 84.138 2.457 -10.400 1.00 0.00 O ATOM 270 CB LEU A 17 83.344 2.410 -7.392 1.00 0.00 C ATOM 271 CG LEU A 17 82.347 1.434 -8.032 1.00 0.00 C ATOM 272 CD1 LEU A 17 82.865 -0.003 -7.909 1.00 0.00 C ATOM 273 CD2 LEU A 17 80.998 1.547 -7.318 1.00 0.00 C ATOM 0 H LEU A 17 85.399 3.303 -6.368 1.00 0.00 H new ATOM 0 HA LEU A 17 84.941 1.229 -8.228 1.00 0.00 H new ATOM 0 HB2 LEU A 17 83.438 2.200 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 17 82.975 3.432 -7.484 1.00 0.00 H new ATOM 0 HG LEU A 17 82.231 1.684 -9.087 1.00 0.00 H new ATOM 0 HD11 LEU A 17 82.151 -0.688 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 17 83.825 -0.088 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 17 82.988 -0.257 -6.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 80.288 0.855 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 81.123 1.301 -6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 17 80.621 2.566 -7.411 1.00 0.00 H new ATOM 285 N THR A 18 85.287 4.170 -9.490 1.00 0.00 N ATOM 286 CA THR A 18 85.338 4.938 -10.731 1.00 0.00 C ATOM 287 C THR A 18 86.436 4.400 -11.649 1.00 0.00 C ATOM 288 O THR A 18 86.429 4.654 -12.854 1.00 0.00 O ATOM 289 CB THR A 18 85.600 6.415 -10.423 1.00 0.00 C ATOM 290 OG1 THR A 18 86.892 6.556 -9.849 1.00 0.00 O ATOM 291 CG2 THR A 18 84.544 6.936 -9.444 1.00 0.00 C ATOM 0 H THR A 18 85.744 4.619 -8.696 1.00 0.00 H new ATOM 0 HA THR A 18 84.378 4.841 -11.237 1.00 0.00 H new ATOM 0 HB THR A 18 85.547 6.991 -11.347 1.00 0.00 H new ATOM 0 HG1 THR A 18 87.061 7.501 -9.653 1.00 0.00 H new ATOM 0 HG21 THR A 18 84.735 7.987 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 18 83.554 6.831 -9.887 1.00 0.00 H new ATOM 0 HG23 THR A 18 84.591 6.361 -8.519 1.00 0.00 H new ATOM 299 N GLY A 19 87.374 3.652 -11.066 1.00 0.00 N ATOM 300 CA GLY A 19 88.475 3.073 -11.834 1.00 0.00 C ATOM 301 C GLY A 19 89.764 3.874 -11.655 1.00 0.00 C ATOM 302 O GLY A 19 90.574 3.971 -12.578 1.00 0.00 O ATOM 0 H GLY A 19 87.393 3.434 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 19 88.639 2.043 -11.518 1.00 0.00 H new ATOM 0 HA3 GLY A 19 88.207 3.043 -12.890 1.00 0.00 H new ATOM 306 N LYS A 20 89.950 4.437 -10.463 1.00 0.00 N ATOM 307 CA LYS A 20 91.149 5.219 -10.169 1.00 0.00 C ATOM 308 C LYS A 20 92.094 4.424 -9.271 1.00 0.00 C ATOM 309 O LYS A 20 91.729 4.043 -8.160 1.00 0.00 O ATOM 310 CB LYS A 20 90.762 6.533 -9.478 1.00 0.00 C ATOM 311 CG LYS A 20 91.703 7.656 -9.931 1.00 0.00 C ATOM 312 CD LYS A 20 93.006 7.603 -9.123 1.00 0.00 C ATOM 313 CE LYS A 20 93.017 8.723 -8.079 1.00 0.00 C ATOM 314 NZ LYS A 20 93.158 10.040 -8.761 1.00 0.00 N ATOM 0 H LYS A 20 89.290 4.367 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 20 91.657 5.442 -11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 20 89.731 6.791 -9.719 1.00 0.00 H new ATOM 0 HB3 LYS A 20 90.817 6.415 -8.396 1.00 0.00 H new ATOM 0 HG2 LYS A 20 91.920 7.554 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 20 91.220 8.624 -9.796 1.00 0.00 H new ATOM 0 HD2 LYS A 20 93.100 6.635 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 20 93.862 7.707 -9.790 1.00 0.00 H new ATOM 0 HE2 LYS A 20 92.096 8.700 -7.497 1.00 0.00 H new ATOM 0 HE3 LYS A 20 93.840 8.574 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 93.611 10.718 -8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 93.743 9.929 -9.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 92.218 10.394 -9.031 1.00 0.00 H new ATOM 328 N THR A 21 93.311 4.182 -9.760 1.00 0.00 N ATOM 329 CA THR A 21 94.303 3.431 -8.991 1.00 0.00 C ATOM 330 C THR A 21 95.107 4.370 -8.093 1.00 0.00 C ATOM 331 O THR A 21 95.579 5.417 -8.540 1.00 0.00 O ATOM 332 CB THR A 21 95.250 2.687 -9.941 1.00 0.00 C ATOM 333 OG1 THR A 21 94.496 2.092 -10.987 1.00 0.00 O ATOM 334 CG2 THR A 21 96.002 1.598 -9.170 1.00 0.00 C ATOM 0 H THR A 21 93.631 4.492 -10.677 1.00 0.00 H new ATOM 0 HA THR A 21 93.780 2.708 -8.365 1.00 0.00 H new ATOM 0 HB THR A 21 95.968 3.391 -10.362 1.00 0.00 H new ATOM 0 HG1 THR A 21 95.099 1.617 -11.596 1.00 0.00 H new ATOM 0 HG21 THR A 21 96.674 1.071 -9.847 1.00 0.00 H new ATOM 0 HG22 THR A 21 96.581 2.054 -8.367 1.00 0.00 H new ATOM 0 HG23 THR A 21 95.287 0.893 -8.746 1.00 0.00 H new ATOM 342 N ILE A 22 95.251 3.989 -6.825 1.00 0.00 N ATOM 343 CA ILE A 22 95.990 4.800 -5.860 1.00 0.00 C ATOM 344 C ILE A 22 96.970 3.934 -5.071 1.00 0.00 C ATOM 345 O ILE A 22 96.578 2.946 -4.452 1.00 0.00 O ATOM 346 CB ILE A 22 95.008 5.477 -4.895 1.00 0.00 C ATOM 347 CG1 ILE A 22 94.209 6.548 -5.648 1.00 0.00 C ATOM 348 CG2 ILE A 22 95.778 6.131 -3.742 1.00 0.00 C ATOM 349 CD1 ILE A 22 92.828 6.711 -5.006 1.00 0.00 C ATOM 0 H ILE A 22 94.866 3.125 -6.443 1.00 0.00 H new ATOM 0 HA ILE A 22 96.553 5.560 -6.402 1.00 0.00 H new ATOM 0 HB ILE A 22 94.327 4.728 -4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 22 94.745 7.497 -5.626 1.00 0.00 H new ATOM 0 HG13 ILE A 22 94.102 6.266 -6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 22 95.075 6.610 -3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 22 96.344 5.370 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 22 96.464 6.879 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 22 92.264 7.473 -5.544 1.00 0.00 H new ATOM 0 HD12 ILE A 22 92.292 5.763 -5.051 1.00 0.00 H new ATOM 0 HD13 ILE A 22 92.944 7.013 -3.965 1.00 0.00 H new ATOM 361 N THR A 23 98.244 4.320 -5.095 1.00 0.00 N ATOM 362 CA THR A 23 99.277 3.578 -4.376 1.00 0.00 C ATOM 363 C THR A 23 99.682 4.327 -3.108 1.00 0.00 C ATOM 364 O THR A 23 100.086 5.488 -3.168 1.00 0.00 O ATOM 365 CB THR A 23 100.501 3.386 -5.279 1.00 0.00 C ATOM 366 OG1 THR A 23 100.108 2.705 -6.463 1.00 0.00 O ATOM 367 CG2 THR A 23 101.565 2.567 -4.546 1.00 0.00 C ATOM 0 H THR A 23 98.584 5.137 -5.601 1.00 0.00 H new ATOM 0 HA THR A 23 98.879 2.603 -4.096 1.00 0.00 H new ATOM 0 HB THR A 23 100.917 4.360 -5.537 1.00 0.00 H new ATOM 0 HG1 THR A 23 100.888 2.582 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 23 102.432 2.434 -5.193 1.00 0.00 H new ATOM 0 HG22 THR A 23 101.866 3.091 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 23 101.156 1.592 -4.283 1.00 0.00 H new ATOM 375 N LEU A 24 99.568 3.654 -1.962 1.00 0.00 N ATOM 376 CA LEU A 24 99.925 4.269 -0.683 1.00 0.00 C ATOM 377 C LEU A 24 100.806 3.335 0.144 1.00 0.00 C ATOM 378 O LEU A 24 100.582 2.121 0.183 1.00 0.00 O ATOM 379 CB LEU A 24 98.667 4.640 0.125 1.00 0.00 C ATOM 380 CG LEU A 24 97.398 4.108 -0.557 1.00 0.00 C ATOM 381 CD1 LEU A 24 97.231 2.618 -0.250 1.00 0.00 C ATOM 382 CD2 LEU A 24 96.179 4.873 -0.031 1.00 0.00 C ATOM 0 H LEU A 24 99.235 2.692 -1.893 1.00 0.00 H new ATOM 0 HA LEU A 24 100.482 5.180 -0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 24 98.743 4.229 1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 98.602 5.723 0.227 1.00 0.00 H new ATOM 0 HG LEU A 24 97.483 4.248 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 24 96.329 2.245 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 24 98.097 2.071 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 24 97.148 2.476 0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 24 95.277 4.497 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 24 96.099 4.733 1.047 1.00 0.00 H new ATOM 0 HD23 LEU A 24 96.293 5.934 -0.251 1.00 0.00 H new ATOM 394 N GLU A 25 101.806 3.918 0.806 1.00 0.00 N ATOM 395 CA GLU A 25 102.726 3.149 1.639 1.00 0.00 C ATOM 396 C GLU A 25 102.065 2.779 2.963 1.00 0.00 C ATOM 397 O GLU A 25 101.852 3.635 3.824 1.00 0.00 O ATOM 398 CB GLU A 25 103.999 3.962 1.909 1.00 0.00 C ATOM 399 CG GLU A 25 105.150 3.018 2.281 1.00 0.00 C ATOM 400 CD GLU A 25 104.897 2.375 3.646 1.00 0.00 C ATOM 401 OE1 GLU A 25 104.664 3.109 4.594 1.00 0.00 O ATOM 402 OE2 GLU A 25 104.943 1.158 3.724 1.00 0.00 O ATOM 0 H GLU A 25 101.998 4.919 0.780 1.00 0.00 H new ATOM 0 HA GLU A 25 102.989 2.235 1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 25 104.264 4.543 1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 25 103.823 4.672 2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 25 105.253 2.243 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 25 106.089 3.571 2.301 1.00 0.00 H new ATOM 409 N VAL A 26 101.740 1.499 3.112 1.00 0.00 N ATOM 410 CA VAL A 26 101.097 1.017 4.329 1.00 0.00 C ATOM 411 C VAL A 26 101.775 -0.252 4.831 1.00 0.00 C ATOM 412 O VAL A 26 102.176 -1.111 4.045 1.00 0.00 O ATOM 413 CB VAL A 26 99.612 0.743 4.070 1.00 0.00 C ATOM 414 CG1 VAL A 26 98.913 2.036 3.640 1.00 0.00 C ATOM 415 CG2 VAL A 26 99.467 -0.305 2.962 1.00 0.00 C ATOM 0 H VAL A 26 101.910 0.780 2.409 1.00 0.00 H new ATOM 0 HA VAL A 26 101.192 1.789 5.093 1.00 0.00 H new ATOM 0 HB VAL A 26 99.153 0.371 4.986 1.00 0.00 H new ATOM 0 HG11 VAL A 26 97.857 1.835 3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 26 99.009 2.782 4.429 1.00 0.00 H new ATOM 0 HG13 VAL A 26 99.374 2.413 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 26 98.410 -0.498 2.780 1.00 0.00 H new ATOM 0 HG22 VAL A 26 99.931 0.065 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 26 99.957 -1.229 3.269 1.00 0.00 H new ATOM 425 N GLU A 27 101.894 -0.359 6.149 1.00 0.00 N ATOM 426 CA GLU A 27 102.519 -1.525 6.765 1.00 0.00 C ATOM 427 C GLU A 27 101.644 -2.756 6.561 1.00 0.00 C ATOM 428 O GLU A 27 100.460 -2.637 6.257 1.00 0.00 O ATOM 429 CB GLU A 27 102.734 -1.270 8.258 1.00 0.00 C ATOM 430 CG GLU A 27 103.378 0.107 8.451 1.00 0.00 C ATOM 431 CD GLU A 27 104.736 0.156 7.755 1.00 0.00 C ATOM 432 OE1 GLU A 27 105.710 -0.250 8.368 1.00 0.00 O ATOM 433 OE2 GLU A 27 104.782 0.597 6.617 1.00 0.00 O ATOM 0 H GLU A 27 101.567 0.345 6.811 1.00 0.00 H new ATOM 0 HA GLU A 27 103.486 -1.702 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 27 101.782 -1.316 8.787 1.00 0.00 H new ATOM 0 HB3 GLU A 27 103.372 -2.045 8.682 1.00 0.00 H new ATOM 0 HG2 GLU A 27 102.726 0.881 8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 27 103.498 0.314 9.514 1.00 0.00 H new ATOM 440 N SER A 28 102.229 -3.937 6.720 1.00 0.00 N ATOM 441 CA SER A 28 101.484 -5.180 6.534 1.00 0.00 C ATOM 442 C SER A 28 100.337 -5.292 7.533 1.00 0.00 C ATOM 443 O SER A 28 99.389 -6.038 7.308 1.00 0.00 O ATOM 444 CB SER A 28 102.420 -6.377 6.699 1.00 0.00 C ATOM 445 OG SER A 28 101.847 -7.511 6.063 1.00 0.00 O ATOM 0 H SER A 28 103.209 -4.062 6.975 1.00 0.00 H new ATOM 0 HA SER A 28 101.065 -5.173 5.528 1.00 0.00 H new ATOM 0 HB2 SER A 28 103.394 -6.155 6.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 102.583 -6.583 7.757 1.00 0.00 H new ATOM 0 HG SER A 28 102.445 -8.281 6.165 1.00 0.00 H new ATOM 451 N SER A 29 100.453 -4.582 8.651 1.00 0.00 N ATOM 452 CA SER A 29 99.441 -4.634 9.703 1.00 0.00 C ATOM 453 C SER A 29 98.750 -3.287 9.895 1.00 0.00 C ATOM 454 O SER A 29 97.926 -3.136 10.799 1.00 0.00 O ATOM 455 CB SER A 29 100.096 -5.057 11.019 1.00 0.00 C ATOM 456 OG SER A 29 101.056 -4.081 11.403 1.00 0.00 O ATOM 0 H SER A 29 101.238 -3.963 8.853 1.00 0.00 H new ATOM 0 HA SER A 29 98.685 -5.360 9.402 1.00 0.00 H new ATOM 0 HB2 SER A 29 99.340 -5.165 11.796 1.00 0.00 H new ATOM 0 HB3 SER A 29 100.575 -6.029 10.904 1.00 0.00 H new ATOM 0 HG SER A 29 101.476 -4.349 12.247 1.00 0.00 H new ATOM 462 N ASP A 30 99.084 -2.308 9.052 1.00 0.00 N ATOM 463 CA ASP A 30 98.479 -0.982 9.156 1.00 0.00 C ATOM 464 C ASP A 30 96.959 -1.089 9.278 1.00 0.00 C ATOM 465 O ASP A 30 96.367 -2.096 8.895 1.00 0.00 O ATOM 466 CB ASP A 30 98.836 -0.144 7.920 1.00 0.00 C ATOM 467 CG ASP A 30 99.545 1.148 8.326 1.00 0.00 C ATOM 468 OD1 ASP A 30 99.234 1.672 9.383 1.00 0.00 O ATOM 469 OD2 ASP A 30 100.387 1.599 7.567 1.00 0.00 O ATOM 0 H ASP A 30 99.763 -2.408 8.298 1.00 0.00 H new ATOM 0 HA ASP A 30 98.870 -0.497 10.051 1.00 0.00 H new ATOM 0 HB2 ASP A 30 99.478 -0.723 7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 30 97.930 0.093 7.362 1.00 0.00 H new ATOM 474 N THR A 31 96.337 -0.040 9.806 1.00 0.00 N ATOM 475 CA THR A 31 94.885 -0.025 9.969 1.00 0.00 C ATOM 476 C THR A 31 94.234 0.781 8.853 1.00 0.00 C ATOM 477 O THR A 31 94.905 1.532 8.145 1.00 0.00 O ATOM 478 CB THR A 31 94.511 0.583 11.326 1.00 0.00 C ATOM 479 OG1 THR A 31 94.712 1.990 11.287 1.00 0.00 O ATOM 480 CG2 THR A 31 95.382 -0.029 12.425 1.00 0.00 C ATOM 0 H THR A 31 96.810 0.805 10.127 1.00 0.00 H new ATOM 0 HA THR A 31 94.523 -1.052 9.923 1.00 0.00 H new ATOM 0 HB THR A 31 93.463 0.371 11.539 1.00 0.00 H new ATOM 0 HG1 THR A 31 95.651 2.181 11.080 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.113 0.406 13.387 1.00 0.00 H new ATOM 0 HG22 THR A 31 95.223 -1.107 12.457 1.00 0.00 H new ATOM 0 HG23 THR A 31 96.431 0.177 12.215 1.00 0.00 H new ATOM 488 N ILE A 32 92.922 0.624 8.704 1.00 0.00 N ATOM 489 CA ILE A 32 92.186 1.350 7.674 1.00 0.00 C ATOM 490 C ILE A 32 92.470 2.844 7.783 1.00 0.00 C ATOM 491 O ILE A 32 92.782 3.496 6.790 1.00 0.00 O ATOM 492 CB ILE A 32 90.685 1.102 7.830 1.00 0.00 C ATOM 493 CG1 ILE A 32 90.388 -0.402 7.729 1.00 0.00 C ATOM 494 CG2 ILE A 32 89.916 1.852 6.737 1.00 0.00 C ATOM 495 CD1 ILE A 32 90.958 -0.968 6.423 1.00 0.00 C ATOM 0 H ILE A 32 92.350 0.005 9.279 1.00 0.00 H new ATOM 0 HA ILE A 32 92.510 0.994 6.696 1.00 0.00 H new ATOM 0 HB ILE A 32 90.367 1.465 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 32 90.824 -0.924 8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 32 89.312 -0.571 7.768 1.00 0.00 H new ATOM 0 HG21 ILE A 32 88.848 1.671 6.854 1.00 0.00 H new ATOM 0 HG22 ILE A 32 90.114 2.921 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 32 90.239 1.499 5.758 1.00 0.00 H new ATOM 0 HD11 ILE A 32 90.741 -2.035 6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 32 90.502 -0.457 5.575 1.00 0.00 H new ATOM 0 HD13 ILE A 32 92.037 -0.816 6.401 1.00 0.00 H new ATOM 507 N ASP A 33 92.356 3.377 8.999 1.00 0.00 N ATOM 508 CA ASP A 33 92.602 4.799 9.236 1.00 0.00 C ATOM 509 C ASP A 33 93.852 5.259 8.490 1.00 0.00 C ATOM 510 O ASP A 33 93.851 6.310 7.848 1.00 0.00 O ATOM 511 CB ASP A 33 92.773 5.054 10.736 1.00 0.00 C ATOM 512 CG ASP A 33 91.623 4.414 11.512 1.00 0.00 C ATOM 513 OD1 ASP A 33 91.659 3.209 11.702 1.00 0.00 O ATOM 514 OD2 ASP A 33 90.721 5.138 11.901 1.00 0.00 O ATOM 0 H ASP A 33 92.096 2.848 9.832 1.00 0.00 H new ATOM 0 HA ASP A 33 91.747 5.365 8.867 1.00 0.00 H new ATOM 0 HB2 ASP A 33 93.724 4.644 11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 33 92.800 6.126 10.930 1.00 0.00 H new ATOM 519 N ASN A 34 94.911 4.455 8.571 1.00 0.00 N ATOM 520 CA ASN A 34 96.163 4.777 7.890 1.00 0.00 C ATOM 521 C ASN A 34 95.958 4.749 6.378 1.00 0.00 C ATOM 522 O ASN A 34 96.515 5.568 5.650 1.00 0.00 O ATOM 523 CB ASN A 34 97.246 3.769 8.286 1.00 0.00 C ATOM 524 CG ASN A 34 97.803 4.117 9.663 1.00 0.00 C ATOM 525 OD1 ASN A 34 97.267 3.679 10.681 1.00 0.00 O ATOM 526 ND2 ASN A 34 98.856 4.883 9.755 1.00 0.00 N ATOM 0 H ASN A 34 94.927 3.582 9.098 1.00 0.00 H new ATOM 0 HA ASN A 34 96.480 5.777 8.187 1.00 0.00 H new ATOM 0 HB2 ASN A 34 96.830 2.761 8.297 1.00 0.00 H new ATOM 0 HB3 ASN A 34 98.048 3.775 7.548 1.00 0.00 H new ATOM 0 HD21 ASN A 34 99.236 5.120 10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 34 99.299 5.245 8.910 1.00 0.00 H new ATOM 533 N VAL A 35 95.136 3.807 5.923 1.00 0.00 N ATOM 534 CA VAL A 35 94.838 3.680 4.498 1.00 0.00 C ATOM 535 C VAL A 35 94.107 4.928 4.006 1.00 0.00 C ATOM 536 O VAL A 35 94.489 5.528 2.999 1.00 0.00 O ATOM 537 CB VAL A 35 93.976 2.436 4.239 1.00 0.00 C ATOM 538 CG1 VAL A 35 93.705 2.297 2.737 1.00 0.00 C ATOM 539 CG2 VAL A 35 94.711 1.186 4.737 1.00 0.00 C ATOM 0 H VAL A 35 94.666 3.123 6.516 1.00 0.00 H new ATOM 0 HA VAL A 35 95.777 3.575 3.954 1.00 0.00 H new ATOM 0 HB VAL A 35 93.031 2.541 4.771 1.00 0.00 H new ATOM 0 HG11 VAL A 35 93.093 1.413 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 35 93.178 3.182 2.379 1.00 0.00 H new ATOM 0 HG13 VAL A 35 94.651 2.198 2.204 1.00 0.00 H new ATOM 0 HG21 VAL A 35 94.097 0.305 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 35 95.658 1.086 4.207 1.00 0.00 H new ATOM 0 HG23 VAL A 35 94.901 1.278 5.806 1.00 0.00 H new ATOM 549 N LYS A 36 93.058 5.320 4.730 1.00 0.00 N ATOM 550 CA LYS A 36 92.286 6.503 4.362 1.00 0.00 C ATOM 551 C LYS A 36 93.185 7.734 4.359 1.00 0.00 C ATOM 552 O LYS A 36 93.373 8.369 3.324 1.00 0.00 O ATOM 553 CB LYS A 36 91.122 6.710 5.343 1.00 0.00 C ATOM 554 CG LYS A 36 90.426 5.374 5.644 1.00 0.00 C ATOM 555 CD LYS A 36 90.108 4.630 4.340 1.00 0.00 C ATOM 556 CE LYS A 36 89.177 5.479 3.471 1.00 0.00 C ATOM 557 NZ LYS A 36 88.534 4.613 2.442 1.00 0.00 N ATOM 0 H LYS A 36 92.727 4.840 5.567 1.00 0.00 H new ATOM 0 HA LYS A 36 91.880 6.355 3.362 1.00 0.00 H new ATOM 0 HB2 LYS A 36 91.493 7.150 6.269 1.00 0.00 H new ATOM 0 HB3 LYS A 36 90.404 7.414 4.921 1.00 0.00 H new ATOM 0 HG2 LYS A 36 91.066 4.757 6.275 1.00 0.00 H new ATOM 0 HG3 LYS A 36 89.507 5.553 6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 36 91.030 4.416 3.799 1.00 0.00 H new ATOM 0 HD3 LYS A 36 89.639 3.672 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 36 88.416 5.953 4.090 1.00 0.00 H new ATOM 0 HE3 LYS A 36 89.740 6.279 2.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 87.901 5.188 1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 89.267 4.180 1.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 87.984 3.865 2.912 1.00 0.00 H new ATOM 571 N SER A 37 93.735 8.069 5.524 1.00 0.00 N ATOM 572 CA SER A 37 94.616 9.230 5.640 1.00 0.00 C ATOM 573 C SER A 37 95.635 9.238 4.503 1.00 0.00 C ATOM 574 O SER A 37 95.831 10.254 3.837 1.00 0.00 O ATOM 575 CB SER A 37 95.342 9.202 6.985 1.00 0.00 C ATOM 576 OG SER A 37 96.039 7.971 7.121 1.00 0.00 O ATOM 0 H SER A 37 93.588 7.558 6.395 1.00 0.00 H new ATOM 0 HA SER A 37 94.011 10.135 5.577 1.00 0.00 H new ATOM 0 HB2 SER A 37 96.040 10.037 7.051 1.00 0.00 H new ATOM 0 HB3 SER A 37 94.627 9.319 7.799 1.00 0.00 H new ATOM 0 HG SER A 37 95.397 7.246 7.269 1.00 0.00 H new ATOM 582 N LYS A 38 96.275 8.092 4.287 1.00 0.00 N ATOM 583 CA LYS A 38 97.269 7.966 3.223 1.00 0.00 C ATOM 584 C LYS A 38 96.675 8.411 1.887 1.00 0.00 C ATOM 585 O LYS A 38 97.385 8.928 1.023 1.00 0.00 O ATOM 586 CB LYS A 38 97.750 6.515 3.118 1.00 0.00 C ATOM 587 CG LYS A 38 98.819 6.245 4.183 1.00 0.00 C ATOM 588 CD LYS A 38 100.194 6.662 3.650 1.00 0.00 C ATOM 589 CE LYS A 38 101.225 6.591 4.780 1.00 0.00 C ATOM 590 NZ LYS A 38 102.589 6.805 4.220 1.00 0.00 N ATOM 0 H LYS A 38 96.125 7.242 4.830 1.00 0.00 H new ATOM 0 HA LYS A 38 98.118 8.606 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 38 96.910 5.833 3.251 1.00 0.00 H new ATOM 0 HB3 LYS A 38 98.158 6.328 2.125 1.00 0.00 H new ATOM 0 HG2 LYS A 38 98.588 6.798 5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 38 98.825 5.187 4.446 1.00 0.00 H new ATOM 0 HD2 LYS A 38 100.492 6.008 2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 38 100.148 7.674 3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 38 101.007 7.347 5.534 1.00 0.00 H new ATOM 0 HE3 LYS A 38 101.171 5.622 5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 103.290 6.329 4.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 102.635 6.411 3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 102.795 7.824 4.187 1.00 0.00 H new ATOM 604 N ILE A 39 95.368 8.208 1.727 1.00 0.00 N ATOM 605 CA ILE A 39 94.685 8.593 0.495 1.00 0.00 C ATOM 606 C ILE A 39 94.639 10.116 0.354 1.00 0.00 C ATOM 607 O ILE A 39 94.951 10.650 -0.711 1.00 0.00 O ATOM 608 CB ILE A 39 93.263 7.994 0.471 1.00 0.00 C ATOM 609 CG1 ILE A 39 93.000 7.360 -0.905 1.00 0.00 C ATOM 610 CG2 ILE A 39 92.203 9.071 0.755 1.00 0.00 C ATOM 611 CD1 ILE A 39 92.832 8.450 -1.971 1.00 0.00 C ATOM 0 H ILE A 39 94.765 7.782 2.431 1.00 0.00 H new ATOM 0 HA ILE A 39 95.243 8.197 -0.354 1.00 0.00 H new ATOM 0 HB ILE A 39 93.195 7.235 1.250 1.00 0.00 H new ATOM 0 HG12 ILE A 39 93.827 6.703 -1.174 1.00 0.00 H new ATOM 0 HG13 ILE A 39 92.103 6.742 -0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 39 91.211 8.620 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 39 92.381 9.506 1.738 1.00 0.00 H new ATOM 0 HG23 ILE A 39 92.265 9.851 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 39 92.646 7.986 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 39 91.990 9.090 -1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 39 93.740 9.050 -2.024 1.00 0.00 H new ATOM 623 N GLN A 40 94.245 10.813 1.422 1.00 0.00 N ATOM 624 CA GLN A 40 94.163 12.273 1.379 1.00 0.00 C ATOM 625 C GLN A 40 95.542 12.891 1.163 1.00 0.00 C ATOM 626 O GLN A 40 95.658 14.025 0.710 1.00 0.00 O ATOM 627 CB GLN A 40 93.537 12.809 2.673 1.00 0.00 C ATOM 628 CG GLN A 40 94.630 13.217 3.669 1.00 0.00 C ATOM 629 CD GLN A 40 94.026 13.424 5.054 1.00 0.00 C ATOM 630 OE1 GLN A 40 93.203 14.320 5.247 1.00 0.00 O ATOM 631 NE2 GLN A 40 94.387 12.646 6.037 1.00 0.00 N ATOM 0 H GLN A 40 93.981 10.397 2.315 1.00 0.00 H new ATOM 0 HA GLN A 40 93.529 12.553 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 40 92.902 13.666 2.449 1.00 0.00 H new ATOM 0 HB3 GLN A 40 92.898 12.047 3.118 1.00 0.00 H new ATOM 0 HG2 GLN A 40 95.400 12.447 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 40 95.114 14.134 3.334 1.00 0.00 H new ATOM 0 HE21 GLN A 40 95.069 11.904 5.876 1.00 0.00 H new ATOM 0 HE22 GLN A 40 93.988 12.779 6.966 1.00 0.00 H new ATOM 640 N ASP A 41 96.588 12.141 1.486 1.00 0.00 N ATOM 641 CA ASP A 41 97.943 12.642 1.306 1.00 0.00 C ATOM 642 C ASP A 41 98.332 12.562 -0.168 1.00 0.00 C ATOM 643 O ASP A 41 99.045 13.423 -0.685 1.00 0.00 O ATOM 644 CB ASP A 41 98.923 11.817 2.147 1.00 0.00 C ATOM 645 CG ASP A 41 100.348 12.323 1.939 1.00 0.00 C ATOM 646 OD1 ASP A 41 100.722 13.275 2.604 1.00 0.00 O ATOM 647 OD2 ASP A 41 101.044 11.752 1.114 1.00 0.00 O ATOM 0 H ASP A 41 96.526 11.197 1.868 1.00 0.00 H new ATOM 0 HA ASP A 41 97.983 13.681 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 41 98.655 11.884 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 41 98.858 10.765 1.868 1.00 0.00 H new ATOM 652 N LYS A 42 97.870 11.503 -0.823 1.00 0.00 N ATOM 653 CA LYS A 42 98.179 11.279 -2.232 1.00 0.00 C ATOM 654 C LYS A 42 97.144 11.916 -3.165 1.00 0.00 C ATOM 655 O LYS A 42 97.502 12.411 -4.234 1.00 0.00 O ATOM 656 CB LYS A 42 98.257 9.774 -2.507 1.00 0.00 C ATOM 657 CG LYS A 42 99.508 9.192 -1.838 1.00 0.00 C ATOM 658 CD LYS A 42 100.737 9.455 -2.717 1.00 0.00 C ATOM 659 CE LYS A 42 100.938 8.288 -3.688 1.00 0.00 C ATOM 660 NZ LYS A 42 101.632 8.775 -4.913 1.00 0.00 N ATOM 0 H LYS A 42 97.280 10.785 -0.402 1.00 0.00 H new ATOM 0 HA LYS A 42 99.139 11.753 -2.435 1.00 0.00 H new ATOM 0 HB2 LYS A 42 97.364 9.278 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 42 98.289 9.592 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 42 99.649 9.642 -0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 42 99.383 8.120 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 42 100.607 10.384 -3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 101.622 9.578 -2.093 1.00 0.00 H new ATOM 0 HE2 LYS A 42 101.525 7.502 -3.213 1.00 0.00 H new ATOM 0 HE3 LYS A 42 99.975 7.851 -3.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 101.769 7.983 -5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 101.055 9.510 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 102.557 9.173 -4.653 1.00 0.00 H new ATOM 674 N GLU A 43 95.865 11.880 -2.782 1.00 0.00 N ATOM 675 CA GLU A 43 94.809 12.438 -3.634 1.00 0.00 C ATOM 676 C GLU A 43 94.062 13.592 -2.959 1.00 0.00 C ATOM 677 O GLU A 43 93.083 14.098 -3.509 1.00 0.00 O ATOM 678 CB GLU A 43 93.806 11.338 -3.998 1.00 0.00 C ATOM 679 CG GLU A 43 94.307 10.555 -5.218 1.00 0.00 C ATOM 680 CD GLU A 43 95.614 9.840 -4.886 1.00 0.00 C ATOM 681 OE1 GLU A 43 95.649 9.146 -3.884 1.00 0.00 O ATOM 682 OE2 GLU A 43 96.560 9.995 -5.640 1.00 0.00 O ATOM 0 H GLU A 43 95.538 11.478 -1.903 1.00 0.00 H new ATOM 0 HA GLU A 43 95.291 12.831 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 43 93.671 10.663 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 43 92.832 11.779 -4.213 1.00 0.00 H new ATOM 0 HG2 GLU A 43 93.555 9.829 -5.527 1.00 0.00 H new ATOM 0 HG3 GLU A 43 94.458 11.234 -6.057 1.00 0.00 H new ATOM 689 N GLY A 44 94.530 14.025 -1.791 1.00 0.00 N ATOM 690 CA GLY A 44 93.886 15.141 -1.090 1.00 0.00 C ATOM 691 C GLY A 44 92.522 14.745 -0.524 1.00 0.00 C ATOM 692 O GLY A 44 92.191 15.085 0.613 1.00 0.00 O ATOM 0 H GLY A 44 95.340 13.630 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 44 94.531 15.482 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 44 93.765 15.980 -1.776 1.00 0.00 H new ATOM 696 N ILE A 45 91.730 14.046 -1.338 1.00 0.00 N ATOM 697 CA ILE A 45 90.388 13.618 -0.941 1.00 0.00 C ATOM 698 C ILE A 45 90.344 13.176 0.526 1.00 0.00 C ATOM 699 O ILE A 45 91.093 12.291 0.937 1.00 0.00 O ATOM 700 CB ILE A 45 89.927 12.465 -1.839 1.00 0.00 C ATOM 701 CG1 ILE A 45 89.877 12.945 -3.295 1.00 0.00 C ATOM 702 CG2 ILE A 45 88.532 12.003 -1.404 1.00 0.00 C ATOM 703 CD1 ILE A 45 89.509 11.777 -4.213 1.00 0.00 C ATOM 0 H ILE A 45 91.997 13.763 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 45 89.719 14.471 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 45 90.626 11.633 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 45 89.145 13.746 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 45 90.843 13.357 -3.585 1.00 0.00 H new ATOM 0 HG21 ILE A 45 88.205 11.183 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 45 88.567 11.664 -0.369 1.00 0.00 H new ATOM 0 HG23 ILE A 45 87.830 12.833 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 45 89.475 12.123 -5.246 1.00 0.00 H new ATOM 0 HD12 ILE A 45 90.257 10.990 -4.118 1.00 0.00 H new ATOM 0 HD13 ILE A 45 88.532 11.385 -3.929 1.00 0.00 H new ATOM 715 N PRO A 46 89.480 13.781 1.311 1.00 0.00 N ATOM 716 CA PRO A 46 89.330 13.454 2.757 1.00 0.00 C ATOM 717 C PRO A 46 89.227 11.946 3.007 1.00 0.00 C ATOM 718 O PRO A 46 88.579 11.227 2.247 1.00 0.00 O ATOM 719 CB PRO A 46 88.032 14.156 3.187 1.00 0.00 C ATOM 720 CG PRO A 46 87.480 14.850 1.979 1.00 0.00 C ATOM 721 CD PRO A 46 88.559 14.848 0.900 1.00 0.00 C ATOM 0 HA PRO A 46 90.201 13.785 3.323 1.00 0.00 H new ATOM 0 HB2 PRO A 46 87.315 13.433 3.576 1.00 0.00 H new ATOM 0 HB3 PRO A 46 88.228 14.872 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.584 14.341 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.190 15.871 2.226 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.136 14.651 -0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.066 15.811 0.843 1.00 0.00 H new ATOM 729 N PRO A 47 89.848 11.467 4.058 1.00 0.00 N ATOM 730 CA PRO A 47 89.821 10.021 4.415 1.00 0.00 C ATOM 731 C PRO A 47 88.410 9.537 4.753 1.00 0.00 C ATOM 732 O PRO A 47 88.022 8.426 4.390 1.00 0.00 O ATOM 733 CB PRO A 47 90.739 9.889 5.638 1.00 0.00 C ATOM 734 CG PRO A 47 91.271 11.252 5.959 1.00 0.00 C ATOM 735 CD PRO A 47 90.639 12.264 5.005 1.00 0.00 C ATOM 0 HA PRO A 47 90.151 9.408 3.576 1.00 0.00 H new ATOM 0 HB2 PRO A 47 90.189 9.484 6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 47 91.557 9.199 5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 47 91.042 11.513 6.992 1.00 0.00 H new ATOM 0 HG3 PRO A 47 92.356 11.267 5.860 1.00 0.00 H new ATOM 0 HD2 PRO A 47 90.010 12.972 5.544 1.00 0.00 H new ATOM 0 HD3 PRO A 47 91.402 12.846 4.488 1.00 0.00 H new ATOM 743 N ASP A 48 87.652 10.378 5.455 1.00 0.00 N ATOM 744 CA ASP A 48 86.287 10.025 5.844 1.00 0.00 C ATOM 745 C ASP A 48 85.398 9.868 4.613 1.00 0.00 C ATOM 746 O ASP A 48 84.616 8.922 4.521 1.00 0.00 O ATOM 747 CB ASP A 48 85.709 11.104 6.765 1.00 0.00 C ATOM 748 CG ASP A 48 84.220 10.855 6.998 1.00 0.00 C ATOM 749 OD1 ASP A 48 83.890 9.818 7.550 1.00 0.00 O ATOM 750 OD2 ASP A 48 83.431 11.705 6.619 1.00 0.00 O ATOM 0 H ASP A 48 87.956 11.301 5.764 1.00 0.00 H new ATOM 0 HA ASP A 48 86.317 9.074 6.376 1.00 0.00 H new ATOM 0 HB2 ASP A 48 86.239 11.102 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 48 85.856 12.089 6.321 1.00 0.00 H new ATOM 755 N GLN A 49 85.525 10.804 3.674 1.00 0.00 N ATOM 756 CA GLN A 49 84.727 10.763 2.449 1.00 0.00 C ATOM 757 C GLN A 49 84.954 9.451 1.701 1.00 0.00 C ATOM 758 O GLN A 49 84.243 9.142 0.745 1.00 0.00 O ATOM 759 CB GLN A 49 85.093 11.940 1.540 1.00 0.00 C ATOM 760 CG GLN A 49 84.032 12.087 0.442 1.00 0.00 C ATOM 761 CD GLN A 49 84.353 13.282 -0.454 1.00 0.00 C ATOM 762 OE1 GLN A 49 83.459 13.830 -1.098 1.00 0.00 O ATOM 763 NE2 GLN A 49 85.580 13.716 -0.538 1.00 0.00 N ATOM 0 H GLN A 49 86.167 11.594 3.736 1.00 0.00 H new ATOM 0 HA GLN A 49 83.675 10.833 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 49 85.157 12.858 2.124 1.00 0.00 H new ATOM 0 HB3 GLN A 49 86.074 11.777 1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 49 83.991 11.177 -0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 49 83.048 12.217 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 49 86.320 13.261 -0.003 1.00 0.00 H new ATOM 0 HE22 GLN A 49 85.800 14.511 -1.138 1.00 0.00 H new ATOM 772 N GLN A 50 85.950 8.686 2.138 1.00 0.00 N ATOM 773 CA GLN A 50 86.260 7.415 1.498 1.00 0.00 C ATOM 774 C GLN A 50 85.973 6.246 2.441 1.00 0.00 C ATOM 775 O GLN A 50 85.969 6.404 3.662 1.00 0.00 O ATOM 776 CB GLN A 50 87.730 7.393 1.077 1.00 0.00 C ATOM 777 CG GLN A 50 88.018 8.579 0.150 1.00 0.00 C ATOM 778 CD GLN A 50 89.134 8.228 -0.829 1.00 0.00 C ATOM 779 OE1 GLN A 50 89.910 7.305 -0.584 1.00 0.00 O ATOM 780 NE2 GLN A 50 89.264 8.912 -1.931 1.00 0.00 N ATOM 0 H GLN A 50 86.551 8.923 2.927 1.00 0.00 H new ATOM 0 HA GLN A 50 85.627 7.309 0.617 1.00 0.00 H new ATOM 0 HB2 GLN A 50 88.371 7.442 1.957 1.00 0.00 H new ATOM 0 HB3 GLN A 50 87.959 6.457 0.568 1.00 0.00 H new ATOM 0 HG2 GLN A 50 87.115 8.848 -0.399 1.00 0.00 H new ATOM 0 HG3 GLN A 50 88.304 9.450 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 50 88.621 9.677 -2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 50 90.008 8.682 -2.589 1.00 0.00 H new ATOM 789 N ARG A 51 85.741 5.074 1.853 1.00 0.00 N ATOM 790 CA ARG A 51 85.461 3.862 2.622 1.00 0.00 C ATOM 791 C ARG A 51 86.158 2.669 1.975 1.00 0.00 C ATOM 792 O ARG A 51 86.650 2.771 0.853 1.00 0.00 O ATOM 793 CB ARG A 51 83.950 3.601 2.677 1.00 0.00 C ATOM 794 CG ARG A 51 83.213 4.882 3.076 1.00 0.00 C ATOM 795 CD ARG A 51 81.722 4.585 3.248 1.00 0.00 C ATOM 796 NE ARG A 51 81.482 3.915 4.522 1.00 0.00 N ATOM 797 CZ ARG A 51 80.760 2.800 4.588 1.00 0.00 C ATOM 798 NH1 ARG A 51 81.335 1.640 4.436 1.00 0.00 N ATOM 799 NH2 ARG A 51 79.474 2.866 4.805 1.00 0.00 N ATOM 0 H ARG A 51 85.741 4.937 0.842 1.00 0.00 H new ATOM 0 HA ARG A 51 85.835 3.999 3.637 1.00 0.00 H new ATOM 0 HB2 ARG A 51 83.596 3.256 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 51 83.735 2.809 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 51 83.625 5.276 4.005 1.00 0.00 H new ATOM 0 HG3 ARG A 51 83.356 5.648 2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 51 81.152 5.513 3.205 1.00 0.00 H new ATOM 0 HD3 ARG A 51 81.372 3.958 2.428 1.00 0.00 H new ATOM 0 HE ARG A 51 81.875 4.309 5.377 1.00 0.00 H new ATOM 0 HH11 ARG A 51 82.339 1.587 4.266 1.00 0.00 H new ATOM 0 HH12 ARG A 51 80.781 0.785 4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 51 79.023 3.773 4.924 1.00 0.00 H new ATOM 0 HH22 ARG A 51 78.921 2.011 4.855 1.00 0.00 H new ATOM 813 N LEU A 52 86.197 1.540 2.679 1.00 0.00 N ATOM 814 CA LEU A 52 86.836 0.338 2.148 1.00 0.00 C ATOM 815 C LEU A 52 85.831 -0.809 2.090 1.00 0.00 C ATOM 816 O LEU A 52 85.430 -1.342 3.124 1.00 0.00 O ATOM 817 CB LEU A 52 88.022 -0.060 3.041 1.00 0.00 C ATOM 818 CG LEU A 52 89.352 0.263 2.346 1.00 0.00 C ATOM 819 CD1 LEU A 52 89.444 -0.487 1.014 1.00 0.00 C ATOM 820 CD2 LEU A 52 89.450 1.770 2.093 1.00 0.00 C ATOM 0 H LEU A 52 85.797 1.432 3.611 1.00 0.00 H new ATOM 0 HA LEU A 52 87.196 0.547 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 52 87.963 0.471 3.991 1.00 0.00 H new ATOM 0 HB3 LEU A 52 87.973 -1.125 3.267 1.00 0.00 H new ATOM 0 HG LEU A 52 90.173 -0.051 2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 52 90.391 -0.251 0.528 1.00 0.00 H new ATOM 0 HD12 LEU A 52 89.387 -1.560 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 52 88.620 -0.184 0.368 1.00 0.00 H new ATOM 0 HD21 LEU A 52 90.395 1.995 1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 52 88.624 2.087 1.456 1.00 0.00 H new ATOM 0 HD23 LEU A 52 89.401 2.302 3.043 1.00 0.00 H new ATOM 832 N ILE A 53 85.426 -1.183 0.878 1.00 0.00 N ATOM 833 CA ILE A 53 84.467 -2.273 0.701 1.00 0.00 C ATOM 834 C ILE A 53 85.145 -3.455 0.023 1.00 0.00 C ATOM 835 O ILE A 53 85.723 -3.310 -1.055 1.00 0.00 O ATOM 836 CB ILE A 53 83.274 -1.797 -0.148 1.00 0.00 C ATOM 837 CG1 ILE A 53 82.140 -1.326 0.772 1.00 0.00 C ATOM 838 CG2 ILE A 53 82.756 -2.945 -1.027 1.00 0.00 C ATOM 839 CD1 ILE A 53 82.658 -0.267 1.750 1.00 0.00 C ATOM 0 H ILE A 53 85.743 -0.752 0.010 1.00 0.00 H new ATOM 0 HA ILE A 53 84.102 -2.584 1.680 1.00 0.00 H new ATOM 0 HB ILE A 53 83.605 -0.975 -0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 53 81.326 -0.914 0.176 1.00 0.00 H new ATOM 0 HG13 ILE A 53 81.734 -2.174 1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 53 81.913 -2.595 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 53 83.552 -3.284 -1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 53 82.435 -3.772 -0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 53 81.844 0.059 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 53 83.457 -0.692 2.358 1.00 0.00 H new ATOM 0 HD13 ILE A 53 83.042 0.587 1.192 1.00 0.00 H new ATOM 851 N TRP A 54 85.076 -4.622 0.657 1.00 0.00 N ATOM 852 CA TRP A 54 85.690 -5.815 0.094 1.00 0.00 C ATOM 853 C TRP A 54 85.019 -7.076 0.636 1.00 0.00 C ATOM 854 O TRP A 54 84.759 -7.192 1.835 1.00 0.00 O ATOM 855 CB TRP A 54 87.188 -5.835 0.429 1.00 0.00 C ATOM 856 CG TRP A 54 87.737 -7.217 0.240 1.00 0.00 C ATOM 857 CD1 TRP A 54 88.397 -7.924 1.187 1.00 0.00 C ATOM 858 CD2 TRP A 54 87.684 -8.067 -0.943 1.00 0.00 C ATOM 859 NE1 TRP A 54 88.751 -9.153 0.661 1.00 0.00 N ATOM 860 CE2 TRP A 54 88.335 -9.289 -0.648 1.00 0.00 C ATOM 861 CE3 TRP A 54 87.139 -7.900 -2.230 1.00 0.00 C ATOM 862 CZ2 TRP A 54 88.443 -10.306 -1.596 1.00 0.00 C ATOM 863 CZ3 TRP A 54 87.247 -8.923 -3.186 1.00 0.00 C ATOM 864 CH2 TRP A 54 87.897 -10.125 -2.868 1.00 0.00 C ATOM 0 H TRP A 54 84.606 -4.764 1.551 1.00 0.00 H new ATOM 0 HA TRP A 54 85.561 -5.794 -0.988 1.00 0.00 H new ATOM 0 HB2 TRP A 54 87.722 -5.132 -0.211 1.00 0.00 H new ATOM 0 HB3 TRP A 54 87.343 -5.511 1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 54 88.612 -7.584 2.189 1.00 0.00 H new ATOM 0 HE1 TRP A 54 89.258 -9.872 1.178 1.00 0.00 H new ATOM 0 HE3 TRP A 54 86.635 -6.979 -2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 88.946 -11.229 -1.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 86.827 -8.784 -4.171 1.00 0.00 H new ATOM 0 HH2 TRP A 54 87.975 -10.909 -3.606 1.00 0.00 H new ATOM 875 N ALA A 55 84.762 -8.019 -0.267 1.00 0.00 N ATOM 876 CA ALA A 55 84.141 -9.292 0.092 1.00 0.00 C ATOM 877 C ALA A 55 82.665 -9.126 0.458 1.00 0.00 C ATOM 878 O ALA A 55 82.174 -9.756 1.396 1.00 0.00 O ATOM 879 CB ALA A 55 84.898 -9.941 1.256 1.00 0.00 C ATOM 0 H ALA A 55 84.976 -7.924 -1.260 1.00 0.00 H new ATOM 0 HA ALA A 55 84.194 -9.939 -0.784 1.00 0.00 H new ATOM 0 HB1 ALA A 55 84.425 -10.889 1.514 1.00 0.00 H new ATOM 0 HB2 ALA A 55 85.933 -10.119 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 55 84.875 -9.277 2.120 1.00 0.00 H new ATOM 885 N GLY A 56 81.959 -8.299 -0.306 1.00 0.00 N ATOM 886 CA GLY A 56 80.530 -8.077 -0.083 1.00 0.00 C ATOM 887 C GLY A 56 80.240 -7.460 1.281 1.00 0.00 C ATOM 888 O GLY A 56 79.079 -7.253 1.636 1.00 0.00 O ATOM 0 H GLY A 56 82.351 -7.770 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 56 80.141 -7.423 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 56 80.001 -9.026 -0.169 1.00 0.00 H new ATOM 892 N LYS A 57 81.289 -7.171 2.044 1.00 0.00 N ATOM 893 CA LYS A 57 81.113 -6.582 3.366 1.00 0.00 C ATOM 894 C LYS A 57 81.919 -5.298 3.497 1.00 0.00 C ATOM 895 O LYS A 57 83.067 -5.220 3.055 1.00 0.00 O ATOM 896 CB LYS A 57 81.554 -7.574 4.444 1.00 0.00 C ATOM 897 CG LYS A 57 80.849 -7.247 5.766 1.00 0.00 C ATOM 898 CD LYS A 57 79.511 -7.992 5.836 1.00 0.00 C ATOM 899 CE LYS A 57 78.512 -7.182 6.667 1.00 0.00 C ATOM 900 NZ LYS A 57 78.823 -7.340 8.117 1.00 0.00 N ATOM 0 H LYS A 57 82.259 -7.333 1.774 1.00 0.00 H new ATOM 0 HA LYS A 57 80.057 -6.347 3.497 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.315 -8.592 4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 57 82.635 -7.526 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 57 81.481 -7.534 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 57 80.683 -6.173 5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 57 79.119 -8.150 4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 57 79.655 -8.977 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 57 78.560 -6.130 6.387 1.00 0.00 H new ATOM 0 HE3 LYS A 57 77.496 -7.520 6.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 78.144 -6.789 8.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 78.756 -8.344 8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 79.787 -6.997 8.305 1.00 0.00 H new ATOM 914 N GLN A 58 81.309 -4.298 4.122 1.00 0.00 N ATOM 915 CA GLN A 58 81.974 -3.018 4.330 1.00 0.00 C ATOM 916 C GLN A 58 83.022 -3.163 5.424 1.00 0.00 C ATOM 917 O GLN A 58 82.720 -3.636 6.521 1.00 0.00 O ATOM 918 CB GLN A 58 80.950 -1.950 4.729 1.00 0.00 C ATOM 919 CG GLN A 58 79.791 -1.945 3.729 1.00 0.00 C ATOM 920 CD GLN A 58 78.947 -0.689 3.914 1.00 0.00 C ATOM 921 OE1 GLN A 58 79.125 0.291 3.192 1.00 0.00 O ATOM 922 NE2 GLN A 58 78.035 -0.660 4.846 1.00 0.00 N ATOM 0 H GLN A 58 80.360 -4.348 4.492 1.00 0.00 H new ATOM 0 HA GLN A 58 82.457 -2.711 3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.575 -2.149 5.733 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.425 -0.969 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 58 80.178 -1.986 2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 58 79.174 -2.832 3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 58 77.890 -1.474 5.443 1.00 0.00 H new ATOM 0 HE22 GLN A 58 77.467 0.177 4.978 1.00 0.00 H new ATOM 931 N LEU A 59 84.254 -2.766 5.124 1.00 0.00 N ATOM 932 CA LEU A 59 85.335 -2.875 6.100 1.00 0.00 C ATOM 933 C LEU A 59 85.232 -1.771 7.145 1.00 0.00 C ATOM 934 O LEU A 59 84.937 -0.619 6.822 1.00 0.00 O ATOM 935 CB LEU A 59 86.696 -2.795 5.400 1.00 0.00 C ATOM 936 CG LEU A 59 86.819 -3.929 4.375 1.00 0.00 C ATOM 937 CD1 LEU A 59 88.076 -3.721 3.525 1.00 0.00 C ATOM 938 CD2 LEU A 59 86.914 -5.274 5.105 1.00 0.00 C ATOM 0 H LEU A 59 84.528 -2.370 4.225 1.00 0.00 H new ATOM 0 HA LEU A 59 85.244 -3.840 6.598 1.00 0.00 H new ATOM 0 HB2 LEU A 59 86.804 -1.830 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 59 87.498 -2.867 6.135 1.00 0.00 H new ATOM 0 HG LEU A 59 85.941 -3.927 3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 59 88.161 -4.528 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 59 88.008 -2.767 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 59 88.955 -3.720 4.170 1.00 0.00 H new ATOM 0 HD21 LEU A 59 87.001 -6.079 4.375 1.00 0.00 H new ATOM 0 HD22 LEU A 59 87.790 -5.275 5.753 1.00 0.00 H new ATOM 0 HD23 LEU A 59 86.018 -5.426 5.707 1.00 0.00 H new ATOM 950 N GLU A 60 85.482 -2.135 8.400 1.00 0.00 N ATOM 951 CA GLU A 60 85.423 -1.177 9.498 1.00 0.00 C ATOM 952 C GLU A 60 86.810 -0.610 9.776 1.00 0.00 C ATOM 953 O GLU A 60 87.809 -1.320 9.678 1.00 0.00 O ATOM 954 CB GLU A 60 84.886 -1.859 10.758 1.00 0.00 C ATOM 955 CG GLU A 60 83.387 -2.136 10.597 1.00 0.00 C ATOM 956 CD GLU A 60 83.067 -3.558 11.051 1.00 0.00 C ATOM 957 OE1 GLU A 60 82.789 -3.736 12.225 1.00 0.00 O ATOM 958 OE2 GLU A 60 83.103 -4.448 10.216 1.00 0.00 O ATOM 0 H GLU A 60 85.727 -3.085 8.681 1.00 0.00 H new ATOM 0 HA GLU A 60 84.755 -0.363 9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.421 -2.792 10.934 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.057 -1.224 11.628 1.00 0.00 H new ATOM 0 HG2 GLU A 60 82.811 -1.420 11.184 1.00 0.00 H new ATOM 0 HG3 GLU A 60 83.094 -2.003 9.556 1.00 0.00 H new ATOM 965 N ASP A 61 86.861 0.679 10.103 1.00 0.00 N ATOM 966 CA ASP A 61 88.132 1.346 10.377 1.00 0.00 C ATOM 967 C ASP A 61 88.978 0.555 11.377 1.00 0.00 C ATOM 968 O ASP A 61 90.200 0.703 11.420 1.00 0.00 O ATOM 969 CB ASP A 61 87.881 2.756 10.920 1.00 0.00 C ATOM 970 CG ASP A 61 88.278 3.796 9.874 1.00 0.00 C ATOM 971 OD1 ASP A 61 89.453 3.865 9.549 1.00 0.00 O ATOM 972 OD2 ASP A 61 87.402 4.508 9.410 1.00 0.00 O ATOM 0 H ASP A 61 86.041 1.280 10.185 1.00 0.00 H new ATOM 0 HA ASP A 61 88.682 1.406 9.438 1.00 0.00 H new ATOM 0 HB2 ASP A 61 86.829 2.873 11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 61 88.454 2.910 11.834 1.00 0.00 H new ATOM 977 N GLY A 62 88.322 -0.284 12.179 1.00 0.00 N ATOM 978 CA GLY A 62 89.026 -1.090 13.176 1.00 0.00 C ATOM 979 C GLY A 62 89.745 -2.277 12.533 1.00 0.00 C ATOM 980 O GLY A 62 90.398 -3.061 13.223 1.00 0.00 O ATOM 0 H GLY A 62 87.312 -0.423 12.158 1.00 0.00 H new ATOM 0 HA2 GLY A 62 89.749 -0.468 13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 62 88.316 -1.453 13.919 1.00 0.00 H new ATOM 984 N ARG A 63 89.618 -2.404 11.214 1.00 0.00 N ATOM 985 CA ARG A 63 90.256 -3.502 10.488 1.00 0.00 C ATOM 986 C ARG A 63 91.745 -3.227 10.288 1.00 0.00 C ATOM 987 O ARG A 63 92.164 -2.074 10.168 1.00 0.00 O ATOM 988 CB ARG A 63 89.577 -3.690 9.127 1.00 0.00 C ATOM 989 CG ARG A 63 89.967 -5.048 8.529 1.00 0.00 C ATOM 990 CD ARG A 63 88.774 -6.006 8.601 1.00 0.00 C ATOM 991 NE ARG A 63 88.878 -7.016 7.553 1.00 0.00 N ATOM 992 CZ ARG A 63 88.657 -8.301 7.810 1.00 0.00 C ATOM 993 NH1 ARG A 63 89.494 -8.970 8.553 1.00 0.00 N ATOM 994 NH2 ARG A 63 87.604 -8.894 7.319 1.00 0.00 N ATOM 0 H ARG A 63 89.082 -1.764 10.628 1.00 0.00 H new ATOM 0 HA ARG A 63 90.148 -4.413 11.077 1.00 0.00 H new ATOM 0 HB2 ARG A 63 88.495 -3.631 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 63 89.871 -2.888 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 63 90.283 -4.923 7.493 1.00 0.00 H new ATOM 0 HG3 ARG A 63 90.814 -5.466 9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 63 88.742 -6.487 9.579 1.00 0.00 H new ATOM 0 HD3 ARG A 63 87.843 -5.449 8.489 1.00 0.00 H new ATOM 0 HE ARG A 63 89.125 -6.730 6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 63 90.318 -8.507 8.937 1.00 0.00 H new ATOM 0 HH12 ARG A 63 89.325 -9.956 8.751 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.949 -8.371 6.737 1.00 0.00 H new ATOM 0 HH22 ARG A 63 87.435 -9.880 7.517 1.00 0.00 H new ATOM 1008 N THR A 64 92.537 -4.298 10.252 1.00 0.00 N ATOM 1009 CA THR A 64 93.981 -4.176 10.065 1.00 0.00 C ATOM 1010 C THR A 64 94.402 -4.770 8.723 1.00 0.00 C ATOM 1011 O THR A 64 93.606 -5.414 8.039 1.00 0.00 O ATOM 1012 CB THR A 64 94.720 -4.906 11.192 1.00 0.00 C ATOM 1013 OG1 THR A 64 94.162 -6.202 11.360 1.00 0.00 O ATOM 1014 CG2 THR A 64 94.588 -4.117 12.496 1.00 0.00 C ATOM 0 H THR A 64 92.204 -5.257 10.350 1.00 0.00 H new ATOM 0 HA THR A 64 94.238 -3.117 10.083 1.00 0.00 H new ATOM 0 HB THR A 64 95.775 -4.994 10.934 1.00 0.00 H new ATOM 0 HG1 THR A 64 94.634 -6.671 12.079 1.00 0.00 H new ATOM 0 HG21 THR A 64 95.115 -4.641 13.293 1.00 0.00 H new ATOM 0 HG22 THR A 64 95.020 -3.125 12.366 1.00 0.00 H new ATOM 0 HG23 THR A 64 93.534 -4.022 12.759 1.00 0.00 H new ATOM 1022 N LEU A 65 95.662 -4.550 8.360 1.00 0.00 N ATOM 1023 CA LEU A 65 96.198 -5.068 7.106 1.00 0.00 C ATOM 1024 C LEU A 65 96.660 -6.511 7.299 1.00 0.00 C ATOM 1025 O LEU A 65 96.516 -7.351 6.409 1.00 0.00 O ATOM 1026 CB LEU A 65 97.375 -4.188 6.643 1.00 0.00 C ATOM 1027 CG LEU A 65 96.860 -3.005 5.805 1.00 0.00 C ATOM 1028 CD1 LEU A 65 98.023 -2.364 5.045 1.00 0.00 C ATOM 1029 CD2 LEU A 65 95.810 -3.478 4.792 1.00 0.00 C ATOM 0 H LEU A 65 96.330 -4.017 8.916 1.00 0.00 H new ATOM 0 HA LEU A 65 95.420 -5.047 6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 65 97.924 -3.817 7.509 1.00 0.00 H new ATOM 0 HB3 LEU A 65 98.073 -4.783 6.054 1.00 0.00 H new ATOM 0 HG LEU A 65 96.408 -2.279 6.480 1.00 0.00 H new ATOM 0 HD11 LEU A 65 97.653 -1.527 4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 65 98.768 -2.005 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 65 98.477 -3.103 4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.458 -2.627 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 65 96.255 -4.216 4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 65 94.970 -3.927 5.322 1.00 0.00 H new ATOM 1041 N SER A 66 97.212 -6.780 8.478 1.00 0.00 N ATOM 1042 CA SER A 66 97.702 -8.113 8.820 1.00 0.00 C ATOM 1043 C SER A 66 96.538 -9.066 9.077 1.00 0.00 C ATOM 1044 O SER A 66 96.734 -10.276 9.203 1.00 0.00 O ATOM 1045 CB SER A 66 98.587 -8.039 10.065 1.00 0.00 C ATOM 1046 OG SER A 66 97.921 -7.287 11.071 1.00 0.00 O ATOM 0 H SER A 66 97.332 -6.088 9.218 1.00 0.00 H new ATOM 0 HA SER A 66 98.285 -8.491 7.980 1.00 0.00 H new ATOM 0 HB2 SER A 66 98.806 -9.043 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 66 99.542 -7.574 9.819 1.00 0.00 H new ATOM 0 HG SER A 66 98.485 -7.239 11.871 1.00 0.00 H new ATOM 1052 N ASP A 67 95.329 -8.512 9.149 1.00 0.00 N ATOM 1053 CA ASP A 67 94.138 -9.323 9.387 1.00 0.00 C ATOM 1054 C ASP A 67 94.062 -10.452 8.364 1.00 0.00 C ATOM 1055 O ASP A 67 94.093 -11.631 8.718 1.00 0.00 O ATOM 1056 CB ASP A 67 92.883 -8.449 9.291 1.00 0.00 C ATOM 1057 CG ASP A 67 91.965 -8.713 10.481 1.00 0.00 C ATOM 1058 OD1 ASP A 67 91.480 -9.827 10.595 1.00 0.00 O ATOM 1059 OD2 ASP A 67 91.759 -7.797 11.260 1.00 0.00 O ATOM 0 H ASP A 67 95.149 -7.513 9.047 1.00 0.00 H new ATOM 0 HA ASP A 67 94.197 -9.753 10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 67 93.165 -7.396 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 67 92.355 -8.659 8.361 1.00 0.00 H new ATOM 1064 N TYR A 68 93.965 -10.074 7.092 1.00 0.00 N ATOM 1065 CA TYR A 68 93.888 -11.051 6.011 1.00 0.00 C ATOM 1066 C TYR A 68 95.266 -11.280 5.393 1.00 0.00 C ATOM 1067 O TYR A 68 95.408 -12.057 4.448 1.00 0.00 O ATOM 1068 CB TYR A 68 92.915 -10.557 4.934 1.00 0.00 C ATOM 1069 CG TYR A 68 91.566 -11.206 5.137 1.00 0.00 C ATOM 1070 CD1 TYR A 68 90.809 -10.911 6.278 1.00 0.00 C ATOM 1071 CD2 TYR A 68 91.072 -12.104 4.183 1.00 0.00 C ATOM 1072 CE1 TYR A 68 89.559 -11.514 6.464 1.00 0.00 C ATOM 1073 CE2 TYR A 68 89.822 -12.706 4.369 1.00 0.00 C ATOM 1074 CZ TYR A 68 89.066 -12.412 5.510 1.00 0.00 C ATOM 1075 OH TYR A 68 87.833 -13.004 5.692 1.00 0.00 O ATOM 0 H TYR A 68 93.938 -9.101 6.786 1.00 0.00 H new ATOM 0 HA TYR A 68 93.529 -11.995 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 68 92.820 -9.472 4.985 1.00 0.00 H new ATOM 0 HB3 TYR A 68 93.300 -10.797 3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 68 91.189 -10.218 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 68 91.656 -12.332 3.303 1.00 0.00 H new ATOM 0 HE1 TYR A 68 88.975 -11.286 7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 68 89.441 -13.397 3.632 1.00 0.00 H new ATOM 0 HH TYR A 68 87.641 -13.599 4.937 1.00 0.00 H new ATOM 1085 N ASN A 69 96.274 -10.586 5.926 1.00 0.00 N ATOM 1086 CA ASN A 69 97.640 -10.703 5.418 1.00 0.00 C ATOM 1087 C ASN A 69 97.758 -9.997 4.069 1.00 0.00 C ATOM 1088 O ASN A 69 98.471 -10.451 3.173 1.00 0.00 O ATOM 1089 CB ASN A 69 98.037 -12.180 5.277 1.00 0.00 C ATOM 1090 CG ASN A 69 99.556 -12.320 5.327 1.00 0.00 C ATOM 1091 OD1 ASN A 69 100.139 -12.388 6.409 1.00 0.00 O ATOM 1092 ND2 ASN A 69 100.235 -12.369 4.214 1.00 0.00 N ATOM 0 H ASN A 69 96.169 -9.939 6.707 1.00 0.00 H new ATOM 0 HA ASN A 69 98.317 -10.229 6.128 1.00 0.00 H new ATOM 0 HB2 ASN A 69 97.583 -12.765 6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 69 97.658 -12.579 4.336 1.00 0.00 H new ATOM 0 HD21 ASN A 69 101.250 -12.464 4.240 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.751 -12.313 3.318 1.00 0.00 H new ATOM 1099 N ILE A 70 97.044 -8.882 3.942 1.00 0.00 N ATOM 1100 CA ILE A 70 97.056 -8.099 2.710 1.00 0.00 C ATOM 1101 C ILE A 70 98.488 -7.741 2.312 1.00 0.00 C ATOM 1102 O ILE A 70 99.200 -7.068 3.059 1.00 0.00 O ATOM 1103 CB ILE A 70 96.228 -6.823 2.903 1.00 0.00 C ATOM 1104 CG1 ILE A 70 94.739 -7.187 2.952 1.00 0.00 C ATOM 1105 CG2 ILE A 70 96.480 -5.856 1.740 1.00 0.00 C ATOM 1106 CD1 ILE A 70 93.975 -6.134 3.761 1.00 0.00 C ATOM 0 H ILE A 70 96.449 -8.500 4.678 1.00 0.00 H new ATOM 0 HA ILE A 70 96.618 -8.696 1.910 1.00 0.00 H new ATOM 0 HB ILE A 70 96.520 -6.342 3.837 1.00 0.00 H new ATOM 0 HG12 ILE A 70 94.336 -7.245 1.941 1.00 0.00 H new ATOM 0 HG13 ILE A 70 94.610 -8.170 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 70 95.888 -4.952 1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 70 97.538 -5.596 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 70 96.193 -6.332 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 70 92.918 -6.397 3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 70 94.371 -6.097 4.776 1.00 0.00 H new ATOM 0 HD13 ILE A 70 94.092 -5.158 3.290 1.00 0.00 H new ATOM 1118 N GLN A 71 98.901 -8.203 1.132 1.00 0.00 N ATOM 1119 CA GLN A 71 100.249 -7.935 0.635 1.00 0.00 C ATOM 1120 C GLN A 71 100.259 -6.701 -0.262 1.00 0.00 C ATOM 1121 O GLN A 71 99.253 -6.373 -0.891 1.00 0.00 O ATOM 1122 CB GLN A 71 100.764 -9.143 -0.152 1.00 0.00 C ATOM 1123 CG GLN A 71 100.952 -10.333 0.792 1.00 0.00 C ATOM 1124 CD GLN A 71 101.107 -11.620 -0.011 1.00 0.00 C ATOM 1125 OE1 GLN A 71 102.214 -11.968 -0.422 1.00 0.00 O ATOM 1126 NE2 GLN A 71 100.056 -12.352 -0.264 1.00 0.00 N ATOM 0 H GLN A 71 98.323 -8.763 0.505 1.00 0.00 H new ATOM 0 HA GLN A 71 100.899 -7.751 1.490 1.00 0.00 H new ATOM 0 HB2 GLN A 71 100.059 -9.401 -0.942 1.00 0.00 H new ATOM 0 HB3 GLN A 71 101.709 -8.898 -0.636 1.00 0.00 H new ATOM 0 HG2 GLN A 71 101.832 -10.176 1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 71 100.096 -10.414 1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 71 99.139 -12.063 0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 71 100.152 -13.213 -0.803 1.00 0.00 H new ATOM 1135 N ARG A 72 101.405 -6.024 -0.311 1.00 0.00 N ATOM 1136 CA ARG A 72 101.549 -4.821 -1.132 1.00 0.00 C ATOM 1137 C ARG A 72 100.990 -5.047 -2.537 1.00 0.00 C ATOM 1138 O ARG A 72 100.347 -4.165 -3.107 1.00 0.00 O ATOM 1139 CB ARG A 72 103.027 -4.415 -1.220 1.00 0.00 C ATOM 1140 CG ARG A 72 103.884 -5.631 -1.592 1.00 0.00 C ATOM 1141 CD ARG A 72 105.364 -5.242 -1.563 1.00 0.00 C ATOM 1142 NE ARG A 72 106.194 -6.392 -1.907 1.00 0.00 N ATOM 1143 CZ ARG A 72 107.404 -6.551 -1.380 1.00 0.00 C ATOM 1144 NH1 ARG A 72 107.548 -7.203 -0.258 1.00 0.00 N ATOM 1145 NH2 ARG A 72 108.449 -6.055 -1.983 1.00 0.00 N ATOM 0 H ARG A 72 102.245 -6.286 0.205 1.00 0.00 H new ATOM 0 HA ARG A 72 100.982 -4.019 -0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 72 103.153 -3.629 -1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 72 103.357 -4.005 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 72 103.698 -6.447 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 72 103.611 -5.991 -2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 72 105.548 -4.429 -2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 72 105.632 -4.874 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 72 105.839 -7.087 -2.564 1.00 0.00 H new ATOM 0 HH11 ARG A 72 106.732 -7.591 0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 72 108.477 -7.325 0.146 1.00 0.00 H new ATOM 0 HH21 ARG A 72 108.338 -5.545 -2.859 1.00 0.00 H new ATOM 0 HH22 ARG A 72 109.377 -6.177 -1.578 1.00 0.00 H new ATOM 1159 N GLU A 73 101.239 -6.233 -3.089 1.00 0.00 N ATOM 1160 CA GLU A 73 100.755 -6.562 -4.427 1.00 0.00 C ATOM 1161 C GLU A 73 99.268 -6.927 -4.392 1.00 0.00 C ATOM 1162 O GLU A 73 98.860 -7.963 -4.922 1.00 0.00 O ATOM 1163 CB GLU A 73 101.563 -7.734 -4.996 1.00 0.00 C ATOM 1164 CG GLU A 73 102.994 -7.276 -5.302 1.00 0.00 C ATOM 1165 CD GLU A 73 103.031 -6.518 -6.627 1.00 0.00 C ATOM 1166 OE1 GLU A 73 103.031 -7.168 -7.660 1.00 0.00 O ATOM 1167 OE2 GLU A 73 103.060 -5.298 -6.589 1.00 0.00 O ATOM 0 H GLU A 73 101.769 -6.977 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 73 100.881 -5.688 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 73 101.579 -8.557 -4.282 1.00 0.00 H new ATOM 0 HB3 GLU A 73 101.089 -8.108 -5.903 1.00 0.00 H new ATOM 0 HG2 GLU A 73 103.359 -6.637 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 73 103.658 -8.139 -5.349 1.00 0.00 H new ATOM 1174 N SER A 74 98.464 -6.070 -3.762 1.00 0.00 N ATOM 1175 CA SER A 74 97.025 -6.310 -3.659 1.00 0.00 C ATOM 1176 C SER A 74 96.233 -5.094 -4.138 1.00 0.00 C ATOM 1177 O SER A 74 96.693 -3.955 -4.026 1.00 0.00 O ATOM 1178 CB SER A 74 96.650 -6.618 -2.208 1.00 0.00 C ATOM 1179 OG SER A 74 95.254 -6.871 -2.125 1.00 0.00 O ATOM 0 H SER A 74 98.782 -5.209 -3.318 1.00 0.00 H new ATOM 0 HA SER A 74 96.777 -7.162 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 74 97.209 -7.483 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 74 96.918 -5.779 -1.566 1.00 0.00 H new ATOM 0 HG SER A 74 95.012 -7.070 -1.196 1.00 0.00 H new ATOM 1185 N THR A 75 95.032 -5.352 -4.655 1.00 0.00 N ATOM 1186 CA THR A 75 94.159 -4.287 -5.138 1.00 0.00 C ATOM 1187 C THR A 75 92.988 -4.102 -4.177 1.00 0.00 C ATOM 1188 O THR A 75 92.075 -4.927 -4.125 1.00 0.00 O ATOM 1189 CB THR A 75 93.636 -4.628 -6.538 1.00 0.00 C ATOM 1190 OG1 THR A 75 94.732 -4.954 -7.384 1.00 0.00 O ATOM 1191 CG2 THR A 75 92.885 -3.425 -7.117 1.00 0.00 C ATOM 0 H THR A 75 94.643 -6.290 -4.749 1.00 0.00 H new ATOM 0 HA THR A 75 94.729 -3.359 -5.191 1.00 0.00 H new ATOM 0 HB THR A 75 92.957 -5.478 -6.473 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.400 -5.174 -8.279 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.515 -3.672 -8.112 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.045 -3.174 -6.469 1.00 0.00 H new ATOM 0 HG23 THR A 75 93.560 -2.572 -7.182 1.00 0.00 H new ATOM 1199 N LEU A 76 93.036 -3.020 -3.407 1.00 0.00 N ATOM 1200 CA LEU A 76 91.994 -2.728 -2.429 1.00 0.00 C ATOM 1201 C LEU A 76 90.868 -1.904 -3.048 1.00 0.00 C ATOM 1202 O LEU A 76 91.099 -0.815 -3.573 1.00 0.00 O ATOM 1203 CB LEU A 76 92.603 -1.956 -1.251 1.00 0.00 C ATOM 1204 CG LEU A 76 92.622 -2.834 0.009 1.00 0.00 C ATOM 1205 CD1 LEU A 76 91.203 -3.312 0.336 1.00 0.00 C ATOM 1206 CD2 LEU A 76 93.533 -4.045 -0.221 1.00 0.00 C ATOM 0 H LEU A 76 93.786 -2.330 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 76 91.575 -3.673 -2.083 1.00 0.00 H new ATOM 0 HB2 LEU A 76 93.617 -1.642 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 76 92.025 -1.051 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 76 93.002 -2.248 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 76 91.226 -3.934 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.560 -2.450 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 90.813 -3.893 -0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 76 93.545 -4.667 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 76 93.158 -4.628 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 76 94.545 -3.703 -0.439 1.00 0.00 H new ATOM 1218 N HIS A 77 89.646 -2.424 -2.963 1.00 0.00 N ATOM 1219 CA HIS A 77 88.485 -1.719 -3.498 1.00 0.00 C ATOM 1220 C HIS A 77 88.088 -0.596 -2.546 1.00 0.00 C ATOM 1221 O HIS A 77 87.529 -0.846 -1.473 1.00 0.00 O ATOM 1222 CB HIS A 77 87.315 -2.692 -3.674 1.00 0.00 C ATOM 1223 CG HIS A 77 87.513 -3.498 -4.929 1.00 0.00 C ATOM 1224 ND1 HIS A 77 87.334 -2.957 -6.192 1.00 0.00 N ATOM 1225 CD2 HIS A 77 87.875 -4.808 -5.129 1.00 0.00 C ATOM 1226 CE1 HIS A 77 87.587 -3.929 -7.089 1.00 0.00 C ATOM 1227 NE2 HIS A 77 87.921 -5.078 -6.494 1.00 0.00 N ATOM 0 H HIS A 77 89.435 -3.324 -2.532 1.00 0.00 H new ATOM 0 HA HIS A 77 88.739 -1.296 -4.470 1.00 0.00 H new ATOM 0 HB2 HIS A 77 87.247 -3.355 -2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 77 86.376 -2.141 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 77 88.091 -5.520 -4.346 1.00 0.00 H new ATOM 0 HE1 HIS A 77 87.527 -3.796 -8.159 1.00 0.00 H new ATOM 0 HE2 HIS A 77 88.159 -5.962 -6.943 1.00 0.00 H new ATOM 1235 N LEU A 78 88.387 0.641 -2.935 1.00 0.00 N ATOM 1236 CA LEU A 78 88.073 1.798 -2.105 1.00 0.00 C ATOM 1237 C LEU A 78 86.794 2.484 -2.578 1.00 0.00 C ATOM 1238 O LEU A 78 86.618 2.736 -3.769 1.00 0.00 O ATOM 1239 CB LEU A 78 89.235 2.795 -2.160 1.00 0.00 C ATOM 1240 CG LEU A 78 88.948 3.984 -1.236 1.00 0.00 C ATOM 1241 CD1 LEU A 78 90.215 4.346 -0.455 1.00 0.00 C ATOM 1242 CD2 LEU A 78 88.502 5.187 -2.075 1.00 0.00 C ATOM 0 H LEU A 78 88.845 0.866 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 78 87.921 1.455 -1.082 1.00 0.00 H new ATOM 0 HB2 LEU A 78 90.161 2.305 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 78 89.378 3.144 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 78 88.157 3.716 -0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 78 90.009 5.192 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 78 90.531 3.491 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 78 91.009 4.613 -1.153 1.00 0.00 H new ATOM 0 HD21 LEU A 78 88.298 6.033 -1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 78 89.292 5.455 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 78 87.598 4.930 -2.628 1.00 0.00 H new ATOM 1254 N VAL A 79 85.910 2.786 -1.634 1.00 0.00 N ATOM 1255 CA VAL A 79 84.651 3.453 -1.949 1.00 0.00 C ATOM 1256 C VAL A 79 84.781 4.956 -1.696 1.00 0.00 C ATOM 1257 O VAL A 79 85.445 5.376 -0.750 1.00 0.00 O ATOM 1258 CB VAL A 79 83.529 2.857 -1.084 1.00 0.00 C ATOM 1259 CG1 VAL A 79 82.471 3.921 -0.769 1.00 0.00 C ATOM 1260 CG2 VAL A 79 82.872 1.695 -1.835 1.00 0.00 C ATOM 0 H VAL A 79 86.041 2.580 -0.644 1.00 0.00 H new ATOM 0 HA VAL A 79 84.408 3.300 -3.001 1.00 0.00 H new ATOM 0 HB VAL A 79 83.959 2.500 -0.148 1.00 0.00 H new ATOM 0 HG11 VAL A 79 81.684 3.481 -0.156 1.00 0.00 H new ATOM 0 HG12 VAL A 79 82.934 4.746 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 79 82.041 4.293 -1.699 1.00 0.00 H new ATOM 0 HG21 VAL A 79 82.076 1.270 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL A 79 82.454 2.058 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 79 83.618 0.928 -2.043 1.00 0.00 H new ATOM 1270 N LEU A 80 84.147 5.759 -2.551 1.00 0.00 N ATOM 1271 CA LEU A 80 84.203 7.213 -2.410 1.00 0.00 C ATOM 1272 C LEU A 80 82.793 7.796 -2.321 1.00 0.00 C ATOM 1273 O LEU A 80 82.133 8.006 -3.340 1.00 0.00 O ATOM 1274 CB LEU A 80 84.945 7.826 -3.606 1.00 0.00 C ATOM 1275 CG LEU A 80 86.142 8.640 -3.106 1.00 0.00 C ATOM 1276 CD1 LEU A 80 87.060 8.978 -4.284 1.00 0.00 C ATOM 1277 CD2 LEU A 80 85.644 9.938 -2.458 1.00 0.00 C ATOM 0 H LEU A 80 83.593 5.430 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 80 84.739 7.453 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 80 85.284 7.038 -4.279 1.00 0.00 H new ATOM 0 HB3 LEU A 80 84.271 8.465 -4.176 1.00 0.00 H new ATOM 0 HG LEU A 80 86.695 8.055 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 80 87.912 9.557 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 80 87.416 8.056 -4.744 1.00 0.00 H new ATOM 0 HD13 LEU A 80 86.507 9.561 -5.020 1.00 0.00 H new ATOM 0 HD21 LEU A 80 86.496 10.517 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 80 85.090 10.522 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 80 84.992 9.698 -1.618 1.00 0.00 H new ATOM 1289 N ARG A 81 82.338 8.051 -1.096 1.00 0.00 N ATOM 1290 CA ARG A 81 81.003 8.604 -0.886 1.00 0.00 C ATOM 1291 C ARG A 81 80.983 10.106 -1.152 1.00 0.00 C ATOM 1292 O ARG A 81 82.026 10.728 -1.357 1.00 0.00 O ATOM 1293 CB ARG A 81 80.521 8.315 0.541 1.00 0.00 C ATOM 1294 CG ARG A 81 81.543 8.829 1.560 1.00 0.00 C ATOM 1295 CD ARG A 81 80.919 8.824 2.958 1.00 0.00 C ATOM 1296 NE ARG A 81 81.960 8.921 3.975 1.00 0.00 N ATOM 1297 CZ ARG A 81 81.801 8.378 5.179 1.00 0.00 C ATOM 1298 NH1 ARG A 81 80.989 8.925 6.041 1.00 0.00 N ATOM 1299 NH2 ARG A 81 82.459 7.296 5.497 1.00 0.00 N ATOM 0 H ARG A 81 82.869 7.885 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 81 80.326 8.123 -1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 81 79.556 8.793 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 81 80.373 7.243 0.672 1.00 0.00 H new ATOM 0 HG2 ARG A 81 82.434 8.201 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 81 81.860 9.838 1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 80.225 9.658 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 81 80.342 7.911 3.103 1.00 0.00 H new ATOM 0 HE ARG A 81 82.826 9.414 3.759 1.00 0.00 H new ATOM 0 HH11 ARG A 81 80.475 9.770 5.792 1.00 0.00 H new ATOM 0 HH12 ARG A 81 80.868 8.508 6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 81 83.094 6.868 4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 81 82.338 6.878 6.420 1.00 0.00 H new ATOM 1313 N LEU A 82 79.780 10.676 -1.160 1.00 0.00 N ATOM 1314 CA LEU A 82 79.612 12.103 -1.413 1.00 0.00 C ATOM 1315 C LEU A 82 79.601 12.892 -0.107 1.00 0.00 C ATOM 1316 O LEU A 82 79.071 12.430 0.905 1.00 0.00 O ATOM 1317 CB LEU A 82 78.295 12.339 -2.163 1.00 0.00 C ATOM 1318 CG LEU A 82 78.544 13.217 -3.395 1.00 0.00 C ATOM 1319 CD1 LEU A 82 77.274 13.272 -4.247 1.00 0.00 C ATOM 1320 CD2 LEU A 82 78.917 14.634 -2.951 1.00 0.00 C ATOM 0 H LEU A 82 78.909 10.171 -0.994 1.00 0.00 H new ATOM 0 HA LEU A 82 80.452 12.447 -2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 82 77.864 11.385 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 82 77.572 12.820 -1.504 1.00 0.00 H new ATOM 0 HG LEU A 82 79.360 12.793 -3.980 1.00 0.00 H new ATOM 0 HD11 LEU A 82 77.450 13.896 -5.123 1.00 0.00 H new ATOM 0 HD12 LEU A 82 77.007 12.265 -4.567 1.00 0.00 H new ATOM 0 HD13 LEU A 82 76.459 13.694 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 82 79.093 15.256 -3.829 1.00 0.00 H new ATOM 0 HD22 LEU A 82 78.102 15.058 -2.364 1.00 0.00 H new ATOM 0 HD23 LEU A 82 79.821 14.599 -2.344 1.00 0.00 H new ATOM 1332 N ARG A 83 80.183 14.090 -0.145 1.00 0.00 N ATOM 1333 CA ARG A 83 80.233 14.956 1.030 1.00 0.00 C ATOM 1334 C ARG A 83 79.440 16.234 0.773 1.00 0.00 C ATOM 1335 O ARG A 83 78.923 16.853 1.705 1.00 0.00 O ATOM 1336 CB ARG A 83 81.687 15.314 1.359 1.00 0.00 C ATOM 1337 CG ARG A 83 82.261 14.296 2.349 1.00 0.00 C ATOM 1338 CD ARG A 83 82.040 14.789 3.782 1.00 0.00 C ATOM 1339 NE ARG A 83 82.145 13.676 4.720 1.00 0.00 N ATOM 1340 CZ ARG A 83 81.149 12.808 4.869 1.00 0.00 C ATOM 1341 NH1 ARG A 83 79.960 13.229 5.203 1.00 0.00 N ATOM 1342 NH2 ARG A 83 81.361 11.534 4.682 1.00 0.00 N ATOM 0 H ARG A 83 80.626 14.482 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 83 79.794 14.424 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 83 82.284 15.324 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 83 81.737 16.316 1.784 1.00 0.00 H new ATOM 0 HG2 ARG A 83 81.781 13.328 2.209 1.00 0.00 H new ATOM 0 HG3 ARG A 83 83.326 14.154 2.163 1.00 0.00 H new ATOM 0 HD2 ARG A 83 82.777 15.553 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 83 81.058 15.254 3.867 1.00 0.00 H new ATOM 0 HE ARG A 83 82.996 13.562 5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 83 79.794 14.225 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 83 79.196 12.562 5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 83 82.291 11.204 4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 83 80.597 10.868 4.796 1.00 0.00 H new ATOM 1356 N GLY A 84 79.352 16.622 -0.498 1.00 0.00 N ATOM 1357 CA GLY A 84 78.623 17.827 -0.878 1.00 0.00 C ATOM 1358 C GLY A 84 78.488 17.925 -2.395 1.00 0.00 C ATOM 1359 O GLY A 84 77.462 17.545 -2.960 1.00 0.00 O ATOM 0 H GLY A 84 79.775 16.120 -1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 84 77.634 17.818 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.142 18.707 -0.497 1.00 0.00 H new ATOM 1363 N GLY A 85 79.531 18.437 -3.045 1.00 0.00 N ATOM 1364 CA GLY A 85 79.521 18.583 -4.498 1.00 0.00 C ATOM 1365 C GLY A 85 80.170 17.378 -5.173 1.00 0.00 C ATOM 1366 O GLY A 85 80.760 16.527 -4.508 1.00 0.00 O ATOM 0 H GLY A 85 80.388 18.756 -2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 85 78.495 18.692 -4.849 1.00 0.00 H new ATOM 0 HA3 GLY A 85 80.053 19.492 -4.779 1.00 0.00 H new ATOM 1370 N SER A 86 80.054 17.319 -6.500 1.00 0.00 N ATOM 1371 CA SER A 86 80.630 16.220 -7.274 1.00 0.00 C ATOM 1372 C SER A 86 79.907 14.907 -6.974 1.00 0.00 C ATOM 1373 O SER A 86 80.135 14.283 -5.937 1.00 0.00 O ATOM 1374 CB SER A 86 82.122 16.073 -6.962 1.00 0.00 C ATOM 1375 OG SER A 86 82.750 15.348 -8.010 1.00 0.00 O ATOM 0 H SER A 86 79.567 18.019 -7.060 1.00 0.00 H new ATOM 0 HA SER A 86 80.508 16.452 -8.332 1.00 0.00 H new ATOM 0 HB2 SER A 86 82.582 17.056 -6.857 1.00 0.00 H new ATOM 0 HB3 SER A 86 82.258 15.554 -6.013 1.00 0.00 H new ATOM 0 HG SER A 86 83.706 15.253 -7.815 1.00 0.00 H new ATOM 1381 N MET A 87 79.037 14.497 -7.895 1.00 0.00 N ATOM 1382 CA MET A 87 78.284 13.257 -7.729 1.00 0.00 C ATOM 1383 C MET A 87 78.938 12.123 -8.516 1.00 0.00 C ATOM 1384 O MET A 87 79.155 11.033 -7.986 1.00 0.00 O ATOM 1385 CB MET A 87 76.843 13.453 -8.210 1.00 0.00 C ATOM 1386 CG MET A 87 75.970 12.296 -7.713 1.00 0.00 C ATOM 1387 SD MET A 87 74.540 12.957 -6.819 1.00 0.00 S ATOM 1388 CE MET A 87 73.532 13.366 -8.265 1.00 0.00 C ATOM 0 H MET A 87 78.837 15.002 -8.758 1.00 0.00 H new ATOM 0 HA MET A 87 78.281 12.994 -6.671 1.00 0.00 H new ATOM 0 HB2 MET A 87 76.452 14.401 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 87 76.816 13.500 -9.299 1.00 0.00 H new ATOM 0 HG2 MET A 87 75.637 11.690 -8.556 1.00 0.00 H new ATOM 0 HG3 MET A 87 76.550 11.643 -7.061 1.00 0.00 H new ATOM 0 HE1 MET A 87 72.585 13.796 -7.939 1.00 0.00 H new ATOM 0 HE2 MET A 87 74.063 14.087 -8.887 1.00 0.00 H new ATOM 0 HE3 MET A 87 73.340 12.461 -8.842 1.00 0.00 H new ATOM 1398 N GLY A 88 79.248 12.393 -9.783 1.00 0.00 N ATOM 1399 CA GLY A 88 79.876 11.395 -10.643 1.00 0.00 C ATOM 1400 C GLY A 88 78.841 10.715 -11.533 1.00 0.00 C ATOM 1401 O GLY A 88 78.339 11.314 -12.485 1.00 0.00 O ATOM 0 H GLY A 88 79.075 13.291 -10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 88 80.638 11.870 -11.262 1.00 0.00 H new ATOM 0 HA3 GLY A 88 80.382 10.648 -10.031 1.00 0.00 H new ATOM 1405 N GLY A 89 78.528 9.461 -11.216 1.00 0.00 N ATOM 1406 CA GLY A 89 77.551 8.704 -11.993 1.00 0.00 C ATOM 1407 C GLY A 89 77.196 7.400 -11.290 1.00 0.00 C ATOM 1408 O GLY A 89 76.361 7.381 -10.386 1.00 0.00 O ATOM 0 H GLY A 89 78.934 8.951 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 89 76.651 9.302 -12.136 1.00 0.00 H new ATOM 0 HA3 GLY A 89 77.953 8.491 -12.983 1.00 0.00 H new ATOM 1412 N ALA A 90 77.839 6.311 -11.710 1.00 0.00 N ATOM 1413 CA ALA A 90 77.589 5.003 -11.111 1.00 0.00 C ATOM 1414 C ALA A 90 77.837 5.054 -9.606 1.00 0.00 C ATOM 1415 O ALA A 90 77.008 4.606 -8.813 1.00 0.00 O ATOM 1416 CB ALA A 90 78.503 3.953 -11.749 1.00 0.00 C ATOM 0 H ALA A 90 78.532 6.309 -12.458 1.00 0.00 H new ATOM 0 HA ALA A 90 76.549 4.731 -11.289 1.00 0.00 H new ATOM 0 HB1 ALA A 90 78.311 2.980 -11.297 1.00 0.00 H new ATOM 0 HB2 ALA A 90 78.306 3.901 -12.820 1.00 0.00 H new ATOM 0 HB3 ALA A 90 79.545 4.229 -11.585 1.00 0.00 H new ATOM 1422 N ALA A 91 78.983 5.613 -9.225 1.00 0.00 N ATOM 1423 CA ALA A 91 79.339 5.734 -7.816 1.00 0.00 C ATOM 1424 C ALA A 91 78.975 7.122 -7.299 1.00 0.00 C ATOM 1425 O ALA A 91 79.365 8.131 -7.889 1.00 0.00 O ATOM 1426 CB ALA A 91 80.841 5.498 -7.637 1.00 0.00 C ATOM 0 H ALA A 91 79.678 5.988 -9.871 1.00 0.00 H new ATOM 0 HA ALA A 91 78.785 4.986 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 91 81.101 5.590 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 91 81.097 4.498 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A 91 81.397 6.238 -8.213 1.00 0.00 H new ATOM 1432 N ASP A 92 78.226 7.169 -6.199 1.00 0.00 N ATOM 1433 CA ASP A 92 77.817 8.446 -5.618 1.00 0.00 C ATOM 1434 C ASP A 92 78.003 8.433 -4.103 1.00 0.00 C ATOM 1435 O ASP A 92 78.775 9.223 -3.560 1.00 0.00 O ATOM 1436 CB ASP A 92 76.355 8.739 -5.961 1.00 0.00 C ATOM 1437 CG ASP A 92 76.138 8.636 -7.471 1.00 0.00 C ATOM 1438 OD1 ASP A 92 76.826 9.332 -8.201 1.00 0.00 O ATOM 1439 OD2 ASP A 92 75.286 7.862 -7.875 1.00 0.00 O ATOM 0 H ASP A 92 77.893 6.346 -5.696 1.00 0.00 H new ATOM 0 HA ASP A 92 78.446 9.230 -6.039 1.00 0.00 H new ATOM 0 HB2 ASP A 92 75.704 8.035 -5.443 1.00 0.00 H new ATOM 0 HB3 ASP A 92 76.085 9.736 -5.614 1.00 0.00 H new ATOM 1444 N GLU A 93 77.296 7.528 -3.428 1.00 0.00 N ATOM 1445 CA GLU A 93 77.400 7.420 -1.976 1.00 0.00 C ATOM 1446 C GLU A 93 76.903 6.060 -1.510 1.00 0.00 C ATOM 1447 O GLU A 93 77.660 5.277 -0.941 1.00 0.00 O ATOM 1448 CB GLU A 93 76.583 8.530 -1.303 1.00 0.00 C ATOM 1449 CG GLU A 93 76.592 8.337 0.219 1.00 0.00 C ATOM 1450 CD GLU A 93 75.428 7.441 0.650 1.00 0.00 C ATOM 1451 OE1 GLU A 93 74.295 7.797 0.370 1.00 0.00 O ATOM 1452 OE2 GLU A 93 75.688 6.413 1.253 1.00 0.00 O ATOM 0 H GLU A 93 76.651 6.865 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 93 78.448 7.529 -1.695 1.00 0.00 H new ATOM 0 HB2 GLU A 93 77.000 9.505 -1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 93 75.558 8.515 -1.674 1.00 0.00 H new ATOM 0 HG2 GLU A 93 77.537 7.891 0.530 1.00 0.00 H new ATOM 0 HG3 GLU A 93 76.518 9.305 0.715 1.00 0.00 H new ATOM 1459 N GLU A 94 75.627 5.787 -1.749 1.00 0.00 N ATOM 1460 CA GLU A 94 75.044 4.515 -1.349 1.00 0.00 C ATOM 1461 C GLU A 94 75.258 3.485 -2.452 1.00 0.00 C ATOM 1462 O GLU A 94 75.643 2.345 -2.187 1.00 0.00 O ATOM 1463 CB GLU A 94 73.546 4.690 -1.082 1.00 0.00 C ATOM 1464 CG GLU A 94 73.224 4.295 0.364 1.00 0.00 C ATOM 1465 CD GLU A 94 72.236 5.288 0.970 1.00 0.00 C ATOM 1466 OE1 GLU A 94 71.124 5.367 0.474 1.00 0.00 O ATOM 1467 OE2 GLU A 94 72.607 5.958 1.921 1.00 0.00 O ATOM 0 H GLU A 94 74.981 6.424 -2.214 1.00 0.00 H new ATOM 0 HA GLU A 94 75.528 4.169 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 94 73.255 5.725 -1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 94 72.970 4.074 -1.773 1.00 0.00 H new ATOM 0 HG2 GLU A 94 72.804 3.290 0.390 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.139 4.273 0.956 1.00 0.00 H new ATOM 1474 N GLU A 95 74.996 3.902 -3.688 1.00 0.00 N ATOM 1475 CA GLU A 95 75.152 3.016 -4.837 1.00 0.00 C ATOM 1476 C GLU A 95 76.549 2.399 -4.859 1.00 0.00 C ATOM 1477 O GLU A 95 76.691 1.179 -4.844 1.00 0.00 O ATOM 1478 CB GLU A 95 74.891 3.775 -6.146 1.00 0.00 C ATOM 1479 CG GLU A 95 75.341 5.234 -6.019 1.00 0.00 C ATOM 1480 CD GLU A 95 74.181 6.104 -5.539 1.00 0.00 C ATOM 1481 OE1 GLU A 95 73.324 6.417 -6.349 1.00 0.00 O ATOM 1482 OE2 GLU A 95 74.167 6.445 -4.366 1.00 0.00 O ATOM 0 H GLU A 95 74.676 4.843 -3.919 1.00 0.00 H new ATOM 0 HA GLU A 95 74.419 2.214 -4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 95 75.425 3.294 -6.965 1.00 0.00 H new ATOM 0 HB3 GLU A 95 73.830 3.736 -6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 95 76.173 5.306 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 95 75.702 5.596 -6.982 1.00 0.00 H new ATOM 1489 N LEU A 96 77.574 3.248 -4.910 1.00 0.00 N ATOM 1490 CA LEU A 96 78.962 2.786 -4.951 1.00 0.00 C ATOM 1491 C LEU A 96 79.207 1.575 -4.041 1.00 0.00 C ATOM 1492 O LEU A 96 80.075 0.751 -4.325 1.00 0.00 O ATOM 1493 CB LEU A 96 79.909 3.931 -4.559 1.00 0.00 C ATOM 1494 CG LEU A 96 79.382 4.672 -3.329 1.00 0.00 C ATOM 1495 CD1 LEU A 96 79.591 3.817 -2.077 1.00 0.00 C ATOM 1496 CD2 LEU A 96 80.152 5.982 -3.175 1.00 0.00 C ATOM 0 H LEU A 96 77.470 4.263 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 96 79.163 2.469 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 96 80.902 3.533 -4.352 1.00 0.00 H new ATOM 0 HB3 LEU A 96 80.011 4.626 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 96 78.318 4.872 -3.453 1.00 0.00 H new ATOM 0 HD11 LEU A 96 79.214 4.351 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 96 79.054 2.875 -2.186 1.00 0.00 H new ATOM 0 HD13 LEU A 96 80.654 3.616 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 96 79.785 6.519 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 96 81.213 5.768 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 96 80.008 6.595 -4.065 1.00 0.00 H new ATOM 1508 N ILE A 97 78.444 1.468 -2.952 1.00 0.00 N ATOM 1509 CA ILE A 97 78.610 0.346 -2.028 1.00 0.00 C ATOM 1510 C ILE A 97 77.813 -0.862 -2.512 1.00 0.00 C ATOM 1511 O ILE A 97 78.392 -1.903 -2.830 1.00 0.00 O ATOM 1512 CB ILE A 97 78.173 0.755 -0.611 1.00 0.00 C ATOM 1513 CG1 ILE A 97 79.374 1.356 0.133 1.00 0.00 C ATOM 1514 CG2 ILE A 97 77.663 -0.468 0.164 1.00 0.00 C ATOM 1515 CD1 ILE A 97 78.927 2.584 0.928 1.00 0.00 C ATOM 0 H ILE A 97 77.716 2.133 -2.691 1.00 0.00 H new ATOM 0 HA ILE A 97 79.664 0.070 -1.996 1.00 0.00 H new ATOM 0 HB ILE A 97 77.370 1.489 -0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 97 79.806 0.614 0.804 1.00 0.00 H new ATOM 0 HG13 ILE A 97 80.152 1.635 -0.578 1.00 0.00 H new ATOM 0 HG21 ILE A 97 77.357 -0.163 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 97 76.811 -0.901 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 97 78.458 -1.210 0.238 1.00 0.00 H new ATOM 0 HD11 ILE A 97 79.782 3.008 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 97 78.515 3.329 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 97 78.164 2.292 1.650 1.00 0.00 H new ATOM 1527 N ARG A 98 76.490 -0.723 -2.577 1.00 0.00 N ATOM 1528 CA ARG A 98 75.645 -1.822 -3.037 1.00 0.00 C ATOM 1529 C ARG A 98 76.091 -2.273 -4.423 1.00 0.00 C ATOM 1530 O ARG A 98 76.010 -3.455 -4.758 1.00 0.00 O ATOM 1531 CB ARG A 98 74.176 -1.390 -3.073 1.00 0.00 C ATOM 1532 CG ARG A 98 74.006 -0.202 -4.022 1.00 0.00 C ATOM 1533 CD ARG A 98 72.595 0.375 -3.879 1.00 0.00 C ATOM 1534 NE ARG A 98 72.636 1.639 -3.150 1.00 0.00 N ATOM 1535 CZ ARG A 98 71.717 2.579 -3.350 1.00 0.00 C ATOM 1536 NH1 ARG A 98 70.551 2.485 -2.772 1.00 0.00 N ATOM 1537 NH2 ARG A 98 71.983 3.598 -4.121 1.00 0.00 N ATOM 0 H ARG A 98 75.986 0.126 -2.321 1.00 0.00 H new ATOM 0 HA ARG A 98 75.744 -2.655 -2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 98 73.551 -2.221 -3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 98 73.843 -1.117 -2.071 1.00 0.00 H new ATOM 0 HG2 ARG A 98 74.747 0.565 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 98 74.177 -0.519 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 98 72.157 0.530 -4.865 1.00 0.00 H new ATOM 0 HD3 ARG A 98 71.956 -0.335 -3.354 1.00 0.00 H new ATOM 0 HE ARG A 98 73.383 1.804 -2.475 1.00 0.00 H new ATOM 0 HH11 ARG A 98 70.344 1.690 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 98 69.846 3.206 -2.925 1.00 0.00 H new ATOM 0 HH21 ARG A 98 72.896 3.673 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 98 71.278 4.319 -4.274 1.00 0.00 H new ATOM 1551 N LYS A 99 76.583 -1.324 -5.216 1.00 0.00 N ATOM 1552 CA LYS A 99 77.064 -1.630 -6.555 1.00 0.00 C ATOM 1553 C LYS A 99 78.303 -2.507 -6.458 1.00 0.00 C ATOM 1554 O LYS A 99 78.263 -3.689 -6.791 1.00 0.00 O ATOM 1555 CB LYS A 99 77.415 -0.336 -7.296 1.00 0.00 C ATOM 1556 CG LYS A 99 76.148 0.481 -7.555 1.00 0.00 C ATOM 1557 CD LYS A 99 75.890 0.564 -9.060 1.00 0.00 C ATOM 1558 CE LYS A 99 76.939 1.466 -9.716 1.00 0.00 C ATOM 1559 NZ LYS A 99 77.732 0.673 -10.697 1.00 0.00 N ATOM 0 H LYS A 99 76.658 -0.341 -4.953 1.00 0.00 H new ATOM 0 HA LYS A 99 76.282 -2.155 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 99 78.121 0.250 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 99 77.906 -0.570 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 99 75.297 0.019 -7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 99 76.257 1.482 -7.139 1.00 0.00 H new ATOM 0 HD2 LYS A 99 75.927 -0.432 -9.500 1.00 0.00 H new ATOM 0 HD3 LYS A 99 74.891 0.958 -9.246 1.00 0.00 H new ATOM 0 HE2 LYS A 99 76.452 2.303 -10.217 1.00 0.00 H new ATOM 0 HE3 LYS A 99 77.597 1.888 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 78.699 1.052 -10.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 77.765 -0.321 -10.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 77.286 0.734 -11.634 1.00 0.00 H new ATOM 1573 N ALA A 100 79.409 -1.905 -6.014 1.00 0.00 N ATOM 1574 CA ALA A 100 80.681 -2.612 -5.877 1.00 0.00 C ATOM 1575 C ALA A 100 80.488 -4.036 -5.360 1.00 0.00 C ATOM 1576 O ALA A 100 81.276 -4.927 -5.676 1.00 0.00 O ATOM 1577 CB ALA A 100 81.591 -1.843 -4.915 1.00 0.00 C ATOM 0 H ALA A 100 79.447 -0.923 -5.742 1.00 0.00 H new ATOM 0 HA ALA A 100 81.137 -2.672 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 100 82.540 -2.370 -4.812 1.00 0.00 H new ATOM 0 HB2 ALA A 100 81.772 -0.842 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 100 81.110 -1.769 -3.940 1.00 0.00 H new ATOM 1583 N ILE A 101 79.438 -4.245 -4.570 1.00 0.00 N ATOM 1584 CA ILE A 101 79.160 -5.567 -4.024 1.00 0.00 C ATOM 1585 C ILE A 101 78.540 -6.478 -5.089 1.00 0.00 C ATOM 1586 O ILE A 101 78.844 -7.665 -5.159 1.00 0.00 O ATOM 1587 CB ILE A 101 78.212 -5.449 -2.825 1.00 0.00 C ATOM 1588 CG1 ILE A 101 78.946 -4.762 -1.666 1.00 0.00 C ATOM 1589 CG2 ILE A 101 77.758 -6.846 -2.388 1.00 0.00 C ATOM 1590 CD1 ILE A 101 77.937 -4.295 -0.613 1.00 0.00 C ATOM 0 H ILE A 101 78.772 -3.522 -4.297 1.00 0.00 H new ATOM 0 HA ILE A 101 80.102 -6.008 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 101 77.339 -4.860 -3.107 1.00 0.00 H new ATOM 0 HG12 ILE A 101 79.660 -5.452 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 101 79.516 -3.911 -2.039 1.00 0.00 H new ATOM 0 HG21 ILE A 101 77.084 -6.760 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 101 77.239 -7.334 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 101 78.628 -7.439 -2.104 1.00 0.00 H new ATOM 0 HD11 ILE A 101 78.466 -3.808 0.207 1.00 0.00 H new ATOM 0 HD12 ILE A 101 77.240 -3.590 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 101 77.387 -5.154 -0.230 1.00 0.00 H new ATOM 1602 N GLU A 102 77.639 -5.923 -5.893 1.00 0.00 N ATOM 1603 CA GLU A 102 76.951 -6.702 -6.922 1.00 0.00 C ATOM 1604 C GLU A 102 77.739 -6.793 -8.239 1.00 0.00 C ATOM 1605 O GLU A 102 77.476 -7.686 -9.048 1.00 0.00 O ATOM 1606 CB GLU A 102 75.580 -6.073 -7.202 1.00 0.00 C ATOM 1607 CG GLU A 102 74.485 -6.862 -6.475 1.00 0.00 C ATOM 1608 CD GLU A 102 74.592 -6.648 -4.967 1.00 0.00 C ATOM 1609 OE1 GLU A 102 74.287 -5.555 -4.520 1.00 0.00 O ATOM 1610 OE2 GLU A 102 74.974 -7.581 -4.282 1.00 0.00 O ATOM 0 H GLU A 102 77.367 -4.941 -5.854 1.00 0.00 H new ATOM 0 HA GLU A 102 76.848 -7.716 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 102 75.572 -5.034 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 102 75.385 -6.067 -8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 102 73.503 -6.543 -6.826 1.00 0.00 H new ATOM 0 HG3 GLU A 102 74.577 -7.923 -6.706 1.00 0.00 H new ATOM 1617 N LEU A 103 78.672 -5.869 -8.478 1.00 0.00 N ATOM 1618 CA LEU A 103 79.429 -5.891 -9.739 1.00 0.00 C ATOM 1619 C LEU A 103 80.800 -6.575 -9.632 1.00 0.00 C ATOM 1620 O LEU A 103 81.019 -7.622 -10.243 1.00 0.00 O ATOM 1621 CB LEU A 103 79.593 -4.471 -10.308 1.00 0.00 C ATOM 1622 CG LEU A 103 80.165 -3.517 -9.251 1.00 0.00 C ATOM 1623 CD1 LEU A 103 81.617 -3.169 -9.592 1.00 0.00 C ATOM 1624 CD2 LEU A 103 79.337 -2.230 -9.237 1.00 0.00 C ATOM 0 H LEU A 103 78.920 -5.115 -7.838 1.00 0.00 H new ATOM 0 HA LEU A 103 78.834 -6.496 -10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 103 80.253 -4.497 -11.175 1.00 0.00 H new ATOM 0 HB3 LEU A 103 78.628 -4.100 -10.653 1.00 0.00 H new ATOM 0 HG LEU A 103 80.128 -4.000 -8.275 1.00 0.00 H new ATOM 0 HD11 LEU A 103 82.016 -2.491 -8.837 1.00 0.00 H new ATOM 0 HD12 LEU A 103 82.214 -4.081 -9.613 1.00 0.00 H new ATOM 0 HD13 LEU A 103 81.656 -2.687 -10.569 1.00 0.00 H new ATOM 0 HD21 LEU A 103 79.738 -1.547 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 103 79.381 -1.758 -10.219 1.00 0.00 H new ATOM 0 HD23 LEU A 103 78.301 -2.467 -8.995 1.00 0.00 H new ATOM 1636 N SER A 104 81.733 -5.959 -8.905 1.00 0.00 N ATOM 1637 CA SER A 104 83.094 -6.499 -8.791 1.00 0.00 C ATOM 1638 C SER A 104 83.227 -7.556 -7.698 1.00 0.00 C ATOM 1639 O SER A 104 84.248 -8.241 -7.619 1.00 0.00 O ATOM 1640 CB SER A 104 84.075 -5.360 -8.509 1.00 0.00 C ATOM 1641 OG SER A 104 84.321 -4.643 -9.712 1.00 0.00 O ATOM 0 H SER A 104 81.576 -5.093 -8.389 1.00 0.00 H new ATOM 0 HA SER A 104 83.323 -6.983 -9.740 1.00 0.00 H new ATOM 0 HB2 SER A 104 83.666 -4.692 -7.751 1.00 0.00 H new ATOM 0 HB3 SER A 104 85.009 -5.759 -8.112 1.00 0.00 H new ATOM 0 HG SER A 104 84.948 -3.911 -9.534 1.00 0.00 H new ATOM 1647 N LEU A 105 82.215 -7.683 -6.854 1.00 0.00 N ATOM 1648 CA LEU A 105 82.264 -8.659 -5.770 1.00 0.00 C ATOM 1649 C LEU A 105 81.725 -10.012 -6.225 1.00 0.00 C ATOM 1650 O LEU A 105 82.271 -11.057 -5.870 1.00 0.00 O ATOM 1651 CB LEU A 105 81.441 -8.149 -4.592 1.00 0.00 C ATOM 1652 CG LEU A 105 82.242 -8.263 -3.295 1.00 0.00 C ATOM 1653 CD1 LEU A 105 82.652 -9.721 -3.066 1.00 0.00 C ATOM 1654 CD2 LEU A 105 83.492 -7.378 -3.375 1.00 0.00 C ATOM 0 H LEU A 105 81.358 -7.131 -6.895 1.00 0.00 H new ATOM 0 HA LEU A 105 83.303 -8.790 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.156 -7.111 -4.761 1.00 0.00 H new ATOM 0 HB3 LEU A 105 80.518 -8.723 -4.509 1.00 0.00 H new ATOM 0 HG LEU A 105 81.623 -7.930 -2.462 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.223 -9.797 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 105 81.760 -10.343 -2.995 1.00 0.00 H new ATOM 0 HD13 LEU A 105 83.266 -10.062 -3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 105 84.058 -7.464 -2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 105 84.113 -7.700 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.194 -6.340 -3.524 1.00 0.00 H new ATOM 1666 N LYS A 106 80.659 -9.986 -7.019 1.00 0.00 N ATOM 1667 CA LYS A 106 80.063 -11.221 -7.520 1.00 0.00 C ATOM 1668 C LYS A 106 80.937 -11.812 -8.617 1.00 0.00 C ATOM 1669 O LYS A 106 80.761 -12.963 -9.021 1.00 0.00 O ATOM 1670 CB LYS A 106 78.657 -10.948 -8.064 1.00 0.00 C ATOM 1671 CG LYS A 106 77.872 -10.094 -7.062 1.00 0.00 C ATOM 1672 CD LYS A 106 78.130 -10.599 -5.637 1.00 0.00 C ATOM 1673 CE LYS A 106 77.019 -10.111 -4.704 1.00 0.00 C ATOM 1674 NZ LYS A 106 77.391 -10.408 -3.291 1.00 0.00 N ATOM 0 H LYS A 106 80.193 -9.132 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 106 79.990 -11.934 -6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 106 78.721 -10.434 -9.023 1.00 0.00 H new ATOM 0 HB3 LYS A 106 78.136 -11.889 -8.241 1.00 0.00 H new ATOM 0 HG2 LYS A 106 78.171 -9.049 -7.147 1.00 0.00 H new ATOM 0 HG3 LYS A 106 76.806 -10.140 -7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 106 78.171 -11.688 -5.629 1.00 0.00 H new ATOM 0 HD3 LYS A 106 79.097 -10.241 -5.284 1.00 0.00 H new ATOM 0 HE2 LYS A 106 76.865 -9.040 -4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 106 76.078 -10.601 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 76.637 -10.077 -2.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 77.517 -11.434 -3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 78.279 -9.921 -3.056 1.00 0.00 H new ATOM 1688 N GLU A 107 81.886 -11.010 -9.084 1.00 0.00 N ATOM 1689 CA GLU A 107 82.805 -11.438 -10.126 1.00 0.00 C ATOM 1690 C GLU A 107 84.051 -12.060 -9.503 1.00 0.00 C ATOM 1691 O GLU A 107 84.770 -12.818 -10.153 1.00 0.00 O ATOM 1692 CB GLU A 107 83.196 -10.233 -10.982 1.00 0.00 C ATOM 1693 CG GLU A 107 83.062 -10.587 -12.467 1.00 0.00 C ATOM 1694 CD GLU A 107 81.589 -10.773 -12.830 1.00 0.00 C ATOM 1695 OE1 GLU A 107 80.870 -9.787 -12.830 1.00 0.00 O ATOM 1696 OE2 GLU A 107 81.202 -11.898 -13.101 1.00 0.00 O ATOM 0 H GLU A 107 82.038 -10.057 -8.755 1.00 0.00 H new ATOM 0 HA GLU A 107 82.317 -12.185 -10.752 1.00 0.00 H new ATOM 0 HB2 GLU A 107 82.558 -9.382 -10.742 1.00 0.00 H new ATOM 0 HB3 GLU A 107 84.221 -9.935 -10.761 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.499 -9.797 -13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.616 -11.500 -12.683 1.00 0.00 H new ATOM 1703 N SER A 108 84.291 -11.729 -8.236 1.00 0.00 N ATOM 1704 CA SER A 108 85.443 -12.253 -7.512 1.00 0.00 C ATOM 1705 C SER A 108 85.053 -13.501 -6.725 1.00 0.00 C ATOM 1706 O SER A 108 85.853 -14.424 -6.568 1.00 0.00 O ATOM 1707 CB SER A 108 85.983 -11.188 -6.554 1.00 0.00 C ATOM 1708 OG SER A 108 87.152 -11.681 -5.912 1.00 0.00 O ATOM 0 H SER A 108 83.702 -11.100 -7.691 1.00 0.00 H new ATOM 0 HA SER A 108 86.217 -12.518 -8.232 1.00 0.00 H new ATOM 0 HB2 SER A 108 86.213 -10.274 -7.101 1.00 0.00 H new ATOM 0 HB3 SER A 108 85.227 -10.933 -5.812 1.00 0.00 H new ATOM 0 HG SER A 108 87.750 -10.933 -5.702 1.00 0.00 H new ATOM 1714 N ARG A 109 83.814 -13.519 -6.236 1.00 0.00 N ATOM 1715 CA ARG A 109 83.314 -14.656 -5.466 1.00 0.00 C ATOM 1716 C ARG A 109 83.092 -15.865 -6.373 1.00 0.00 C ATOM 1717 O ARG A 109 82.795 -16.962 -5.898 1.00 0.00 O ATOM 1718 CB ARG A 109 81.995 -14.285 -4.780 1.00 0.00 C ATOM 1719 CG ARG A 109 82.226 -13.132 -3.796 1.00 0.00 C ATOM 1720 CD ARG A 109 82.474 -13.692 -2.393 1.00 0.00 C ATOM 1721 NE ARG A 109 82.730 -12.603 -1.455 1.00 0.00 N ATOM 1722 CZ ARG A 109 81.775 -12.152 -0.645 1.00 0.00 C ATOM 1723 NH1 ARG A 109 80.845 -11.362 -1.109 1.00 0.00 N ATOM 1724 NH2 ARG A 109 81.767 -12.499 0.612 1.00 0.00 N ATOM 0 H ARG A 109 83.141 -12.763 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 109 84.058 -14.912 -4.712 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.256 -13.995 -5.527 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.593 -15.150 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 109 83.080 -12.534 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 109 81.360 -12.471 -3.786 1.00 0.00 H new ATOM 0 HD2 ARG A 109 81.609 -14.269 -2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 109 83.324 -14.374 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 109 83.658 -12.180 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 109 80.850 -11.090 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 109 80.113 -11.016 -0.488 1.00 0.00 H new ATOM 0 HH21 ARG A 109 82.493 -13.117 0.975 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.035 -12.153 1.232 1.00 0.00 H new ATOM 1738 N ASN A 110 83.241 -15.655 -7.679 1.00 0.00 N ATOM 1739 CA ASN A 110 83.057 -16.730 -8.651 1.00 0.00 C ATOM 1740 C ASN A 110 84.050 -17.863 -8.398 1.00 0.00 C ATOM 1741 O ASN A 110 83.778 -19.022 -8.715 1.00 0.00 O ATOM 1742 CB ASN A 110 83.240 -16.183 -10.072 1.00 0.00 C ATOM 1743 CG ASN A 110 84.714 -15.890 -10.347 1.00 0.00 C ATOM 1744 OD1 ASN A 110 85.217 -16.200 -11.427 1.00 0.00 O ATOM 1745 ND2 ASN A 110 85.441 -15.305 -9.433 1.00 0.00 N ATOM 0 H ASN A 110 83.488 -14.754 -8.088 1.00 0.00 H new ATOM 0 HA ASN A 110 82.047 -17.126 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 110 82.865 -16.905 -10.797 1.00 0.00 H new ATOM 0 HB3 ASN A 110 82.653 -15.273 -10.196 1.00 0.00 H new ATOM 0 HD21 ASN A 110 86.425 -15.105 -9.614 1.00 0.00 H new ATOM 0 HD22 ASN A 110 85.025 -15.048 -8.538 1.00 0.00 H new ATOM 1752 N SER A 111 85.201 -17.517 -7.822 1.00 0.00 N ATOM 1753 CA SER A 111 86.231 -18.508 -7.524 1.00 0.00 C ATOM 1754 C SER A 111 85.794 -19.410 -6.372 1.00 0.00 C ATOM 1755 O SER A 111 86.409 -20.447 -6.115 1.00 0.00 O ATOM 1756 CB SER A 111 87.540 -17.804 -7.157 1.00 0.00 C ATOM 1757 OG SER A 111 88.592 -18.760 -7.119 1.00 0.00 O ATOM 0 H SER A 111 85.442 -16.563 -7.554 1.00 0.00 H new ATOM 0 HA SER A 111 86.384 -19.123 -8.411 1.00 0.00 H new ATOM 0 HB2 SER A 111 87.766 -17.027 -7.887 1.00 0.00 H new ATOM 0 HB3 SER A 111 87.444 -17.313 -6.188 1.00 0.00 H new ATOM 0 HG SER A 111 88.233 -19.630 -6.846 1.00 0.00 H new ATOM 1763 N GLY A 112 84.727 -19.007 -5.684 1.00 0.00 N ATOM 1764 CA GLY A 112 84.208 -19.782 -4.561 1.00 0.00 C ATOM 1765 C GLY A 112 83.810 -21.188 -5.004 1.00 0.00 C ATOM 1766 O GLY A 112 83.758 -22.111 -4.192 1.00 0.00 O ATOM 0 H GLY A 112 84.208 -18.152 -5.884 1.00 0.00 H new ATOM 0 HA2 GLY A 112 84.963 -19.844 -3.777 1.00 0.00 H new ATOM 0 HA3 GLY A 112 83.344 -19.274 -4.132 1.00 0.00 H new ATOM 1770 N GLY A 113 83.536 -21.339 -6.299 1.00 0.00 N ATOM 1771 CA GLY A 113 83.147 -22.635 -6.848 1.00 0.00 C ATOM 1772 C GLY A 113 84.217 -23.686 -6.569 1.00 0.00 C ATOM 1773 O GLY A 113 83.906 -24.844 -6.288 1.00 0.00 O ATOM 0 H GLY A 113 83.576 -20.584 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 113 82.199 -22.950 -6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 113 82.989 -22.547 -7.923 1.00 0.00 H new ATOM 1777 N TYR A 114 85.480 -23.268 -6.641 1.00 0.00 N ATOM 1778 CA TYR A 114 86.596 -24.175 -6.389 1.00 0.00 C ATOM 1779 C TYR A 114 86.695 -24.500 -4.900 1.00 0.00 C ATOM 1780 O TYR A 114 87.017 -25.631 -4.581 1.00 0.00 O ATOM 1781 CB TYR A 114 87.906 -23.537 -6.862 1.00 0.00 C ATOM 1782 CG TYR A 114 88.183 -23.946 -8.291 1.00 0.00 C ATOM 1783 CD1 TYR A 114 88.912 -25.111 -8.557 1.00 0.00 C ATOM 1784 CD2 TYR A 114 87.712 -23.158 -9.348 1.00 0.00 C ATOM 1785 CE1 TYR A 114 89.169 -25.489 -9.879 1.00 0.00 C ATOM 1786 CE2 TYR A 114 87.969 -23.536 -10.670 1.00 0.00 C ATOM 1787 CZ TYR A 114 88.698 -24.702 -10.936 1.00 0.00 C ATOM 1788 OH TYR A 114 88.953 -25.074 -12.240 1.00 0.00 O ATOM 1789 OXT TYR A 114 86.448 -23.609 -4.101 1.00 0.00 O ATOM 0 H TYR A 114 85.754 -22.313 -6.870 1.00 0.00 H new ATOM 0 HA TYR A 114 86.422 -25.098 -6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 114 87.840 -22.451 -6.790 1.00 0.00 H new ATOM 0 HB3 TYR A 114 88.728 -23.850 -6.218 1.00 0.00 H new ATOM 0 HD1 TYR A 114 89.276 -25.718 -7.741 1.00 0.00 H new ATOM 0 HD2 TYR A 114 87.150 -22.259 -9.143 1.00 0.00 H new ATOM 0 HE1 TYR A 114 89.731 -26.388 -10.084 1.00 0.00 H new ATOM 0 HE2 TYR A 114 87.605 -22.929 -11.486 1.00 0.00 H new ATOM 0 HH TYR A 114 88.555 -24.419 -12.851 1.00 0.00 H new TER 1799 TYR A 114