USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 680 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 44 GLN : amide:sc= -2.36! K(o=-3.5!,f=-4.6) USER MOD Set 1.2: B 44 GLN : amide:sc= -1.17 K(o=-3.5,f=-4.4) USER MOD Set 2.1: B 12 CYS SG : rot 160:sc= 0 USER MOD Set 2.2: B 40 CYS SG : rot 180:sc= 0.0043 USER MOD Set 2.3: B 43 CYS SG : rot 180:sc= 0 USER MOD Set 3.1: A 12 CYS SG : rot 160:sc= 0 USER MOD Set 3.2: A 40 CYS SG : rot 180:sc= 0.00457 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 PHE N :NH3+ 152:sc= 0.962 (180deg=0.346) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.0335 K(o=-0.034,f=-1.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -14:sc= 0.0927 USER MOD Single : A 16 HIS : no HD1:sc= -1.4 X(o=-1.4,f=-1.7) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.032 K(o=-0.032,f=-1.7!) USER MOD Single : A 22 MET CE :methyl 158:sc= -0.278 (180deg=-1.59!) USER MOD Single : A 24 SER OG : rot 78:sc= 0.0246 USER MOD Single : A 27 ASN :FLIP amide:sc= -1.02 F(o=-3.4!,f=-1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 117:sc= 0.39 USER MOD Single : A 42 LYS NZ :NH3+ -161:sc=-0.000972 (180deg=-0.553) USER MOD Single : B 1 PHE N :NH3+ 150:sc= 0.984 (180deg=0.352) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.0168 K(o=-0.017,f=-1.4!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot -16:sc= 0.0946 USER MOD Single : B 16 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0179 K(o=-0.018,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 151:sc= -0.352 (180deg=-1.47!) USER MOD Single : B 24 SER OG : rot 76:sc= 0.02 USER MOD Single : B 27 ASN :FLIP amide:sc= -1.02 F(o=-3.5!,f=-1) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 118:sc= 0.369 USER MOD Single : B 42 LYS NZ :NH3+ -157:sc= -0.0141 (180deg=-0.679) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 95.626 -4.730 23.706 1.00 0.00 N ATOM 2 CA PHE A 1 95.204 -4.026 24.951 1.00 0.00 C ATOM 3 C PHE A 1 95.305 -2.521 24.725 1.00 0.00 C ATOM 4 O PHE A 1 96.380 -1.959 24.649 1.00 0.00 O ATOM 5 CB PHE A 1 96.115 -4.452 26.101 1.00 0.00 C ATOM 6 CG PHE A 1 96.255 -5.959 26.081 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.162 -6.770 26.416 1.00 0.00 C ATOM 8 CD2 PHE A 1 97.474 -6.548 25.718 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.288 -8.164 26.389 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.598 -7.943 25.690 1.00 0.00 C ATOM 11 CZ PHE A 1 96.505 -8.750 26.027 1.00 0.00 C ATOM 0 H1 PHE A 1 96.015 -5.663 23.950 1.00 0.00 H new ATOM 0 H2 PHE A 1 94.805 -4.850 23.080 1.00 0.00 H new ATOM 0 H3 PHE A 1 96.354 -4.168 23.219 1.00 0.00 H new ATOM 0 HA PHE A 1 94.175 -4.283 25.202 1.00 0.00 H new ATOM 0 HB2 PHE A 1 97.093 -3.981 26.002 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.698 -4.124 27.054 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.221 -6.319 26.695 1.00 0.00 H new ATOM 0 HD2 PHE A 1 98.318 -5.926 25.460 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.445 -8.787 26.648 1.00 0.00 H new ATOM 0 HE2 PHE A 1 98.537 -8.396 25.408 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.602 -9.825 26.007 1.00 0.00 H new ATOM 23 N LEU A 2 94.181 -1.866 24.589 1.00 0.00 N ATOM 24 CA LEU A 2 94.184 -0.395 24.335 1.00 0.00 C ATOM 25 C LEU A 2 94.011 0.380 25.634 1.00 0.00 C ATOM 26 O LEU A 2 93.247 0.014 26.495 1.00 0.00 O ATOM 27 CB LEU A 2 93.038 -0.044 23.381 1.00 0.00 C ATOM 28 CG LEU A 2 93.183 -0.829 22.069 1.00 0.00 C ATOM 29 CD1 LEU A 2 91.976 -0.536 21.173 1.00 0.00 C ATOM 30 CD2 LEU A 2 94.475 -0.416 21.343 1.00 0.00 C ATOM 0 H LEU A 2 93.255 -2.290 24.643 1.00 0.00 H new ATOM 0 HA LEU A 2 95.141 -0.121 23.891 1.00 0.00 H new ATOM 0 HB2 LEU A 2 92.081 -0.276 23.849 1.00 0.00 H new ATOM 0 HB3 LEU A 2 93.041 1.026 23.175 1.00 0.00 H new ATOM 0 HG LEU A 2 93.230 -1.895 22.291 1.00 0.00 H new ATOM 0 HD11 LEU A 2 92.073 -1.090 20.240 1.00 0.00 H new ATOM 0 HD12 LEU A 2 91.062 -0.840 21.683 1.00 0.00 H new ATOM 0 HD13 LEU A 2 91.933 0.532 20.958 1.00 0.00 H new ATOM 0 HD21 LEU A 2 94.567 -0.979 20.414 1.00 0.00 H new ATOM 0 HD22 LEU A 2 94.441 0.650 21.119 1.00 0.00 H new ATOM 0 HD23 LEU A 2 95.334 -0.626 21.981 1.00 0.00 H new ATOM 42 N ASP A 3 94.715 1.467 25.764 1.00 0.00 N ATOM 43 CA ASP A 3 94.592 2.297 26.992 1.00 0.00 C ATOM 44 C ASP A 3 93.143 2.765 27.120 1.00 0.00 C ATOM 45 O ASP A 3 92.589 2.818 28.200 1.00 0.00 O ATOM 46 CB ASP A 3 95.527 3.503 26.896 1.00 0.00 C ATOM 47 CG ASP A 3 96.978 3.030 27.007 1.00 0.00 C ATOM 48 OD1 ASP A 3 97.186 1.938 27.508 1.00 0.00 O ATOM 49 OD2 ASP A 3 97.856 3.768 26.590 1.00 0.00 O ATOM 0 H ASP A 3 95.374 1.818 25.069 1.00 0.00 H new ATOM 0 HA ASP A 3 94.869 1.712 27.869 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.373 4.022 25.950 1.00 0.00 H new ATOM 0 HB3 ASP A 3 95.303 4.215 27.690 1.00 0.00 H new ATOM 54 N GLY A 4 92.519 3.098 26.020 1.00 0.00 N ATOM 55 CA GLY A 4 91.097 3.552 26.075 1.00 0.00 C ATOM 56 C GLY A 4 90.291 2.560 26.915 1.00 0.00 C ATOM 57 O GLY A 4 89.187 2.838 27.338 1.00 0.00 O ATOM 0 H GLY A 4 92.932 3.075 25.087 1.00 0.00 H new ATOM 0 HA2 GLY A 4 91.037 4.550 26.510 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.683 3.617 25.069 1.00 0.00 H new ATOM 61 N ILE A 5 90.850 1.409 27.172 1.00 0.00 N ATOM 62 CA ILE A 5 90.142 0.399 28.002 1.00 0.00 C ATOM 63 C ILE A 5 89.863 0.997 29.381 1.00 0.00 C ATOM 64 O ILE A 5 88.807 0.806 29.949 1.00 0.00 O ATOM 65 CB ILE A 5 91.000 -0.868 28.106 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.969 -1.595 26.761 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.448 -1.790 29.197 1.00 0.00 C ATOM 68 CD1 ILE A 5 92.038 -2.692 26.743 1.00 0.00 C ATOM 0 H ILE A 5 91.772 1.125 26.840 1.00 0.00 H new ATOM 0 HA ILE A 5 89.191 0.127 27.543 1.00 0.00 H new ATOM 0 HB ILE A 5 92.024 -0.594 28.362 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.984 -2.031 26.595 1.00 0.00 H new ATOM 0 HG13 ILE A 5 91.146 -0.888 25.950 1.00 0.00 H new ATOM 0 HG21 ILE A 5 91.065 -2.686 29.262 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.462 -1.270 30.155 1.00 0.00 H new ATOM 0 HG23 ILE A 5 89.424 -2.071 28.952 1.00 0.00 H new ATOM 0 HD11 ILE A 5 92.013 -3.208 25.783 1.00 0.00 H new ATOM 0 HD12 ILE A 5 93.021 -2.244 26.889 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.841 -3.405 27.544 1.00 0.00 H new ATOM 80 N ASP A 6 90.790 1.741 29.917 1.00 0.00 N ATOM 81 CA ASP A 6 90.554 2.365 31.246 1.00 0.00 C ATOM 82 C ASP A 6 89.330 3.276 31.133 1.00 0.00 C ATOM 83 O ASP A 6 88.512 3.351 32.027 1.00 0.00 O ATOM 84 CB ASP A 6 91.777 3.189 31.660 1.00 0.00 C ATOM 85 CG ASP A 6 92.941 2.250 31.984 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.694 1.067 32.145 1.00 0.00 O ATOM 87 OD2 ASP A 6 94.059 2.731 32.066 1.00 0.00 O ATOM 0 H ASP A 6 91.696 1.943 29.494 1.00 0.00 H new ATOM 0 HA ASP A 6 90.384 1.595 31.998 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.058 3.870 30.857 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.538 3.802 32.529 1.00 0.00 H new ATOM 92 N LYS A 7 89.193 3.958 30.030 1.00 0.00 N ATOM 93 CA LYS A 7 88.014 4.849 29.843 1.00 0.00 C ATOM 94 C LYS A 7 86.745 3.994 29.826 1.00 0.00 C ATOM 95 O LYS A 7 85.718 4.374 30.353 1.00 0.00 O ATOM 96 CB LYS A 7 88.141 5.604 28.517 1.00 0.00 C ATOM 97 CG LYS A 7 86.994 6.610 28.394 1.00 0.00 C ATOM 98 CD LYS A 7 87.115 7.375 27.075 1.00 0.00 C ATOM 99 CE LYS A 7 85.977 8.393 26.970 1.00 0.00 C ATOM 100 NZ LYS A 7 86.082 9.128 25.678 1.00 0.00 N ATOM 0 H LYS A 7 89.848 3.937 29.248 1.00 0.00 H new ATOM 0 HA LYS A 7 87.965 5.570 30.659 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.100 6.121 28.470 1.00 0.00 H new ATOM 0 HB3 LYS A 7 88.116 4.903 27.683 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.037 6.091 28.437 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.017 7.306 29.232 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.078 7.883 27.024 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.076 6.682 26.235 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.014 7.886 27.034 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.024 9.094 27.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 85.308 9.819 25.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 86.995 9.624 25.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.016 8.454 24.889 1.00 0.00 H new ATOM 114 N ALA A 8 86.809 2.839 29.220 1.00 0.00 N ATOM 115 CA ALA A 8 85.612 1.955 29.162 1.00 0.00 C ATOM 116 C ALA A 8 85.155 1.617 30.584 1.00 0.00 C ATOM 117 O ALA A 8 83.979 1.471 30.846 1.00 0.00 O ATOM 118 CB ALA A 8 85.969 0.666 28.420 1.00 0.00 C ATOM 0 H ALA A 8 87.642 2.470 28.762 1.00 0.00 H new ATOM 0 HA ALA A 8 84.806 2.467 28.636 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.094 0.017 28.376 1.00 0.00 H new ATOM 0 HB2 ALA A 8 86.293 0.907 27.408 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.774 0.154 28.947 1.00 0.00 H new ATOM 124 N GLN A 9 86.073 1.494 31.506 1.00 0.00 N ATOM 125 CA GLN A 9 85.673 1.167 32.905 1.00 0.00 C ATOM 126 C GLN A 9 84.750 2.271 33.428 1.00 0.00 C ATOM 127 O GLN A 9 83.769 2.014 34.096 1.00 0.00 O ATOM 128 CB GLN A 9 86.918 1.102 33.796 1.00 0.00 C ATOM 129 CG GLN A 9 87.752 -0.132 33.441 1.00 0.00 C ATOM 130 CD GLN A 9 89.087 -0.074 34.187 1.00 0.00 C ATOM 131 OE1 GLN A 9 89.641 0.989 34.384 1.00 0.00 O ATOM 132 NE2 GLN A 9 89.629 -1.180 34.615 1.00 0.00 N ATOM 0 H GLN A 9 87.075 1.605 31.352 1.00 0.00 H new ATOM 0 HA GLN A 9 85.161 0.205 32.921 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.515 2.004 33.667 1.00 0.00 H new ATOM 0 HB3 GLN A 9 86.623 1.063 34.845 1.00 0.00 H new ATOM 0 HG2 GLN A 9 87.212 -1.040 33.710 1.00 0.00 H new ATOM 0 HG3 GLN A 9 87.925 -0.171 32.366 1.00 0.00 H new ATOM 0 HE21 GLN A 9 89.164 -2.073 34.450 1.00 0.00 H new ATOM 0 HE22 GLN A 9 90.518 -1.152 35.115 1.00 0.00 H new ATOM 141 N GLU A 10 85.063 3.499 33.121 1.00 0.00 N ATOM 142 CA GLU A 10 84.217 4.635 33.587 1.00 0.00 C ATOM 143 C GLU A 10 82.807 4.517 33.003 1.00 0.00 C ATOM 144 O GLU A 10 81.826 4.799 33.662 1.00 0.00 O ATOM 145 CB GLU A 10 84.849 5.955 33.139 1.00 0.00 C ATOM 146 CG GLU A 10 86.135 6.199 33.931 1.00 0.00 C ATOM 147 CD GLU A 10 86.781 7.505 33.466 1.00 0.00 C ATOM 148 OE1 GLU A 10 86.225 8.136 32.583 1.00 0.00 O ATOM 149 OE2 GLU A 10 87.820 7.853 34.003 1.00 0.00 O ATOM 0 H GLU A 10 85.874 3.767 32.563 1.00 0.00 H new ATOM 0 HA GLU A 10 84.152 4.609 34.675 1.00 0.00 H new ATOM 0 HB2 GLU A 10 85.067 5.922 32.072 1.00 0.00 H new ATOM 0 HB3 GLU A 10 84.151 6.777 33.297 1.00 0.00 H new ATOM 0 HG2 GLU A 10 85.914 6.250 34.997 1.00 0.00 H new ATOM 0 HG3 GLU A 10 86.826 5.368 33.788 1.00 0.00 H new ATOM 156 N GLU A 11 82.699 4.125 31.761 1.00 0.00 N ATOM 157 CA GLU A 11 81.353 4.014 31.118 1.00 0.00 C ATOM 158 C GLU A 11 80.780 2.610 31.323 1.00 0.00 C ATOM 159 O GLU A 11 79.690 2.309 30.878 1.00 0.00 O ATOM 160 CB GLU A 11 81.490 4.284 29.617 1.00 0.00 C ATOM 161 CG GLU A 11 81.937 5.729 29.395 1.00 0.00 C ATOM 162 CD GLU A 11 82.082 5.997 27.896 1.00 0.00 C ATOM 163 OE1 GLU A 11 81.812 5.092 27.123 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.467 7.101 27.545 1.00 0.00 O ATOM 0 H GLU A 11 83.486 3.876 31.161 1.00 0.00 H new ATOM 0 HA GLU A 11 80.682 4.742 31.573 1.00 0.00 H new ATOM 0 HB2 GLU A 11 82.214 3.597 29.178 1.00 0.00 H new ATOM 0 HB3 GLU A 11 80.538 4.106 29.117 1.00 0.00 H new ATOM 0 HG2 GLU A 11 81.210 6.416 29.829 1.00 0.00 H new ATOM 0 HG3 GLU A 11 82.886 5.908 29.900 1.00 0.00 H new ATOM 171 N CYS A 12 81.493 1.745 31.991 1.00 0.00 N ATOM 172 CA CYS A 12 80.968 0.367 32.213 1.00 0.00 C ATOM 173 C CYS A 12 79.532 0.450 32.737 1.00 0.00 C ATOM 174 O CYS A 12 78.656 -0.268 32.300 1.00 0.00 O ATOM 175 CB CYS A 12 81.842 -0.354 33.240 1.00 0.00 C ATOM 176 SG CYS A 12 81.276 -2.064 33.416 1.00 0.00 S ATOM 0 H CYS A 12 82.413 1.931 32.391 1.00 0.00 H new ATOM 0 HA CYS A 12 80.984 -0.184 31.273 1.00 0.00 H new ATOM 0 HB2 CYS A 12 82.885 -0.335 32.924 1.00 0.00 H new ATOM 0 HB3 CYS A 12 81.791 0.158 34.201 1.00 0.00 H new ATOM 0 HG CYS A 12 82.227 -2.785 33.931 1.00 0.00 H new ATOM 181 N GLU A 13 79.288 1.330 33.667 1.00 0.00 N ATOM 182 CA GLU A 13 77.915 1.474 34.224 1.00 0.00 C ATOM 183 C GLU A 13 76.948 1.855 33.096 1.00 0.00 C ATOM 184 O GLU A 13 75.820 1.407 33.054 1.00 0.00 O ATOM 185 CB GLU A 13 77.920 2.565 35.297 1.00 0.00 C ATOM 186 CG GLU A 13 78.691 2.060 36.520 1.00 0.00 C ATOM 187 CD GLU A 13 78.722 3.148 37.595 1.00 0.00 C ATOM 188 OE1 GLU A 13 78.271 4.246 37.312 1.00 0.00 O ATOM 189 OE2 GLU A 13 79.201 2.866 38.682 1.00 0.00 O ATOM 0 H GLU A 13 79.984 1.959 34.067 1.00 0.00 H new ATOM 0 HA GLU A 13 77.594 0.532 34.669 1.00 0.00 H new ATOM 0 HB2 GLU A 13 78.383 3.472 34.909 1.00 0.00 H new ATOM 0 HB3 GLU A 13 76.898 2.823 35.576 1.00 0.00 H new ATOM 0 HG2 GLU A 13 78.219 1.160 36.913 1.00 0.00 H new ATOM 0 HG3 GLU A 13 79.707 1.788 36.235 1.00 0.00 H new ATOM 196 N LYS A 14 77.384 2.684 32.184 1.00 0.00 N ATOM 197 CA LYS A 14 76.492 3.097 31.062 1.00 0.00 C ATOM 198 C LYS A 14 76.079 1.860 30.261 1.00 0.00 C ATOM 199 O LYS A 14 74.947 1.734 29.839 1.00 0.00 O ATOM 200 CB LYS A 14 77.231 4.081 30.149 1.00 0.00 C ATOM 201 CG LYS A 14 76.284 4.577 29.050 1.00 0.00 C ATOM 202 CD LYS A 14 77.025 5.559 28.138 1.00 0.00 C ATOM 203 CE LYS A 14 76.078 6.053 27.043 1.00 0.00 C ATOM 204 NZ LYS A 14 76.716 7.182 26.308 1.00 0.00 N ATOM 0 H LYS A 14 78.319 3.092 32.168 1.00 0.00 H new ATOM 0 HA LYS A 14 75.603 3.583 31.465 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.601 4.925 30.731 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.099 3.596 29.703 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.913 3.734 28.468 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.416 5.063 29.496 1.00 0.00 H new ATOM 0 HD2 LYS A 14 77.397 6.402 28.720 1.00 0.00 H new ATOM 0 HD3 LYS A 14 77.892 5.073 27.691 1.00 0.00 H new ATOM 0 HE2 LYS A 14 75.846 5.241 26.354 1.00 0.00 H new ATOM 0 HE3 LYS A 14 75.135 6.377 27.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 76.073 7.519 25.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 76.916 7.959 26.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 77.605 6.857 25.877 1.00 0.00 H new ATOM 218 N TYR A 15 76.986 0.943 30.046 1.00 0.00 N ATOM 219 CA TYR A 15 76.637 -0.285 29.271 1.00 0.00 C ATOM 220 C TYR A 15 76.055 -1.332 30.221 1.00 0.00 C ATOM 221 O TYR A 15 75.465 -2.305 29.797 1.00 0.00 O ATOM 222 CB TYR A 15 77.894 -0.853 28.609 1.00 0.00 C ATOM 223 CG TYR A 15 78.417 0.121 27.582 1.00 0.00 C ATOM 224 CD1 TYR A 15 77.888 0.120 26.286 1.00 0.00 C ATOM 225 CD2 TYR A 15 79.433 1.021 27.922 1.00 0.00 C ATOM 226 CE1 TYR A 15 78.374 1.019 25.330 1.00 0.00 C ATOM 227 CE2 TYR A 15 79.921 1.921 26.966 1.00 0.00 C ATOM 228 CZ TYR A 15 79.392 1.920 25.670 1.00 0.00 C ATOM 229 OH TYR A 15 79.873 2.805 24.727 1.00 0.00 O ATOM 0 H TYR A 15 77.951 0.991 30.373 1.00 0.00 H new ATOM 0 HA TYR A 15 75.906 -0.031 28.504 1.00 0.00 H new ATOM 0 HB2 TYR A 15 78.658 -1.045 29.363 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.666 -1.808 28.135 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.104 -0.575 26.024 1.00 0.00 H new ATOM 0 HD2 TYR A 15 79.841 1.022 28.922 1.00 0.00 H new ATOM 0 HE1 TYR A 15 77.965 1.018 24.331 1.00 0.00 H new ATOM 0 HE2 TYR A 15 80.705 2.616 27.229 1.00 0.00 H new ATOM 0 HH TYR A 15 79.564 2.535 23.837 1.00 0.00 H new ATOM 239 N HIS A 16 76.215 -1.136 31.502 1.00 0.00 N ATOM 240 CA HIS A 16 75.666 -2.108 32.492 1.00 0.00 C ATOM 241 C HIS A 16 76.261 -3.498 32.257 1.00 0.00 C ATOM 242 O HIS A 16 77.442 -3.651 32.012 1.00 0.00 O ATOM 243 CB HIS A 16 74.141 -2.174 32.359 1.00 0.00 C ATOM 244 CG HIS A 16 73.584 -0.777 32.335 1.00 0.00 C ATOM 245 ND1 HIS A 16 73.528 0.015 33.473 1.00 0.00 N ATOM 246 CD2 HIS A 16 73.066 -0.012 31.318 1.00 0.00 C ATOM 247 CE1 HIS A 16 72.993 1.199 33.117 1.00 0.00 C ATOM 248 NE2 HIS A 16 72.696 1.231 31.817 1.00 0.00 N ATOM 0 H HIS A 16 76.706 -0.339 31.908 1.00 0.00 H new ATOM 0 HA HIS A 16 75.931 -1.775 33.496 1.00 0.00 H new ATOM 0 HB2 HIS A 16 73.866 -2.703 31.446 1.00 0.00 H new ATOM 0 HB3 HIS A 16 73.716 -2.733 33.192 1.00 0.00 H new ATOM 0 HD2 HIS A 16 72.962 -0.328 30.290 1.00 0.00 H new ATOM 0 HE1 HIS A 16 72.826 2.020 33.799 1.00 0.00 H new ATOM 0 HE2 HIS A 16 72.283 2.006 31.298 1.00 0.00 H new ATOM 257 N SER A 17 75.446 -4.514 32.347 1.00 0.00 N ATOM 258 CA SER A 17 75.941 -5.906 32.148 1.00 0.00 C ATOM 259 C SER A 17 76.052 -6.220 30.657 1.00 0.00 C ATOM 260 O SER A 17 76.564 -7.251 30.268 1.00 0.00 O ATOM 261 CB SER A 17 74.955 -6.877 32.785 1.00 0.00 C ATOM 262 OG SER A 17 73.707 -6.786 32.112 1.00 0.00 O ATOM 0 H SER A 17 74.450 -4.438 32.552 1.00 0.00 H new ATOM 0 HA SER A 17 76.924 -6.005 32.608 1.00 0.00 H new ATOM 0 HB2 SER A 17 75.340 -7.895 32.726 1.00 0.00 H new ATOM 0 HB3 SER A 17 74.829 -6.644 33.842 1.00 0.00 H new ATOM 0 HG SER A 17 73.070 -7.411 32.518 1.00 0.00 H new ATOM 268 N ASN A 18 75.567 -5.350 29.824 1.00 0.00 N ATOM 269 CA ASN A 18 75.634 -5.613 28.357 1.00 0.00 C ATOM 270 C ASN A 18 77.045 -5.321 27.848 1.00 0.00 C ATOM 271 O ASN A 18 77.293 -4.316 27.213 1.00 0.00 O ATOM 272 CB ASN A 18 74.645 -4.705 27.627 1.00 0.00 C ATOM 273 CG ASN A 18 73.216 -5.145 27.936 1.00 0.00 C ATOM 274 OD1 ASN A 18 72.986 -6.266 28.348 1.00 0.00 O ATOM 275 ND2 ASN A 18 72.237 -4.304 27.751 1.00 0.00 N ATOM 0 H ASN A 18 75.127 -4.469 30.090 1.00 0.00 H new ATOM 0 HA ASN A 18 75.383 -6.657 28.170 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.791 -3.670 27.935 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.824 -4.746 26.553 1.00 0.00 H new ATOM 0 HD21 ASN A 18 71.278 -4.586 27.952 1.00 0.00 H new ATOM 0 HD22 ASN A 18 72.431 -3.364 27.405 1.00 0.00 H new ATOM 282 N TRP A 19 77.966 -6.202 28.113 1.00 0.00 N ATOM 283 CA TRP A 19 79.359 -5.991 27.637 1.00 0.00 C ATOM 284 C TRP A 19 79.406 -6.152 26.116 1.00 0.00 C ATOM 285 O TRP A 19 80.268 -5.612 25.449 1.00 0.00 O ATOM 286 CB TRP A 19 80.277 -7.018 28.302 1.00 0.00 C ATOM 287 CG TRP A 19 79.795 -8.398 27.989 1.00 0.00 C ATOM 288 CD1 TRP A 19 78.895 -9.089 28.726 1.00 0.00 C ATOM 289 CD2 TRP A 19 80.170 -9.266 26.881 1.00 0.00 C ATOM 290 NE1 TRP A 19 78.693 -10.325 28.139 1.00 0.00 N ATOM 291 CE2 TRP A 19 79.457 -10.483 27.001 1.00 0.00 C ATOM 292 CE3 TRP A 19 81.051 -9.119 25.794 1.00 0.00 C ATOM 293 CZ2 TRP A 19 79.612 -11.515 26.075 1.00 0.00 C ATOM 294 CZ3 TRP A 19 81.209 -10.157 24.861 1.00 0.00 C ATOM 295 CH2 TRP A 19 80.490 -11.352 25.001 1.00 0.00 C ATOM 0 H TRP A 19 77.814 -7.062 28.640 1.00 0.00 H new ATOM 0 HA TRP A 19 79.693 -4.987 27.898 1.00 0.00 H new ATOM 0 HB2 TRP A 19 81.300 -6.890 27.948 1.00 0.00 H new ATOM 0 HB3 TRP A 19 80.292 -6.863 29.381 1.00 0.00 H new ATOM 0 HD1 TRP A 19 78.413 -8.734 29.625 1.00 0.00 H new ATOM 0 HE1 TRP A 19 78.056 -11.034 28.503 1.00 0.00 H new ATOM 0 HE3 TRP A 19 81.609 -8.202 25.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 79.056 -12.434 26.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.889 -10.034 24.031 1.00 0.00 H new ATOM 0 HH2 TRP A 19 80.615 -12.146 24.279 1.00 0.00 H new ATOM 306 N ARG A 20 78.485 -6.893 25.561 1.00 0.00 N ATOM 307 CA ARG A 20 78.473 -7.089 24.085 1.00 0.00 C ATOM 308 C ARG A 20 78.315 -5.737 23.388 1.00 0.00 C ATOM 309 O ARG A 20 78.938 -5.468 22.381 1.00 0.00 O ATOM 310 CB ARG A 20 77.296 -7.989 23.706 1.00 0.00 C ATOM 311 CG ARG A 20 77.562 -9.415 24.193 1.00 0.00 C ATOM 312 CD ARG A 20 76.385 -10.316 23.812 1.00 0.00 C ATOM 313 NE ARG A 20 76.627 -11.694 24.325 1.00 0.00 N ATOM 314 CZ ARG A 20 75.645 -12.552 24.384 1.00 0.00 C ATOM 315 NH1 ARG A 20 74.448 -12.205 23.994 1.00 0.00 N ATOM 316 NH2 ARG A 20 75.859 -13.758 24.835 1.00 0.00 N ATOM 0 H ARG A 20 77.740 -7.371 26.068 1.00 0.00 H new ATOM 0 HA ARG A 20 79.410 -7.552 23.773 1.00 0.00 H new ATOM 0 HB2 ARG A 20 76.376 -7.608 24.150 1.00 0.00 H new ATOM 0 HB3 ARG A 20 77.154 -7.984 22.625 1.00 0.00 H new ATOM 0 HG2 ARG A 20 78.482 -9.795 23.750 1.00 0.00 H new ATOM 0 HG3 ARG A 20 77.702 -9.421 25.274 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.459 -9.919 24.229 1.00 0.00 H new ATOM 0 HD3 ARG A 20 76.264 -10.336 22.729 1.00 0.00 H new ATOM 0 HE ARG A 20 77.561 -11.967 24.630 1.00 0.00 H new ATOM 0 HH11 ARG A 20 74.279 -11.262 23.643 1.00 0.00 H new ATOM 0 HH12 ARG A 20 73.682 -12.877 24.041 1.00 0.00 H new ATOM 0 HH21 ARG A 20 76.793 -14.030 25.141 1.00 0.00 H new ATOM 0 HH22 ARG A 20 75.092 -14.429 24.881 1.00 0.00 H new ATOM 330 N ALA A 21 77.483 -4.883 23.919 1.00 0.00 N ATOM 331 CA ALA A 21 77.281 -3.549 23.287 1.00 0.00 C ATOM 332 C ALA A 21 78.566 -2.729 23.412 1.00 0.00 C ATOM 333 O ALA A 21 78.988 -2.075 22.479 1.00 0.00 O ATOM 334 CB ALA A 21 76.135 -2.817 23.993 1.00 0.00 C ATOM 0 H ALA A 21 76.935 -5.052 24.763 1.00 0.00 H new ATOM 0 HA ALA A 21 77.033 -3.678 22.234 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.987 -1.841 23.531 1.00 0.00 H new ATOM 0 HB2 ALA A 21 75.220 -3.403 23.905 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.381 -2.686 25.047 1.00 0.00 H new ATOM 340 N MET A 22 79.191 -2.758 24.555 1.00 0.00 N ATOM 341 CA MET A 22 80.447 -1.982 24.730 1.00 0.00 C ATOM 342 C MET A 22 81.531 -2.547 23.805 1.00 0.00 C ATOM 343 O MET A 22 82.295 -1.815 23.210 1.00 0.00 O ATOM 344 CB MET A 22 80.907 -2.072 26.188 1.00 0.00 C ATOM 345 CG MET A 22 82.136 -1.185 26.392 1.00 0.00 C ATOM 346 SD MET A 22 82.573 -1.142 28.150 1.00 0.00 S ATOM 347 CE MET A 22 82.878 -2.912 28.362 1.00 0.00 C ATOM 0 H MET A 22 78.886 -3.285 25.374 1.00 0.00 H new ATOM 0 HA MET A 22 80.268 -0.937 24.476 1.00 0.00 H new ATOM 0 HB2 MET A 22 80.104 -1.757 26.854 1.00 0.00 H new ATOM 0 HB3 MET A 22 81.145 -3.105 26.442 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.973 -1.568 25.808 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.932 -0.176 26.033 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.520 -3.069 29.229 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.930 -3.429 28.513 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.368 -3.306 27.472 1.00 0.00 H new ATOM 357 N ALA A 23 81.604 -3.845 23.674 1.00 0.00 N ATOM 358 CA ALA A 23 82.642 -4.445 22.785 1.00 0.00 C ATOM 359 C ALA A 23 82.449 -3.941 21.352 1.00 0.00 C ATOM 360 O ALA A 23 83.399 -3.622 20.662 1.00 0.00 O ATOM 361 CB ALA A 23 82.509 -5.969 22.804 1.00 0.00 C ATOM 0 H ALA A 23 80.992 -4.514 24.142 1.00 0.00 H new ATOM 0 HA ALA A 23 83.631 -4.157 23.142 1.00 0.00 H new ATOM 0 HB1 ALA A 23 83.267 -6.408 22.155 1.00 0.00 H new ATOM 0 HB2 ALA A 23 82.647 -6.334 23.822 1.00 0.00 H new ATOM 0 HB3 ALA A 23 81.518 -6.252 22.449 1.00 0.00 H new ATOM 367 N SER A 24 81.228 -3.876 20.892 1.00 0.00 N ATOM 368 CA SER A 24 80.974 -3.405 19.501 1.00 0.00 C ATOM 369 C SER A 24 81.396 -1.941 19.352 1.00 0.00 C ATOM 370 O SER A 24 81.944 -1.544 18.343 1.00 0.00 O ATOM 371 CB SER A 24 79.487 -3.546 19.177 1.00 0.00 C ATOM 372 OG SER A 24 79.142 -4.926 19.155 1.00 0.00 O ATOM 0 H SER A 24 80.394 -4.130 21.422 1.00 0.00 H new ATOM 0 HA SER A 24 81.558 -4.012 18.809 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.889 -3.021 19.922 1.00 0.00 H new ATOM 0 HB3 SER A 24 79.268 -3.089 18.212 1.00 0.00 H new ATOM 0 HG SER A 24 79.058 -5.257 20.074 1.00 0.00 H new ATOM 378 N ASP A 25 81.132 -1.130 20.338 1.00 0.00 N ATOM 379 CA ASP A 25 81.505 0.311 20.237 1.00 0.00 C ATOM 380 C ASP A 25 83.025 0.478 20.298 1.00 0.00 C ATOM 381 O ASP A 25 83.595 1.280 19.585 1.00 0.00 O ATOM 382 CB ASP A 25 80.859 1.085 21.387 1.00 0.00 C ATOM 383 CG ASP A 25 79.346 1.159 21.166 1.00 0.00 C ATOM 384 OD1 ASP A 25 78.918 0.917 20.049 1.00 0.00 O ATOM 385 OD2 ASP A 25 78.642 1.452 22.117 1.00 0.00 O ATOM 0 H ASP A 25 80.675 -1.401 21.209 1.00 0.00 H new ATOM 0 HA ASP A 25 81.149 0.700 19.283 1.00 0.00 H new ATOM 0 HB2 ASP A 25 81.075 0.595 22.336 1.00 0.00 H new ATOM 0 HB3 ASP A 25 81.278 2.089 21.444 1.00 0.00 H new ATOM 390 N PHE A 26 83.693 -0.268 21.137 1.00 0.00 N ATOM 391 CA PHE A 26 85.182 -0.142 21.229 1.00 0.00 C ATOM 392 C PHE A 26 85.837 -1.162 20.291 1.00 0.00 C ATOM 393 O PHE A 26 87.045 -1.228 20.173 1.00 0.00 O ATOM 394 CB PHE A 26 85.632 -0.395 22.670 1.00 0.00 C ATOM 395 CG PHE A 26 85.252 0.789 23.534 1.00 0.00 C ATOM 396 CD1 PHE A 26 83.912 1.003 23.878 1.00 0.00 C ATOM 397 CD2 PHE A 26 86.240 1.673 23.995 1.00 0.00 C ATOM 398 CE1 PHE A 26 83.558 2.096 24.679 1.00 0.00 C ATOM 399 CE2 PHE A 26 85.885 2.764 24.796 1.00 0.00 C ATOM 400 CZ PHE A 26 84.545 2.976 25.137 1.00 0.00 C ATOM 0 H PHE A 26 83.276 -0.958 21.762 1.00 0.00 H new ATOM 0 HA PHE A 26 85.482 0.864 20.934 1.00 0.00 H new ATOM 0 HB2 PHE A 26 85.166 -1.303 23.053 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.710 -0.552 22.703 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.150 0.324 23.525 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.275 1.511 23.731 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.524 2.260 24.943 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.646 3.443 25.151 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.272 3.819 25.754 1.00 0.00 H new ATOM 410 N ASN A 27 85.044 -1.945 19.611 1.00 0.00 N ATOM 411 CA ASN A 27 85.604 -2.951 18.660 1.00 0.00 C ATOM 412 C ASN A 27 86.662 -3.815 19.352 1.00 0.00 C ATOM 413 O ASN A 27 87.739 -4.020 18.830 1.00 0.00 O ATOM 414 CB ASN A 27 86.241 -2.227 17.472 1.00 0.00 C ATOM 415 CG ASN A 27 85.164 -1.475 16.686 1.00 0.00 C ATOM 416 OD1 ASN A 27 83.908 -1.793 16.849 1.00 0.00 O flip ATOM 417 ND2 ASN A 27 85.468 -0.586 15.916 1.00 0.00 N flip ATOM 0 H ASN A 27 84.026 -1.932 19.673 1.00 0.00 H new ATOM 0 HA ASN A 27 84.795 -3.595 18.315 1.00 0.00 H new ATOM 0 HB2 ASN A 27 87.001 -1.530 17.824 1.00 0.00 H new ATOM 0 HB3 ASN A 27 86.743 -2.945 16.823 1.00 0.00 H new ATOM 0 HD21 ASN A 27 86.448 -0.336 15.787 1.00 0.00 H new ATOM 0 HD22 ASN A 27 84.743 -0.090 15.398 1.00 0.00 H new ATOM 424 N LEU A 28 86.358 -4.329 20.520 1.00 0.00 N ATOM 425 CA LEU A 28 87.336 -5.195 21.258 1.00 0.00 C ATOM 426 C LEU A 28 86.746 -6.606 21.409 1.00 0.00 C ATOM 427 O LEU A 28 85.543 -6.768 21.457 1.00 0.00 O ATOM 428 CB LEU A 28 87.577 -4.602 22.646 1.00 0.00 C ATOM 429 CG LEU A 28 88.447 -3.336 22.531 1.00 0.00 C ATOM 430 CD1 LEU A 28 88.316 -2.506 23.813 1.00 0.00 C ATOM 431 CD2 LEU A 28 89.927 -3.718 22.310 1.00 0.00 C ATOM 0 H LEU A 28 85.468 -4.185 20.998 1.00 0.00 H new ATOM 0 HA LEU A 28 88.275 -5.245 20.708 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.625 -4.358 23.117 1.00 0.00 H new ATOM 0 HB3 LEU A 28 88.070 -5.336 23.284 1.00 0.00 H new ATOM 0 HG LEU A 28 88.105 -2.750 21.678 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.932 -1.610 23.731 1.00 0.00 H new ATOM 0 HD12 LEU A 28 87.274 -2.218 23.955 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.649 -3.098 24.665 1.00 0.00 H new ATOM 0 HD21 LEU A 28 90.529 -2.812 22.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 90.278 -4.315 23.152 1.00 0.00 H new ATOM 0 HD23 LEU A 28 90.020 -4.297 21.391 1.00 0.00 H new ATOM 443 N PRO A 29 87.575 -7.624 21.480 1.00 0.00 N ATOM 444 CA PRO A 29 87.093 -9.031 21.625 1.00 0.00 C ATOM 445 C PRO A 29 86.547 -9.317 23.040 1.00 0.00 C ATOM 446 O PRO A 29 86.942 -8.680 23.996 1.00 0.00 O ATOM 447 CB PRO A 29 88.346 -9.871 21.343 1.00 0.00 C ATOM 448 CG PRO A 29 89.486 -8.995 21.745 1.00 0.00 C ATOM 449 CD PRO A 29 89.049 -7.560 21.432 1.00 0.00 C ATOM 0 HA PRO A 29 86.264 -9.252 20.953 1.00 0.00 H new ATOM 0 HB2 PRO A 29 88.338 -10.799 21.915 1.00 0.00 H new ATOM 0 HB3 PRO A 29 88.410 -10.146 20.290 1.00 0.00 H new ATOM 0 HG2 PRO A 29 89.712 -9.111 22.805 1.00 0.00 H new ATOM 0 HG3 PRO A 29 90.391 -9.256 21.196 1.00 0.00 H new ATOM 0 HD2 PRO A 29 89.443 -6.853 22.162 1.00 0.00 H new ATOM 0 HD3 PRO A 29 89.404 -7.238 20.453 1.00 0.00 H new ATOM 457 N PRO A 30 85.655 -10.274 23.177 1.00 0.00 N ATOM 458 CA PRO A 30 85.069 -10.641 24.501 1.00 0.00 C ATOM 459 C PRO A 30 86.109 -10.703 25.632 1.00 0.00 C ATOM 460 O PRO A 30 85.786 -10.522 26.789 1.00 0.00 O ATOM 461 CB PRO A 30 84.477 -12.035 24.254 1.00 0.00 C ATOM 462 CG PRO A 30 84.110 -12.051 22.804 1.00 0.00 C ATOM 463 CD PRO A 30 85.095 -11.112 22.092 1.00 0.00 C ATOM 0 HA PRO A 30 84.345 -9.896 24.832 1.00 0.00 H new ATOM 0 HB2 PRO A 30 85.200 -12.817 24.486 1.00 0.00 H new ATOM 0 HB3 PRO A 30 83.605 -12.210 24.883 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.176 -13.061 22.399 1.00 0.00 H new ATOM 0 HG3 PRO A 30 83.083 -11.716 22.661 1.00 0.00 H new ATOM 0 HD2 PRO A 30 85.877 -11.672 21.578 1.00 0.00 H new ATOM 0 HD3 PRO A 30 84.592 -10.504 21.340 1.00 0.00 H new ATOM 471 N VAL A 31 87.342 -10.988 25.317 1.00 0.00 N ATOM 472 CA VAL A 31 88.374 -11.093 26.392 1.00 0.00 C ATOM 473 C VAL A 31 88.490 -9.767 27.147 1.00 0.00 C ATOM 474 O VAL A 31 88.418 -9.725 28.359 1.00 0.00 O ATOM 475 CB VAL A 31 89.732 -11.431 25.763 1.00 0.00 C ATOM 476 CG1 VAL A 31 90.853 -11.301 26.809 1.00 0.00 C ATOM 477 CG2 VAL A 31 89.695 -12.866 25.231 1.00 0.00 C ATOM 0 H VAL A 31 87.680 -11.152 24.369 1.00 0.00 H new ATOM 0 HA VAL A 31 88.078 -11.877 27.089 1.00 0.00 H new ATOM 0 HB VAL A 31 89.931 -10.736 24.947 1.00 0.00 H new ATOM 0 HG11 VAL A 31 91.811 -11.544 26.348 1.00 0.00 H new ATOM 0 HG12 VAL A 31 90.881 -10.279 27.187 1.00 0.00 H new ATOM 0 HG13 VAL A 31 90.663 -11.988 27.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 90.657 -13.113 24.783 1.00 0.00 H new ATOM 0 HG22 VAL A 31 89.490 -13.553 26.052 1.00 0.00 H new ATOM 0 HG23 VAL A 31 88.911 -12.955 24.479 1.00 0.00 H new ATOM 487 N VAL A 32 88.680 -8.690 26.444 1.00 0.00 N ATOM 488 CA VAL A 32 88.815 -7.377 27.125 1.00 0.00 C ATOM 489 C VAL A 32 87.456 -6.931 27.660 1.00 0.00 C ATOM 490 O VAL A 32 87.350 -6.390 28.742 1.00 0.00 O ATOM 491 CB VAL A 32 89.339 -6.349 26.130 1.00 0.00 C ATOM 492 CG1 VAL A 32 89.446 -4.984 26.807 1.00 0.00 C ATOM 493 CG2 VAL A 32 90.719 -6.780 25.632 1.00 0.00 C ATOM 0 H VAL A 32 88.748 -8.662 25.427 1.00 0.00 H new ATOM 0 HA VAL A 32 89.512 -7.468 27.958 1.00 0.00 H new ATOM 0 HB VAL A 32 88.651 -6.280 25.287 1.00 0.00 H new ATOM 0 HG11 VAL A 32 89.821 -4.252 26.092 1.00 0.00 H new ATOM 0 HG12 VAL A 32 88.462 -4.675 27.161 1.00 0.00 H new ATOM 0 HG13 VAL A 32 90.131 -5.050 27.652 1.00 0.00 H new ATOM 0 HG21 VAL A 32 91.095 -6.045 24.920 1.00 0.00 H new ATOM 0 HG22 VAL A 32 91.405 -6.851 26.476 1.00 0.00 H new ATOM 0 HG23 VAL A 32 90.643 -7.752 25.144 1.00 0.00 H new ATOM 503 N ALA A 33 86.412 -7.145 26.907 1.00 0.00 N ATOM 504 CA ALA A 33 85.064 -6.722 27.371 1.00 0.00 C ATOM 505 C ALA A 33 84.719 -7.440 28.677 1.00 0.00 C ATOM 506 O ALA A 33 84.357 -6.819 29.657 1.00 0.00 O ATOM 507 CB ALA A 33 84.031 -7.063 26.295 1.00 0.00 C ATOM 0 H ALA A 33 86.436 -7.594 25.992 1.00 0.00 H new ATOM 0 HA ALA A 33 85.058 -5.647 27.549 1.00 0.00 H new ATOM 0 HB1 ALA A 33 83.041 -6.755 26.631 1.00 0.00 H new ATOM 0 HB2 ALA A 33 84.281 -6.540 25.372 1.00 0.00 H new ATOM 0 HB3 ALA A 33 84.035 -8.138 26.115 1.00 0.00 H new ATOM 513 N LYS A 34 84.842 -8.737 28.710 1.00 0.00 N ATOM 514 CA LYS A 34 84.535 -9.475 29.968 1.00 0.00 C ATOM 515 C LYS A 34 85.458 -8.994 31.091 1.00 0.00 C ATOM 516 O LYS A 34 85.051 -8.855 32.227 1.00 0.00 O ATOM 517 CB LYS A 34 84.724 -10.981 29.764 1.00 0.00 C ATOM 518 CG LYS A 34 83.612 -11.529 28.865 1.00 0.00 C ATOM 519 CD LYS A 34 83.812 -13.035 28.669 1.00 0.00 C ATOM 520 CE LYS A 34 82.700 -13.594 27.779 1.00 0.00 C ATOM 521 NZ LYS A 34 82.909 -15.058 27.588 1.00 0.00 N ATOM 0 H LYS A 34 85.140 -9.316 27.925 1.00 0.00 H new ATOM 0 HA LYS A 34 83.497 -9.281 30.239 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.697 -11.176 29.314 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.710 -11.492 30.727 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.638 -11.336 29.314 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.625 -11.021 27.901 1.00 0.00 H new ATOM 0 HD2 LYS A 34 84.784 -13.226 28.215 1.00 0.00 H new ATOM 0 HD3 LYS A 34 83.806 -13.541 29.635 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.727 -13.411 28.235 1.00 0.00 H new ATOM 0 HE3 LYS A 34 82.701 -13.086 26.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 82.154 -15.440 26.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 83.831 -15.221 27.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.888 -15.535 28.512 1.00 0.00 H new ATOM 535 N GLU A 35 86.702 -8.759 30.783 1.00 0.00 N ATOM 536 CA GLU A 35 87.663 -8.311 31.833 1.00 0.00 C ATOM 537 C GLU A 35 87.219 -6.974 32.430 1.00 0.00 C ATOM 538 O GLU A 35 87.319 -6.759 33.620 1.00 0.00 O ATOM 539 CB GLU A 35 89.048 -8.140 31.210 1.00 0.00 C ATOM 540 CG GLU A 35 90.093 -7.923 32.314 1.00 0.00 C ATOM 541 CD GLU A 35 90.068 -6.467 32.794 1.00 0.00 C ATOM 542 OE1 GLU A 35 89.678 -5.610 32.019 1.00 0.00 O ATOM 543 OE2 GLU A 35 90.442 -6.234 33.931 1.00 0.00 O ATOM 0 H GLU A 35 87.097 -8.858 29.848 1.00 0.00 H new ATOM 0 HA GLU A 35 87.694 -9.062 32.623 1.00 0.00 H new ATOM 0 HB2 GLU A 35 89.304 -9.022 30.623 1.00 0.00 H new ATOM 0 HB3 GLU A 35 89.047 -7.291 30.526 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.892 -8.592 33.151 1.00 0.00 H new ATOM 0 HG3 GLU A 35 91.085 -8.172 31.938 1.00 0.00 H new ATOM 550 N ILE A 36 86.733 -6.074 31.622 1.00 0.00 N ATOM 551 CA ILE A 36 86.294 -4.761 32.169 1.00 0.00 C ATOM 552 C ILE A 36 85.188 -5.018 33.191 1.00 0.00 C ATOM 553 O ILE A 36 85.177 -4.457 34.268 1.00 0.00 O ATOM 554 CB ILE A 36 85.784 -3.887 31.024 1.00 0.00 C ATOM 555 CG1 ILE A 36 86.968 -3.492 30.137 1.00 0.00 C ATOM 556 CG2 ILE A 36 85.134 -2.623 31.585 1.00 0.00 C ATOM 557 CD1 ILE A 36 86.452 -2.867 28.843 1.00 0.00 C ATOM 0 H ILE A 36 86.621 -6.189 30.615 1.00 0.00 H new ATOM 0 HA ILE A 36 87.121 -4.243 32.654 1.00 0.00 H new ATOM 0 HB ILE A 36 85.047 -4.442 30.443 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.610 -2.786 30.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.576 -4.369 29.912 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.773 -2.004 30.764 1.00 0.00 H new ATOM 0 HG22 ILE A 36 84.297 -2.898 32.227 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.868 -2.063 32.165 1.00 0.00 H new ATOM 0 HD11 ILE A 36 87.296 -2.586 28.213 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.828 -3.588 28.314 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.863 -1.980 29.077 1.00 0.00 H new ATOM 569 N VAL A 37 84.283 -5.901 32.875 1.00 0.00 N ATOM 570 CA VAL A 37 83.203 -6.246 33.839 1.00 0.00 C ATOM 571 C VAL A 37 83.841 -6.968 35.026 1.00 0.00 C ATOM 572 O VAL A 37 83.482 -6.758 36.168 1.00 0.00 O ATOM 573 CB VAL A 37 82.187 -7.168 33.151 1.00 0.00 C ATOM 574 CG1 VAL A 37 81.233 -7.780 34.195 1.00 0.00 C ATOM 575 CG2 VAL A 37 81.383 -6.346 32.135 1.00 0.00 C ATOM 0 H VAL A 37 84.245 -6.401 31.986 1.00 0.00 H new ATOM 0 HA VAL A 37 82.689 -5.347 34.180 1.00 0.00 H new ATOM 0 HB VAL A 37 82.713 -7.977 32.644 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.517 -8.432 33.695 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.808 -8.359 34.918 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.699 -6.982 34.711 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.657 -6.990 31.639 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.861 -5.540 32.651 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.060 -5.923 31.393 1.00 0.00 H new ATOM 585 N ALA A 38 84.788 -7.818 34.748 1.00 0.00 N ATOM 586 CA ALA A 38 85.471 -8.573 35.833 1.00 0.00 C ATOM 587 C ALA A 38 86.114 -7.597 36.825 1.00 0.00 C ATOM 588 O ALA A 38 86.400 -7.949 37.952 1.00 0.00 O ATOM 589 CB ALA A 38 86.554 -9.462 35.215 1.00 0.00 C ATOM 0 H ALA A 38 85.121 -8.024 33.806 1.00 0.00 H new ATOM 0 HA ALA A 38 84.743 -9.188 36.363 1.00 0.00 H new ATOM 0 HB1 ALA A 38 87.060 -10.020 36.003 1.00 0.00 H new ATOM 0 HB2 ALA A 38 86.096 -10.160 34.514 1.00 0.00 H new ATOM 0 HB3 ALA A 38 87.278 -8.841 34.688 1.00 0.00 H new ATOM 595 N SER A 39 86.353 -6.376 36.416 1.00 0.00 N ATOM 596 CA SER A 39 86.989 -5.387 37.342 1.00 0.00 C ATOM 597 C SER A 39 85.905 -4.527 37.996 1.00 0.00 C ATOM 598 O SER A 39 86.016 -4.143 39.143 1.00 0.00 O ATOM 599 CB SER A 39 87.940 -4.493 36.544 1.00 0.00 C ATOM 600 OG SER A 39 89.041 -5.270 36.090 1.00 0.00 O ATOM 0 H SER A 39 86.136 -6.021 35.484 1.00 0.00 H new ATOM 0 HA SER A 39 87.545 -5.915 38.117 1.00 0.00 H new ATOM 0 HB2 SER A 39 87.417 -4.051 35.696 1.00 0.00 H new ATOM 0 HB3 SER A 39 88.292 -3.670 37.166 1.00 0.00 H new ATOM 0 HG SER A 39 89.041 -5.296 35.110 1.00 0.00 H new ATOM 606 N CYS A 40 84.851 -4.235 37.286 1.00 0.00 N ATOM 607 CA CYS A 40 83.758 -3.416 37.882 1.00 0.00 C ATOM 608 C CYS A 40 83.194 -4.153 39.103 1.00 0.00 C ATOM 609 O CYS A 40 82.924 -5.334 39.049 1.00 0.00 O ATOM 610 CB CYS A 40 82.657 -3.210 36.843 1.00 0.00 C ATOM 611 SG CYS A 40 81.404 -2.084 37.501 1.00 0.00 S ATOM 0 H CYS A 40 84.699 -4.527 36.321 1.00 0.00 H new ATOM 0 HA CYS A 40 84.143 -2.444 38.190 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.081 -2.802 35.925 1.00 0.00 H new ATOM 0 HB3 CYS A 40 82.202 -4.167 36.586 1.00 0.00 H new ATOM 0 HG CYS A 40 80.470 -1.909 36.614 1.00 0.00 H new ATOM 616 N ASP A 41 83.032 -3.472 40.204 1.00 0.00 N ATOM 617 CA ASP A 41 82.505 -4.140 41.436 1.00 0.00 C ATOM 618 C ASP A 41 80.992 -4.374 41.344 1.00 0.00 C ATOM 619 O ASP A 41 80.484 -5.371 41.817 1.00 0.00 O ATOM 620 CB ASP A 41 82.802 -3.263 42.652 1.00 0.00 C ATOM 621 CG ASP A 41 84.305 -3.265 42.934 1.00 0.00 C ATOM 622 OD1 ASP A 41 84.966 -4.199 42.510 1.00 0.00 O ATOM 623 OD2 ASP A 41 84.770 -2.333 43.568 1.00 0.00 O ATOM 0 H ASP A 41 83.241 -2.479 40.307 1.00 0.00 H new ATOM 0 HA ASP A 41 82.996 -5.108 41.533 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.458 -2.245 42.471 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.259 -3.634 43.521 1.00 0.00 H new ATOM 628 N LYS A 42 80.264 -3.456 40.774 1.00 0.00 N ATOM 629 CA LYS A 42 78.781 -3.626 40.698 1.00 0.00 C ATOM 630 C LYS A 42 78.417 -4.746 39.720 1.00 0.00 C ATOM 631 O LYS A 42 77.517 -5.524 39.969 1.00 0.00 O ATOM 632 CB LYS A 42 78.146 -2.315 40.221 1.00 0.00 C ATOM 633 CG LYS A 42 78.463 -1.176 41.202 1.00 0.00 C ATOM 634 CD LYS A 42 77.708 -1.377 42.527 1.00 0.00 C ATOM 635 CE LYS A 42 77.666 -0.055 43.299 1.00 0.00 C ATOM 636 NZ LYS A 42 79.007 0.594 43.240 1.00 0.00 N ATOM 0 H LYS A 42 80.626 -2.598 40.358 1.00 0.00 H new ATOM 0 HA LYS A 42 78.407 -3.887 41.688 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.520 -2.063 39.229 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.066 -2.438 40.133 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.536 -1.139 41.391 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.184 -0.220 40.760 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.695 -1.728 42.330 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.200 -2.144 43.125 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.911 0.605 42.872 1.00 0.00 H new ATOM 0 HE3 LYS A 42 77.382 -0.235 44.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.086 1.298 44.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.747 -0.127 43.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.125 1.064 42.320 1.00 0.00 H new ATOM 650 N CYS A 43 79.097 -4.842 38.610 1.00 0.00 N ATOM 651 CA CYS A 43 78.767 -5.921 37.631 1.00 0.00 C ATOM 652 C CYS A 43 79.483 -7.220 38.024 1.00 0.00 C ATOM 653 O CYS A 43 79.381 -8.222 37.344 1.00 0.00 O ATOM 654 CB CYS A 43 79.186 -5.494 36.226 1.00 0.00 C ATOM 655 SG CYS A 43 78.262 -4.013 35.748 1.00 0.00 S ATOM 0 H CYS A 43 79.862 -4.225 38.338 1.00 0.00 H new ATOM 0 HA CYS A 43 77.691 -6.095 37.641 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.257 -5.292 36.199 1.00 0.00 H new ATOM 0 HB3 CYS A 43 78.996 -6.300 35.517 1.00 0.00 H new ATOM 0 HG CYS A 43 78.619 -3.646 34.553 1.00 0.00 H new ATOM 660 N GLN A 44 80.203 -7.216 39.118 1.00 0.00 N ATOM 661 CA GLN A 44 80.915 -8.458 39.545 1.00 0.00 C ATOM 662 C GLN A 44 79.900 -9.418 40.163 1.00 0.00 C ATOM 663 O GLN A 44 79.570 -10.440 39.595 1.00 0.00 O ATOM 664 CB GLN A 44 81.982 -8.103 40.589 1.00 0.00 C ATOM 665 CG GLN A 44 82.824 -9.340 40.933 1.00 0.00 C ATOM 666 CD GLN A 44 83.774 -9.658 39.777 1.00 0.00 C ATOM 667 OE1 GLN A 44 83.983 -10.809 39.447 1.00 0.00 O ATOM 668 NE2 GLN A 44 84.368 -8.681 39.148 1.00 0.00 N ATOM 0 H GLN A 44 80.328 -6.410 39.731 1.00 0.00 H new ATOM 0 HA GLN A 44 81.395 -8.925 38.685 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.626 -7.311 40.206 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.505 -7.718 41.490 1.00 0.00 H new ATOM 0 HG2 GLN A 44 83.393 -9.161 41.845 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.173 -10.193 41.126 1.00 0.00 H new ATOM 0 HE21 GLN A 44 84.193 -7.715 39.425 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.008 -8.883 38.380 1.00 0.00 H new ATOM 677 N LEU A 45 79.393 -9.091 41.318 1.00 0.00 N ATOM 678 CA LEU A 45 78.388 -9.979 41.966 1.00 0.00 C ATOM 679 C LEU A 45 77.018 -9.693 41.350 1.00 0.00 C ATOM 680 O LEU A 45 76.761 -8.605 40.871 1.00 0.00 O ATOM 681 CB LEU A 45 78.345 -9.702 43.472 1.00 0.00 C ATOM 682 CG LEU A 45 79.737 -9.913 44.083 1.00 0.00 C ATOM 683 CD1 LEU A 45 79.671 -9.630 45.588 1.00 0.00 C ATOM 684 CD2 LEU A 45 80.211 -11.359 43.848 1.00 0.00 C ATOM 0 H LEU A 45 79.630 -8.248 41.841 1.00 0.00 H new ATOM 0 HA LEU A 45 78.658 -11.023 41.809 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.010 -8.681 43.653 1.00 0.00 H new ATOM 0 HB3 LEU A 45 77.624 -10.364 43.952 1.00 0.00 H new ATOM 0 HG LEU A 45 80.444 -9.233 43.608 1.00 0.00 H new ATOM 0 HD11 LEU A 45 80.657 -9.778 46.030 1.00 0.00 H new ATOM 0 HD12 LEU A 45 79.351 -8.601 45.751 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.958 -10.310 46.055 1.00 0.00 H new ATOM 0 HD21 LEU A 45 81.200 -11.494 44.287 1.00 0.00 H new ATOM 0 HD22 LEU A 45 79.510 -12.052 44.313 1.00 0.00 H new ATOM 0 HD23 LEU A 45 80.259 -11.557 42.777 1.00 0.00 H new ATOM 839 N PHE B 1 95.978 -11.470 22.303 1.00 0.00 N ATOM 840 CA PHE B 1 95.115 -12.600 22.747 1.00 0.00 C ATOM 841 C PHE B 1 95.661 -13.899 22.161 1.00 0.00 C ATOM 842 O PHE B 1 95.562 -14.153 20.978 1.00 0.00 O ATOM 843 CB PHE B 1 93.686 -12.360 22.261 1.00 0.00 C ATOM 844 CG PHE B 1 93.298 -10.929 22.574 1.00 0.00 C ATOM 845 CD1 PHE B 1 93.102 -10.532 23.903 1.00 0.00 C ATOM 846 CD2 PHE B 1 93.143 -9.998 21.537 1.00 0.00 C ATOM 847 CE1 PHE B 1 92.750 -9.207 24.195 1.00 0.00 C ATOM 848 CE2 PHE B 1 92.794 -8.674 21.831 1.00 0.00 C ATOM 849 CZ PHE B 1 92.596 -8.279 23.159 1.00 0.00 C ATOM 0 H1 PHE B 1 95.407 -10.603 22.235 1.00 0.00 H new ATOM 0 H2 PHE B 1 96.744 -11.327 22.992 1.00 0.00 H new ATOM 0 H3 PHE B 1 96.386 -11.690 21.372 1.00 0.00 H new ATOM 0 HA PHE B 1 95.113 -12.670 23.835 1.00 0.00 H new ATOM 0 HB2 PHE B 1 93.616 -12.544 21.189 1.00 0.00 H new ATOM 0 HB3 PHE B 1 93.000 -13.052 22.749 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.222 -11.247 24.703 1.00 0.00 H new ATOM 0 HD2 PHE B 1 93.293 -10.302 20.512 1.00 0.00 H new ATOM 0 HE1 PHE B 1 92.598 -8.902 25.220 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.677 -7.957 21.032 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.324 -7.258 23.384 1.00 0.00 H new ATOM 861 N LEU B 2 96.265 -14.712 22.986 1.00 0.00 N ATOM 862 CA LEU B 2 96.857 -15.991 22.492 1.00 0.00 C ATOM 863 C LEU B 2 95.890 -17.150 22.692 1.00 0.00 C ATOM 864 O LEU B 2 95.220 -17.253 23.692 1.00 0.00 O ATOM 865 CB LEU B 2 98.155 -16.278 23.256 1.00 0.00 C ATOM 866 CG LEU B 2 99.136 -15.112 23.082 1.00 0.00 C ATOM 867 CD1 LEU B 2 100.383 -15.372 23.934 1.00 0.00 C ATOM 868 CD2 LEU B 2 99.543 -14.976 21.603 1.00 0.00 C ATOM 0 H LEU B 2 96.375 -14.545 23.986 1.00 0.00 H new ATOM 0 HA LEU B 2 97.062 -15.889 21.426 1.00 0.00 H new ATOM 0 HB2 LEU B 2 97.938 -16.427 24.314 1.00 0.00 H new ATOM 0 HB3 LEU B 2 98.606 -17.201 22.890 1.00 0.00 H new ATOM 0 HG LEU B 2 98.655 -14.188 23.402 1.00 0.00 H new ATOM 0 HD11 LEU B 2 101.084 -14.546 23.814 1.00 0.00 H new ATOM 0 HD12 LEU B 2 100.096 -15.456 24.982 1.00 0.00 H new ATOM 0 HD13 LEU B 2 100.857 -16.300 23.612 1.00 0.00 H new ATOM 0 HD21 LEU B 2 100.240 -14.145 21.492 1.00 0.00 H new ATOM 0 HD22 LEU B 2 100.022 -15.897 21.271 1.00 0.00 H new ATOM 0 HD23 LEU B 2 98.656 -14.789 20.997 1.00 0.00 H new ATOM 880 N ASP B 3 95.835 -18.036 21.740 1.00 0.00 N ATOM 881 CA ASP B 3 94.934 -19.212 21.862 1.00 0.00 C ATOM 882 C ASP B 3 95.342 -20.010 23.101 1.00 0.00 C ATOM 883 O ASP B 3 94.510 -20.519 23.827 1.00 0.00 O ATOM 884 CB ASP B 3 95.051 -20.087 20.611 1.00 0.00 C ATOM 885 CG ASP B 3 94.421 -19.356 19.423 1.00 0.00 C ATOM 886 OD1 ASP B 3 93.630 -18.457 19.657 1.00 0.00 O ATOM 887 OD2 ASP B 3 94.738 -19.710 18.299 1.00 0.00 O ATOM 0 H ASP B 3 96.379 -17.996 20.878 1.00 0.00 H new ATOM 0 HA ASP B 3 93.899 -18.883 21.959 1.00 0.00 H new ATOM 0 HB2 ASP B 3 96.098 -20.307 20.404 1.00 0.00 H new ATOM 0 HB3 ASP B 3 94.550 -21.042 20.773 1.00 0.00 H new ATOM 892 N GLY B 4 96.620 -20.117 23.355 1.00 0.00 N ATOM 893 CA GLY B 4 97.085 -20.870 24.557 1.00 0.00 C ATOM 894 C GLY B 4 96.294 -20.399 25.777 1.00 0.00 C ATOM 895 O GLY B 4 96.282 -21.037 26.811 1.00 0.00 O ATOM 0 H GLY B 4 97.362 -19.715 22.782 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.945 -21.941 24.408 1.00 0.00 H new ATOM 0 HA3 GLY B 4 98.151 -20.707 24.714 1.00 0.00 H new ATOM 899 N ILE B 5 95.615 -19.291 25.652 1.00 0.00 N ATOM 900 CA ILE B 5 94.801 -18.775 26.785 1.00 0.00 C ATOM 901 C ILE B 5 93.745 -19.820 27.153 1.00 0.00 C ATOM 902 O ILE B 5 93.472 -20.056 28.314 1.00 0.00 O ATOM 903 CB ILE B 5 94.151 -17.445 26.382 1.00 0.00 C ATOM 904 CG1 ILE B 5 95.231 -16.361 26.347 1.00 0.00 C ATOM 905 CG2 ILE B 5 93.070 -17.056 27.394 1.00 0.00 C ATOM 906 CD1 ILE B 5 94.678 -15.103 25.674 1.00 0.00 C ATOM 0 H ILE B 5 95.590 -18.719 24.808 1.00 0.00 H new ATOM 0 HA ILE B 5 95.430 -18.594 27.656 1.00 0.00 H new ATOM 0 HB ILE B 5 93.690 -17.549 25.400 1.00 0.00 H new ATOM 0 HG12 ILE B 5 95.559 -16.129 27.360 1.00 0.00 H new ATOM 0 HG13 ILE B 5 96.104 -16.722 25.804 1.00 0.00 H new ATOM 0 HG21 ILE B 5 92.617 -16.110 27.097 1.00 0.00 H new ATOM 0 HG22 ILE B 5 92.305 -17.832 27.425 1.00 0.00 H new ATOM 0 HG23 ILE B 5 93.518 -16.949 28.382 1.00 0.00 H new ATOM 0 HD11 ILE B 5 95.450 -14.334 25.651 1.00 0.00 H new ATOM 0 HD12 ILE B 5 94.372 -15.340 24.655 1.00 0.00 H new ATOM 0 HD13 ILE B 5 93.818 -14.738 26.236 1.00 0.00 H new ATOM 918 N ASP B 6 93.166 -20.464 26.179 1.00 0.00 N ATOM 919 CA ASP B 6 92.153 -21.509 26.490 1.00 0.00 C ATOM 920 C ASP B 6 92.826 -22.588 27.336 1.00 0.00 C ATOM 921 O ASP B 6 92.249 -23.119 28.263 1.00 0.00 O ATOM 922 CB ASP B 6 91.623 -22.123 25.190 1.00 0.00 C ATOM 923 CG ASP B 6 90.761 -21.096 24.454 1.00 0.00 C ATOM 924 OD1 ASP B 6 90.394 -20.110 25.070 1.00 0.00 O ATOM 925 OD2 ASP B 6 90.485 -21.314 23.286 1.00 0.00 O ATOM 0 H ASP B 6 93.349 -20.313 25.187 1.00 0.00 H new ATOM 0 HA ASP B 6 91.316 -21.072 27.034 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.454 -22.436 24.558 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.036 -23.015 25.410 1.00 0.00 H new ATOM 930 N LYS B 7 94.054 -22.905 27.032 1.00 0.00 N ATOM 931 CA LYS B 7 94.780 -23.935 27.826 1.00 0.00 C ATOM 932 C LYS B 7 94.949 -23.426 29.259 1.00 0.00 C ATOM 933 O LYS B 7 94.845 -24.173 30.212 1.00 0.00 O ATOM 934 CB LYS B 7 96.158 -24.192 27.208 1.00 0.00 C ATOM 935 CG LYS B 7 96.842 -25.339 27.955 1.00 0.00 C ATOM 936 CD LYS B 7 98.218 -25.608 27.341 1.00 0.00 C ATOM 937 CE LYS B 7 98.886 -26.771 28.077 1.00 0.00 C ATOM 938 NZ LYS B 7 100.233 -27.024 27.494 1.00 0.00 N ATOM 0 H LYS B 7 94.587 -22.494 26.266 1.00 0.00 H new ATOM 0 HA LYS B 7 94.212 -24.865 27.826 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.055 -24.441 26.152 1.00 0.00 H new ATOM 0 HB3 LYS B 7 96.768 -23.291 27.265 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.947 -25.087 29.010 1.00 0.00 H new ATOM 0 HG3 LYS B 7 96.228 -26.238 27.902 1.00 0.00 H new ATOM 0 HD2 LYS B 7 98.116 -25.845 26.282 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.840 -24.715 27.409 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.976 -26.539 29.138 1.00 0.00 H new ATOM 0 HE3 LYS B 7 98.270 -27.667 27.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 100.685 -27.815 27.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 100.136 -27.263 26.487 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 100.820 -26.171 27.592 1.00 0.00 H new ATOM 952 N ALA B 8 95.210 -22.157 29.416 1.00 0.00 N ATOM 953 CA ALA B 8 95.389 -21.592 30.784 1.00 0.00 C ATOM 954 C ALA B 8 94.117 -21.826 31.604 1.00 0.00 C ATOM 955 O ALA B 8 94.172 -22.037 32.800 1.00 0.00 O ATOM 956 CB ALA B 8 95.660 -20.089 30.685 1.00 0.00 C ATOM 0 H ALA B 8 95.307 -21.486 28.654 1.00 0.00 H new ATOM 0 HA ALA B 8 96.232 -22.083 31.271 1.00 0.00 H new ATOM 0 HB1 ALA B 8 95.791 -19.676 31.685 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.565 -19.920 30.102 1.00 0.00 H new ATOM 0 HB3 ALA B 8 94.817 -19.599 30.198 1.00 0.00 H new ATOM 962 N GLN B 9 92.972 -21.791 30.977 1.00 0.00 N ATOM 963 CA GLN B 9 91.710 -22.014 31.739 1.00 0.00 C ATOM 964 C GLN B 9 91.757 -23.403 32.379 1.00 0.00 C ATOM 965 O GLN B 9 91.349 -23.596 33.507 1.00 0.00 O ATOM 966 CB GLN B 9 90.514 -21.950 30.784 1.00 0.00 C ATOM 967 CG GLN B 9 90.306 -20.514 30.301 1.00 0.00 C ATOM 968 CD GLN B 9 89.250 -20.501 29.193 1.00 0.00 C ATOM 969 OE1 GLN B 9 89.170 -21.421 28.404 1.00 0.00 O ATOM 970 NE2 GLN B 9 88.428 -19.492 29.102 1.00 0.00 N ATOM 0 H GLN B 9 92.856 -21.619 29.978 1.00 0.00 H new ATOM 0 HA GLN B 9 91.607 -21.247 32.506 1.00 0.00 H new ATOM 0 HB2 GLN B 9 90.683 -22.608 29.932 1.00 0.00 H new ATOM 0 HB3 GLN B 9 89.616 -22.306 31.289 1.00 0.00 H new ATOM 0 HG2 GLN B 9 89.988 -19.882 31.130 1.00 0.00 H new ATOM 0 HG3 GLN B 9 91.245 -20.104 29.929 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.494 -18.719 29.764 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.719 -19.476 28.369 1.00 0.00 H new ATOM 979 N GLU B 10 92.253 -24.372 31.659 1.00 0.00 N ATOM 980 CA GLU B 10 92.336 -25.755 32.207 1.00 0.00 C ATOM 981 C GLU B 10 93.250 -25.782 33.436 1.00 0.00 C ATOM 982 O GLU B 10 92.985 -26.468 34.403 1.00 0.00 O ATOM 983 CB GLU B 10 92.893 -26.695 31.136 1.00 0.00 C ATOM 984 CG GLU B 10 91.854 -26.876 30.028 1.00 0.00 C ATOM 985 CD GLU B 10 92.418 -27.791 28.940 1.00 0.00 C ATOM 986 OE1 GLU B 10 93.549 -28.226 29.087 1.00 0.00 O ATOM 987 OE2 GLU B 10 91.710 -28.045 27.980 1.00 0.00 O ATOM 0 H GLU B 10 92.607 -24.264 30.708 1.00 0.00 H new ATOM 0 HA GLU B 10 91.338 -26.082 32.500 1.00 0.00 H new ATOM 0 HB2 GLU B 10 93.815 -26.287 30.722 1.00 0.00 H new ATOM 0 HB3 GLU B 10 93.142 -27.660 31.577 1.00 0.00 H new ATOM 0 HG2 GLU B 10 90.940 -27.304 30.439 1.00 0.00 H new ATOM 0 HG3 GLU B 10 91.589 -25.908 29.602 1.00 0.00 H new ATOM 994 N GLU B 11 94.337 -25.059 33.396 1.00 0.00 N ATOM 995 CA GLU B 11 95.289 -25.059 34.549 1.00 0.00 C ATOM 996 C GLU B 11 94.919 -23.955 35.543 1.00 0.00 C ATOM 997 O GLU B 11 95.568 -23.785 36.556 1.00 0.00 O ATOM 998 CB GLU B 11 96.706 -24.810 34.029 1.00 0.00 C ATOM 999 CG GLU B 11 97.137 -25.976 33.136 1.00 0.00 C ATOM 1000 CD GLU B 11 98.551 -25.723 32.610 1.00 0.00 C ATOM 1001 OE1 GLU B 11 99.125 -24.709 32.972 1.00 0.00 O ATOM 1002 OE2 GLU B 11 99.037 -26.546 31.852 1.00 0.00 O ATOM 0 H GLU B 11 94.609 -24.466 32.612 1.00 0.00 H new ATOM 0 HA GLU B 11 95.237 -26.024 35.053 1.00 0.00 H new ATOM 0 HB2 GLU B 11 96.739 -23.877 33.467 1.00 0.00 H new ATOM 0 HB3 GLU B 11 97.398 -24.704 34.865 1.00 0.00 H new ATOM 0 HG2 GLU B 11 97.109 -26.909 33.699 1.00 0.00 H new ATOM 0 HG3 GLU B 11 96.442 -26.086 32.303 1.00 0.00 H new ATOM 1009 N CYS B 12 93.888 -23.204 35.272 1.00 0.00 N ATOM 1010 CA CYS B 12 93.495 -22.118 36.218 1.00 0.00 C ATOM 1011 C CYS B 12 93.438 -22.681 37.641 1.00 0.00 C ATOM 1012 O CYS B 12 93.917 -22.078 38.581 1.00 0.00 O ATOM 1013 CB CYS B 12 92.118 -21.576 35.832 1.00 0.00 C ATOM 1014 SG CYS B 12 91.700 -20.179 36.903 1.00 0.00 S ATOM 0 H CYS B 12 93.302 -23.293 34.442 1.00 0.00 H new ATOM 0 HA CYS B 12 94.228 -21.313 36.171 1.00 0.00 H new ATOM 0 HB2 CYS B 12 92.118 -21.261 34.789 1.00 0.00 H new ATOM 0 HB3 CYS B 12 91.367 -22.360 35.928 1.00 0.00 H new ATOM 0 HG CYS B 12 90.775 -19.461 36.338 1.00 0.00 H new ATOM 1019 N GLU B 13 92.858 -23.837 37.800 1.00 0.00 N ATOM 1020 CA GLU B 13 92.766 -24.453 39.152 1.00 0.00 C ATOM 1021 C GLU B 13 94.179 -24.671 39.705 1.00 0.00 C ATOM 1022 O GLU B 13 94.429 -24.498 40.881 1.00 0.00 O ATOM 1023 CB GLU B 13 92.034 -25.792 39.047 1.00 0.00 C ATOM 1024 CG GLU B 13 90.558 -25.535 38.734 1.00 0.00 C ATOM 1025 CD GLU B 13 89.818 -26.867 38.603 1.00 0.00 C ATOM 1026 OE1 GLU B 13 90.476 -27.894 38.640 1.00 0.00 O ATOM 1027 OE2 GLU B 13 88.607 -26.838 38.461 1.00 0.00 O ATOM 0 H GLU B 13 92.441 -24.385 37.047 1.00 0.00 H new ATOM 0 HA GLU B 13 92.215 -23.795 39.824 1.00 0.00 H new ATOM 0 HB2 GLU B 13 92.483 -26.405 38.265 1.00 0.00 H new ATOM 0 HB3 GLU B 13 92.129 -26.346 39.981 1.00 0.00 H new ATOM 0 HG2 GLU B 13 90.108 -24.935 39.525 1.00 0.00 H new ATOM 0 HG3 GLU B 13 90.466 -24.965 37.809 1.00 0.00 H new ATOM 1034 N LYS B 14 95.104 -25.056 38.865 1.00 0.00 N ATOM 1035 CA LYS B 14 96.498 -25.288 39.342 1.00 0.00 C ATOM 1036 C LYS B 14 97.057 -23.988 39.927 1.00 0.00 C ATOM 1037 O LYS B 14 97.739 -23.995 40.932 1.00 0.00 O ATOM 1038 CB LYS B 14 97.376 -25.746 38.171 1.00 0.00 C ATOM 1039 CG LYS B 14 98.785 -26.075 38.678 1.00 0.00 C ATOM 1040 CD LYS B 14 99.658 -26.531 37.507 1.00 0.00 C ATOM 1041 CE LYS B 14 101.065 -26.859 38.013 1.00 0.00 C ATOM 1042 NZ LYS B 14 101.840 -27.529 36.930 1.00 0.00 N ATOM 0 H LYS B 14 94.954 -25.220 37.869 1.00 0.00 H new ATOM 0 HA LYS B 14 96.495 -26.061 40.110 1.00 0.00 H new ATOM 0 HB2 LYS B 14 96.936 -26.623 37.696 1.00 0.00 H new ATOM 0 HB3 LYS B 14 97.425 -24.964 37.413 1.00 0.00 H new ATOM 0 HG2 LYS B 14 99.225 -25.198 39.153 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.737 -26.858 39.435 1.00 0.00 H new ATOM 0 HD2 LYS B 14 99.218 -27.408 37.032 1.00 0.00 H new ATOM 0 HD3 LYS B 14 99.706 -25.748 36.750 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.572 -25.946 38.326 1.00 0.00 H new ATOM 0 HE3 LYS B 14 101.006 -27.507 38.887 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 102.796 -27.752 37.274 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.359 -28.408 36.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 101.907 -26.895 36.108 1.00 0.00 H new ATOM 1056 N TYR B 15 96.776 -22.871 39.308 1.00 0.00 N ATOM 1057 CA TYR B 15 97.294 -21.574 39.837 1.00 0.00 C ATOM 1058 C TYR B 15 96.323 -21.032 40.887 1.00 0.00 C ATOM 1059 O TYR B 15 96.647 -20.134 41.639 1.00 0.00 O ATOM 1060 CB TYR B 15 97.415 -20.560 38.697 1.00 0.00 C ATOM 1061 CG TYR B 15 98.456 -21.022 37.707 1.00 0.00 C ATOM 1062 CD1 TYR B 15 99.808 -20.738 37.931 1.00 0.00 C ATOM 1063 CD2 TYR B 15 98.071 -21.731 36.563 1.00 0.00 C ATOM 1064 CE1 TYR B 15 100.775 -21.162 37.012 1.00 0.00 C ATOM 1065 CE2 TYR B 15 99.037 -22.154 35.642 1.00 0.00 C ATOM 1066 CZ TYR B 15 100.389 -21.869 35.866 1.00 0.00 C ATOM 1067 OH TYR B 15 101.343 -22.285 34.959 1.00 0.00 O ATOM 0 H TYR B 15 96.212 -22.801 38.461 1.00 0.00 H new ATOM 0 HA TYR B 15 98.274 -21.735 40.285 1.00 0.00 H new ATOM 0 HB2 TYR B 15 96.453 -20.444 38.198 1.00 0.00 H new ATOM 0 HB3 TYR B 15 97.688 -19.583 39.095 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.105 -20.191 38.814 1.00 0.00 H new ATOM 0 HD2 TYR B 15 97.028 -21.952 36.391 1.00 0.00 H new ATOM 0 HE1 TYR B 15 101.818 -20.944 37.186 1.00 0.00 H new ATOM 0 HE2 TYR B 15 98.739 -22.700 34.759 1.00 0.00 H new ATOM 0 HH TYR B 15 102.182 -21.805 35.123 1.00 0.00 H new ATOM 1077 N HIS B 16 95.138 -21.578 40.947 1.00 0.00 N ATOM 1078 CA HIS B 16 94.139 -21.113 41.954 1.00 0.00 C ATOM 1079 C HIS B 16 93.849 -19.621 41.762 1.00 0.00 C ATOM 1080 O HIS B 16 93.703 -19.140 40.656 1.00 0.00 O ATOM 1081 CB HIS B 16 94.682 -21.352 43.366 1.00 0.00 C ATOM 1082 CG HIS B 16 95.202 -22.759 43.466 1.00 0.00 C ATOM 1083 ND1 HIS B 16 94.355 -23.857 43.519 1.00 0.00 N ATOM 1084 CD2 HIS B 16 96.478 -23.265 43.509 1.00 0.00 C ATOM 1085 CE1 HIS B 16 95.125 -24.959 43.590 1.00 0.00 C ATOM 1086 NE2 HIS B 16 96.422 -24.652 43.588 1.00 0.00 N ATOM 0 H HIS B 16 94.817 -22.331 40.338 1.00 0.00 H new ATOM 0 HA HIS B 16 93.214 -21.674 41.819 1.00 0.00 H new ATOM 0 HB2 HIS B 16 95.478 -20.641 43.587 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.896 -21.189 44.103 1.00 0.00 H new ATOM 0 HD2 HIS B 16 97.384 -22.677 43.485 1.00 0.00 H new ATOM 0 HE1 HIS B 16 94.740 -25.967 43.642 1.00 0.00 H new ATOM 0 HE2 HIS B 16 97.209 -25.299 43.635 1.00 0.00 H new ATOM 1095 N SER B 17 93.752 -18.895 42.840 1.00 0.00 N ATOM 1096 CA SER B 17 93.456 -17.437 42.751 1.00 0.00 C ATOM 1097 C SER B 17 94.730 -16.659 42.431 1.00 0.00 C ATOM 1098 O SER B 17 94.696 -15.471 42.180 1.00 0.00 O ATOM 1099 CB SER B 17 92.910 -16.961 44.092 1.00 0.00 C ATOM 1100 OG SER B 17 93.912 -17.118 45.089 1.00 0.00 O ATOM 0 H SER B 17 93.866 -19.252 43.788 1.00 0.00 H new ATOM 0 HA SER B 17 92.725 -17.268 41.960 1.00 0.00 H new ATOM 0 HB2 SER B 17 92.608 -15.916 44.025 1.00 0.00 H new ATOM 0 HB3 SER B 17 92.021 -17.533 44.360 1.00 0.00 H new ATOM 0 HG SER B 17 93.565 -16.811 45.953 1.00 0.00 H new ATOM 1106 N ASN B 18 95.853 -17.312 42.454 1.00 0.00 N ATOM 1107 CA ASN B 18 97.130 -16.597 42.167 1.00 0.00 C ATOM 1108 C ASN B 18 97.275 -16.389 40.659 1.00 0.00 C ATOM 1109 O ASN B 18 98.041 -17.060 39.998 1.00 0.00 O ATOM 1110 CB ASN B 18 98.310 -17.431 42.667 1.00 0.00 C ATOM 1111 CG ASN B 18 98.321 -17.443 44.195 1.00 0.00 C ATOM 1112 OD1 ASN B 18 97.730 -16.591 44.827 1.00 0.00 O ATOM 1113 ND2 ASN B 18 98.979 -18.382 44.818 1.00 0.00 N ATOM 0 H ASN B 18 95.946 -18.307 42.658 1.00 0.00 H new ATOM 0 HA ASN B 18 97.119 -15.632 42.674 1.00 0.00 H new ATOM 0 HB2 ASN B 18 98.235 -18.450 42.286 1.00 0.00 H new ATOM 0 HB3 ASN B 18 99.246 -17.018 42.290 1.00 0.00 H new ATOM 0 HD21 ASN B 18 98.998 -18.401 45.838 1.00 0.00 H new ATOM 0 HD22 ASN B 18 99.475 -19.097 44.285 1.00 0.00 H new ATOM 1120 N TRP B 19 96.549 -15.452 40.115 1.00 0.00 N ATOM 1121 CA TRP B 19 96.647 -15.185 38.655 1.00 0.00 C ATOM 1122 C TRP B 19 98.005 -14.552 38.342 1.00 0.00 C ATOM 1123 O TRP B 19 98.509 -14.649 37.241 1.00 0.00 O ATOM 1124 CB TRP B 19 95.520 -14.236 38.243 1.00 0.00 C ATOM 1125 CG TRP B 19 95.611 -12.973 39.036 1.00 0.00 C ATOM 1126 CD1 TRP B 19 95.016 -12.767 40.233 1.00 0.00 C ATOM 1127 CD2 TRP B 19 96.320 -11.743 38.713 1.00 0.00 C ATOM 1128 NE1 TRP B 19 95.316 -11.490 40.667 1.00 0.00 N ATOM 1129 CE2 TRP B 19 96.117 -10.818 39.766 1.00 0.00 C ATOM 1130 CE3 TRP B 19 97.113 -11.342 37.623 1.00 0.00 C ATOM 1131 CZ2 TRP B 19 96.681 -9.542 39.736 1.00 0.00 C ATOM 1132 CZ3 TRP B 19 97.682 -10.059 37.590 1.00 0.00 C ATOM 1133 CH2 TRP B 19 97.466 -9.160 38.646 1.00 0.00 C ATOM 0 H TRP B 19 95.891 -14.859 40.621 1.00 0.00 H new ATOM 0 HA TRP B 19 96.554 -16.119 38.100 1.00 0.00 H new ATOM 0 HB2 TRP B 19 95.589 -14.014 37.178 1.00 0.00 H new ATOM 0 HB3 TRP B 19 94.553 -14.711 38.407 1.00 0.00 H new ATOM 0 HD1 TRP B 19 94.406 -13.484 40.763 1.00 0.00 H new ATOM 0 HE1 TRP B 19 94.986 -11.092 41.546 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.286 -12.026 36.805 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 96.511 -8.854 40.551 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.289 -9.762 36.748 1.00 0.00 H new ATOM 0 HH2 TRP B 19 97.906 -8.174 38.616 1.00 0.00 H new ATOM 1144 N ARG B 20 98.601 -13.903 39.306 1.00 0.00 N ATOM 1145 CA ARG B 20 99.927 -13.265 39.069 1.00 0.00 C ATOM 1146 C ARG B 20 100.946 -14.332 38.671 1.00 0.00 C ATOM 1147 O ARG B 20 101.771 -14.127 37.803 1.00 0.00 O ATOM 1148 CB ARG B 20 100.393 -12.581 40.356 1.00 0.00 C ATOM 1149 CG ARG B 20 99.519 -11.355 40.631 1.00 0.00 C ATOM 1150 CD ARG B 20 99.987 -10.672 41.917 1.00 0.00 C ATOM 1151 NE ARG B 20 99.107 -9.506 42.207 1.00 0.00 N ATOM 1152 CZ ARG B 20 99.124 -8.950 43.389 1.00 0.00 C ATOM 1153 NH1 ARG B 20 99.909 -9.419 44.319 1.00 0.00 N ATOM 1154 NH2 ARG B 20 98.352 -7.929 43.640 1.00 0.00 N ATOM 0 H ARG B 20 98.226 -13.787 40.248 1.00 0.00 H new ATOM 0 HA ARG B 20 99.839 -12.530 38.269 1.00 0.00 H new ATOM 0 HB2 ARG B 20 100.333 -13.278 41.192 1.00 0.00 H new ATOM 0 HB3 ARG B 20 101.437 -12.282 40.264 1.00 0.00 H new ATOM 0 HG2 ARG B 20 99.578 -10.658 39.795 1.00 0.00 H new ATOM 0 HG3 ARG B 20 98.475 -11.653 40.724 1.00 0.00 H new ATOM 0 HD2 ARG B 20 99.959 -11.378 42.747 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.021 -10.344 41.812 1.00 0.00 H new ATOM 0 HE ARG B 20 98.490 -9.141 41.481 1.00 0.00 H new ATOM 0 HH11 ARG B 20 100.510 -10.220 44.123 1.00 0.00 H new ATOM 0 HH12 ARG B 20 99.922 -8.985 45.242 1.00 0.00 H new ATOM 0 HH21 ARG B 20 97.735 -7.565 42.914 1.00 0.00 H new ATOM 0 HH22 ARG B 20 98.365 -7.495 44.563 1.00 0.00 H new ATOM 1168 N ALA B 21 100.899 -15.472 39.303 1.00 0.00 N ATOM 1169 CA ALA B 21 101.866 -16.551 38.965 1.00 0.00 C ATOM 1170 C ALA B 21 101.587 -17.059 37.551 1.00 0.00 C ATOM 1171 O ALA B 21 102.492 -17.278 36.770 1.00 0.00 O ATOM 1172 CB ALA B 21 101.715 -17.703 39.963 1.00 0.00 C ATOM 0 H ALA B 21 100.232 -15.702 40.039 1.00 0.00 H new ATOM 0 HA ALA B 21 102.882 -16.159 39.016 1.00 0.00 H new ATOM 0 HB1 ALA B 21 102.423 -18.494 39.716 1.00 0.00 H new ATOM 0 HB2 ALA B 21 101.914 -17.340 40.971 1.00 0.00 H new ATOM 0 HB3 ALA B 21 100.700 -18.097 39.913 1.00 0.00 H new ATOM 1178 N MET B 22 100.341 -17.247 37.211 1.00 0.00 N ATOM 1179 CA MET B 22 100.012 -17.737 35.845 1.00 0.00 C ATOM 1180 C MET B 22 100.424 -16.684 34.811 1.00 0.00 C ATOM 1181 O MET B 22 100.936 -17.003 33.758 1.00 0.00 O ATOM 1182 CB MET B 22 98.508 -18.002 35.747 1.00 0.00 C ATOM 1183 CG MET B 22 98.184 -18.610 34.381 1.00 0.00 C ATOM 1184 SD MET B 22 96.440 -19.100 34.328 1.00 0.00 S ATOM 1185 CE MET B 22 95.724 -17.462 34.611 1.00 0.00 C ATOM 0 H MET B 22 99.539 -17.083 37.820 1.00 0.00 H new ATOM 0 HA MET B 22 100.553 -18.663 35.648 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.195 -18.679 36.542 1.00 0.00 H new ATOM 0 HB3 MET B 22 97.955 -17.073 35.884 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.393 -17.888 33.592 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.821 -19.476 34.197 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.747 -17.404 34.131 1.00 0.00 H new ATOM 0 HE2 MET B 22 95.613 -17.294 35.682 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.380 -16.700 34.190 1.00 0.00 H new ATOM 1195 N ALA B 23 100.208 -15.430 35.101 1.00 0.00 N ATOM 1196 CA ALA B 23 100.588 -14.365 34.129 1.00 0.00 C ATOM 1197 C ALA B 23 102.095 -14.427 33.861 1.00 0.00 C ATOM 1198 O ALA B 23 102.541 -14.295 32.738 1.00 0.00 O ATOM 1199 CB ALA B 23 100.239 -12.994 34.712 1.00 0.00 C ATOM 0 H ALA B 23 99.785 -15.097 35.968 1.00 0.00 H new ATOM 0 HA ALA B 23 100.044 -14.518 33.197 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.517 -12.215 34.002 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.168 -12.943 34.906 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.784 -12.846 35.644 1.00 0.00 H new ATOM 1205 N SER B 24 102.883 -14.617 34.884 1.00 0.00 N ATOM 1206 CA SER B 24 104.361 -14.676 34.692 1.00 0.00 C ATOM 1207 C SER B 24 104.737 -15.887 33.834 1.00 0.00 C ATOM 1208 O SER B 24 105.613 -15.816 32.996 1.00 0.00 O ATOM 1209 CB SER B 24 105.051 -14.782 36.052 1.00 0.00 C ATOM 1210 OG SER B 24 104.837 -13.581 36.781 1.00 0.00 O ATOM 0 H SER B 24 102.567 -14.734 35.847 1.00 0.00 H new ATOM 0 HA SER B 24 104.686 -13.768 34.185 1.00 0.00 H new ATOM 0 HB2 SER B 24 104.657 -15.633 36.607 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.119 -14.955 35.919 1.00 0.00 H new ATOM 0 HG SER B 24 103.923 -13.572 37.136 1.00 0.00 H new ATOM 1216 N ASP B 25 104.094 -17.001 34.044 1.00 0.00 N ATOM 1217 CA ASP B 25 104.434 -18.217 33.249 1.00 0.00 C ATOM 1218 C ASP B 25 103.986 -18.049 31.795 1.00 0.00 C ATOM 1219 O ASP B 25 104.682 -18.438 30.878 1.00 0.00 O ATOM 1220 CB ASP B 25 103.740 -19.434 33.859 1.00 0.00 C ATOM 1221 CG ASP B 25 104.395 -19.775 35.201 1.00 0.00 C ATOM 1222 OD1 ASP B 25 105.494 -19.301 35.438 1.00 0.00 O ATOM 1223 OD2 ASP B 25 103.786 -20.503 35.968 1.00 0.00 O ATOM 0 H ASP B 25 103.349 -17.124 34.730 1.00 0.00 H new ATOM 0 HA ASP B 25 105.515 -18.359 33.269 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.679 -19.228 34.002 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.811 -20.284 33.181 1.00 0.00 H new ATOM 1228 N PHE B 26 102.838 -17.472 31.568 1.00 0.00 N ATOM 1229 CA PHE B 26 102.362 -17.283 30.160 1.00 0.00 C ATOM 1230 C PHE B 26 102.795 -15.902 29.659 1.00 0.00 C ATOM 1231 O PHE B 26 102.547 -15.533 28.529 1.00 0.00 O ATOM 1232 CB PHE B 26 100.836 -17.397 30.114 1.00 0.00 C ATOM 1233 CG PHE B 26 100.430 -18.845 30.295 1.00 0.00 C ATOM 1234 CD1 PHE B 26 100.544 -19.450 31.553 1.00 0.00 C ATOM 1235 CD2 PHE B 26 99.936 -19.582 29.209 1.00 0.00 C ATOM 1236 CE1 PHE B 26 100.166 -20.788 31.725 1.00 0.00 C ATOM 1237 CE2 PHE B 26 99.559 -20.919 29.383 1.00 0.00 C ATOM 1238 CZ PHE B 26 99.675 -21.522 30.640 1.00 0.00 C ATOM 0 H PHE B 26 102.208 -17.123 32.290 1.00 0.00 H new ATOM 0 HA PHE B 26 102.797 -18.052 29.521 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.391 -16.783 30.897 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.461 -17.020 29.162 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.924 -18.885 32.391 1.00 0.00 H new ATOM 0 HD2 PHE B 26 99.846 -19.118 28.238 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.254 -21.253 32.696 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.178 -21.485 28.546 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.386 -22.554 30.773 1.00 0.00 H new ATOM 1248 N ASN B 27 103.461 -15.144 30.491 1.00 0.00 N ATOM 1249 CA ASN B 27 103.938 -13.793 30.069 1.00 0.00 C ATOM 1250 C ASN B 27 102.785 -12.974 29.483 1.00 0.00 C ATOM 1251 O ASN B 27 102.914 -12.378 28.431 1.00 0.00 O ATOM 1252 CB ASN B 27 105.034 -13.950 29.012 1.00 0.00 C ATOM 1253 CG ASN B 27 106.253 -14.642 29.630 1.00 0.00 C ATOM 1254 OD1 ASN B 27 106.383 -14.680 30.930 1.00 0.00 O flip ATOM 1255 ND2 ASN B 27 107.096 -15.155 28.922 1.00 0.00 N flip ATOM 0 H ASN B 27 103.696 -15.404 31.449 1.00 0.00 H new ATOM 0 HA ASN B 27 104.332 -13.272 30.942 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.660 -14.534 28.171 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.318 -12.973 28.621 1.00 0.00 H new ATOM 0 HD21 ASN B 27 106.996 -15.126 27.907 1.00 0.00 H new ATOM 0 HD22 ASN B 27 107.904 -15.615 29.342 1.00 0.00 H new ATOM 1262 N LEU B 28 101.663 -12.930 30.161 1.00 0.00 N ATOM 1263 CA LEU B 28 100.489 -12.141 29.659 1.00 0.00 C ATOM 1264 C LEU B 28 100.174 -11.017 30.659 1.00 0.00 C ATOM 1265 O LEU B 28 100.431 -11.154 31.839 1.00 0.00 O ATOM 1266 CB LEU B 28 99.278 -13.068 29.546 1.00 0.00 C ATOM 1267 CG LEU B 28 99.447 -14.006 28.337 1.00 0.00 C ATOM 1268 CD1 LEU B 28 98.497 -15.202 28.478 1.00 0.00 C ATOM 1269 CD2 LEU B 28 99.137 -13.253 27.025 1.00 0.00 C ATOM 0 H LEU B 28 101.507 -13.410 31.047 1.00 0.00 H new ATOM 0 HA LEU B 28 100.719 -11.712 28.684 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.171 -13.653 30.459 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.367 -12.479 29.436 1.00 0.00 H new ATOM 0 HG LEU B 28 100.478 -14.358 28.306 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.618 -15.865 27.622 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.730 -15.746 29.394 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.468 -14.846 28.519 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.261 -13.929 26.179 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.111 -12.887 27.049 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.820 -12.410 26.919 1.00 0.00 H new ATOM 1281 N PRO B 29 99.625 -9.912 30.204 1.00 0.00 N ATOM 1282 CA PRO B 29 99.286 -8.766 31.102 1.00 0.00 C ATOM 1283 C PRO B 29 98.060 -9.066 31.989 1.00 0.00 C ATOM 1284 O PRO B 29 97.219 -9.865 31.630 1.00 0.00 O ATOM 1285 CB PRO B 29 98.984 -7.621 30.125 1.00 0.00 C ATOM 1286 CG PRO B 29 98.501 -8.299 28.885 1.00 0.00 C ATOM 1287 CD PRO B 29 99.267 -9.624 28.801 1.00 0.00 C ATOM 0 HA PRO B 29 100.092 -8.539 31.800 1.00 0.00 H new ATOM 0 HB2 PRO B 29 98.229 -6.946 30.527 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.874 -7.023 29.928 1.00 0.00 H new ATOM 0 HG2 PRO B 29 97.426 -8.472 28.929 1.00 0.00 H new ATOM 0 HG3 PRO B 29 98.689 -7.683 28.005 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.651 -10.416 28.374 1.00 0.00 H new ATOM 0 HD3 PRO B 29 100.153 -9.535 28.172 1.00 0.00 H new ATOM 1295 N PRO B 30 97.953 -8.426 33.134 1.00 0.00 N ATOM 1296 CA PRO B 30 96.803 -8.632 34.063 1.00 0.00 C ATOM 1297 C PRO B 30 95.444 -8.694 33.347 1.00 0.00 C ATOM 1298 O PRO B 30 94.506 -9.292 33.834 1.00 0.00 O ATOM 1299 CB PRO B 30 96.859 -7.400 34.975 1.00 0.00 C ATOM 1300 CG PRO B 30 98.304 -7.017 35.023 1.00 0.00 C ATOM 1301 CD PRO B 30 98.914 -7.441 33.678 1.00 0.00 C ATOM 0 HA PRO B 30 96.885 -9.585 34.585 1.00 0.00 H new ATOM 0 HB2 PRO B 30 96.249 -6.588 34.579 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.478 -7.629 35.970 1.00 0.00 H new ATOM 0 HG2 PRO B 30 98.416 -5.944 35.178 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.809 -7.513 35.852 1.00 0.00 H new ATOM 0 HD2 PRO B 30 99.032 -6.589 33.009 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.902 -7.881 33.811 1.00 0.00 H new ATOM 1309 N VAL B 31 95.318 -8.056 32.215 1.00 0.00 N ATOM 1310 CA VAL B 31 94.003 -8.061 31.509 1.00 0.00 C ATOM 1311 C VAL B 31 93.592 -9.495 31.166 1.00 0.00 C ATOM 1312 O VAL B 31 92.502 -9.932 31.475 1.00 0.00 O ATOM 1313 CB VAL B 31 94.118 -7.246 30.212 1.00 0.00 C ATOM 1314 CG1 VAL B 31 92.862 -7.439 29.344 1.00 0.00 C ATOM 1315 CG2 VAL B 31 94.270 -5.764 30.563 1.00 0.00 C ATOM 0 H VAL B 31 96.062 -7.535 31.751 1.00 0.00 H new ATOM 0 HA VAL B 31 93.250 -7.619 32.161 1.00 0.00 H new ATOM 0 HB VAL B 31 94.988 -7.589 29.652 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.959 -6.855 28.429 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.753 -8.494 29.092 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.983 -7.105 29.896 1.00 0.00 H new ATOM 0 HG21 VAL B 31 94.352 -5.180 29.647 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.399 -5.433 31.128 1.00 0.00 H new ATOM 0 HG23 VAL B 31 95.168 -5.623 31.165 1.00 0.00 H new ATOM 1325 N VAL B 32 94.449 -10.225 30.519 1.00 0.00 N ATOM 1326 CA VAL B 32 94.098 -11.620 30.147 1.00 0.00 C ATOM 1327 C VAL B 32 94.098 -12.503 31.395 1.00 0.00 C ATOM 1328 O VAL B 32 93.256 -13.363 31.559 1.00 0.00 O ATOM 1329 CB VAL B 32 95.123 -12.142 29.147 1.00 0.00 C ATOM 1330 CG1 VAL B 32 94.797 -13.589 28.784 1.00 0.00 C ATOM 1331 CG2 VAL B 32 95.087 -11.277 27.886 1.00 0.00 C ATOM 0 H VAL B 32 95.378 -9.918 30.231 1.00 0.00 H new ATOM 0 HA VAL B 32 93.105 -11.641 29.698 1.00 0.00 H new ATOM 0 HB VAL B 32 96.118 -12.099 29.591 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.532 -13.959 28.069 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.824 -14.205 29.683 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.803 -13.638 28.340 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.819 -11.648 27.169 1.00 0.00 H new ATOM 0 HG22 VAL B 32 94.092 -11.320 27.443 1.00 0.00 H new ATOM 0 HG23 VAL B 32 95.324 -10.245 28.146 1.00 0.00 H new ATOM 1341 N ALA B 33 95.041 -12.305 32.273 1.00 0.00 N ATOM 1342 CA ALA B 33 95.097 -13.144 33.500 1.00 0.00 C ATOM 1343 C ALA B 33 93.809 -12.966 34.306 1.00 0.00 C ATOM 1344 O ALA B 33 93.155 -13.926 34.661 1.00 0.00 O ATOM 1345 CB ALA B 33 96.305 -12.726 34.341 1.00 0.00 C ATOM 0 H ALA B 33 95.774 -11.600 32.194 1.00 0.00 H new ATOM 0 HA ALA B 33 95.196 -14.194 33.223 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.351 -13.338 35.242 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.218 -12.865 33.761 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.209 -11.677 34.620 1.00 0.00 H new ATOM 1351 N LYS B 34 93.426 -11.752 34.584 1.00 0.00 N ATOM 1352 CA LYS B 34 92.166 -11.531 35.349 1.00 0.00 C ATOM 1353 C LYS B 34 90.980 -12.117 34.579 1.00 0.00 C ATOM 1354 O LYS B 34 90.075 -12.691 35.154 1.00 0.00 O ATOM 1355 CB LYS B 34 91.936 -10.035 35.576 1.00 0.00 C ATOM 1356 CG LYS B 34 92.949 -9.499 36.591 1.00 0.00 C ATOM 1357 CD LYS B 34 92.709 -8.002 36.809 1.00 0.00 C ATOM 1358 CE LYS B 34 93.716 -7.459 37.826 1.00 0.00 C ATOM 1359 NZ LYS B 34 93.480 -6.002 38.029 1.00 0.00 N ATOM 0 H LYS B 34 93.928 -10.905 34.316 1.00 0.00 H new ATOM 0 HA LYS B 34 92.255 -12.028 36.315 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.033 -9.496 34.633 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.922 -9.865 35.937 1.00 0.00 H new ATOM 0 HG2 LYS B 34 92.852 -10.035 37.535 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.964 -9.667 36.231 1.00 0.00 H new ATOM 0 HD2 LYS B 34 92.808 -7.467 35.864 1.00 0.00 H new ATOM 0 HD3 LYS B 34 91.692 -7.835 37.165 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.615 -7.990 38.773 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.733 -7.628 37.472 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.164 -5.632 38.720 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.597 -5.502 37.125 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.514 -5.853 38.384 1.00 0.00 H new ATOM 1373 N GLU B 35 90.968 -11.958 33.286 1.00 0.00 N ATOM 1374 CA GLU B 35 89.831 -12.482 32.475 1.00 0.00 C ATOM 1375 C GLU B 35 89.729 -14.001 32.616 1.00 0.00 C ATOM 1376 O GLU B 35 88.648 -14.550 32.706 1.00 0.00 O ATOM 1377 CB GLU B 35 90.057 -12.133 31.003 1.00 0.00 C ATOM 1378 CG GLU B 35 88.790 -12.440 30.190 1.00 0.00 C ATOM 1379 CD GLU B 35 88.707 -13.940 29.880 1.00 0.00 C ATOM 1380 OE1 GLU B 35 89.746 -14.578 29.829 1.00 0.00 O ATOM 1381 OE2 GLU B 35 87.601 -14.424 29.698 1.00 0.00 O ATOM 0 H GLU B 35 91.698 -11.486 32.753 1.00 0.00 H new ATOM 0 HA GLU B 35 88.907 -12.028 32.833 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.315 -11.078 30.906 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.898 -12.704 30.610 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.907 -12.128 30.748 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.799 -11.870 29.261 1.00 0.00 H new ATOM 1388 N ILE B 36 90.835 -14.690 32.634 1.00 0.00 N ATOM 1389 CA ILE B 36 90.774 -16.170 32.768 1.00 0.00 C ATOM 1390 C ILE B 36 90.079 -16.501 34.087 1.00 0.00 C ATOM 1391 O ILE B 36 89.222 -17.361 34.154 1.00 0.00 O ATOM 1392 CB ILE B 36 92.194 -16.735 32.745 1.00 0.00 C ATOM 1393 CG1 ILE B 36 92.775 -16.560 31.341 1.00 0.00 C ATOM 1394 CG2 ILE B 36 92.166 -18.222 33.094 1.00 0.00 C ATOM 1395 CD1 ILE B 36 94.276 -16.850 31.368 1.00 0.00 C ATOM 0 H ILE B 36 91.773 -14.295 32.562 1.00 0.00 H new ATOM 0 HA ILE B 36 90.215 -16.614 31.944 1.00 0.00 H new ATOM 0 HB ILE B 36 92.808 -16.206 33.474 1.00 0.00 H new ATOM 0 HG12 ILE B 36 92.277 -17.233 30.644 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.597 -15.545 30.986 1.00 0.00 H new ATOM 0 HG21 ILE B 36 93.181 -18.619 33.076 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.742 -18.354 34.090 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.555 -18.755 32.366 1.00 0.00 H new ATOM 0 HD11 ILE B 36 94.689 -16.725 30.367 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.768 -16.159 32.052 1.00 0.00 H new ATOM 0 HD13 ILE B 36 94.443 -17.873 31.704 1.00 0.00 H new ATOM 1407 N VAL B 37 90.411 -15.790 35.127 1.00 0.00 N ATOM 1408 CA VAL B 37 89.742 -16.016 36.438 1.00 0.00 C ATOM 1409 C VAL B 37 88.285 -15.577 36.304 1.00 0.00 C ATOM 1410 O VAL B 37 87.378 -16.207 36.812 1.00 0.00 O ATOM 1411 CB VAL B 37 90.444 -15.180 37.514 1.00 0.00 C ATOM 1412 CG1 VAL B 37 89.598 -15.153 38.802 1.00 0.00 C ATOM 1413 CG2 VAL B 37 91.814 -15.801 37.810 1.00 0.00 C ATOM 0 H VAL B 37 91.121 -15.058 35.126 1.00 0.00 H new ATOM 0 HA VAL B 37 89.792 -17.067 36.722 1.00 0.00 H new ATOM 0 HB VAL B 37 90.568 -14.158 37.156 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.107 -14.556 39.559 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.624 -14.714 38.588 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.464 -16.170 39.171 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.322 -15.214 38.575 1.00 0.00 H new ATOM 0 HG22 VAL B 37 91.681 -16.823 38.166 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.414 -15.809 36.900 1.00 0.00 H new ATOM 1423 N ALA B 38 88.064 -14.492 35.616 1.00 0.00 N ATOM 1424 CA ALA B 38 86.681 -13.979 35.428 1.00 0.00 C ATOM 1425 C ALA B 38 85.816 -15.044 34.746 1.00 0.00 C ATOM 1426 O ALA B 38 84.604 -15.006 34.818 1.00 0.00 O ATOM 1427 CB ALA B 38 86.733 -12.723 34.553 1.00 0.00 C ATOM 0 H ALA B 38 88.792 -13.933 35.171 1.00 0.00 H new ATOM 0 HA ALA B 38 86.246 -13.739 36.398 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.723 -12.338 34.409 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.344 -11.964 35.042 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.168 -12.972 33.585 1.00 0.00 H new ATOM 1433 N SER B 39 86.424 -15.989 34.075 1.00 0.00 N ATOM 1434 CA SER B 39 85.627 -17.048 33.382 1.00 0.00 C ATOM 1435 C SER B 39 85.537 -18.289 34.273 1.00 0.00 C ATOM 1436 O SER B 39 84.535 -18.975 34.295 1.00 0.00 O ATOM 1437 CB SER B 39 86.315 -17.411 32.065 1.00 0.00 C ATOM 1438 OG SER B 39 86.233 -16.304 31.176 1.00 0.00 O ATOM 0 H SER B 39 87.436 -16.074 33.977 1.00 0.00 H new ATOM 0 HA SER B 39 84.622 -16.678 33.181 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.358 -17.672 32.245 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.840 -18.286 31.621 1.00 0.00 H new ATOM 0 HG SER B 39 87.136 -15.987 30.964 1.00 0.00 H new ATOM 1444 N CYS B 40 86.567 -18.576 35.020 1.00 0.00 N ATOM 1445 CA CYS B 40 86.524 -19.762 35.920 1.00 0.00 C ATOM 1446 C CYS B 40 85.371 -19.588 36.917 1.00 0.00 C ATOM 1447 O CYS B 40 85.210 -18.541 37.506 1.00 0.00 O ATOM 1448 CB CYS B 40 87.851 -19.876 36.668 1.00 0.00 C ATOM 1449 SG CYS B 40 87.871 -21.404 37.637 1.00 0.00 S ATOM 0 H CYS B 40 87.435 -18.041 35.046 1.00 0.00 H new ATOM 0 HA CYS B 40 86.365 -20.670 35.338 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.680 -19.871 35.961 1.00 0.00 H new ATOM 0 HB3 CYS B 40 87.986 -19.016 37.324 1.00 0.00 H new ATOM 0 HG CYS B 40 89.002 -21.501 38.271 1.00 0.00 H new ATOM 1454 N ASP B 41 84.563 -20.598 37.096 1.00 0.00 N ATOM 1455 CA ASP B 41 83.408 -20.481 38.039 1.00 0.00 C ATOM 1456 C ASP B 41 83.865 -20.578 39.500 1.00 0.00 C ATOM 1457 O ASP B 41 83.330 -19.917 40.368 1.00 0.00 O ATOM 1458 CB ASP B 41 82.409 -21.605 37.756 1.00 0.00 C ATOM 1459 CG ASP B 41 81.720 -21.352 36.413 1.00 0.00 C ATOM 1460 OD1 ASP B 41 81.700 -20.209 35.986 1.00 0.00 O ATOM 1461 OD2 ASP B 41 81.228 -22.306 35.834 1.00 0.00 O ATOM 0 H ASP B 41 84.651 -21.501 36.630 1.00 0.00 H new ATOM 0 HA ASP B 41 82.944 -19.507 37.887 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.923 -22.566 37.737 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.667 -21.656 38.553 1.00 0.00 H new ATOM 1466 N LYS B 42 84.823 -21.413 39.789 1.00 0.00 N ATOM 1467 CA LYS B 42 85.274 -21.565 41.206 1.00 0.00 C ATOM 1468 C LYS B 42 86.013 -20.308 41.673 1.00 0.00 C ATOM 1469 O LYS B 42 85.850 -19.870 42.794 1.00 0.00 O ATOM 1470 CB LYS B 42 86.217 -22.768 41.308 1.00 0.00 C ATOM 1471 CG LYS B 42 85.494 -24.054 40.878 1.00 0.00 C ATOM 1472 CD LYS B 42 84.433 -24.451 41.917 1.00 0.00 C ATOM 1473 CE LYS B 42 84.051 -25.921 41.723 1.00 0.00 C ATOM 1474 NZ LYS B 42 83.881 -26.201 40.268 1.00 0.00 N ATOM 0 H LYS B 42 85.313 -21.996 39.111 1.00 0.00 H new ATOM 0 HA LYS B 42 84.399 -21.716 41.839 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.092 -22.607 40.678 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.577 -22.870 42.332 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.022 -23.905 39.907 1.00 0.00 H new ATOM 0 HG3 LYS B 42 86.216 -24.862 40.761 1.00 0.00 H new ATOM 0 HD2 LYS B 42 84.819 -24.295 42.924 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.552 -23.819 41.812 1.00 0.00 H new ATOM 0 HE2 LYS B 42 84.823 -26.567 42.141 1.00 0.00 H new ATOM 0 HE3 LYS B 42 83.127 -26.142 42.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.268 -27.032 40.144 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.446 -25.378 39.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.810 -26.389 39.840 1.00 0.00 H new ATOM 1488 N CYS B 43 86.826 -19.723 40.837 1.00 0.00 N ATOM 1489 CA CYS B 43 87.566 -18.498 41.261 1.00 0.00 C ATOM 1490 C CYS B 43 86.682 -17.262 41.062 1.00 0.00 C ATOM 1491 O CYS B 43 87.097 -16.148 41.317 1.00 0.00 O ATOM 1492 CB CYS B 43 88.854 -18.361 40.451 1.00 0.00 C ATOM 1493 SG CYS B 43 89.921 -19.787 40.776 1.00 0.00 S ATOM 0 H CYS B 43 87.010 -20.037 39.884 1.00 0.00 H new ATOM 0 HA CYS B 43 87.823 -18.582 42.317 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.623 -18.300 39.387 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.369 -17.438 40.719 1.00 0.00 H new ATOM 0 HG CYS B 43 91.017 -19.675 40.086 1.00 0.00 H new ATOM 1498 N GLN B 44 85.466 -17.443 40.617 1.00 0.00 N ATOM 1499 CA GLN B 44 84.567 -16.269 40.415 1.00 0.00 C ATOM 1500 C GLN B 44 84.047 -15.802 41.773 1.00 0.00 C ATOM 1501 O GLN B 44 84.421 -14.757 42.267 1.00 0.00 O ATOM 1502 CB GLN B 44 83.379 -16.675 39.536 1.00 0.00 C ATOM 1503 CG GLN B 44 82.541 -15.441 39.189 1.00 0.00 C ATOM 1504 CD GLN B 44 83.339 -14.537 38.246 1.00 0.00 C ATOM 1505 OE1 GLN B 44 83.985 -15.012 37.334 1.00 0.00 O ATOM 1506 NE2 GLN B 44 83.323 -13.245 38.431 1.00 0.00 N ATOM 0 H GLN B 44 85.058 -18.349 40.386 1.00 0.00 H new ATOM 0 HA GLN B 44 85.120 -15.465 39.929 1.00 0.00 H new ATOM 0 HB2 GLN B 44 83.737 -17.151 38.623 1.00 0.00 H new ATOM 0 HB3 GLN B 44 82.764 -17.408 40.057 1.00 0.00 H new ATOM 0 HG2 GLN B 44 81.606 -15.743 38.717 1.00 0.00 H new ATOM 0 HG3 GLN B 44 82.279 -14.898 40.097 1.00 0.00 H new ATOM 0 HE21 GLN B 44 82.780 -12.846 39.197 1.00 0.00 H new ATOM 0 HE22 GLN B 44 83.853 -12.634 37.809 1.00 0.00 H new ATOM 1515 N LEU B 45 83.198 -16.574 42.389 1.00 0.00 N ATOM 1516 CA LEU B 45 82.665 -16.181 43.722 1.00 0.00 C ATOM 1517 C LEU B 45 83.695 -16.562 44.786 1.00 0.00 C ATOM 1518 O LEU B 45 84.476 -17.476 44.605 1.00 0.00 O ATOM 1519 CB LEU B 45 81.348 -16.915 43.992 1.00 0.00 C ATOM 1520 CG LEU B 45 80.334 -16.599 42.883 1.00 0.00 C ATOM 1521 CD1 LEU B 45 79.027 -17.343 43.173 1.00 0.00 C ATOM 1522 CD2 LEU B 45 80.067 -15.083 42.822 1.00 0.00 C ATOM 0 H LEU B 45 82.849 -17.462 42.027 1.00 0.00 H new ATOM 0 HA LEU B 45 82.479 -15.107 43.747 1.00 0.00 H new ATOM 0 HB2 LEU B 45 81.524 -17.990 44.040 1.00 0.00 H new ATOM 0 HB3 LEU B 45 80.946 -16.615 44.960 1.00 0.00 H new ATOM 0 HG LEU B 45 80.737 -16.921 41.923 1.00 0.00 H new ATOM 0 HD11 LEU B 45 78.302 -17.123 42.389 1.00 0.00 H new ATOM 0 HD12 LEU B 45 79.218 -18.416 43.201 1.00 0.00 H new ATOM 0 HD13 LEU B 45 78.630 -17.020 44.135 1.00 0.00 H new ATOM 0 HD21 LEU B 45 79.347 -14.872 42.032 1.00 0.00 H new ATOM 0 HD22 LEU B 45 79.667 -14.745 43.778 1.00 0.00 H new ATOM 0 HD23 LEU B 45 80.999 -14.558 42.613 1.00 0.00 H new