USER MOD reduce.3.24.130724 H: found=0, std=0, add=987, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 987 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 70 TYR OH : rot 130:sc= 0.619 USER MOD Set 1.2: A 124 ASN : amide:sc= 1.09 X(o=1.7,f=1.3) USER MOD Set 2.1: A 22 MET CE :methyl -159:sc= -0.143 (180deg=-0.826) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 38 CYS SG : rot -111:sc= -4.61! USER MOD Set 3.2: A 104 ASN :FLIP amide:sc= -0.804 F(o=-7.6,f=-5.4) USER MOD Set 4.1: A 25 GLN : amide:sc= -1.06 K(o=-1.2,f=-2.5) USER MOD Set 4.2: A 78 LYS NZ :NH3+ -166:sc= -0.161 (180deg=-0.262) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS :FLIP no HE2:sc= 0.118 F(o=-0.73,f=0.12) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 5 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.0098) USER MOD Single : A 6 HIS : no HD1:sc= -0.542 X(o=-0.54,f=-0.34) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 46:sc= 0.321 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 21 SER OG : rot -43:sc= 0.434 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.223 K(o=-0.22,f=-2.9!) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0114) USER MOD Single : A 36 THR OG1 : rot -82:sc= 1.22 USER MOD Single : A 37 SER OG : rot -40:sc= 0.372 USER MOD Single : A 39 ASN : amide:sc= -0.0994 X(o=-0.099,f=0) USER MOD Single : A 41 ASN : amide:sc= -0.0226 K(o=-0.023,f=-1.2!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.101 X(o=-0.1,f=-0.33) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.49 F(o=-1.2,f=-0.49) USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0229 F(o=-1.1,f=-0.023) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0.659 (180deg=0.652) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 84 ASN : amide:sc= -2.6! X(o=-2.6!,f=-2.3) USER MOD Single : A 85 GLN :FLIP amide:sc= 0 F(o=-0.92,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.24) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -43:sc= 0.801 USER MOD Single : A 98 THR OG1 : rot 115:sc= 0.522 USER MOD Single : A 101 MET CE :methyl 131:sc= -0.462 (180deg=-2.63) USER MOD Single : A 103 LYS NZ :NH3+ -118:sc= 0.459 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0311) USER MOD Single : A 107 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0862) USER MOD Single : A 109 SER OG : rot 139:sc= 0.00287 USER MOD Single : A 110 GLN : amide:sc= -2.29 K(o=-2.3,f=-5.3!) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0.736 K(o=0.74,f=-0.35) USER MOD Single : A 126 ASN : amide:sc= -0.79! C(o=-0.79!,f=-4!) USER MOD Single : A 128 ASN : amide:sc= 0.762 K(o=0.76,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 69.353 -5.870 15.005 1.00 64.52 N ATOM 2 CA MET A 1 68.033 -5.864 14.336 1.00 32.31 C ATOM 3 C MET A 1 67.490 -4.437 14.271 1.00 2.34 C ATOM 4 O MET A 1 67.489 -3.722 15.277 1.00 11.35 O ATOM 5 CB MET A 1 67.062 -6.790 15.089 1.00 71.14 C ATOM 6 CG MET A 1 65.710 -6.983 14.406 1.00 12.23 C ATOM 7 SD MET A 1 64.668 -5.513 14.468 1.00 2.20 S ATOM 8 CE MET A 1 63.237 -6.067 13.543 1.00 23.34 C ATOM 0 H1 MET A 1 69.717 -6.843 15.046 1.00 64.52 H new ATOM 0 H2 MET A 1 70.016 -5.275 14.469 1.00 64.52 H new ATOM 0 H3 MET A 1 69.255 -5.496 15.971 1.00 64.52 H new ATOM 0 HA MET A 1 68.140 -6.236 13.317 1.00 32.31 H new ATOM 0 HB2 MET A 1 67.534 -7.765 15.214 1.00 71.14 H new ATOM 0 HB3 MET A 1 66.896 -6.386 16.087 1.00 71.14 H new ATOM 0 HG2 MET A 1 65.872 -7.262 13.365 1.00 12.23 H new ATOM 0 HG3 MET A 1 65.186 -7.813 14.880 1.00 12.23 H new ATOM 0 HE1 MET A 1 62.502 -5.264 13.495 1.00 23.34 H new ATOM 0 HE2 MET A 1 63.541 -6.342 12.533 1.00 23.34 H new ATOM 0 HE3 MET A 1 62.797 -6.933 14.038 1.00 23.34 H new ATOM 20 N ALA A 2 67.054 -4.017 13.084 1.00 71.53 N ATOM 21 CA ALA A 2 66.509 -2.675 12.889 1.00 12.31 C ATOM 22 C ALA A 2 65.114 -2.570 13.503 1.00 13.54 C ATOM 23 O ALA A 2 64.100 -2.674 12.806 1.00 63.20 O ATOM 24 CB ALA A 2 66.482 -2.320 11.405 1.00 31.23 C ATOM 0 H ALA A 2 67.068 -4.590 12.240 1.00 71.53 H new ATOM 0 HA ALA A 2 67.156 -1.959 13.396 1.00 12.31 H new ATOM 0 HB1 ALA A 2 66.073 -1.318 11.278 1.00 31.23 H new ATOM 0 HB2 ALA A 2 67.495 -2.352 11.005 1.00 31.23 H new ATOM 0 HB3 ALA A 2 65.858 -3.036 10.871 1.00 31.23 H new ATOM 30 N HIS A 3 65.080 -2.389 14.818 1.00 74.52 N ATOM 31 CA HIS A 3 63.831 -2.378 15.576 1.00 72.13 C ATOM 32 C HIS A 3 63.443 -0.947 15.956 1.00 55.45 C ATOM 33 O HIS A 3 64.005 -0.377 16.892 1.00 52.54 O ATOM 34 CB HIS A 3 63.995 -3.241 16.842 1.00 3.51 C ATOM 35 CG HIS A 3 62.711 -3.569 17.552 1.00 3.41 C ATOM 36 ND1 HIS A 3 61.691 -2.782 17.970 1.00 5.53 N flip ATOM 37 CD2 HIS A 3 62.374 -4.852 17.927 1.00 33.33 C flip ATOM 38 CE1 HIS A 3 60.770 -3.597 18.579 1.00 24.55 C flip ATOM 39 NE2 HIS A 3 61.207 -4.838 18.538 1.00 11.11 N flip ATOM 0 H HIS A 3 65.913 -2.246 15.389 1.00 74.52 H new ATOM 0 HA HIS A 3 63.035 -2.791 14.956 1.00 72.13 H new ATOM 0 HB2 HIS A 3 64.491 -4.172 16.568 1.00 3.51 H new ATOM 0 HB3 HIS A 3 64.655 -2.721 17.536 1.00 3.51 H new ATOM 0 HD1 HIS A 3 61.620 -1.771 17.854 1.00 5.53 H new ATOM 0 HD2 HIS A 3 62.974 -5.732 17.748 1.00 33.33 H new ATOM 0 HE1 HIS A 3 59.839 -3.273 19.020 1.00 24.55 H new ATOM 48 N HIS A 4 62.492 -0.373 15.221 1.00 65.24 N ATOM 49 CA HIS A 4 61.991 0.971 15.518 1.00 61.54 C ATOM 50 C HIS A 4 61.219 0.969 16.838 1.00 72.23 C ATOM 51 O HIS A 4 60.509 0.008 17.148 1.00 51.11 O ATOM 52 CB HIS A 4 61.090 1.483 14.384 1.00 32.43 C ATOM 53 CG HIS A 4 61.809 1.709 13.088 1.00 41.01 C ATOM 54 ND1 HIS A 4 61.503 1.029 11.929 1.00 50.43 N ATOM 55 CD2 HIS A 4 62.815 2.556 12.767 1.00 52.21 C ATOM 56 CE1 HIS A 4 62.289 1.447 10.954 1.00 3.42 C ATOM 57 NE2 HIS A 4 63.092 2.374 11.438 1.00 1.12 N ATOM 0 H HIS A 4 62.052 -0.817 14.415 1.00 65.24 H new ATOM 0 HA HIS A 4 62.847 1.640 15.607 1.00 61.54 H new ATOM 0 HB2 HIS A 4 60.286 0.766 14.221 1.00 32.43 H new ATOM 0 HB3 HIS A 4 60.625 2.418 14.697 1.00 32.43 H new ATOM 0 HD2 HIS A 4 63.308 3.247 13.435 1.00 52.21 H new ATOM 0 HE1 HIS A 4 62.276 1.091 9.935 1.00 3.42 H new ATOM 0 HE2 HIS A 4 63.805 2.875 10.908 1.00 1.12 H new ATOM 66 N HIS A 5 61.360 2.038 17.611 1.00 64.03 N ATOM 67 CA HIS A 5 60.741 2.129 18.933 1.00 42.13 C ATOM 68 C HIS A 5 59.784 3.322 18.990 1.00 51.50 C ATOM 69 O HIS A 5 60.113 4.367 19.557 1.00 63.32 O ATOM 70 CB HIS A 5 61.833 2.248 20.013 1.00 14.25 C ATOM 71 CG HIS A 5 61.332 2.158 21.428 1.00 3.52 C ATOM 72 ND1 HIS A 5 61.547 1.059 22.230 1.00 2.41 N ATOM 73 CD2 HIS A 5 60.652 3.047 22.194 1.00 62.43 C ATOM 74 CE1 HIS A 5 61.022 1.273 23.421 1.00 64.53 C ATOM 75 NE2 HIS A 5 60.473 2.473 23.426 1.00 32.11 N ATOM 0 H HIS A 5 61.901 2.861 17.345 1.00 64.03 H new ATOM 0 HA HIS A 5 60.164 1.224 19.122 1.00 42.13 H new ATOM 0 HB2 HIS A 5 62.570 1.461 19.853 1.00 14.25 H new ATOM 0 HB3 HIS A 5 62.349 3.200 19.885 1.00 14.25 H new ATOM 0 HD2 HIS A 5 60.314 4.026 21.890 1.00 62.43 H new ATOM 0 HE1 HIS A 5 61.039 0.583 24.252 1.00 64.53 H new ATOM 0 HE2 HIS A 5 59.994 2.903 24.217 1.00 32.11 H new ATOM 84 N HIS A 6 58.619 3.162 18.362 1.00 22.32 N ATOM 85 CA HIS A 6 57.557 4.175 18.359 1.00 34.53 C ATOM 86 C HIS A 6 56.400 3.690 17.491 1.00 40.33 C ATOM 87 O HIS A 6 56.616 2.949 16.526 1.00 51.31 O ATOM 88 CB HIS A 6 58.063 5.545 17.848 1.00 33.12 C ATOM 89 CG HIS A 6 58.188 6.592 18.919 1.00 52.33 C ATOM 90 ND1 HIS A 6 58.539 7.898 18.656 1.00 1.02 N ATOM 91 CD2 HIS A 6 58.012 6.519 20.262 1.00 64.50 C ATOM 92 CE1 HIS A 6 58.578 8.578 19.786 1.00 43.33 C ATOM 93 NE2 HIS A 6 58.261 7.766 20.777 1.00 65.34 N ATOM 0 H HIS A 6 58.382 2.321 17.837 1.00 22.32 H new ATOM 0 HA HIS A 6 57.222 4.316 19.387 1.00 34.53 H new ATOM 0 HB2 HIS A 6 59.035 5.407 17.374 1.00 33.12 H new ATOM 0 HB3 HIS A 6 57.382 5.908 17.078 1.00 33.12 H new ATOM 0 HD2 HIS A 6 57.728 5.641 20.823 1.00 64.50 H new ATOM 0 HE1 HIS A 6 58.828 9.624 19.884 1.00 43.33 H new ATOM 0 HE2 HIS A 6 58.210 8.023 21.763 1.00 65.34 H new ATOM 102 N HIS A 7 55.180 4.103 17.827 1.00 53.53 N ATOM 103 CA HIS A 7 53.994 3.690 17.078 1.00 32.05 C ATOM 104 C HIS A 7 52.852 4.682 17.282 1.00 73.10 C ATOM 105 O HIS A 7 52.880 5.496 18.205 1.00 11.12 O ATOM 106 CB HIS A 7 53.544 2.287 17.518 1.00 41.42 C ATOM 107 CG HIS A 7 53.001 2.235 18.915 1.00 52.43 C ATOM 108 ND1 HIS A 7 53.794 2.050 20.026 1.00 0.32 N ATOM 109 CD2 HIS A 7 51.733 2.348 19.378 1.00 24.13 C ATOM 110 CE1 HIS A 7 53.039 2.050 21.108 1.00 62.30 C ATOM 111 NE2 HIS A 7 51.783 2.229 20.742 1.00 3.24 N ATOM 0 H HIS A 7 54.986 4.723 18.613 1.00 53.53 H new ATOM 0 HA HIS A 7 54.255 3.667 16.020 1.00 32.05 H new ATOM 0 HB2 HIS A 7 52.781 1.928 16.828 1.00 41.42 H new ATOM 0 HB3 HIS A 7 54.390 1.604 17.441 1.00 41.42 H new ATOM 0 HD2 HIS A 7 50.846 2.503 18.782 1.00 24.13 H new ATOM 0 HE1 HIS A 7 53.389 1.925 22.122 1.00 62.30 H new ATOM 0 HE2 HIS A 7 50.982 2.272 21.371 1.00 3.24 H new ATOM 120 N HIS A 8 51.853 4.605 16.408 1.00 32.15 N ATOM 121 CA HIS A 8 50.616 5.376 16.541 1.00 73.03 C ATOM 122 C HIS A 8 49.423 4.434 16.441 1.00 63.21 C ATOM 123 O HIS A 8 49.567 3.294 15.993 1.00 44.32 O ATOM 124 CB HIS A 8 50.520 6.458 15.450 1.00 25.00 C ATOM 125 CG HIS A 8 51.282 7.712 15.758 1.00 71.20 C ATOM 126 ND1 HIS A 8 50.684 8.954 15.807 1.00 30.32 N ATOM 127 CD2 HIS A 8 52.595 7.921 16.020 1.00 21.41 C ATOM 128 CE1 HIS A 8 51.590 9.866 16.091 1.00 74.15 C ATOM 129 NE2 HIS A 8 52.758 9.270 16.223 1.00 14.02 N ATOM 0 H HIS A 8 51.876 4.005 15.584 1.00 32.15 H new ATOM 0 HA HIS A 8 50.616 5.872 17.512 1.00 73.03 H new ATOM 0 HB2 HIS A 8 50.888 6.044 14.511 1.00 25.00 H new ATOM 0 HB3 HIS A 8 49.471 6.712 15.298 1.00 25.00 H new ATOM 0 HD2 HIS A 8 53.368 7.168 16.061 1.00 21.41 H new ATOM 0 HE1 HIS A 8 51.407 10.925 16.198 1.00 74.15 H new ATOM 0 HE2 HIS A 8 53.640 9.735 16.440 1.00 14.02 H new ATOM 138 N MET A 9 48.254 4.903 16.862 1.00 11.04 N ATOM 139 CA MET A 9 47.034 4.107 16.784 1.00 1.53 C ATOM 140 C MET A 9 45.894 4.949 16.222 1.00 32.51 C ATOM 141 O MET A 9 45.664 6.078 16.665 1.00 74.31 O ATOM 142 CB MET A 9 46.654 3.559 18.168 1.00 44.24 C ATOM 143 CG MET A 9 45.484 2.584 18.134 1.00 64.24 C ATOM 144 SD MET A 9 45.832 1.129 17.123 1.00 11.32 S ATOM 145 CE MET A 9 44.282 0.235 17.255 1.00 2.13 C ATOM 0 H MET A 9 48.125 5.832 17.262 1.00 11.04 H new ATOM 0 HA MET A 9 47.215 3.264 16.118 1.00 1.53 H new ATOM 0 HB2 MET A 9 47.520 3.060 18.603 1.00 44.24 H new ATOM 0 HB3 MET A 9 46.403 4.393 18.824 1.00 44.24 H new ATOM 0 HG2 MET A 9 45.247 2.269 19.150 1.00 64.24 H new ATOM 0 HG3 MET A 9 44.602 3.092 17.744 1.00 64.24 H new ATOM 0 HE1 MET A 9 44.345 -0.689 16.680 1.00 2.13 H new ATOM 0 HE2 MET A 9 44.086 -0.001 18.301 1.00 2.13 H new ATOM 0 HE3 MET A 9 43.472 0.851 16.864 1.00 2.13 H new ATOM 155 N GLY A 10 45.196 4.401 15.234 1.00 22.31 N ATOM 156 CA GLY A 10 44.084 5.099 14.619 1.00 52.54 C ATOM 157 C GLY A 10 42.795 4.922 15.399 1.00 22.53 C ATOM 158 O GLY A 10 42.259 3.814 15.473 1.00 62.02 O ATOM 0 H GLY A 10 45.383 3.477 14.845 1.00 22.31 H new ATOM 0 HA2 GLY A 10 44.319 6.161 14.546 1.00 52.54 H new ATOM 0 HA3 GLY A 10 43.945 4.732 13.602 1.00 52.54 H new ATOM 162 N THR A 11 42.308 6.003 15.994 1.00 33.02 N ATOM 163 CA THR A 11 41.055 5.980 16.735 1.00 20.35 C ATOM 164 C THR A 11 39.887 6.361 15.826 1.00 21.44 C ATOM 165 O THR A 11 39.661 7.543 15.554 1.00 74.14 O ATOM 166 CB THR A 11 41.118 6.941 17.944 1.00 42.41 C ATOM 167 OG1 THR A 11 41.598 8.224 17.515 1.00 24.13 O ATOM 168 CG2 THR A 11 42.033 6.395 19.036 1.00 22.35 C ATOM 0 H THR A 11 42.767 6.914 15.977 1.00 33.02 H new ATOM 0 HA THR A 11 40.898 4.966 17.103 1.00 20.35 H new ATOM 0 HB THR A 11 40.113 7.038 18.355 1.00 42.41 H new ATOM 0 HG1 THR A 11 41.135 8.488 16.693 1.00 24.13 H new ATOM 0 HG21 THR A 11 42.057 7.093 19.873 1.00 22.35 H new ATOM 0 HG22 THR A 11 41.656 5.431 19.378 1.00 22.35 H new ATOM 0 HG23 THR A 11 43.040 6.271 18.638 1.00 22.35 H new ATOM 176 N LEU A 12 39.165 5.357 15.328 1.00 10.10 N ATOM 177 CA LEU A 12 38.027 5.592 14.439 1.00 74.24 C ATOM 178 C LEU A 12 36.713 5.262 15.148 1.00 23.50 C ATOM 179 O LEU A 12 36.581 4.217 15.790 1.00 14.12 O ATOM 180 CB LEU A 12 38.140 4.762 13.143 1.00 24.24 C ATOM 181 CG LEU A 12 39.229 5.192 12.136 1.00 55.01 C ATOM 182 CD1 LEU A 12 39.084 6.667 11.774 1.00 50.55 C ATOM 183 CD2 LEU A 12 40.629 4.891 12.667 1.00 21.12 C ATOM 0 H LEU A 12 39.348 4.373 15.525 1.00 10.10 H new ATOM 0 HA LEU A 12 38.037 6.649 14.172 1.00 74.24 H new ATOM 0 HB2 LEU A 12 38.323 3.724 13.419 1.00 24.24 H new ATOM 0 HB3 LEU A 12 37.176 4.792 12.635 1.00 24.24 H new ATOM 0 HG LEU A 12 39.090 4.606 11.227 1.00 55.01 H new ATOM 0 HD11 LEU A 12 39.862 6.946 11.064 1.00 50.55 H new ATOM 0 HD12 LEU A 12 38.105 6.837 11.325 1.00 50.55 H new ATOM 0 HD13 LEU A 12 39.181 7.274 12.674 1.00 50.55 H new ATOM 0 HD21 LEU A 12 41.372 5.206 11.934 1.00 21.12 H new ATOM 0 HD22 LEU A 12 40.788 5.432 13.600 1.00 21.12 H new ATOM 0 HD23 LEU A 12 40.728 3.820 12.847 1.00 21.12 H new ATOM 195 N GLU A 13 35.752 6.166 15.024 1.00 22.02 N ATOM 196 CA GLU A 13 34.410 5.970 15.566 1.00 12.11 C ATOM 197 C GLU A 13 33.458 5.576 14.436 1.00 11.34 C ATOM 198 O GLU A 13 33.882 5.446 13.283 1.00 32.45 O ATOM 199 CB GLU A 13 33.912 7.238 16.290 1.00 35.05 C ATOM 200 CG GLU A 13 33.861 8.501 15.428 1.00 51.44 C ATOM 201 CD GLU A 13 35.238 9.079 15.131 1.00 41.51 C ATOM 202 OE1 GLU A 13 35.794 9.785 16.001 1.00 74.21 O ATOM 203 OE2 GLU A 13 35.773 8.828 14.028 1.00 71.23 O ATOM 0 H GLU A 13 35.878 7.058 14.545 1.00 22.02 H new ATOM 0 HA GLU A 13 34.440 5.167 16.303 1.00 12.11 H new ATOM 0 HB2 GLU A 13 32.914 7.045 16.683 1.00 35.05 H new ATOM 0 HB3 GLU A 13 34.560 7.427 17.146 1.00 35.05 H new ATOM 0 HG2 GLU A 13 33.360 8.272 14.488 1.00 51.44 H new ATOM 0 HG3 GLU A 13 33.259 9.255 15.935 1.00 51.44 H new ATOM 210 N ALA A 14 32.181 5.385 14.751 1.00 11.54 N ATOM 211 CA ALA A 14 31.216 4.933 13.750 1.00 54.24 C ATOM 212 C ALA A 14 29.844 5.571 13.961 1.00 22.23 C ATOM 213 O ALA A 14 29.159 5.289 14.948 1.00 63.22 O ATOM 214 CB ALA A 14 31.105 3.410 13.765 1.00 25.44 C ATOM 0 H ALA A 14 31.791 5.534 15.682 1.00 11.54 H new ATOM 0 HA ALA A 14 31.581 5.250 12.773 1.00 54.24 H new ATOM 0 HB1 ALA A 14 30.383 3.090 13.014 1.00 25.44 H new ATOM 0 HB2 ALA A 14 32.078 2.972 13.542 1.00 25.44 H new ATOM 0 HB3 ALA A 14 30.775 3.079 14.750 1.00 25.44 H new ATOM 220 N GLN A 15 29.462 6.445 13.034 1.00 32.13 N ATOM 221 CA GLN A 15 28.123 7.023 13.013 1.00 2.23 C ATOM 222 C GLN A 15 27.223 6.177 12.113 1.00 50.04 C ATOM 223 O GLN A 15 27.379 6.179 10.892 1.00 30.23 O ATOM 224 CB GLN A 15 28.171 8.477 12.509 1.00 52.43 C ATOM 225 CG GLN A 15 26.794 9.084 12.260 1.00 2.13 C ATOM 226 CD GLN A 15 26.842 10.548 11.851 1.00 35.33 C ATOM 227 OE1 GLN A 15 27.816 11.020 11.256 1.00 22.23 O ATOM 228 NE2 GLN A 15 25.780 11.274 12.155 1.00 15.14 N ATOM 0 H GLN A 15 30.068 6.771 12.281 1.00 32.13 H new ATOM 0 HA GLN A 15 27.719 7.029 14.025 1.00 2.23 H new ATOM 0 HB2 GLN A 15 28.701 9.088 13.239 1.00 52.43 H new ATOM 0 HB3 GLN A 15 28.747 8.513 11.584 1.00 52.43 H new ATOM 0 HG2 GLN A 15 26.290 8.513 11.480 1.00 2.13 H new ATOM 0 HG3 GLN A 15 26.194 8.987 13.165 1.00 2.13 H new ATOM 0 HE21 GLN A 15 24.995 10.848 12.647 1.00 15.14 H new ATOM 0 HE22 GLN A 15 25.746 12.260 11.897 1.00 15.14 H new ATOM 237 N THR A 16 26.301 5.436 12.721 1.00 74.45 N ATOM 238 CA THR A 16 25.432 4.525 11.985 1.00 73.21 C ATOM 239 C THR A 16 23.955 4.858 12.209 1.00 65.33 C ATOM 240 O THR A 16 23.560 5.302 13.294 1.00 61.31 O ATOM 241 CB THR A 16 25.704 3.059 12.400 1.00 54.14 C ATOM 242 OG1 THR A 16 25.644 2.937 13.830 1.00 21.24 O ATOM 243 CG2 THR A 16 27.071 2.591 11.903 1.00 74.12 C ATOM 0 H THR A 16 26.136 5.450 13.728 1.00 74.45 H new ATOM 0 HA THR A 16 25.655 4.646 10.925 1.00 73.21 H new ATOM 0 HB THR A 16 24.938 2.430 11.945 1.00 54.14 H new ATOM 0 HG1 THR A 16 25.815 2.007 14.086 1.00 21.24 H new ATOM 0 HG21 THR A 16 27.235 1.558 12.209 1.00 74.12 H new ATOM 0 HG22 THR A 16 27.105 2.657 10.816 1.00 74.12 H new ATOM 0 HG23 THR A 16 27.849 3.224 12.329 1.00 74.12 H new ATOM 251 N GLN A 17 23.150 4.651 11.169 1.00 74.25 N ATOM 252 CA GLN A 17 21.704 4.877 11.231 1.00 52.01 C ATOM 253 C GLN A 17 20.972 3.683 10.618 1.00 2.11 C ATOM 254 O GLN A 17 21.603 2.791 10.042 1.00 1.14 O ATOM 255 CB GLN A 17 21.325 6.172 10.495 1.00 55.11 C ATOM 256 CG GLN A 17 21.936 7.431 11.110 1.00 44.42 C ATOM 257 CD GLN A 17 21.580 8.703 10.353 1.00 63.10 C ATOM 258 OE1 GLN A 17 21.375 8.683 9.139 1.00 34.42 O ATOM 259 NE2 GLN A 17 21.506 9.819 11.065 1.00 25.25 N ATOM 0 H GLN A 17 23.479 4.323 10.261 1.00 74.25 H new ATOM 0 HA GLN A 17 21.408 4.982 12.275 1.00 52.01 H new ATOM 0 HB2 GLN A 17 21.644 6.095 9.455 1.00 55.11 H new ATOM 0 HB3 GLN A 17 20.240 6.271 10.489 1.00 55.11 H new ATOM 0 HG2 GLN A 17 21.598 7.524 12.142 1.00 44.42 H new ATOM 0 HG3 GLN A 17 23.020 7.324 11.138 1.00 44.42 H new ATOM 0 HE21 GLN A 17 21.683 9.796 12.069 1.00 25.25 H new ATOM 0 HE22 GLN A 17 21.272 10.701 10.608 1.00 25.25 H new ATOM 268 N GLY A 18 19.645 3.670 10.732 1.00 14.41 N ATOM 269 CA GLY A 18 18.863 2.554 10.227 1.00 52.24 C ATOM 270 C GLY A 18 17.511 2.983 9.684 1.00 62.43 C ATOM 271 O GLY A 18 17.046 4.085 9.975 1.00 51.32 O ATOM 0 H GLY A 18 19.098 4.414 11.166 1.00 14.41 H new ATOM 0 HA2 GLY A 18 19.423 2.050 9.439 1.00 52.24 H new ATOM 0 HA3 GLY A 18 18.715 1.828 11.027 1.00 52.24 H new ATOM 275 N PRO A 19 16.861 2.124 8.877 1.00 3.12 N ATOM 276 CA PRO A 19 15.535 2.403 8.319 1.00 71.45 C ATOM 277 C PRO A 19 14.422 2.158 9.339 1.00 2.41 C ATOM 278 O PRO A 19 14.690 1.954 10.528 1.00 63.32 O ATOM 279 CB PRO A 19 15.443 1.412 7.153 1.00 51.21 C ATOM 280 CG PRO A 19 16.260 0.242 7.593 1.00 64.30 C ATOM 281 CD PRO A 19 17.371 0.802 8.451 1.00 3.12 C ATOM 0 HA PRO A 19 15.413 3.444 8.019 1.00 71.45 H new ATOM 0 HB2 PRO A 19 14.410 1.124 6.957 1.00 51.21 H new ATOM 0 HB3 PRO A 19 15.833 1.845 6.232 1.00 51.21 H new ATOM 0 HG2 PRO A 19 15.653 -0.467 8.156 1.00 64.30 H new ATOM 0 HG3 PRO A 19 16.664 -0.295 6.735 1.00 64.30 H new ATOM 0 HD2 PRO A 19 17.578 0.159 9.307 1.00 3.12 H new ATOM 0 HD3 PRO A 19 18.301 0.895 7.890 1.00 3.12 H new ATOM 289 N GLY A 20 13.180 2.162 8.870 1.00 42.51 N ATOM 290 CA GLY A 20 12.047 1.960 9.747 1.00 61.15 C ATOM 291 C GLY A 20 11.097 3.140 9.736 1.00 14.35 C ATOM 292 O GLY A 20 11.526 4.292 9.595 1.00 44.45 O ATOM 0 H GLY A 20 12.938 2.303 7.889 1.00 42.51 H new ATOM 0 HA2 GLY A 20 11.511 1.061 9.443 1.00 61.15 H new ATOM 0 HA3 GLY A 20 12.402 1.791 10.764 1.00 61.15 H new ATOM 296 N SER A 21 9.807 2.836 9.848 1.00 41.42 N ATOM 297 CA SER A 21 8.756 3.837 10.010 1.00 44.52 C ATOM 298 C SER A 21 8.435 4.537 8.687 1.00 52.52 C ATOM 299 O SER A 21 7.765 5.574 8.666 1.00 64.52 O ATOM 300 CB SER A 21 9.129 4.858 11.102 1.00 63.20 C ATOM 301 OG SER A 21 8.014 5.656 11.468 1.00 63.32 O ATOM 0 H SER A 21 9.458 1.878 9.829 1.00 41.42 H new ATOM 0 HA SER A 21 7.854 3.316 10.330 1.00 44.52 H new ATOM 0 HB2 SER A 21 9.506 4.333 11.980 1.00 63.20 H new ATOM 0 HB3 SER A 21 9.935 5.499 10.743 1.00 63.20 H new ATOM 0 HG SER A 21 7.533 5.935 10.661 1.00 63.32 H new ATOM 307 N MET A 22 8.899 3.960 7.582 1.00 33.34 N ATOM 308 CA MET A 22 8.523 4.438 6.255 1.00 54.41 C ATOM 309 C MET A 22 7.146 3.889 5.915 1.00 61.41 C ATOM 310 O MET A 22 6.322 4.563 5.280 1.00 2.03 O ATOM 311 CB MET A 22 9.552 4.003 5.203 1.00 32.40 C ATOM 312 CG MET A 22 10.956 4.522 5.481 1.00 3.01 C ATOM 313 SD MET A 22 11.079 6.320 5.362 1.00 54.33 S ATOM 314 CE MET A 22 10.622 6.590 3.650 1.00 73.14 C ATOM 0 H MET A 22 9.535 3.162 7.579 1.00 33.34 H new ATOM 0 HA MET A 22 8.497 5.528 6.255 1.00 54.41 H new ATOM 0 HB2 MET A 22 9.577 2.914 5.158 1.00 32.40 H new ATOM 0 HB3 MET A 22 9.230 4.355 4.223 1.00 32.40 H new ATOM 0 HG2 MET A 22 11.263 4.207 6.478 1.00 3.01 H new ATOM 0 HG3 MET A 22 11.652 4.068 4.775 1.00 3.01 H new ATOM 0 HE1 MET A 22 10.998 7.559 3.322 1.00 73.14 H new ATOM 0 HE2 MET A 22 11.053 5.804 3.030 1.00 73.14 H new ATOM 0 HE3 MET A 22 9.536 6.571 3.556 1.00 73.14 H new ATOM 324 N ILE A 23 6.907 2.654 6.357 1.00 73.15 N ATOM 325 CA ILE A 23 5.595 2.031 6.250 1.00 60.31 C ATOM 326 C ILE A 23 4.679 2.628 7.315 1.00 31.22 C ATOM 327 O ILE A 23 4.750 2.253 8.486 1.00 43.31 O ATOM 328 CB ILE A 23 5.657 0.489 6.448 1.00 0.34 C ATOM 329 CG1 ILE A 23 6.878 -0.115 5.735 1.00 15.40 C ATOM 330 CG2 ILE A 23 4.367 -0.166 5.956 1.00 10.03 C ATOM 331 CD1 ILE A 23 6.945 0.167 4.251 1.00 53.31 C ATOM 0 H ILE A 23 7.614 2.064 6.796 1.00 73.15 H new ATOM 0 HA ILE A 23 5.215 2.223 5.247 1.00 60.31 H new ATOM 0 HB ILE A 23 5.762 0.291 7.515 1.00 0.34 H new ATOM 0 HG12 ILE A 23 7.783 0.269 6.205 1.00 15.40 H new ATOM 0 HG13 ILE A 23 6.873 -1.194 5.886 1.00 15.40 H new ATOM 0 HG21 ILE A 23 4.428 -1.244 6.102 1.00 10.03 H new ATOM 0 HG22 ILE A 23 3.521 0.229 6.518 1.00 10.03 H new ATOM 0 HG23 ILE A 23 4.231 0.049 4.896 1.00 10.03 H new ATOM 0 HD11 ILE A 23 7.838 -0.297 3.832 1.00 53.31 H new ATOM 0 HD12 ILE A 23 6.061 -0.242 3.763 1.00 53.31 H new ATOM 0 HD13 ILE A 23 6.985 1.244 4.087 1.00 53.31 H new ATOM 343 N GLU A 24 3.844 3.570 6.907 1.00 21.11 N ATOM 344 CA GLU A 24 2.961 4.283 7.828 1.00 11.14 C ATOM 345 C GLU A 24 1.901 3.338 8.407 1.00 2.34 C ATOM 346 O GLU A 24 1.664 2.257 7.868 1.00 73.43 O ATOM 347 CB GLU A 24 2.299 5.460 7.088 1.00 21.12 C ATOM 348 CG GLU A 24 1.431 6.351 7.968 1.00 61.33 C ATOM 349 CD GLU A 24 2.213 6.991 9.099 1.00 32.03 C ATOM 350 OE1 GLU A 24 2.906 7.994 8.852 1.00 63.34 O ATOM 351 OE2 GLU A 24 2.136 6.494 10.238 1.00 71.42 O ATOM 0 H GLU A 24 3.756 3.864 5.934 1.00 21.11 H new ATOM 0 HA GLU A 24 3.548 4.669 8.661 1.00 11.14 H new ATOM 0 HB2 GLU A 24 3.078 6.070 6.631 1.00 21.12 H new ATOM 0 HB3 GLU A 24 1.687 5.065 6.277 1.00 21.12 H new ATOM 0 HG2 GLU A 24 0.980 7.132 7.356 1.00 61.33 H new ATOM 0 HG3 GLU A 24 0.615 5.760 8.384 1.00 61.33 H new ATOM 358 N GLN A 25 1.283 3.735 9.516 1.00 50.01 N ATOM 359 CA GLN A 25 0.206 2.959 10.124 1.00 22.21 C ATOM 360 C GLN A 25 -1.039 3.833 10.307 1.00 43.44 C ATOM 361 O GLN A 25 -0.985 4.884 10.946 1.00 73.05 O ATOM 362 CB GLN A 25 0.649 2.338 11.464 1.00 23.15 C ATOM 363 CG GLN A 25 1.176 3.334 12.498 1.00 11.31 C ATOM 364 CD GLN A 25 2.568 3.859 12.182 1.00 24.45 C ATOM 365 OE1 GLN A 25 3.385 3.172 11.562 1.00 4.45 O ATOM 366 NE2 GLN A 25 2.852 5.077 12.618 1.00 43.10 N ATOM 0 H GLN A 25 1.512 4.595 10.015 1.00 50.01 H new ATOM 0 HA GLN A 25 -0.043 2.138 9.452 1.00 22.21 H new ATOM 0 HB2 GLN A 25 -0.197 1.803 11.896 1.00 23.15 H new ATOM 0 HB3 GLN A 25 1.426 1.599 11.265 1.00 23.15 H new ATOM 0 HG2 GLN A 25 0.486 4.175 12.565 1.00 11.31 H new ATOM 0 HG3 GLN A 25 1.191 2.855 13.477 1.00 11.31 H new ATOM 0 HE21 GLN A 25 2.149 5.613 13.127 1.00 43.10 H new ATOM 0 HE22 GLN A 25 3.773 5.479 12.445 1.00 43.10 H new ATOM 375 N ILE A 26 -2.153 3.396 9.723 1.00 31.10 N ATOM 376 CA ILE A 26 -3.408 4.151 9.736 1.00 73.43 C ATOM 377 C ILE A 26 -4.601 3.220 9.965 1.00 65.24 C ATOM 378 O ILE A 26 -4.434 2.008 10.144 1.00 64.43 O ATOM 379 CB ILE A 26 -3.626 4.924 8.405 1.00 45.23 C ATOM 380 CG1 ILE A 26 -3.607 3.955 7.207 1.00 13.04 C ATOM 381 CG2 ILE A 26 -2.582 6.028 8.232 1.00 3.30 C ATOM 382 CD1 ILE A 26 -3.889 4.625 5.878 1.00 11.40 C ATOM 0 H ILE A 26 -2.213 2.507 9.226 1.00 31.10 H new ATOM 0 HA ILE A 26 -3.336 4.868 10.554 1.00 73.43 H new ATOM 0 HB ILE A 26 -4.606 5.398 8.445 1.00 45.23 H new ATOM 0 HG12 ILE A 26 -2.632 3.469 7.159 1.00 13.04 H new ATOM 0 HG13 ILE A 26 -4.346 3.171 7.373 1.00 13.04 H new ATOM 0 HG21 ILE A 26 -2.759 6.552 7.293 1.00 3.30 H new ATOM 0 HG22 ILE A 26 -2.657 6.733 9.060 1.00 3.30 H new ATOM 0 HG23 ILE A 26 -1.585 5.587 8.220 1.00 3.30 H new ATOM 0 HD11 ILE A 26 -3.859 3.881 5.082 1.00 11.40 H new ATOM 0 HD12 ILE A 26 -4.876 5.087 5.906 1.00 11.40 H new ATOM 0 HD13 ILE A 26 -3.135 5.389 5.689 1.00 11.40 H new ATOM 394 N GLY A 27 -5.797 3.803 9.990 1.00 13.43 N ATOM 395 CA GLY A 27 -7.019 3.029 10.114 1.00 4.51 C ATOM 396 C GLY A 27 -8.035 3.402 9.055 1.00 64.21 C ATOM 397 O GLY A 27 -7.673 3.956 8.018 1.00 11.45 O ATOM 0 H GLY A 27 -5.941 4.811 9.926 1.00 13.43 H new ATOM 0 HA2 GLY A 27 -6.786 1.967 10.035 1.00 4.51 H new ATOM 0 HA3 GLY A 27 -7.450 3.188 11.102 1.00 4.51 H new ATOM 401 N ASP A 28 -9.309 3.124 9.325 1.00 63.11 N ATOM 402 CA ASP A 28 -10.383 3.351 8.354 1.00 71.33 C ATOM 403 C ASP A 28 -10.603 4.842 8.116 1.00 52.44 C ATOM 404 O ASP A 28 -10.503 5.325 6.987 1.00 73.21 O ATOM 405 CB ASP A 28 -11.687 2.697 8.840 1.00 61.23 C ATOM 406 CG ASP A 28 -12.894 3.104 8.007 1.00 13.14 C ATOM 407 OD1 ASP A 28 -12.967 2.721 6.822 1.00 65.42 O ATOM 408 OD2 ASP A 28 -13.779 3.809 8.539 1.00 50.24 O ATOM 0 H ASP A 28 -9.626 2.738 10.214 1.00 63.11 H new ATOM 0 HA ASP A 28 -10.085 2.895 7.410 1.00 71.33 H new ATOM 0 HB2 ASP A 28 -11.578 1.613 8.809 1.00 61.23 H new ATOM 0 HB3 ASP A 28 -11.860 2.971 9.881 1.00 61.23 H new ATOM 413 N SER A 29 -10.875 5.569 9.193 1.00 45.22 N ATOM 414 CA SER A 29 -11.143 7.001 9.111 1.00 52.40 C ATOM 415 C SER A 29 -9.926 7.767 8.583 1.00 64.31 C ATOM 416 O SER A 29 -10.049 8.902 8.113 1.00 61.42 O ATOM 417 CB SER A 29 -11.559 7.531 10.489 1.00 22.13 C ATOM 418 OG SER A 29 -12.723 6.863 10.961 1.00 35.21 O ATOM 0 H SER A 29 -10.916 5.189 10.138 1.00 45.22 H new ATOM 0 HA SER A 29 -11.960 7.158 8.406 1.00 52.40 H new ATOM 0 HB2 SER A 29 -10.743 7.392 11.198 1.00 22.13 H new ATOM 0 HB3 SER A 29 -11.749 8.603 10.428 1.00 22.13 H new ATOM 0 HG SER A 29 -12.968 7.216 11.842 1.00 35.21 H new ATOM 424 N GLU A 30 -8.752 7.145 8.663 1.00 74.03 N ATOM 425 CA GLU A 30 -7.520 7.753 8.164 1.00 44.22 C ATOM 426 C GLU A 30 -7.208 7.269 6.748 1.00 41.44 C ATOM 427 O GLU A 30 -6.487 7.935 6.006 1.00 33.25 O ATOM 428 CB GLU A 30 -6.332 7.427 9.086 1.00 55.04 C ATOM 429 CG GLU A 30 -6.482 7.914 10.527 1.00 23.11 C ATOM 430 CD GLU A 30 -7.584 7.194 11.293 1.00 53.31 C ATOM 431 OE1 GLU A 30 -7.700 5.960 11.155 1.00 14.15 O ATOM 432 OE2 GLU A 30 -8.323 7.854 12.050 1.00 14.43 O ATOM 0 H GLU A 30 -8.627 6.218 9.070 1.00 74.03 H new ATOM 0 HA GLU A 30 -7.672 8.832 8.148 1.00 44.22 H new ATOM 0 HB2 GLU A 30 -6.185 6.347 9.097 1.00 55.04 H new ATOM 0 HB3 GLU A 30 -5.430 7.867 8.661 1.00 55.04 H new ATOM 0 HG2 GLU A 30 -5.536 7.777 11.050 1.00 23.11 H new ATOM 0 HG3 GLU A 30 -6.691 8.984 10.522 1.00 23.11 H new ATOM 439 N PHE A 31 -7.759 6.115 6.378 1.00 33.41 N ATOM 440 CA PHE A 31 -7.456 5.477 5.094 1.00 53.33 C ATOM 441 C PHE A 31 -7.746 6.413 3.925 1.00 55.42 C ATOM 442 O PHE A 31 -6.834 6.813 3.193 1.00 13.51 O ATOM 443 CB PHE A 31 -8.279 4.187 4.958 1.00 73.44 C ATOM 444 CG PHE A 31 -8.108 3.463 3.644 1.00 21.15 C ATOM 445 CD1 PHE A 31 -6.991 2.674 3.410 1.00 3.12 C ATOM 446 CD2 PHE A 31 -9.074 3.562 2.651 1.00 63.55 C ATOM 447 CE1 PHE A 31 -6.843 2.000 2.212 1.00 33.31 C ATOM 448 CE2 PHE A 31 -8.927 2.893 1.452 1.00 33.43 C ATOM 449 CZ PHE A 31 -7.811 2.112 1.234 1.00 2.21 C ATOM 0 H PHE A 31 -8.423 5.597 6.953 1.00 33.41 H new ATOM 0 HA PHE A 31 -6.393 5.238 5.070 1.00 53.33 H new ATOM 0 HB2 PHE A 31 -8.005 3.511 5.768 1.00 73.44 H new ATOM 0 HB3 PHE A 31 -9.334 4.430 5.088 1.00 73.44 H new ATOM 0 HD1 PHE A 31 -6.230 2.585 4.171 1.00 3.12 H new ATOM 0 HD2 PHE A 31 -9.951 4.170 2.819 1.00 63.55 H new ATOM 0 HE1 PHE A 31 -5.971 1.386 2.041 1.00 33.31 H new ATOM 0 HE2 PHE A 31 -9.684 2.981 0.687 1.00 33.43 H new ATOM 0 HZ PHE A 31 -7.694 1.588 0.297 1.00 2.21 H new ATOM 459 N ASP A 32 -9.009 6.792 3.786 1.00 35.21 N ATOM 460 CA ASP A 32 -9.438 7.650 2.686 1.00 4.14 C ATOM 461 C ASP A 32 -8.687 8.972 2.722 1.00 3.23 C ATOM 462 O ASP A 32 -8.168 9.437 1.707 1.00 25.42 O ATOM 463 CB ASP A 32 -10.947 7.908 2.763 1.00 25.24 C ATOM 464 CG ASP A 32 -11.776 6.636 2.693 1.00 51.14 C ATOM 465 OD1 ASP A 32 -12.048 6.039 3.757 1.00 74.43 O ATOM 466 OD2 ASP A 32 -12.174 6.238 1.577 1.00 22.00 O ATOM 0 H ASP A 32 -9.758 6.519 4.422 1.00 35.21 H new ATOM 0 HA ASP A 32 -9.215 7.141 1.748 1.00 4.14 H new ATOM 0 HB2 ASP A 32 -11.173 8.430 3.693 1.00 25.24 H new ATOM 0 HB3 ASP A 32 -11.238 8.569 1.947 1.00 25.24 H new ATOM 471 N ASN A 33 -8.626 9.551 3.913 1.00 52.40 N ATOM 472 CA ASN A 33 -7.975 10.839 4.139 1.00 72.31 C ATOM 473 C ASN A 33 -6.535 10.832 3.632 1.00 23.21 C ATOM 474 O ASN A 33 -6.152 11.658 2.805 1.00 31.11 O ATOM 475 CB ASN A 33 -8.001 11.173 5.638 1.00 62.33 C ATOM 476 CG ASN A 33 -9.412 11.396 6.166 1.00 73.20 C ATOM 477 OD1 ASN A 33 -10.382 10.857 5.629 1.00 41.42 O ATOM 478 ND2 ASN A 33 -9.536 12.166 7.237 1.00 5.43 N ATOM 0 H ASN A 33 -9.028 9.140 4.756 1.00 52.40 H new ATOM 0 HA ASN A 33 -8.522 11.600 3.582 1.00 72.31 H new ATOM 0 HB2 ASN A 33 -7.533 10.361 6.195 1.00 62.33 H new ATOM 0 HB3 ASN A 33 -7.405 12.068 5.817 1.00 62.33 H new ATOM 0 HD21 ASN A 33 -10.457 12.329 7.644 1.00 5.43 H new ATOM 0 HD22 ASN A 33 -8.711 12.596 7.655 1.00 5.43 H new ATOM 485 N LYS A 34 -5.749 9.883 4.123 1.00 32.30 N ATOM 486 CA LYS A 34 -4.333 9.806 3.788 1.00 14.24 C ATOM 487 C LYS A 34 -4.124 9.494 2.308 1.00 23.41 C ATOM 488 O LYS A 34 -3.257 10.092 1.666 1.00 73.35 O ATOM 489 CB LYS A 34 -3.631 8.760 4.669 1.00 43.12 C ATOM 490 CG LYS A 34 -3.488 9.189 6.130 1.00 64.52 C ATOM 491 CD LYS A 34 -2.578 10.410 6.264 1.00 11.55 C ATOM 492 CE LYS A 34 -2.420 10.870 7.710 1.00 71.15 C ATOM 493 NZ LYS A 34 -1.674 9.886 8.539 1.00 41.14 N ATOM 0 H LYS A 34 -6.070 9.152 4.758 1.00 32.30 H new ATOM 0 HA LYS A 34 -3.889 10.782 3.983 1.00 14.24 H new ATOM 0 HB2 LYS A 34 -4.191 7.826 4.626 1.00 43.12 H new ATOM 0 HB3 LYS A 34 -2.641 8.557 4.260 1.00 43.12 H new ATOM 0 HG2 LYS A 34 -4.471 9.418 6.542 1.00 64.52 H new ATOM 0 HG3 LYS A 34 -3.082 8.364 6.715 1.00 64.52 H new ATOM 0 HD2 LYS A 34 -1.597 10.174 5.853 1.00 11.55 H new ATOM 0 HD3 LYS A 34 -2.984 11.228 5.669 1.00 11.55 H new ATOM 0 HE2 LYS A 34 -1.898 11.827 7.729 1.00 71.15 H new ATOM 0 HE3 LYS A 34 -3.405 11.035 8.146 1.00 71.15 H new ATOM 0 HZ1 LYS A 34 -1.534 10.273 9.494 1.00 41.14 H new ATOM 0 HZ2 LYS A 34 -2.217 9.001 8.600 1.00 41.14 H new ATOM 0 HZ3 LYS A 34 -0.749 9.695 8.103 1.00 41.14 H new ATOM 507 N VAL A 35 -4.929 8.580 1.768 1.00 12.24 N ATOM 508 CA VAL A 35 -4.784 8.164 0.371 1.00 64.11 C ATOM 509 C VAL A 35 -5.201 9.279 -0.598 1.00 23.52 C ATOM 510 O VAL A 35 -4.684 9.361 -1.710 1.00 12.53 O ATOM 511 CB VAL A 35 -5.588 6.868 0.070 1.00 60.21 C ATOM 512 CG1 VAL A 35 -5.465 6.478 -1.405 1.00 5.12 C ATOM 513 CG2 VAL A 35 -5.110 5.725 0.969 1.00 24.35 C ATOM 0 H VAL A 35 -5.684 8.115 2.272 1.00 12.24 H new ATOM 0 HA VAL A 35 -3.726 7.953 0.217 1.00 64.11 H new ATOM 0 HB VAL A 35 -6.640 7.062 0.281 1.00 60.21 H new ATOM 0 HG11 VAL A 35 -6.036 5.568 -1.590 1.00 5.12 H new ATOM 0 HG12 VAL A 35 -5.854 7.283 -2.028 1.00 5.12 H new ATOM 0 HG13 VAL A 35 -4.417 6.304 -1.649 1.00 5.12 H new ATOM 0 HG21 VAL A 35 -5.682 4.824 0.747 1.00 24.35 H new ATOM 0 HG22 VAL A 35 -4.052 5.537 0.787 1.00 24.35 H new ATOM 0 HG23 VAL A 35 -5.255 5.999 2.014 1.00 24.35 H new ATOM 523 N THR A 36 -6.132 10.139 -0.182 1.00 73.25 N ATOM 524 CA THR A 36 -6.573 11.251 -1.027 1.00 52.11 C ATOM 525 C THR A 36 -5.661 12.468 -0.858 1.00 22.02 C ATOM 526 O THR A 36 -5.442 13.233 -1.802 1.00 25.25 O ATOM 527 CB THR A 36 -8.034 11.659 -0.723 1.00 34.45 C ATOM 528 OG1 THR A 36 -8.182 11.951 0.671 1.00 52.22 O ATOM 529 CG2 THR A 36 -9.009 10.555 -1.130 1.00 74.13 C ATOM 0 H THR A 36 -6.592 10.089 0.727 1.00 73.25 H new ATOM 0 HA THR A 36 -6.518 10.901 -2.058 1.00 52.11 H new ATOM 0 HB THR A 36 -8.265 12.551 -1.305 1.00 34.45 H new ATOM 0 HG1 THR A 36 -8.307 11.116 1.169 1.00 52.22 H new ATOM 0 HG21 THR A 36 -10.028 10.869 -0.905 1.00 74.13 H new ATOM 0 HG22 THR A 36 -8.916 10.363 -2.199 1.00 74.13 H new ATOM 0 HG23 THR A 36 -8.779 9.644 -0.577 1.00 74.13 H new ATOM 537 N SER A 37 -5.105 12.620 0.344 1.00 63.13 N ATOM 538 CA SER A 37 -4.265 13.771 0.685 1.00 31.41 C ATOM 539 C SER A 37 -2.860 13.633 0.081 1.00 75.23 C ATOM 540 O SER A 37 -1.957 14.402 0.407 1.00 31.01 O ATOM 541 CB SER A 37 -4.185 13.921 2.214 1.00 1.53 C ATOM 542 OG SER A 37 -3.602 15.161 2.593 1.00 44.22 O ATOM 0 H SER A 37 -5.223 11.953 1.106 1.00 63.13 H new ATOM 0 HA SER A 37 -4.718 14.667 0.261 1.00 31.41 H new ATOM 0 HB2 SER A 37 -5.186 13.845 2.640 1.00 1.53 H new ATOM 0 HB3 SER A 37 -3.599 13.102 2.629 1.00 1.53 H new ATOM 0 HG SER A 37 -2.853 15.366 1.996 1.00 44.22 H new ATOM 548 N CYS A 38 -2.686 12.661 -0.811 1.00 53.43 N ATOM 549 CA CYS A 38 -1.403 12.422 -1.471 1.00 45.41 C ATOM 550 C CYS A 38 -1.092 13.495 -2.519 1.00 73.34 C ATOM 551 O CYS A 38 -0.063 13.435 -3.192 1.00 21.24 O ATOM 552 CB CYS A 38 -1.427 11.055 -2.141 1.00 33.23 C ATOM 553 SG CYS A 38 -2.863 10.807 -3.202 1.00 62.14 S ATOM 0 H CYS A 38 -3.426 12.019 -1.096 1.00 53.43 H new ATOM 0 HA CYS A 38 -0.623 12.460 -0.710 1.00 45.41 H new ATOM 0 HB2 CYS A 38 -0.520 10.932 -2.734 1.00 33.23 H new ATOM 0 HB3 CYS A 38 -1.413 10.281 -1.373 1.00 33.23 H new ATOM 0 HG CYS A 38 -3.652 9.924 -2.665 1.00 62.14 H new ATOM 559 N ASN A 39 -2.004 14.449 -2.671 1.00 10.11 N ATOM 560 CA ASN A 39 -1.845 15.569 -3.602 1.00 25.20 C ATOM 561 C ASN A 39 -1.960 15.118 -5.063 1.00 55.34 C ATOM 562 O ASN A 39 -3.012 15.297 -5.683 1.00 71.04 O ATOM 563 CB ASN A 39 -0.526 16.329 -3.358 1.00 10.53 C ATOM 564 CG ASN A 39 -0.306 17.468 -4.345 1.00 51.14 C ATOM 565 OD1 ASN A 39 -0.812 18.576 -4.163 1.00 11.34 O ATOM 566 ND2 ASN A 39 0.474 17.213 -5.385 1.00 25.34 N ATOM 0 H ASN A 39 -2.881 14.470 -2.150 1.00 10.11 H new ATOM 0 HA ASN A 39 -2.666 16.260 -3.408 1.00 25.20 H new ATOM 0 HB2 ASN A 39 -0.525 16.729 -2.344 1.00 10.53 H new ATOM 0 HB3 ASN A 39 0.308 15.630 -3.426 1.00 10.53 H new ATOM 0 HD21 ASN A 39 0.672 17.946 -6.066 1.00 25.34 H new ATOM 0 HD22 ASN A 39 0.877 16.284 -5.505 1.00 25.34 H new ATOM 573 N ASP A 40 -0.896 14.532 -5.624 1.00 55.24 N ATOM 574 CA ASP A 40 -0.922 14.138 -7.037 1.00 32.32 C ATOM 575 C ASP A 40 0.167 13.122 -7.382 1.00 74.42 C ATOM 576 O ASP A 40 1.304 13.243 -6.932 1.00 53.53 O ATOM 577 CB ASP A 40 -0.779 15.373 -7.936 1.00 53.14 C ATOM 578 CG ASP A 40 -1.013 15.044 -9.399 1.00 30.55 C ATOM 579 OD1 ASP A 40 -2.172 14.749 -9.762 1.00 74.33 O ATOM 580 OD2 ASP A 40 -0.049 15.066 -10.186 1.00 42.35 O ATOM 0 H ASP A 40 -0.025 14.324 -5.135 1.00 55.24 H new ATOM 0 HA ASP A 40 -1.885 13.660 -7.214 1.00 32.32 H new ATOM 0 HB2 ASP A 40 -1.489 16.136 -7.618 1.00 53.14 H new ATOM 0 HB3 ASP A 40 0.218 15.796 -7.815 1.00 53.14 H new ATOM 585 N ASN A 41 -0.214 12.114 -8.175 1.00 1.50 N ATOM 586 CA ASN A 41 0.716 11.114 -8.732 1.00 50.25 C ATOM 587 C ASN A 41 1.438 10.288 -7.666 1.00 3.44 C ATOM 588 O ASN A 41 2.271 9.444 -8.002 1.00 43.42 O ATOM 589 CB ASN A 41 1.748 11.772 -9.670 1.00 4.41 C ATOM 590 CG ASN A 41 1.143 12.216 -10.993 1.00 34.33 C ATOM 591 OD1 ASN A 41 0.155 11.644 -11.461 1.00 60.32 O ATOM 592 ND2 ASN A 41 1.735 13.222 -11.616 1.00 23.15 N ATOM 0 H ASN A 41 -1.184 11.965 -8.453 1.00 1.50 H new ATOM 0 HA ASN A 41 0.093 10.425 -9.301 1.00 50.25 H new ATOM 0 HB2 ASN A 41 2.189 12.634 -9.170 1.00 4.41 H new ATOM 0 HB3 ASN A 41 2.557 11.068 -9.864 1.00 4.41 H new ATOM 0 HD21 ASN A 41 1.376 13.548 -12.513 1.00 23.15 H new ATOM 0 HD22 ASN A 41 2.550 13.671 -11.199 1.00 23.15 H new ATOM 599 N ILE A 42 1.124 10.507 -6.394 1.00 2.32 N ATOM 600 CA ILE A 42 1.744 9.738 -5.326 1.00 74.34 C ATOM 601 C ILE A 42 1.065 8.375 -5.204 1.00 70.32 C ATOM 602 O ILE A 42 -0.127 8.287 -4.888 1.00 54.01 O ATOM 603 CB ILE A 42 1.687 10.480 -3.969 1.00 2.33 C ATOM 604 CG1 ILE A 42 2.348 11.867 -4.083 1.00 24.44 C ATOM 605 CG2 ILE A 42 2.354 9.648 -2.871 1.00 75.52 C ATOM 606 CD1 ILE A 42 3.800 11.831 -4.513 1.00 74.01 C ATOM 0 H ILE A 42 0.449 11.205 -6.081 1.00 2.32 H new ATOM 0 HA ILE A 42 2.795 9.604 -5.584 1.00 74.34 H new ATOM 0 HB ILE A 42 0.641 10.622 -3.698 1.00 2.33 H new ATOM 0 HG12 ILE A 42 1.784 12.468 -4.797 1.00 24.44 H new ATOM 0 HG13 ILE A 42 2.279 12.370 -3.118 1.00 24.44 H new ATOM 0 HG21 ILE A 42 2.304 10.187 -1.925 1.00 75.52 H new ATOM 0 HG22 ILE A 42 1.837 8.693 -2.773 1.00 75.52 H new ATOM 0 HG23 ILE A 42 3.397 9.470 -3.132 1.00 75.52 H new ATOM 0 HD11 ILE A 42 4.188 12.848 -4.568 1.00 74.01 H new ATOM 0 HD12 ILE A 42 4.380 11.260 -3.788 1.00 74.01 H new ATOM 0 HD13 ILE A 42 3.878 11.359 -5.493 1.00 74.01 H new ATOM 618 N LEU A 43 1.822 7.323 -5.493 1.00 60.13 N ATOM 619 CA LEU A 43 1.319 5.958 -5.429 1.00 65.33 C ATOM 620 C LEU A 43 1.303 5.483 -3.975 1.00 62.03 C ATOM 621 O LEU A 43 2.349 5.376 -3.325 1.00 42.14 O ATOM 622 CB LEU A 43 2.191 5.032 -6.302 1.00 34.40 C ATOM 623 CG LEU A 43 1.462 3.846 -6.967 1.00 60.22 C ATOM 624 CD1 LEU A 43 2.426 3.049 -7.840 1.00 74.31 C ATOM 625 CD2 LEU A 43 0.800 2.938 -5.931 1.00 11.43 C ATOM 0 H LEU A 43 2.799 7.393 -5.777 1.00 60.13 H new ATOM 0 HA LEU A 43 0.300 5.928 -5.815 1.00 65.33 H new ATOM 0 HB2 LEU A 43 2.654 5.633 -7.085 1.00 34.40 H new ATOM 0 HB3 LEU A 43 2.998 4.637 -5.684 1.00 34.40 H new ATOM 0 HG LEU A 43 0.673 4.255 -7.598 1.00 60.22 H new ATOM 0 HD11 LEU A 43 1.895 2.216 -8.301 1.00 74.31 H new ATOM 0 HD12 LEU A 43 2.832 3.696 -8.618 1.00 74.31 H new ATOM 0 HD13 LEU A 43 3.240 2.665 -7.226 1.00 74.31 H new ATOM 0 HD21 LEU A 43 0.297 2.114 -6.438 1.00 11.43 H new ATOM 0 HD22 LEU A 43 1.559 2.540 -5.258 1.00 11.43 H new ATOM 0 HD23 LEU A 43 0.071 3.511 -5.358 1.00 11.43 H new ATOM 637 N ILE A 44 0.105 5.217 -3.476 1.00 30.51 N ATOM 638 CA ILE A 44 -0.092 4.746 -2.115 1.00 24.34 C ATOM 639 C ILE A 44 -0.279 3.230 -2.103 1.00 53.20 C ATOM 640 O ILE A 44 -1.202 2.709 -2.732 1.00 13.22 O ATOM 641 CB ILE A 44 -1.337 5.403 -1.465 1.00 20.00 C ATOM 642 CG1 ILE A 44 -1.310 6.931 -1.643 1.00 32.51 C ATOM 643 CG2 ILE A 44 -1.409 5.038 0.015 1.00 74.40 C ATOM 644 CD1 ILE A 44 -0.251 7.630 -0.819 1.00 60.31 C ATOM 0 H ILE A 44 -0.760 5.322 -4.006 1.00 30.51 H new ATOM 0 HA ILE A 44 0.795 5.021 -1.543 1.00 24.34 H new ATOM 0 HB ILE A 44 -2.227 5.023 -1.966 1.00 20.00 H new ATOM 0 HG12 ILE A 44 -1.146 7.161 -2.696 1.00 32.51 H new ATOM 0 HG13 ILE A 44 -2.287 7.334 -1.377 1.00 32.51 H new ATOM 0 HG21 ILE A 44 -2.287 5.504 0.462 1.00 74.40 H new ATOM 0 HG22 ILE A 44 -1.480 3.955 0.120 1.00 74.40 H new ATOM 0 HG23 ILE A 44 -0.512 5.393 0.521 1.00 74.40 H new ATOM 0 HD11 ILE A 44 -0.298 8.704 -1.001 1.00 60.31 H new ATOM 0 HD12 ILE A 44 -0.425 7.434 0.239 1.00 60.31 H new ATOM 0 HD13 ILE A 44 0.734 7.257 -1.100 1.00 60.31 H new ATOM 656 N LEU A 45 0.604 2.526 -1.403 1.00 32.15 N ATOM 657 CA LEU A 45 0.471 1.080 -1.221 1.00 51.23 C ATOM 658 C LEU A 45 0.054 0.799 0.214 1.00 30.42 C ATOM 659 O LEU A 45 0.812 1.073 1.138 1.00 30.43 O ATOM 660 CB LEU A 45 1.785 0.336 -1.529 1.00 74.01 C ATOM 661 CG LEU A 45 2.301 0.440 -2.976 1.00 60.22 C ATOM 662 CD1 LEU A 45 2.878 1.826 -3.258 1.00 2.53 C ATOM 663 CD2 LEU A 45 3.339 -0.648 -3.254 1.00 4.13 C ATOM 0 H LEU A 45 1.423 2.932 -0.950 1.00 32.15 H new ATOM 0 HA LEU A 45 -0.284 0.719 -1.920 1.00 51.23 H new ATOM 0 HB2 LEU A 45 2.558 0.715 -0.861 1.00 74.01 H new ATOM 0 HB3 LEU A 45 1.646 -0.718 -1.289 1.00 74.01 H new ATOM 0 HG LEU A 45 1.456 0.290 -3.648 1.00 60.22 H new ATOM 0 HD11 LEU A 45 3.234 1.869 -4.287 1.00 2.53 H new ATOM 0 HD12 LEU A 45 2.104 2.579 -3.110 1.00 2.53 H new ATOM 0 HD13 LEU A 45 3.708 2.020 -2.578 1.00 2.53 H new ATOM 0 HD21 LEU A 45 3.693 -0.559 -4.281 1.00 4.13 H new ATOM 0 HD22 LEU A 45 4.179 -0.533 -2.570 1.00 4.13 H new ATOM 0 HD23 LEU A 45 2.886 -1.629 -3.110 1.00 4.13 H new ATOM 675 N VAL A 46 -1.148 0.281 0.408 1.00 21.42 N ATOM 676 CA VAL A 46 -1.644 -0.003 1.750 1.00 51.21 C ATOM 677 C VAL A 46 -1.607 -1.500 2.040 1.00 12.35 C ATOM 678 O VAL A 46 -2.424 -2.264 1.524 1.00 42.21 O ATOM 679 CB VAL A 46 -3.088 0.528 1.944 1.00 31.11 C ATOM 680 CG1 VAL A 46 -3.573 0.282 3.371 1.00 45.35 C ATOM 681 CG2 VAL A 46 -3.170 2.015 1.596 1.00 32.45 C ATOM 0 H VAL A 46 -1.798 0.048 -0.342 1.00 21.42 H new ATOM 0 HA VAL A 46 -0.987 0.512 2.451 1.00 51.21 H new ATOM 0 HB VAL A 46 -3.742 -0.019 1.265 1.00 31.11 H new ATOM 0 HG11 VAL A 46 -4.588 0.663 3.481 1.00 45.35 H new ATOM 0 HG12 VAL A 46 -3.563 -0.788 3.579 1.00 45.35 H new ATOM 0 HG13 VAL A 46 -2.915 0.795 4.072 1.00 45.35 H new ATOM 0 HG21 VAL A 46 -4.192 2.366 1.739 1.00 32.45 H new ATOM 0 HG22 VAL A 46 -2.498 2.578 2.244 1.00 32.45 H new ATOM 0 HG23 VAL A 46 -2.878 2.162 0.556 1.00 32.45 H new ATOM 691 N ASP A 47 -0.639 -1.906 2.847 1.00 14.31 N ATOM 692 CA ASP A 47 -0.563 -3.277 3.344 1.00 33.43 C ATOM 693 C ASP A 47 -1.516 -3.444 4.520 1.00 34.33 C ATOM 694 O ASP A 47 -1.777 -2.486 5.248 1.00 32.21 O ATOM 695 CB ASP A 47 0.880 -3.600 3.776 1.00 3.52 C ATOM 696 CG ASP A 47 0.999 -4.899 4.575 1.00 61.21 C ATOM 697 OD1 ASP A 47 0.481 -5.941 4.114 1.00 25.50 O ATOM 698 OD2 ASP A 47 1.604 -4.872 5.674 1.00 1.25 O ATOM 0 H ASP A 47 0.113 -1.301 3.176 1.00 14.31 H new ATOM 0 HA ASP A 47 -0.851 -3.967 2.551 1.00 33.43 H new ATOM 0 HB2 ASP A 47 1.510 -3.669 2.889 1.00 3.52 H new ATOM 0 HB3 ASP A 47 1.264 -2.776 4.377 1.00 3.52 H new ATOM 703 N PHE A 48 -2.076 -4.634 4.687 1.00 12.04 N ATOM 704 CA PHE A 48 -2.863 -4.916 5.881 1.00 43.54 C ATOM 705 C PHE A 48 -1.924 -5.097 7.070 1.00 71.32 C ATOM 706 O PHE A 48 -1.808 -4.210 7.922 1.00 12.23 O ATOM 707 CB PHE A 48 -3.748 -6.156 5.697 1.00 1.04 C ATOM 708 CG PHE A 48 -4.920 -5.950 4.764 1.00 24.43 C ATOM 709 CD1 PHE A 48 -5.399 -4.674 4.486 1.00 10.33 C ATOM 710 CD2 PHE A 48 -5.551 -7.037 4.182 1.00 32.30 C ATOM 711 CE1 PHE A 48 -6.483 -4.494 3.646 1.00 12.11 C ATOM 712 CE2 PHE A 48 -6.631 -6.859 3.340 1.00 51.32 C ATOM 713 CZ PHE A 48 -7.098 -5.588 3.072 1.00 44.50 C ATOM 0 H PHE A 48 -2.003 -5.407 4.025 1.00 12.04 H new ATOM 0 HA PHE A 48 -3.529 -4.073 6.065 1.00 43.54 H new ATOM 0 HB2 PHE A 48 -3.135 -6.973 5.316 1.00 1.04 H new ATOM 0 HB3 PHE A 48 -4.124 -6.467 6.671 1.00 1.04 H new ATOM 0 HD1 PHE A 48 -4.919 -3.815 4.931 1.00 10.33 H new ATOM 0 HD2 PHE A 48 -5.194 -8.035 4.389 1.00 32.30 H new ATOM 0 HE1 PHE A 48 -6.848 -3.499 3.440 1.00 12.11 H new ATOM 0 HE2 PHE A 48 -7.111 -7.716 2.890 1.00 51.32 H new ATOM 0 HZ PHE A 48 -7.943 -5.450 2.414 1.00 44.50 H new ATOM 723 N TRP A 49 -1.255 -6.248 7.099 1.00 64.50 N ATOM 724 CA TRP A 49 -0.237 -6.556 8.095 1.00 73.42 C ATOM 725 C TRP A 49 0.309 -7.958 7.833 1.00 74.34 C ATOM 726 O TRP A 49 -0.448 -8.873 7.495 1.00 4.12 O ATOM 727 CB TRP A 49 -0.774 -6.440 9.539 1.00 44.14 C ATOM 728 CG TRP A 49 -1.882 -7.399 9.899 1.00 60.11 C ATOM 729 CD1 TRP A 49 -1.747 -8.696 10.304 1.00 33.44 C ATOM 730 CD2 TRP A 49 -3.291 -7.123 9.916 1.00 11.01 C ATOM 731 NE1 TRP A 49 -2.980 -9.247 10.556 1.00 0.34 N ATOM 732 CE2 TRP A 49 -3.942 -8.303 10.322 1.00 5.21 C ATOM 733 CE3 TRP A 49 -4.063 -5.999 9.616 1.00 22.11 C ATOM 734 CZ2 TRP A 49 -5.326 -8.387 10.445 1.00 54.23 C ATOM 735 CZ3 TRP A 49 -5.436 -6.082 9.738 1.00 23.40 C ATOM 736 CH2 TRP A 49 -6.055 -7.269 10.145 1.00 4.10 C ATOM 0 H TRP A 49 -1.407 -6.998 6.425 1.00 64.50 H new ATOM 0 HA TRP A 49 0.563 -5.822 8.003 1.00 73.42 H new ATOM 0 HB2 TRP A 49 0.055 -6.594 10.230 1.00 44.14 H new ATOM 0 HB3 TRP A 49 -1.133 -5.423 9.694 1.00 44.14 H new ATOM 0 HD1 TRP A 49 -0.806 -9.214 10.411 1.00 33.44 H new ATOM 0 HE1 TRP A 49 -3.150 -10.203 10.867 1.00 0.34 H new ATOM 0 HE3 TRP A 49 -3.595 -5.081 9.294 1.00 22.11 H new ATOM 0 HZ2 TRP A 49 -5.806 -9.300 10.765 1.00 54.23 H new ATOM 0 HZ3 TRP A 49 -6.042 -5.216 9.516 1.00 23.40 H new ATOM 0 HH2 TRP A 49 -7.132 -7.303 10.224 1.00 4.10 H new ATOM 747 N ALA A 50 1.620 -8.117 7.960 1.00 21.04 N ATOM 748 CA ALA A 50 2.265 -9.412 7.769 1.00 43.54 C ATOM 749 C ALA A 50 2.509 -10.086 9.121 1.00 73.02 C ATOM 750 O ALA A 50 3.450 -9.730 9.837 1.00 61.33 O ATOM 751 CB ALA A 50 3.576 -9.244 7.005 1.00 15.25 C ATOM 0 H ALA A 50 2.262 -7.360 8.196 1.00 21.04 H new ATOM 0 HA ALA A 50 1.605 -10.050 7.181 1.00 43.54 H new ATOM 0 HB1 ALA A 50 4.046 -10.218 6.870 1.00 15.25 H new ATOM 0 HB2 ALA A 50 3.375 -8.800 6.030 1.00 15.25 H new ATOM 0 HB3 ALA A 50 4.245 -8.594 7.569 1.00 15.25 H new ATOM 757 N PRO A 51 1.650 -11.051 9.509 1.00 64.24 N ATOM 758 CA PRO A 51 1.771 -11.755 10.777 1.00 30.23 C ATOM 759 C PRO A 51 2.593 -13.046 10.650 1.00 32.54 C ATOM 760 O PRO A 51 3.824 -13.009 10.687 1.00 3.02 O ATOM 761 CB PRO A 51 0.304 -12.035 11.133 1.00 31.40 C ATOM 762 CG PRO A 51 -0.413 -12.150 9.813 1.00 52.25 C ATOM 763 CD PRO A 51 0.482 -11.533 8.752 1.00 0.04 C ATOM 0 HA PRO A 51 2.303 -11.186 11.539 1.00 30.23 H new ATOM 0 HB2 PRO A 51 0.209 -12.953 11.713 1.00 31.40 H new ATOM 0 HB3 PRO A 51 -0.114 -11.231 11.738 1.00 31.40 H new ATOM 0 HG2 PRO A 51 -0.621 -13.194 9.579 1.00 52.25 H new ATOM 0 HG3 PRO A 51 -1.373 -11.635 9.852 1.00 52.25 H new ATOM 0 HD2 PRO A 51 0.770 -12.265 7.997 1.00 0.04 H new ATOM 0 HD3 PRO A 51 -0.020 -10.718 8.231 1.00 0.04 H new ATOM 771 N TRP A 52 1.912 -14.176 10.463 1.00 61.30 N ATOM 772 CA TRP A 52 2.569 -15.473 10.353 1.00 41.33 C ATOM 773 C TRP A 52 2.575 -15.922 8.896 1.00 15.12 C ATOM 774 O TRP A 52 1.521 -16.201 8.319 1.00 2.11 O ATOM 775 CB TRP A 52 1.845 -16.499 11.232 1.00 33.24 C ATOM 776 CG TRP A 52 1.728 -16.064 12.666 1.00 45.04 C ATOM 777 CD1 TRP A 52 0.700 -15.358 13.233 1.00 62.41 C ATOM 778 CD2 TRP A 52 2.681 -16.290 13.712 1.00 13.23 C ATOM 779 NE1 TRP A 52 0.954 -15.146 14.569 1.00 44.23 N ATOM 780 CE2 TRP A 52 2.164 -15.704 14.885 1.00 24.24 C ATOM 781 CE3 TRP A 52 3.922 -16.932 13.774 1.00 2.44 C ATOM 782 CZ2 TRP A 52 2.842 -15.743 16.099 1.00 0.25 C ATOM 783 CZ3 TRP A 52 4.595 -16.969 14.981 1.00 34.55 C ATOM 784 CH2 TRP A 52 4.053 -16.377 16.129 1.00 33.20 C ATOM 0 H TRP A 52 0.896 -14.216 10.384 1.00 61.30 H new ATOM 0 HA TRP A 52 3.600 -15.390 10.697 1.00 41.33 H new ATOM 0 HB2 TRP A 52 0.848 -16.675 10.829 1.00 33.24 H new ATOM 0 HB3 TRP A 52 2.379 -17.448 11.188 1.00 33.24 H new ATOM 0 HD1 TRP A 52 -0.181 -15.018 12.709 1.00 62.41 H new ATOM 0 HE1 TRP A 52 0.341 -14.653 15.218 1.00 44.23 H new ATOM 0 HE3 TRP A 52 4.347 -17.391 12.894 1.00 2.44 H new ATOM 0 HZ2 TRP A 52 2.427 -15.289 16.986 1.00 0.25 H new ATOM 0 HZ3 TRP A 52 5.554 -17.462 15.040 1.00 34.55 H new ATOM 0 HH2 TRP A 52 4.603 -16.422 17.057 1.00 33.20 H new ATOM 795 N CYS A 53 3.761 -15.966 8.303 1.00 72.42 N ATOM 796 CA CYS A 53 3.914 -16.292 6.888 1.00 34.52 C ATOM 797 C CYS A 53 5.391 -16.450 6.537 1.00 21.30 C ATOM 798 O CYS A 53 6.266 -16.079 7.324 1.00 63.42 O ATOM 799 CB CYS A 53 3.280 -15.189 6.027 1.00 64.33 C ATOM 800 SG CYS A 53 3.603 -15.336 4.238 1.00 73.22 S ATOM 0 H CYS A 53 4.640 -15.778 8.785 1.00 72.42 H new ATOM 0 HA CYS A 53 3.407 -17.236 6.687 1.00 34.52 H new ATOM 0 HB2 CYS A 53 2.202 -15.195 6.189 1.00 64.33 H new ATOM 0 HB3 CYS A 53 3.648 -14.222 6.370 1.00 64.33 H new ATOM 805 N GLY A 54 5.665 -17.003 5.359 1.00 24.24 N ATOM 806 CA GLY A 54 7.036 -17.187 4.923 1.00 31.21 C ATOM 807 C GLY A 54 7.665 -15.889 4.446 1.00 22.11 C ATOM 808 O GLY A 54 8.130 -15.090 5.262 1.00 22.25 O ATOM 0 H GLY A 54 4.959 -17.327 4.698 1.00 24.24 H new ATOM 0 HA2 GLY A 54 7.625 -17.594 5.745 1.00 31.21 H new ATOM 0 HA3 GLY A 54 7.064 -17.920 4.117 1.00 31.21 H new ATOM 812 N PRO A 55 7.654 -15.626 3.124 1.00 53.52 N ATOM 813 CA PRO A 55 8.311 -14.447 2.540 1.00 45.34 C ATOM 814 C PRO A 55 7.714 -13.133 3.048 1.00 65.23 C ATOM 815 O PRO A 55 8.335 -12.074 2.935 1.00 62.42 O ATOM 816 CB PRO A 55 8.075 -14.608 1.025 1.00 54.32 C ATOM 817 CG PRO A 55 6.902 -15.525 0.916 1.00 72.12 C ATOM 818 CD PRO A 55 7.003 -16.459 2.092 1.00 1.42 C ATOM 0 HA PRO A 55 9.366 -14.397 2.810 1.00 45.34 H new ATOM 0 HB2 PRO A 55 7.871 -13.647 0.552 1.00 54.32 H new ATOM 0 HB3 PRO A 55 8.952 -15.027 0.531 1.00 54.32 H new ATOM 0 HG2 PRO A 55 5.966 -14.967 0.939 1.00 72.12 H new ATOM 0 HG3 PRO A 55 6.922 -16.076 -0.024 1.00 72.12 H new ATOM 0 HD2 PRO A 55 6.022 -16.808 2.415 1.00 1.42 H new ATOM 0 HD3 PRO A 55 7.594 -17.343 1.855 1.00 1.42 H new ATOM 826 N CYS A 56 6.517 -13.217 3.619 1.00 41.42 N ATOM 827 CA CYS A 56 5.811 -12.041 4.124 1.00 3.10 C ATOM 828 C CYS A 56 6.647 -11.300 5.168 1.00 74.11 C ATOM 829 O CYS A 56 6.625 -10.071 5.232 1.00 2.44 O ATOM 830 CB CYS A 56 4.461 -12.456 4.712 1.00 12.33 C ATOM 831 SG CYS A 56 3.432 -13.429 3.558 1.00 24.44 S ATOM 0 H CYS A 56 6.011 -14.094 3.745 1.00 41.42 H new ATOM 0 HA CYS A 56 5.641 -11.359 3.291 1.00 3.10 H new ATOM 0 HB2 CYS A 56 4.632 -13.041 5.616 1.00 12.33 H new ATOM 0 HB3 CYS A 56 3.913 -11.562 5.010 1.00 12.33 H new ATOM 836 N ARG A 57 7.405 -12.054 5.963 1.00 45.23 N ATOM 837 CA ARG A 57 8.241 -11.468 7.007 1.00 5.41 C ATOM 838 C ARG A 57 9.331 -10.590 6.389 1.00 50.12 C ATOM 839 O ARG A 57 9.690 -9.547 6.938 1.00 31.53 O ATOM 840 CB ARG A 57 8.859 -12.573 7.879 1.00 61.11 C ATOM 841 CG ARG A 57 9.902 -13.432 7.163 1.00 35.52 C ATOM 842 CD ARG A 57 10.249 -14.692 7.952 1.00 14.40 C ATOM 843 NE ARG A 57 9.119 -15.628 8.022 1.00 75.42 N ATOM 844 CZ ARG A 57 9.234 -16.925 8.306 1.00 44.22 C ATOM 845 NH1 ARG A 57 10.425 -17.453 8.552 1.00 33.33 N ATOM 846 NH2 ARG A 57 8.152 -17.693 8.331 1.00 42.44 N ATOM 0 H ARG A 57 7.457 -13.071 5.903 1.00 45.23 H new ATOM 0 HA ARG A 57 7.617 -10.839 7.642 1.00 5.41 H new ATOM 0 HB2 ARG A 57 9.322 -12.114 8.753 1.00 61.11 H new ATOM 0 HB3 ARG A 57 8.061 -13.220 8.244 1.00 61.11 H new ATOM 0 HG2 ARG A 57 9.526 -13.713 6.179 1.00 35.52 H new ATOM 0 HG3 ARG A 57 10.806 -12.845 7.003 1.00 35.52 H new ATOM 0 HD2 ARG A 57 11.101 -15.187 7.487 1.00 14.40 H new ATOM 0 HD3 ARG A 57 10.553 -14.415 8.961 1.00 14.40 H new ATOM 0 HE ARG A 57 8.185 -15.261 7.841 1.00 75.42 H new ATOM 0 HH11 ARG A 57 11.259 -16.866 8.524 1.00 33.33 H new ATOM 0 HH12 ARG A 57 10.508 -18.446 8.769 1.00 33.33 H new ATOM 0 HH21 ARG A 57 7.236 -17.290 8.133 1.00 42.44 H new ATOM 0 HH22 ARG A 57 8.236 -18.686 8.548 1.00 42.44 H new ATOM 860 N SER A 58 9.857 -11.030 5.245 1.00 54.13 N ATOM 861 CA SER A 58 10.876 -10.280 4.508 1.00 50.34 C ATOM 862 C SER A 58 10.246 -9.088 3.782 1.00 65.21 C ATOM 863 O SER A 58 10.902 -8.066 3.523 1.00 52.40 O ATOM 864 CB SER A 58 11.567 -11.203 3.492 1.00 55.44 C ATOM 865 OG SER A 58 12.727 -10.599 2.941 1.00 4.12 O ATOM 0 H SER A 58 9.591 -11.911 4.805 1.00 54.13 H new ATOM 0 HA SER A 58 11.614 -9.905 5.217 1.00 50.34 H new ATOM 0 HB2 SER A 58 11.840 -12.140 3.978 1.00 55.44 H new ATOM 0 HB3 SER A 58 10.870 -11.450 2.691 1.00 55.44 H new ATOM 0 HG SER A 58 13.143 -11.213 2.300 1.00 4.12 H new ATOM 871 N LEU A 59 8.967 -9.220 3.460 1.00 12.55 N ATOM 872 CA LEU A 59 8.300 -8.248 2.614 1.00 14.30 C ATOM 873 C LEU A 59 8.233 -6.881 3.268 1.00 44.41 C ATOM 874 O LEU A 59 8.419 -5.888 2.593 1.00 64.10 O ATOM 875 CB LEU A 59 6.893 -8.687 2.253 1.00 0.51 C ATOM 876 CG LEU A 59 6.361 -8.032 0.978 1.00 5.44 C ATOM 877 CD1 LEU A 59 6.982 -8.651 -0.271 1.00 50.53 C ATOM 878 CD2 LEU A 59 4.854 -8.060 0.961 1.00 71.13 C ATOM 0 H LEU A 59 8.374 -9.989 3.772 1.00 12.55 H new ATOM 0 HA LEU A 59 8.899 -8.180 1.706 1.00 14.30 H new ATOM 0 HB2 LEU A 59 6.879 -9.770 2.130 1.00 0.51 H new ATOM 0 HB3 LEU A 59 6.223 -8.452 3.080 1.00 0.51 H new ATOM 0 HG LEU A 59 6.662 -6.984 0.973 1.00 5.44 H new ATOM 0 HD11 LEU A 59 6.581 -8.161 -1.158 1.00 50.53 H new ATOM 0 HD12 LEU A 59 8.064 -8.520 -0.242 1.00 50.53 H new ATOM 0 HD13 LEU A 59 6.746 -9.715 -0.306 1.00 50.53 H new ATOM 0 HD21 LEU A 59 4.492 -7.590 0.047 1.00 71.13 H new ATOM 0 HD22 LEU A 59 4.509 -9.093 0.999 1.00 71.13 H new ATOM 0 HD23 LEU A 59 4.470 -7.517 1.825 1.00 71.13 H new ATOM 890 N GLU A 60 7.951 -6.827 4.568 1.00 32.43 N ATOM 891 CA GLU A 60 7.871 -5.541 5.265 1.00 72.01 C ATOM 892 C GLU A 60 9.182 -4.756 5.083 1.00 65.43 C ATOM 893 O GLU A 60 9.151 -3.605 4.646 1.00 1.23 O ATOM 894 CB GLU A 60 7.519 -5.723 6.754 1.00 70.44 C ATOM 895 CG GLU A 60 6.149 -6.351 6.990 1.00 3.24 C ATOM 896 CD GLU A 60 5.804 -6.476 8.468 1.00 71.43 C ATOM 897 OE1 GLU A 60 6.295 -7.423 9.117 1.00 10.20 O ATOM 898 OE2 GLU A 60 5.046 -5.628 8.991 1.00 14.14 O ATOM 0 H GLU A 60 7.776 -7.643 5.154 1.00 32.43 H new ATOM 0 HA GLU A 60 7.062 -4.961 4.821 1.00 72.01 H new ATOM 0 HB2 GLU A 60 8.280 -6.346 7.224 1.00 70.44 H new ATOM 0 HB3 GLU A 60 7.553 -4.752 7.247 1.00 70.44 H new ATOM 0 HG2 GLU A 60 5.388 -5.749 6.494 1.00 3.24 H new ATOM 0 HG3 GLU A 60 6.123 -7.339 6.531 1.00 3.24 H new ATOM 905 N PRO A 61 10.358 -5.359 5.401 1.00 54.12 N ATOM 906 CA PRO A 61 11.649 -4.754 5.076 1.00 63.23 C ATOM 907 C PRO A 61 11.755 -4.372 3.594 1.00 53.32 C ATOM 908 O PRO A 61 12.244 -3.286 3.261 1.00 33.02 O ATOM 909 CB PRO A 61 12.695 -5.826 5.420 1.00 54.44 C ATOM 910 CG PRO A 61 11.989 -6.902 6.182 1.00 10.12 C ATOM 911 CD PRO A 61 10.507 -6.619 6.153 1.00 20.31 C ATOM 0 HA PRO A 61 11.792 -3.829 5.634 1.00 63.23 H new ATOM 0 HB2 PRO A 61 13.146 -6.229 4.513 1.00 54.44 H new ATOM 0 HB3 PRO A 61 13.502 -5.399 6.015 1.00 54.44 H new ATOM 0 HG2 PRO A 61 12.197 -7.877 5.741 1.00 10.12 H new ATOM 0 HG3 PRO A 61 12.348 -6.935 7.211 1.00 10.12 H new ATOM 0 HD2 PRO A 61 9.962 -7.430 5.670 1.00 20.31 H new ATOM 0 HD3 PRO A 61 10.107 -6.523 7.162 1.00 20.31 H new ATOM 919 N GLN A 62 11.296 -5.255 2.692 1.00 44.35 N ATOM 920 CA GLN A 62 11.409 -4.968 1.257 1.00 23.52 C ATOM 921 C GLN A 62 10.543 -3.767 0.874 1.00 32.52 C ATOM 922 O GLN A 62 10.893 -2.980 -0.010 1.00 25.54 O ATOM 923 CB GLN A 62 11.027 -6.191 0.418 1.00 64.54 C ATOM 924 CG GLN A 62 11.903 -7.409 0.691 1.00 21.41 C ATOM 925 CD GLN A 62 11.812 -8.459 -0.403 1.00 44.33 C ATOM 926 OE1 GLN A 62 12.573 -8.432 -1.371 1.00 3.25 O ATOM 927 NE2 GLN A 62 10.878 -9.388 -0.259 1.00 22.33 N ATOM 0 H GLN A 62 10.857 -6.146 2.922 1.00 44.35 H new ATOM 0 HA GLN A 62 12.451 -4.724 1.048 1.00 23.52 H new ATOM 0 HB2 GLN A 62 9.987 -6.449 0.617 1.00 64.54 H new ATOM 0 HB3 GLN A 62 11.095 -5.933 -0.639 1.00 64.54 H new ATOM 0 HG2 GLN A 62 12.940 -7.089 0.795 1.00 21.41 H new ATOM 0 HG3 GLN A 62 11.610 -7.855 1.641 1.00 21.41 H new ATOM 0 HE21 GLN A 62 10.267 -9.375 0.558 1.00 22.33 H new ATOM 0 HE22 GLN A 62 10.770 -10.116 -0.965 1.00 22.33 H new ATOM 936 N LEU A 63 9.423 -3.629 1.567 1.00 1.13 N ATOM 937 CA LEU A 63 8.504 -2.528 1.358 1.00 42.05 C ATOM 938 C LEU A 63 9.131 -1.233 1.859 1.00 21.52 C ATOM 939 O LEU A 63 8.962 -0.183 1.248 1.00 62.11 O ATOM 940 CB LEU A 63 7.163 -2.814 2.061 1.00 73.32 C ATOM 941 CG LEU A 63 6.278 -3.876 1.383 1.00 41.50 C ATOM 942 CD1 LEU A 63 4.990 -4.098 2.176 1.00 43.32 C ATOM 943 CD2 LEU A 63 5.965 -3.480 -0.062 1.00 2.53 C ATOM 0 H LEU A 63 9.128 -4.282 2.293 1.00 1.13 H new ATOM 0 HA LEU A 63 8.303 -2.419 0.292 1.00 42.05 H new ATOM 0 HB2 LEU A 63 7.368 -3.134 3.083 1.00 73.32 H new ATOM 0 HB3 LEU A 63 6.600 -1.883 2.126 1.00 73.32 H new ATOM 0 HG LEU A 63 6.830 -4.816 1.365 1.00 41.50 H new ATOM 0 HD11 LEU A 63 4.381 -4.852 1.678 1.00 43.32 H new ATOM 0 HD12 LEU A 63 5.236 -4.437 3.182 1.00 43.32 H new ATOM 0 HD13 LEU A 63 4.433 -3.163 2.234 1.00 43.32 H new ATOM 0 HD21 LEU A 63 5.339 -4.245 -0.521 1.00 2.53 H new ATOM 0 HD22 LEU A 63 5.438 -2.526 -0.072 1.00 2.53 H new ATOM 0 HD23 LEU A 63 6.895 -3.387 -0.623 1.00 2.53 H new ATOM 955 N GLU A 64 9.863 -1.321 2.968 1.00 13.22 N ATOM 956 CA GLU A 64 10.659 -0.196 3.460 1.00 42.15 C ATOM 957 C GLU A 64 11.661 0.242 2.391 1.00 31.32 C ATOM 958 O GLU A 64 11.786 1.433 2.091 1.00 54.34 O ATOM 959 CB GLU A 64 11.395 -0.583 4.755 1.00 54.40 C ATOM 960 CG GLU A 64 10.527 -0.525 6.013 1.00 3.15 C ATOM 961 CD GLU A 64 10.482 0.862 6.651 1.00 62.14 C ATOM 962 OE1 GLU A 64 11.518 1.566 6.637 1.00 63.54 O ATOM 963 OE2 GLU A 64 9.417 1.252 7.179 1.00 73.00 O ATOM 0 H GLU A 64 9.922 -2.161 3.544 1.00 13.22 H new ATOM 0 HA GLU A 64 9.990 0.636 3.680 1.00 42.15 H new ATOM 0 HB2 GLU A 64 11.790 -1.593 4.647 1.00 54.40 H new ATOM 0 HB3 GLU A 64 12.249 0.081 4.886 1.00 54.40 H new ATOM 0 HG2 GLU A 64 9.513 -0.835 5.761 1.00 3.15 H new ATOM 0 HG3 GLU A 64 10.907 -1.241 6.742 1.00 3.15 H new ATOM 970 N LYS A 65 12.348 -0.736 1.797 1.00 21.31 N ATOM 971 CA LYS A 65 13.322 -0.462 0.742 1.00 31.03 C ATOM 972 C LYS A 65 12.670 0.317 -0.393 1.00 33.24 C ATOM 973 O LYS A 65 13.136 1.394 -0.775 1.00 63.50 O ATOM 974 CB LYS A 65 13.919 -1.768 0.200 1.00 73.21 C ATOM 975 CG LYS A 65 14.772 -1.581 -1.056 1.00 15.11 C ATOM 976 CD LYS A 65 15.395 -2.889 -1.541 1.00 51.44 C ATOM 977 CE LYS A 65 16.320 -3.510 -0.498 1.00 12.24 C ATOM 978 NZ LYS A 65 16.970 -4.746 -1.007 1.00 34.33 N ATOM 0 H LYS A 65 12.247 -1.724 2.030 1.00 21.31 H new ATOM 0 HA LYS A 65 14.125 0.138 1.171 1.00 31.03 H new ATOM 0 HB2 LYS A 65 14.529 -2.228 0.977 1.00 73.21 H new ATOM 0 HB3 LYS A 65 13.109 -2.463 -0.022 1.00 73.21 H new ATOM 0 HG2 LYS A 65 14.156 -1.160 -1.850 1.00 15.11 H new ATOM 0 HG3 LYS A 65 15.563 -0.860 -0.850 1.00 15.11 H new ATOM 0 HD2 LYS A 65 14.603 -3.596 -1.789 1.00 51.44 H new ATOM 0 HD3 LYS A 65 15.956 -2.704 -2.457 1.00 51.44 H new ATOM 0 HE2 LYS A 65 17.085 -2.787 -0.213 1.00 12.24 H new ATOM 0 HE3 LYS A 65 15.750 -3.742 0.402 1.00 12.24 H new ATOM 0 HZ1 LYS A 65 17.591 -5.140 -0.271 1.00 34.33 H new ATOM 0 HZ2 LYS A 65 16.241 -5.445 -1.255 1.00 34.33 H new ATOM 0 HZ3 LYS A 65 17.534 -4.519 -1.851 1.00 34.33 H new ATOM 992 N LEU A 66 11.578 -0.227 -0.922 1.00 63.13 N ATOM 993 CA LEU A 66 10.873 0.412 -2.023 1.00 34.21 C ATOM 994 C LEU A 66 10.312 1.765 -1.588 1.00 11.21 C ATOM 995 O LEU A 66 10.318 2.731 -2.356 1.00 41.14 O ATOM 996 CB LEU A 66 9.745 -0.483 -2.556 1.00 61.34 C ATOM 997 CG LEU A 66 10.179 -1.835 -3.136 1.00 51.23 C ATOM 998 CD1 LEU A 66 9.040 -2.446 -3.942 1.00 31.44 C ATOM 999 CD2 LEU A 66 11.445 -1.693 -3.979 1.00 31.31 C ATOM 0 H LEU A 66 11.165 -1.105 -0.606 1.00 63.13 H new ATOM 0 HA LEU A 66 11.590 0.570 -2.829 1.00 34.21 H new ATOM 0 HB2 LEU A 66 9.040 -0.667 -1.745 1.00 61.34 H new ATOM 0 HB3 LEU A 66 9.207 0.066 -3.329 1.00 61.34 H new ATOM 0 HG LEU A 66 10.416 -2.507 -2.312 1.00 51.23 H new ATOM 0 HD11 LEU A 66 9.357 -3.406 -4.350 1.00 31.44 H new ATOM 0 HD12 LEU A 66 8.175 -2.595 -3.295 1.00 31.44 H new ATOM 0 HD13 LEU A 66 8.771 -1.776 -4.758 1.00 31.44 H new ATOM 0 HD21 LEU A 66 11.728 -2.667 -4.377 1.00 31.31 H new ATOM 0 HD22 LEU A 66 11.258 -1.005 -4.803 1.00 31.31 H new ATOM 0 HD23 LEU A 66 12.253 -1.305 -3.359 1.00 31.31 H new ATOM 1011 N ALA A 67 9.859 1.829 -0.339 1.00 54.22 N ATOM 1012 CA ALA A 67 9.273 3.046 0.209 1.00 65.32 C ATOM 1013 C ALA A 67 10.305 4.161 0.261 1.00 0.23 C ATOM 1014 O ALA A 67 9.972 5.326 0.097 1.00 32.43 O ATOM 1015 CB ALA A 67 8.697 2.791 1.600 1.00 14.30 C ATOM 0 H ALA A 67 9.887 1.047 0.315 1.00 54.22 H new ATOM 0 HA ALA A 67 8.461 3.356 -0.448 1.00 65.32 H new ATOM 0 HB1 ALA A 67 8.265 3.713 1.990 1.00 14.30 H new ATOM 0 HB2 ALA A 67 7.924 2.025 1.539 1.00 14.30 H new ATOM 0 HB3 ALA A 67 9.491 2.453 2.266 1.00 14.30 H new ATOM 1021 N GLN A 68 11.557 3.791 0.495 1.00 63.33 N ATOM 1022 CA GLN A 68 12.655 4.756 0.526 1.00 65.13 C ATOM 1023 C GLN A 68 13.081 5.145 -0.890 1.00 20.30 C ATOM 1024 O GLN A 68 13.229 6.329 -1.203 1.00 31.42 O ATOM 1025 CB GLN A 68 13.855 4.178 1.286 1.00 14.41 C ATOM 1026 CG GLN A 68 13.581 3.918 2.762 1.00 33.31 C ATOM 1027 CD GLN A 68 14.798 3.388 3.501 1.00 42.33 C ATOM 1028 OE1 GLN A 68 14.889 3.694 4.787 1.00 12.24 O flip ATOM 1029 NE2 GLN A 68 15.651 2.713 2.924 1.00 34.22 N flip ATOM 0 H GLN A 68 11.841 2.827 0.667 1.00 63.33 H new ATOM 0 HA GLN A 68 12.301 5.649 1.041 1.00 65.13 H new ATOM 0 HB2 GLN A 68 14.158 3.244 0.812 1.00 14.41 H new ATOM 0 HB3 GLN A 68 14.695 4.867 1.198 1.00 14.41 H new ATOM 0 HG2 GLN A 68 13.249 4.843 3.234 1.00 33.31 H new ATOM 0 HG3 GLN A 68 12.765 3.202 2.855 1.00 33.31 H new ATOM 0 HE21 GLN A 68 15.546 2.498 1.932 1.00 34.22 H new ATOM 0 HE22 GLN A 68 16.462 2.369 3.438 1.00 34.22 H new ATOM 1038 N GLN A 69 13.266 4.140 -1.742 1.00 12.11 N ATOM 1039 CA GLN A 69 13.764 4.351 -3.104 1.00 74.15 C ATOM 1040 C GLN A 69 12.804 5.234 -3.905 1.00 64.53 C ATOM 1041 O GLN A 69 13.225 6.088 -4.685 1.00 62.31 O ATOM 1042 CB GLN A 69 13.940 2.997 -3.816 1.00 13.02 C ATOM 1043 CG GLN A 69 14.734 3.076 -5.121 1.00 74.10 C ATOM 1044 CD GLN A 69 16.211 3.391 -4.908 1.00 15.52 C ATOM 1045 OE1 GLN A 69 16.776 2.917 -3.806 1.00 12.35 O flip ATOM 1046 NE2 GLN A 69 16.842 4.045 -5.738 1.00 42.40 N flip ATOM 0 H GLN A 69 13.078 3.164 -1.514 1.00 12.11 H new ATOM 0 HA GLN A 69 14.728 4.856 -3.040 1.00 74.15 H new ATOM 0 HB2 GLN A 69 14.442 2.305 -3.139 1.00 13.02 H new ATOM 0 HB3 GLN A 69 12.956 2.579 -4.027 1.00 13.02 H new ATOM 0 HG2 GLN A 69 14.644 2.128 -5.651 1.00 74.10 H new ATOM 0 HG3 GLN A 69 14.294 3.842 -5.760 1.00 74.10 H new ATOM 0 HE21 GLN A 69 16.374 4.394 -6.575 1.00 42.40 H new ATOM 0 HE22 GLN A 69 17.832 4.238 -5.589 1.00 42.40 H new ATOM 1055 N TYR A 70 11.515 5.011 -3.693 1.00 41.21 N ATOM 1056 CA TYR A 70 10.448 5.654 -4.462 1.00 43.45 C ATOM 1057 C TYR A 70 9.745 6.762 -3.667 1.00 53.14 C ATOM 1058 O TYR A 70 8.754 7.325 -4.131 1.00 42.21 O ATOM 1059 CB TYR A 70 9.449 4.603 -4.951 1.00 61.11 C ATOM 1060 CG TYR A 70 10.063 3.593 -5.905 1.00 61.11 C ATOM 1061 CD1 TYR A 70 10.339 3.940 -7.223 1.00 14.44 C ATOM 1062 CD2 TYR A 70 10.374 2.302 -5.489 1.00 52.43 C ATOM 1063 CE1 TYR A 70 10.907 3.033 -8.096 1.00 1.25 C ATOM 1064 CE2 TYR A 70 10.942 1.388 -6.359 1.00 4.41 C ATOM 1065 CZ TYR A 70 11.205 1.759 -7.662 1.00 72.34 C ATOM 1066 OH TYR A 70 11.777 0.857 -8.533 1.00 62.21 O ATOM 0 H TYR A 70 11.172 4.372 -2.975 1.00 41.21 H new ATOM 0 HA TYR A 70 10.904 6.136 -5.326 1.00 43.45 H new ATOM 0 HB2 TYR A 70 9.035 4.076 -4.091 1.00 61.11 H new ATOM 0 HB3 TYR A 70 8.618 5.104 -5.448 1.00 61.11 H new ATOM 0 HD1 TYR A 70 10.105 4.936 -7.570 1.00 14.44 H new ATOM 0 HD2 TYR A 70 10.169 2.008 -4.470 1.00 52.43 H new ATOM 0 HE1 TYR A 70 11.117 3.321 -9.115 1.00 1.25 H new ATOM 0 HE2 TYR A 70 11.178 0.390 -6.020 1.00 4.41 H new ATOM 0 HH TYR A 70 12.564 0.451 -8.113 1.00 62.21 H new ATOM 1076 N THR A 71 10.259 7.063 -2.475 1.00 21.41 N ATOM 1077 CA THR A 71 9.553 7.884 -1.481 1.00 72.45 C ATOM 1078 C THR A 71 9.055 9.229 -2.029 1.00 42.31 C ATOM 1079 O THR A 71 8.116 9.809 -1.474 1.00 61.55 O ATOM 1080 CB THR A 71 10.456 8.166 -0.249 1.00 54.12 C ATOM 1081 OG1 THR A 71 9.700 8.810 0.791 1.00 2.54 O ATOM 1082 CG2 THR A 71 11.654 9.038 -0.624 1.00 51.24 C ATOM 0 H THR A 71 11.178 6.746 -2.167 1.00 21.41 H new ATOM 0 HA THR A 71 8.681 7.294 -1.197 1.00 72.45 H new ATOM 0 HB THR A 71 10.827 7.207 0.112 1.00 54.12 H new ATOM 0 HG1 THR A 71 10.282 8.980 1.561 1.00 2.54 H new ATOM 0 HG21 THR A 71 12.265 9.216 0.261 1.00 51.24 H new ATOM 0 HG22 THR A 71 12.251 8.530 -1.381 1.00 51.24 H new ATOM 0 HG23 THR A 71 11.301 9.991 -1.019 1.00 51.24 H new ATOM 1090 N GLU A 72 9.663 9.735 -3.097 1.00 71.32 N ATOM 1091 CA GLU A 72 9.211 10.997 -3.683 1.00 40.51 C ATOM 1092 C GLU A 72 7.838 10.828 -4.336 1.00 53.12 C ATOM 1093 O GLU A 72 6.992 11.722 -4.267 1.00 50.40 O ATOM 1094 CB GLU A 72 10.219 11.528 -4.711 1.00 11.53 C ATOM 1095 CG GLU A 72 11.581 11.877 -4.119 1.00 74.34 C ATOM 1096 CD GLU A 72 12.467 12.630 -5.100 1.00 40.24 C ATOM 1097 OE1 GLU A 72 12.887 12.031 -6.112 1.00 32.31 O ATOM 1098 OE2 GLU A 72 12.752 13.827 -4.864 1.00 24.01 O ATOM 0 H GLU A 72 10.456 9.302 -3.569 1.00 71.32 H new ATOM 0 HA GLU A 72 9.132 11.725 -2.875 1.00 40.51 H new ATOM 0 HB2 GLU A 72 10.354 10.780 -5.492 1.00 11.53 H new ATOM 0 HB3 GLU A 72 9.803 12.415 -5.188 1.00 11.53 H new ATOM 0 HG2 GLU A 72 11.440 12.482 -3.223 1.00 74.34 H new ATOM 0 HG3 GLU A 72 12.084 10.961 -3.809 1.00 74.34 H new ATOM 1105 N ASN A 73 7.619 9.667 -4.941 1.00 11.50 N ATOM 1106 CA ASN A 73 6.387 9.394 -5.685 1.00 61.20 C ATOM 1107 C ASN A 73 5.557 8.292 -5.020 1.00 20.51 C ATOM 1108 O ASN A 73 4.455 7.994 -5.468 1.00 53.23 O ATOM 1109 CB ASN A 73 6.725 8.979 -7.128 1.00 10.41 C ATOM 1110 CG ASN A 73 7.355 10.098 -7.950 1.00 4.30 C ATOM 1111 OD1 ASN A 73 7.019 11.273 -7.796 1.00 64.14 O ATOM 1112 ND2 ASN A 73 8.284 9.740 -8.829 1.00 61.22 N ATOM 0 H ASN A 73 8.282 8.892 -4.933 1.00 11.50 H new ATOM 0 HA ASN A 73 5.795 10.310 -5.690 1.00 61.20 H new ATOM 0 HB2 ASN A 73 7.407 8.129 -7.103 1.00 10.41 H new ATOM 0 HB3 ASN A 73 5.814 8.643 -7.624 1.00 10.41 H new ATOM 0 HD21 ASN A 73 8.743 10.448 -9.402 1.00 61.22 H new ATOM 0 HD22 ASN A 73 8.538 8.757 -8.931 1.00 61.22 H new ATOM 1119 N VAL A 74 6.085 7.684 -3.960 1.00 41.31 N ATOM 1120 CA VAL A 74 5.423 6.541 -3.313 1.00 33.44 C ATOM 1121 C VAL A 74 5.318 6.722 -1.798 1.00 50.24 C ATOM 1122 O VAL A 74 6.148 7.395 -1.182 1.00 52.40 O ATOM 1123 CB VAL A 74 6.184 5.222 -3.622 1.00 53.12 C ATOM 1124 CG1 VAL A 74 5.645 4.043 -2.811 1.00 53.03 C ATOM 1125 CG2 VAL A 74 6.125 4.913 -5.113 1.00 73.23 C ATOM 0 H VAL A 74 6.967 7.959 -3.528 1.00 41.31 H new ATOM 0 HA VAL A 74 4.414 6.487 -3.721 1.00 33.44 H new ATOM 0 HB VAL A 74 7.223 5.369 -3.328 1.00 53.12 H new ATOM 0 HG11 VAL A 74 6.207 3.143 -3.060 1.00 53.03 H new ATOM 0 HG12 VAL A 74 5.751 4.254 -1.747 1.00 53.03 H new ATOM 0 HG13 VAL A 74 4.592 3.890 -3.047 1.00 53.03 H new ATOM 0 HG21 VAL A 74 6.662 3.986 -5.314 1.00 73.23 H new ATOM 0 HG22 VAL A 74 5.085 4.804 -5.421 1.00 73.23 H new ATOM 0 HG23 VAL A 74 6.585 5.728 -5.672 1.00 73.23 H new ATOM 1135 N LYS A 75 4.275 6.131 -1.211 1.00 3.32 N ATOM 1136 CA LYS A 75 4.128 6.070 0.242 1.00 73.51 C ATOM 1137 C LYS A 75 3.326 4.827 0.628 1.00 1.13 C ATOM 1138 O LYS A 75 2.220 4.616 0.127 1.00 44.33 O ATOM 1139 CB LYS A 75 3.431 7.333 0.776 1.00 40.40 C ATOM 1140 CG LYS A 75 3.661 7.586 2.268 1.00 62.03 C ATOM 1141 CD LYS A 75 5.144 7.780 2.591 1.00 31.52 C ATOM 1142 CE LYS A 75 5.370 8.175 4.048 1.00 44.32 C ATOM 1143 NZ LYS A 75 4.928 7.120 5.002 1.00 75.32 N ATOM 0 H LYS A 75 3.515 5.685 -1.726 1.00 3.32 H new ATOM 0 HA LYS A 75 5.121 6.014 0.688 1.00 73.51 H new ATOM 0 HB2 LYS A 75 3.784 8.197 0.213 1.00 40.40 H new ATOM 0 HB3 LYS A 75 2.360 7.250 0.593 1.00 40.40 H new ATOM 0 HG2 LYS A 75 3.103 8.470 2.577 1.00 62.03 H new ATOM 0 HG3 LYS A 75 3.271 6.746 2.843 1.00 62.03 H new ATOM 0 HD2 LYS A 75 5.684 6.857 2.379 1.00 31.52 H new ATOM 0 HD3 LYS A 75 5.558 8.549 1.939 1.00 31.52 H new ATOM 0 HE2 LYS A 75 6.429 8.381 4.205 1.00 44.32 H new ATOM 0 HE3 LYS A 75 4.831 9.099 4.258 1.00 44.32 H new ATOM 0 HZ1 LYS A 75 5.072 7.451 5.977 1.00 75.32 H new ATOM 0 HZ2 LYS A 75 3.920 6.916 4.851 1.00 75.32 H new ATOM 0 HZ3 LYS A 75 5.484 6.255 4.845 1.00 75.32 H new ATOM 1157 N ILE A 76 3.887 4.000 1.506 1.00 2.22 N ATOM 1158 CA ILE A 76 3.222 2.776 1.943 1.00 54.45 C ATOM 1159 C ILE A 76 2.593 2.969 3.326 1.00 75.24 C ATOM 1160 O ILE A 76 3.148 3.664 4.184 1.00 5.42 O ATOM 1161 CB ILE A 76 4.201 1.569 1.966 1.00 74.24 C ATOM 1162 CG1 ILE A 76 4.843 1.389 0.579 1.00 4.25 C ATOM 1163 CG2 ILE A 76 3.480 0.289 2.397 1.00 41.40 C ATOM 1164 CD1 ILE A 76 5.865 0.275 0.506 1.00 75.32 C ATOM 0 H ILE A 76 4.802 4.156 1.929 1.00 2.22 H new ATOM 0 HA ILE A 76 2.435 2.557 1.221 1.00 54.45 H new ATOM 0 HB ILE A 76 4.986 1.772 2.695 1.00 74.24 H new ATOM 0 HG12 ILE A 76 4.057 1.193 -0.150 1.00 4.25 H new ATOM 0 HG13 ILE A 76 5.321 2.325 0.289 1.00 4.25 H new ATOM 0 HG21 ILE A 76 4.186 -0.541 2.405 1.00 41.40 H new ATOM 0 HG22 ILE A 76 3.066 0.423 3.396 1.00 41.40 H new ATOM 0 HG23 ILE A 76 2.673 0.072 1.697 1.00 41.40 H new ATOM 0 HD11 ILE A 76 6.268 0.217 -0.505 1.00 75.32 H new ATOM 0 HD12 ILE A 76 6.674 0.477 1.208 1.00 75.32 H new ATOM 0 HD13 ILE A 76 5.390 -0.672 0.763 1.00 75.32 H new ATOM 1176 N TYR A 77 1.424 2.369 3.512 1.00 34.45 N ATOM 1177 CA TYR A 77 0.676 2.431 4.763 1.00 33.42 C ATOM 1178 C TYR A 77 0.319 1.016 5.204 1.00 44.44 C ATOM 1179 O TYR A 77 0.477 0.069 4.432 1.00 31.33 O ATOM 1180 CB TYR A 77 -0.608 3.257 4.575 1.00 34.22 C ATOM 1181 CG TYR A 77 -0.367 4.734 4.302 1.00 44.42 C ATOM 1182 CD1 TYR A 77 0.125 5.170 3.077 1.00 44.22 C ATOM 1183 CD2 TYR A 77 -0.634 5.691 5.273 1.00 4.12 C ATOM 1184 CE1 TYR A 77 0.346 6.514 2.832 1.00 4.23 C ATOM 1185 CE2 TYR A 77 -0.418 7.034 5.033 1.00 74.23 C ATOM 1186 CZ TYR A 77 0.073 7.440 3.813 1.00 35.12 C ATOM 1187 OH TYR A 77 0.297 8.778 3.578 1.00 11.31 O ATOM 0 H TYR A 77 0.962 1.818 2.789 1.00 34.45 H new ATOM 0 HA TYR A 77 1.290 2.910 5.526 1.00 33.42 H new ATOM 0 HB2 TYR A 77 -1.180 2.835 3.748 1.00 34.22 H new ATOM 0 HB3 TYR A 77 -1.223 3.160 5.470 1.00 34.22 H new ATOM 0 HD1 TYR A 77 0.338 4.447 2.303 1.00 44.22 H new ATOM 0 HD2 TYR A 77 -1.018 5.379 6.233 1.00 4.12 H new ATOM 0 HE1 TYR A 77 0.731 6.835 1.875 1.00 4.23 H new ATOM 0 HE2 TYR A 77 -0.634 7.763 5.800 1.00 74.23 H new ATOM 0 HH TYR A 77 0.051 9.295 4.373 1.00 11.31 H new ATOM 1197 N LYS A 78 -0.155 0.877 6.438 1.00 24.40 N ATOM 1198 CA LYS A 78 -0.604 -0.416 6.951 1.00 15.11 C ATOM 1199 C LYS A 78 -1.754 -0.209 7.932 1.00 3.14 C ATOM 1200 O LYS A 78 -1.961 0.906 8.421 1.00 61.51 O ATOM 1201 CB LYS A 78 0.552 -1.166 7.645 1.00 62.05 C ATOM 1202 CG LYS A 78 0.776 -0.753 9.101 1.00 63.25 C ATOM 1203 CD LYS A 78 1.920 -1.525 9.753 1.00 15.14 C ATOM 1204 CE LYS A 78 3.281 -1.041 9.269 1.00 12.33 C ATOM 1205 NZ LYS A 78 3.506 0.394 9.608 1.00 23.31 N ATOM 0 H LYS A 78 -0.239 1.645 7.104 1.00 24.40 H new ATOM 0 HA LYS A 78 -0.947 -1.021 6.111 1.00 15.11 H new ATOM 0 HB2 LYS A 78 0.351 -2.237 7.609 1.00 62.05 H new ATOM 0 HB3 LYS A 78 1.471 -0.995 7.084 1.00 62.05 H new ATOM 0 HG2 LYS A 78 0.990 0.315 9.145 1.00 63.25 H new ATOM 0 HG3 LYS A 78 -0.140 -0.918 9.668 1.00 63.25 H new ATOM 0 HD2 LYS A 78 1.860 -1.416 10.836 1.00 15.14 H new ATOM 0 HD3 LYS A 78 1.813 -2.587 9.533 1.00 15.14 H new ATOM 0 HE2 LYS A 78 4.065 -1.649 9.720 1.00 12.33 H new ATOM 0 HE3 LYS A 78 3.353 -1.176 8.190 1.00 12.33 H new ATOM 0 HZ1 LYS A 78 4.319 0.755 9.069 1.00 23.31 H new ATOM 0 HZ2 LYS A 78 2.658 0.945 9.365 1.00 23.31 H new ATOM 0 HZ3 LYS A 78 3.698 0.484 10.626 1.00 23.31 H new ATOM 1219 N ILE A 79 -2.497 -1.275 8.222 1.00 42.24 N ATOM 1220 CA ILE A 79 -3.550 -1.219 9.230 1.00 30.24 C ATOM 1221 C ILE A 79 -2.929 -1.386 10.618 1.00 15.54 C ATOM 1222 O ILE A 79 -2.373 -2.437 10.940 1.00 52.12 O ATOM 1223 CB ILE A 79 -4.638 -2.301 9.004 1.00 63.32 C ATOM 1224 CG1 ILE A 79 -5.309 -2.110 7.630 1.00 74.34 C ATOM 1225 CG2 ILE A 79 -5.680 -2.254 10.125 1.00 32.40 C ATOM 1226 CD1 ILE A 79 -6.443 -3.081 7.356 1.00 2.42 C ATOM 0 H ILE A 79 -2.389 -2.185 7.774 1.00 42.24 H new ATOM 0 HA ILE A 79 -4.040 -0.248 9.149 1.00 30.24 H new ATOM 0 HB ILE A 79 -4.161 -3.281 9.020 1.00 63.32 H new ATOM 0 HG12 ILE A 79 -5.692 -1.092 7.563 1.00 74.34 H new ATOM 0 HG13 ILE A 79 -4.555 -2.219 6.851 1.00 74.34 H new ATOM 0 HG21 ILE A 79 -6.436 -3.020 9.951 1.00 32.40 H new ATOM 0 HG22 ILE A 79 -5.193 -2.436 11.083 1.00 32.40 H new ATOM 0 HG23 ILE A 79 -6.154 -1.273 10.140 1.00 32.40 H new ATOM 0 HD11 ILE A 79 -6.863 -2.881 6.370 1.00 2.42 H new ATOM 0 HD12 ILE A 79 -6.063 -4.102 7.389 1.00 2.42 H new ATOM 0 HD13 ILE A 79 -7.218 -2.958 8.112 1.00 2.42 H new ATOM 1238 N ASN A 80 -3.012 -0.332 11.422 1.00 51.13 N ATOM 1239 CA ASN A 80 -2.351 -0.301 12.727 1.00 51.11 C ATOM 1240 C ASN A 80 -3.052 -1.192 13.753 1.00 2.54 C ATOM 1241 O ASN A 80 -2.398 -1.832 14.577 1.00 74.04 O ATOM 1242 CB ASN A 80 -2.280 1.140 13.246 1.00 42.05 C ATOM 1243 CG ASN A 80 -1.620 1.242 14.613 1.00 54.20 C ATOM 1244 OD1 ASN A 80 -0.394 1.272 14.722 1.00 43.32 O ATOM 1245 ND2 ASN A 80 -2.425 1.322 15.661 1.00 71.43 N ATOM 0 H ASN A 80 -3.531 0.516 11.195 1.00 51.13 H new ATOM 0 HA ASN A 80 -1.343 -0.693 12.590 1.00 51.11 H new ATOM 0 HB2 ASN A 80 -1.726 1.751 12.534 1.00 42.05 H new ATOM 0 HB3 ASN A 80 -3.288 1.551 13.303 1.00 42.05 H new ATOM 0 HD21 ASN A 80 -2.034 1.412 16.599 1.00 71.43 H new ATOM 0 HD22 ASN A 80 -3.436 1.294 15.531 1.00 71.43 H new ATOM 1252 N ILE A 81 -4.379 -1.242 13.694 1.00 50.24 N ATOM 1253 CA ILE A 81 -5.159 -1.953 14.704 1.00 2.34 C ATOM 1254 C ILE A 81 -6.260 -2.800 14.061 1.00 73.21 C ATOM 1255 O ILE A 81 -6.876 -2.395 13.072 1.00 52.24 O ATOM 1256 CB ILE A 81 -5.778 -0.958 15.726 1.00 23.04 C ATOM 1257 CG1 ILE A 81 -6.487 -1.708 16.865 1.00 73.14 C ATOM 1258 CG2 ILE A 81 -6.740 0.005 15.036 1.00 5.25 C ATOM 1259 CD1 ILE A 81 -5.571 -2.603 17.670 1.00 50.22 C ATOM 0 H ILE A 81 -4.936 -0.801 12.962 1.00 50.24 H new ATOM 0 HA ILE A 81 -4.479 -2.621 15.233 1.00 2.34 H new ATOM 0 HB ILE A 81 -4.965 -0.375 16.158 1.00 23.04 H new ATOM 0 HG12 ILE A 81 -6.949 -0.982 17.533 1.00 73.14 H new ATOM 0 HG13 ILE A 81 -7.292 -2.311 16.445 1.00 73.14 H new ATOM 0 HG21 ILE A 81 -7.159 0.690 15.773 1.00 5.25 H new ATOM 0 HG22 ILE A 81 -6.203 0.573 14.276 1.00 5.25 H new ATOM 0 HG23 ILE A 81 -7.545 -0.560 14.566 1.00 5.25 H new ATOM 0 HD11 ILE A 81 -6.143 -3.098 18.455 1.00 50.22 H new ATOM 0 HD12 ILE A 81 -5.128 -3.354 17.015 1.00 50.22 H new ATOM 0 HD13 ILE A 81 -4.780 -2.003 18.121 1.00 50.22 H new ATOM 1271 N GLU A 82 -6.505 -3.973 14.649 1.00 53.35 N ATOM 1272 CA GLU A 82 -7.471 -4.943 14.121 1.00 62.40 C ATOM 1273 C GLU A 82 -8.891 -4.374 14.080 1.00 12.20 C ATOM 1274 O GLU A 82 -9.754 -4.897 13.373 1.00 41.33 O ATOM 1275 CB GLU A 82 -7.469 -6.237 14.953 1.00 62.04 C ATOM 1276 CG GLU A 82 -6.115 -6.935 15.045 1.00 71.21 C ATOM 1277 CD GLU A 82 -5.166 -6.273 16.032 1.00 4.42 C ATOM 1278 OE1 GLU A 82 -5.285 -6.541 17.248 1.00 33.50 O ATOM 1279 OE2 GLU A 82 -4.300 -5.485 15.601 1.00 54.30 O ATOM 0 H GLU A 82 -6.040 -4.278 15.504 1.00 53.35 H new ATOM 0 HA GLU A 82 -7.158 -5.167 13.101 1.00 62.40 H new ATOM 0 HB2 GLU A 82 -7.812 -6.005 15.961 1.00 62.04 H new ATOM 0 HB3 GLU A 82 -8.191 -6.931 14.522 1.00 62.04 H new ATOM 0 HG2 GLU A 82 -6.268 -7.974 15.339 1.00 71.21 H new ATOM 0 HG3 GLU A 82 -5.652 -6.948 14.058 1.00 71.21 H new ATOM 1286 N ASP A 83 -9.134 -3.310 14.841 1.00 62.21 N ATOM 1287 CA ASP A 83 -10.456 -2.682 14.889 1.00 53.12 C ATOM 1288 C ASP A 83 -10.742 -1.953 13.583 1.00 4.30 C ATOM 1289 O ASP A 83 -11.894 -1.729 13.215 1.00 50.21 O ATOM 1290 CB ASP A 83 -10.551 -1.699 16.063 1.00 2.44 C ATOM 1291 CG ASP A 83 -10.459 -2.389 17.412 1.00 1.32 C ATOM 1292 OD1 ASP A 83 -9.333 -2.575 17.919 1.00 74.33 O ATOM 1293 OD2 ASP A 83 -11.513 -2.749 17.976 1.00 23.12 O ATOM 0 H ASP A 83 -8.434 -2.863 15.434 1.00 62.21 H new ATOM 0 HA ASP A 83 -11.198 -3.467 15.031 1.00 53.12 H new ATOM 0 HB2 ASP A 83 -9.752 -0.962 15.981 1.00 2.44 H new ATOM 0 HB3 ASP A 83 -11.493 -1.155 16.001 1.00 2.44 H new ATOM 1298 N ASN A 84 -9.677 -1.603 12.872 1.00 61.42 N ATOM 1299 CA ASN A 84 -9.789 -0.902 11.593 1.00 22.05 C ATOM 1300 C ASN A 84 -9.703 -1.891 10.430 1.00 41.04 C ATOM 1301 O ASN A 84 -9.417 -1.514 9.293 1.00 74.33 O ATOM 1302 CB ASN A 84 -8.700 0.177 11.483 1.00 50.24 C ATOM 1303 CG ASN A 84 -8.955 1.356 12.413 1.00 55.24 C ATOM 1304 OD1 ASN A 84 -10.100 1.700 12.697 1.00 33.12 O ATOM 1305 ND2 ASN A 84 -7.894 1.990 12.888 1.00 2.10 N ATOM 0 H ASN A 84 -8.717 -1.794 13.160 1.00 61.42 H new ATOM 0 HA ASN A 84 -10.761 -0.412 11.544 1.00 22.05 H new ATOM 0 HB2 ASN A 84 -7.731 -0.264 11.717 1.00 50.24 H new ATOM 0 HB3 ASN A 84 -8.648 0.534 10.454 1.00 50.24 H new ATOM 0 HD21 ASN A 84 -8.014 2.790 13.510 1.00 2.10 H new ATOM 0 HD22 ASN A 84 -6.957 1.679 12.632 1.00 2.10 H new ATOM 1312 N GLN A 85 -9.980 -3.160 10.726 1.00 70.15 N ATOM 1313 CA GLN A 85 -10.003 -4.215 9.709 1.00 31.13 C ATOM 1314 C GLN A 85 -11.229 -4.053 8.807 1.00 23.04 C ATOM 1315 O GLN A 85 -11.310 -4.654 7.735 1.00 1.30 O ATOM 1316 CB GLN A 85 -10.018 -5.591 10.393 1.00 25.14 C ATOM 1317 CG GLN A 85 -10.008 -6.775 9.430 1.00 44.05 C ATOM 1318 CD GLN A 85 -10.049 -8.120 10.142 1.00 13.33 C ATOM 1319 OE1 GLN A 85 -9.458 -8.188 11.325 1.00 45.45 O flip ATOM 1320 NE2 GLN A 85 -10.599 -9.094 9.628 1.00 24.44 N flip ATOM 0 H GLN A 85 -10.193 -3.486 11.669 1.00 70.15 H new ATOM 0 HA GLN A 85 -9.109 -4.137 9.091 1.00 31.13 H new ATOM 0 HB2 GLN A 85 -9.152 -5.666 11.050 1.00 25.14 H new ATOM 0 HB3 GLN A 85 -10.904 -5.660 11.024 1.00 25.14 H new ATOM 0 HG2 GLN A 85 -10.864 -6.699 8.760 1.00 44.05 H new ATOM 0 HG3 GLN A 85 -9.113 -6.725 8.810 1.00 44.05 H new ATOM 0 HE21 GLN A 85 -11.045 -9.005 8.715 1.00 24.44 H new ATOM 0 HE22 GLN A 85 -10.609 -9.990 10.115 1.00 24.44 H new ATOM 1329 N ASP A 86 -12.168 -3.219 9.259 1.00 32.32 N ATOM 1330 CA ASP A 86 -13.421 -2.952 8.541 1.00 22.12 C ATOM 1331 C ASP A 86 -13.181 -2.727 7.046 1.00 13.42 C ATOM 1332 O ASP A 86 -13.913 -3.253 6.208 1.00 54.21 O ATOM 1333 CB ASP A 86 -14.114 -1.725 9.153 1.00 44.21 C ATOM 1334 CG ASP A 86 -15.396 -1.332 8.430 1.00 33.11 C ATOM 1335 OD1 ASP A 86 -16.453 -1.942 8.704 1.00 41.40 O ATOM 1336 OD2 ASP A 86 -15.362 -0.390 7.611 1.00 15.04 O ATOM 0 H ASP A 86 -12.082 -2.707 10.137 1.00 32.32 H new ATOM 0 HA ASP A 86 -14.062 -3.828 8.643 1.00 22.12 H new ATOM 0 HB2 ASP A 86 -14.343 -1.930 10.199 1.00 44.21 H new ATOM 0 HB3 ASP A 86 -13.424 -0.882 9.138 1.00 44.21 H new ATOM 1341 N VAL A 87 -12.130 -1.971 6.727 1.00 44.24 N ATOM 1342 CA VAL A 87 -11.788 -1.654 5.337 1.00 1.53 C ATOM 1343 C VAL A 87 -11.674 -2.927 4.490 1.00 50.44 C ATOM 1344 O VAL A 87 -12.169 -2.983 3.358 1.00 21.35 O ATOM 1345 CB VAL A 87 -10.453 -0.867 5.251 1.00 14.14 C ATOM 1346 CG1 VAL A 87 -10.134 -0.489 3.804 1.00 72.51 C ATOM 1347 CG2 VAL A 87 -10.497 0.374 6.139 1.00 41.24 C ATOM 0 H VAL A 87 -11.497 -1.564 7.415 1.00 44.24 H new ATOM 0 HA VAL A 87 -12.594 -1.034 4.946 1.00 1.53 H new ATOM 0 HB VAL A 87 -9.655 -1.515 5.613 1.00 14.14 H new ATOM 0 HG11 VAL A 87 -9.194 0.062 3.771 1.00 72.51 H new ATOM 0 HG12 VAL A 87 -10.046 -1.394 3.202 1.00 72.51 H new ATOM 0 HG13 VAL A 87 -10.934 0.135 3.406 1.00 72.51 H new ATOM 0 HG21 VAL A 87 -9.551 0.910 6.063 1.00 41.24 H new ATOM 0 HG22 VAL A 87 -11.309 1.024 5.815 1.00 41.24 H new ATOM 0 HG23 VAL A 87 -10.662 0.075 7.174 1.00 41.24 H new ATOM 1357 N ALA A 88 -11.044 -3.953 5.061 1.00 50.13 N ATOM 1358 CA ALA A 88 -10.824 -5.215 4.359 1.00 20.44 C ATOM 1359 C ALA A 88 -12.156 -5.890 4.043 1.00 60.51 C ATOM 1360 O ALA A 88 -12.400 -6.320 2.912 1.00 35.33 O ATOM 1361 CB ALA A 88 -9.940 -6.140 5.194 1.00 35.43 C ATOM 0 H ALA A 88 -10.676 -3.934 6.012 1.00 50.13 H new ATOM 0 HA ALA A 88 -10.314 -5.004 3.419 1.00 20.44 H new ATOM 0 HB1 ALA A 88 -9.785 -7.076 4.658 1.00 35.43 H new ATOM 0 HB2 ALA A 88 -8.978 -5.660 5.372 1.00 35.43 H new ATOM 0 HB3 ALA A 88 -10.426 -6.344 6.148 1.00 35.43 H new ATOM 1367 N THR A 89 -13.022 -5.952 5.046 1.00 64.11 N ATOM 1368 CA THR A 89 -14.321 -6.598 4.911 1.00 10.52 C ATOM 1369 C THR A 89 -15.217 -5.830 3.934 1.00 52.15 C ATOM 1370 O THR A 89 -15.985 -6.431 3.175 1.00 14.01 O ATOM 1371 CB THR A 89 -15.013 -6.713 6.289 1.00 31.51 C ATOM 1372 OG1 THR A 89 -14.102 -7.301 7.230 1.00 55.21 O ATOM 1373 CG2 THR A 89 -16.280 -7.560 6.209 1.00 4.23 C ATOM 0 H THR A 89 -12.846 -5.559 5.970 1.00 64.11 H new ATOM 0 HA THR A 89 -14.159 -7.600 4.513 1.00 10.52 H new ATOM 0 HB THR A 89 -15.296 -5.712 6.613 1.00 31.51 H new ATOM 0 HG1 THR A 89 -14.537 -7.374 8.105 1.00 55.21 H new ATOM 0 HG21 THR A 89 -16.741 -7.620 7.195 1.00 4.23 H new ATOM 0 HG22 THR A 89 -16.979 -7.103 5.509 1.00 4.23 H new ATOM 0 HG23 THR A 89 -16.026 -8.563 5.866 1.00 4.23 H new ATOM 1381 N GLN A 90 -15.095 -4.502 3.941 1.00 62.30 N ATOM 1382 CA GLN A 90 -15.873 -3.650 3.046 1.00 60.45 C ATOM 1383 C GLN A 90 -15.467 -3.876 1.592 1.00 34.35 C ATOM 1384 O GLN A 90 -16.324 -4.054 0.723 1.00 21.22 O ATOM 1385 CB GLN A 90 -15.701 -2.173 3.421 1.00 74.01 C ATOM 1386 CG GLN A 90 -16.314 -1.806 4.765 1.00 23.43 C ATOM 1387 CD GLN A 90 -17.816 -2.040 4.810 1.00 4.00 C ATOM 1388 OE1 GLN A 90 -18.281 -3.117 5.187 1.00 4.10 O ATOM 1389 NE2 GLN A 90 -18.585 -1.038 4.411 1.00 15.43 N ATOM 0 H GLN A 90 -14.463 -3.994 4.559 1.00 62.30 H new ATOM 0 HA GLN A 90 -16.924 -3.917 3.156 1.00 60.45 H new ATOM 0 HB2 GLN A 90 -14.638 -1.934 3.439 1.00 74.01 H new ATOM 0 HB3 GLN A 90 -16.153 -1.556 2.645 1.00 74.01 H new ATOM 0 HG2 GLN A 90 -15.836 -2.392 5.550 1.00 23.43 H new ATOM 0 HG3 GLN A 90 -16.107 -0.757 4.979 1.00 23.43 H new ATOM 0 HE21 GLN A 90 -18.163 -0.161 4.106 1.00 15.43 H new ATOM 0 HE22 GLN A 90 -19.600 -1.143 4.409 1.00 15.43 H new ATOM 1398 N TYR A 91 -14.160 -3.871 1.339 1.00 3.30 N ATOM 1399 CA TYR A 91 -13.632 -4.108 -0.005 1.00 42.33 C ATOM 1400 C TYR A 91 -13.810 -5.570 -0.413 1.00 5.33 C ATOM 1401 O TYR A 91 -13.856 -5.889 -1.602 1.00 52.41 O ATOM 1402 CB TYR A 91 -12.152 -3.698 -0.082 1.00 33.40 C ATOM 1403 CG TYR A 91 -11.942 -2.198 -0.213 1.00 61.41 C ATOM 1404 CD1 TYR A 91 -12.469 -1.315 0.724 1.00 61.12 C ATOM 1405 CD2 TYR A 91 -11.226 -1.668 -1.281 1.00 64.21 C ATOM 1406 CE1 TYR A 91 -12.291 0.051 0.597 1.00 55.33 C ATOM 1407 CE2 TYR A 91 -11.041 -0.307 -1.411 1.00 12.04 C ATOM 1408 CZ TYR A 91 -11.577 0.548 -0.473 1.00 45.04 C ATOM 1409 OH TYR A 91 -11.398 1.906 -0.608 1.00 32.31 O ATOM 0 H TYR A 91 -13.445 -3.705 2.047 1.00 3.30 H new ATOM 0 HA TYR A 91 -14.197 -3.493 -0.705 1.00 42.33 H new ATOM 0 HB2 TYR A 91 -11.639 -4.052 0.812 1.00 33.40 H new ATOM 0 HB3 TYR A 91 -11.689 -4.197 -0.933 1.00 33.40 H new ATOM 0 HD1 TYR A 91 -13.026 -1.702 1.564 1.00 61.12 H new ATOM 0 HD2 TYR A 91 -10.807 -2.333 -2.022 1.00 64.21 H new ATOM 0 HE1 TYR A 91 -12.709 0.724 1.331 1.00 55.33 H new ATOM 0 HE2 TYR A 91 -10.478 0.087 -2.245 1.00 12.04 H new ATOM 0 HH TYR A 91 -10.872 2.088 -1.414 1.00 32.31 H new ATOM 1419 N GLY A 92 -13.912 -6.452 0.578 1.00 52.04 N ATOM 1420 CA GLY A 92 -14.162 -7.858 0.308 1.00 2.41 C ATOM 1421 C GLY A 92 -12.888 -8.643 0.054 1.00 73.02 C ATOM 1422 O GLY A 92 -12.846 -9.512 -0.824 1.00 10.24 O ATOM 0 H GLY A 92 -13.826 -6.217 1.567 1.00 52.04 H new ATOM 0 HA2 GLY A 92 -14.692 -8.297 1.153 1.00 2.41 H new ATOM 0 HA3 GLY A 92 -14.817 -7.946 -0.559 1.00 2.41 H new ATOM 1426 N VAL A 93 -11.845 -8.333 0.816 1.00 65.43 N ATOM 1427 CA VAL A 93 -10.576 -9.042 0.714 1.00 13.34 C ATOM 1428 C VAL A 93 -10.571 -10.226 1.687 1.00 24.20 C ATOM 1429 O VAL A 93 -10.823 -10.057 2.881 1.00 32.44 O ATOM 1430 CB VAL A 93 -9.381 -8.100 1.013 1.00 40.25 C ATOM 1431 CG1 VAL A 93 -8.052 -8.807 0.758 1.00 65.11 C ATOM 1432 CG2 VAL A 93 -9.485 -6.814 0.188 1.00 52.34 C ATOM 0 H VAL A 93 -11.855 -7.590 1.515 1.00 65.43 H new ATOM 0 HA VAL A 93 -10.466 -9.408 -0.307 1.00 13.34 H new ATOM 0 HB VAL A 93 -9.419 -7.829 2.068 1.00 40.25 H new ATOM 0 HG11 VAL A 93 -7.230 -8.125 0.975 1.00 65.11 H new ATOM 0 HG12 VAL A 93 -7.977 -9.683 1.402 1.00 65.11 H new ATOM 0 HG13 VAL A 93 -8.000 -9.118 -0.285 1.00 65.11 H new ATOM 0 HG21 VAL A 93 -8.637 -6.168 0.413 1.00 52.34 H new ATOM 0 HG22 VAL A 93 -9.481 -7.061 -0.874 1.00 52.34 H new ATOM 0 HG23 VAL A 93 -10.412 -6.296 0.436 1.00 52.34 H new ATOM 1442 N SER A 94 -10.303 -11.421 1.170 1.00 61.21 N ATOM 1443 CA SER A 94 -10.375 -12.646 1.963 1.00 75.31 C ATOM 1444 C SER A 94 -8.975 -13.157 2.331 1.00 52.13 C ATOM 1445 O SER A 94 -8.810 -14.315 2.722 1.00 43.14 O ATOM 1446 CB SER A 94 -11.155 -13.715 1.181 1.00 43.40 C ATOM 1447 OG SER A 94 -11.343 -14.894 1.948 1.00 11.13 O ATOM 0 H SER A 94 -10.032 -11.569 0.198 1.00 61.21 H new ATOM 0 HA SER A 94 -10.896 -12.428 2.895 1.00 75.31 H new ATOM 0 HB2 SER A 94 -12.125 -13.315 0.886 1.00 43.40 H new ATOM 0 HB3 SER A 94 -10.618 -13.959 0.264 1.00 43.40 H new ATOM 0 HG SER A 94 -10.511 -15.117 2.415 1.00 11.13 H new ATOM 1453 N ALA A 95 -7.975 -12.287 2.222 1.00 53.34 N ATOM 1454 CA ALA A 95 -6.594 -12.640 2.557 1.00 0.32 C ATOM 1455 C ALA A 95 -6.019 -11.635 3.551 1.00 34.11 C ATOM 1456 O ALA A 95 -6.262 -10.432 3.433 1.00 71.42 O ATOM 1457 CB ALA A 95 -5.741 -12.703 1.294 1.00 43.40 C ATOM 0 H ALA A 95 -8.094 -11.326 1.902 1.00 53.34 H new ATOM 0 HA ALA A 95 -6.586 -13.626 3.022 1.00 0.32 H new ATOM 0 HB1 ALA A 95 -4.717 -12.966 1.559 1.00 43.40 H new ATOM 0 HB2 ALA A 95 -6.146 -13.456 0.618 1.00 43.40 H new ATOM 0 HB3 ALA A 95 -5.749 -11.731 0.800 1.00 43.40 H new ATOM 1463 N ILE A 96 -5.258 -12.128 4.527 1.00 73.32 N ATOM 1464 CA ILE A 96 -4.708 -11.272 5.578 1.00 70.01 C ATOM 1465 C ILE A 96 -3.485 -10.490 5.068 1.00 31.50 C ATOM 1466 O ILE A 96 -3.479 -9.260 5.124 1.00 74.45 O ATOM 1467 CB ILE A 96 -4.341 -12.071 6.868 1.00 73.52 C ATOM 1468 CG1 ILE A 96 -5.597 -12.666 7.538 1.00 42.11 C ATOM 1469 CG2 ILE A 96 -3.586 -11.183 7.858 1.00 21.34 C ATOM 1470 CD1 ILE A 96 -6.276 -13.767 6.746 1.00 15.34 C ATOM 0 H ILE A 96 -5.008 -13.113 4.612 1.00 73.32 H new ATOM 0 HA ILE A 96 -5.493 -10.565 5.846 1.00 70.01 H new ATOM 0 HB ILE A 96 -3.693 -12.895 6.570 1.00 73.52 H new ATOM 0 HG12 ILE A 96 -5.319 -13.059 8.516 1.00 42.11 H new ATOM 0 HG13 ILE A 96 -6.315 -11.864 7.709 1.00 42.11 H new ATOM 0 HG21 ILE A 96 -3.340 -11.760 8.750 1.00 21.34 H new ATOM 0 HG22 ILE A 96 -2.668 -10.821 7.395 1.00 21.34 H new ATOM 0 HG23 ILE A 96 -4.211 -10.334 8.136 1.00 21.34 H new ATOM 0 HD11 ILE A 96 -7.148 -14.124 7.294 1.00 15.34 H new ATOM 0 HD12 ILE A 96 -6.590 -13.378 5.778 1.00 15.34 H new ATOM 0 HD13 ILE A 96 -5.578 -14.591 6.597 1.00 15.34 H new ATOM 1482 N PRO A 97 -2.433 -11.170 4.552 1.00 10.41 N ATOM 1483 CA PRO A 97 -1.249 -10.480 4.035 1.00 74.51 C ATOM 1484 C PRO A 97 -1.486 -9.940 2.625 1.00 60.34 C ATOM 1485 O PRO A 97 -1.066 -10.539 1.631 1.00 23.15 O ATOM 1486 CB PRO A 97 -0.178 -11.574 4.046 1.00 73.34 C ATOM 1487 CG PRO A 97 -0.937 -12.838 3.806 1.00 34.50 C ATOM 1488 CD PRO A 97 -2.306 -12.640 4.419 1.00 64.41 C ATOM 0 HA PRO A 97 -0.972 -9.606 4.625 1.00 74.51 H new ATOM 0 HB2 PRO A 97 0.570 -11.406 3.271 1.00 73.34 H new ATOM 0 HB3 PRO A 97 0.351 -11.603 4.999 1.00 73.34 H new ATOM 0 HG2 PRO A 97 -1.016 -13.046 2.739 1.00 34.50 H new ATOM 0 HG3 PRO A 97 -0.428 -13.688 4.260 1.00 34.50 H new ATOM 0 HD2 PRO A 97 -3.090 -13.052 3.784 1.00 64.41 H new ATOM 0 HD3 PRO A 97 -2.385 -13.136 5.386 1.00 64.41 H new ATOM 1496 N THR A 98 -2.184 -8.814 2.546 1.00 32.54 N ATOM 1497 CA THR A 98 -2.559 -8.232 1.267 1.00 52.21 C ATOM 1498 C THR A 98 -2.134 -6.764 1.182 1.00 63.21 C ATOM 1499 O THR A 98 -2.315 -5.994 2.133 1.00 63.45 O ATOM 1500 CB THR A 98 -4.085 -8.343 1.045 1.00 23.01 C ATOM 1501 OG1 THR A 98 -4.513 -9.693 1.273 1.00 0.14 O ATOM 1502 CG2 THR A 98 -4.477 -7.926 -0.370 1.00 30.51 C ATOM 0 H THR A 98 -2.502 -8.285 3.358 1.00 32.54 H new ATOM 0 HA THR A 98 -2.041 -8.790 0.487 1.00 52.21 H new ATOM 0 HB THR A 98 -4.573 -7.670 1.750 1.00 23.01 H new ATOM 0 HG1 THR A 98 -5.113 -9.720 2.048 1.00 0.14 H new ATOM 0 HG21 THR A 98 -5.557 -8.017 -0.490 1.00 30.51 H new ATOM 0 HG22 THR A 98 -4.179 -6.892 -0.540 1.00 30.51 H new ATOM 0 HG23 THR A 98 -3.976 -8.572 -1.091 1.00 30.51 H new ATOM 1510 N ILE A 99 -1.556 -6.399 0.035 1.00 62.12 N ATOM 1511 CA ILE A 99 -1.150 -5.026 -0.249 1.00 22.45 C ATOM 1512 C ILE A 99 -2.055 -4.434 -1.329 1.00 3.52 C ATOM 1513 O ILE A 99 -2.023 -4.862 -2.485 1.00 22.41 O ATOM 1514 CB ILE A 99 0.329 -4.942 -0.734 1.00 45.24 C ATOM 1515 CG1 ILE A 99 1.316 -5.328 0.389 1.00 31.35 C ATOM 1516 CG2 ILE A 99 0.654 -3.539 -1.257 1.00 5.11 C ATOM 1517 CD1 ILE A 99 1.323 -6.803 0.745 1.00 51.14 C ATOM 0 H ILE A 99 -1.357 -7.052 -0.723 1.00 62.12 H new ATOM 0 HA ILE A 99 -1.239 -4.463 0.680 1.00 22.45 H new ATOM 0 HB ILE A 99 0.443 -5.657 -1.549 1.00 45.24 H new ATOM 0 HG12 ILE A 99 2.322 -5.036 0.087 1.00 31.35 H new ATOM 0 HG13 ILE A 99 1.072 -4.753 1.282 1.00 31.35 H new ATOM 0 HG21 ILE A 99 1.692 -3.506 -1.589 1.00 5.11 H new ATOM 0 HG22 ILE A 99 -0.003 -3.301 -2.094 1.00 5.11 H new ATOM 0 HG23 ILE A 99 0.505 -2.810 -0.460 1.00 5.11 H new ATOM 0 HD11 ILE A 99 2.045 -6.982 1.542 1.00 51.14 H new ATOM 0 HD12 ILE A 99 0.330 -7.101 1.082 1.00 51.14 H new ATOM 0 HD13 ILE A 99 1.599 -7.388 -0.132 1.00 51.14 H new ATOM 1529 N LEU A 100 -2.870 -3.463 -0.945 1.00 61.15 N ATOM 1530 CA LEU A 100 -3.751 -2.777 -1.882 1.00 63.52 C ATOM 1531 C LEU A 100 -3.013 -1.591 -2.492 1.00 61.34 C ATOM 1532 O LEU A 100 -2.245 -0.916 -1.808 1.00 43.02 O ATOM 1533 CB LEU A 100 -5.034 -2.297 -1.178 1.00 10.22 C ATOM 1534 CG LEU A 100 -6.013 -3.402 -0.729 1.00 2.40 C ATOM 1535 CD1 LEU A 100 -5.377 -4.319 0.313 1.00 70.03 C ATOM 1536 CD2 LEU A 100 -7.307 -2.790 -0.191 1.00 1.42 C ATOM 0 H LEU A 100 -2.940 -3.129 0.016 1.00 61.15 H new ATOM 0 HA LEU A 100 -4.039 -3.474 -2.669 1.00 63.52 H new ATOM 0 HB2 LEU A 100 -4.748 -1.715 -0.302 1.00 10.22 H new ATOM 0 HB3 LEU A 100 -5.563 -1.622 -1.851 1.00 10.22 H new ATOM 0 HG LEU A 100 -6.254 -4.008 -1.602 1.00 2.40 H new ATOM 0 HD11 LEU A 100 -6.093 -5.086 0.608 1.00 70.03 H new ATOM 0 HD12 LEU A 100 -4.492 -4.793 -0.111 1.00 70.03 H new ATOM 0 HD13 LEU A 100 -5.092 -3.734 1.187 1.00 70.03 H new ATOM 0 HD21 LEU A 100 -7.984 -3.586 0.120 1.00 1.42 H new ATOM 0 HD22 LEU A 100 -7.080 -2.152 0.663 1.00 1.42 H new ATOM 0 HD23 LEU A 100 -7.781 -2.196 -0.972 1.00 1.42 H new ATOM 1548 N MET A 101 -3.227 -1.351 -3.779 1.00 41.03 N ATOM 1549 CA MET A 101 -2.571 -0.247 -4.471 1.00 44.23 C ATOM 1550 C MET A 101 -3.594 0.830 -4.814 1.00 1.10 C ATOM 1551 O MET A 101 -4.729 0.521 -5.176 1.00 4.14 O ATOM 1552 CB MET A 101 -1.882 -0.746 -5.755 1.00 5.34 C ATOM 1553 CG MET A 101 -0.973 -1.950 -5.540 1.00 65.13 C ATOM 1554 SD MET A 101 0.183 -2.201 -6.900 1.00 40.13 S ATOM 1555 CE MET A 101 1.183 -0.719 -6.768 1.00 25.50 C ATOM 0 H MET A 101 -3.850 -1.906 -4.366 1.00 41.03 H new ATOM 0 HA MET A 101 -1.812 0.175 -3.812 1.00 44.23 H new ATOM 0 HB2 MET A 101 -2.646 -1.006 -6.488 1.00 5.34 H new ATOM 0 HB3 MET A 101 -1.296 0.068 -6.181 1.00 5.34 H new ATOM 0 HG2 MET A 101 -0.414 -1.817 -4.614 1.00 65.13 H new ATOM 0 HG3 MET A 101 -1.584 -2.844 -5.418 1.00 65.13 H new ATOM 0 HE1 MET A 101 2.239 -0.989 -6.789 1.00 25.50 H new ATOM 0 HE2 MET A 101 0.962 -0.055 -7.604 1.00 25.50 H new ATOM 0 HE3 MET A 101 0.957 -0.210 -5.831 1.00 25.50 H new ATOM 1565 N PHE A 102 -3.193 2.090 -4.669 1.00 64.22 N ATOM 1566 CA PHE A 102 -4.011 3.240 -5.057 1.00 64.20 C ATOM 1567 C PHE A 102 -3.088 4.349 -5.546 1.00 72.30 C ATOM 1568 O PHE A 102 -1.989 4.499 -5.022 1.00 55.41 O ATOM 1569 CB PHE A 102 -4.848 3.748 -3.868 1.00 70.31 C ATOM 1570 CG PHE A 102 -5.828 2.736 -3.328 1.00 35.13 C ATOM 1571 CD1 PHE A 102 -7.064 2.558 -3.934 1.00 4.32 C ATOM 1572 CD2 PHE A 102 -5.510 1.961 -2.222 1.00 64.23 C ATOM 1573 CE1 PHE A 102 -7.961 1.627 -3.446 1.00 63.21 C ATOM 1574 CE2 PHE A 102 -6.403 1.027 -1.733 1.00 24.53 C ATOM 1575 CZ PHE A 102 -7.630 0.860 -2.345 1.00 43.41 C ATOM 0 H PHE A 102 -2.287 2.345 -4.277 1.00 64.22 H new ATOM 0 HA PHE A 102 -4.698 2.939 -5.848 1.00 64.20 H new ATOM 0 HB2 PHE A 102 -4.174 4.050 -3.066 1.00 70.31 H new ATOM 0 HB3 PHE A 102 -5.395 4.639 -4.177 1.00 70.31 H new ATOM 0 HD1 PHE A 102 -7.327 3.153 -4.796 1.00 4.32 H new ATOM 0 HD2 PHE A 102 -4.553 2.089 -1.738 1.00 64.23 H new ATOM 0 HE1 PHE A 102 -8.921 1.499 -3.925 1.00 63.21 H new ATOM 0 HE2 PHE A 102 -6.142 0.428 -0.873 1.00 24.53 H new ATOM 0 HZ PHE A 102 -8.330 0.131 -1.964 1.00 43.41 H new ATOM 1585 N LYS A 103 -3.505 5.121 -6.546 1.00 12.34 N ATOM 1586 CA LYS A 103 -2.651 6.209 -7.045 1.00 61.55 C ATOM 1587 C LYS A 103 -3.409 7.529 -7.042 1.00 63.45 C ATOM 1588 O LYS A 103 -4.256 7.764 -7.896 1.00 41.35 O ATOM 1589 CB LYS A 103 -2.121 5.908 -8.459 1.00 12.10 C ATOM 1590 CG LYS A 103 -1.017 6.870 -8.904 1.00 34.41 C ATOM 1591 CD LYS A 103 -0.462 6.535 -10.288 1.00 35.50 C ATOM 1592 CE LYS A 103 -1.461 6.839 -11.400 1.00 0.44 C ATOM 1593 NZ LYS A 103 -0.877 6.601 -12.747 1.00 52.41 N ATOM 0 H LYS A 103 -4.403 5.023 -7.020 1.00 12.34 H new ATOM 0 HA LYS A 103 -1.796 6.288 -6.373 1.00 61.55 H new ATOM 0 HB2 LYS A 103 -1.739 4.888 -8.488 1.00 12.10 H new ATOM 0 HB3 LYS A 103 -2.947 5.959 -9.169 1.00 12.10 H new ATOM 0 HG2 LYS A 103 -1.409 7.887 -8.911 1.00 34.41 H new ATOM 0 HG3 LYS A 103 -0.206 6.846 -8.177 1.00 34.41 H new ATOM 0 HD2 LYS A 103 0.452 7.104 -10.458 1.00 35.50 H new ATOM 0 HD3 LYS A 103 -0.192 5.480 -10.323 1.00 35.50 H new ATOM 0 HE2 LYS A 103 -2.347 6.217 -11.273 1.00 0.44 H new ATOM 0 HE3 LYS A 103 -1.786 7.876 -11.323 1.00 0.44 H new ATOM 0 HZ1 LYS A 103 -0.860 7.493 -13.281 1.00 52.41 H new ATOM 0 HZ2 LYS A 103 0.093 6.240 -12.646 1.00 52.41 H new ATOM 0 HZ3 LYS A 103 -1.455 5.903 -13.257 1.00 52.41 H new ATOM 1607 N ASN A 104 -3.085 8.385 -6.075 1.00 12.41 N ATOM 1608 CA ASN A 104 -3.741 9.685 -5.923 1.00 74.01 C ATOM 1609 C ASN A 104 -5.264 9.529 -5.923 1.00 14.33 C ATOM 1610 O ASN A 104 -5.985 10.233 -6.634 1.00 24.14 O ATOM 1611 CB ASN A 104 -3.290 10.645 -7.033 1.00 32.43 C ATOM 1612 CG ASN A 104 -3.789 12.066 -6.817 1.00 62.33 C ATOM 1613 OD1 ASN A 104 -4.038 12.775 -7.906 1.00 34.12 O flip ATOM 1614 ND2 ASN A 104 -3.943 12.519 -5.680 1.00 53.12 N flip ATOM 0 H ASN A 104 -2.364 8.200 -5.377 1.00 12.41 H new ATOM 0 HA ASN A 104 -3.447 10.108 -4.963 1.00 74.01 H new ATOM 0 HB2 ASN A 104 -2.201 10.650 -7.083 1.00 32.43 H new ATOM 0 HB3 ASN A 104 -3.652 10.279 -7.994 1.00 32.43 H new ATOM 0 HD21 ASN A 104 -3.739 11.937 -4.867 1.00 53.12 H new ATOM 0 HD22 ASN A 104 -4.274 13.475 -5.553 1.00 53.12 H new ATOM 1621 N GLY A 105 -5.742 8.573 -5.135 1.00 52.34 N ATOM 1622 CA GLY A 105 -7.170 8.326 -5.023 1.00 43.21 C ATOM 1623 C GLY A 105 -7.703 7.423 -6.122 1.00 3.31 C ATOM 1624 O GLY A 105 -8.806 6.888 -6.004 1.00 73.30 O ATOM 0 H GLY A 105 -5.160 7.958 -4.566 1.00 52.34 H new ATOM 0 HA2 GLY A 105 -7.380 7.873 -4.054 1.00 43.21 H new ATOM 0 HA3 GLY A 105 -7.701 9.277 -5.052 1.00 43.21 H new ATOM 1628 N LYS A 106 -6.927 7.253 -7.193 1.00 11.40 N ATOM 1629 CA LYS A 106 -7.326 6.400 -8.314 1.00 14.01 C ATOM 1630 C LYS A 106 -7.302 4.935 -7.903 1.00 55.11 C ATOM 1631 O LYS A 106 -6.332 4.479 -7.276 1.00 60.40 O ATOM 1632 CB LYS A 106 -6.382 6.597 -9.509 1.00 15.15 C ATOM 1633 CG LYS A 106 -6.794 5.826 -10.763 1.00 52.14 C ATOM 1634 CD LYS A 106 -5.704 5.857 -11.834 1.00 21.14 C ATOM 1635 CE LYS A 106 -5.325 7.282 -12.225 1.00 22.44 C ATOM 1636 NZ LYS A 106 -6.471 8.033 -12.803 1.00 61.52 N ATOM 0 H LYS A 106 -6.016 7.696 -7.308 1.00 11.40 H new ATOM 0 HA LYS A 106 -8.338 6.682 -8.603 1.00 14.01 H new ATOM 0 HB2 LYS A 106 -6.333 7.659 -9.748 1.00 15.15 H new ATOM 0 HB3 LYS A 106 -5.377 6.289 -9.220 1.00 15.15 H new ATOM 0 HG2 LYS A 106 -7.013 4.792 -10.498 1.00 52.14 H new ATOM 0 HG3 LYS A 106 -7.712 6.253 -11.167 1.00 52.14 H new ATOM 0 HD2 LYS A 106 -4.820 5.335 -11.467 1.00 21.14 H new ATOM 0 HD3 LYS A 106 -6.048 5.319 -12.717 1.00 21.14 H new ATOM 0 HE2 LYS A 106 -4.953 7.810 -11.347 1.00 22.44 H new ATOM 0 HE3 LYS A 106 -4.510 7.253 -12.949 1.00 22.44 H new ATOM 0 HZ1 LYS A 106 -6.146 8.965 -13.131 1.00 61.52 H new ATOM 0 HZ2 LYS A 106 -6.865 7.502 -13.606 1.00 61.52 H new ATOM 0 HZ3 LYS A 106 -7.205 8.158 -12.077 1.00 61.52 H new ATOM 1650 N LYS A 107 -8.365 4.211 -8.267 1.00 33.32 N ATOM 1651 CA LYS A 107 -8.443 2.776 -8.031 1.00 71.34 C ATOM 1652 C LYS A 107 -7.313 2.083 -8.786 1.00 61.04 C ATOM 1653 O LYS A 107 -6.951 2.489 -9.896 1.00 70.32 O ATOM 1654 CB LYS A 107 -9.813 2.224 -8.464 1.00 2.33 C ATOM 1655 CG LYS A 107 -10.098 0.800 -7.981 1.00 13.53 C ATOM 1656 CD LYS A 107 -10.007 0.690 -6.456 1.00 4.15 C ATOM 1657 CE LYS A 107 -10.444 -0.683 -5.947 1.00 60.13 C ATOM 1658 NZ LYS A 107 -11.905 -0.911 -6.131 1.00 51.44 N ATOM 0 H LYS A 107 -9.185 4.603 -8.729 1.00 33.32 H new ATOM 0 HA LYS A 107 -8.334 2.580 -6.964 1.00 71.34 H new ATOM 0 HB2 LYS A 107 -10.594 2.886 -8.089 1.00 2.33 H new ATOM 0 HB3 LYS A 107 -9.873 2.245 -9.552 1.00 2.33 H new ATOM 0 HG2 LYS A 107 -11.092 0.497 -8.309 1.00 13.53 H new ATOM 0 HG3 LYS A 107 -9.388 0.112 -8.439 1.00 13.53 H new ATOM 0 HD2 LYS A 107 -8.982 0.883 -6.141 1.00 4.15 H new ATOM 0 HD3 LYS A 107 -10.630 1.459 -6.000 1.00 4.15 H new ATOM 0 HE2 LYS A 107 -9.888 -1.458 -6.474 1.00 60.13 H new ATOM 0 HE3 LYS A 107 -10.194 -0.774 -4.890 1.00 60.13 H new ATOM 0 HZ1 LYS A 107 -12.188 -1.774 -5.624 1.00 51.44 H new ATOM 0 HZ2 LYS A 107 -12.433 -0.099 -5.754 1.00 51.44 H new ATOM 0 HZ3 LYS A 107 -12.115 -1.020 -7.144 1.00 51.44 H new ATOM 1672 N LEU A 108 -6.777 1.037 -8.189 1.00 41.32 N ATOM 1673 CA LEU A 108 -5.496 0.486 -8.588 1.00 33.33 C ATOM 1674 C LEU A 108 -5.390 -0.961 -8.114 1.00 24.13 C ATOM 1675 O LEU A 108 -6.233 -1.427 -7.343 1.00 5.21 O ATOM 1676 CB LEU A 108 -4.340 1.357 -8.070 1.00 13.23 C ATOM 1677 CG LEU A 108 -2.997 1.172 -8.793 1.00 4.45 C ATOM 1678 CD1 LEU A 108 -3.169 1.361 -10.295 1.00 43.11 C ATOM 1679 CD2 LEU A 108 -1.958 2.141 -8.249 1.00 34.10 C ATOM 0 H LEU A 108 -7.218 0.544 -7.412 1.00 41.32 H new ATOM 0 HA LEU A 108 -5.423 0.488 -9.676 1.00 33.33 H new ATOM 0 HB2 LEU A 108 -4.634 2.404 -8.148 1.00 13.23 H new ATOM 0 HB3 LEU A 108 -4.195 1.145 -7.011 1.00 13.23 H new ATOM 0 HG LEU A 108 -2.647 0.156 -8.611 1.00 4.45 H new ATOM 0 HD11 LEU A 108 -2.208 1.226 -10.791 1.00 43.11 H new ATOM 0 HD12 LEU A 108 -3.879 0.627 -10.675 1.00 43.11 H new ATOM 0 HD13 LEU A 108 -3.543 2.365 -10.495 1.00 43.11 H new ATOM 0 HD21 LEU A 108 -1.014 1.994 -8.774 1.00 34.10 H new ATOM 0 HD22 LEU A 108 -2.301 3.165 -8.399 1.00 34.10 H new ATOM 0 HD23 LEU A 108 -1.813 1.959 -7.184 1.00 34.10 H new ATOM 1691 N SER A 109 -4.384 -1.674 -8.602 1.00 12.02 N ATOM 1692 CA SER A 109 -4.294 -3.121 -8.462 1.00 34.03 C ATOM 1693 C SER A 109 -4.027 -3.538 -7.012 1.00 64.32 C ATOM 1694 O SER A 109 -3.942 -2.703 -6.116 1.00 31.32 O ATOM 1695 CB SER A 109 -3.120 -3.590 -9.331 1.00 64.22 C ATOM 1696 OG SER A 109 -3.417 -3.513 -10.717 1.00 33.32 O ATOM 0 H SER A 109 -3.602 -1.261 -9.110 1.00 12.02 H new ATOM 0 HA SER A 109 -5.240 -3.569 -8.768 1.00 34.03 H new ATOM 0 HB2 SER A 109 -2.243 -2.980 -9.114 1.00 64.22 H new ATOM 0 HB3 SER A 109 -2.866 -4.618 -9.072 1.00 64.22 H new ATOM 0 HG SER A 109 -2.633 -3.179 -11.201 1.00 33.32 H new ATOM 1702 N GLN A 110 -3.936 -4.842 -6.783 1.00 61.30 N ATOM 1703 CA GLN A 110 -3.801 -5.380 -5.435 1.00 50.42 C ATOM 1704 C GLN A 110 -2.896 -6.608 -5.450 1.00 25.44 C ATOM 1705 O GLN A 110 -3.141 -7.555 -6.197 1.00 43.14 O ATOM 1706 CB GLN A 110 -5.187 -5.744 -4.877 1.00 3.35 C ATOM 1707 CG GLN A 110 -5.168 -6.247 -3.440 1.00 63.21 C ATOM 1708 CD GLN A 110 -6.549 -6.637 -2.942 1.00 14.24 C ATOM 1709 OE1 GLN A 110 -7.284 -5.816 -2.398 1.00 72.33 O ATOM 1710 NE2 GLN A 110 -6.907 -7.899 -3.120 1.00 3.33 N ATOM 0 H GLN A 110 -3.953 -5.550 -7.517 1.00 61.30 H new ATOM 0 HA GLN A 110 -3.351 -4.624 -4.792 1.00 50.42 H new ATOM 0 HB2 GLN A 110 -5.831 -4.867 -4.935 1.00 3.35 H new ATOM 0 HB3 GLN A 110 -5.633 -6.509 -5.512 1.00 3.35 H new ATOM 0 HG2 GLN A 110 -4.503 -7.108 -3.369 1.00 63.21 H new ATOM 0 HG3 GLN A 110 -4.757 -5.472 -2.793 1.00 63.21 H new ATOM 0 HE21 GLN A 110 -6.269 -8.551 -3.576 1.00 3.33 H new ATOM 0 HE22 GLN A 110 -7.821 -8.220 -2.801 1.00 3.33 H new ATOM 1719 N VAL A 111 -1.848 -6.581 -4.637 1.00 73.11 N ATOM 1720 CA VAL A 111 -0.917 -7.700 -4.538 1.00 25.34 C ATOM 1721 C VAL A 111 -1.256 -8.563 -3.325 1.00 52.31 C ATOM 1722 O VAL A 111 -1.069 -8.148 -2.179 1.00 62.44 O ATOM 1723 CB VAL A 111 0.552 -7.215 -4.437 1.00 70.14 C ATOM 1724 CG1 VAL A 111 1.516 -8.404 -4.396 1.00 52.02 C ATOM 1725 CG2 VAL A 111 0.891 -6.278 -5.595 1.00 50.54 C ATOM 0 H VAL A 111 -1.620 -5.792 -4.033 1.00 73.11 H new ATOM 0 HA VAL A 111 -1.017 -8.291 -5.448 1.00 25.34 H new ATOM 0 HB VAL A 111 0.664 -6.659 -3.506 1.00 70.14 H new ATOM 0 HG11 VAL A 111 2.541 -8.039 -4.325 1.00 52.02 H new ATOM 0 HG12 VAL A 111 1.291 -9.025 -3.529 1.00 52.02 H new ATOM 0 HG13 VAL A 111 1.403 -8.995 -5.305 1.00 52.02 H new ATOM 0 HG21 VAL A 111 1.926 -5.949 -5.506 1.00 50.54 H new ATOM 0 HG22 VAL A 111 0.758 -6.805 -6.540 1.00 50.54 H new ATOM 0 HG23 VAL A 111 0.231 -5.411 -5.567 1.00 50.54 H new ATOM 1735 N ILE A 112 -1.777 -9.753 -3.585 1.00 24.33 N ATOM 1736 CA ILE A 112 -2.132 -10.691 -2.526 1.00 63.22 C ATOM 1737 C ILE A 112 -0.918 -11.546 -2.169 1.00 2.31 C ATOM 1738 O ILE A 112 -0.567 -12.480 -2.896 1.00 72.31 O ATOM 1739 CB ILE A 112 -3.320 -11.619 -2.927 1.00 13.42 C ATOM 1740 CG1 ILE A 112 -4.588 -10.807 -3.278 1.00 45.13 C ATOM 1741 CG2 ILE A 112 -3.621 -12.614 -1.802 1.00 73.23 C ATOM 1742 CD1 ILE A 112 -4.524 -10.085 -4.611 1.00 74.15 C ATOM 0 H ILE A 112 -1.965 -10.095 -4.527 1.00 24.33 H new ATOM 0 HA ILE A 112 -2.450 -10.103 -1.665 1.00 63.22 H new ATOM 0 HB ILE A 112 -3.022 -12.169 -3.820 1.00 13.42 H new ATOM 0 HG12 ILE A 112 -5.445 -11.480 -3.285 1.00 45.13 H new ATOM 0 HG13 ILE A 112 -4.764 -10.074 -2.490 1.00 45.13 H new ATOM 0 HG21 ILE A 112 -4.452 -13.255 -2.096 1.00 73.23 H new ATOM 0 HG22 ILE A 112 -2.740 -13.227 -1.613 1.00 73.23 H new ATOM 0 HG23 ILE A 112 -3.886 -12.069 -0.896 1.00 73.23 H new ATOM 0 HD11 ILE A 112 -5.455 -9.542 -4.776 1.00 74.15 H new ATOM 0 HD12 ILE A 112 -3.690 -9.383 -4.605 1.00 74.15 H new ATOM 0 HD13 ILE A 112 -4.381 -10.811 -5.411 1.00 74.15 H new ATOM 1754 N GLY A 113 -0.268 -11.205 -1.065 1.00 5.42 N ATOM 1755 CA GLY A 113 0.888 -11.955 -0.613 1.00 22.02 C ATOM 1756 C GLY A 113 2.191 -11.201 -0.806 1.00 23.11 C ATOM 1757 O GLY A 113 2.202 -10.054 -1.265 1.00 31.30 O ATOM 0 H GLY A 113 -0.523 -10.417 -0.470 1.00 5.42 H new ATOM 0 HA2 GLY A 113 0.767 -12.198 0.443 1.00 22.02 H new ATOM 0 HA3 GLY A 113 0.937 -12.900 -1.154 1.00 22.02 H new ATOM 1761 N ALA A 114 3.291 -11.860 -0.474 1.00 42.21 N ATOM 1762 CA ALA A 114 4.617 -11.260 -0.526 1.00 31.42 C ATOM 1763 C ALA A 114 5.295 -11.529 -1.869 1.00 73.03 C ATOM 1764 O ALA A 114 6.158 -12.407 -1.979 1.00 22.41 O ATOM 1765 CB ALA A 114 5.468 -11.796 0.622 1.00 70.35 C ATOM 0 H ALA A 114 3.290 -12.830 -0.159 1.00 42.21 H new ATOM 0 HA ALA A 114 4.513 -10.180 -0.422 1.00 31.42 H new ATOM 0 HB1 ALA A 114 6.460 -11.346 0.581 1.00 70.35 H new ATOM 0 HB2 ALA A 114 4.995 -11.547 1.572 1.00 70.35 H new ATOM 0 HB3 ALA A 114 5.557 -12.879 0.534 1.00 70.35 H new ATOM 1771 N ASP A 115 4.882 -10.797 -2.899 1.00 71.02 N ATOM 1772 CA ASP A 115 5.534 -10.885 -4.205 1.00 15.42 C ATOM 1773 C ASP A 115 6.136 -9.532 -4.564 1.00 64.52 C ATOM 1774 O ASP A 115 5.523 -8.717 -5.266 1.00 35.25 O ATOM 1775 CB ASP A 115 4.564 -11.360 -5.296 1.00 73.21 C ATOM 1776 CG ASP A 115 5.296 -11.826 -6.547 1.00 25.22 C ATOM 1777 OD1 ASP A 115 5.857 -12.947 -6.529 1.00 51.04 O ATOM 1778 OD2 ASP A 115 5.336 -11.077 -7.543 1.00 42.03 O ATOM 0 H ASP A 115 4.104 -10.139 -2.857 1.00 71.02 H new ATOM 0 HA ASP A 115 6.329 -11.629 -4.143 1.00 15.42 H new ATOM 0 HB2 ASP A 115 3.954 -12.176 -4.908 1.00 73.21 H new ATOM 0 HB3 ASP A 115 3.884 -10.548 -5.555 1.00 73.21 H new ATOM 1783 N ILE A 116 7.340 -9.294 -4.046 1.00 3.41 N ATOM 1784 CA ILE A 116 8.016 -8.010 -4.187 1.00 1.12 C ATOM 1785 C ILE A 116 8.216 -7.677 -5.666 1.00 72.14 C ATOM 1786 O ILE A 116 8.200 -6.511 -6.056 1.00 13.22 O ATOM 1787 CB ILE A 116 9.378 -8.018 -3.419 1.00 12.52 C ATOM 1788 CG1 ILE A 116 9.735 -6.616 -2.873 1.00 23.51 C ATOM 1789 CG2 ILE A 116 10.513 -8.561 -4.291 1.00 2.52 C ATOM 1790 CD1 ILE A 116 10.149 -5.599 -3.915 1.00 40.02 C ATOM 0 H ILE A 116 7.872 -9.986 -3.518 1.00 3.41 H new ATOM 0 HA ILE A 116 7.391 -7.234 -3.746 1.00 1.12 H new ATOM 0 HB ILE A 116 9.256 -8.688 -2.568 1.00 12.52 H new ATOM 0 HG12 ILE A 116 8.874 -6.226 -2.331 1.00 23.51 H new ATOM 0 HG13 ILE A 116 10.545 -6.721 -2.151 1.00 23.51 H new ATOM 0 HG21 ILE A 116 11.444 -8.552 -3.724 1.00 2.52 H new ATOM 0 HG22 ILE A 116 10.283 -9.583 -4.593 1.00 2.52 H new ATOM 0 HG23 ILE A 116 10.622 -7.936 -5.177 1.00 2.52 H new ATOM 0 HD11 ILE A 116 10.378 -4.651 -3.428 1.00 40.02 H new ATOM 0 HD12 ILE A 116 11.033 -5.958 -4.443 1.00 40.02 H new ATOM 0 HD13 ILE A 116 9.335 -5.455 -4.626 1.00 40.02 H new ATOM 1802 N SER A 117 8.370 -8.715 -6.485 1.00 12.22 N ATOM 1803 CA SER A 117 8.522 -8.545 -7.922 1.00 42.04 C ATOM 1804 C SER A 117 7.308 -7.814 -8.507 1.00 11.14 C ATOM 1805 O SER A 117 7.453 -6.788 -9.178 1.00 63.01 O ATOM 1806 CB SER A 117 8.702 -9.910 -8.596 1.00 14.24 C ATOM 1807 OG SER A 117 9.804 -10.615 -8.042 1.00 12.31 O ATOM 0 H SER A 117 8.392 -9.686 -6.173 1.00 12.22 H new ATOM 0 HA SER A 117 9.409 -7.941 -8.112 1.00 42.04 H new ATOM 0 HB2 SER A 117 7.793 -10.500 -8.478 1.00 14.24 H new ATOM 0 HB3 SER A 117 8.856 -9.773 -9.666 1.00 14.24 H new ATOM 0 HG SER A 117 9.895 -11.483 -8.489 1.00 12.31 H new ATOM 1813 N LYS A 118 6.109 -8.332 -8.227 1.00 64.45 N ATOM 1814 CA LYS A 118 4.881 -7.722 -8.730 1.00 54.12 C ATOM 1815 C LYS A 118 4.686 -6.342 -8.118 1.00 74.13 C ATOM 1816 O LYS A 118 4.294 -5.401 -8.806 1.00 22.10 O ATOM 1817 CB LYS A 118 3.659 -8.607 -8.428 1.00 73.51 C ATOM 1818 CG LYS A 118 2.350 -8.070 -9.007 1.00 1.41 C ATOM 1819 CD LYS A 118 2.420 -7.940 -10.528 1.00 41.52 C ATOM 1820 CE LYS A 118 1.117 -7.414 -11.119 1.00 3.04 C ATOM 1821 NZ LYS A 118 1.180 -7.326 -12.600 1.00 1.51 N ATOM 0 H LYS A 118 5.965 -9.167 -7.658 1.00 64.45 H new ATOM 0 HA LYS A 118 4.974 -7.623 -9.811 1.00 54.12 H new ATOM 0 HB2 LYS A 118 3.838 -9.606 -8.825 1.00 73.51 H new ATOM 0 HB3 LYS A 118 3.553 -8.708 -7.348 1.00 73.51 H new ATOM 0 HG2 LYS A 118 1.531 -8.736 -8.735 1.00 1.41 H new ATOM 0 HG3 LYS A 118 2.129 -7.097 -8.568 1.00 1.41 H new ATOM 0 HD2 LYS A 118 3.236 -7.270 -10.797 1.00 41.52 H new ATOM 0 HD3 LYS A 118 2.649 -8.912 -10.964 1.00 41.52 H new ATOM 0 HE2 LYS A 118 0.295 -8.069 -10.828 1.00 3.04 H new ATOM 0 HE3 LYS A 118 0.901 -6.429 -10.705 1.00 3.04 H new ATOM 0 HZ1 LYS A 118 0.276 -6.964 -12.965 1.00 1.51 H new ATOM 0 HZ2 LYS A 118 1.948 -6.682 -12.877 1.00 1.51 H new ATOM 0 HZ3 LYS A 118 1.361 -8.270 -12.997 1.00 1.51 H new ATOM 1835 N ILE A 119 4.970 -6.227 -6.821 1.00 21.21 N ATOM 1836 CA ILE A 119 4.826 -4.955 -6.117 1.00 24.45 C ATOM 1837 C ILE A 119 5.640 -3.857 -6.806 1.00 21.33 C ATOM 1838 O ILE A 119 5.092 -2.830 -7.217 1.00 30.23 O ATOM 1839 CB ILE A 119 5.267 -5.073 -4.632 1.00 14.01 C ATOM 1840 CG1 ILE A 119 4.372 -6.079 -3.889 1.00 15.05 C ATOM 1841 CG2 ILE A 119 5.239 -3.708 -3.939 1.00 63.33 C ATOM 1842 CD1 ILE A 119 4.761 -6.303 -2.438 1.00 43.51 C ATOM 0 H ILE A 119 5.300 -6.997 -6.239 1.00 21.21 H new ATOM 0 HA ILE A 119 3.769 -4.690 -6.145 1.00 24.45 H new ATOM 0 HB ILE A 119 6.294 -5.437 -4.609 1.00 14.01 H new ATOM 0 HG12 ILE A 119 3.341 -5.728 -3.927 1.00 15.05 H new ATOM 0 HG13 ILE A 119 4.404 -7.034 -4.414 1.00 15.05 H new ATOM 0 HG21 ILE A 119 5.552 -3.820 -2.901 1.00 63.33 H new ATOM 0 HG22 ILE A 119 5.918 -3.026 -4.451 1.00 63.33 H new ATOM 0 HG23 ILE A 119 4.227 -3.304 -3.971 1.00 63.33 H new ATOM 0 HD11 ILE A 119 4.081 -7.025 -1.986 1.00 43.51 H new ATOM 0 HD12 ILE A 119 5.781 -6.685 -2.389 1.00 43.51 H new ATOM 0 HD13 ILE A 119 4.701 -5.360 -1.895 1.00 43.51 H new ATOM 1854 N ILE A 120 6.942 -4.093 -6.962 1.00 75.53 N ATOM 1855 CA ILE A 120 7.833 -3.102 -7.555 1.00 62.13 C ATOM 1856 C ILE A 120 7.490 -2.891 -9.029 1.00 24.51 C ATOM 1857 O ILE A 120 7.592 -1.773 -9.550 1.00 55.02 O ATOM 1858 CB ILE A 120 9.328 -3.499 -7.407 1.00 65.35 C ATOM 1859 CG1 ILE A 120 10.237 -2.331 -7.828 1.00 50.52 C ATOM 1860 CG2 ILE A 120 9.653 -4.750 -8.220 1.00 61.24 C ATOM 1861 CD1 ILE A 120 11.714 -2.600 -7.637 1.00 2.11 C ATOM 0 H ILE A 120 7.401 -4.961 -6.686 1.00 75.53 H new ATOM 0 HA ILE A 120 7.684 -2.168 -7.013 1.00 62.13 H new ATOM 0 HB ILE A 120 9.513 -3.726 -6.357 1.00 65.35 H new ATOM 0 HG12 ILE A 120 10.053 -2.101 -8.877 1.00 50.52 H new ATOM 0 HG13 ILE A 120 9.962 -1.446 -7.255 1.00 50.52 H new ATOM 0 HG21 ILE A 120 10.706 -5.002 -8.095 1.00 61.24 H new ATOM 0 HG22 ILE A 120 9.038 -5.580 -7.872 1.00 61.24 H new ATOM 0 HG23 ILE A 120 9.447 -4.563 -9.274 1.00 61.24 H new ATOM 0 HD11 ILE A 120 12.287 -1.729 -7.957 1.00 2.11 H new ATOM 0 HD12 ILE A 120 11.914 -2.800 -6.584 1.00 2.11 H new ATOM 0 HD13 ILE A 120 12.006 -3.465 -8.232 1.00 2.11 H new ATOM 1873 N SER A 121 7.063 -3.967 -9.691 1.00 13.25 N ATOM 1874 CA SER A 121 6.661 -3.900 -11.086 1.00 22.42 C ATOM 1875 C SER A 121 5.518 -2.899 -11.246 1.00 65.25 C ATOM 1876 O SER A 121 5.604 -1.974 -12.053 1.00 50.31 O ATOM 1877 CB SER A 121 6.240 -5.288 -11.592 1.00 73.21 C ATOM 1878 OG SER A 121 5.973 -5.274 -12.985 1.00 21.33 O ATOM 0 H SER A 121 6.988 -4.896 -9.277 1.00 13.25 H new ATOM 0 HA SER A 121 7.509 -3.565 -11.684 1.00 22.42 H new ATOM 0 HB2 SER A 121 7.029 -6.009 -11.379 1.00 73.21 H new ATOM 0 HB3 SER A 121 5.352 -5.619 -11.053 1.00 73.21 H new ATOM 0 HG SER A 121 5.709 -6.172 -13.277 1.00 21.33 H new ATOM 1884 N GLU A 122 4.469 -3.065 -10.440 1.00 65.44 N ATOM 1885 CA GLU A 122 3.324 -2.160 -10.470 1.00 62.02 C ATOM 1886 C GLU A 122 3.736 -0.739 -10.091 1.00 62.50 C ATOM 1887 O GLU A 122 3.268 0.223 -10.700 1.00 4.21 O ATOM 1888 CB GLU A 122 2.201 -2.657 -9.550 1.00 45.02 C ATOM 1889 CG GLU A 122 1.282 -3.688 -10.197 1.00 34.40 C ATOM 1890 CD GLU A 122 0.554 -3.133 -11.415 1.00 64.12 C ATOM 1891 OE1 GLU A 122 -0.409 -2.352 -11.240 1.00 72.01 O ATOM 1892 OE2 GLU A 122 0.946 -3.465 -12.556 1.00 31.34 O ATOM 0 H GLU A 122 4.390 -3.819 -9.758 1.00 65.44 H new ATOM 0 HA GLU A 122 2.945 -2.144 -11.492 1.00 62.02 H new ATOM 0 HB2 GLU A 122 2.644 -3.092 -8.654 1.00 45.02 H new ATOM 0 HB3 GLU A 122 1.604 -1.804 -9.228 1.00 45.02 H new ATOM 0 HG2 GLU A 122 1.868 -4.558 -10.493 1.00 34.40 H new ATOM 0 HG3 GLU A 122 0.551 -4.030 -9.464 1.00 34.40 H new ATOM 1899 N ILE A 123 4.610 -0.605 -9.097 1.00 11.52 N ATOM 1900 CA ILE A 123 5.110 0.713 -8.702 1.00 62.30 C ATOM 1901 C ILE A 123 5.664 1.460 -9.919 1.00 75.13 C ATOM 1902 O ILE A 123 5.202 2.552 -10.252 1.00 53.01 O ATOM 1903 CB ILE A 123 6.207 0.611 -7.607 1.00 32.03 C ATOM 1904 CG1 ILE A 123 5.604 0.097 -6.288 1.00 2.14 C ATOM 1905 CG2 ILE A 123 6.896 1.960 -7.394 1.00 44.24 C ATOM 1906 CD1 ILE A 123 6.615 -0.054 -5.168 1.00 50.03 C ATOM 0 H ILE A 123 4.985 -1.383 -8.554 1.00 11.52 H new ATOM 0 HA ILE A 123 4.269 1.267 -8.286 1.00 62.30 H new ATOM 0 HB ILE A 123 6.959 -0.102 -7.946 1.00 32.03 H new ATOM 0 HG12 ILE A 123 4.820 0.783 -5.967 1.00 2.14 H new ATOM 0 HG13 ILE A 123 5.129 -0.868 -6.468 1.00 2.14 H new ATOM 0 HG21 ILE A 123 7.659 1.861 -6.622 1.00 44.24 H new ATOM 0 HG22 ILE A 123 7.361 2.282 -8.326 1.00 44.24 H new ATOM 0 HG23 ILE A 123 6.159 2.700 -7.082 1.00 44.24 H new ATOM 0 HD11 ILE A 123 6.114 -0.420 -4.272 1.00 50.03 H new ATOM 0 HD12 ILE A 123 7.387 -0.763 -5.468 1.00 50.03 H new ATOM 0 HD13 ILE A 123 7.073 0.913 -4.958 1.00 50.03 H new ATOM 1918 N ASN A 124 6.612 0.840 -10.612 1.00 14.20 N ATOM 1919 CA ASN A 124 7.226 1.457 -11.791 1.00 64.33 C ATOM 1920 C ASN A 124 6.226 1.542 -12.940 1.00 32.30 C ATOM 1921 O ASN A 124 6.291 2.458 -13.763 1.00 62.32 O ATOM 1922 CB ASN A 124 8.474 0.677 -12.231 1.00 41.13 C ATOM 1923 CG ASN A 124 9.625 0.804 -11.242 1.00 62.10 C ATOM 1924 OD1 ASN A 124 10.427 1.732 -11.327 1.00 73.14 O ATOM 1925 ND2 ASN A 124 9.719 -0.127 -10.304 1.00 75.30 N ATOM 0 H ASN A 124 6.974 -0.086 -10.383 1.00 14.20 H new ATOM 0 HA ASN A 124 7.529 2.468 -11.519 1.00 64.33 H new ATOM 0 HB2 ASN A 124 8.217 -0.376 -12.350 1.00 41.13 H new ATOM 0 HB3 ASN A 124 8.798 1.038 -13.207 1.00 41.13 H new ATOM 0 HD21 ASN A 124 10.476 -0.088 -9.621 1.00 75.30 H new ATOM 0 HD22 ASN A 124 9.035 -0.882 -10.265 1.00 75.30 H new ATOM 1932 N ASN A 125 5.294 0.595 -12.975 1.00 51.10 N ATOM 1933 CA ASN A 125 4.283 0.532 -14.031 1.00 32.34 C ATOM 1934 C ASN A 125 3.301 1.701 -13.933 1.00 63.33 C ATOM 1935 O ASN A 125 2.816 2.198 -14.945 1.00 14.31 O ATOM 1936 CB ASN A 125 3.512 -0.796 -13.952 1.00 20.41 C ATOM 1937 CG ASN A 125 2.450 -0.939 -15.032 1.00 22.44 C ATOM 1938 OD1 ASN A 125 2.606 -0.450 -16.153 1.00 51.12 O ATOM 1939 ND2 ASN A 125 1.359 -1.614 -14.704 1.00 2.52 N ATOM 0 H ASN A 125 5.216 -0.146 -12.279 1.00 51.10 H new ATOM 0 HA ASN A 125 4.800 0.597 -14.988 1.00 32.34 H new ATOM 0 HB2 ASN A 125 4.217 -1.623 -14.033 1.00 20.41 H new ATOM 0 HB3 ASN A 125 3.039 -0.876 -12.973 1.00 20.41 H new ATOM 0 HD21 ASN A 125 0.614 -1.743 -15.389 1.00 2.52 H new ATOM 0 HD22 ASN A 125 1.264 -2.005 -13.767 1.00 2.52 H new ATOM 1946 N ASN A 126 3.009 2.139 -12.710 1.00 62.24 N ATOM 1947 CA ASN A 126 2.014 3.193 -12.498 1.00 35.43 C ATOM 1948 C ASN A 126 2.660 4.566 -12.316 1.00 60.21 C ATOM 1949 O ASN A 126 2.015 5.591 -12.553 1.00 1.12 O ATOM 1950 CB ASN A 126 1.110 2.859 -11.301 1.00 22.23 C ATOM 1951 CG ASN A 126 0.218 1.655 -11.569 1.00 44.43 C ATOM 1952 OD1 ASN A 126 -0.828 1.778 -12.201 1.00 23.51 O ATOM 1953 ND2 ASN A 126 0.614 0.491 -11.078 1.00 4.24 N ATOM 0 H ASN A 126 3.442 1.786 -11.857 1.00 62.24 H new ATOM 0 HA ASN A 126 1.400 3.239 -13.398 1.00 35.43 H new ATOM 0 HB2 ASN A 126 1.728 2.662 -10.425 1.00 22.23 H new ATOM 0 HB3 ASN A 126 0.489 3.723 -11.065 1.00 22.23 H new ATOM 0 HD21 ASN A 126 0.044 -0.343 -11.220 1.00 4.24 H new ATOM 0 HD22 ASN A 126 1.489 0.428 -10.558 1.00 4.24 H new ATOM 1960 N ILE A 127 3.921 4.596 -11.881 1.00 35.31 N ATOM 1961 CA ILE A 127 4.657 5.857 -11.784 1.00 72.22 C ATOM 1962 C ILE A 127 5.001 6.374 -13.179 1.00 32.40 C ATOM 1963 O ILE A 127 4.596 7.473 -13.566 1.00 62.35 O ATOM 1964 CB ILE A 127 5.964 5.715 -10.956 1.00 14.51 C ATOM 1965 CG1 ILE A 127 5.642 5.427 -9.481 1.00 5.44 C ATOM 1966 CG2 ILE A 127 6.830 6.972 -11.080 1.00 64.23 C ATOM 1967 CD1 ILE A 127 6.870 5.273 -8.608 1.00 21.31 C ATOM 0 H ILE A 127 4.449 3.772 -11.593 1.00 35.31 H new ATOM 0 HA ILE A 127 4.008 6.565 -11.269 1.00 72.22 H new ATOM 0 HB ILE A 127 6.528 4.873 -11.358 1.00 14.51 H new ATOM 0 HG12 ILE A 127 5.027 6.237 -9.088 1.00 5.44 H new ATOM 0 HG13 ILE A 127 5.047 4.516 -9.420 1.00 5.44 H new ATOM 0 HG21 ILE A 127 7.739 6.847 -10.491 1.00 64.23 H new ATOM 0 HG22 ILE A 127 7.094 7.130 -12.126 1.00 64.23 H new ATOM 0 HG23 ILE A 127 6.274 7.834 -10.711 1.00 64.23 H new ATOM 0 HD11 ILE A 127 6.564 5.072 -7.581 1.00 21.31 H new ATOM 0 HD12 ILE A 127 7.476 4.445 -8.975 1.00 21.31 H new ATOM 0 HD13 ILE A 127 7.456 6.192 -8.638 1.00 21.31 H new ATOM 1979 N ASN A 128 5.747 5.564 -13.928 1.00 14.22 N ATOM 1980 CA ASN A 128 6.197 5.943 -15.266 1.00 41.54 C ATOM 1981 C ASN A 128 5.026 5.927 -16.247 1.00 32.22 C ATOM 1982 O ASN A 128 4.565 7.015 -16.652 1.00 43.53 O ATOM 1983 CB ASN A 128 7.313 5.004 -15.748 1.00 13.21 C ATOM 1984 CG ASN A 128 8.554 5.077 -14.876 1.00 71.03 C ATOM 1985 OD1 ASN A 128 9.460 5.874 -15.125 1.00 23.00 O ATOM 1986 ND2 ASN A 128 8.602 4.249 -13.841 1.00 2.12 N ATOM 1987 OXT ASN A 128 4.551 4.828 -16.591 1.00 0.00 O ATOM 0 H ASN A 128 6.053 4.638 -13.630 1.00 14.22 H new ATOM 0 HA ASN A 128 6.597 6.956 -15.219 1.00 41.54 H new ATOM 0 HB2 ASN A 128 6.941 3.979 -15.759 1.00 13.21 H new ATOM 0 HB3 ASN A 128 7.579 5.258 -16.774 1.00 13.21 H new ATOM 0 HD21 ASN A 128 9.409 4.258 -13.218 1.00 2.12 H new ATOM 0 HD22 ASN A 128 7.831 3.603 -13.668 1.00 2.12 H new TER 1994 ASN A 128