USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 937 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.33) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 85:sc= 0.272 USER MOD Single : A 12 THR OG1 : rot -35:sc= 0.91 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 145:sc= -0.286 (180deg=-1.47!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 23 SER OG : rot -51:sc= 0.836 USER MOD Single : A 25 LYS NZ :NH3+ -143:sc= -0.167 (180deg=-0.488) USER MOD Single : A 38 THR OG1 : rot -27:sc= 1.06 USER MOD Single : A 41 ASN : amide:sc= 0.151 X(o=0.15,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.626 K(o=-0.63,f=-3.1!) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.4) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0164 USER MOD Single : A 88 THR OG1 : rot -150:sc= -0.498 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.0114 X(o=-0.011,f=-0.31) USER MOD Single : A 98 THR OG1 : rot 7:sc= 0.748! USER MOD Single : A 103 SER OG : rot -21:sc= -0.616 USER MOD Single : A 104 ASN : amide:sc=-0.00639 X(o=-0.0064,f=-0.16) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 91:sc= 0.373 USER MOD Single : A 117 LYS NZ :NH3+ -169:sc= -1.26 (180deg=-1.44) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 110.513 13.283 -36.017 1.00 0.00 N ATOM 2 CA GLY A 1 110.020 11.878 -36.018 1.00 0.00 C ATOM 3 C GLY A 1 111.003 10.918 -35.379 1.00 0.00 C ATOM 4 O GLY A 1 110.875 10.578 -34.203 1.00 0.00 O ATOM 0 H1 GLY A 1 109.805 13.900 -36.465 1.00 0.00 H new ATOM 0 H2 GLY A 1 110.673 13.594 -35.038 1.00 0.00 H new ATOM 0 H3 GLY A 1 111.405 13.338 -36.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 109.071 11.829 -35.485 1.00 0.00 H new ATOM 0 HA3 GLY A 1 109.826 11.565 -37.044 1.00 0.00 H new ATOM 10 N HIS A 2 111.989 10.479 -36.156 1.00 0.00 N ATOM 11 CA HIS A 2 112.998 9.551 -35.658 1.00 0.00 C ATOM 12 C HIS A 2 114.403 10.083 -35.922 1.00 0.00 C ATOM 13 O HIS A 2 114.964 9.876 -36.998 1.00 0.00 O ATOM 14 CB HIS A 2 112.828 8.180 -36.315 1.00 0.00 C ATOM 15 CG HIS A 2 111.879 7.281 -35.585 1.00 0.00 C ATOM 16 ND1 HIS A 2 111.792 7.235 -34.210 1.00 0.00 N ATOM 17 CD2 HIS A 2 110.970 6.389 -36.048 1.00 0.00 C ATOM 18 CE1 HIS A 2 110.872 6.354 -33.858 1.00 0.00 C ATOM 19 NE2 HIS A 2 110.359 5.827 -34.954 1.00 0.00 N ATOM 0 H HIS A 2 112.110 10.751 -37.132 1.00 0.00 H new ATOM 0 HA HIS A 2 112.863 9.450 -34.581 1.00 0.00 H new ATOM 0 HB2 HIS A 2 112.473 8.317 -37.336 1.00 0.00 H new ATOM 0 HB3 HIS A 2 113.801 7.693 -36.378 1.00 0.00 H new ATOM 0 HD2 HIS A 2 110.764 6.162 -37.084 1.00 0.00 H new ATOM 0 HE1 HIS A 2 110.588 6.107 -32.846 1.00 0.00 H new ATOM 0 HE2 HIS A 2 109.627 5.117 -34.984 1.00 0.00 H new ATOM 27 N MET A 3 114.967 10.768 -34.933 1.00 0.00 N ATOM 28 CA MET A 3 116.307 11.329 -35.059 1.00 0.00 C ATOM 29 C MET A 3 117.364 10.311 -34.646 1.00 0.00 C ATOM 30 O MET A 3 118.098 9.788 -35.485 1.00 0.00 O ATOM 31 CB MET A 3 116.437 12.592 -34.205 1.00 0.00 C ATOM 32 CG MET A 3 115.637 13.771 -34.737 1.00 0.00 C ATOM 33 SD MET A 3 116.567 15.316 -34.705 1.00 0.00 S ATOM 34 CE MET A 3 117.500 15.182 -36.227 1.00 0.00 C ATOM 0 H MET A 3 114.517 10.948 -34.035 1.00 0.00 H new ATOM 0 HA MET A 3 116.468 11.589 -36.105 1.00 0.00 H new ATOM 0 HB2 MET A 3 116.109 12.369 -33.190 1.00 0.00 H new ATOM 0 HB3 MET A 3 117.488 12.874 -34.146 1.00 0.00 H new ATOM 0 HG2 MET A 3 115.325 13.561 -35.760 1.00 0.00 H new ATOM 0 HG3 MET A 3 114.729 13.886 -34.144 1.00 0.00 H new ATOM 0 HE1 MET A 3 118.126 16.066 -36.349 1.00 0.00 H new ATOM 0 HE2 MET A 3 118.130 14.293 -36.190 1.00 0.00 H new ATOM 0 HE3 MET A 3 116.813 15.105 -37.069 1.00 0.00 H new ATOM 44 N GLY A 4 117.437 10.034 -33.348 1.00 0.00 N ATOM 45 CA GLY A 4 118.408 9.079 -32.847 1.00 0.00 C ATOM 46 C GLY A 4 118.280 8.851 -31.353 1.00 0.00 C ATOM 47 O GLY A 4 118.258 9.803 -30.573 1.00 0.00 O ATOM 0 H GLY A 4 116.841 10.454 -32.634 1.00 0.00 H new ATOM 0 HA2 GLY A 4 118.282 8.130 -33.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 119.413 9.435 -33.072 1.00 0.00 H new ATOM 51 N LEU A 5 118.197 7.586 -30.954 1.00 0.00 N ATOM 52 CA LEU A 5 118.072 7.236 -29.544 1.00 0.00 C ATOM 53 C LEU A 5 118.687 5.867 -29.267 1.00 0.00 C ATOM 54 O LEU A 5 117.975 4.873 -29.121 1.00 0.00 O ATOM 55 CB LEU A 5 116.601 7.243 -29.124 1.00 0.00 C ATOM 56 CG LEU A 5 116.053 8.611 -28.710 1.00 0.00 C ATOM 57 CD1 LEU A 5 115.384 9.297 -29.891 1.00 0.00 C ATOM 58 CD2 LEU A 5 115.077 8.466 -27.552 1.00 0.00 C ATOM 0 H LEU A 5 118.214 6.786 -31.587 1.00 0.00 H new ATOM 0 HA LEU A 5 118.612 7.981 -28.960 1.00 0.00 H new ATOM 0 HB2 LEU A 5 116.001 6.863 -29.951 1.00 0.00 H new ATOM 0 HB3 LEU A 5 116.473 6.550 -28.292 1.00 0.00 H new ATOM 0 HG LEU A 5 116.887 9.231 -28.381 1.00 0.00 H new ATOM 0 HD11 LEU A 5 115.000 10.268 -29.578 1.00 0.00 H new ATOM 0 HD12 LEU A 5 116.111 9.435 -30.691 1.00 0.00 H new ATOM 0 HD13 LEU A 5 114.560 8.680 -30.251 1.00 0.00 H new ATOM 0 HD21 LEU A 5 114.697 9.448 -27.271 1.00 0.00 H new ATOM 0 HD22 LEU A 5 114.246 7.829 -27.854 1.00 0.00 H new ATOM 0 HD23 LEU A 5 115.587 8.017 -26.700 1.00 0.00 H new ATOM 70 N GLU A 6 120.013 5.824 -29.195 1.00 0.00 N ATOM 71 CA GLU A 6 120.726 4.578 -28.935 1.00 0.00 C ATOM 72 C GLU A 6 120.365 4.017 -27.560 1.00 0.00 C ATOM 73 O GLU A 6 119.983 2.853 -27.439 1.00 0.00 O ATOM 74 CB GLU A 6 122.237 4.803 -29.030 1.00 0.00 C ATOM 75 CG GLU A 6 122.869 4.178 -30.264 1.00 0.00 C ATOM 76 CD GLU A 6 123.273 2.732 -30.046 1.00 0.00 C ATOM 77 OE1 GLU A 6 123.021 2.203 -28.943 1.00 0.00 O ATOM 78 OE2 GLU A 6 123.843 2.129 -30.980 1.00 0.00 O ATOM 0 H GLU A 6 120.616 6.638 -29.313 1.00 0.00 H new ATOM 0 HA GLU A 6 120.426 3.852 -29.690 1.00 0.00 H new ATOM 0 HB2 GLU A 6 122.437 5.875 -29.033 1.00 0.00 H new ATOM 0 HB3 GLU A 6 122.714 4.392 -28.140 1.00 0.00 H new ATOM 0 HG2 GLU A 6 122.166 4.233 -31.095 1.00 0.00 H new ATOM 0 HG3 GLU A 6 123.747 4.757 -30.550 1.00 0.00 H new ATOM 85 N PRO A 7 120.483 4.842 -26.504 1.00 0.00 N ATOM 86 CA PRO A 7 120.170 4.423 -25.134 1.00 0.00 C ATOM 87 C PRO A 7 118.824 3.713 -25.029 1.00 0.00 C ATOM 88 O PRO A 7 118.607 2.906 -24.126 1.00 0.00 O ATOM 89 CB PRO A 7 120.139 5.743 -24.363 1.00 0.00 C ATOM 90 CG PRO A 7 121.060 6.638 -25.116 1.00 0.00 C ATOM 91 CD PRO A 7 120.930 6.248 -26.564 1.00 0.00 C ATOM 0 HA PRO A 7 120.895 3.704 -24.754 1.00 0.00 H new ATOM 0 HB2 PRO A 7 119.131 6.155 -24.322 1.00 0.00 H new ATOM 0 HB3 PRO A 7 120.470 5.609 -23.333 1.00 0.00 H new ATOM 0 HG2 PRO A 7 120.793 7.685 -24.969 1.00 0.00 H new ATOM 0 HG3 PRO A 7 122.087 6.519 -24.771 1.00 0.00 H new ATOM 0 HD2 PRO A 7 120.208 6.877 -27.086 1.00 0.00 H new ATOM 0 HD3 PRO A 7 121.878 6.345 -27.093 1.00 0.00 H new ATOM 99 N TYR A 8 117.922 4.016 -25.958 1.00 0.00 N ATOM 100 CA TYR A 8 116.596 3.404 -25.966 1.00 0.00 C ATOM 101 C TYR A 8 116.691 1.880 -25.937 1.00 0.00 C ATOM 102 O TYR A 8 115.774 1.201 -25.474 1.00 0.00 O ATOM 103 CB TYR A 8 115.813 3.851 -27.202 1.00 0.00 C ATOM 104 CG TYR A 8 114.332 3.560 -27.118 1.00 0.00 C ATOM 105 CD1 TYR A 8 113.528 4.208 -26.188 1.00 0.00 C ATOM 106 CD2 TYR A 8 113.737 2.637 -27.970 1.00 0.00 C ATOM 107 CE1 TYR A 8 112.174 3.944 -26.109 1.00 0.00 C ATOM 108 CE2 TYR A 8 112.383 2.369 -27.897 1.00 0.00 C ATOM 109 CZ TYR A 8 111.607 3.024 -26.965 1.00 0.00 C ATOM 110 OH TYR A 8 110.258 2.759 -26.889 1.00 0.00 O ATOM 0 H TYR A 8 118.084 4.681 -26.714 1.00 0.00 H new ATOM 0 HA TYR A 8 116.071 3.732 -25.069 1.00 0.00 H new ATOM 0 HB2 TYR A 8 115.957 4.922 -27.345 1.00 0.00 H new ATOM 0 HB3 TYR A 8 116.223 3.354 -28.081 1.00 0.00 H new ATOM 0 HD1 TYR A 8 113.969 4.930 -25.516 1.00 0.00 H new ATOM 0 HD2 TYR A 8 114.342 2.121 -28.701 1.00 0.00 H new ATOM 0 HE1 TYR A 8 111.563 4.456 -25.380 1.00 0.00 H new ATOM 0 HE2 TYR A 8 111.935 1.650 -28.567 1.00 0.00 H new ATOM 0 HH TYR A 8 110.018 2.088 -27.562 1.00 0.00 H new ATOM 120 N GLU A 9 117.803 1.348 -26.435 1.00 0.00 N ATOM 121 CA GLU A 9 118.012 -0.095 -26.465 1.00 0.00 C ATOM 122 C GLU A 9 118.472 -0.608 -25.104 1.00 0.00 C ATOM 123 O GLU A 9 117.782 -1.400 -24.462 1.00 0.00 O ATOM 124 CB GLU A 9 119.043 -0.459 -27.535 1.00 0.00 C ATOM 125 CG GLU A 9 118.716 0.101 -28.910 1.00 0.00 C ATOM 126 CD GLU A 9 119.951 0.548 -29.666 1.00 0.00 C ATOM 127 OE1 GLU A 9 121.044 0.012 -29.387 1.00 0.00 O ATOM 128 OE2 GLU A 9 119.826 1.433 -30.538 1.00 0.00 O ATOM 0 H GLU A 9 118.572 1.894 -26.823 1.00 0.00 H new ATOM 0 HA GLU A 9 117.061 -0.569 -26.709 1.00 0.00 H new ATOM 0 HB2 GLU A 9 120.021 -0.091 -27.225 1.00 0.00 H new ATOM 0 HB3 GLU A 9 119.117 -1.544 -27.602 1.00 0.00 H new ATOM 0 HG2 GLU A 9 118.193 -0.658 -29.492 1.00 0.00 H new ATOM 0 HG3 GLU A 9 118.035 0.945 -28.802 1.00 0.00 H new ATOM 135 N ILE A 10 119.643 -0.153 -24.671 1.00 0.00 N ATOM 136 CA ILE A 10 120.197 -0.567 -23.387 1.00 0.00 C ATOM 137 C ILE A 10 119.303 -0.124 -22.232 1.00 0.00 C ATOM 138 O ILE A 10 119.251 -0.777 -21.189 1.00 0.00 O ATOM 139 CB ILE A 10 121.616 0.002 -23.180 1.00 0.00 C ATOM 140 CG1 ILE A 10 122.214 -0.514 -21.869 1.00 0.00 C ATOM 141 CG2 ILE A 10 121.587 1.524 -23.192 1.00 0.00 C ATOM 142 CD1 ILE A 10 122.333 -2.021 -21.812 1.00 0.00 C ATOM 0 H ILE A 10 120.227 0.503 -25.190 1.00 0.00 H new ATOM 0 HA ILE A 10 120.250 -1.656 -23.399 1.00 0.00 H new ATOM 0 HB ILE A 10 122.247 -0.336 -24.002 1.00 0.00 H new ATOM 0 HG12 ILE A 10 123.202 -0.074 -21.731 1.00 0.00 H new ATOM 0 HG13 ILE A 10 121.595 -0.175 -21.038 1.00 0.00 H new ATOM 0 HG21 ILE A 10 122.596 1.908 -23.045 1.00 0.00 H new ATOM 0 HG22 ILE A 10 121.202 1.873 -24.150 1.00 0.00 H new ATOM 0 HG23 ILE A 10 120.942 1.882 -22.390 1.00 0.00 H new ATOM 0 HD11 ILE A 10 122.764 -2.316 -20.855 1.00 0.00 H new ATOM 0 HD12 ILE A 10 121.345 -2.468 -21.918 1.00 0.00 H new ATOM 0 HD13 ILE A 10 122.976 -2.366 -22.622 1.00 0.00 H new ATOM 154 N SER A 11 118.602 0.988 -22.424 1.00 0.00 N ATOM 155 CA SER A 11 117.712 1.517 -21.397 1.00 0.00 C ATOM 156 C SER A 11 116.312 0.923 -21.528 1.00 0.00 C ATOM 157 O SER A 11 115.328 1.648 -21.669 1.00 0.00 O ATOM 158 CB SER A 11 117.644 3.043 -21.490 1.00 0.00 C ATOM 159 OG SER A 11 118.936 3.618 -21.400 1.00 0.00 O ATOM 0 H SER A 11 118.633 1.540 -23.281 1.00 0.00 H new ATOM 0 HA SER A 11 118.114 1.236 -20.423 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.179 3.333 -22.432 1.00 0.00 H new ATOM 0 HB3 SER A 11 117.013 3.431 -20.690 1.00 0.00 H new ATOM 0 HG SER A 11 119.352 3.628 -22.287 1.00 0.00 H new ATOM 165 N THR A 12 116.231 -0.403 -21.481 1.00 0.00 N ATOM 166 CA THR A 12 114.952 -1.094 -21.592 1.00 0.00 C ATOM 167 C THR A 12 114.210 -1.087 -20.260 1.00 0.00 C ATOM 168 O THR A 12 112.982 -1.021 -20.221 1.00 0.00 O ATOM 169 CB THR A 12 115.135 -2.550 -22.056 1.00 0.00 C ATOM 170 OG1 THR A 12 116.283 -2.654 -22.907 1.00 0.00 O ATOM 171 CG2 THR A 12 113.901 -3.040 -22.798 1.00 0.00 C ATOM 0 H THR A 12 117.035 -1.020 -21.367 1.00 0.00 H new ATOM 0 HA THR A 12 114.366 -0.556 -22.337 1.00 0.00 H new ATOM 0 HB THR A 12 115.281 -3.173 -21.174 1.00 0.00 H new ATOM 0 HG1 THR A 12 116.368 -1.838 -23.443 1.00 0.00 H new ATOM 0 HG21 THR A 12 114.053 -4.071 -23.116 1.00 0.00 H new ATOM 0 HG22 THR A 12 113.035 -2.988 -22.138 1.00 0.00 H new ATOM 0 HG23 THR A 12 113.729 -2.412 -23.672 1.00 0.00 H new ATOM 179 N LEU A 13 114.967 -1.157 -19.169 1.00 0.00 N ATOM 180 CA LEU A 13 114.385 -1.157 -17.832 1.00 0.00 C ATOM 181 C LEU A 13 114.066 0.263 -17.372 1.00 0.00 C ATOM 182 O LEU A 13 113.231 0.466 -16.491 1.00 0.00 O ATOM 183 CB LEU A 13 115.338 -1.824 -16.840 1.00 0.00 C ATOM 184 CG LEU A 13 114.845 -1.858 -15.392 1.00 0.00 C ATOM 185 CD1 LEU A 13 115.261 -3.155 -14.716 1.00 0.00 C ATOM 186 CD2 LEU A 13 115.377 -0.659 -14.622 1.00 0.00 C ATOM 0 H LEU A 13 115.985 -1.214 -19.185 1.00 0.00 H new ATOM 0 HA LEU A 13 113.454 -1.722 -17.870 1.00 0.00 H new ATOM 0 HB2 LEU A 13 115.523 -2.847 -17.169 1.00 0.00 H new ATOM 0 HB3 LEU A 13 116.294 -1.301 -16.870 1.00 0.00 H new ATOM 0 HG LEU A 13 113.756 -1.809 -15.397 1.00 0.00 H new ATOM 0 HD11 LEU A 13 114.901 -3.161 -13.687 1.00 0.00 H new ATOM 0 HD12 LEU A 13 114.832 -4.000 -15.255 1.00 0.00 H new ATOM 0 HD13 LEU A 13 116.348 -3.235 -14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 13 115.017 -0.698 -13.594 1.00 0.00 H new ATOM 0 HD22 LEU A 13 116.467 -0.678 -14.626 1.00 0.00 H new ATOM 0 HD23 LEU A 13 115.029 0.260 -15.094 1.00 0.00 H new ATOM 198 N PHE A 14 114.735 1.244 -17.974 1.00 0.00 N ATOM 199 CA PHE A 14 114.523 2.646 -17.625 1.00 0.00 C ATOM 200 C PHE A 14 113.036 2.987 -17.591 1.00 0.00 C ATOM 201 O PHE A 14 112.539 3.543 -16.611 1.00 0.00 O ATOM 202 CB PHE A 14 115.242 3.554 -18.625 1.00 0.00 C ATOM 203 CG PHE A 14 115.121 5.016 -18.302 1.00 0.00 C ATOM 204 CD1 PHE A 14 115.877 5.579 -17.286 1.00 0.00 C ATOM 205 CD2 PHE A 14 114.252 5.826 -19.014 1.00 0.00 C ATOM 206 CE1 PHE A 14 115.768 6.924 -16.987 1.00 0.00 C ATOM 207 CE2 PHE A 14 114.138 7.172 -18.719 1.00 0.00 C ATOM 208 CZ PHE A 14 114.897 7.721 -17.704 1.00 0.00 C ATOM 0 H PHE A 14 115.429 1.093 -18.706 1.00 0.00 H new ATOM 0 HA PHE A 14 114.934 2.810 -16.629 1.00 0.00 H new ATOM 0 HB2 PHE A 14 116.297 3.283 -18.656 1.00 0.00 H new ATOM 0 HB3 PHE A 14 114.838 3.376 -19.621 1.00 0.00 H new ATOM 0 HD1 PHE A 14 116.559 4.960 -16.722 1.00 0.00 H new ATOM 0 HD2 PHE A 14 113.657 5.401 -19.809 1.00 0.00 H new ATOM 0 HE1 PHE A 14 116.363 7.351 -16.194 1.00 0.00 H new ATOM 0 HE2 PHE A 14 113.457 7.793 -19.281 1.00 0.00 H new ATOM 0 HZ PHE A 14 114.810 8.772 -17.471 1.00 0.00 H new ATOM 218 N GLU A 15 112.331 2.650 -18.665 1.00 0.00 N ATOM 219 CA GLU A 15 110.901 2.920 -18.756 1.00 0.00 C ATOM 220 C GLU A 15 110.138 2.179 -17.662 1.00 0.00 C ATOM 221 O GLU A 15 109.102 2.646 -17.188 1.00 0.00 O ATOM 222 CB GLU A 15 110.370 2.516 -20.133 1.00 0.00 C ATOM 223 CG GLU A 15 109.475 3.566 -20.771 1.00 0.00 C ATOM 224 CD GLU A 15 109.068 3.203 -22.185 1.00 0.00 C ATOM 225 OE1 GLU A 15 109.802 3.569 -23.127 1.00 0.00 O ATOM 226 OE2 GLU A 15 108.014 2.553 -22.352 1.00 0.00 O ATOM 0 H GLU A 15 112.726 2.189 -19.485 1.00 0.00 H new ATOM 0 HA GLU A 15 110.748 3.990 -18.618 1.00 0.00 H new ATOM 0 HB2 GLU A 15 111.213 2.318 -20.795 1.00 0.00 H new ATOM 0 HB3 GLU A 15 109.813 1.584 -20.039 1.00 0.00 H new ATOM 0 HG2 GLU A 15 108.581 3.695 -20.161 1.00 0.00 H new ATOM 0 HG3 GLU A 15 109.995 4.524 -20.781 1.00 0.00 H new ATOM 233 N GLN A 16 110.656 1.021 -17.266 1.00 0.00 N ATOM 234 CA GLN A 16 110.024 0.216 -16.227 1.00 0.00 C ATOM 235 C GLN A 16 110.347 0.765 -14.842 1.00 0.00 C ATOM 236 O GLN A 16 109.520 0.709 -13.932 1.00 0.00 O ATOM 237 CB GLN A 16 110.482 -1.240 -16.330 1.00 0.00 C ATOM 238 CG GLN A 16 109.487 -2.233 -15.752 1.00 0.00 C ATOM 239 CD GLN A 16 108.697 -2.958 -16.824 1.00 0.00 C ATOM 240 OE1 GLN A 16 108.953 -4.126 -17.116 1.00 0.00 O ATOM 241 NE2 GLN A 16 107.730 -2.268 -17.416 1.00 0.00 N ATOM 0 H GLN A 16 111.512 0.619 -17.649 1.00 0.00 H new ATOM 0 HA GLN A 16 108.945 0.261 -16.374 1.00 0.00 H new ATOM 0 HB2 GLN A 16 110.659 -1.483 -17.378 1.00 0.00 H new ATOM 0 HB3 GLN A 16 111.435 -1.350 -15.812 1.00 0.00 H new ATOM 0 HG2 GLN A 16 110.020 -2.963 -15.143 1.00 0.00 H new ATOM 0 HG3 GLN A 16 108.798 -1.708 -15.091 1.00 0.00 H new ATOM 0 HE21 GLN A 16 107.552 -1.302 -17.143 1.00 0.00 H new ATOM 0 HE22 GLN A 16 107.165 -2.704 -18.144 1.00 0.00 H new ATOM 250 N ARG A 17 111.556 1.296 -14.688 1.00 0.00 N ATOM 251 CA ARG A 17 111.988 1.858 -13.414 1.00 0.00 C ATOM 252 C ARG A 17 111.091 3.021 -13.003 1.00 0.00 C ATOM 253 O ARG A 17 110.824 3.225 -11.819 1.00 0.00 O ATOM 254 CB ARG A 17 113.444 2.324 -13.505 1.00 0.00 C ATOM 255 CG ARG A 17 114.321 1.804 -12.378 1.00 0.00 C ATOM 256 CD ARG A 17 115.789 2.112 -12.628 1.00 0.00 C ATOM 257 NE ARG A 17 116.534 2.277 -11.382 1.00 0.00 N ATOM 258 CZ ARG A 17 117.728 2.860 -11.304 1.00 0.00 C ATOM 259 NH1 ARG A 17 118.315 3.334 -12.396 1.00 0.00 N ATOM 260 NH2 ARG A 17 118.338 2.968 -10.132 1.00 0.00 N ATOM 0 H ARG A 17 112.254 1.349 -15.430 1.00 0.00 H new ATOM 0 HA ARG A 17 111.912 1.079 -12.655 1.00 0.00 H new ATOM 0 HB2 ARG A 17 113.862 2.000 -14.458 1.00 0.00 H new ATOM 0 HB3 ARG A 17 113.469 3.414 -13.500 1.00 0.00 H new ATOM 0 HG2 ARG A 17 114.009 2.254 -11.435 1.00 0.00 H new ATOM 0 HG3 ARG A 17 114.186 0.727 -12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 17 116.234 1.307 -13.212 1.00 0.00 H new ATOM 0 HD3 ARG A 17 115.872 3.021 -13.223 1.00 0.00 H new ATOM 0 HE ARG A 17 116.115 1.925 -10.522 1.00 0.00 H new ATOM 0 HH11 ARG A 17 117.851 3.252 -13.301 1.00 0.00 H new ATOM 0 HH12 ARG A 17 119.230 3.780 -12.330 1.00 0.00 H new ATOM 0 HH21 ARG A 17 117.892 2.604 -9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 17 119.253 3.415 -10.073 1.00 0.00 H new ATOM 274 N GLN A 18 110.629 3.782 -13.990 1.00 0.00 N ATOM 275 CA GLN A 18 109.761 4.925 -13.733 1.00 0.00 C ATOM 276 C GLN A 18 108.345 4.467 -13.401 1.00 0.00 C ATOM 277 O GLN A 18 107.663 5.074 -12.575 1.00 0.00 O ATOM 278 CB GLN A 18 109.737 5.857 -14.946 1.00 0.00 C ATOM 279 CG GLN A 18 110.944 6.776 -15.031 1.00 0.00 C ATOM 280 CD GLN A 18 110.725 7.940 -15.978 1.00 0.00 C ATOM 281 OE1 GLN A 18 110.995 7.840 -17.175 1.00 0.00 O ATOM 282 NE2 GLN A 18 110.234 9.052 -15.445 1.00 0.00 N ATOM 0 H GLN A 18 110.842 3.627 -14.976 1.00 0.00 H new ATOM 0 HA GLN A 18 110.159 5.467 -12.875 1.00 0.00 H new ATOM 0 HB2 GLN A 18 109.683 5.256 -15.854 1.00 0.00 H new ATOM 0 HB3 GLN A 18 108.831 6.463 -14.910 1.00 0.00 H new ATOM 0 HG2 GLN A 18 111.175 7.159 -14.037 1.00 0.00 H new ATOM 0 HG3 GLN A 18 111.810 6.202 -15.360 1.00 0.00 H new ATOM 0 HE21 GLN A 18 110.025 9.090 -14.447 1.00 0.00 H new ATOM 0 HE22 GLN A 18 110.066 9.868 -16.033 1.00 0.00 H new ATOM 291 N ALA A 19 107.908 3.392 -14.049 1.00 0.00 N ATOM 292 CA ALA A 19 106.573 2.852 -13.822 1.00 0.00 C ATOM 293 C ALA A 19 106.507 2.095 -12.501 1.00 0.00 C ATOM 294 O ALA A 19 105.592 2.298 -11.703 1.00 0.00 O ATOM 295 CB ALA A 19 106.169 1.944 -14.974 1.00 0.00 C ATOM 0 H ALA A 19 108.460 2.878 -14.736 1.00 0.00 H new ATOM 0 HA ALA A 19 105.873 3.686 -13.769 1.00 0.00 H new ATOM 0 HB1 ALA A 19 105.170 1.548 -14.792 1.00 0.00 H new ATOM 0 HB2 ALA A 19 106.169 2.513 -15.903 1.00 0.00 H new ATOM 0 HB3 ALA A 19 106.878 1.120 -15.053 1.00 0.00 H new ATOM 301 N MET A 20 107.482 1.221 -12.276 1.00 0.00 N ATOM 302 CA MET A 20 107.535 0.432 -11.051 1.00 0.00 C ATOM 303 C MET A 20 107.756 1.329 -9.837 1.00 0.00 C ATOM 304 O MET A 20 107.218 1.077 -8.760 1.00 0.00 O ATOM 305 CB MET A 20 108.649 -0.612 -11.138 1.00 0.00 C ATOM 306 CG MET A 20 108.194 -1.940 -11.724 1.00 0.00 C ATOM 307 SD MET A 20 108.663 -3.351 -10.703 1.00 0.00 S ATOM 308 CE MET A 20 107.962 -2.876 -9.125 1.00 0.00 C ATOM 0 H MET A 20 108.247 1.041 -12.926 1.00 0.00 H new ATOM 0 HA MET A 20 106.579 -0.078 -10.935 1.00 0.00 H new ATOM 0 HB2 MET A 20 109.461 -0.215 -11.747 1.00 0.00 H new ATOM 0 HB3 MET A 20 109.053 -0.784 -10.140 1.00 0.00 H new ATOM 0 HG2 MET A 20 107.111 -1.927 -11.843 1.00 0.00 H new ATOM 0 HG3 MET A 20 108.623 -2.059 -12.719 1.00 0.00 H new ATOM 0 HE1 MET A 20 107.602 -3.764 -8.605 1.00 0.00 H new ATOM 0 HE2 MET A 20 108.725 -2.386 -8.521 1.00 0.00 H new ATOM 0 HE3 MET A 20 107.131 -2.189 -9.288 1.00 0.00 H new ATOM 318 N LEU A 21 108.553 2.377 -10.019 1.00 0.00 N ATOM 319 CA LEU A 21 108.845 3.312 -8.939 1.00 0.00 C ATOM 320 C LEU A 21 107.608 4.126 -8.574 1.00 0.00 C ATOM 321 O LEU A 21 107.442 4.541 -7.427 1.00 0.00 O ATOM 322 CB LEU A 21 109.986 4.249 -9.339 1.00 0.00 C ATOM 323 CG LEU A 21 110.406 5.253 -8.265 1.00 0.00 C ATOM 324 CD1 LEU A 21 111.901 5.523 -8.340 1.00 0.00 C ATOM 325 CD2 LEU A 21 109.620 6.547 -8.412 1.00 0.00 C ATOM 0 H LEU A 21 109.008 2.600 -10.904 1.00 0.00 H new ATOM 0 HA LEU A 21 109.149 2.734 -8.066 1.00 0.00 H new ATOM 0 HB2 LEU A 21 110.853 3.646 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 21 109.688 4.799 -10.232 1.00 0.00 H new ATOM 0 HG LEU A 21 110.185 4.825 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 21 112.180 6.240 -7.568 1.00 0.00 H new ATOM 0 HD12 LEU A 21 112.447 4.592 -8.186 1.00 0.00 H new ATOM 0 HD13 LEU A 21 112.148 5.931 -9.320 1.00 0.00 H new ATOM 0 HD21 LEU A 21 109.931 7.251 -7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 21 109.810 6.979 -9.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 108.555 6.340 -8.307 1.00 0.00 H new ATOM 337 N GLN A 22 106.741 4.351 -9.557 1.00 0.00 N ATOM 338 CA GLN A 22 105.518 5.114 -9.339 1.00 0.00 C ATOM 339 C GLN A 22 104.677 4.486 -8.230 1.00 0.00 C ATOM 340 O GLN A 22 104.534 5.055 -7.148 1.00 0.00 O ATOM 341 CB GLN A 22 104.705 5.196 -10.634 1.00 0.00 C ATOM 342 CG GLN A 22 104.523 6.614 -11.149 1.00 0.00 C ATOM 343 CD GLN A 22 103.323 6.751 -12.066 1.00 0.00 C ATOM 344 OE1 GLN A 22 103.054 5.877 -12.890 1.00 0.00 O ATOM 345 NE2 GLN A 22 102.594 7.852 -11.926 1.00 0.00 N ATOM 0 H GLN A 22 106.864 4.015 -10.512 1.00 0.00 H new ATOM 0 HA GLN A 22 105.796 6.122 -9.031 1.00 0.00 H new ATOM 0 HB2 GLN A 22 105.199 4.600 -11.402 1.00 0.00 H new ATOM 0 HB3 GLN A 22 103.724 4.751 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 22 104.409 7.292 -10.303 1.00 0.00 H new ATOM 0 HG3 GLN A 22 105.422 6.921 -11.684 1.00 0.00 H new ATOM 0 HE21 GLN A 22 102.854 8.551 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 22 101.774 7.999 -12.515 1.00 0.00 H new ATOM 354 N SER A 23 104.123 3.310 -8.508 1.00 0.00 N ATOM 355 CA SER A 23 103.299 2.602 -7.535 1.00 0.00 C ATOM 356 C SER A 23 102.150 3.481 -7.049 1.00 0.00 C ATOM 357 O SER A 23 101.911 4.562 -7.588 1.00 0.00 O ATOM 358 CB SER A 23 104.150 2.153 -6.346 1.00 0.00 C ATOM 359 OG SER A 23 104.391 3.228 -5.455 1.00 0.00 O ATOM 0 H SER A 23 104.230 2.827 -9.400 1.00 0.00 H new ATOM 0 HA SER A 23 102.878 1.724 -8.025 1.00 0.00 H new ATOM 0 HB2 SER A 23 103.644 1.345 -5.817 1.00 0.00 H new ATOM 0 HB3 SER A 23 105.099 1.754 -6.704 1.00 0.00 H new ATOM 0 HG SER A 23 104.729 3.999 -5.957 1.00 0.00 H new ATOM 365 N ILE A 24 101.442 3.010 -6.028 1.00 0.00 N ATOM 366 CA ILE A 24 100.320 3.753 -5.469 1.00 0.00 C ATOM 367 C ILE A 24 100.776 4.667 -4.337 1.00 0.00 C ATOM 368 O ILE A 24 100.718 5.891 -4.452 1.00 0.00 O ATOM 369 CB ILE A 24 99.224 2.806 -4.942 1.00 0.00 C ATOM 370 CG1 ILE A 24 98.881 1.751 -5.995 1.00 0.00 C ATOM 371 CG2 ILE A 24 97.984 3.597 -4.551 1.00 0.00 C ATOM 372 CD1 ILE A 24 99.600 0.435 -5.790 1.00 0.00 C ATOM 0 H ILE A 24 101.626 2.117 -5.571 1.00 0.00 H new ATOM 0 HA ILE A 24 99.907 4.358 -6.277 1.00 0.00 H new ATOM 0 HB ILE A 24 99.600 2.296 -4.055 1.00 0.00 H new ATOM 0 HG12 ILE A 24 97.806 1.574 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 24 99.129 2.141 -6.982 1.00 0.00 H new ATOM 0 HG21 ILE A 24 97.219 2.915 -4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 24 98.240 4.313 -3.770 1.00 0.00 H new ATOM 0 HG23 ILE A 24 97.603 4.131 -5.422 1.00 0.00 H new ATOM 0 HD11 ILE A 24 99.308 -0.265 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 24 100.677 0.598 -5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 24 99.333 0.022 -4.817 1.00 0.00 H new ATOM 384 N LYS A 25 101.231 4.064 -3.243 1.00 0.00 N ATOM 385 CA LYS A 25 101.699 4.824 -2.088 1.00 0.00 C ATOM 386 C LYS A 25 100.605 5.751 -1.566 1.00 0.00 C ATOM 387 O LYS A 25 100.836 6.941 -1.348 1.00 0.00 O ATOM 388 CB LYS A 25 102.943 5.635 -2.457 1.00 0.00 C ATOM 389 CG LYS A 25 103.824 5.973 -1.265 1.00 0.00 C ATOM 390 CD LYS A 25 105.167 6.532 -1.706 1.00 0.00 C ATOM 391 CE LYS A 25 106.284 6.104 -0.769 1.00 0.00 C ATOM 392 NZ LYS A 25 105.902 6.263 0.662 1.00 0.00 N ATOM 0 H LYS A 25 101.286 3.052 -3.132 1.00 0.00 H new ATOM 0 HA LYS A 25 101.956 4.118 -1.298 1.00 0.00 H new ATOM 0 HB2 LYS A 25 103.530 5.074 -3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 25 102.633 6.560 -2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 25 103.317 6.700 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 25 103.981 5.079 -0.662 1.00 0.00 H new ATOM 0 HD2 LYS A 25 105.389 6.192 -2.718 1.00 0.00 H new ATOM 0 HD3 LYS A 25 105.116 7.620 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 25 106.541 5.062 -0.962 1.00 0.00 H new ATOM 0 HE3 LYS A 25 107.176 6.695 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 106.728 6.578 1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 105.143 6.970 0.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 105.567 5.352 1.035 1.00 0.00 H new ATOM 406 N GLU A 26 99.414 5.197 -1.366 1.00 0.00 N ATOM 407 CA GLU A 26 98.283 5.973 -0.871 1.00 0.00 C ATOM 408 C GLU A 26 98.143 5.827 0.642 1.00 0.00 C ATOM 409 O GLU A 26 97.040 5.659 1.161 1.00 0.00 O ATOM 410 CB GLU A 26 96.992 5.528 -1.561 1.00 0.00 C ATOM 411 CG GLU A 26 95.829 6.485 -1.354 1.00 0.00 C ATOM 412 CD GLU A 26 94.824 6.434 -2.488 1.00 0.00 C ATOM 413 OE1 GLU A 26 95.216 6.710 -3.642 1.00 0.00 O ATOM 414 OE2 GLU A 26 93.645 6.118 -2.223 1.00 0.00 O ATOM 0 H GLU A 26 99.207 4.213 -1.539 1.00 0.00 H new ATOM 0 HA GLU A 26 98.466 7.023 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 26 97.179 5.423 -2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 26 96.712 4.543 -1.188 1.00 0.00 H new ATOM 0 HG2 GLU A 26 95.327 6.244 -0.417 1.00 0.00 H new ATOM 0 HG3 GLU A 26 96.212 7.501 -1.258 1.00 0.00 H new ATOM 421 N GLY A 27 99.270 5.893 1.344 1.00 0.00 N ATOM 422 CA GLY A 27 99.252 5.766 2.789 1.00 0.00 C ATOM 423 C GLY A 27 98.902 4.363 3.244 1.00 0.00 C ATOM 424 O GLY A 27 97.945 3.764 2.752 1.00 0.00 O ATOM 0 H GLY A 27 100.195 6.032 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 27 100.229 6.040 3.187 1.00 0.00 H new ATOM 0 HA3 GLY A 27 98.530 6.470 3.203 1.00 0.00 H new ATOM 428 N VAL A 28 99.678 3.837 4.187 1.00 0.00 N ATOM 429 CA VAL A 28 99.444 2.496 4.708 1.00 0.00 C ATOM 430 C VAL A 28 98.982 2.543 6.161 1.00 0.00 C ATOM 431 O VAL A 28 99.790 2.705 7.075 1.00 0.00 O ATOM 432 CB VAL A 28 100.712 1.627 4.613 1.00 0.00 C ATOM 433 CG1 VAL A 28 100.402 0.185 4.985 1.00 0.00 C ATOM 434 CG2 VAL A 28 101.312 1.709 3.218 1.00 0.00 C ATOM 0 H VAL A 28 100.474 4.319 4.605 1.00 0.00 H new ATOM 0 HA VAL A 28 98.661 2.051 4.094 1.00 0.00 H new ATOM 0 HB VAL A 28 101.446 2.010 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 28 101.310 -0.413 4.912 1.00 0.00 H new ATOM 0 HG12 VAL A 28 100.023 0.146 6.006 1.00 0.00 H new ATOM 0 HG13 VAL A 28 99.650 -0.213 4.304 1.00 0.00 H new ATOM 0 HG21 VAL A 28 102.207 1.089 3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 28 100.585 1.354 2.488 1.00 0.00 H new ATOM 0 HG23 VAL A 28 101.575 2.743 2.995 1.00 0.00 H new ATOM 444 N VAL A 29 97.677 2.401 6.366 1.00 0.00 N ATOM 445 CA VAL A 29 97.107 2.426 7.708 1.00 0.00 C ATOM 446 C VAL A 29 96.127 1.275 7.910 1.00 0.00 C ATOM 447 O VAL A 29 95.309 0.983 7.037 1.00 0.00 O ATOM 448 CB VAL A 29 96.382 3.757 7.986 1.00 0.00 C ATOM 449 CG1 VAL A 29 95.958 3.842 9.446 1.00 0.00 C ATOM 450 CG2 VAL A 29 97.268 4.935 7.609 1.00 0.00 C ATOM 0 H VAL A 29 96.994 2.267 5.620 1.00 0.00 H new ATOM 0 HA VAL A 29 97.937 2.320 8.406 1.00 0.00 H new ATOM 0 HB VAL A 29 95.483 3.796 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 29 95.448 4.789 9.622 1.00 0.00 H new ATOM 0 HG12 VAL A 29 95.283 3.018 9.678 1.00 0.00 H new ATOM 0 HG13 VAL A 29 96.839 3.780 10.085 1.00 0.00 H new ATOM 0 HG21 VAL A 29 96.740 5.867 7.812 1.00 0.00 H new ATOM 0 HG22 VAL A 29 98.186 4.903 8.196 1.00 0.00 H new ATOM 0 HG23 VAL A 29 97.514 4.881 6.548 1.00 0.00 H new ATOM 460 N ALA A 30 96.215 0.625 9.065 1.00 0.00 N ATOM 461 CA ALA A 30 95.337 -0.495 9.381 1.00 0.00 C ATOM 462 C ALA A 30 94.301 -0.104 10.429 1.00 0.00 C ATOM 463 O ALA A 30 94.633 0.496 11.451 1.00 0.00 O ATOM 464 CB ALA A 30 96.153 -1.685 9.862 1.00 0.00 C ATOM 0 H ALA A 30 96.886 0.855 9.798 1.00 0.00 H new ATOM 0 HA ALA A 30 94.806 -0.775 8.471 1.00 0.00 H new ATOM 0 HB1 ALA A 30 95.485 -2.514 10.094 1.00 0.00 H new ATOM 0 HB2 ALA A 30 96.850 -1.988 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 30 96.710 -1.406 10.756 1.00 0.00 H new ATOM 470 N VAL A 31 93.043 -0.448 10.168 1.00 0.00 N ATOM 471 CA VAL A 31 91.957 -0.134 11.089 1.00 0.00 C ATOM 472 C VAL A 31 91.212 -1.400 11.506 1.00 0.00 C ATOM 473 O VAL A 31 90.534 -2.029 10.694 1.00 0.00 O ATOM 474 CB VAL A 31 90.960 0.862 10.464 1.00 0.00 C ATOM 475 CG1 VAL A 31 91.650 2.181 10.150 1.00 0.00 C ATOM 476 CG2 VAL A 31 90.327 0.273 9.212 1.00 0.00 C ATOM 0 H VAL A 31 92.751 -0.944 9.326 1.00 0.00 H new ATOM 0 HA VAL A 31 92.406 0.325 11.970 1.00 0.00 H new ATOM 0 HB VAL A 31 90.167 1.055 11.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.931 2.872 9.709 1.00 0.00 H new ATOM 0 HG12 VAL A 31 92.050 2.610 11.069 1.00 0.00 H new ATOM 0 HG13 VAL A 31 92.464 2.007 9.446 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.627 0.991 8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.105 0.048 8.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 89.795 -0.643 9.470 1.00 0.00 H new ATOM 486 N ASP A 32 91.342 -1.766 12.778 1.00 0.00 N ATOM 487 CA ASP A 32 90.687 -2.959 13.306 1.00 0.00 C ATOM 488 C ASP A 32 89.181 -2.918 13.062 1.00 0.00 C ATOM 489 O ASP A 32 88.459 -2.157 13.705 1.00 0.00 O ATOM 490 CB ASP A 32 90.966 -3.098 14.804 1.00 0.00 C ATOM 491 CG ASP A 32 90.522 -4.440 15.353 1.00 0.00 C ATOM 492 OD1 ASP A 32 90.356 -5.384 14.552 1.00 0.00 O ATOM 493 OD2 ASP A 32 90.341 -4.547 16.584 1.00 0.00 O ATOM 0 H ASP A 32 91.896 -1.253 13.463 1.00 0.00 H new ATOM 0 HA ASP A 32 91.095 -3.823 12.781 1.00 0.00 H new ATOM 0 HB2 ASP A 32 92.033 -2.969 14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 32 90.453 -2.301 15.342 1.00 0.00 H new ATOM 498 N ASP A 33 88.715 -3.746 12.130 1.00 0.00 N ATOM 499 CA ASP A 33 87.295 -3.809 11.799 1.00 0.00 C ATOM 500 C ASP A 33 86.785 -2.450 11.323 1.00 0.00 C ATOM 501 O ASP A 33 86.718 -2.189 10.122 1.00 0.00 O ATOM 502 CB ASP A 33 86.488 -4.286 13.009 1.00 0.00 C ATOM 503 CG ASP A 33 86.736 -5.747 13.330 1.00 0.00 C ATOM 504 OD1 ASP A 33 87.195 -6.483 12.431 1.00 0.00 O ATOM 505 OD2 ASP A 33 86.470 -6.156 14.480 1.00 0.00 O ATOM 0 H ASP A 33 89.301 -4.383 11.591 1.00 0.00 H new ATOM 0 HA ASP A 33 87.166 -4.524 10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 33 86.745 -3.678 13.876 1.00 0.00 H new ATOM 0 HB3 ASP A 33 85.426 -4.134 12.817 1.00 0.00 H new ATOM 510 N ARG A 34 86.427 -1.587 12.269 1.00 0.00 N ATOM 511 CA ARG A 34 85.930 -0.257 11.943 1.00 0.00 C ATOM 512 C ARG A 34 87.091 0.666 11.575 1.00 0.00 C ATOM 513 O ARG A 34 88.145 0.198 11.143 1.00 0.00 O ATOM 514 CB ARG A 34 85.140 0.316 13.125 1.00 0.00 C ATOM 515 CG ARG A 34 84.154 -0.669 13.733 1.00 0.00 C ATOM 516 CD ARG A 34 83.969 -0.426 15.223 1.00 0.00 C ATOM 517 NE ARG A 34 82.643 0.104 15.531 1.00 0.00 N ATOM 518 CZ ARG A 34 82.303 1.382 15.385 1.00 0.00 C ATOM 519 NH1 ARG A 34 83.187 2.264 14.934 1.00 0.00 N ATOM 520 NH2 ARG A 34 81.075 1.780 15.689 1.00 0.00 N ATOM 0 H ARG A 34 86.472 -1.786 13.268 1.00 0.00 H new ATOM 0 HA ARG A 34 85.263 -0.331 11.084 1.00 0.00 H new ATOM 0 HB2 ARG A 34 85.839 0.640 13.896 1.00 0.00 H new ATOM 0 HB3 ARG A 34 84.598 1.202 12.794 1.00 0.00 H new ATOM 0 HG2 ARG A 34 83.192 -0.582 13.227 1.00 0.00 H new ATOM 0 HG3 ARG A 34 84.508 -1.687 13.571 1.00 0.00 H new ATOM 0 HD2 ARG A 34 84.121 -1.360 15.764 1.00 0.00 H new ATOM 0 HD3 ARG A 34 84.729 0.272 15.573 1.00 0.00 H new ATOM 0 HE ARG A 34 81.936 -0.544 15.879 1.00 0.00 H new ATOM 0 HH11 ARG A 34 84.132 1.963 14.697 1.00 0.00 H new ATOM 0 HH12 ARG A 34 82.921 3.242 14.824 1.00 0.00 H new ATOM 0 HH21 ARG A 34 80.391 1.106 16.035 1.00 0.00 H new ATOM 0 HH22 ARG A 34 80.814 2.760 15.577 1.00 0.00 H new ATOM 534 N GLY A 35 86.901 1.972 11.743 1.00 0.00 N ATOM 535 CA GLY A 35 87.954 2.917 11.422 1.00 0.00 C ATOM 536 C GLY A 35 88.827 3.246 12.618 1.00 0.00 C ATOM 537 O GLY A 35 89.245 4.391 12.792 1.00 0.00 O ATOM 0 H GLY A 35 86.040 2.391 12.094 1.00 0.00 H new ATOM 0 HA2 GLY A 35 88.575 2.507 10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.509 3.835 11.038 1.00 0.00 H new ATOM 541 N GLU A 36 89.104 2.241 13.444 1.00 0.00 N ATOM 542 CA GLU A 36 89.936 2.431 14.626 1.00 0.00 C ATOM 543 C GLU A 36 91.384 2.694 14.229 1.00 0.00 C ATOM 544 O GLU A 36 92.148 1.763 13.971 1.00 0.00 O ATOM 545 CB GLU A 36 89.858 1.201 15.534 1.00 0.00 C ATOM 546 CG GLU A 36 90.699 1.318 16.795 1.00 0.00 C ATOM 547 CD GLU A 36 91.071 -0.032 17.375 1.00 0.00 C ATOM 548 OE1 GLU A 36 90.266 -0.587 18.152 1.00 0.00 O ATOM 549 OE2 GLU A 36 92.168 -0.535 17.053 1.00 0.00 O ATOM 0 H GLU A 36 88.764 1.288 13.316 1.00 0.00 H new ATOM 0 HA GLU A 36 89.562 3.298 15.171 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.818 1.034 15.816 1.00 0.00 H new ATOM 0 HB3 GLU A 36 90.181 0.325 14.972 1.00 0.00 H new ATOM 0 HG2 GLU A 36 91.608 1.876 16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 36 90.150 1.891 17.542 1.00 0.00 H new ATOM 556 N VAL A 37 91.756 3.969 14.181 1.00 0.00 N ATOM 557 CA VAL A 37 93.112 4.355 13.813 1.00 0.00 C ATOM 558 C VAL A 37 93.981 4.564 15.047 1.00 0.00 C ATOM 559 O VAL A 37 94.052 5.666 15.591 1.00 0.00 O ATOM 560 CB VAL A 37 93.118 5.643 12.969 1.00 0.00 C ATOM 561 CG1 VAL A 37 92.554 5.374 11.582 1.00 0.00 C ATOM 562 CG2 VAL A 37 92.335 6.746 13.668 1.00 0.00 C ATOM 0 H VAL A 37 91.137 4.752 14.392 1.00 0.00 H new ATOM 0 HA VAL A 37 93.523 3.538 13.220 1.00 0.00 H new ATOM 0 HB VAL A 37 94.149 5.978 12.858 1.00 0.00 H new ATOM 0 HG11 VAL A 37 92.566 6.295 10.999 1.00 0.00 H new ATOM 0 HG12 VAL A 37 93.162 4.620 11.082 1.00 0.00 H new ATOM 0 HG13 VAL A 37 91.529 5.013 11.670 1.00 0.00 H new ATOM 0 HG21 VAL A 37 92.351 7.648 13.056 1.00 0.00 H new ATOM 0 HG22 VAL A 37 91.304 6.424 13.813 1.00 0.00 H new ATOM 0 HG23 VAL A 37 92.789 6.957 14.636 1.00 0.00 H new ATOM 572 N THR A 38 94.643 3.497 15.485 1.00 0.00 N ATOM 573 CA THR A 38 95.510 3.561 16.656 1.00 0.00 C ATOM 574 C THR A 38 96.853 2.882 16.393 1.00 0.00 C ATOM 575 O THR A 38 97.623 2.633 17.321 1.00 0.00 O ATOM 576 CB THR A 38 94.847 2.902 17.880 1.00 0.00 C ATOM 577 OG1 THR A 38 95.727 2.968 19.009 1.00 0.00 O ATOM 578 CG2 THR A 38 94.496 1.451 17.589 1.00 0.00 C ATOM 0 H THR A 38 94.595 2.578 15.046 1.00 0.00 H new ATOM 0 HA THR A 38 95.678 4.618 16.864 1.00 0.00 H new ATOM 0 HB THR A 38 93.928 3.444 18.104 1.00 0.00 H new ATOM 0 HG1 THR A 38 96.656 3.008 18.698 1.00 0.00 H new ATOM 0 HG21 THR A 38 94.029 1.006 18.468 1.00 0.00 H new ATOM 0 HG22 THR A 38 93.804 1.406 16.748 1.00 0.00 H new ATOM 0 HG23 THR A 38 95.403 0.900 17.342 1.00 0.00 H new ATOM 586 N LEU A 39 97.131 2.583 15.126 1.00 0.00 N ATOM 587 CA LEU A 39 98.381 1.933 14.751 1.00 0.00 C ATOM 588 C LEU A 39 98.804 2.339 13.343 1.00 0.00 C ATOM 589 O LEU A 39 98.096 2.074 12.371 1.00 0.00 O ATOM 590 CB LEU A 39 98.234 0.412 14.833 1.00 0.00 C ATOM 591 CG LEU A 39 99.538 -0.355 15.052 1.00 0.00 C ATOM 592 CD1 LEU A 39 99.252 -1.816 15.361 1.00 0.00 C ATOM 593 CD2 LEU A 39 100.439 -0.233 13.833 1.00 0.00 C ATOM 0 H LEU A 39 96.507 2.781 14.344 1.00 0.00 H new ATOM 0 HA LEU A 39 99.153 2.255 15.450 1.00 0.00 H new ATOM 0 HB2 LEU A 39 97.549 0.172 15.646 1.00 0.00 H new ATOM 0 HB3 LEU A 39 97.772 0.057 13.912 1.00 0.00 H new ATOM 0 HG LEU A 39 100.055 0.082 15.907 1.00 0.00 H new ATOM 0 HD11 LEU A 39 100.192 -2.346 15.514 1.00 0.00 H new ATOM 0 HD12 LEU A 39 98.645 -1.885 16.264 1.00 0.00 H new ATOM 0 HD13 LEU A 39 98.713 -2.266 14.527 1.00 0.00 H new ATOM 0 HD21 LEU A 39 101.363 -0.785 14.007 1.00 0.00 H new ATOM 0 HD22 LEU A 39 99.929 -0.643 12.961 1.00 0.00 H new ATOM 0 HD23 LEU A 39 100.672 0.817 13.656 1.00 0.00 H new ATOM 605 N ILE A 40 99.961 2.986 13.239 1.00 0.00 N ATOM 606 CA ILE A 40 100.476 3.428 11.948 1.00 0.00 C ATOM 607 C ILE A 40 101.735 2.656 11.565 1.00 0.00 C ATOM 608 O ILE A 40 102.504 2.234 12.429 1.00 0.00 O ATOM 609 CB ILE A 40 100.788 4.939 11.952 1.00 0.00 C ATOM 610 CG1 ILE A 40 101.200 5.402 10.553 1.00 0.00 C ATOM 611 CG2 ILE A 40 101.878 5.258 12.965 1.00 0.00 C ATOM 612 CD1 ILE A 40 101.501 6.882 10.471 1.00 0.00 C ATOM 0 H ILE A 40 100.559 3.216 14.033 1.00 0.00 H new ATOM 0 HA ILE A 40 99.697 3.231 11.212 1.00 0.00 H new ATOM 0 HB ILE A 40 99.885 5.477 12.242 1.00 0.00 H new ATOM 0 HG12 ILE A 40 102.081 4.842 10.239 1.00 0.00 H new ATOM 0 HG13 ILE A 40 100.402 5.162 9.850 1.00 0.00 H new ATOM 0 HG21 ILE A 40 102.084 6.328 12.953 1.00 0.00 H new ATOM 0 HG22 ILE A 40 101.547 4.963 13.961 1.00 0.00 H new ATOM 0 HG23 ILE A 40 102.785 4.711 12.708 1.00 0.00 H new ATOM 0 HD11 ILE A 40 101.786 7.139 9.451 1.00 0.00 H new ATOM 0 HD12 ILE A 40 100.615 7.450 10.754 1.00 0.00 H new ATOM 0 HD13 ILE A 40 102.319 7.125 11.149 1.00 0.00 H new ATOM 624 N ASN A 41 101.939 2.474 10.264 1.00 0.00 N ATOM 625 CA ASN A 41 103.104 1.753 9.766 1.00 0.00 C ATOM 626 C ASN A 41 104.333 2.657 9.737 1.00 0.00 C ATOM 627 O ASN A 41 104.216 3.875 9.600 1.00 0.00 O ATOM 628 CB ASN A 41 102.826 1.199 8.366 1.00 0.00 C ATOM 629 CG ASN A 41 103.028 -0.301 8.286 1.00 0.00 C ATOM 630 OD1 ASN A 41 102.081 -1.075 8.423 1.00 0.00 O ATOM 631 ND2 ASN A 41 104.269 -0.720 8.064 1.00 0.00 N ATOM 0 H ASN A 41 101.312 2.816 9.536 1.00 0.00 H new ATOM 0 HA ASN A 41 103.305 0.923 10.443 1.00 0.00 H new ATOM 0 HB2 ASN A 41 101.802 1.441 8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 41 103.482 1.690 7.647 1.00 0.00 H new ATOM 0 HD21 ASN A 41 104.466 -1.719 8.001 1.00 0.00 H new ATOM 0 HD22 ASN A 41 105.024 -0.043 7.956 1.00 0.00 H new ATOM 638 N ASP A 42 105.509 2.053 9.867 1.00 0.00 N ATOM 639 CA ASP A 42 106.760 2.804 9.858 1.00 0.00 C ATOM 640 C ASP A 42 106.918 3.589 8.559 1.00 0.00 C ATOM 641 O ASP A 42 107.527 4.658 8.538 1.00 0.00 O ATOM 642 CB ASP A 42 107.949 1.859 10.043 1.00 0.00 C ATOM 643 CG ASP A 42 107.856 0.629 9.162 1.00 0.00 C ATOM 644 OD1 ASP A 42 107.087 0.660 8.179 1.00 0.00 O ATOM 645 OD2 ASP A 42 108.552 -0.366 9.456 1.00 0.00 O ATOM 0 H ASP A 42 105.623 1.046 9.980 1.00 0.00 H new ATOM 0 HA ASP A 42 106.733 3.511 10.687 1.00 0.00 H new ATOM 0 HB2 ASP A 42 108.872 2.394 9.819 1.00 0.00 H new ATOM 0 HB3 ASP A 42 108.005 1.551 11.087 1.00 0.00 H new ATOM 650 N ALA A 43 106.366 3.050 7.476 1.00 0.00 N ATOM 651 CA ALA A 43 106.446 3.700 6.174 1.00 0.00 C ATOM 652 C ALA A 43 105.437 4.837 6.063 1.00 0.00 C ATOM 653 O ALA A 43 105.716 5.871 5.454 1.00 0.00 O ATOM 654 CB ALA A 43 106.222 2.684 5.064 1.00 0.00 C ATOM 0 H ALA A 43 105.859 2.165 7.475 1.00 0.00 H new ATOM 0 HA ALA A 43 107.444 4.125 6.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 106.284 3.182 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 43 106.985 1.908 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 43 105.236 2.233 5.177 1.00 0.00 H new ATOM 660 N ALA A 44 104.263 4.640 6.654 1.00 0.00 N ATOM 661 CA ALA A 44 103.212 5.650 6.620 1.00 0.00 C ATOM 662 C ALA A 44 103.643 6.918 7.347 1.00 0.00 C ATOM 663 O ALA A 44 103.255 8.024 6.971 1.00 0.00 O ATOM 664 CB ALA A 44 101.932 5.098 7.230 1.00 0.00 C ATOM 0 H ALA A 44 104.016 3.791 7.162 1.00 0.00 H new ATOM 0 HA ALA A 44 103.024 5.908 5.578 1.00 0.00 H new ATOM 0 HB1 ALA A 44 101.155 5.862 7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 44 101.606 4.225 6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 44 102.117 4.811 8.265 1.00 0.00 H new ATOM 670 N GLN A 45 104.449 6.751 8.391 1.00 0.00 N ATOM 671 CA GLN A 45 104.932 7.883 9.173 1.00 0.00 C ATOM 672 C GLN A 45 105.941 8.705 8.377 1.00 0.00 C ATOM 673 O GLN A 45 106.034 9.922 8.544 1.00 0.00 O ATOM 674 CB GLN A 45 105.570 7.395 10.474 1.00 0.00 C ATOM 675 CG GLN A 45 104.571 6.811 11.459 1.00 0.00 C ATOM 676 CD GLN A 45 105.237 5.993 12.548 1.00 0.00 C ATOM 677 OE1 GLN A 45 105.840 4.955 12.279 1.00 0.00 O ATOM 678 NE2 GLN A 45 105.129 6.457 13.788 1.00 0.00 N ATOM 0 H GLN A 45 104.781 5.843 8.715 1.00 0.00 H new ATOM 0 HA GLN A 45 104.079 8.519 9.410 1.00 0.00 H new ATOM 0 HB2 GLN A 45 106.321 6.640 10.240 1.00 0.00 H new ATOM 0 HB3 GLN A 45 106.091 8.227 10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 45 104.000 7.620 11.915 1.00 0.00 H new ATOM 0 HG3 GLN A 45 103.860 6.183 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 45 104.620 7.323 13.966 1.00 0.00 H new ATOM 0 HE22 GLN A 45 105.556 5.948 14.562 1.00 0.00 H new ATOM 687 N GLU A 46 106.696 8.034 7.514 1.00 0.00 N ATOM 688 CA GLU A 46 107.699 8.704 6.695 1.00 0.00 C ATOM 689 C GLU A 46 107.058 9.763 5.803 1.00 0.00 C ATOM 690 O GLU A 46 107.632 10.829 5.578 1.00 0.00 O ATOM 691 CB GLU A 46 108.453 7.682 5.839 1.00 0.00 C ATOM 692 CG GLU A 46 109.933 7.584 6.174 1.00 0.00 C ATOM 693 CD GLU A 46 110.721 6.837 5.117 1.00 0.00 C ATOM 694 OE1 GLU A 46 110.373 5.673 4.828 1.00 0.00 O ATOM 695 OE2 GLU A 46 111.688 7.416 4.577 1.00 0.00 O ATOM 0 H GLU A 46 106.632 7.027 7.364 1.00 0.00 H new ATOM 0 HA GLU A 46 108.405 9.200 7.362 1.00 0.00 H new ATOM 0 HB2 GLU A 46 107.994 6.702 5.969 1.00 0.00 H new ATOM 0 HB3 GLU A 46 108.343 7.949 4.788 1.00 0.00 H new ATOM 0 HG2 GLU A 46 110.344 8.587 6.287 1.00 0.00 H new ATOM 0 HG3 GLU A 46 110.052 7.081 7.134 1.00 0.00 H new ATOM 702 N LEU A 47 105.865 9.465 5.298 1.00 0.00 N ATOM 703 CA LEU A 47 105.148 10.393 4.431 1.00 0.00 C ATOM 704 C LEU A 47 104.891 11.717 5.142 1.00 0.00 C ATOM 705 O LEU A 47 105.434 12.754 4.760 1.00 0.00 O ATOM 706 CB LEU A 47 103.823 9.779 3.975 1.00 0.00 C ATOM 707 CG LEU A 47 103.408 10.125 2.544 1.00 0.00 C ATOM 708 CD1 LEU A 47 104.049 9.162 1.556 1.00 0.00 C ATOM 709 CD2 LEU A 47 101.893 10.101 2.409 1.00 0.00 C ATOM 0 H LEU A 47 105.375 8.588 5.474 1.00 0.00 H new ATOM 0 HA LEU A 47 105.770 10.587 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 47 103.892 8.695 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 47 103.036 10.106 4.654 1.00 0.00 H new ATOM 0 HG LEU A 47 103.757 11.132 2.317 1.00 0.00 H new ATOM 0 HD11 LEU A 47 103.743 9.423 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 47 105.134 9.228 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 47 103.730 8.144 1.781 1.00 0.00 H new ATOM 0 HD21 LEU A 47 101.615 10.349 1.385 1.00 0.00 H new ATOM 0 HD22 LEU A 47 101.522 9.106 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 47 101.455 10.830 3.091 1.00 0.00 H new ATOM 721 N LEU A 48 104.060 11.675 6.178 1.00 0.00 N ATOM 722 CA LEU A 48 103.733 12.873 6.943 1.00 0.00 C ATOM 723 C LEU A 48 104.953 13.380 7.706 1.00 0.00 C ATOM 724 O LEU A 48 105.406 14.505 7.494 1.00 0.00 O ATOM 725 CB LEU A 48 102.588 12.584 7.918 1.00 0.00 C ATOM 726 CG LEU A 48 101.201 13.001 7.428 1.00 0.00 C ATOM 727 CD1 LEU A 48 100.124 12.150 8.083 1.00 0.00 C ATOM 728 CD2 LEU A 48 100.960 14.477 7.708 1.00 0.00 C ATOM 0 H LEU A 48 103.601 10.826 6.507 1.00 0.00 H new ATOM 0 HA LEU A 48 103.418 13.647 6.244 1.00 0.00 H new ATOM 0 HB2 LEU A 48 102.575 11.515 8.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 102.794 13.096 8.858 1.00 0.00 H new ATOM 0 HG LEU A 48 101.154 12.842 6.351 1.00 0.00 H new ATOM 0 HD11 LEU A 48 99.144 12.462 7.722 1.00 0.00 H new ATOM 0 HD12 LEU A 48 100.286 11.102 7.833 1.00 0.00 H new ATOM 0 HD13 LEU A 48 100.169 12.276 9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 48 99.968 14.757 7.353 1.00 0.00 H new ATOM 0 HD22 LEU A 48 101.027 14.659 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 48 101.712 15.073 7.191 1.00 0.00 H new ATOM 740 N ASN A 49 105.479 12.543 8.595 1.00 0.00 N ATOM 741 CA ASN A 49 106.647 12.906 9.388 1.00 0.00 C ATOM 742 C ASN A 49 106.374 14.151 10.227 1.00 0.00 C ATOM 743 O ASN A 49 106.586 15.276 9.774 1.00 0.00 O ATOM 744 CB ASN A 49 107.853 13.144 8.476 1.00 0.00 C ATOM 745 CG ASN A 49 109.113 12.484 9.001 1.00 0.00 C ATOM 746 OD1 ASN A 49 109.434 11.354 8.635 1.00 0.00 O ATOM 747 ND2 ASN A 49 109.834 13.189 9.864 1.00 0.00 N ATOM 0 H ASN A 49 105.115 11.609 8.784 1.00 0.00 H new ATOM 0 HA ASN A 49 106.867 12.079 10.063 1.00 0.00 H new ATOM 0 HB2 ASN A 49 107.633 12.760 7.480 1.00 0.00 H new ATOM 0 HB3 ASN A 49 108.023 14.216 8.375 1.00 0.00 H new ATOM 0 HD21 ASN A 49 110.692 12.797 10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 49 109.530 14.123 10.140 1.00 0.00 H new ATOM 754 N TYR A 50 105.903 13.940 11.451 1.00 0.00 N ATOM 755 CA TYR A 50 105.600 15.045 12.355 1.00 0.00 C ATOM 756 C TYR A 50 105.708 14.600 13.810 1.00 0.00 C ATOM 757 O TYR A 50 106.540 15.105 14.564 1.00 0.00 O ATOM 758 CB TYR A 50 104.198 15.589 12.077 1.00 0.00 C ATOM 759 CG TYR A 50 104.038 17.054 12.417 1.00 0.00 C ATOM 760 CD1 TYR A 50 104.661 18.035 11.657 1.00 0.00 C ATOM 761 CD2 TYR A 50 103.263 17.454 13.498 1.00 0.00 C ATOM 762 CE1 TYR A 50 104.517 19.375 11.965 1.00 0.00 C ATOM 763 CE2 TYR A 50 103.114 18.792 13.812 1.00 0.00 C ATOM 764 CZ TYR A 50 103.743 19.747 13.043 1.00 0.00 C ATOM 765 OH TYR A 50 103.596 21.080 13.352 1.00 0.00 O ATOM 0 H TYR A 50 105.723 13.015 11.841 1.00 0.00 H new ATOM 0 HA TYR A 50 106.329 15.836 12.181 1.00 0.00 H new ATOM 0 HB2 TYR A 50 103.963 15.442 11.023 1.00 0.00 H new ATOM 0 HB3 TYR A 50 103.473 15.011 12.649 1.00 0.00 H new ATOM 0 HD1 TYR A 50 105.268 17.746 10.812 1.00 0.00 H new ATOM 0 HD2 TYR A 50 102.769 16.708 14.103 1.00 0.00 H new ATOM 0 HE1 TYR A 50 105.008 20.126 11.364 1.00 0.00 H new ATOM 0 HE2 TYR A 50 102.508 19.087 14.656 1.00 0.00 H new ATOM 0 HH TYR A 50 103.019 21.172 14.139 1.00 0.00 H new ATOM 775 N ARG A 51 104.861 13.652 14.198 1.00 0.00 N ATOM 776 CA ARG A 51 104.862 13.138 15.563 1.00 0.00 C ATOM 777 C ARG A 51 104.599 11.636 15.577 1.00 0.00 C ATOM 778 O ARG A 51 104.183 11.059 14.572 1.00 0.00 O ATOM 779 CB ARG A 51 103.808 13.861 16.404 1.00 0.00 C ATOM 780 CG ARG A 51 104.173 13.965 17.876 1.00 0.00 C ATOM 781 CD ARG A 51 103.310 14.991 18.594 1.00 0.00 C ATOM 782 NE ARG A 51 102.961 14.563 19.946 1.00 0.00 N ATOM 783 CZ ARG A 51 103.817 14.554 20.966 1.00 0.00 C ATOM 784 NH1 ARG A 51 105.072 14.951 20.792 1.00 0.00 N ATOM 785 NH2 ARG A 51 103.417 14.146 22.162 1.00 0.00 N ATOM 0 H ARG A 51 104.165 13.224 13.587 1.00 0.00 H new ATOM 0 HA ARG A 51 105.847 13.321 15.994 1.00 0.00 H new ATOM 0 HB2 ARG A 51 103.660 14.864 16.003 1.00 0.00 H new ATOM 0 HB3 ARG A 51 102.857 13.336 16.310 1.00 0.00 H new ATOM 0 HG2 ARG A 51 104.053 12.991 18.351 1.00 0.00 H new ATOM 0 HG3 ARG A 51 105.223 14.240 17.973 1.00 0.00 H new ATOM 0 HD2 ARG A 51 103.841 15.942 18.641 1.00 0.00 H new ATOM 0 HD3 ARG A 51 102.398 15.162 18.021 1.00 0.00 H new ATOM 0 HE ARG A 51 102.005 14.253 20.119 1.00 0.00 H new ATOM 0 HH11 ARG A 51 105.385 15.265 19.873 1.00 0.00 H new ATOM 0 HH12 ARG A 51 105.723 14.942 21.577 1.00 0.00 H new ATOM 0 HH21 ARG A 51 102.454 13.839 22.301 1.00 0.00 H new ATOM 0 HH22 ARG A 51 104.072 14.139 22.944 1.00 0.00 H new ATOM 799 N LYS A 52 104.844 11.009 16.722 1.00 0.00 N ATOM 800 CA LYS A 52 104.635 9.573 16.866 1.00 0.00 C ATOM 801 C LYS A 52 103.253 9.275 17.441 1.00 0.00 C ATOM 802 O LYS A 52 102.696 8.200 17.216 1.00 0.00 O ATOM 803 CB LYS A 52 105.716 8.968 17.765 1.00 0.00 C ATOM 804 CG LYS A 52 105.672 9.475 19.197 1.00 0.00 C ATOM 805 CD LYS A 52 107.030 9.360 19.870 1.00 0.00 C ATOM 806 CE LYS A 52 107.365 7.916 20.205 1.00 0.00 C ATOM 807 NZ LYS A 52 108.830 7.656 20.144 1.00 0.00 N ATOM 0 H LYS A 52 105.187 11.472 17.564 1.00 0.00 H new ATOM 0 HA LYS A 52 104.699 9.122 15.876 1.00 0.00 H new ATOM 0 HB2 LYS A 52 105.608 7.883 17.769 1.00 0.00 H new ATOM 0 HB3 LYS A 52 106.695 9.189 17.340 1.00 0.00 H new ATOM 0 HG2 LYS A 52 105.347 10.515 19.206 1.00 0.00 H new ATOM 0 HG3 LYS A 52 104.935 8.906 19.763 1.00 0.00 H new ATOM 0 HD2 LYS A 52 107.798 9.770 19.214 1.00 0.00 H new ATOM 0 HD3 LYS A 52 107.037 9.957 20.782 1.00 0.00 H new ATOM 0 HE2 LYS A 52 106.996 7.680 21.203 1.00 0.00 H new ATOM 0 HE3 LYS A 52 106.850 7.253 19.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 109.016 6.660 20.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 109.178 7.856 19.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 109.320 8.270 20.826 1.00 0.00 H new ATOM 821 N SER A 53 102.704 10.231 18.184 1.00 0.00 N ATOM 822 CA SER A 53 101.387 10.067 18.789 1.00 0.00 C ATOM 823 C SER A 53 100.304 10.701 17.920 1.00 0.00 C ATOM 824 O SER A 53 99.167 10.230 17.887 1.00 0.00 O ATOM 825 CB SER A 53 101.364 10.689 20.186 1.00 0.00 C ATOM 826 OG SER A 53 100.499 9.974 21.050 1.00 0.00 O ATOM 0 H SER A 53 103.150 11.127 18.381 1.00 0.00 H new ATOM 0 HA SER A 53 101.183 8.999 18.870 1.00 0.00 H new ATOM 0 HB2 SER A 53 102.372 10.696 20.601 1.00 0.00 H new ATOM 0 HB3 SER A 53 101.039 11.727 20.119 1.00 0.00 H new ATOM 0 HG SER A 53 100.504 10.391 21.937 1.00 0.00 H new ATOM 832 N GLN A 54 100.665 11.770 17.219 1.00 0.00 N ATOM 833 CA GLN A 54 99.723 12.468 16.351 1.00 0.00 C ATOM 834 C GLN A 54 99.393 11.631 15.120 1.00 0.00 C ATOM 835 O GLN A 54 98.241 11.569 14.690 1.00 0.00 O ATOM 836 CB GLN A 54 100.296 13.820 15.923 1.00 0.00 C ATOM 837 CG GLN A 54 99.245 14.792 15.411 1.00 0.00 C ATOM 838 CD GLN A 54 99.289 14.959 13.905 1.00 0.00 C ATOM 839 OE1 GLN A 54 100.303 15.375 13.343 1.00 0.00 O ATOM 840 NE2 GLN A 54 98.185 14.635 13.241 1.00 0.00 N ATOM 0 H GLN A 54 101.602 12.172 17.235 1.00 0.00 H new ATOM 0 HA GLN A 54 98.804 12.632 16.914 1.00 0.00 H new ATOM 0 HB2 GLN A 54 100.813 14.270 16.770 1.00 0.00 H new ATOM 0 HB3 GLN A 54 101.041 13.659 15.143 1.00 0.00 H new ATOM 0 HG2 GLN A 54 98.256 14.440 15.705 1.00 0.00 H new ATOM 0 HG3 GLN A 54 99.392 15.763 15.885 1.00 0.00 H new ATOM 0 HE21 GLN A 54 97.367 14.294 13.747 1.00 0.00 H new ATOM 0 HE22 GLN A 54 98.155 14.727 12.226 1.00 0.00 H new ATOM 849 N ASP A 55 100.411 10.989 14.557 1.00 0.00 N ATOM 850 CA ASP A 55 100.229 10.155 13.374 1.00 0.00 C ATOM 851 C ASP A 55 99.231 9.034 13.646 1.00 0.00 C ATOM 852 O ASP A 55 98.522 8.588 12.743 1.00 0.00 O ATOM 853 CB ASP A 55 101.570 9.565 12.931 1.00 0.00 C ATOM 854 CG ASP A 55 102.240 10.396 11.855 1.00 0.00 C ATOM 855 OD1 ASP A 55 101.797 10.327 10.690 1.00 0.00 O ATOM 856 OD2 ASP A 55 103.209 11.115 12.178 1.00 0.00 O ATOM 0 H ASP A 55 101.371 11.030 14.901 1.00 0.00 H new ATOM 0 HA ASP A 55 99.833 10.782 12.575 1.00 0.00 H new ATOM 0 HB2 ASP A 55 102.233 9.489 13.793 1.00 0.00 H new ATOM 0 HB3 ASP A 55 101.413 8.552 12.559 1.00 0.00 H new ATOM 861 N ASP A 56 99.181 8.582 14.895 1.00 0.00 N ATOM 862 CA ASP A 56 98.269 7.513 15.286 1.00 0.00 C ATOM 863 C ASP A 56 96.819 7.917 15.037 1.00 0.00 C ATOM 864 O ASP A 56 96.051 7.169 14.432 1.00 0.00 O ATOM 865 CB ASP A 56 98.468 7.161 16.762 1.00 0.00 C ATOM 866 CG ASP A 56 99.339 5.935 16.951 1.00 0.00 C ATOM 867 OD1 ASP A 56 100.550 6.015 16.655 1.00 0.00 O ATOM 868 OD2 ASP A 56 98.810 4.895 17.397 1.00 0.00 O ATOM 0 H ASP A 56 99.761 8.939 15.654 1.00 0.00 H new ATOM 0 HA ASP A 56 98.492 6.637 14.677 1.00 0.00 H new ATOM 0 HB2 ASP A 56 98.921 8.008 17.277 1.00 0.00 H new ATOM 0 HB3 ASP A 56 97.497 6.988 17.226 1.00 0.00 H new ATOM 873 N GLU A 57 96.452 9.104 15.507 1.00 0.00 N ATOM 874 CA GLU A 57 95.094 9.607 15.338 1.00 0.00 C ATOM 875 C GLU A 57 95.042 10.678 14.252 1.00 0.00 C ATOM 876 O GLU A 57 96.022 10.905 13.543 1.00 0.00 O ATOM 877 CB GLU A 57 94.574 10.173 16.662 1.00 0.00 C ATOM 878 CG GLU A 57 95.396 11.338 17.189 1.00 0.00 C ATOM 879 CD GLU A 57 94.611 12.635 17.235 1.00 0.00 C ATOM 880 OE1 GLU A 57 93.644 12.716 18.022 1.00 0.00 O ATOM 881 OE2 GLU A 57 94.964 13.569 16.485 1.00 0.00 O ATOM 0 H GLU A 57 97.076 9.736 16.008 1.00 0.00 H new ATOM 0 HA GLU A 57 94.457 8.777 15.031 1.00 0.00 H new ATOM 0 HB2 GLU A 57 93.542 10.498 16.529 1.00 0.00 H new ATOM 0 HB3 GLU A 57 94.564 9.379 17.408 1.00 0.00 H new ATOM 0 HG2 GLU A 57 95.756 11.100 18.190 1.00 0.00 H new ATOM 0 HG3 GLU A 57 96.275 11.472 16.558 1.00 0.00 H new ATOM 888 N LYS A 58 93.890 11.334 14.127 1.00 0.00 N ATOM 889 CA LYS A 58 93.707 12.384 13.128 1.00 0.00 C ATOM 890 C LYS A 58 93.629 11.792 11.723 1.00 0.00 C ATOM 891 O LYS A 58 94.267 12.286 10.793 1.00 0.00 O ATOM 892 CB LYS A 58 94.845 13.405 13.205 1.00 0.00 C ATOM 893 CG LYS A 58 94.496 14.754 12.594 1.00 0.00 C ATOM 894 CD LYS A 58 94.896 15.903 13.506 1.00 0.00 C ATOM 895 CE LYS A 58 95.520 17.046 12.723 1.00 0.00 C ATOM 896 NZ LYS A 58 95.993 18.139 13.617 1.00 0.00 N ATOM 0 H LYS A 58 93.069 11.157 14.706 1.00 0.00 H new ATOM 0 HA LYS A 58 92.766 12.890 13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 58 95.122 13.549 14.249 1.00 0.00 H new ATOM 0 HB3 LYS A 58 95.720 13.000 12.696 1.00 0.00 H new ATOM 0 HG2 LYS A 58 94.999 14.860 11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 58 93.424 14.799 12.399 1.00 0.00 H new ATOM 0 HD2 LYS A 58 94.019 16.265 14.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 95.603 15.545 14.255 1.00 0.00 H new ATOM 0 HE2 LYS A 58 96.358 16.669 12.136 1.00 0.00 H new ATOM 0 HE3 LYS A 58 94.790 17.444 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 96.412 18.899 13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 95.190 18.516 14.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 96.708 17.766 14.273 1.00 0.00 H new ATOM 910 N LEU A 59 92.842 10.730 11.577 1.00 0.00 N ATOM 911 CA LEU A 59 92.677 10.072 10.286 1.00 0.00 C ATOM 912 C LEU A 59 91.242 9.583 10.106 1.00 0.00 C ATOM 913 O LEU A 59 90.442 9.618 11.040 1.00 0.00 O ATOM 914 CB LEU A 59 93.652 8.898 10.158 1.00 0.00 C ATOM 915 CG LEU A 59 94.500 8.900 8.882 1.00 0.00 C ATOM 916 CD1 LEU A 59 95.917 9.365 9.182 1.00 0.00 C ATOM 917 CD2 LEU A 59 94.516 7.517 8.248 1.00 0.00 C ATOM 0 H LEU A 59 92.309 10.307 12.337 1.00 0.00 H new ATOM 0 HA LEU A 59 92.895 10.799 9.504 1.00 0.00 H new ATOM 0 HB2 LEU A 59 94.319 8.903 11.020 1.00 0.00 H new ATOM 0 HB3 LEU A 59 93.085 7.968 10.199 1.00 0.00 H new ATOM 0 HG LEU A 59 94.052 9.598 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 59 96.504 9.360 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 59 95.890 10.376 9.589 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.374 8.693 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 59 95.123 7.539 7.343 1.00 0.00 H new ATOM 0 HD22 LEU A 59 94.938 6.799 8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 59 93.498 7.221 7.995 1.00 0.00 H new ATOM 929 N SER A 60 90.925 9.129 8.898 1.00 0.00 N ATOM 930 CA SER A 60 89.587 8.634 8.594 1.00 0.00 C ATOM 931 C SER A 60 88.543 9.727 8.800 1.00 0.00 C ATOM 932 O SER A 60 88.060 9.937 9.913 1.00 0.00 O ATOM 933 CB SER A 60 89.256 7.424 9.470 1.00 0.00 C ATOM 934 OG SER A 60 88.532 6.449 8.740 1.00 0.00 O ATOM 0 H SER A 60 91.576 9.094 8.114 1.00 0.00 H new ATOM 0 HA SER A 60 89.568 8.331 7.547 1.00 0.00 H new ATOM 0 HB2 SER A 60 90.177 6.986 9.853 1.00 0.00 H new ATOM 0 HB3 SER A 60 88.672 7.745 10.333 1.00 0.00 H new ATOM 0 HG SER A 60 88.334 5.685 9.321 1.00 0.00 H new ATOM 940 N THR A 61 88.199 10.421 7.720 1.00 0.00 N ATOM 941 CA THR A 61 87.213 11.493 7.782 1.00 0.00 C ATOM 942 C THR A 61 86.287 11.460 6.571 1.00 0.00 C ATOM 943 O THR A 61 85.068 11.570 6.706 1.00 0.00 O ATOM 944 CB THR A 61 87.889 12.875 7.857 1.00 0.00 C ATOM 945 OG1 THR A 61 88.903 12.872 8.869 1.00 0.00 O ATOM 946 CG2 THR A 61 86.867 13.960 8.161 1.00 0.00 C ATOM 0 H THR A 61 88.589 10.260 6.791 1.00 0.00 H new ATOM 0 HA THR A 61 86.629 11.332 8.688 1.00 0.00 H new ATOM 0 HB THR A 61 88.344 13.085 6.889 1.00 0.00 H new ATOM 0 HG1 THR A 61 89.328 13.754 8.909 1.00 0.00 H new ATOM 0 HG21 THR A 61 87.367 14.927 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 61 86.113 13.980 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 61 86.388 13.751 9.118 1.00 0.00 H new ATOM 954 N LEU A 62 86.873 11.310 5.387 1.00 0.00 N ATOM 955 CA LEU A 62 86.100 11.263 4.151 1.00 0.00 C ATOM 956 C LEU A 62 85.618 9.843 3.862 1.00 0.00 C ATOM 957 O LEU A 62 85.879 9.292 2.792 1.00 0.00 O ATOM 958 CB LEU A 62 86.941 11.786 2.983 1.00 0.00 C ATOM 959 CG LEU A 62 86.205 12.720 2.021 1.00 0.00 C ATOM 960 CD1 LEU A 62 87.110 13.115 0.863 1.00 0.00 C ATOM 961 CD2 LEU A 62 84.934 12.060 1.506 1.00 0.00 C ATOM 0 H LEU A 62 87.881 11.219 5.258 1.00 0.00 H new ATOM 0 HA LEU A 62 85.224 11.901 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 62 87.806 12.313 3.386 1.00 0.00 H new ATOM 0 HB3 LEU A 62 87.321 10.934 2.419 1.00 0.00 H new ATOM 0 HG LEU A 62 85.928 13.624 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 62 86.569 13.780 0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 62 87.991 13.628 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 62 87.418 12.221 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 62 84.423 12.738 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 62 85.189 11.140 0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 62 84.278 11.828 2.345 1.00 0.00 H new ATOM 973 N SER A 63 84.911 9.257 4.822 1.00 0.00 N ATOM 974 CA SER A 63 84.392 7.902 4.672 1.00 0.00 C ATOM 975 C SER A 63 83.079 7.901 3.894 1.00 0.00 C ATOM 976 O SER A 63 82.718 6.904 3.269 1.00 0.00 O ATOM 977 CB SER A 63 84.187 7.257 6.043 1.00 0.00 C ATOM 978 OG SER A 63 84.014 5.855 5.927 1.00 0.00 O ATOM 0 H SER A 63 84.684 9.699 5.713 1.00 0.00 H new ATOM 0 HA SER A 63 85.124 7.322 4.111 1.00 0.00 H new ATOM 0 HB2 SER A 63 85.046 7.469 6.680 1.00 0.00 H new ATOM 0 HB3 SER A 63 83.315 7.695 6.528 1.00 0.00 H new ATOM 0 HG SER A 63 83.886 5.466 6.818 1.00 0.00 H new ATOM 984 N HIS A 64 82.367 9.024 3.937 1.00 0.00 N ATOM 985 CA HIS A 64 81.093 9.150 3.235 1.00 0.00 C ATOM 986 C HIS A 64 80.059 8.188 3.810 1.00 0.00 C ATOM 987 O HIS A 64 80.265 6.975 3.825 1.00 0.00 O ATOM 988 CB HIS A 64 81.280 8.883 1.739 1.00 0.00 C ATOM 989 CG HIS A 64 80.121 9.325 0.902 1.00 0.00 C ATOM 990 ND1 HIS A 64 80.264 10.087 -0.239 1.00 0.00 N ATOM 991 CD2 HIS A 64 78.791 9.108 1.042 1.00 0.00 C ATOM 992 CE1 HIS A 64 79.073 10.320 -0.763 1.00 0.00 C ATOM 993 NE2 HIS A 64 78.164 9.736 -0.005 1.00 0.00 N ATOM 0 H HIS A 64 82.650 9.859 4.450 1.00 0.00 H new ATOM 0 HA HIS A 64 80.731 10.169 3.371 1.00 0.00 H new ATOM 0 HB2 HIS A 64 82.180 9.394 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 64 81.442 7.816 1.586 1.00 0.00 H new ATOM 0 HD2 HIS A 64 78.313 8.546 1.831 1.00 0.00 H new ATOM 0 HE1 HIS A 64 78.877 10.891 -1.659 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.158 9.749 -0.171 1.00 0.00 H new ATOM 1001 N SER A 65 78.945 8.738 4.282 1.00 0.00 N ATOM 1002 CA SER A 65 77.877 7.929 4.859 1.00 0.00 C ATOM 1003 C SER A 65 76.736 7.742 3.864 1.00 0.00 C ATOM 1004 O SER A 65 76.445 8.630 3.064 1.00 0.00 O ATOM 1005 CB SER A 65 77.351 8.581 6.139 1.00 0.00 C ATOM 1006 OG SER A 65 76.343 7.787 6.739 1.00 0.00 O ATOM 0 H SER A 65 78.758 9.741 4.276 1.00 0.00 H new ATOM 0 HA SER A 65 78.288 6.949 5.100 1.00 0.00 H new ATOM 0 HB2 SER A 65 78.172 8.724 6.842 1.00 0.00 H new ATOM 0 HB3 SER A 65 76.952 9.569 5.910 1.00 0.00 H new ATOM 0 HG SER A 65 76.025 8.225 7.556 1.00 0.00 H new ATOM 1012 N TRP A 66 76.094 6.579 3.921 1.00 0.00 N ATOM 1013 CA TRP A 66 74.984 6.275 3.025 1.00 0.00 C ATOM 1014 C TRP A 66 73.941 5.410 3.726 1.00 0.00 C ATOM 1015 O TRP A 66 74.135 4.984 4.864 1.00 0.00 O ATOM 1016 CB TRP A 66 75.494 5.563 1.771 1.00 0.00 C ATOM 1017 CG TRP A 66 74.658 5.827 0.556 1.00 0.00 C ATOM 1018 CD1 TRP A 66 73.927 4.915 -0.150 1.00 0.00 C ATOM 1019 CD2 TRP A 66 74.469 7.087 -0.098 1.00 0.00 C ATOM 1020 NE1 TRP A 66 73.294 5.531 -1.202 1.00 0.00 N ATOM 1021 CE2 TRP A 66 73.611 6.865 -1.192 1.00 0.00 C ATOM 1022 CE3 TRP A 66 74.940 8.383 0.135 1.00 0.00 C ATOM 1023 CZ2 TRP A 66 73.216 7.889 -2.049 1.00 0.00 C ATOM 1024 CZ3 TRP A 66 74.547 9.398 -0.716 1.00 0.00 C ATOM 1025 CH2 TRP A 66 73.692 9.146 -1.796 1.00 0.00 C ATOM 0 H TRP A 66 76.323 5.833 4.577 1.00 0.00 H new ATOM 0 HA TRP A 66 74.515 7.215 2.735 1.00 0.00 H new ATOM 0 HB2 TRP A 66 76.518 5.879 1.574 1.00 0.00 H new ATOM 0 HB3 TRP A 66 75.522 4.489 1.958 1.00 0.00 H new ATOM 0 HD1 TRP A 66 73.857 3.863 0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 66 72.687 5.071 -1.880 1.00 0.00 H new ATOM 0 HE3 TRP A 66 75.599 8.587 0.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 72.558 7.698 -2.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 74.905 10.402 -0.545 1.00 0.00 H new ATOM 0 HH2 TRP A 66 73.402 9.961 -2.443 1.00 0.00 H new ATOM 1036 N SER A 67 72.834 5.153 3.036 1.00 0.00 N ATOM 1037 CA SER A 67 71.759 4.338 3.592 1.00 0.00 C ATOM 1038 C SER A 67 72.146 2.863 3.609 1.00 0.00 C ATOM 1039 O SER A 67 72.170 2.229 4.664 1.00 0.00 O ATOM 1040 CB SER A 67 70.475 4.531 2.783 1.00 0.00 C ATOM 1041 OG SER A 67 70.488 5.768 2.092 1.00 0.00 O ATOM 0 H SER A 67 72.658 5.497 2.092 1.00 0.00 H new ATOM 0 HA SER A 67 71.586 4.661 4.619 1.00 0.00 H new ATOM 0 HB2 SER A 67 70.365 3.714 2.070 1.00 0.00 H new ATOM 0 HB3 SER A 67 69.613 4.492 3.449 1.00 0.00 H new ATOM 0 HG SER A 67 69.657 5.866 1.581 1.00 0.00 H new ATOM 1047 N GLN A 68 72.447 2.322 2.433 1.00 0.00 N ATOM 1048 CA GLN A 68 72.833 0.921 2.313 1.00 0.00 C ATOM 1049 C GLN A 68 74.302 0.728 2.677 1.00 0.00 C ATOM 1050 O GLN A 68 75.127 0.402 1.824 1.00 0.00 O ATOM 1051 CB GLN A 68 72.575 0.419 0.891 1.00 0.00 C ATOM 1052 CG GLN A 68 72.300 -1.074 0.814 1.00 0.00 C ATOM 1053 CD GLN A 68 72.067 -1.551 -0.606 1.00 0.00 C ATOM 1054 OE1 GLN A 68 72.524 -0.929 -1.565 1.00 0.00 O ATOM 1055 NE2 GLN A 68 71.352 -2.661 -0.748 1.00 0.00 N ATOM 0 H GLN A 68 72.431 2.832 1.550 1.00 0.00 H new ATOM 0 HA GLN A 68 72.227 0.342 3.010 1.00 0.00 H new ATOM 0 HB2 GLN A 68 71.725 0.959 0.473 1.00 0.00 H new ATOM 0 HB3 GLN A 68 73.439 0.653 0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 68 73.142 -1.617 1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 68 71.426 -1.311 1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 68 70.992 -3.145 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 68 71.162 -3.030 -1.680 1.00 0.00 H new ATOM 1064 N VAL A 69 74.622 0.934 3.951 1.00 0.00 N ATOM 1065 CA VAL A 69 75.991 0.783 4.429 1.00 0.00 C ATOM 1066 C VAL A 69 76.397 -0.687 4.487 1.00 0.00 C ATOM 1067 O VAL A 69 77.573 -1.022 4.351 1.00 0.00 O ATOM 1068 CB VAL A 69 76.172 1.411 5.824 1.00 0.00 C ATOM 1069 CG1 VAL A 69 75.899 2.907 5.776 1.00 0.00 C ATOM 1070 CG2 VAL A 69 75.269 0.730 6.843 1.00 0.00 C ATOM 0 H VAL A 69 73.952 1.206 4.670 1.00 0.00 H new ATOM 0 HA VAL A 69 76.632 1.305 3.718 1.00 0.00 H new ATOM 0 HB VAL A 69 77.206 1.262 6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 69 76.032 3.333 6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 69 76.593 3.381 5.082 1.00 0.00 H new ATOM 0 HG13 VAL A 69 74.876 3.080 5.441 1.00 0.00 H new ATOM 0 HG21 VAL A 69 75.413 1.189 7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 69 74.228 0.842 6.539 1.00 0.00 H new ATOM 0 HG23 VAL A 69 75.518 -0.330 6.899 1.00 0.00 H new ATOM 1080 N VAL A 70 75.415 -1.560 4.690 1.00 0.00 N ATOM 1081 CA VAL A 70 75.670 -2.993 4.766 1.00 0.00 C ATOM 1082 C VAL A 70 76.334 -3.505 3.490 1.00 0.00 C ATOM 1083 O VAL A 70 77.079 -4.484 3.517 1.00 0.00 O ATOM 1084 CB VAL A 70 74.368 -3.783 5.012 1.00 0.00 C ATOM 1085 CG1 VAL A 70 73.399 -3.596 3.854 1.00 0.00 C ATOM 1086 CG2 VAL A 70 74.670 -5.257 5.232 1.00 0.00 C ATOM 0 H VAL A 70 74.436 -1.299 4.805 1.00 0.00 H new ATOM 0 HA VAL A 70 76.345 -3.150 5.608 1.00 0.00 H new ATOM 0 HB VAL A 70 73.896 -3.394 5.914 1.00 0.00 H new ATOM 0 HG11 VAL A 70 72.487 -4.161 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 70 73.155 -2.539 3.751 1.00 0.00 H new ATOM 0 HG13 VAL A 70 73.859 -3.954 2.933 1.00 0.00 H new ATOM 0 HG21 VAL A 70 73.739 -5.797 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.167 -5.662 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 70 75.320 -5.370 6.099 1.00 0.00 H new ATOM 1096 N ASP A 71 76.058 -2.835 2.375 1.00 0.00 N ATOM 1097 CA ASP A 71 76.629 -3.223 1.090 1.00 0.00 C ATOM 1098 C ASP A 71 78.130 -2.954 1.055 1.00 0.00 C ATOM 1099 O ASP A 71 78.879 -3.649 0.368 1.00 0.00 O ATOM 1100 CB ASP A 71 75.937 -2.469 -0.047 1.00 0.00 C ATOM 1101 CG ASP A 71 76.206 -3.093 -1.402 1.00 0.00 C ATOM 1102 OD1 ASP A 71 75.579 -4.126 -1.715 1.00 0.00 O ATOM 1103 OD2 ASP A 71 77.045 -2.548 -2.150 1.00 0.00 O ATOM 0 H ASP A 71 75.443 -2.022 2.336 1.00 0.00 H new ATOM 0 HA ASP A 71 76.469 -4.293 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 71 74.862 -2.450 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 71 76.278 -1.434 -0.053 1.00 0.00 H new ATOM 1108 N VAL A 72 78.565 -1.942 1.800 1.00 0.00 N ATOM 1109 CA VAL A 72 79.977 -1.583 1.852 1.00 0.00 C ATOM 1110 C VAL A 72 80.763 -2.568 2.711 1.00 0.00 C ATOM 1111 O VAL A 72 81.860 -2.989 2.344 1.00 0.00 O ATOM 1112 CB VAL A 72 80.177 -0.162 2.410 1.00 0.00 C ATOM 1113 CG1 VAL A 72 81.632 0.263 2.286 1.00 0.00 C ATOM 1114 CG2 VAL A 72 79.264 0.825 1.699 1.00 0.00 C ATOM 0 H VAL A 72 77.960 -1.357 2.376 1.00 0.00 H new ATOM 0 HA VAL A 72 80.349 -1.618 0.828 1.00 0.00 H new ATOM 0 HB VAL A 72 79.914 -0.168 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 72 81.752 1.270 2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 72 82.262 -0.428 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 72 81.926 0.252 1.236 1.00 0.00 H new ATOM 0 HG21 VAL A 72 79.420 1.824 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 72 79.492 0.829 0.633 1.00 0.00 H new ATOM 0 HG23 VAL A 72 78.225 0.531 1.847 1.00 0.00 H new ATOM 1124 N SER A 73 80.194 -2.931 3.856 1.00 0.00 N ATOM 1125 CA SER A 73 80.841 -3.866 4.769 1.00 0.00 C ATOM 1126 C SER A 73 81.124 -5.198 4.080 1.00 0.00 C ATOM 1127 O SER A 73 82.059 -5.910 4.446 1.00 0.00 O ATOM 1128 CB SER A 73 79.967 -4.091 6.004 1.00 0.00 C ATOM 1129 OG SER A 73 80.284 -3.166 7.030 1.00 0.00 O ATOM 0 H SER A 73 79.286 -2.592 4.174 1.00 0.00 H new ATOM 0 HA SER A 73 81.792 -3.432 5.079 1.00 0.00 H new ATOM 0 HB2 SER A 73 78.916 -3.991 5.732 1.00 0.00 H new ATOM 0 HB3 SER A 73 80.106 -5.108 6.371 1.00 0.00 H new ATOM 0 HG SER A 73 79.710 -3.330 7.807 1.00 0.00 H new ATOM 1135 N GLU A 74 80.310 -5.529 3.082 1.00 0.00 N ATOM 1136 CA GLU A 74 80.475 -6.777 2.344 1.00 0.00 C ATOM 1137 C GLU A 74 81.853 -6.850 1.693 1.00 0.00 C ATOM 1138 O GLU A 74 82.420 -7.931 1.538 1.00 0.00 O ATOM 1139 CB GLU A 74 79.386 -6.910 1.277 1.00 0.00 C ATOM 1140 CG GLU A 74 78.018 -7.251 1.844 1.00 0.00 C ATOM 1141 CD GLU A 74 76.884 -6.761 0.964 1.00 0.00 C ATOM 1142 OE1 GLU A 74 77.054 -6.753 -0.273 1.00 0.00 O ATOM 1143 OE2 GLU A 74 75.827 -6.385 1.513 1.00 0.00 O ATOM 0 H GLU A 74 79.531 -4.952 2.766 1.00 0.00 H new ATOM 0 HA GLU A 74 80.385 -7.601 3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 74 79.317 -5.975 0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 74 79.678 -7.682 0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 74 77.938 -8.331 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 74 77.920 -6.810 2.836 1.00 0.00 H new ATOM 1150 N VAL A 75 82.387 -5.692 1.314 1.00 0.00 N ATOM 1151 CA VAL A 75 83.699 -5.627 0.681 1.00 0.00 C ATOM 1152 C VAL A 75 84.788 -6.132 1.621 1.00 0.00 C ATOM 1153 O VAL A 75 85.629 -6.942 1.234 1.00 0.00 O ATOM 1154 CB VAL A 75 84.044 -4.189 0.245 1.00 0.00 C ATOM 1155 CG1 VAL A 75 85.341 -4.166 -0.551 1.00 0.00 C ATOM 1156 CG2 VAL A 75 82.905 -3.584 -0.563 1.00 0.00 C ATOM 0 H VAL A 75 81.931 -4.787 1.434 1.00 0.00 H new ATOM 0 HA VAL A 75 83.655 -6.266 -0.201 1.00 0.00 H new ATOM 0 HB VAL A 75 84.183 -3.585 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 75 85.567 -3.142 -0.849 1.00 0.00 H new ATOM 0 HG12 VAL A 75 86.153 -4.552 0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 75 85.233 -4.788 -1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 75 83.169 -2.569 -0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 75 82.729 -4.189 -1.453 1.00 0.00 H new ATOM 0 HG23 VAL A 75 82.000 -3.560 0.045 1.00 0.00 H new ATOM 1166 N LEU A 76 84.765 -5.647 2.858 1.00 0.00 N ATOM 1167 CA LEU A 76 85.752 -6.046 3.854 1.00 0.00 C ATOM 1168 C LEU A 76 85.460 -7.447 4.384 1.00 0.00 C ATOM 1169 O LEU A 76 86.370 -8.259 4.551 1.00 0.00 O ATOM 1170 CB LEU A 76 85.771 -5.042 5.009 1.00 0.00 C ATOM 1171 CG LEU A 76 87.153 -4.763 5.605 1.00 0.00 C ATOM 1172 CD1 LEU A 76 87.672 -5.987 6.344 1.00 0.00 C ATOM 1173 CD2 LEU A 76 88.130 -4.336 4.517 1.00 0.00 C ATOM 0 H LEU A 76 84.073 -4.977 3.195 1.00 0.00 H new ATOM 0 HA LEU A 76 86.731 -6.059 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 76 85.347 -4.101 4.659 1.00 0.00 H new ATOM 0 HB3 LEU A 76 85.119 -5.410 5.801 1.00 0.00 H new ATOM 0 HG LEU A 76 87.061 -3.945 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 76 88.655 -5.770 6.761 1.00 0.00 H new ATOM 0 HD12 LEU A 76 86.985 -6.244 7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 76 87.748 -6.825 5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.107 -4.142 4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 76 88.219 -5.130 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 76 87.764 -3.429 4.035 1.00 0.00 H new ATOM 1185 N ARG A 77 84.185 -7.727 4.643 1.00 0.00 N ATOM 1186 CA ARG A 77 83.775 -9.034 5.154 1.00 0.00 C ATOM 1187 C ARG A 77 84.395 -10.160 4.332 1.00 0.00 C ATOM 1188 O ARG A 77 84.942 -11.116 4.881 1.00 0.00 O ATOM 1189 CB ARG A 77 82.250 -9.156 5.137 1.00 0.00 C ATOM 1190 CG ARG A 77 81.688 -9.914 6.329 1.00 0.00 C ATOM 1191 CD ARG A 77 80.174 -9.793 6.402 1.00 0.00 C ATOM 1192 NE ARG A 77 79.505 -10.719 5.492 1.00 0.00 N ATOM 1193 CZ ARG A 77 79.396 -12.028 5.712 1.00 0.00 C ATOM 1194 NH1 ARG A 77 79.918 -12.569 6.806 1.00 0.00 N ATOM 1195 NH2 ARG A 77 78.766 -12.797 4.836 1.00 0.00 N ATOM 0 H ARG A 77 83.418 -7.068 4.508 1.00 0.00 H new ATOM 0 HA ARG A 77 84.129 -9.121 6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 77 81.814 -8.157 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 77 81.944 -9.659 4.220 1.00 0.00 H new ATOM 0 HG2 ARG A 77 81.967 -10.965 6.258 1.00 0.00 H new ATOM 0 HG3 ARG A 77 82.130 -9.529 7.248 1.00 0.00 H new ATOM 0 HD2 ARG A 77 79.844 -9.986 7.423 1.00 0.00 H new ATOM 0 HD3 ARG A 77 79.880 -8.772 6.160 1.00 0.00 H new ATOM 0 HE ARG A 77 79.097 -10.341 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 77 80.405 -11.982 7.483 1.00 0.00 H new ATOM 0 HH12 ARG A 77 79.832 -13.572 6.970 1.00 0.00 H new ATOM 0 HH21 ARG A 77 78.364 -12.386 3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 77 78.683 -13.800 5.005 1.00 0.00 H new ATOM 1209 N ASP A 78 84.304 -10.037 3.012 1.00 0.00 N ATOM 1210 CA ASP A 78 84.860 -11.037 2.110 1.00 0.00 C ATOM 1211 C ASP A 78 86.149 -10.528 1.475 1.00 0.00 C ATOM 1212 O ASP A 78 86.313 -9.327 1.263 1.00 0.00 O ATOM 1213 CB ASP A 78 83.845 -11.395 1.022 1.00 0.00 C ATOM 1214 CG ASP A 78 83.063 -12.652 1.352 1.00 0.00 C ATOM 1215 OD1 ASP A 78 82.632 -12.795 2.515 1.00 0.00 O ATOM 1216 OD2 ASP A 78 82.883 -13.493 0.446 1.00 0.00 O ATOM 0 H ASP A 78 83.850 -9.253 2.543 1.00 0.00 H new ATOM 0 HA ASP A 78 85.087 -11.932 2.689 1.00 0.00 H new ATOM 0 HB2 ASP A 78 83.152 -10.564 0.888 1.00 0.00 H new ATOM 0 HB3 ASP A 78 84.366 -11.532 0.074 1.00 0.00 H new ATOM 1221 N GLY A 79 87.061 -11.446 1.175 1.00 0.00 N ATOM 1222 CA GLY A 79 88.323 -11.064 0.568 1.00 0.00 C ATOM 1223 C GLY A 79 88.159 -10.581 -0.860 1.00 0.00 C ATOM 1224 O GLY A 79 88.637 -11.220 -1.797 1.00 0.00 O ATOM 0 H GLY A 79 86.950 -12.446 1.341 1.00 0.00 H new ATOM 0 HA2 GLY A 79 88.785 -10.277 1.163 1.00 0.00 H new ATOM 0 HA3 GLY A 79 89.003 -11.916 0.584 1.00 0.00 H new ATOM 1228 N THR A 80 87.481 -9.449 -1.025 1.00 0.00 N ATOM 1229 CA THR A 80 87.255 -8.880 -2.348 1.00 0.00 C ATOM 1230 C THR A 80 87.824 -7.465 -2.441 1.00 0.00 C ATOM 1231 O THR A 80 87.712 -6.683 -1.497 1.00 0.00 O ATOM 1232 CB THR A 80 85.755 -8.840 -2.696 1.00 0.00 C ATOM 1233 OG1 THR A 80 85.562 -8.202 -3.964 1.00 0.00 O ATOM 1234 CG2 THR A 80 84.969 -8.095 -1.627 1.00 0.00 C ATOM 0 H THR A 80 87.079 -8.909 -0.259 1.00 0.00 H new ATOM 0 HA THR A 80 87.768 -9.525 -3.061 1.00 0.00 H new ATOM 0 HB THR A 80 85.391 -9.866 -2.745 1.00 0.00 H new ATOM 0 HG1 THR A 80 84.606 -8.182 -4.178 1.00 0.00 H new ATOM 0 HG21 THR A 80 83.913 -8.081 -1.896 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.093 -8.598 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 80 85.338 -7.072 -1.551 1.00 0.00 H new ATOM 1242 N PRO A 81 88.443 -7.116 -3.584 1.00 0.00 N ATOM 1243 CA PRO A 81 89.029 -5.787 -3.787 1.00 0.00 C ATOM 1244 C PRO A 81 88.018 -4.665 -3.573 1.00 0.00 C ATOM 1245 O PRO A 81 86.915 -4.894 -3.076 1.00 0.00 O ATOM 1246 CB PRO A 81 89.497 -5.814 -5.245 1.00 0.00 C ATOM 1247 CG PRO A 81 89.665 -7.258 -5.566 1.00 0.00 C ATOM 1248 CD PRO A 81 88.623 -7.983 -4.763 1.00 0.00 C ATOM 0 HA PRO A 81 89.830 -5.588 -3.075 1.00 0.00 H new ATOM 0 HB2 PRO A 81 88.766 -5.345 -5.904 1.00 0.00 H new ATOM 0 HB3 PRO A 81 90.433 -5.270 -5.370 1.00 0.00 H new ATOM 0 HG2 PRO A 81 89.532 -7.439 -6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 81 90.666 -7.602 -5.307 1.00 0.00 H new ATOM 0 HD2 PRO A 81 87.694 -8.101 -5.321 1.00 0.00 H new ATOM 0 HD3 PRO A 81 88.955 -8.982 -4.481 1.00 0.00 H new ATOM 1256 N ARG A 82 88.404 -3.451 -3.953 1.00 0.00 N ATOM 1257 CA ARG A 82 87.539 -2.287 -3.799 1.00 0.00 C ATOM 1258 C ARG A 82 87.822 -1.247 -4.879 1.00 0.00 C ATOM 1259 O ARG A 82 88.938 -1.158 -5.392 1.00 0.00 O ATOM 1260 CB ARG A 82 87.715 -1.667 -2.411 1.00 0.00 C ATOM 1261 CG ARG A 82 86.693 -0.586 -2.089 1.00 0.00 C ATOM 1262 CD ARG A 82 85.266 -1.088 -2.258 1.00 0.00 C ATOM 1263 NE ARG A 82 84.289 -0.007 -2.145 1.00 0.00 N ATOM 1264 CZ ARG A 82 83.055 -0.068 -2.640 1.00 0.00 C ATOM 1265 NH1 ARG A 82 82.639 -1.157 -3.276 1.00 0.00 N ATOM 1266 NH2 ARG A 82 82.232 0.962 -2.497 1.00 0.00 N ATOM 0 H ARG A 82 89.312 -3.248 -4.371 1.00 0.00 H new ATOM 0 HA ARG A 82 86.507 -2.620 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 82 87.647 -2.454 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 82 88.716 -1.242 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 82 86.838 -0.242 -1.065 1.00 0.00 H new ATOM 0 HG3 ARG A 82 86.855 0.273 -2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 82 85.164 -1.569 -3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 82 85.057 -1.846 -1.504 1.00 0.00 H new ATOM 0 HE ARG A 82 84.569 0.844 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 82 83.266 -1.953 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 82 81.692 -1.197 -3.653 1.00 0.00 H new ATOM 0 HH21 ARG A 82 82.545 1.801 -2.008 1.00 0.00 H new ATOM 0 HH22 ARG A 82 81.286 0.916 -2.876 1.00 0.00 H new ATOM 1280 N ARG A 83 86.804 -0.463 -5.219 1.00 0.00 N ATOM 1281 CA ARG A 83 86.939 0.569 -6.242 1.00 0.00 C ATOM 1282 C ARG A 83 87.186 1.929 -5.597 1.00 0.00 C ATOM 1283 O ARG A 83 86.745 2.185 -4.477 1.00 0.00 O ATOM 1284 CB ARG A 83 85.681 0.624 -7.111 1.00 0.00 C ATOM 1285 CG ARG A 83 85.580 -0.517 -8.110 1.00 0.00 C ATOM 1286 CD ARG A 83 84.801 -1.693 -7.541 1.00 0.00 C ATOM 1287 NE ARG A 83 85.661 -2.845 -7.281 1.00 0.00 N ATOM 1288 CZ ARG A 83 85.325 -3.855 -6.480 1.00 0.00 C ATOM 1289 NH1 ARG A 83 84.152 -3.857 -5.859 1.00 0.00 N ATOM 1290 NH2 ARG A 83 86.164 -4.865 -6.301 1.00 0.00 N ATOM 0 H ARG A 83 85.876 -0.522 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 83 87.793 0.319 -6.872 1.00 0.00 H new ATOM 0 HB2 ARG A 83 84.803 0.609 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 83 85.664 1.571 -7.651 1.00 0.00 H new ATOM 0 HG2 ARG A 83 85.093 -0.163 -9.019 1.00 0.00 H new ATOM 0 HG3 ARG A 83 86.581 -0.845 -8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 83 84.312 -1.390 -6.615 1.00 0.00 H new ATOM 0 HD3 ARG A 83 84.014 -1.978 -8.239 1.00 0.00 H new ATOM 0 HE ARG A 83 86.572 -2.878 -7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 83 83.502 -3.082 -5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 83 83.900 -4.633 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 83 87.066 -4.869 -6.776 1.00 0.00 H new ATOM 0 HH22 ARG A 83 85.907 -5.639 -5.688 1.00 0.00 H new ATOM 1304 N ASP A 84 87.894 2.798 -6.312 1.00 0.00 N ATOM 1305 CA ASP A 84 88.221 4.123 -5.793 1.00 0.00 C ATOM 1306 C ASP A 84 87.280 5.195 -6.329 1.00 0.00 C ATOM 1307 O ASP A 84 86.745 5.086 -7.433 1.00 0.00 O ATOM 1308 CB ASP A 84 89.667 4.501 -6.117 1.00 0.00 C ATOM 1309 CG ASP A 84 90.120 4.000 -7.476 1.00 0.00 C ATOM 1310 OD1 ASP A 84 90.369 2.783 -7.607 1.00 0.00 O ATOM 1311 OD2 ASP A 84 90.227 4.825 -8.407 1.00 0.00 O ATOM 0 H ASP A 84 88.251 2.610 -7.249 1.00 0.00 H new ATOM 0 HA ASP A 84 88.099 4.072 -4.711 1.00 0.00 H new ATOM 0 HB2 ASP A 84 89.770 5.586 -6.083 1.00 0.00 H new ATOM 0 HB3 ASP A 84 90.324 4.094 -5.348 1.00 0.00 H new ATOM 1316 N GLU A 85 87.094 6.230 -5.521 1.00 0.00 N ATOM 1317 CA GLU A 85 86.216 7.345 -5.860 1.00 0.00 C ATOM 1318 C GLU A 85 87.013 8.632 -6.058 1.00 0.00 C ATOM 1319 O GLU A 85 88.068 8.821 -5.453 1.00 0.00 O ATOM 1320 CB GLU A 85 85.181 7.547 -4.752 1.00 0.00 C ATOM 1321 CG GLU A 85 85.737 7.320 -3.352 1.00 0.00 C ATOM 1322 CD GLU A 85 85.515 8.507 -2.435 1.00 0.00 C ATOM 1323 OE1 GLU A 85 84.355 8.740 -2.035 1.00 0.00 O ATOM 1324 OE2 GLU A 85 86.501 9.205 -2.117 1.00 0.00 O ATOM 0 H GLU A 85 87.547 6.322 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 85 85.710 7.106 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 85 84.784 8.560 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 85 84.346 6.866 -4.917 1.00 0.00 H new ATOM 0 HG2 GLU A 85 85.267 6.438 -2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 85 86.805 7.112 -3.419 1.00 0.00 H new ATOM 1331 N GLU A 86 86.499 9.514 -6.911 1.00 0.00 N ATOM 1332 CA GLU A 86 87.158 10.788 -7.189 1.00 0.00 C ATOM 1333 C GLU A 86 86.446 11.942 -6.530 1.00 0.00 C ATOM 1334 O GLU A 86 85.476 12.497 -7.046 1.00 0.00 O ATOM 1335 CB GLU A 86 87.220 11.013 -8.703 1.00 0.00 C ATOM 1336 CG GLU A 86 87.822 12.350 -9.104 1.00 0.00 C ATOM 1337 CD GLU A 86 88.602 12.272 -10.401 1.00 0.00 C ATOM 1338 OE1 GLU A 86 88.364 11.325 -11.180 1.00 0.00 O ATOM 1339 OE2 GLU A 86 89.451 13.156 -10.639 1.00 0.00 O ATOM 0 H GLU A 86 85.628 9.370 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 86 88.166 10.742 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 86 87.805 10.212 -9.156 1.00 0.00 H new ATOM 0 HB3 GLU A 86 86.212 10.942 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 86 87.025 13.087 -9.207 1.00 0.00 H new ATOM 0 HG3 GLU A 86 88.480 12.701 -8.309 1.00 0.00 H new ATOM 1346 N ILE A 87 86.965 12.282 -5.372 1.00 0.00 N ATOM 1347 CA ILE A 87 86.542 13.442 -4.645 1.00 0.00 C ATOM 1348 C ILE A 87 87.782 14.278 -4.701 1.00 0.00 C ATOM 1349 O ILE A 87 88.683 14.122 -3.883 1.00 0.00 O ATOM 1350 CB ILE A 87 86.149 13.120 -3.179 1.00 0.00 C ATOM 1351 CG1 ILE A 87 84.651 12.824 -3.086 1.00 0.00 C ATOM 1352 CG2 ILE A 87 86.529 14.260 -2.238 1.00 0.00 C ATOM 1353 CD1 ILE A 87 84.332 11.348 -3.000 1.00 0.00 C ATOM 0 H ILE A 87 87.701 11.750 -4.909 1.00 0.00 H new ATOM 0 HA ILE A 87 85.649 13.913 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 87 86.704 12.235 -2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 87 84.243 13.327 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 87 84.151 13.246 -3.958 1.00 0.00 H new ATOM 0 HG21 ILE A 87 86.240 14.002 -1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 87 87.606 14.422 -2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 87 86.013 15.170 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 87 83.252 11.212 -2.937 1.00 0.00 H new ATOM 0 HD12 ILE A 87 84.710 10.842 -3.888 1.00 0.00 H new ATOM 0 HD13 ILE A 87 84.804 10.925 -2.113 1.00 0.00 H new ATOM 1365 N THR A 88 87.841 15.159 -5.669 1.00 0.00 N ATOM 1366 CA THR A 88 89.048 15.913 -5.872 1.00 0.00 C ATOM 1367 C THR A 88 88.905 17.371 -5.449 1.00 0.00 C ATOM 1368 O THR A 88 88.101 18.117 -6.009 1.00 0.00 O ATOM 1369 CB THR A 88 89.520 15.810 -7.340 1.00 0.00 C ATOM 1370 OG1 THR A 88 90.105 17.043 -7.776 1.00 0.00 O ATOM 1371 CG2 THR A 88 88.381 15.425 -8.266 1.00 0.00 C ATOM 0 H THR A 88 87.081 15.368 -6.317 1.00 0.00 H new ATOM 0 HA THR A 88 89.809 15.471 -5.229 1.00 0.00 H new ATOM 0 HB THR A 88 90.275 15.025 -7.381 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.963 17.150 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 88 88.750 15.362 -9.290 1.00 0.00 H new ATOM 0 HG22 THR A 88 87.979 14.458 -7.965 1.00 0.00 H new ATOM 0 HG23 THR A 88 87.595 16.178 -8.209 1.00 0.00 H new ATOM 1379 N ILE A 89 89.692 17.768 -4.453 1.00 0.00 N ATOM 1380 CA ILE A 89 89.661 19.134 -3.948 1.00 0.00 C ATOM 1381 C ILE A 89 90.268 20.105 -4.956 1.00 0.00 C ATOM 1382 O ILE A 89 89.787 21.226 -5.124 1.00 0.00 O ATOM 1383 CB ILE A 89 90.417 19.251 -2.609 1.00 0.00 C ATOM 1384 CG1 ILE A 89 91.904 18.938 -2.801 1.00 0.00 C ATOM 1385 CG2 ILE A 89 89.805 18.316 -1.575 1.00 0.00 C ATOM 1386 CD1 ILE A 89 92.710 19.015 -1.522 1.00 0.00 C ATOM 0 H ILE A 89 90.360 17.160 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 89 88.614 19.393 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 89 90.327 20.276 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 89 92.005 17.939 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 89 92.323 19.635 -3.527 1.00 0.00 H new ATOM 0 HG21 ILE A 89 90.348 18.408 -0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 89 88.760 18.581 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 89 89.869 17.288 -1.931 1.00 0.00 H new ATOM 0 HD11 ILE A 89 93.753 18.781 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.640 20.021 -1.108 1.00 0.00 H new ATOM 0 HD13 ILE A 89 92.317 18.298 -0.801 1.00 0.00 H new ATOM 1398 N LYS A 90 91.328 19.664 -5.625 1.00 0.00 N ATOM 1399 CA LYS A 90 92.005 20.486 -6.622 1.00 0.00 C ATOM 1400 C LYS A 90 92.710 19.607 -7.650 1.00 0.00 C ATOM 1401 O LYS A 90 93.940 19.548 -7.695 1.00 0.00 O ATOM 1402 CB LYS A 90 93.013 21.420 -5.948 1.00 0.00 C ATOM 1403 CG LYS A 90 93.569 22.486 -6.877 1.00 0.00 C ATOM 1404 CD LYS A 90 93.823 23.792 -6.140 1.00 0.00 C ATOM 1405 CE LYS A 90 95.299 23.979 -5.827 1.00 0.00 C ATOM 1406 NZ LYS A 90 95.715 25.403 -5.945 1.00 0.00 N ATOM 0 H LYS A 90 91.738 18.739 -5.494 1.00 0.00 H new ATOM 0 HA LYS A 90 91.256 21.090 -7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 90 92.534 21.905 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 90 93.838 20.827 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 90 94.499 22.132 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 90 92.869 22.659 -7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 90 93.470 24.627 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 90 93.249 23.805 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 90 95.504 23.623 -4.817 1.00 0.00 H new ATOM 0 HE3 LYS A 90 95.894 23.369 -6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 96.728 25.488 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 95.543 25.736 -6.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 95.165 25.982 -5.278 1.00 0.00 H new ATOM 1420 N ASP A 91 91.922 18.924 -8.474 1.00 0.00 N ATOM 1421 CA ASP A 91 92.464 18.040 -9.501 1.00 0.00 C ATOM 1422 C ASP A 91 93.180 16.845 -8.875 1.00 0.00 C ATOM 1423 O ASP A 91 93.967 16.166 -9.535 1.00 0.00 O ATOM 1424 CB ASP A 91 93.425 18.807 -10.412 1.00 0.00 C ATOM 1425 CG ASP A 91 93.496 18.216 -11.806 1.00 0.00 C ATOM 1426 OD1 ASP A 91 92.519 18.372 -12.568 1.00 0.00 O ATOM 1427 OD2 ASP A 91 94.529 17.596 -12.136 1.00 0.00 O ATOM 0 H ASP A 91 90.903 18.966 -8.451 1.00 0.00 H new ATOM 0 HA ASP A 91 91.631 17.667 -10.096 1.00 0.00 H new ATOM 0 HB2 ASP A 91 93.107 19.847 -10.477 1.00 0.00 H new ATOM 0 HB3 ASP A 91 94.421 18.805 -9.969 1.00 0.00 H new ATOM 1432 N ARG A 92 92.903 16.592 -7.598 1.00 0.00 N ATOM 1433 CA ARG A 92 93.515 15.476 -6.886 1.00 0.00 C ATOM 1434 C ARG A 92 92.439 14.532 -6.364 1.00 0.00 C ATOM 1435 O ARG A 92 92.079 14.573 -5.187 1.00 0.00 O ATOM 1436 CB ARG A 92 94.374 15.986 -5.724 1.00 0.00 C ATOM 1437 CG ARG A 92 95.172 17.239 -6.054 1.00 0.00 C ATOM 1438 CD ARG A 92 96.668 16.969 -6.064 1.00 0.00 C ATOM 1439 NE ARG A 92 97.192 16.849 -7.424 1.00 0.00 N ATOM 1440 CZ ARG A 92 98.220 17.554 -7.897 1.00 0.00 C ATOM 1441 NH1 ARG A 92 98.856 18.428 -7.124 1.00 0.00 N ATOM 1442 NH2 ARG A 92 98.617 17.381 -9.150 1.00 0.00 N ATOM 0 H ARG A 92 92.258 17.146 -7.036 1.00 0.00 H new ATOM 0 HA ARG A 92 94.156 14.933 -7.581 1.00 0.00 H new ATOM 0 HB2 ARG A 92 93.728 16.192 -4.870 1.00 0.00 H new ATOM 0 HB3 ARG A 92 95.063 15.198 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 92 94.865 17.620 -7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 92 94.948 18.016 -5.323 1.00 0.00 H new ATOM 0 HD2 ARG A 92 97.186 17.776 -5.545 1.00 0.00 H new ATOM 0 HD3 ARG A 92 96.875 16.052 -5.513 1.00 0.00 H new ATOM 0 HE ARG A 92 96.742 16.183 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 92 98.559 18.565 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 92 99.641 18.962 -7.497 1.00 0.00 H new ATOM 0 HH21 ARG A 92 98.136 16.710 -9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 92 99.403 17.919 -9.515 1.00 0.00 H new ATOM 1456 N LEU A 93 91.928 13.682 -7.252 1.00 0.00 N ATOM 1457 CA LEU A 93 90.877 12.729 -6.899 1.00 0.00 C ATOM 1458 C LEU A 93 91.176 12.034 -5.567 1.00 0.00 C ATOM 1459 O LEU A 93 92.238 11.436 -5.395 1.00 0.00 O ATOM 1460 CB LEU A 93 90.725 11.684 -8.008 1.00 0.00 C ATOM 1461 CG LEU A 93 91.876 10.683 -8.128 1.00 0.00 C ATOM 1462 CD1 LEU A 93 91.559 9.629 -9.177 1.00 0.00 C ATOM 1463 CD2 LEU A 93 93.174 11.400 -8.466 1.00 0.00 C ATOM 0 H LEU A 93 92.226 13.634 -8.226 1.00 0.00 H new ATOM 0 HA LEU A 93 89.945 13.283 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 93 89.801 11.131 -7.839 1.00 0.00 H new ATOM 0 HB3 LEU A 93 90.616 12.203 -8.960 1.00 0.00 H new ATOM 0 HG LEU A 93 92.000 10.184 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 93 92.389 8.926 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 93 90.653 9.094 -8.893 1.00 0.00 H new ATOM 0 HD13 LEU A 93 91.408 10.111 -10.143 1.00 0.00 H new ATOM 0 HD21 LEU A 93 93.981 10.672 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 93 93.063 11.926 -9.414 1.00 0.00 H new ATOM 0 HD23 LEU A 93 93.409 12.116 -7.679 1.00 0.00 H new ATOM 1475 N LEU A 94 90.239 12.124 -4.628 1.00 0.00 N ATOM 1476 CA LEU A 94 90.399 11.493 -3.321 1.00 0.00 C ATOM 1477 C LEU A 94 89.578 10.213 -3.250 1.00 0.00 C ATOM 1478 O LEU A 94 88.360 10.238 -3.429 1.00 0.00 O ATOM 1479 CB LEU A 94 89.964 12.436 -2.194 1.00 0.00 C ATOM 1480 CG LEU A 94 90.674 13.792 -2.157 1.00 0.00 C ATOM 1481 CD1 LEU A 94 89.796 14.832 -1.474 1.00 0.00 C ATOM 1482 CD2 LEU A 94 92.013 13.673 -1.445 1.00 0.00 C ATOM 0 H LEU A 94 89.360 12.628 -4.747 1.00 0.00 H new ATOM 0 HA LEU A 94 91.456 11.259 -3.193 1.00 0.00 H new ATOM 0 HB2 LEU A 94 88.892 12.610 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 94 90.128 11.934 -1.240 1.00 0.00 H new ATOM 0 HG LEU A 94 90.858 14.115 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 94 90.315 15.791 -1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 94 88.861 14.936 -2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 94 89.583 14.515 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 94 92.504 14.646 -1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 94 91.852 13.330 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 94 92.644 12.958 -1.973 1.00 0.00 H new ATOM 1494 N LEU A 95 90.244 9.096 -2.987 1.00 0.00 N ATOM 1495 CA LEU A 95 89.560 7.813 -2.896 1.00 0.00 C ATOM 1496 C LEU A 95 89.790 7.165 -1.537 1.00 0.00 C ATOM 1497 O LEU A 95 90.834 6.560 -1.293 1.00 0.00 O ATOM 1498 CB LEU A 95 90.028 6.876 -4.009 1.00 0.00 C ATOM 1499 CG LEU A 95 91.515 6.979 -4.362 1.00 0.00 C ATOM 1500 CD1 LEU A 95 92.111 5.598 -4.583 1.00 0.00 C ATOM 1501 CD2 LEU A 95 91.710 7.850 -5.594 1.00 0.00 C ATOM 0 H LEU A 95 91.251 9.052 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 95 88.492 7.995 -3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 95 89.811 5.849 -3.714 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.443 7.081 -4.905 1.00 0.00 H new ATOM 0 HG LEU A 95 92.035 7.445 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 95 93.168 5.693 -4.833 1.00 0.00 H new ATOM 0 HD12 LEU A 95 92.005 5.006 -3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 95 91.588 5.103 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 95 92.772 7.913 -5.831 1.00 0.00 H new ATOM 0 HD22 LEU A 95 91.175 7.413 -6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 95 91.323 8.850 -5.398 1.00 0.00 H new ATOM 1513 N ILE A 96 88.806 7.299 -0.657 1.00 0.00 N ATOM 1514 CA ILE A 96 88.887 6.725 0.678 1.00 0.00 C ATOM 1515 C ILE A 96 88.089 5.426 0.748 1.00 0.00 C ATOM 1516 O ILE A 96 86.865 5.444 0.884 1.00 0.00 O ATOM 1517 CB ILE A 96 88.366 7.713 1.743 1.00 0.00 C ATOM 1518 CG1 ILE A 96 89.154 9.025 1.681 1.00 0.00 C ATOM 1519 CG2 ILE A 96 88.458 7.100 3.134 1.00 0.00 C ATOM 1520 CD1 ILE A 96 88.824 9.881 0.475 1.00 0.00 C ATOM 0 H ILE A 96 87.939 7.803 -0.846 1.00 0.00 H new ATOM 0 HA ILE A 96 89.936 6.515 0.886 1.00 0.00 H new ATOM 0 HB ILE A 96 87.318 7.927 1.533 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.958 9.599 2.587 1.00 0.00 H new ATOM 0 HG13 ILE A 96 90.220 8.798 1.673 1.00 0.00 H new ATOM 0 HG21 ILE A 96 88.086 7.812 3.871 1.00 0.00 H new ATOM 0 HG22 ILE A 96 87.857 6.191 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 96 89.497 6.857 3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.421 10.792 0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 96 89.047 9.327 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.765 10.141 0.492 1.00 0.00 H new ATOM 1532 N ASN A 97 88.791 4.301 0.653 1.00 0.00 N ATOM 1533 CA ASN A 97 88.147 2.992 0.689 1.00 0.00 C ATOM 1534 C ASN A 97 88.880 2.035 1.623 1.00 0.00 C ATOM 1535 O ASN A 97 90.093 2.137 1.810 1.00 0.00 O ATOM 1536 CB ASN A 97 88.091 2.398 -0.719 1.00 0.00 C ATOM 1537 CG ASN A 97 89.424 2.486 -1.437 1.00 0.00 C ATOM 1538 OD1 ASN A 97 90.257 1.587 -1.337 1.00 0.00 O ATOM 1539 ND2 ASN A 97 89.630 3.576 -2.168 1.00 0.00 N ATOM 0 H ASN A 97 89.805 4.269 0.551 1.00 0.00 H new ATOM 0 HA ASN A 97 87.135 3.128 1.070 1.00 0.00 H new ATOM 0 HB2 ASN A 97 87.782 1.354 -0.658 1.00 0.00 H new ATOM 0 HB3 ASN A 97 87.333 2.921 -1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 97 90.508 3.692 -2.675 1.00 0.00 H new ATOM 0 HD22 ASN A 97 88.911 4.297 -2.222 1.00 0.00 H new ATOM 1546 N THR A 98 88.132 1.103 2.207 1.00 0.00 N ATOM 1547 CA THR A 98 88.704 0.119 3.119 1.00 0.00 C ATOM 1548 C THR A 98 88.745 -1.264 2.475 1.00 0.00 C ATOM 1549 O THR A 98 87.707 -1.887 2.252 1.00 0.00 O ATOM 1550 CB THR A 98 87.901 0.038 4.431 1.00 0.00 C ATOM 1551 OG1 THR A 98 86.673 -0.665 4.211 1.00 0.00 O ATOM 1552 CG2 THR A 98 87.604 1.428 4.973 1.00 0.00 C ATOM 0 H THR A 98 87.126 1.009 2.064 1.00 0.00 H new ATOM 0 HA THR A 98 89.720 0.445 3.343 1.00 0.00 H new ATOM 0 HB THR A 98 88.502 -0.499 5.165 1.00 0.00 H new ATOM 0 HG1 THR A 98 86.668 -1.039 3.305 1.00 0.00 H new ATOM 0 HG21 THR A 98 87.036 1.344 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 98 88.541 1.950 5.168 1.00 0.00 H new ATOM 0 HG23 THR A 98 87.022 1.987 4.241 1.00 0.00 H new ATOM 1560 N VAL A 99 89.951 -1.740 2.178 1.00 0.00 N ATOM 1561 CA VAL A 99 90.129 -3.048 1.556 1.00 0.00 C ATOM 1562 C VAL A 99 90.706 -4.058 2.544 1.00 0.00 C ATOM 1563 O VAL A 99 91.438 -3.689 3.463 1.00 0.00 O ATOM 1564 CB VAL A 99 91.054 -2.967 0.328 1.00 0.00 C ATOM 1565 CG1 VAL A 99 90.386 -2.187 -0.794 1.00 0.00 C ATOM 1566 CG2 VAL A 99 92.389 -2.342 0.705 1.00 0.00 C ATOM 0 H VAL A 99 90.821 -1.238 2.358 1.00 0.00 H new ATOM 0 HA VAL A 99 89.141 -3.379 1.238 1.00 0.00 H new ATOM 0 HB VAL A 99 91.243 -3.979 -0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 99 91.055 -2.140 -1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 99 89.460 -2.685 -1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 99 90.164 -1.176 -0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 99 93.029 -2.293 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 99 92.224 -1.336 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 99 92.871 -2.949 1.471 1.00 0.00 H new ATOM 1576 N PRO A 100 90.382 -5.352 2.368 1.00 0.00 N ATOM 1577 CA PRO A 100 90.862 -6.418 3.233 1.00 0.00 C ATOM 1578 C PRO A 100 92.068 -7.145 2.645 1.00 0.00 C ATOM 1579 O PRO A 100 92.118 -7.414 1.445 1.00 0.00 O ATOM 1580 CB PRO A 100 89.655 -7.346 3.267 1.00 0.00 C ATOM 1581 CG PRO A 100 89.048 -7.225 1.902 1.00 0.00 C ATOM 1582 CD PRO A 100 89.484 -5.889 1.333 1.00 0.00 C ATOM 0 HA PRO A 100 91.199 -6.060 4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 100 89.950 -8.373 3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 100 88.949 -7.050 4.043 1.00 0.00 H new ATOM 0 HG2 PRO A 100 89.378 -8.042 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 100 87.961 -7.283 1.958 1.00 0.00 H new ATOM 0 HD2 PRO A 100 89.997 -6.007 0.379 1.00 0.00 H new ATOM 0 HD3 PRO A 100 88.633 -5.230 1.158 1.00 0.00 H new ATOM 1590 N VAL A 101 93.036 -7.462 3.499 1.00 0.00 N ATOM 1591 CA VAL A 101 94.242 -8.156 3.063 1.00 0.00 C ATOM 1592 C VAL A 101 93.905 -9.493 2.410 1.00 0.00 C ATOM 1593 O VAL A 101 93.024 -10.218 2.873 1.00 0.00 O ATOM 1594 CB VAL A 101 95.210 -8.395 4.240 1.00 0.00 C ATOM 1595 CG1 VAL A 101 94.573 -9.295 5.288 1.00 0.00 C ATOM 1596 CG2 VAL A 101 96.520 -8.988 3.742 1.00 0.00 C ATOM 0 H VAL A 101 93.009 -7.249 4.496 1.00 0.00 H new ATOM 0 HA VAL A 101 94.729 -7.513 2.329 1.00 0.00 H new ATOM 0 HB VAL A 101 95.426 -7.434 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 101 95.273 -9.450 6.109 1.00 0.00 H new ATOM 0 HG12 VAL A 101 93.666 -8.825 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 101 94.322 -10.256 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 101 97.190 -9.150 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 101 96.324 -9.939 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 101 96.985 -8.300 3.036 1.00 0.00 H new ATOM 1606 N ARG A 102 94.612 -9.812 1.332 1.00 0.00 N ATOM 1607 CA ARG A 102 94.389 -11.061 0.612 1.00 0.00 C ATOM 1608 C ARG A 102 94.678 -12.265 1.502 1.00 0.00 C ATOM 1609 O ARG A 102 95.615 -12.250 2.301 1.00 0.00 O ATOM 1610 CB ARG A 102 95.267 -11.115 -0.640 1.00 0.00 C ATOM 1611 CG ARG A 102 94.818 -10.164 -1.739 1.00 0.00 C ATOM 1612 CD ARG A 102 94.692 -10.875 -3.077 1.00 0.00 C ATOM 1613 NE ARG A 102 95.996 -11.210 -3.645 1.00 0.00 N ATOM 1614 CZ ARG A 102 96.181 -11.584 -4.909 1.00 0.00 C ATOM 1615 NH1 ARG A 102 95.149 -11.676 -5.739 1.00 0.00 N ATOM 1616 NH2 ARG A 102 97.400 -11.869 -5.345 1.00 0.00 N ATOM 0 H ARG A 102 95.345 -9.223 0.937 1.00 0.00 H new ATOM 0 HA ARG A 102 93.341 -11.097 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 102 96.295 -10.879 -0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 102 95.268 -12.133 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 102 93.859 -9.722 -1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 102 95.532 -9.345 -1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 102 94.107 -11.786 -2.950 1.00 0.00 H new ATOM 0 HD3 ARG A 102 94.145 -10.240 -3.774 1.00 0.00 H new ATOM 0 HE ARG A 102 96.813 -11.154 -3.037 1.00 0.00 H new ATOM 0 HH11 ARG A 102 94.208 -11.460 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 102 95.297 -11.963 -6.707 1.00 0.00 H new ATOM 0 HH21 ARG A 102 98.197 -11.802 -4.712 1.00 0.00 H new ATOM 0 HH22 ARG A 102 97.541 -12.156 -6.314 1.00 0.00 H new ATOM 1630 N SER A 103 93.867 -13.308 1.357 1.00 0.00 N ATOM 1631 CA SER A 103 94.032 -14.523 2.146 1.00 0.00 C ATOM 1632 C SER A 103 93.394 -15.718 1.443 1.00 0.00 C ATOM 1633 O SER A 103 93.002 -15.628 0.279 1.00 0.00 O ATOM 1634 CB SER A 103 93.415 -14.342 3.534 1.00 0.00 C ATOM 1635 OG SER A 103 93.893 -13.162 4.154 1.00 0.00 O ATOM 0 H SER A 103 93.088 -13.336 0.699 1.00 0.00 H new ATOM 0 HA SER A 103 95.099 -14.716 2.254 1.00 0.00 H new ATOM 0 HB2 SER A 103 92.329 -14.298 3.450 1.00 0.00 H new ATOM 0 HB3 SER A 103 93.652 -15.205 4.156 1.00 0.00 H new ATOM 0 HG SER A 103 94.737 -12.892 3.736 1.00 0.00 H new ATOM 1641 N ASN A 104 93.294 -16.836 2.155 1.00 0.00 N ATOM 1642 CA ASN A 104 92.703 -18.047 1.596 1.00 0.00 C ATOM 1643 C ASN A 104 91.509 -18.506 2.428 1.00 0.00 C ATOM 1644 O ASN A 104 91.305 -19.702 2.634 1.00 0.00 O ATOM 1645 CB ASN A 104 93.750 -19.162 1.522 1.00 0.00 C ATOM 1646 CG ASN A 104 93.814 -19.805 0.150 1.00 0.00 C ATOM 1647 OD1 ASN A 104 92.787 -20.027 -0.492 1.00 0.00 O ATOM 1648 ND2 ASN A 104 95.024 -20.107 -0.306 1.00 0.00 N ATOM 0 H ASN A 104 93.614 -16.929 3.119 1.00 0.00 H new ATOM 0 HA ASN A 104 92.353 -17.820 0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 104 94.729 -18.755 1.775 1.00 0.00 H new ATOM 0 HB3 ASN A 104 93.519 -19.924 2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 104 95.130 -20.541 -1.223 1.00 0.00 H new ATOM 0 HD22 ASN A 104 95.848 -19.905 0.261 1.00 0.00 H new ATOM 1655 N GLY A 105 90.721 -17.546 2.903 1.00 0.00 N ATOM 1656 CA GLY A 105 89.557 -17.872 3.706 1.00 0.00 C ATOM 1657 C GLY A 105 89.131 -16.727 4.603 1.00 0.00 C ATOM 1658 O GLY A 105 89.033 -15.583 4.157 1.00 0.00 O ATOM 0 H GLY A 105 90.868 -16.549 2.746 1.00 0.00 H new ATOM 0 HA2 GLY A 105 88.730 -18.141 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 105 89.776 -18.747 4.318 1.00 0.00 H new ATOM 1662 N VAL A 106 88.876 -17.034 5.871 1.00 0.00 N ATOM 1663 CA VAL A 106 88.458 -16.022 6.833 1.00 0.00 C ATOM 1664 C VAL A 106 89.510 -14.927 6.970 1.00 0.00 C ATOM 1665 O VAL A 106 90.699 -15.210 7.116 1.00 0.00 O ATOM 1666 CB VAL A 106 88.191 -16.640 8.218 1.00 0.00 C ATOM 1667 CG1 VAL A 106 87.572 -15.611 9.151 1.00 0.00 C ATOM 1668 CG2 VAL A 106 87.296 -17.864 8.093 1.00 0.00 C ATOM 0 H VAL A 106 88.952 -17.976 6.256 1.00 0.00 H new ATOM 0 HA VAL A 106 87.533 -15.587 6.454 1.00 0.00 H new ATOM 0 HB VAL A 106 89.143 -16.957 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 106 87.390 -16.066 10.125 1.00 0.00 H new ATOM 0 HG12 VAL A 106 88.253 -14.768 9.266 1.00 0.00 H new ATOM 0 HG13 VAL A 106 86.628 -15.261 8.732 1.00 0.00 H new ATOM 0 HG21 VAL A 106 87.118 -18.287 9.082 1.00 0.00 H new ATOM 0 HG22 VAL A 106 86.345 -17.575 7.646 1.00 0.00 H new ATOM 0 HG23 VAL A 106 87.783 -18.608 7.462 1.00 0.00 H new ATOM 1678 N ILE A 107 89.063 -13.677 6.924 1.00 0.00 N ATOM 1679 CA ILE A 107 89.966 -12.538 7.041 1.00 0.00 C ATOM 1680 C ILE A 107 89.485 -11.559 8.107 1.00 0.00 C ATOM 1681 O ILE A 107 88.309 -11.198 8.147 1.00 0.00 O ATOM 1682 CB ILE A 107 90.105 -11.789 5.702 1.00 0.00 C ATOM 1683 CG1 ILE A 107 88.731 -11.577 5.064 1.00 0.00 C ATOM 1684 CG2 ILE A 107 91.021 -12.554 4.759 1.00 0.00 C ATOM 1685 CD1 ILE A 107 88.720 -10.512 3.990 1.00 0.00 C ATOM 0 H ILE A 107 88.081 -13.427 6.807 1.00 0.00 H new ATOM 0 HA ILE A 107 90.938 -12.938 7.329 1.00 0.00 H new ATOM 0 HB ILE A 107 90.549 -10.812 5.895 1.00 0.00 H new ATOM 0 HG12 ILE A 107 88.390 -12.519 4.634 1.00 0.00 H new ATOM 0 HG13 ILE A 107 88.017 -11.305 5.841 1.00 0.00 H new ATOM 0 HG21 ILE A 107 91.109 -12.012 3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 107 92.007 -12.656 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 107 90.605 -13.543 4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 107 87.714 -10.416 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 107 89.030 -9.559 4.419 1.00 0.00 H new ATOM 0 HD13 ILE A 107 89.409 -10.792 3.193 1.00 0.00 H new ATOM 1697 N ILE A 108 90.404 -11.134 8.968 1.00 0.00 N ATOM 1698 CA ILE A 108 90.077 -10.194 10.033 1.00 0.00 C ATOM 1699 C ILE A 108 90.810 -8.872 9.837 1.00 0.00 C ATOM 1700 O ILE A 108 91.826 -8.811 9.144 1.00 0.00 O ATOM 1701 CB ILE A 108 90.433 -10.767 11.418 1.00 0.00 C ATOM 1702 CG1 ILE A 108 89.851 -12.174 11.575 1.00 0.00 C ATOM 1703 CG2 ILE A 108 89.922 -9.849 12.519 1.00 0.00 C ATOM 1704 CD1 ILE A 108 90.154 -12.808 12.915 1.00 0.00 C ATOM 0 H ILE A 108 91.381 -11.426 8.949 1.00 0.00 H new ATOM 0 HA ILE A 108 89.002 -10.022 9.987 1.00 0.00 H new ATOM 0 HB ILE A 108 91.518 -10.831 11.502 1.00 0.00 H new ATOM 0 HG12 ILE A 108 88.770 -12.128 11.440 1.00 0.00 H new ATOM 0 HG13 ILE A 108 90.245 -12.812 10.783 1.00 0.00 H new ATOM 0 HG21 ILE A 108 90.181 -10.268 13.491 1.00 0.00 H new ATOM 0 HG22 ILE A 108 90.379 -8.865 12.414 1.00 0.00 H new ATOM 0 HG23 ILE A 108 88.839 -9.756 12.441 1.00 0.00 H new ATOM 0 HD11 ILE A 108 89.711 -13.803 12.955 1.00 0.00 H new ATOM 0 HD12 ILE A 108 91.233 -12.886 13.045 1.00 0.00 H new ATOM 0 HD13 ILE A 108 89.736 -12.192 13.712 1.00 0.00 H new ATOM 1716 N GLY A 109 90.290 -7.814 10.451 1.00 0.00 N ATOM 1717 CA GLY A 109 90.910 -6.508 10.327 1.00 0.00 C ATOM 1718 C GLY A 109 90.675 -5.886 8.965 1.00 0.00 C ATOM 1719 O GLY A 109 90.301 -6.576 8.016 1.00 0.00 O ATOM 0 H GLY A 109 89.452 -7.838 11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 109 90.516 -5.847 11.099 1.00 0.00 H new ATOM 0 HA3 GLY A 109 91.982 -6.599 10.502 1.00 0.00 H new ATOM 1723 N ALA A 110 90.896 -4.579 8.866 1.00 0.00 N ATOM 1724 CA ALA A 110 90.704 -3.867 7.609 1.00 0.00 C ATOM 1725 C ALA A 110 91.732 -2.754 7.442 1.00 0.00 C ATOM 1726 O ALA A 110 92.198 -2.172 8.422 1.00 0.00 O ATOM 1727 CB ALA A 110 89.295 -3.298 7.539 1.00 0.00 C ATOM 0 H ALA A 110 91.208 -3.993 9.640 1.00 0.00 H new ATOM 0 HA ALA A 110 90.843 -4.577 6.794 1.00 0.00 H new ATOM 0 HB1 ALA A 110 89.163 -2.768 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 110 88.571 -4.110 7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 110 89.140 -2.607 8.368 1.00 0.00 H new ATOM 1733 N ILE A 111 92.081 -2.463 6.193 1.00 0.00 N ATOM 1734 CA ILE A 111 93.051 -1.418 5.894 1.00 0.00 C ATOM 1735 C ILE A 111 92.351 -0.141 5.442 1.00 0.00 C ATOM 1736 O ILE A 111 91.366 -0.190 4.706 1.00 0.00 O ATOM 1737 CB ILE A 111 94.040 -1.864 4.800 1.00 0.00 C ATOM 1738 CG1 ILE A 111 94.616 -3.242 5.134 1.00 0.00 C ATOM 1739 CG2 ILE A 111 95.154 -0.841 4.643 1.00 0.00 C ATOM 1740 CD1 ILE A 111 95.576 -3.766 4.089 1.00 0.00 C ATOM 0 H ILE A 111 91.706 -2.937 5.372 1.00 0.00 H new ATOM 0 HA ILE A 111 93.605 -1.224 6.813 1.00 0.00 H new ATOM 0 HB ILE A 111 93.504 -1.935 3.853 1.00 0.00 H new ATOM 0 HG12 ILE A 111 95.130 -3.189 6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 111 93.796 -3.951 5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 111 95.844 -1.171 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 111 94.727 0.122 4.364 1.00 0.00 H new ATOM 0 HG23 ILE A 111 95.691 -0.740 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 111 95.944 -4.746 4.392 1.00 0.00 H new ATOM 0 HD12 ILE A 111 95.061 -3.852 3.132 1.00 0.00 H new ATOM 0 HD13 ILE A 111 96.416 -3.078 3.989 1.00 0.00 H new ATOM 1752 N SER A 112 92.864 1.002 5.887 1.00 0.00 N ATOM 1753 CA SER A 112 92.283 2.290 5.528 1.00 0.00 C ATOM 1754 C SER A 112 93.083 2.964 4.418 1.00 0.00 C ATOM 1755 O SER A 112 94.283 3.201 4.559 1.00 0.00 O ATOM 1756 CB SER A 112 92.218 3.203 6.756 1.00 0.00 C ATOM 1757 OG SER A 112 90.890 3.627 7.007 1.00 0.00 O ATOM 0 H SER A 112 93.680 1.062 6.496 1.00 0.00 H new ATOM 0 HA SER A 112 91.272 2.113 5.160 1.00 0.00 H new ATOM 0 HB2 SER A 112 92.605 2.674 7.627 1.00 0.00 H new ATOM 0 HB3 SER A 112 92.857 4.072 6.601 1.00 0.00 H new ATOM 0 HG SER A 112 90.876 4.207 7.797 1.00 0.00 H new ATOM 1763 N THR A 113 92.410 3.269 3.313 1.00 0.00 N ATOM 1764 CA THR A 113 93.055 3.920 2.178 1.00 0.00 C ATOM 1765 C THR A 113 92.761 5.417 2.172 1.00 0.00 C ATOM 1766 O THR A 113 91.602 5.830 2.160 1.00 0.00 O ATOM 1767 CB THR A 113 92.592 3.308 0.842 1.00 0.00 C ATOM 1768 OG1 THR A 113 92.767 1.886 0.868 1.00 0.00 O ATOM 1769 CG2 THR A 113 93.372 3.896 -0.324 1.00 0.00 C ATOM 0 H THR A 113 91.417 3.076 3.179 1.00 0.00 H new ATOM 0 HA THR A 113 94.128 3.762 2.285 1.00 0.00 H new ATOM 0 HB THR A 113 91.536 3.543 0.708 1.00 0.00 H new ATOM 0 HG1 THR A 113 91.951 1.462 1.206 1.00 0.00 H new ATOM 0 HG21 THR A 113 93.027 3.448 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 113 93.215 4.974 -0.360 1.00 0.00 H new ATOM 0 HG23 THR A 113 94.434 3.688 -0.193 1.00 0.00 H new ATOM 1777 N PHE A 114 93.817 6.225 2.183 1.00 0.00 N ATOM 1778 CA PHE A 114 93.667 7.676 2.183 1.00 0.00 C ATOM 1779 C PHE A 114 94.634 8.327 1.198 1.00 0.00 C ATOM 1780 O PHE A 114 95.768 7.876 1.036 1.00 0.00 O ATOM 1781 CB PHE A 114 93.900 8.231 3.590 1.00 0.00 C ATOM 1782 CG PHE A 114 92.867 9.232 4.022 1.00 0.00 C ATOM 1783 CD1 PHE A 114 92.702 10.420 3.328 1.00 0.00 C ATOM 1784 CD2 PHE A 114 92.061 8.985 5.122 1.00 0.00 C ATOM 1785 CE1 PHE A 114 91.752 11.343 3.723 1.00 0.00 C ATOM 1786 CE2 PHE A 114 91.110 9.905 5.522 1.00 0.00 C ATOM 1787 CZ PHE A 114 90.956 11.086 4.822 1.00 0.00 C ATOM 0 H PHE A 114 94.784 5.900 2.192 1.00 0.00 H new ATOM 0 HA PHE A 114 92.650 7.911 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 114 93.911 7.404 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 114 94.884 8.698 3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 114 93.323 10.627 2.469 1.00 0.00 H new ATOM 0 HD2 PHE A 114 92.177 8.063 5.673 1.00 0.00 H new ATOM 0 HE1 PHE A 114 91.632 12.265 3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 114 90.488 9.701 6.381 1.00 0.00 H new ATOM 0 HZ PHE A 114 90.215 11.807 5.134 1.00 0.00 H new ATOM 1797 N ARG A 115 94.177 9.390 0.544 1.00 0.00 N ATOM 1798 CA ARG A 115 95.001 10.106 -0.424 1.00 0.00 C ATOM 1799 C ARG A 115 95.104 11.584 -0.058 1.00 0.00 C ATOM 1800 O ARG A 115 94.188 12.364 -0.320 1.00 0.00 O ATOM 1801 CB ARG A 115 94.419 9.952 -1.832 1.00 0.00 C ATOM 1802 CG ARG A 115 95.163 10.747 -2.894 1.00 0.00 C ATOM 1803 CD ARG A 115 96.645 10.408 -2.908 1.00 0.00 C ATOM 1804 NE ARG A 115 97.247 10.642 -4.218 1.00 0.00 N ATOM 1805 CZ ARG A 115 98.555 10.783 -4.419 1.00 0.00 C ATOM 1806 NH1 ARG A 115 99.401 10.714 -3.399 1.00 0.00 N ATOM 1807 NH2 ARG A 115 99.019 10.994 -5.643 1.00 0.00 N ATOM 0 H ARG A 115 93.240 9.775 0.667 1.00 0.00 H new ATOM 0 HA ARG A 115 96.002 9.676 -0.406 1.00 0.00 H new ATOM 0 HB2 ARG A 115 94.431 8.897 -2.106 1.00 0.00 H new ATOM 0 HB3 ARG A 115 93.376 10.267 -1.820 1.00 0.00 H new ATOM 0 HG2 ARG A 115 94.732 10.540 -3.874 1.00 0.00 H new ATOM 0 HG3 ARG A 115 95.034 11.813 -2.708 1.00 0.00 H new ATOM 0 HD2 ARG A 115 97.161 11.008 -2.159 1.00 0.00 H new ATOM 0 HD3 ARG A 115 96.781 9.363 -2.628 1.00 0.00 H new ATOM 0 HE ARG A 115 96.628 10.701 -5.027 1.00 0.00 H new ATOM 0 HH11 ARG A 115 99.050 10.552 -2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 115 100.403 10.823 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 115 98.373 11.048 -6.431 1.00 0.00 H new ATOM 0 HH22 ARG A 115 100.022 11.102 -5.797 1.00 0.00 H new ATOM 1821 N ASP A 116 96.224 11.962 0.550 1.00 0.00 N ATOM 1822 CA ASP A 116 96.445 13.346 0.954 1.00 0.00 C ATOM 1823 C ASP A 116 97.784 13.858 0.432 1.00 0.00 C ATOM 1824 O ASP A 116 98.829 13.256 0.678 1.00 0.00 O ATOM 1825 CB ASP A 116 96.395 13.468 2.479 1.00 0.00 C ATOM 1826 CG ASP A 116 95.123 14.136 2.964 1.00 0.00 C ATOM 1827 OD1 ASP A 116 94.791 15.224 2.448 1.00 0.00 O ATOM 1828 OD2 ASP A 116 94.461 13.571 3.859 1.00 0.00 O ATOM 0 H ASP A 116 96.992 11.330 0.774 1.00 0.00 H new ATOM 0 HA ASP A 116 95.652 13.956 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 116 96.473 12.476 2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 116 97.257 14.040 2.823 1.00 0.00 H new ATOM 1833 N LYS A 117 97.745 14.973 -0.290 1.00 0.00 N ATOM 1834 CA LYS A 117 98.955 15.567 -0.845 1.00 0.00 C ATOM 1835 C LYS A 117 99.518 16.630 0.093 1.00 0.00 C ATOM 1836 O LYS A 117 98.935 17.702 0.253 1.00 0.00 O ATOM 1837 CB LYS A 117 98.663 16.182 -2.216 1.00 0.00 C ATOM 1838 CG LYS A 117 99.879 16.822 -2.868 1.00 0.00 C ATOM 1839 CD LYS A 117 100.315 16.059 -4.109 1.00 0.00 C ATOM 1840 CE LYS A 117 101.550 16.681 -4.741 1.00 0.00 C ATOM 1841 NZ LYS A 117 101.208 17.510 -5.930 1.00 0.00 N ATOM 0 H LYS A 117 96.888 15.483 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 117 99.699 14.778 -0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 117 98.272 15.408 -2.876 1.00 0.00 H new ATOM 0 HB3 LYS A 117 97.881 16.934 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 117 99.648 17.853 -3.136 1.00 0.00 H new ATOM 0 HG3 LYS A 117 100.701 16.855 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS A 117 100.523 15.022 -3.845 1.00 0.00 H new ATOM 0 HD3 LYS A 117 99.501 16.046 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 117 102.063 17.298 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 117 102.243 15.893 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 102.079 17.762 -6.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 100.582 16.970 -6.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 100.724 18.377 -5.621 1.00 0.00 H new ATOM 1855 N THR A 118 100.653 16.324 0.712 1.00 0.00 N ATOM 1856 CA THR A 118 101.294 17.253 1.635 1.00 0.00 C ATOM 1857 C THR A 118 102.810 17.097 1.606 1.00 0.00 C ATOM 1858 O THR A 118 103.284 15.959 1.407 1.00 0.00 O ATOM 1859 CB THR A 118 100.794 17.045 3.077 1.00 0.00 C ATOM 1860 OG1 THR A 118 101.514 17.899 3.974 1.00 0.00 O ATOM 1861 CG2 THR A 118 100.963 15.595 3.505 1.00 0.00 C ATOM 0 H THR A 118 101.148 15.440 0.591 1.00 0.00 H new ATOM 0 HA THR A 118 101.029 18.259 1.308 1.00 0.00 H new ATOM 0 HB THR A 118 99.734 17.296 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 118 101.189 17.762 4.888 1.00 0.00 H new ATOM 0 HG21 THR A 118 100.603 15.473 4.527 1.00 0.00 H new ATOM 0 HG22 THR A 118 100.390 14.950 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 118 102.017 15.322 3.457 1.00 0.00 H new TER 1869 THR A 118