USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 840 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 GLN : amide:sc= 0.718 K(o=0.72,f=-6!) USER MOD Single : A 1 GLN N :NH3+ 162:sc= 1.06 (180deg=0.817) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.424 X(o=0.42,f=-0.0065) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.04) USER MOD Single : A 23 ASN :FLIP amide:sc= -1.63! C(o=-3.2!,f=-1.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 30 ASN : amide:sc= 1.14 K(o=1.1,f=-0.22) USER MOD Single : A 32 ASN : amide:sc= -3.53! C(o=-3.5!,f=-6.3!) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 35 SER OG : rot 140:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.0135 USER MOD Single : A 37 MET CE :methyl -175:sc= -0.637 (180deg=-0.783) USER MOD Single : A 39 SER OG : rot 98:sc= 0.481 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 40:sc= 0.0387 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.947 K(o=0.95,f=-0.084) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -56:sc= 1.08 USER MOD Single : A 64 GLN : amide:sc= 0.478 X(o=0.48,f=-0.0024) USER MOD Single : A 66 ASN : amide:sc= 0.777 K(o=0.78,f=-1.3) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -45:sc= 1.25 USER MOD Single : A 81 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.5) USER MOD Single : A 84 GLN : amide:sc= -0.013 X(o=-0.013,f=-0.15) USER MOD Single : A 87 GLN : amide:sc= -0.167 K(o=-0.17,f=-2.4!) USER MOD Single : A 90 HIS : no HD1:sc=-0.00569 X(o=-0.0057,f=-0.03) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 42:sc= 0.153 USER MOD Single : A 101 ASN : amide:sc= 0.126 K(o=0.13,f=-4.5!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 59:sc= 1.22 USER MOD Single : A 115 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.023) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 37.227 2.622 -16.678 1.00 54.34 N ATOM 2 CA GLN A 1 38.398 1.938 -16.100 1.00 22.34 C ATOM 3 C GLN A 1 38.986 2.838 -15.026 1.00 44.30 C ATOM 4 O GLN A 1 39.720 3.784 -15.326 1.00 12.41 O ATOM 5 CB GLN A 1 39.471 1.528 -17.131 1.00 33.52 C ATOM 6 CG GLN A 1 39.194 0.202 -17.861 1.00 75.33 C ATOM 7 CD GLN A 1 38.266 0.364 -19.061 1.00 32.23 C ATOM 8 OE1 GLN A 1 37.223 1.003 -18.963 1.00 73.31 O ATOM 9 NE2 GLN A 1 38.613 -0.186 -20.212 1.00 23.04 N ATOM 0 H1 GLN A 1 36.991 2.192 -17.595 1.00 54.34 H new ATOM 0 H2 GLN A 1 36.417 2.528 -16.033 1.00 54.34 H new ATOM 0 H3 GLN A 1 37.446 3.630 -16.814 1.00 54.34 H new ATOM 0 HA GLN A 1 38.054 0.994 -15.678 1.00 22.34 H new ATOM 0 HB2 GLN A 1 39.564 2.322 -17.872 1.00 33.52 H new ATOM 0 HB3 GLN A 1 40.432 1.452 -16.623 1.00 33.52 H new ATOM 0 HG2 GLN A 1 40.139 -0.227 -18.195 1.00 75.33 H new ATOM 0 HG3 GLN A 1 38.752 -0.507 -17.160 1.00 75.33 H new ATOM 0 HE21 GLN A 1 39.482 -0.715 -20.283 1.00 23.04 H new ATOM 0 HE22 GLN A 1 38.012 -0.081 -21.029 1.00 23.04 H new ATOM 16 N ALA A 2 38.602 2.576 -13.780 1.00 20.53 N ATOM 17 CA ALA A 2 38.848 3.341 -12.570 1.00 44.24 C ATOM 18 C ALA A 2 38.098 2.635 -11.443 1.00 52.33 C ATOM 19 O ALA A 2 37.198 1.828 -11.706 1.00 72.11 O ATOM 20 CB ALA A 2 38.281 4.763 -12.680 1.00 63.20 C ATOM 0 H ALA A 2 38.057 1.738 -13.577 1.00 20.53 H new ATOM 0 HA ALA A 2 39.922 3.406 -12.396 1.00 44.24 H new ATOM 0 HB1 ALA A 2 38.483 5.307 -11.758 1.00 63.20 H new ATOM 0 HB2 ALA A 2 38.752 5.279 -13.516 1.00 63.20 H new ATOM 0 HB3 ALA A 2 37.205 4.714 -12.844 1.00 63.20 H new ATOM 26 N GLN A 3 38.397 3.029 -10.215 1.00 43.40 N ATOM 27 CA GLN A 3 37.816 2.561 -8.969 1.00 22.22 C ATOM 28 C GLN A 3 37.580 3.797 -8.092 1.00 63.54 C ATOM 29 O GLN A 3 38.089 4.882 -8.403 1.00 34.33 O ATOM 30 CB GLN A 3 38.829 1.572 -8.370 1.00 4.03 C ATOM 31 CG GLN A 3 38.408 0.877 -7.074 1.00 73.41 C ATOM 32 CD GLN A 3 39.467 -0.134 -6.648 1.00 31.31 C ATOM 33 OE1 GLN A 3 40.345 0.171 -5.854 1.00 71.52 O ATOM 34 NE2 GLN A 3 39.440 -1.340 -7.190 1.00 43.20 N ATOM 0 H GLN A 3 39.109 3.741 -10.053 1.00 43.40 H new ATOM 0 HA GLN A 3 36.860 2.049 -9.078 1.00 22.22 H new ATOM 0 HB2 GLN A 3 39.042 0.806 -9.116 1.00 4.03 H new ATOM 0 HB3 GLN A 3 39.761 2.106 -8.185 1.00 4.03 H new ATOM 0 HG2 GLN A 3 38.264 1.617 -6.287 1.00 73.41 H new ATOM 0 HG3 GLN A 3 37.452 0.374 -7.217 1.00 73.41 H new ATOM 0 HE21 GLN A 3 38.703 -1.585 -7.852 1.00 43.20 H new ATOM 0 HE22 GLN A 3 40.156 -2.025 -6.946 1.00 43.20 H new ATOM 41 N GLY A 4 36.839 3.659 -6.994 1.00 4.21 N ATOM 42 CA GLY A 4 36.716 4.719 -6.010 1.00 13.13 C ATOM 43 C GLY A 4 36.091 4.243 -4.711 1.00 31.33 C ATOM 44 O GLY A 4 36.685 4.447 -3.649 1.00 35.25 O ATOM 0 H GLY A 4 36.313 2.815 -6.768 1.00 4.21 H new ATOM 0 HA2 GLY A 4 37.703 5.133 -5.803 1.00 13.13 H new ATOM 0 HA3 GLY A 4 36.112 5.526 -6.425 1.00 13.13 H new ATOM 48 N VAL A 5 34.913 3.624 -4.777 1.00 62.41 N ATOM 49 CA VAL A 5 34.144 3.198 -3.613 1.00 33.25 C ATOM 50 C VAL A 5 33.679 1.763 -3.869 1.00 24.45 C ATOM 51 O VAL A 5 33.217 1.440 -4.969 1.00 61.51 O ATOM 52 CB VAL A 5 32.984 4.177 -3.320 1.00 13.33 C ATOM 53 CG1 VAL A 5 32.419 3.922 -1.914 1.00 51.34 C ATOM 54 CG2 VAL A 5 33.400 5.658 -3.385 1.00 33.32 C ATOM 0 H VAL A 5 34.458 3.401 -5.662 1.00 62.41 H new ATOM 0 HA VAL A 5 34.757 3.213 -2.711 1.00 33.25 H new ATOM 0 HB VAL A 5 32.242 3.992 -4.097 1.00 13.33 H new ATOM 0 HG11 VAL A 5 31.603 4.617 -1.718 1.00 51.34 H new ATOM 0 HG12 VAL A 5 32.048 2.899 -1.851 1.00 51.34 H new ATOM 0 HG13 VAL A 5 33.206 4.069 -1.174 1.00 51.34 H new ATOM 0 HG21 VAL A 5 32.537 6.288 -3.169 1.00 33.32 H new ATOM 0 HG22 VAL A 5 34.182 5.849 -2.650 1.00 33.32 H new ATOM 0 HG23 VAL A 5 33.776 5.887 -4.382 1.00 33.32 H new ATOM 64 N LEU A 6 33.906 0.887 -2.887 1.00 61.13 N ATOM 65 CA LEU A 6 33.719 -0.557 -2.966 1.00 0.25 C ATOM 66 C LEU A 6 33.448 -1.183 -1.584 1.00 55.24 C ATOM 67 O LEU A 6 33.753 -2.357 -1.359 1.00 22.34 O ATOM 68 CB LEU A 6 34.905 -1.195 -3.722 1.00 2.05 C ATOM 69 CG LEU A 6 36.361 -0.898 -3.290 1.00 71.41 C ATOM 70 CD1 LEU A 6 36.902 0.407 -3.896 1.00 22.53 C ATOM 71 CD2 LEU A 6 36.582 -0.849 -1.777 1.00 64.34 C ATOM 0 H LEU A 6 34.242 1.184 -1.971 1.00 61.13 H new ATOM 0 HA LEU A 6 32.819 -0.771 -3.542 1.00 0.25 H new ATOM 0 HB2 LEU A 6 34.770 -2.276 -3.679 1.00 2.05 H new ATOM 0 HB3 LEU A 6 34.814 -0.904 -4.768 1.00 2.05 H new ATOM 0 HG LEU A 6 36.912 -1.753 -3.682 1.00 71.41 H new ATOM 0 HD11 LEU A 6 37.927 0.567 -3.560 1.00 22.53 H new ATOM 0 HD12 LEU A 6 36.883 0.338 -4.984 1.00 22.53 H new ATOM 0 HD13 LEU A 6 36.280 1.243 -3.574 1.00 22.53 H new ATOM 0 HD21 LEU A 6 37.630 -0.635 -1.569 1.00 64.34 H new ATOM 0 HD22 LEU A 6 35.959 -0.066 -1.344 1.00 64.34 H new ATOM 0 HD23 LEU A 6 36.314 -1.810 -1.339 1.00 64.34 H new ATOM 82 N ALA A 7 32.932 -0.392 -0.637 1.00 31.43 N ATOM 83 CA ALA A 7 32.637 -0.799 0.737 1.00 74.22 C ATOM 84 C ALA A 7 31.122 -0.975 0.928 1.00 15.21 C ATOM 85 O ALA A 7 30.357 -0.866 -0.030 1.00 34.52 O ATOM 86 CB ALA A 7 33.235 0.232 1.704 1.00 74.24 C ATOM 0 H ALA A 7 32.701 0.585 -0.815 1.00 31.43 H new ATOM 0 HA ALA A 7 33.093 -1.766 0.951 1.00 74.22 H new ATOM 0 HB1 ALA A 7 33.019 -0.064 2.731 1.00 74.24 H new ATOM 0 HB2 ALA A 7 34.314 0.283 1.560 1.00 74.24 H new ATOM 0 HB3 ALA A 7 32.797 1.211 1.509 1.00 74.24 H new ATOM 92 N SER A 8 30.683 -1.261 2.154 1.00 13.44 N ATOM 93 CA SER A 8 29.283 -1.424 2.522 1.00 62.50 C ATOM 94 C SER A 8 29.115 -0.824 3.913 1.00 40.20 C ATOM 95 O SER A 8 29.614 -1.384 4.893 1.00 22.55 O ATOM 96 CB SER A 8 28.930 -2.916 2.468 1.00 4.23 C ATOM 97 OG SER A 8 27.540 -3.159 2.606 1.00 33.31 O ATOM 0 H SER A 8 31.317 -1.389 2.943 1.00 13.44 H new ATOM 0 HA SER A 8 28.604 -0.913 1.839 1.00 62.50 H new ATOM 0 HB2 SER A 8 29.274 -3.332 1.521 1.00 4.23 H new ATOM 0 HB3 SER A 8 29.466 -3.440 3.260 1.00 4.23 H new ATOM 0 HG SER A 8 27.371 -4.123 2.563 1.00 33.31 H new ATOM 102 N GLN A 9 28.463 0.335 4.008 1.00 41.34 N ATOM 103 CA GLN A 9 28.300 1.090 5.244 1.00 50.34 C ATOM 104 C GLN A 9 26.832 1.497 5.358 1.00 3.01 C ATOM 105 O GLN A 9 26.314 2.154 4.454 1.00 74.53 O ATOM 106 CB GLN A 9 29.251 2.295 5.212 1.00 45.20 C ATOM 107 CG GLN A 9 29.363 2.998 6.573 1.00 43.04 C ATOM 108 CD GLN A 9 30.282 4.221 6.508 1.00 54.01 C ATOM 109 OE1 GLN A 9 31.139 4.349 5.640 1.00 23.15 O ATOM 110 NE2 GLN A 9 30.123 5.167 7.418 1.00 5.05 N ATOM 0 H GLN A 9 28.023 0.784 3.205 1.00 41.34 H new ATOM 0 HA GLN A 9 28.555 0.499 6.124 1.00 50.34 H new ATOM 0 HB2 GLN A 9 30.240 1.964 4.896 1.00 45.20 H new ATOM 0 HB3 GLN A 9 28.901 3.009 4.467 1.00 45.20 H new ATOM 0 HG2 GLN A 9 28.372 3.306 6.906 1.00 43.04 H new ATOM 0 HG3 GLN A 9 29.744 2.296 7.314 1.00 43.04 H new ATOM 0 HE21 GLN A 9 29.411 5.064 8.141 1.00 5.05 H new ATOM 0 HE22 GLN A 9 30.712 6.000 7.396 1.00 5.05 H new ATOM 117 N ALA A 10 26.156 1.093 6.434 1.00 45.14 N ATOM 118 CA ALA A 10 24.729 1.316 6.642 1.00 52.11 C ATOM 119 C ALA A 10 24.466 2.526 7.537 1.00 3.32 C ATOM 120 O ALA A 10 25.346 2.957 8.287 1.00 14.43 O ATOM 121 CB ALA A 10 24.125 0.064 7.278 1.00 23.41 C ATOM 0 H ALA A 10 26.599 0.589 7.203 1.00 45.14 H new ATOM 0 HA ALA A 10 24.267 1.518 5.676 1.00 52.11 H new ATOM 0 HB1 ALA A 10 23.058 0.217 7.439 1.00 23.41 H new ATOM 0 HB2 ALA A 10 24.274 -0.789 6.615 1.00 23.41 H new ATOM 0 HB3 ALA A 10 24.612 -0.130 8.234 1.00 23.41 H new ATOM 127 N LEU A 11 23.225 3.023 7.523 1.00 54.32 N ATOM 128 CA LEU A 11 22.764 4.137 8.349 1.00 12.01 C ATOM 129 C LEU A 11 21.430 3.797 9.015 1.00 73.10 C ATOM 130 O LEU A 11 20.762 2.833 8.629 1.00 72.32 O ATOM 131 CB LEU A 11 22.651 5.418 7.487 1.00 22.51 C ATOM 132 CG LEU A 11 23.446 6.627 8.011 1.00 25.35 C ATOM 133 CD1 LEU A 11 23.035 7.030 9.433 1.00 62.24 C ATOM 134 CD2 LEU A 11 24.953 6.373 7.951 1.00 3.11 C ATOM 0 H LEU A 11 22.494 2.648 6.918 1.00 54.32 H new ATOM 0 HA LEU A 11 23.491 4.318 9.141 1.00 12.01 H new ATOM 0 HB2 LEU A 11 22.991 5.189 6.477 1.00 22.51 H new ATOM 0 HB3 LEU A 11 21.600 5.697 7.414 1.00 22.51 H new ATOM 0 HG LEU A 11 23.203 7.459 7.350 1.00 25.35 H new ATOM 0 HD11 LEU A 11 23.627 7.888 9.754 1.00 62.24 H new ATOM 0 HD12 LEU A 11 21.977 7.294 9.445 1.00 62.24 H new ATOM 0 HD13 LEU A 11 23.208 6.195 10.112 1.00 62.24 H new ATOM 0 HD21 LEU A 11 25.485 7.247 8.328 1.00 3.11 H new ATOM 0 HD22 LEU A 11 25.200 5.505 8.563 1.00 3.11 H new ATOM 0 HD23 LEU A 11 25.250 6.186 6.919 1.00 3.11 H new ATOM 145 N SER A 12 21.030 4.617 9.986 1.00 12.41 N ATOM 146 CA SER A 12 19.793 4.517 10.752 1.00 11.24 C ATOM 147 C SER A 12 19.250 5.916 11.044 1.00 45.23 C ATOM 148 O SER A 12 18.932 6.245 12.190 1.00 13.11 O ATOM 149 CB SER A 12 20.051 3.724 12.037 1.00 25.54 C ATOM 150 OG SER A 12 20.324 2.372 11.737 1.00 23.25 O ATOM 0 H SER A 12 21.596 5.415 10.274 1.00 12.41 H new ATOM 0 HA SER A 12 19.037 3.984 10.175 1.00 11.24 H new ATOM 0 HB2 SER A 12 20.891 4.160 12.578 1.00 25.54 H new ATOM 0 HB3 SER A 12 19.182 3.789 12.692 1.00 25.54 H new ATOM 0 HG SER A 12 20.488 1.879 12.568 1.00 23.25 H new ATOM 155 N GLN A 13 19.173 6.777 10.031 1.00 44.40 N ATOM 156 CA GLN A 13 18.534 8.079 10.138 1.00 52.42 C ATOM 157 C GLN A 13 17.936 8.392 8.769 1.00 62.44 C ATOM 158 O GLN A 13 18.549 8.056 7.747 1.00 11.42 O ATOM 159 CB GLN A 13 19.578 9.129 10.579 1.00 5.13 C ATOM 160 CG GLN A 13 18.973 10.338 11.315 1.00 30.13 C ATOM 161 CD GLN A 13 18.512 10.091 12.762 1.00 24.15 C ATOM 162 OE1 GLN A 13 18.119 11.028 13.452 1.00 54.42 O ATOM 163 NE2 GLN A 13 18.523 8.872 13.280 1.00 43.14 N ATOM 0 H GLN A 13 19.557 6.585 9.106 1.00 44.40 H new ATOM 0 HA GLN A 13 17.743 8.091 10.887 1.00 52.42 H new ATOM 0 HB2 GLN A 13 20.310 8.649 11.229 1.00 5.13 H new ATOM 0 HB3 GLN A 13 20.117 9.483 9.700 1.00 5.13 H new ATOM 0 HG2 GLN A 13 19.712 11.139 11.323 1.00 30.13 H new ATOM 0 HG3 GLN A 13 18.119 10.697 10.740 1.00 30.13 H new ATOM 0 HE21 GLN A 13 18.846 8.083 12.720 1.00 43.14 H new ATOM 0 HE22 GLN A 13 18.208 8.722 14.239 1.00 43.14 H new ATOM 170 N GLY A 14 16.775 9.049 8.740 1.00 62.53 N ATOM 171 CA GLY A 14 16.112 9.507 7.532 1.00 64.31 C ATOM 172 C GLY A 14 16.230 11.023 7.484 1.00 72.20 C ATOM 173 O GLY A 14 17.304 11.570 7.747 1.00 42.20 O ATOM 0 H GLY A 14 16.259 9.281 9.588 1.00 62.53 H new ATOM 0 HA2 GLY A 14 16.572 9.060 6.651 1.00 64.31 H new ATOM 0 HA3 GLY A 14 15.065 9.205 7.533 1.00 64.31 H new ATOM 177 N SER A 15 15.130 11.692 7.161 1.00 45.21 N ATOM 178 CA SER A 15 14.972 13.131 7.185 1.00 61.14 C ATOM 179 C SER A 15 13.481 13.366 7.450 1.00 65.54 C ATOM 180 O SER A 15 12.644 12.476 7.255 1.00 32.35 O ATOM 181 CB SER A 15 15.419 13.736 5.852 1.00 21.45 C ATOM 182 OG SER A 15 15.823 15.077 6.006 1.00 71.02 O ATOM 0 H SER A 15 14.281 11.214 6.860 1.00 45.21 H new ATOM 0 HA SER A 15 15.584 13.608 7.950 1.00 61.14 H new ATOM 0 HB2 SER A 15 16.243 13.151 5.443 1.00 21.45 H new ATOM 0 HB3 SER A 15 14.601 13.681 5.133 1.00 21.45 H new ATOM 0 HG SER A 15 16.104 15.436 5.138 1.00 71.02 H new ATOM 187 N GLU A 16 13.155 14.529 7.984 1.00 62.51 N ATOM 188 CA GLU A 16 11.805 14.911 8.413 1.00 74.34 C ATOM 189 C GLU A 16 11.036 15.573 7.265 1.00 31.15 C ATOM 190 O GLU A 16 11.671 16.055 6.323 1.00 3.45 O ATOM 191 CB GLU A 16 11.891 15.869 9.602 1.00 1.24 C ATOM 192 CG GLU A 16 12.403 15.151 10.848 1.00 41.11 C ATOM 193 CD GLU A 16 12.358 16.095 12.038 1.00 24.32 C ATOM 194 OE1 GLU A 16 13.228 16.998 12.116 1.00 64.52 O ATOM 195 OE2 GLU A 16 11.462 15.920 12.892 1.00 62.34 O ATOM 0 H GLU A 16 13.842 15.266 8.140 1.00 62.51 H new ATOM 0 HA GLU A 16 11.269 14.010 8.711 1.00 74.34 H new ATOM 0 HB2 GLU A 16 12.554 16.699 9.358 1.00 1.24 H new ATOM 0 HB3 GLU A 16 10.908 16.295 9.802 1.00 1.24 H new ATOM 0 HG2 GLU A 16 11.794 14.269 11.048 1.00 41.11 H new ATOM 0 HG3 GLU A 16 13.423 14.803 10.686 1.00 41.11 H new ATOM 200 N PRO A 17 9.691 15.606 7.299 1.00 24.15 N ATOM 201 CA PRO A 17 8.904 16.181 6.214 1.00 32.41 C ATOM 202 C PRO A 17 8.772 17.704 6.330 1.00 53.12 C ATOM 203 O PRO A 17 8.822 18.254 7.433 1.00 30.12 O ATOM 204 CB PRO A 17 7.538 15.506 6.326 1.00 2.15 C ATOM 205 CG PRO A 17 7.385 15.296 7.833 1.00 72.11 C ATOM 206 CD PRO A 17 8.814 14.975 8.280 1.00 33.14 C ATOM 0 HA PRO A 17 9.380 16.011 5.249 1.00 32.41 H new ATOM 0 HB2 PRO A 17 6.743 16.133 5.922 1.00 2.15 H new ATOM 0 HB3 PRO A 17 7.507 14.562 5.781 1.00 2.15 H new ATOM 0 HG2 PRO A 17 6.997 16.187 8.328 1.00 72.11 H new ATOM 0 HG3 PRO A 17 6.698 14.481 8.060 1.00 72.11 H new ATOM 0 HD2 PRO A 17 9.006 15.361 9.281 1.00 33.14 H new ATOM 0 HD3 PRO A 17 8.979 13.898 8.316 1.00 33.14 H new ATOM 211 N SER A 18 8.527 18.376 5.205 1.00 10.25 N ATOM 212 CA SER A 18 8.430 19.830 5.080 1.00 61.11 C ATOM 213 C SER A 18 6.984 20.324 5.237 1.00 4.24 C ATOM 214 O SER A 18 6.545 21.232 4.533 1.00 62.32 O ATOM 215 CB SER A 18 9.068 20.241 3.740 1.00 1.54 C ATOM 216 OG SER A 18 8.814 19.315 2.688 1.00 31.14 O ATOM 0 H SER A 18 8.384 17.899 4.315 1.00 10.25 H new ATOM 0 HA SER A 18 8.977 20.312 5.890 1.00 61.11 H new ATOM 0 HB2 SER A 18 8.690 21.222 3.451 1.00 1.54 H new ATOM 0 HB3 SER A 18 10.145 20.342 3.874 1.00 1.54 H new ATOM 0 HG SER A 18 9.242 19.630 1.864 1.00 31.14 H new ATOM 221 N SER A 19 6.186 19.688 6.102 1.00 23.44 N ATOM 222 CA SER A 19 4.733 19.855 6.211 1.00 31.41 C ATOM 223 C SER A 19 3.945 19.482 4.944 1.00 43.12 C ATOM 224 O SER A 19 2.712 19.455 5.004 1.00 50.43 O ATOM 225 CB SER A 19 4.358 21.283 6.647 1.00 24.23 C ATOM 226 OG SER A 19 4.912 21.630 7.899 1.00 3.35 O ATOM 0 H SER A 19 6.552 19.014 6.774 1.00 23.44 H new ATOM 0 HA SER A 19 4.439 19.141 6.980 1.00 31.41 H new ATOM 0 HB2 SER A 19 4.701 21.991 5.893 1.00 24.23 H new ATOM 0 HB3 SER A 19 3.273 21.371 6.697 1.00 24.23 H new ATOM 0 HG SER A 19 4.648 22.545 8.132 1.00 3.35 H new ATOM 231 N GLU A 20 4.584 19.178 3.814 1.00 31.12 N ATOM 232 CA GLU A 20 3.882 18.897 2.572 1.00 34.01 C ATOM 233 C GLU A 20 3.101 17.572 2.685 1.00 63.42 C ATOM 234 O GLU A 20 3.361 16.746 3.570 1.00 45.51 O ATOM 235 CB GLU A 20 4.879 18.938 1.392 1.00 45.30 C ATOM 236 CG GLU A 20 4.130 19.219 0.081 1.00 50.33 C ATOM 237 CD GLU A 20 5.027 19.395 -1.149 1.00 22.14 C ATOM 238 OE1 GLU A 20 5.423 18.379 -1.769 1.00 3.43 O ATOM 239 OE2 GLU A 20 5.202 20.552 -1.596 1.00 52.41 O ATOM 0 H GLU A 20 5.600 19.121 3.739 1.00 31.12 H new ATOM 0 HA GLU A 20 3.135 19.666 2.375 1.00 34.01 H new ATOM 0 HB2 GLU A 20 5.628 19.710 1.565 1.00 45.30 H new ATOM 0 HB3 GLU A 20 5.410 17.989 1.321 1.00 45.30 H new ATOM 0 HG2 GLU A 20 3.437 18.399 -0.107 1.00 50.33 H new ATOM 0 HG3 GLU A 20 3.531 20.121 0.208 1.00 50.33 H new ATOM 244 N ASN A 21 2.150 17.371 1.769 1.00 5.41 N ATOM 245 CA ASN A 21 1.387 16.147 1.529 1.00 4.33 C ATOM 246 C ASN A 21 0.742 15.623 2.813 1.00 45.22 C ATOM 247 O ASN A 21 0.991 14.499 3.248 1.00 64.34 O ATOM 248 CB ASN A 21 2.248 15.115 0.775 1.00 25.42 C ATOM 249 CG ASN A 21 2.787 15.699 -0.526 1.00 23.13 C ATOM 250 OD1 ASN A 21 2.013 16.082 -1.402 1.00 3.13 O ATOM 251 ND2 ASN A 21 4.092 15.900 -0.632 1.00 70.12 N ATOM 0 H ASN A 21 1.874 18.116 1.129 1.00 5.41 H new ATOM 0 HA ASN A 21 0.546 16.371 0.872 1.00 4.33 H new ATOM 0 HB2 ASN A 21 3.078 14.798 1.407 1.00 25.42 H new ATOM 0 HB3 ASN A 21 1.653 14.227 0.560 1.00 25.42 H new ATOM 0 HD21 ASN A 21 4.469 16.379 -1.450 1.00 70.12 H new ATOM 0 HD22 ASN A 21 4.719 15.576 0.104 1.00 70.12 H new ATOM 257 N ALA A 22 -0.083 16.461 3.449 1.00 44.13 N ATOM 258 CA ALA A 22 -0.940 16.075 4.560 1.00 14.51 C ATOM 259 C ALA A 22 -2.009 15.135 4.040 1.00 31.25 C ATOM 260 O ALA A 22 -2.953 15.573 3.376 1.00 71.01 O ATOM 261 CB ALA A 22 -1.597 17.287 5.229 1.00 53.21 C ATOM 0 H ALA A 22 -0.171 17.445 3.196 1.00 44.13 H new ATOM 0 HA ALA A 22 -0.326 15.584 5.315 1.00 14.51 H new ATOM 0 HB1 ALA A 22 -2.227 16.951 6.052 1.00 53.21 H new ATOM 0 HB2 ALA A 22 -0.825 17.954 5.612 1.00 53.21 H new ATOM 0 HB3 ALA A 22 -2.207 17.819 4.499 1.00 53.21 H new ATOM 267 N ASN A 23 -1.844 13.850 4.324 1.00 33.23 N ATOM 268 CA ASN A 23 -2.803 12.798 4.063 1.00 74.41 C ATOM 269 C ASN A 23 -2.460 11.629 4.997 1.00 74.42 C ATOM 270 O ASN A 23 -1.645 11.787 5.911 1.00 51.20 O ATOM 271 CB ASN A 23 -2.757 12.457 2.561 1.00 2.55 C ATOM 272 CG ASN A 23 -3.866 11.529 2.068 1.00 61.23 C ATOM 273 OD1 ASN A 23 -5.007 11.441 2.730 1.00 23.01 O flip ATOM 274 ND2 ASN A 23 -3.680 10.856 1.062 1.00 74.13 N flip ATOM 0 H ASN A 23 -0.993 13.501 4.765 1.00 33.23 H new ATOM 0 HA ASN A 23 -3.833 13.086 4.272 1.00 74.41 H new ATOM 0 HB2 ASN A 23 -2.804 13.386 1.993 1.00 2.55 H new ATOM 0 HB3 ASN A 23 -1.795 11.996 2.339 1.00 2.55 H new ATOM 0 HD21 ASN A 23 -2.797 10.929 0.556 1.00 74.13 H new ATOM 0 HD22 ASN A 23 -4.408 10.223 0.730 1.00 74.13 H new ATOM 280 N ASP A 24 -3.087 10.483 4.774 1.00 34.02 N ATOM 281 CA ASP A 24 -3.150 9.299 5.606 1.00 50.51 C ATOM 282 C ASP A 24 -2.812 8.161 4.671 1.00 62.44 C ATOM 283 O ASP A 24 -3.615 7.774 3.829 1.00 61.31 O ATOM 284 CB ASP A 24 -4.513 9.148 6.307 1.00 73.40 C ATOM 285 CG ASP A 24 -5.700 9.880 5.639 1.00 62.11 C ATOM 286 OD1 ASP A 24 -5.756 11.135 5.686 1.00 50.50 O ATOM 287 OD2 ASP A 24 -6.682 9.237 5.207 1.00 53.21 O ATOM 0 H ASP A 24 -3.619 10.350 3.914 1.00 34.02 H new ATOM 0 HA ASP A 24 -2.451 9.337 6.441 1.00 50.51 H new ATOM 0 HB2 ASP A 24 -4.753 8.087 6.367 1.00 73.40 H new ATOM 0 HB3 ASP A 24 -4.416 9.512 7.330 1.00 73.40 H new ATOM 291 N THR A 25 -1.558 7.731 4.740 1.00 54.20 N ATOM 292 CA THR A 25 -0.937 6.754 3.864 1.00 3.12 C ATOM 293 C THR A 25 0.218 6.151 4.669 1.00 5.02 C ATOM 294 O THR A 25 0.844 6.854 5.467 1.00 45.01 O ATOM 295 CB THR A 25 -0.447 7.480 2.595 1.00 73.20 C ATOM 296 OG1 THR A 25 -1.473 8.267 2.016 1.00 10.33 O ATOM 297 CG2 THR A 25 0.028 6.519 1.511 1.00 62.12 C ATOM 0 H THR A 25 -0.913 8.077 5.451 1.00 54.20 H new ATOM 0 HA THR A 25 -1.615 5.964 3.542 1.00 3.12 H new ATOM 0 HB THR A 25 0.383 8.100 2.932 1.00 73.20 H new ATOM 0 HG1 THR A 25 -1.129 8.715 1.215 1.00 10.33 H new ATOM 0 HG21 THR A 25 0.361 7.087 0.642 1.00 62.12 H new ATOM 0 HG22 THR A 25 0.855 5.921 1.892 1.00 62.12 H new ATOM 0 HG23 THR A 25 -0.792 5.862 1.222 1.00 62.12 H new ATOM 305 N ILE A 26 0.478 4.854 4.509 1.00 32.22 N ATOM 306 CA ILE A 26 1.525 4.147 5.251 1.00 54.13 C ATOM 307 C ILE A 26 2.747 3.979 4.338 1.00 22.12 C ATOM 308 O ILE A 26 2.587 3.954 3.117 1.00 73.10 O ATOM 309 CB ILE A 26 0.897 2.837 5.766 1.00 34.14 C ATOM 310 CG1 ILE A 26 -0.033 3.138 6.959 1.00 73.32 C ATOM 311 CG2 ILE A 26 1.928 1.774 6.150 1.00 53.30 C ATOM 312 CD1 ILE A 26 -1.131 2.084 7.083 1.00 11.12 C ATOM 0 H ILE A 26 -0.034 4.259 3.857 1.00 32.22 H new ATOM 0 HA ILE A 26 1.895 4.688 6.122 1.00 54.13 H new ATOM 0 HB ILE A 26 0.324 2.418 4.939 1.00 34.14 H new ATOM 0 HG12 ILE A 26 0.550 3.169 7.879 1.00 73.32 H new ATOM 0 HG13 ILE A 26 -0.483 4.123 6.833 1.00 73.32 H new ATOM 0 HG21 ILE A 26 1.414 0.880 6.503 1.00 53.30 H new ATOM 0 HG22 ILE A 26 2.534 1.524 5.279 1.00 53.30 H new ATOM 0 HG23 ILE A 26 2.571 2.160 6.941 1.00 53.30 H new ATOM 0 HD11 ILE A 26 -1.771 2.323 7.933 1.00 11.12 H new ATOM 0 HD12 ILE A 26 -1.728 2.072 6.171 1.00 11.12 H new ATOM 0 HD13 ILE A 26 -0.679 1.104 7.234 1.00 11.12 H new ATOM 323 N ILE A 27 3.953 3.861 4.910 1.00 42.42 N ATOM 324 CA ILE A 27 5.183 3.591 4.164 1.00 51.04 C ATOM 325 C ILE A 27 5.719 2.227 4.628 1.00 53.23 C ATOM 326 O ILE A 27 5.351 1.747 5.701 1.00 21.44 O ATOM 327 CB ILE A 27 6.155 4.790 4.342 1.00 73.22 C ATOM 328 CG1 ILE A 27 7.231 4.923 3.241 1.00 65.32 C ATOM 329 CG2 ILE A 27 6.835 4.821 5.715 1.00 10.45 C ATOM 330 CD1 ILE A 27 6.696 5.697 2.035 1.00 3.34 C ATOM 0 H ILE A 27 4.100 3.952 5.915 1.00 42.42 H new ATOM 0 HA ILE A 27 5.027 3.511 3.088 1.00 51.04 H new ATOM 0 HB ILE A 27 5.490 5.649 4.253 1.00 73.22 H new ATOM 0 HG12 ILE A 27 8.106 5.432 3.644 1.00 65.32 H new ATOM 0 HG13 ILE A 27 7.556 3.932 2.925 1.00 65.32 H new ATOM 0 HG21 ILE A 27 7.500 5.683 5.772 1.00 10.45 H new ATOM 0 HG22 ILE A 27 6.077 4.895 6.495 1.00 10.45 H new ATOM 0 HG23 ILE A 27 7.412 3.907 5.856 1.00 10.45 H new ATOM 0 HD11 ILE A 27 7.476 5.774 1.277 1.00 3.34 H new ATOM 0 HD12 ILE A 27 5.836 5.173 1.619 1.00 3.34 H new ATOM 0 HD13 ILE A 27 6.395 6.696 2.349 1.00 3.34 H new ATOM 341 N LEU A 28 6.584 1.593 3.841 1.00 25.41 N ATOM 342 CA LEU A 28 7.353 0.412 4.232 1.00 52.00 C ATOM 343 C LEU A 28 8.817 0.765 4.067 1.00 64.54 C ATOM 344 O LEU A 28 9.153 1.500 3.133 1.00 72.21 O ATOM 345 CB LEU A 28 7.060 -0.809 3.343 1.00 43.02 C ATOM 346 CG LEU A 28 5.653 -1.423 3.372 1.00 43.44 C ATOM 347 CD1 LEU A 28 5.109 -1.680 4.779 1.00 54.31 C ATOM 348 CD2 LEU A 28 4.653 -0.595 2.563 1.00 63.54 C ATOM 0 H LEU A 28 6.776 1.894 2.886 1.00 25.41 H new ATOM 0 HA LEU A 28 7.085 0.147 5.255 1.00 52.00 H new ATOM 0 HB2 LEU A 28 7.276 -0.527 2.313 1.00 43.02 H new ATOM 0 HB3 LEU A 28 7.768 -1.592 3.614 1.00 43.02 H new ATOM 0 HG LEU A 28 5.770 -2.400 2.902 1.00 43.44 H new ATOM 0 HD11 LEU A 28 4.112 -2.114 4.710 1.00 54.31 H new ATOM 0 HD12 LEU A 28 5.769 -2.370 5.304 1.00 54.31 H new ATOM 0 HD13 LEU A 28 5.058 -0.739 5.327 1.00 54.31 H new ATOM 0 HD21 LEU A 28 3.670 -1.064 2.610 1.00 63.54 H new ATOM 0 HD22 LEU A 28 4.595 0.412 2.977 1.00 63.54 H new ATOM 0 HD23 LEU A 28 4.981 -0.542 1.525 1.00 63.54 H new ATOM 359 N ARG A 29 9.691 0.217 4.911 1.00 30.31 N ATOM 360 CA ARG A 29 11.127 0.501 4.879 1.00 62.14 C ATOM 361 C ARG A 29 11.899 -0.812 4.847 1.00 22.32 C ATOM 362 O ARG A 29 11.344 -1.853 5.199 1.00 63.32 O ATOM 363 CB ARG A 29 11.536 1.371 6.086 1.00 43.01 C ATOM 364 CG ARG A 29 10.582 2.548 6.382 1.00 64.40 C ATOM 365 CD ARG A 29 11.031 3.390 7.588 1.00 71.52 C ATOM 366 NE ARG A 29 10.635 2.803 8.885 1.00 41.02 N ATOM 367 CZ ARG A 29 11.098 3.167 10.092 1.00 71.21 C ATOM 368 NH1 ARG A 29 12.021 4.111 10.220 1.00 41.11 N ATOM 369 NH2 ARG A 29 10.628 2.568 11.177 1.00 41.32 N ATOM 0 H ARG A 29 9.421 -0.441 5.642 1.00 30.31 H new ATOM 0 HA ARG A 29 11.367 1.067 3.979 1.00 62.14 H new ATOM 0 HB2 ARG A 29 11.595 0.737 6.971 1.00 43.01 H new ATOM 0 HB3 ARG A 29 12.536 1.767 5.910 1.00 43.01 H new ATOM 0 HG2 ARG A 29 10.518 3.188 5.502 1.00 64.40 H new ATOM 0 HG3 ARG A 29 9.581 2.160 6.568 1.00 64.40 H new ATOM 0 HD2 ARG A 29 12.115 3.501 7.562 1.00 71.52 H new ATOM 0 HD3 ARG A 29 10.606 4.390 7.504 1.00 71.52 H new ATOM 0 HE ARG A 29 9.946 2.051 8.861 1.00 41.02 H new ATOM 0 HH11 ARG A 29 12.393 4.576 9.392 1.00 41.11 H new ATOM 0 HH12 ARG A 29 12.359 4.372 11.146 1.00 41.11 H new ATOM 0 HH21 ARG A 29 9.921 1.838 11.091 1.00 41.32 H new ATOM 0 HH22 ARG A 29 10.973 2.837 12.098 1.00 41.32 H new ATOM 380 N ASN A 30 13.172 -0.759 4.458 1.00 42.03 N ATOM 381 CA ASN A 30 14.101 -1.890 4.329 1.00 24.24 C ATOM 382 C ASN A 30 13.630 -2.919 3.304 1.00 21.12 C ATOM 383 O ASN A 30 13.396 -4.096 3.597 1.00 14.34 O ATOM 384 CB ASN A 30 14.420 -2.545 5.676 1.00 32.13 C ATOM 385 CG ASN A 30 15.684 -3.399 5.569 1.00 62.10 C ATOM 386 OD1 ASN A 30 16.741 -2.919 5.167 1.00 40.02 O ATOM 387 ND2 ASN A 30 15.635 -4.672 5.912 1.00 40.02 N ATOM 0 H ASN A 30 13.613 0.126 4.209 1.00 42.03 H new ATOM 0 HA ASN A 30 15.033 -1.468 3.952 1.00 24.24 H new ATOM 0 HB2 ASN A 30 14.556 -1.777 6.438 1.00 32.13 H new ATOM 0 HB3 ASN A 30 13.581 -3.164 5.994 1.00 32.13 H new ATOM 0 HD21 ASN A 30 16.472 -5.251 5.843 1.00 40.02 H new ATOM 0 HD22 ASN A 30 14.761 -5.077 6.247 1.00 40.02 H new ATOM 393 N LEU A 31 13.491 -2.464 2.065 1.00 60.23 N ATOM 394 CA LEU A 31 13.238 -3.324 0.920 1.00 40.33 C ATOM 395 C LEU A 31 14.495 -3.353 0.078 1.00 2.05 C ATOM 396 O LEU A 31 15.466 -2.639 0.324 1.00 72.11 O ATOM 397 CB LEU A 31 12.002 -2.904 0.092 1.00 2.45 C ATOM 398 CG LEU A 31 10.702 -2.871 0.908 1.00 23.55 C ATOM 399 CD1 LEU A 31 10.674 -1.713 1.878 1.00 43.40 C ATOM 400 CD2 LEU A 31 9.475 -2.761 0.009 1.00 21.14 C ATOM 0 H LEU A 31 13.552 -1.474 1.826 1.00 60.23 H new ATOM 0 HA LEU A 31 12.995 -4.323 1.281 1.00 40.33 H new ATOM 0 HB2 LEU A 31 12.179 -1.917 -0.335 1.00 2.45 H new ATOM 0 HB3 LEU A 31 11.881 -3.595 -0.742 1.00 2.45 H new ATOM 0 HG LEU A 31 10.675 -3.811 1.459 1.00 23.55 H new ATOM 0 HD11 LEU A 31 9.737 -1.727 2.435 1.00 43.40 H new ATOM 0 HD12 LEU A 31 11.510 -1.800 2.572 1.00 43.40 H new ATOM 0 HD13 LEU A 31 10.755 -0.776 1.328 1.00 43.40 H new ATOM 0 HD21 LEU A 31 8.575 -2.740 0.623 1.00 21.14 H new ATOM 0 HD22 LEU A 31 9.535 -1.844 -0.578 1.00 21.14 H new ATOM 0 HD23 LEU A 31 9.437 -3.619 -0.662 1.00 21.14 H new ATOM 411 N ASN A 32 14.426 -4.171 -0.954 1.00 75.11 N ATOM 412 CA ASN A 32 15.450 -4.289 -1.993 1.00 73.33 C ATOM 413 C ASN A 32 14.888 -3.963 -3.370 1.00 15.23 C ATOM 414 O ASN A 32 13.670 -4.037 -3.559 1.00 13.41 O ATOM 415 CB ASN A 32 16.089 -5.687 -1.995 1.00 2.34 C ATOM 416 CG ASN A 32 15.141 -6.848 -1.804 1.00 75.53 C ATOM 417 OD1 ASN A 32 13.987 -6.778 -2.181 1.00 21.43 O ATOM 418 ND2 ASN A 32 15.603 -7.901 -1.172 1.00 44.20 N ATOM 0 H ASN A 32 13.633 -4.795 -1.104 1.00 75.11 H new ATOM 0 HA ASN A 32 16.225 -3.559 -1.761 1.00 73.33 H new ATOM 0 HB2 ASN A 32 16.614 -5.824 -2.941 1.00 2.34 H new ATOM 0 HB3 ASN A 32 16.840 -5.723 -1.206 1.00 2.34 H new ATOM 0 HD21 ASN A 32 14.988 -8.693 -0.984 1.00 44.20 H new ATOM 0 HD22 ASN A 32 16.577 -7.928 -0.869 1.00 44.20 H new ATOM 424 N PRO A 33 15.756 -3.658 -4.356 1.00 21.31 N ATOM 425 CA PRO A 33 15.342 -3.429 -5.735 1.00 21.44 C ATOM 426 C PRO A 33 14.553 -4.606 -6.311 1.00 33.42 C ATOM 427 O PRO A 33 13.678 -4.384 -7.147 1.00 43.10 O ATOM 428 CB PRO A 33 16.619 -3.125 -6.533 1.00 12.45 C ATOM 429 CG PRO A 33 17.761 -3.585 -5.634 1.00 2.01 C ATOM 430 CD PRO A 33 17.191 -3.421 -4.230 1.00 20.34 C ATOM 0 HA PRO A 33 14.651 -2.588 -5.793 1.00 21.44 H new ATOM 0 HB2 PRO A 33 16.626 -3.657 -7.485 1.00 12.45 H new ATOM 0 HB3 PRO A 33 16.699 -2.062 -6.761 1.00 12.45 H new ATOM 0 HG2 PRO A 33 18.041 -4.619 -5.836 1.00 2.01 H new ATOM 0 HG3 PRO A 33 18.655 -2.979 -5.778 1.00 2.01 H new ATOM 0 HD2 PRO A 33 17.646 -4.130 -3.538 1.00 20.34 H new ATOM 0 HD3 PRO A 33 17.390 -2.423 -3.841 1.00 20.34 H new ATOM 435 N HIS A 34 14.824 -5.824 -5.830 1.00 20.14 N ATOM 436 CA HIS A 34 14.201 -7.054 -6.296 1.00 71.14 C ATOM 437 C HIS A 34 12.915 -7.444 -5.560 1.00 33.21 C ATOM 438 O HIS A 34 12.288 -8.405 -6.005 1.00 3.04 O ATOM 439 CB HIS A 34 15.246 -8.182 -6.260 1.00 60.43 C ATOM 440 CG HIS A 34 16.125 -8.126 -7.482 1.00 13.45 C ATOM 441 ND1 HIS A 34 15.712 -8.443 -8.756 1.00 21.43 N ATOM 442 CD2 HIS A 34 17.407 -7.655 -7.559 1.00 2.32 C ATOM 443 CE1 HIS A 34 16.725 -8.163 -9.591 1.00 62.42 C ATOM 444 NE2 HIS A 34 17.777 -7.672 -8.909 1.00 12.34 N ATOM 0 H HIS A 34 15.503 -5.979 -5.085 1.00 20.14 H new ATOM 0 HA HIS A 34 13.868 -6.877 -7.319 1.00 71.14 H new ATOM 0 HB2 HIS A 34 15.856 -8.092 -5.361 1.00 60.43 H new ATOM 0 HB3 HIS A 34 14.745 -9.149 -6.209 1.00 60.43 H new ATOM 0 HD2 HIS A 34 18.020 -7.330 -6.731 1.00 2.32 H new ATOM 0 HE1 HIS A 34 16.700 -8.311 -10.661 1.00 62.42 H new ATOM 0 HE2 HIS A 34 18.670 -7.371 -9.300 1.00 12.34 H new ATOM 451 N SER A 35 12.503 -6.753 -4.486 1.00 11.12 N ATOM 452 CA SER A 35 11.286 -7.084 -3.746 1.00 13.13 C ATOM 453 C SER A 35 10.057 -7.244 -4.659 1.00 75.10 C ATOM 454 O SER A 35 9.934 -6.626 -5.725 1.00 4.13 O ATOM 455 CB SER A 35 11.094 -6.060 -2.604 1.00 35.45 C ATOM 456 OG SER A 35 9.764 -5.884 -2.164 1.00 21.51 O ATOM 0 H SER A 35 13.007 -5.950 -4.110 1.00 11.12 H new ATOM 0 HA SER A 35 11.399 -8.069 -3.294 1.00 13.13 H new ATOM 0 HB2 SER A 35 11.701 -6.371 -1.754 1.00 35.45 H new ATOM 0 HB3 SER A 35 11.480 -5.096 -2.935 1.00 35.45 H new ATOM 0 HG SER A 35 9.751 -5.800 -1.188 1.00 21.51 H new ATOM 461 N THR A 36 9.124 -8.063 -4.192 1.00 2.21 N ATOM 462 CA THR A 36 7.772 -8.222 -4.714 1.00 53.34 C ATOM 463 C THR A 36 6.785 -7.504 -3.791 1.00 23.32 C ATOM 464 O THR A 36 7.004 -7.385 -2.585 1.00 4.21 O ATOM 465 CB THR A 36 7.394 -9.714 -4.840 1.00 11.44 C ATOM 466 OG1 THR A 36 8.195 -10.576 -4.046 1.00 60.30 O ATOM 467 CG2 THR A 36 7.535 -10.182 -6.285 1.00 72.34 C ATOM 0 H THR A 36 9.301 -8.670 -3.392 1.00 2.21 H new ATOM 0 HA THR A 36 7.729 -7.783 -5.711 1.00 53.34 H new ATOM 0 HB THR A 36 6.364 -9.774 -4.490 1.00 11.44 H new ATOM 0 HG1 THR A 36 7.902 -11.503 -4.172 1.00 60.30 H new ATOM 0 HG21 THR A 36 7.264 -11.236 -6.354 1.00 72.34 H new ATOM 0 HG22 THR A 36 6.875 -9.595 -6.924 1.00 72.34 H new ATOM 0 HG23 THR A 36 8.567 -10.050 -6.611 1.00 72.34 H new ATOM 475 N MET A 37 5.644 -7.090 -4.341 1.00 62.11 N ATOM 476 CA MET A 37 4.603 -6.414 -3.571 1.00 75.13 C ATOM 477 C MET A 37 3.923 -7.361 -2.587 1.00 51.30 C ATOM 478 O MET A 37 3.299 -6.922 -1.625 1.00 34.51 O ATOM 479 CB MET A 37 3.585 -5.800 -4.535 1.00 13.33 C ATOM 480 CG MET A 37 2.387 -6.680 -4.913 1.00 2.03 C ATOM 481 SD MET A 37 1.562 -6.138 -6.430 1.00 33.42 S ATOM 482 CE MET A 37 1.369 -4.358 -6.114 1.00 62.44 C ATOM 0 H MET A 37 5.417 -7.213 -5.328 1.00 62.11 H new ATOM 0 HA MET A 37 5.064 -5.624 -2.978 1.00 75.13 H new ATOM 0 HB2 MET A 37 3.206 -4.879 -4.091 1.00 13.33 H new ATOM 0 HB3 MET A 37 4.107 -5.521 -5.451 1.00 13.33 H new ATOM 0 HG2 MET A 37 2.724 -7.709 -5.037 1.00 2.03 H new ATOM 0 HG3 MET A 37 1.668 -6.677 -4.094 1.00 2.03 H new ATOM 0 HE1 MET A 37 0.797 -3.905 -6.923 1.00 62.44 H new ATOM 0 HE2 MET A 37 0.843 -4.211 -5.171 1.00 62.44 H new ATOM 0 HE3 MET A 37 2.352 -3.890 -6.058 1.00 62.44 H new ATOM 490 N ASP A 38 4.023 -8.664 -2.849 1.00 51.32 N ATOM 491 CA ASP A 38 3.271 -9.689 -2.148 1.00 40.42 C ATOM 492 C ASP A 38 3.612 -9.746 -0.666 1.00 40.43 C ATOM 493 O ASP A 38 2.754 -10.026 0.161 1.00 51.22 O ATOM 494 CB ASP A 38 3.608 -11.038 -2.759 1.00 22.25 C ATOM 495 CG ASP A 38 2.681 -12.112 -2.199 1.00 13.14 C ATOM 496 OD1 ASP A 38 1.446 -11.939 -2.272 1.00 20.31 O ATOM 497 OD2 ASP A 38 3.187 -13.137 -1.693 1.00 71.24 O ATOM 0 H ASP A 38 4.642 -9.037 -3.569 1.00 51.32 H new ATOM 0 HA ASP A 38 2.212 -9.448 -2.245 1.00 40.42 H new ATOM 0 HB2 ASP A 38 3.509 -10.990 -3.843 1.00 22.25 H new ATOM 0 HB3 ASP A 38 4.646 -11.294 -2.545 1.00 22.25 H new ATOM 501 N SER A 39 4.859 -9.408 -0.339 1.00 75.52 N ATOM 502 CA SER A 39 5.334 -9.187 1.019 1.00 62.11 C ATOM 503 C SER A 39 4.373 -8.263 1.777 1.00 31.43 C ATOM 504 O SER A 39 3.912 -8.591 2.871 1.00 64.24 O ATOM 505 CB SER A 39 6.760 -8.620 0.935 1.00 73.42 C ATOM 506 OG SER A 39 7.461 -8.650 2.165 1.00 21.45 O ATOM 0 H SER A 39 5.589 -9.277 -1.040 1.00 75.52 H new ATOM 0 HA SER A 39 5.363 -10.121 1.581 1.00 62.11 H new ATOM 0 HB2 SER A 39 7.323 -9.186 0.193 1.00 73.42 H new ATOM 0 HB3 SER A 39 6.711 -7.590 0.580 1.00 73.42 H new ATOM 0 HG SER A 39 8.041 -9.439 2.192 1.00 21.45 H new ATOM 511 N ILE A 40 4.030 -7.118 1.188 1.00 33.35 N ATOM 512 CA ILE A 40 3.210 -6.123 1.851 1.00 62.34 C ATOM 513 C ILE A 40 1.782 -6.660 2.009 1.00 24.15 C ATOM 514 O ILE A 40 1.156 -6.403 3.041 1.00 13.41 O ATOM 515 CB ILE A 40 3.265 -4.793 1.066 1.00 22.35 C ATOM 516 CG1 ILE A 40 4.707 -4.240 0.923 1.00 2.11 C ATOM 517 CG2 ILE A 40 2.407 -3.719 1.755 1.00 22.35 C ATOM 518 CD1 ILE A 40 5.420 -4.634 -0.374 1.00 73.54 C ATOM 0 H ILE A 40 4.314 -6.861 0.243 1.00 33.35 H new ATOM 0 HA ILE A 40 3.593 -5.919 2.851 1.00 62.34 H new ATOM 0 HB ILE A 40 2.878 -5.017 0.072 1.00 22.35 H new ATOM 0 HG12 ILE A 40 4.672 -3.152 0.986 1.00 2.11 H new ATOM 0 HG13 ILE A 40 5.301 -4.589 1.768 1.00 2.11 H new ATOM 0 HG21 ILE A 40 2.460 -2.791 1.186 1.00 22.35 H new ATOM 0 HG22 ILE A 40 1.372 -4.056 1.804 1.00 22.35 H new ATOM 0 HG23 ILE A 40 2.780 -3.547 2.765 1.00 22.35 H new ATOM 0 HD11 ILE A 40 6.421 -4.202 -0.385 1.00 73.54 H new ATOM 0 HD12 ILE A 40 5.493 -5.720 -0.434 1.00 73.54 H new ATOM 0 HD13 ILE A 40 4.855 -4.261 -1.228 1.00 73.54 H new ATOM 529 N LEU A 41 1.261 -7.389 1.015 1.00 1.02 N ATOM 530 CA LEU A 41 -0.056 -8.021 1.056 1.00 44.30 C ATOM 531 C LEU A 41 -0.108 -9.051 2.175 1.00 33.52 C ATOM 532 O LEU A 41 -0.917 -8.903 3.088 1.00 31.34 O ATOM 533 CB LEU A 41 -0.441 -8.658 -0.288 1.00 73.21 C ATOM 534 CG LEU A 41 -0.814 -7.630 -1.370 1.00 11.15 C ATOM 535 CD1 LEU A 41 -1.035 -8.349 -2.695 1.00 61.30 C ATOM 536 CD2 LEU A 41 -2.088 -6.837 -1.041 1.00 42.13 C ATOM 0 H LEU A 41 1.758 -7.558 0.140 1.00 1.02 H new ATOM 0 HA LEU A 41 -0.788 -7.238 1.255 1.00 44.30 H new ATOM 0 HB2 LEU A 41 0.391 -9.264 -0.645 1.00 73.21 H new ATOM 0 HB3 LEU A 41 -1.283 -9.333 -0.133 1.00 73.21 H new ATOM 0 HG LEU A 41 0.014 -6.924 -1.424 1.00 11.15 H new ATOM 0 HD11 LEU A 41 -1.299 -7.623 -3.463 1.00 61.30 H new ATOM 0 HD12 LEU A 41 -0.121 -8.867 -2.985 1.00 61.30 H new ATOM 0 HD13 LEU A 41 -1.843 -9.072 -2.586 1.00 61.30 H new ATOM 0 HD21 LEU A 41 -2.294 -6.130 -1.845 1.00 42.13 H new ATOM 0 HD22 LEU A 41 -2.928 -7.524 -0.938 1.00 42.13 H new ATOM 0 HD23 LEU A 41 -1.947 -6.293 -0.107 1.00 42.13 H new ATOM 547 N GLY A 42 0.753 -10.066 2.125 1.00 21.54 N ATOM 548 CA GLY A 42 0.641 -11.256 2.950 1.00 21.24 C ATOM 549 C GLY A 42 0.805 -10.994 4.443 1.00 62.41 C ATOM 550 O GLY A 42 0.332 -11.802 5.248 1.00 71.33 O ATOM 0 H GLY A 42 1.558 -10.080 1.499 1.00 21.54 H new ATOM 0 HA2 GLY A 42 -0.332 -11.715 2.777 1.00 21.24 H new ATOM 0 HA3 GLY A 42 1.394 -11.977 2.633 1.00 21.24 H new ATOM 554 N ALA A 43 1.428 -9.875 4.833 1.00 21.55 N ATOM 555 CA ALA A 43 1.445 -9.447 6.225 1.00 41.31 C ATOM 556 C ALA A 43 0.057 -9.039 6.715 1.00 75.14 C ATOM 557 O ALA A 43 -0.248 -9.242 7.887 1.00 71.12 O ATOM 558 CB ALA A 43 2.406 -8.266 6.413 1.00 12.24 C ATOM 0 H ALA A 43 1.926 -9.252 4.197 1.00 21.55 H new ATOM 0 HA ALA A 43 1.783 -10.300 6.813 1.00 41.31 H new ATOM 0 HB1 ALA A 43 2.406 -7.960 7.459 1.00 12.24 H new ATOM 0 HB2 ALA A 43 3.413 -8.567 6.123 1.00 12.24 H new ATOM 0 HB3 ALA A 43 2.083 -7.432 5.790 1.00 12.24 H new ATOM 564 N LEU A 44 -0.758 -8.419 5.861 1.00 72.54 N ATOM 565 CA LEU A 44 -1.870 -7.572 6.293 1.00 62.43 C ATOM 566 C LEU A 44 -3.218 -8.049 5.785 1.00 55.02 C ATOM 567 O LEU A 44 -4.236 -7.552 6.258 1.00 74.41 O ATOM 568 CB LEU A 44 -1.658 -6.127 5.814 1.00 44.11 C ATOM 569 CG LEU A 44 -0.301 -5.507 6.175 1.00 12.43 C ATOM 570 CD1 LEU A 44 -0.241 -4.052 5.702 1.00 51.22 C ATOM 571 CD2 LEU A 44 -0.017 -5.579 7.672 1.00 34.22 C ATOM 0 H LEU A 44 -0.665 -8.490 4.848 1.00 72.54 H new ATOM 0 HA LEU A 44 -1.881 -7.626 7.382 1.00 62.43 H new ATOM 0 HB2 LEU A 44 -1.774 -6.100 4.731 1.00 44.11 H new ATOM 0 HB3 LEU A 44 -2.447 -5.503 6.234 1.00 44.11 H new ATOM 0 HG LEU A 44 0.467 -6.089 5.665 1.00 12.43 H new ATOM 0 HD11 LEU A 44 0.726 -3.624 5.964 1.00 51.22 H new ATOM 0 HD12 LEU A 44 -0.373 -4.015 4.621 1.00 51.22 H new ATOM 0 HD13 LEU A 44 -1.034 -3.480 6.184 1.00 51.22 H new ATOM 0 HD21 LEU A 44 0.953 -5.129 7.880 1.00 34.22 H new ATOM 0 HD22 LEU A 44 -0.792 -5.039 8.216 1.00 34.22 H new ATOM 0 HD23 LEU A 44 -0.009 -6.621 7.991 1.00 34.22 H new ATOM 582 N ALA A 45 -3.228 -8.976 4.825 1.00 42.03 N ATOM 583 CA ALA A 45 -4.416 -9.404 4.099 1.00 23.55 C ATOM 584 C ALA A 45 -5.635 -9.644 5.009 1.00 51.34 C ATOM 585 O ALA A 45 -6.653 -8.982 4.783 1.00 4.24 O ATOM 586 CB ALA A 45 -4.078 -10.601 3.206 1.00 55.12 C ATOM 0 H ALA A 45 -2.382 -9.461 4.526 1.00 42.03 H new ATOM 0 HA ALA A 45 -4.728 -8.583 3.454 1.00 23.55 H new ATOM 0 HB1 ALA A 45 -4.971 -10.916 2.666 1.00 55.12 H new ATOM 0 HB2 ALA A 45 -3.304 -10.316 2.493 1.00 55.12 H new ATOM 0 HB3 ALA A 45 -3.718 -11.425 3.822 1.00 55.12 H new ATOM 592 N PRO A 46 -5.576 -10.488 6.059 1.00 20.52 N ATOM 593 CA PRO A 46 -6.747 -10.749 6.891 1.00 14.32 C ATOM 594 C PRO A 46 -7.191 -9.552 7.748 1.00 75.41 C ATOM 595 O PRO A 46 -8.318 -9.568 8.245 1.00 53.02 O ATOM 596 CB PRO A 46 -6.372 -11.944 7.773 1.00 22.13 C ATOM 597 CG PRO A 46 -4.854 -11.827 7.869 1.00 31.43 C ATOM 598 CD PRO A 46 -4.470 -11.341 6.479 1.00 41.43 C ATOM 0 HA PRO A 46 -7.607 -10.950 6.252 1.00 14.32 H new ATOM 0 HB2 PRO A 46 -6.845 -11.888 8.753 1.00 22.13 H new ATOM 0 HB3 PRO A 46 -6.678 -12.890 7.325 1.00 22.13 H new ATOM 0 HG2 PRO A 46 -4.550 -11.122 8.643 1.00 31.43 H new ATOM 0 HG3 PRO A 46 -4.388 -12.783 8.107 1.00 31.43 H new ATOM 0 HD2 PRO A 46 -3.531 -10.788 6.500 1.00 41.43 H new ATOM 0 HD3 PRO A 46 -4.333 -12.177 5.792 1.00 41.43 H new ATOM 603 N TYR A 47 -6.347 -8.534 7.933 1.00 54.40 N ATOM 604 CA TYR A 47 -6.602 -7.380 8.797 1.00 64.42 C ATOM 605 C TYR A 47 -7.079 -6.167 7.990 1.00 33.35 C ATOM 606 O TYR A 47 -7.219 -5.080 8.545 1.00 21.51 O ATOM 607 CB TYR A 47 -5.327 -7.026 9.586 1.00 24.24 C ATOM 608 CG TYR A 47 -4.514 -8.202 10.105 1.00 42.04 C ATOM 609 CD1 TYR A 47 -5.122 -9.319 10.718 1.00 42.40 C ATOM 610 CD2 TYR A 47 -3.122 -8.188 9.917 1.00 20.15 C ATOM 611 CE1 TYR A 47 -4.337 -10.413 11.139 1.00 75.23 C ATOM 612 CE2 TYR A 47 -2.339 -9.271 10.329 1.00 42.04 C ATOM 613 CZ TYR A 47 -2.937 -10.396 10.928 1.00 33.31 C ATOM 614 OH TYR A 47 -2.146 -11.460 11.230 1.00 61.54 O ATOM 0 H TYR A 47 -5.439 -8.489 7.471 1.00 54.40 H new ATOM 0 HA TYR A 47 -7.397 -7.648 9.493 1.00 64.42 H new ATOM 0 HB2 TYR A 47 -4.685 -6.420 8.947 1.00 24.24 H new ATOM 0 HB3 TYR A 47 -5.610 -6.403 10.435 1.00 24.24 H new ATOM 0 HD1 TYR A 47 -6.192 -9.336 10.865 1.00 42.40 H new ATOM 0 HD2 TYR A 47 -2.653 -7.334 9.451 1.00 20.15 H new ATOM 0 HE1 TYR A 47 -4.802 -11.260 11.620 1.00 75.23 H new ATOM 0 HE2 TYR A 47 -1.269 -9.244 10.187 1.00 42.04 H new ATOM 0 HH TYR A 47 -1.215 -11.248 11.010 1.00 61.54 H new ATOM 623 N ALA A 48 -7.280 -6.333 6.682 1.00 0.11 N ATOM 624 CA ALA A 48 -7.709 -5.308 5.744 1.00 1.31 C ATOM 625 C ALA A 48 -8.700 -5.935 4.765 1.00 33.12 C ATOM 626 O ALA A 48 -9.101 -7.093 4.926 1.00 54.43 O ATOM 627 CB ALA A 48 -6.471 -4.721 5.051 1.00 73.21 C ATOM 0 H ALA A 48 -7.139 -7.236 6.230 1.00 0.11 H new ATOM 0 HA ALA A 48 -8.217 -4.485 6.246 1.00 1.31 H new ATOM 0 HB1 ALA A 48 -6.780 -3.951 4.345 1.00 73.21 H new ATOM 0 HB2 ALA A 48 -5.809 -4.283 5.798 1.00 73.21 H new ATOM 0 HB3 ALA A 48 -5.944 -5.512 4.517 1.00 73.21 H new ATOM 633 N VAL A 49 -9.127 -5.184 3.753 1.00 64.42 N ATOM 634 CA VAL A 49 -9.827 -5.706 2.598 1.00 31.42 C ATOM 635 C VAL A 49 -9.387 -4.896 1.382 1.00 32.33 C ATOM 636 O VAL A 49 -10.005 -3.910 0.978 1.00 63.24 O ATOM 637 CB VAL A 49 -11.323 -5.791 2.892 1.00 33.14 C ATOM 638 CG1 VAL A 49 -12.012 -4.454 3.124 1.00 43.21 C ATOM 639 CG2 VAL A 49 -12.037 -6.599 1.813 1.00 2.34 C ATOM 0 H VAL A 49 -8.989 -4.174 3.719 1.00 64.42 H new ATOM 0 HA VAL A 49 -9.570 -6.738 2.359 1.00 31.42 H new ATOM 0 HB VAL A 49 -11.398 -6.309 3.848 1.00 33.14 H new ATOM 0 HG11 VAL A 49 -13.070 -4.620 3.325 1.00 43.21 H new ATOM 0 HG12 VAL A 49 -11.555 -3.953 3.977 1.00 43.21 H new ATOM 0 HG13 VAL A 49 -11.904 -3.830 2.237 1.00 43.21 H new ATOM 0 HG21 VAL A 49 -13.102 -6.648 2.040 1.00 2.34 H new ATOM 0 HG22 VAL A 49 -11.894 -6.119 0.845 1.00 2.34 H new ATOM 0 HG23 VAL A 49 -11.626 -7.608 1.782 1.00 2.34 H new ATOM 649 N LEU A 50 -8.221 -5.265 0.865 1.00 62.52 N ATOM 650 CA LEU A 50 -7.553 -4.563 -0.226 1.00 21.24 C ATOM 651 C LEU A 50 -6.801 -5.553 -1.111 1.00 54.03 C ATOM 652 O LEU A 50 -6.854 -6.761 -0.888 1.00 61.12 O ATOM 653 CB LEU A 50 -6.665 -3.434 0.336 1.00 74.33 C ATOM 654 CG LEU A 50 -5.682 -3.814 1.460 1.00 20.45 C ATOM 655 CD1 LEU A 50 -4.516 -4.693 0.997 1.00 41.11 C ATOM 656 CD2 LEU A 50 -5.132 -2.531 2.086 1.00 3.42 C ATOM 0 H LEU A 50 -7.702 -6.077 1.199 1.00 62.52 H new ATOM 0 HA LEU A 50 -8.291 -4.082 -0.869 1.00 21.24 H new ATOM 0 HB2 LEU A 50 -6.091 -3.012 -0.489 1.00 74.33 H new ATOM 0 HB3 LEU A 50 -7.317 -2.643 0.708 1.00 74.33 H new ATOM 0 HG LEU A 50 -6.242 -4.408 2.182 1.00 20.45 H new ATOM 0 HD11 LEU A 50 -3.870 -4.917 1.846 1.00 41.11 H new ATOM 0 HD12 LEU A 50 -4.904 -5.623 0.581 1.00 41.11 H new ATOM 0 HD13 LEU A 50 -3.943 -4.166 0.234 1.00 41.11 H new ATOM 0 HD21 LEU A 50 -4.434 -2.786 2.884 1.00 3.42 H new ATOM 0 HD22 LEU A 50 -4.615 -1.947 1.324 1.00 3.42 H new ATOM 0 HD23 LEU A 50 -5.954 -1.945 2.496 1.00 3.42 H new ATOM 667 N SER A 51 -6.108 -5.050 -2.125 1.00 42.33 N ATOM 668 CA SER A 51 -5.280 -5.820 -3.035 1.00 20.21 C ATOM 669 C SER A 51 -4.153 -4.920 -3.550 1.00 51.40 C ATOM 670 O SER A 51 -3.928 -3.817 -3.041 1.00 21.32 O ATOM 671 CB SER A 51 -6.160 -6.384 -4.164 1.00 1.41 C ATOM 672 OG SER A 51 -6.552 -7.711 -3.886 1.00 0.01 O ATOM 0 H SER A 51 -6.110 -4.053 -2.342 1.00 42.33 H new ATOM 0 HA SER A 51 -4.820 -6.671 -2.533 1.00 20.21 H new ATOM 0 HB2 SER A 51 -7.044 -5.758 -4.288 1.00 1.41 H new ATOM 0 HB3 SER A 51 -5.613 -6.353 -5.106 1.00 1.41 H new ATOM 0 HG SER A 51 -6.763 -7.797 -2.933 1.00 0.01 H new ATOM 677 N SER A 52 -3.417 -5.421 -4.540 1.00 72.51 N ATOM 678 CA SER A 52 -2.224 -4.833 -5.124 1.00 71.52 C ATOM 679 C SER A 52 -2.365 -3.359 -5.519 1.00 43.11 C ATOM 680 O SER A 52 -1.354 -2.664 -5.550 1.00 22.25 O ATOM 681 CB SER A 52 -1.844 -5.685 -6.338 1.00 52.13 C ATOM 682 OG SER A 52 -2.946 -5.823 -7.214 1.00 74.12 O ATOM 0 H SER A 52 -3.659 -6.308 -4.982 1.00 72.51 H new ATOM 0 HA SER A 52 -1.444 -4.834 -4.363 1.00 71.52 H new ATOM 0 HB2 SER A 52 -1.009 -5.224 -6.865 1.00 52.13 H new ATOM 0 HB3 SER A 52 -1.509 -6.669 -6.008 1.00 52.13 H new ATOM 0 HG SER A 52 -2.685 -6.369 -7.985 1.00 74.12 H new ATOM 687 N SER A 53 -3.570 -2.858 -5.818 1.00 71.42 N ATOM 688 CA SER A 53 -3.729 -1.458 -6.185 1.00 14.11 C ATOM 689 C SER A 53 -3.360 -0.548 -5.007 1.00 53.31 C ATOM 690 O SER A 53 -2.831 0.548 -5.225 1.00 75.33 O ATOM 691 CB SER A 53 -5.153 -1.207 -6.706 1.00 24.01 C ATOM 692 OG SER A 53 -5.137 -0.475 -7.919 1.00 61.23 O ATOM 0 H SER A 53 -4.435 -3.398 -5.812 1.00 71.42 H new ATOM 0 HA SER A 53 -3.043 -1.214 -6.996 1.00 14.11 H new ATOM 0 HB2 SER A 53 -5.659 -2.160 -6.861 1.00 24.01 H new ATOM 0 HB3 SER A 53 -5.725 -0.660 -5.957 1.00 24.01 H new ATOM 0 HG SER A 53 -6.056 -0.332 -8.227 1.00 61.23 H new ATOM 697 N ASN A 54 -3.647 -0.965 -3.767 1.00 53.30 N ATOM 698 CA ASN A 54 -3.335 -0.192 -2.563 1.00 41.32 C ATOM 699 C ASN A 54 -1.838 -0.213 -2.285 1.00 71.30 C ATOM 700 O ASN A 54 -1.270 0.806 -1.891 1.00 54.14 O ATOM 701 CB ASN A 54 -4.075 -0.750 -1.339 1.00 14.23 C ATOM 702 CG ASN A 54 -5.557 -0.414 -1.382 1.00 33.43 C ATOM 703 OD1 ASN A 54 -6.308 -0.973 -2.179 1.00 72.40 O ATOM 704 ND2 ASN A 54 -6.007 0.498 -0.543 1.00 41.04 N ATOM 0 H ASN A 54 -4.106 -1.855 -3.572 1.00 53.30 H new ATOM 0 HA ASN A 54 -3.661 0.833 -2.741 1.00 41.32 H new ATOM 0 HB2 ASN A 54 -3.947 -1.832 -1.297 1.00 14.23 H new ATOM 0 HB3 ASN A 54 -3.635 -0.342 -0.429 1.00 14.23 H new ATOM 0 HD21 ASN A 54 -6.995 0.752 -0.547 1.00 41.04 H new ATOM 0 HD22 ASN A 54 -5.367 0.950 0.110 1.00 41.04 H new ATOM 710 N VAL A 55 -1.225 -1.382 -2.465 1.00 42.02 N ATOM 711 CA VAL A 55 0.188 -1.669 -2.259 1.00 14.23 C ATOM 712 C VAL A 55 0.993 -1.007 -3.377 1.00 1.42 C ATOM 713 O VAL A 55 1.277 -1.602 -4.418 1.00 3.05 O ATOM 714 CB VAL A 55 0.377 -3.197 -2.186 1.00 33.14 C ATOM 715 CG1 VAL A 55 1.844 -3.604 -2.052 1.00 62.42 C ATOM 716 CG2 VAL A 55 -0.364 -3.749 -0.962 1.00 55.31 C ATOM 0 H VAL A 55 -1.739 -2.205 -2.779 1.00 42.02 H new ATOM 0 HA VAL A 55 0.554 -1.257 -1.318 1.00 14.23 H new ATOM 0 HB VAL A 55 -0.017 -3.603 -3.118 1.00 33.14 H new ATOM 0 HG11 VAL A 55 1.917 -4.691 -2.005 1.00 62.42 H new ATOM 0 HG12 VAL A 55 2.403 -3.240 -2.914 1.00 62.42 H new ATOM 0 HG13 VAL A 55 2.260 -3.173 -1.141 1.00 62.42 H new ATOM 0 HG21 VAL A 55 -0.229 -4.829 -0.912 1.00 55.31 H new ATOM 0 HG22 VAL A 55 0.036 -3.291 -0.057 1.00 55.31 H new ATOM 0 HG23 VAL A 55 -1.426 -3.519 -1.046 1.00 55.31 H new ATOM 726 N ARG A 56 1.346 0.262 -3.182 1.00 23.54 N ATOM 727 CA ARG A 56 2.005 1.030 -4.217 1.00 20.24 C ATOM 728 C ARG A 56 3.508 0.840 -4.134 1.00 62.23 C ATOM 729 O ARG A 56 4.198 1.448 -3.311 1.00 34.42 O ATOM 730 CB ARG A 56 1.592 2.498 -4.193 1.00 2.22 C ATOM 731 CG ARG A 56 1.720 2.970 -5.640 1.00 1.22 C ATOM 732 CD ARG A 56 1.666 4.473 -5.734 1.00 51.20 C ATOM 733 NE ARG A 56 1.362 4.957 -7.091 1.00 72.03 N ATOM 734 CZ ARG A 56 1.199 6.255 -7.383 1.00 21.05 C ATOM 735 NH1 ARG A 56 1.441 7.172 -6.452 1.00 2.25 N ATOM 736 NH2 ARG A 56 0.827 6.656 -8.594 1.00 60.34 N ATOM 0 H ARG A 56 1.183 0.773 -2.314 1.00 23.54 H new ATOM 0 HA ARG A 56 1.679 0.652 -5.186 1.00 20.24 H new ATOM 0 HB2 ARG A 56 0.571 2.615 -3.829 1.00 2.22 H new ATOM 0 HB3 ARG A 56 2.235 3.078 -3.531 1.00 2.22 H new ATOM 0 HG2 ARG A 56 2.660 2.611 -6.060 1.00 1.22 H new ATOM 0 HG3 ARG A 56 0.918 2.537 -6.238 1.00 1.22 H new ATOM 0 HD2 ARG A 56 0.910 4.847 -5.044 1.00 51.20 H new ATOM 0 HD3 ARG A 56 2.623 4.886 -5.413 1.00 51.20 H new ATOM 0 HE ARG A 56 1.271 4.274 -7.843 1.00 72.03 H new ATOM 0 HH11 ARG A 56 1.749 6.886 -5.522 1.00 2.25 H new ATOM 0 HH12 ARG A 56 1.319 8.162 -6.667 1.00 2.25 H new ATOM 0 HH21 ARG A 56 0.658 5.969 -9.329 1.00 60.34 H new ATOM 0 HH22 ARG A 56 0.710 7.650 -8.789 1.00 60.34 H new ATOM 747 N VAL A 57 4.025 0.013 -5.025 1.00 33.12 N ATOM 748 CA VAL A 57 5.441 -0.263 -5.142 1.00 12.21 C ATOM 749 C VAL A 57 6.029 0.845 -6.002 1.00 61.14 C ATOM 750 O VAL A 57 5.755 0.918 -7.202 1.00 1.45 O ATOM 751 CB VAL A 57 5.667 -1.674 -5.705 1.00 11.33 C ATOM 752 CG1 VAL A 57 7.158 -1.965 -5.869 1.00 60.24 C ATOM 753 CG2 VAL A 57 5.079 -2.724 -4.750 1.00 62.43 C ATOM 0 H VAL A 57 3.457 -0.496 -5.702 1.00 33.12 H new ATOM 0 HA VAL A 57 5.946 -0.264 -4.176 1.00 12.21 H new ATOM 0 HB VAL A 57 5.175 -1.723 -6.676 1.00 11.33 H new ATOM 0 HG11 VAL A 57 7.291 -2.970 -6.269 1.00 60.24 H new ATOM 0 HG12 VAL A 57 7.597 -1.241 -6.555 1.00 60.24 H new ATOM 0 HG13 VAL A 57 7.652 -1.892 -4.900 1.00 60.24 H new ATOM 0 HG21 VAL A 57 5.245 -3.721 -5.159 1.00 62.43 H new ATOM 0 HG22 VAL A 57 5.566 -2.645 -3.778 1.00 62.43 H new ATOM 0 HG23 VAL A 57 4.009 -2.552 -4.635 1.00 62.43 H new ATOM 763 N ILE A 58 6.769 1.761 -5.378 1.00 74.43 N ATOM 764 CA ILE A 58 7.477 2.800 -6.114 1.00 61.22 C ATOM 765 C ILE A 58 8.751 2.185 -6.680 1.00 3.53 C ATOM 766 O ILE A 58 9.381 1.342 -6.032 1.00 22.12 O ATOM 767 CB ILE A 58 7.788 4.020 -5.220 1.00 62.32 C ATOM 768 CG1 ILE A 58 6.608 4.424 -4.303 1.00 44.52 C ATOM 769 CG2 ILE A 58 8.226 5.214 -6.091 1.00 0.12 C ATOM 770 CD1 ILE A 58 5.251 4.527 -5.008 1.00 34.15 C ATOM 0 H ILE A 58 6.892 1.802 -4.366 1.00 74.43 H new ATOM 0 HA ILE A 58 6.850 3.171 -6.924 1.00 61.22 H new ATOM 0 HB ILE A 58 8.603 3.726 -4.559 1.00 62.32 H new ATOM 0 HG12 ILE A 58 6.528 3.696 -3.496 1.00 44.52 H new ATOM 0 HG13 ILE A 58 6.836 5.385 -3.843 1.00 44.52 H new ATOM 0 HG21 ILE A 58 8.443 6.070 -5.452 1.00 0.12 H new ATOM 0 HG22 ILE A 58 9.120 4.945 -6.654 1.00 0.12 H new ATOM 0 HG23 ILE A 58 7.425 5.472 -6.784 1.00 0.12 H new ATOM 0 HD11 ILE A 58 4.487 4.815 -4.286 1.00 34.15 H new ATOM 0 HD12 ILE A 58 5.307 5.278 -5.796 1.00 34.15 H new ATOM 0 HD13 ILE A 58 4.993 3.562 -5.444 1.00 34.15 H new ATOM 781 N LYS A 59 9.159 2.646 -7.856 1.00 42.32 N ATOM 782 CA LYS A 59 10.363 2.214 -8.545 1.00 52.51 C ATOM 783 C LYS A 59 11.154 3.443 -8.973 1.00 34.21 C ATOM 784 O LYS A 59 10.769 4.583 -8.691 1.00 73.10 O ATOM 785 CB LYS A 59 9.975 1.297 -9.718 1.00 41.43 C ATOM 786 CG LYS A 59 9.303 0.011 -9.205 1.00 34.44 C ATOM 787 CD LYS A 59 8.862 -0.919 -10.334 1.00 54.33 C ATOM 788 CE LYS A 59 7.701 -0.288 -11.099 1.00 74.43 C ATOM 789 NZ LYS A 59 7.138 -1.207 -12.099 1.00 15.44 N ATOM 0 H LYS A 59 8.640 3.356 -8.372 1.00 42.32 H new ATOM 0 HA LYS A 59 11.009 1.629 -7.890 1.00 52.51 H new ATOM 0 HB2 LYS A 59 9.297 1.824 -10.389 1.00 41.43 H new ATOM 0 HB3 LYS A 59 10.863 1.043 -10.297 1.00 41.43 H new ATOM 0 HG2 LYS A 59 9.996 -0.520 -8.553 1.00 34.44 H new ATOM 0 HG3 LYS A 59 8.436 0.276 -8.600 1.00 34.44 H new ATOM 0 HD2 LYS A 59 9.696 -1.106 -11.010 1.00 54.33 H new ATOM 0 HD3 LYS A 59 8.560 -1.883 -9.926 1.00 54.33 H new ATOM 0 HE2 LYS A 59 6.921 0.006 -10.397 1.00 74.43 H new ATOM 0 HE3 LYS A 59 8.044 0.621 -11.594 1.00 74.43 H new ATOM 0 HZ1 LYS A 59 6.353 -0.740 -12.596 1.00 15.44 H new ATOM 0 HZ2 LYS A 59 7.875 -1.468 -12.785 1.00 15.44 H new ATOM 0 HZ3 LYS A 59 6.787 -2.064 -11.625 1.00 15.44 H new ATOM 799 N ASP A 60 12.311 3.198 -9.569 1.00 61.12 N ATOM 800 CA ASP A 60 13.229 4.229 -10.031 1.00 40.53 C ATOM 801 C ASP A 60 12.842 4.794 -11.412 1.00 4.23 C ATOM 802 O ASP A 60 11.861 4.364 -12.021 1.00 32.25 O ATOM 803 CB ASP A 60 14.597 3.556 -10.017 1.00 53.13 C ATOM 804 CG ASP A 60 15.769 4.432 -10.422 1.00 71.03 C ATOM 805 OD1 ASP A 60 15.714 5.662 -10.192 1.00 13.21 O ATOM 806 OD2 ASP A 60 16.714 3.882 -11.008 1.00 11.53 O ATOM 0 H ASP A 60 12.647 2.252 -9.750 1.00 61.12 H new ATOM 0 HA ASP A 60 13.211 5.111 -9.390 1.00 40.53 H new ATOM 0 HB2 ASP A 60 14.783 3.175 -9.013 1.00 53.13 H new ATOM 0 HB3 ASP A 60 14.564 2.695 -10.684 1.00 53.13 H new ATOM 810 N LYS A 61 13.605 5.786 -11.883 1.00 53.44 N ATOM 811 CA LYS A 61 13.584 6.412 -13.196 1.00 31.35 C ATOM 812 C LYS A 61 14.836 6.050 -14.007 1.00 41.21 C ATOM 813 O LYS A 61 14.800 6.167 -15.227 1.00 62.22 O ATOM 814 CB LYS A 61 13.453 7.925 -12.975 1.00 63.31 C ATOM 815 CG LYS A 61 13.492 8.762 -14.261 1.00 64.04 C ATOM 816 CD LYS A 61 12.912 10.179 -14.073 1.00 53.23 C ATOM 817 CE LYS A 61 13.952 11.283 -14.314 1.00 4.32 C ATOM 818 NZ LYS A 61 13.351 12.633 -14.247 1.00 1.23 N ATOM 0 H LYS A 61 14.321 6.207 -11.291 1.00 53.44 H new ATOM 0 HA LYS A 61 12.740 6.050 -13.783 1.00 31.35 H new ATOM 0 HB2 LYS A 61 12.516 8.124 -12.456 1.00 63.31 H new ATOM 0 HB3 LYS A 61 14.258 8.254 -12.318 1.00 63.31 H new ATOM 0 HG2 LYS A 61 14.523 8.840 -14.607 1.00 64.04 H new ATOM 0 HG3 LYS A 61 12.932 8.246 -15.041 1.00 64.04 H new ATOM 0 HD2 LYS A 61 12.075 10.318 -14.758 1.00 53.23 H new ATOM 0 HD3 LYS A 61 12.516 10.274 -13.062 1.00 53.23 H new ATOM 0 HE2 LYS A 61 14.746 11.202 -13.571 1.00 4.32 H new ATOM 0 HE3 LYS A 61 14.414 11.139 -15.291 1.00 4.32 H new ATOM 0 HZ1 LYS A 61 14.086 13.349 -14.415 1.00 1.23 H new ATOM 0 HZ2 LYS A 61 12.611 12.720 -14.972 1.00 1.23 H new ATOM 0 HZ3 LYS A 61 12.933 12.780 -13.306 1.00 1.23 H new ATOM 828 N GLN A 62 15.946 5.642 -13.377 1.00 12.11 N ATOM 829 CA GLN A 62 17.145 5.174 -14.089 1.00 53.54 C ATOM 830 C GLN A 62 17.097 3.673 -14.372 1.00 2.45 C ATOM 831 O GLN A 62 17.954 3.139 -15.079 1.00 24.45 O ATOM 832 CB GLN A 62 18.419 5.427 -13.277 1.00 64.00 C ATOM 833 CG GLN A 62 18.426 6.732 -12.488 1.00 4.34 C ATOM 834 CD GLN A 62 19.819 6.987 -11.931 1.00 21.34 C ATOM 835 OE1 GLN A 62 20.064 6.803 -10.739 1.00 42.12 O ATOM 836 NE2 GLN A 62 20.762 7.362 -12.777 1.00 34.22 N ATOM 0 H GLN A 62 16.039 5.627 -12.361 1.00 12.11 H new ATOM 0 HA GLN A 62 17.162 5.736 -15.023 1.00 53.54 H new ATOM 0 HB2 GLN A 62 18.561 4.599 -12.583 1.00 64.00 H new ATOM 0 HB3 GLN A 62 19.272 5.424 -13.956 1.00 64.00 H new ATOM 0 HG2 GLN A 62 18.124 7.559 -13.131 1.00 4.34 H new ATOM 0 HG3 GLN A 62 17.702 6.680 -11.674 1.00 4.34 H new ATOM 0 HE21 GLN A 62 20.536 7.509 -13.761 1.00 34.22 H new ATOM 0 HE22 GLN A 62 21.716 7.505 -12.446 1.00 34.22 H new ATOM 843 N THR A 63 16.167 2.977 -13.733 1.00 34.44 N ATOM 844 CA THR A 63 15.975 1.542 -13.761 1.00 72.43 C ATOM 845 C THR A 63 14.480 1.279 -13.603 1.00 22.44 C ATOM 846 O THR A 63 13.688 2.213 -13.458 1.00 12.22 O ATOM 847 CB THR A 63 16.824 0.857 -12.670 1.00 41.54 C ATOM 848 OG1 THR A 63 16.445 1.285 -11.380 1.00 32.15 O ATOM 849 CG2 THR A 63 18.326 1.112 -12.794 1.00 53.40 C ATOM 0 H THR A 63 15.479 3.439 -13.139 1.00 34.44 H new ATOM 0 HA THR A 63 16.313 1.116 -14.706 1.00 72.43 H new ATOM 0 HB THR A 63 16.634 -0.206 -12.817 1.00 41.54 H new ATOM 0 HG1 THR A 63 16.509 2.262 -11.327 1.00 32.15 H new ATOM 0 HG21 THR A 63 18.850 0.596 -11.990 1.00 53.40 H new ATOM 0 HG22 THR A 63 18.680 0.740 -13.755 1.00 53.40 H new ATOM 0 HG23 THR A 63 18.520 2.182 -12.725 1.00 53.40 H new ATOM 857 N GLN A 64 14.078 0.009 -13.620 1.00 2.34 N ATOM 858 CA GLN A 64 12.685 -0.394 -13.463 1.00 64.01 C ATOM 859 C GLN A 64 12.535 -1.296 -12.231 1.00 21.24 C ATOM 860 O GLN A 64 11.711 -2.210 -12.193 1.00 24.24 O ATOM 861 CB GLN A 64 12.203 -1.032 -14.771 1.00 35.13 C ATOM 862 CG GLN A 64 12.240 -0.106 -15.998 1.00 2.11 C ATOM 863 CD GLN A 64 11.144 0.945 -15.943 1.00 2.55 C ATOM 864 OE1 GLN A 64 10.040 0.720 -16.440 1.00 1.43 O ATOM 865 NE2 GLN A 64 11.351 2.057 -15.261 1.00 21.21 N ATOM 0 H GLN A 64 14.718 -0.775 -13.744 1.00 2.34 H new ATOM 0 HA GLN A 64 12.043 0.467 -13.276 1.00 64.01 H new ATOM 0 HB2 GLN A 64 12.817 -1.909 -14.978 1.00 35.13 H new ATOM 0 HB3 GLN A 64 11.181 -1.384 -14.631 1.00 35.13 H new ATOM 0 HG2 GLN A 64 13.212 0.384 -16.054 1.00 2.11 H new ATOM 0 HG3 GLN A 64 12.129 -0.700 -16.905 1.00 2.11 H new ATOM 0 HE21 GLN A 64 12.267 2.241 -14.850 1.00 21.21 H new ATOM 0 HE22 GLN A 64 10.595 2.732 -15.145 1.00 21.21 H new ATOM 872 N LEU A 65 13.353 -1.028 -11.212 1.00 22.11 N ATOM 873 CA LEU A 65 13.445 -1.783 -9.971 1.00 73.52 C ATOM 874 C LEU A 65 13.017 -0.887 -8.823 1.00 34.15 C ATOM 875 O LEU A 65 12.990 0.343 -8.960 1.00 55.12 O ATOM 876 CB LEU A 65 14.894 -2.188 -9.711 1.00 3.25 C ATOM 877 CG LEU A 65 15.532 -3.109 -10.760 1.00 15.12 C ATOM 878 CD1 LEU A 65 17.012 -2.750 -10.788 1.00 51.04 C ATOM 879 CD2 LEU A 65 15.323 -4.587 -10.415 1.00 73.44 C ATOM 0 H LEU A 65 13.999 -0.239 -11.235 1.00 22.11 H new ATOM 0 HA LEU A 65 12.812 -2.667 -10.049 1.00 73.52 H new ATOM 0 HB2 LEU A 65 15.496 -1.282 -9.637 1.00 3.25 H new ATOM 0 HB3 LEU A 65 14.944 -2.684 -8.742 1.00 3.25 H new ATOM 0 HG LEU A 65 15.071 -2.967 -11.738 1.00 15.12 H new ATOM 0 HD11 LEU A 65 17.524 -3.375 -11.520 1.00 51.04 H new ATOM 0 HD12 LEU A 65 17.127 -1.701 -11.062 1.00 51.04 H new ATOM 0 HD13 LEU A 65 17.446 -2.917 -9.802 1.00 51.04 H new ATOM 0 HD21 LEU A 65 15.788 -5.209 -11.180 1.00 73.44 H new ATOM 0 HD22 LEU A 65 15.776 -4.802 -9.447 1.00 73.44 H new ATOM 0 HD23 LEU A 65 14.256 -4.803 -10.372 1.00 73.44 H new ATOM 890 N ASN A 66 12.766 -1.506 -7.674 1.00 52.10 N ATOM 891 CA ASN A 66 12.354 -0.805 -6.463 1.00 54.33 C ATOM 892 C ASN A 66 13.524 0.036 -5.932 1.00 75.23 C ATOM 893 O ASN A 66 14.670 -0.144 -6.328 1.00 24.52 O ATOM 894 CB ASN A 66 11.851 -1.786 -5.389 1.00 63.54 C ATOM 895 CG ASN A 66 10.891 -2.844 -5.916 1.00 63.41 C ATOM 896 OD1 ASN A 66 9.998 -2.573 -6.707 1.00 75.33 O ATOM 897 ND2 ASN A 66 11.061 -4.075 -5.472 1.00 41.10 N ATOM 0 H ASN A 66 12.843 -2.516 -7.556 1.00 52.10 H new ATOM 0 HA ASN A 66 11.523 -0.144 -6.710 1.00 54.33 H new ATOM 0 HB2 ASN A 66 12.709 -2.282 -4.935 1.00 63.54 H new ATOM 0 HB3 ASN A 66 11.355 -1.221 -4.600 1.00 63.54 H new ATOM 0 HD21 ASN A 66 10.442 -4.821 -5.788 1.00 41.10 H new ATOM 0 HD22 ASN A 66 11.812 -4.280 -4.813 1.00 41.10 H new ATOM 903 N ARG A 67 13.254 0.933 -4.987 1.00 44.12 N ATOM 904 CA ARG A 67 14.209 1.848 -4.351 1.00 12.01 C ATOM 905 C ARG A 67 14.175 1.705 -2.828 1.00 42.20 C ATOM 906 O ARG A 67 14.314 2.691 -2.095 1.00 63.21 O ATOM 907 CB ARG A 67 13.904 3.286 -4.789 1.00 44.22 C ATOM 908 CG ARG A 67 14.381 3.596 -6.203 1.00 75.22 C ATOM 909 CD ARG A 67 14.107 5.081 -6.468 1.00 44.11 C ATOM 910 NE ARG A 67 15.105 5.666 -7.377 1.00 64.20 N ATOM 911 CZ ARG A 67 16.272 6.247 -7.069 1.00 33.34 C ATOM 912 NH1 ARG A 67 16.724 6.315 -5.819 1.00 11.43 N ATOM 913 NH2 ARG A 67 16.973 6.767 -8.059 1.00 14.42 N ATOM 0 H ARG A 67 12.309 1.051 -4.621 1.00 44.12 H new ATOM 0 HA ARG A 67 15.219 1.592 -4.671 1.00 12.01 H new ATOM 0 HB2 ARG A 67 12.829 3.457 -4.729 1.00 44.22 H new ATOM 0 HB3 ARG A 67 14.376 3.979 -4.093 1.00 44.22 H new ATOM 0 HG2 ARG A 67 15.444 3.378 -6.305 1.00 75.22 H new ATOM 0 HG3 ARG A 67 13.857 2.974 -6.929 1.00 75.22 H new ATOM 0 HD2 ARG A 67 13.112 5.196 -6.898 1.00 44.11 H new ATOM 0 HD3 ARG A 67 14.111 5.626 -5.524 1.00 44.11 H new ATOM 0 HE ARG A 67 14.879 5.624 -8.371 1.00 64.20 H new ATOM 0 HH11 ARG A 67 16.176 5.916 -5.056 1.00 11.43 H new ATOM 0 HH12 ARG A 67 17.618 6.766 -5.624 1.00 11.43 H new ATOM 0 HH21 ARG A 67 16.620 6.717 -9.015 1.00 14.42 H new ATOM 0 HH22 ARG A 67 17.867 7.219 -7.868 1.00 14.42 H new ATOM 924 N GLY A 68 13.951 0.490 -2.330 1.00 71.44 N ATOM 925 CA GLY A 68 14.110 0.193 -0.915 1.00 22.12 C ATOM 926 C GLY A 68 12.983 0.723 -0.027 1.00 21.31 C ATOM 927 O GLY A 68 13.185 0.848 1.179 1.00 72.20 O ATOM 0 H GLY A 68 13.657 -0.307 -2.894 1.00 71.44 H new ATOM 0 HA2 GLY A 68 14.178 -0.888 -0.789 1.00 22.12 H new ATOM 0 HA3 GLY A 68 15.055 0.614 -0.572 1.00 22.12 H new ATOM 931 N PHE A 69 11.806 1.045 -0.575 1.00 34.32 N ATOM 932 CA PHE A 69 10.611 1.406 0.195 1.00 60.52 C ATOM 933 C PHE A 69 9.358 1.051 -0.601 1.00 12.22 C ATOM 934 O PHE A 69 9.467 0.671 -1.767 1.00 61.54 O ATOM 935 CB PHE A 69 10.624 2.903 0.532 1.00 50.30 C ATOM 936 CG PHE A 69 10.230 3.834 -0.600 1.00 73.23 C ATOM 937 CD1 PHE A 69 11.103 4.068 -1.675 1.00 72.54 C ATOM 938 CD2 PHE A 69 8.970 4.456 -0.583 1.00 34.51 C ATOM 939 CE1 PHE A 69 10.747 4.966 -2.697 1.00 50.41 C ATOM 940 CE2 PHE A 69 8.612 5.360 -1.594 1.00 51.14 C ATOM 941 CZ PHE A 69 9.510 5.630 -2.642 1.00 74.12 C ATOM 0 H PHE A 69 11.655 1.062 -1.584 1.00 34.32 H new ATOM 0 HA PHE A 69 10.608 0.845 1.129 1.00 60.52 H new ATOM 0 HB2 PHE A 69 9.949 3.074 1.371 1.00 50.30 H new ATOM 0 HB3 PHE A 69 11.625 3.173 0.868 1.00 50.30 H new ATOM 0 HD1 PHE A 69 12.053 3.556 -1.717 1.00 72.54 H new ATOM 0 HD2 PHE A 69 8.274 4.237 0.213 1.00 34.51 H new ATOM 0 HE1 PHE A 69 11.422 5.145 -3.521 1.00 50.41 H new ATOM 0 HE2 PHE A 69 7.649 5.848 -1.568 1.00 51.14 H new ATOM 0 HZ PHE A 69 9.249 6.348 -3.405 1.00 74.12 H new ATOM 950 N ALA A 70 8.170 1.224 -0.021 1.00 64.20 N ATOM 951 CA ALA A 70 6.928 1.279 -0.789 1.00 42.22 C ATOM 952 C ALA A 70 5.887 2.110 -0.024 1.00 24.13 C ATOM 953 O ALA A 70 6.134 2.490 1.123 1.00 13.11 O ATOM 954 CB ALA A 70 6.451 -0.145 -1.113 1.00 22.55 C ATOM 0 H ALA A 70 8.043 1.329 0.986 1.00 64.20 H new ATOM 0 HA ALA A 70 7.091 1.777 -1.745 1.00 42.22 H new ATOM 0 HB1 ALA A 70 5.525 -0.097 -1.686 1.00 22.55 H new ATOM 0 HB2 ALA A 70 7.213 -0.660 -1.698 1.00 22.55 H new ATOM 0 HB3 ALA A 70 6.276 -0.690 -0.185 1.00 22.55 H new ATOM 960 N PHE A 71 4.744 2.400 -0.649 1.00 34.22 N ATOM 961 CA PHE A 71 3.622 3.174 -0.103 1.00 64.34 C ATOM 962 C PHE A 71 2.393 2.266 0.030 1.00 11.41 C ATOM 963 O PHE A 71 2.291 1.261 -0.675 1.00 11.04 O ATOM 964 CB PHE A 71 3.290 4.361 -1.040 1.00 73.30 C ATOM 965 CG PHE A 71 3.839 5.711 -0.597 1.00 51.13 C ATOM 966 CD1 PHE A 71 3.537 6.202 0.689 1.00 41.23 C ATOM 967 CD2 PHE A 71 4.583 6.523 -1.476 1.00 51.54 C ATOM 968 CE1 PHE A 71 3.994 7.464 1.103 1.00 64.34 C ATOM 969 CE2 PHE A 71 5.038 7.790 -1.064 1.00 13.12 C ATOM 970 CZ PHE A 71 4.754 8.260 0.230 1.00 43.30 C ATOM 0 H PHE A 71 4.564 2.085 -1.602 1.00 34.22 H new ATOM 0 HA PHE A 71 3.899 3.562 0.877 1.00 64.34 H new ATOM 0 HB2 PHE A 71 3.678 4.138 -2.034 1.00 73.30 H new ATOM 0 HB3 PHE A 71 2.207 4.439 -1.131 1.00 73.30 H new ATOM 0 HD1 PHE A 71 2.947 5.600 1.365 1.00 41.23 H new ATOM 0 HD2 PHE A 71 4.806 6.171 -2.472 1.00 51.54 H new ATOM 0 HE1 PHE A 71 3.761 7.823 2.094 1.00 64.34 H new ATOM 0 HE2 PHE A 71 5.608 8.404 -1.746 1.00 13.12 H new ATOM 0 HZ PHE A 71 5.117 9.225 0.550 1.00 43.30 H new ATOM 979 N ILE A 72 1.424 2.620 0.876 1.00 1.41 N ATOM 980 CA ILE A 72 0.134 1.944 0.981 1.00 14.12 C ATOM 981 C ILE A 72 -0.951 3.017 1.086 1.00 11.34 C ATOM 982 O ILE A 72 -0.993 3.738 2.089 1.00 14.24 O ATOM 983 CB ILE A 72 0.075 0.994 2.198 1.00 71.20 C ATOM 984 CG1 ILE A 72 1.120 -0.136 2.176 1.00 61.21 C ATOM 985 CG2 ILE A 72 -1.341 0.414 2.307 1.00 13.23 C ATOM 986 CD1 ILE A 72 1.116 -0.959 3.477 1.00 14.43 C ATOM 0 H ILE A 72 1.519 3.404 1.522 1.00 1.41 H new ATOM 0 HA ILE A 72 -0.019 1.325 0.097 1.00 14.12 H new ATOM 0 HB ILE A 72 0.322 1.591 3.076 1.00 71.20 H new ATOM 0 HG12 ILE A 72 0.922 -0.795 1.331 1.00 61.21 H new ATOM 0 HG13 ILE A 72 2.111 0.291 2.022 1.00 61.21 H new ATOM 0 HG21 ILE A 72 -1.394 -0.258 3.163 1.00 13.23 H new ATOM 0 HG22 ILE A 72 -2.057 1.225 2.438 1.00 13.23 H new ATOM 0 HG23 ILE A 72 -1.579 -0.137 1.397 1.00 13.23 H new ATOM 0 HD11 ILE A 72 1.870 -1.744 3.413 1.00 14.43 H new ATOM 0 HD12 ILE A 72 1.341 -0.307 4.321 1.00 14.43 H new ATOM 0 HD13 ILE A 72 0.134 -1.410 3.619 1.00 14.43 H new ATOM 997 N GLN A 73 -1.831 3.096 0.084 1.00 54.10 N ATOM 998 CA GLN A 73 -3.099 3.820 0.189 1.00 2.24 C ATOM 999 C GLN A 73 -3.989 3.130 1.224 1.00 2.23 C ATOM 1000 O GLN A 73 -4.179 1.915 1.138 1.00 54.21 O ATOM 1001 CB GLN A 73 -3.823 3.826 -1.164 1.00 14.11 C ATOM 1002 CG GLN A 73 -3.200 4.778 -2.191 1.00 64.20 C ATOM 1003 CD GLN A 73 -4.022 4.774 -3.478 1.00 10.45 C ATOM 1004 OE1 GLN A 73 -5.210 5.090 -3.481 1.00 53.50 O ATOM 1005 NE2 GLN A 73 -3.444 4.406 -4.604 1.00 32.31 N ATOM 0 H GLN A 73 -1.683 2.658 -0.825 1.00 54.10 H new ATOM 0 HA GLN A 73 -2.894 4.847 0.491 1.00 2.24 H new ATOM 0 HB2 GLN A 73 -3.822 2.815 -1.571 1.00 14.11 H new ATOM 0 HB3 GLN A 73 -4.865 4.106 -1.008 1.00 14.11 H new ATOM 0 HG2 GLN A 73 -3.155 5.787 -1.782 1.00 64.20 H new ATOM 0 HG3 GLN A 73 -2.175 4.475 -2.404 1.00 64.20 H new ATOM 0 HE21 GLN A 73 -2.459 4.142 -4.609 1.00 32.31 H new ATOM 0 HE22 GLN A 73 -3.982 4.385 -5.470 1.00 32.31 H new ATOM 1012 N LEU A 74 -4.532 3.882 2.182 1.00 73.23 N ATOM 1013 CA LEU A 74 -5.405 3.407 3.255 1.00 10.43 C ATOM 1014 C LEU A 74 -6.347 4.560 3.664 1.00 31.23 C ATOM 1015 O LEU A 74 -6.139 5.695 3.232 1.00 23.33 O ATOM 1016 CB LEU A 74 -4.515 2.933 4.431 1.00 70.44 C ATOM 1017 CG LEU A 74 -4.841 1.564 5.051 1.00 14.45 C ATOM 1018 CD1 LEU A 74 -6.263 1.505 5.582 1.00 30.45 C ATOM 1019 CD2 LEU A 74 -4.610 0.392 4.105 1.00 4.05 C ATOM 0 H LEU A 74 -4.367 4.887 2.233 1.00 73.23 H new ATOM 0 HA LEU A 74 -6.021 2.566 2.936 1.00 10.43 H new ATOM 0 HB2 LEU A 74 -3.482 2.910 4.085 1.00 70.44 H new ATOM 0 HB3 LEU A 74 -4.570 3.683 5.220 1.00 70.44 H new ATOM 0 HG LEU A 74 -4.139 1.463 5.878 1.00 14.45 H new ATOM 0 HD11 LEU A 74 -6.451 0.521 6.011 1.00 30.45 H new ATOM 0 HD12 LEU A 74 -6.397 2.267 6.350 1.00 30.45 H new ATOM 0 HD13 LEU A 74 -6.964 1.685 4.767 1.00 30.45 H new ATOM 0 HD21 LEU A 74 -4.861 -0.540 4.612 1.00 4.05 H new ATOM 0 HD22 LEU A 74 -5.240 0.507 3.223 1.00 4.05 H new ATOM 0 HD23 LEU A 74 -3.563 0.370 3.802 1.00 4.05 H new ATOM 1030 N SER A 75 -7.366 4.299 4.487 1.00 32.43 N ATOM 1031 CA SER A 75 -8.249 5.326 5.050 1.00 4.41 C ATOM 1032 C SER A 75 -7.662 5.927 6.335 1.00 50.32 C ATOM 1033 O SER A 75 -6.710 5.403 6.900 1.00 65.41 O ATOM 1034 CB SER A 75 -9.623 4.709 5.331 1.00 14.25 C ATOM 1035 OG SER A 75 -10.517 5.096 4.318 1.00 13.42 O ATOM 0 H SER A 75 -7.605 3.354 4.786 1.00 32.43 H new ATOM 0 HA SER A 75 -8.349 6.135 4.326 1.00 4.41 H new ATOM 0 HB2 SER A 75 -9.546 3.622 5.370 1.00 14.25 H new ATOM 0 HB3 SER A 75 -9.991 5.038 6.303 1.00 14.25 H new ATOM 0 HG SER A 75 -11.398 4.703 4.491 1.00 13.42 H new ATOM 1040 N THR A 76 -8.254 7.007 6.841 1.00 34.15 N ATOM 1041 CA THR A 76 -7.671 7.868 7.863 1.00 23.24 C ATOM 1042 C THR A 76 -7.506 7.193 9.231 1.00 30.24 C ATOM 1043 O THR A 76 -6.394 7.170 9.773 1.00 34.44 O ATOM 1044 CB THR A 76 -8.498 9.163 7.934 1.00 72.41 C ATOM 1045 OG1 THR A 76 -8.898 9.554 6.634 1.00 71.01 O ATOM 1046 CG2 THR A 76 -7.740 10.325 8.581 1.00 74.40 C ATOM 0 H THR A 76 -9.179 7.314 6.541 1.00 34.15 H new ATOM 0 HA THR A 76 -6.647 8.101 7.571 1.00 23.24 H new ATOM 0 HB THR A 76 -9.363 8.940 8.559 1.00 72.41 H new ATOM 0 HG1 THR A 76 -8.138 9.473 6.020 1.00 71.01 H new ATOM 0 HG21 THR A 76 -8.377 11.209 8.601 1.00 74.40 H new ATOM 0 HG22 THR A 76 -7.461 10.055 9.600 1.00 74.40 H new ATOM 0 HG23 THR A 76 -6.841 10.539 8.004 1.00 74.40 H new ATOM 1054 N ILE A 77 -8.588 6.676 9.823 1.00 12.24 N ATOM 1055 CA ILE A 77 -8.500 5.922 11.076 1.00 71.13 C ATOM 1056 C ILE A 77 -7.921 4.539 10.770 1.00 10.24 C ATOM 1057 O ILE A 77 -7.137 4.009 11.550 1.00 71.21 O ATOM 1058 CB ILE A 77 -9.875 5.864 11.787 1.00 24.25 C ATOM 1059 CG1 ILE A 77 -10.231 7.285 12.282 1.00 30.33 C ATOM 1060 CG2 ILE A 77 -9.857 4.875 12.969 1.00 54.01 C ATOM 1061 CD1 ILE A 77 -11.529 7.382 13.093 1.00 45.20 C ATOM 0 H ILE A 77 -9.535 6.766 9.454 1.00 12.24 H new ATOM 0 HA ILE A 77 -7.831 6.423 11.776 1.00 71.13 H new ATOM 0 HB ILE A 77 -10.627 5.510 11.081 1.00 24.25 H new ATOM 0 HG12 ILE A 77 -9.409 7.657 12.894 1.00 30.33 H new ATOM 0 HG13 ILE A 77 -10.310 7.945 11.418 1.00 30.33 H new ATOM 0 HG21 ILE A 77 -10.837 4.859 13.445 1.00 54.01 H new ATOM 0 HG22 ILE A 77 -9.615 3.877 12.605 1.00 54.01 H new ATOM 0 HG23 ILE A 77 -9.106 5.189 13.694 1.00 54.01 H new ATOM 0 HD11 ILE A 77 -11.693 8.416 13.395 1.00 45.20 H new ATOM 0 HD12 ILE A 77 -12.366 7.046 12.481 1.00 45.20 H new ATOM 0 HD13 ILE A 77 -11.452 6.753 13.980 1.00 45.20 H new ATOM 1072 N GLU A 78 -8.261 3.974 9.617 1.00 31.15 N ATOM 1073 CA GLU A 78 -7.857 2.631 9.219 1.00 70.11 C ATOM 1074 C GLU A 78 -6.331 2.530 9.111 1.00 62.42 C ATOM 1075 O GLU A 78 -5.746 1.516 9.479 1.00 73.22 O ATOM 1076 CB GLU A 78 -8.537 2.285 7.890 1.00 4.04 C ATOM 1077 CG GLU A 78 -10.066 2.267 7.977 1.00 42.23 C ATOM 1078 CD GLU A 78 -10.615 0.897 8.366 1.00 13.01 C ATOM 1079 OE1 GLU A 78 -10.590 0.004 7.487 1.00 62.12 O ATOM 1080 OE2 GLU A 78 -11.108 0.735 9.504 1.00 14.33 O ATOM 0 H GLU A 78 -8.836 4.446 8.919 1.00 31.15 H new ATOM 0 HA GLU A 78 -8.170 1.913 9.977 1.00 70.11 H new ATOM 0 HB2 GLU A 78 -8.232 3.009 7.135 1.00 4.04 H new ATOM 0 HB3 GLU A 78 -8.188 1.308 7.555 1.00 4.04 H new ATOM 0 HG2 GLU A 78 -10.393 3.007 8.708 1.00 42.23 H new ATOM 0 HG3 GLU A 78 -10.485 2.562 7.015 1.00 42.23 H new ATOM 1085 N ALA A 79 -5.668 3.592 8.648 1.00 12.04 N ATOM 1086 CA ALA A 79 -4.222 3.687 8.581 1.00 70.42 C ATOM 1087 C ALA A 79 -3.669 3.709 10.003 1.00 13.22 C ATOM 1088 O ALA A 79 -2.740 2.976 10.342 1.00 10.02 O ATOM 1089 CB ALA A 79 -3.787 4.953 7.826 1.00 14.44 C ATOM 0 H ALA A 79 -6.141 4.427 8.302 1.00 12.04 H new ATOM 0 HA ALA A 79 -3.831 2.826 8.039 1.00 70.42 H new ATOM 0 HB1 ALA A 79 -2.699 5.000 7.790 1.00 14.44 H new ATOM 0 HB2 ALA A 79 -4.182 4.925 6.811 1.00 14.44 H new ATOM 0 HB3 ALA A 79 -4.171 5.834 8.341 1.00 14.44 H new ATOM 1095 N ALA A 80 -4.262 4.576 10.824 1.00 30.23 N ATOM 1096 CA ALA A 80 -3.805 4.857 12.162 1.00 3.01 C ATOM 1097 C ALA A 80 -3.879 3.616 13.050 1.00 73.24 C ATOM 1098 O ALA A 80 -2.902 3.307 13.722 1.00 70.20 O ATOM 1099 CB ALA A 80 -4.601 6.031 12.735 1.00 72.43 C ATOM 0 H ALA A 80 -5.091 5.108 10.560 1.00 30.23 H new ATOM 0 HA ALA A 80 -2.753 5.142 12.129 1.00 3.01 H new ATOM 0 HB1 ALA A 80 -4.257 6.245 13.747 1.00 72.43 H new ATOM 0 HB2 ALA A 80 -4.454 6.911 12.108 1.00 72.43 H new ATOM 0 HB3 ALA A 80 -5.660 5.775 12.759 1.00 72.43 H new ATOM 1105 N GLN A 81 -5.011 2.911 13.068 1.00 4.35 N ATOM 1106 CA GLN A 81 -5.183 1.681 13.839 1.00 2.12 C ATOM 1107 C GLN A 81 -4.218 0.604 13.345 1.00 64.20 C ATOM 1108 O GLN A 81 -3.598 -0.081 14.159 1.00 72.12 O ATOM 1109 CB GLN A 81 -6.665 1.251 13.825 1.00 44.10 C ATOM 1110 CG GLN A 81 -7.098 0.612 12.498 1.00 44.02 C ATOM 1111 CD GLN A 81 -8.603 0.568 12.238 1.00 23.24 C ATOM 1112 OE1 GLN A 81 -9.385 1.261 12.878 1.00 12.42 O ATOM 1113 NE2 GLN A 81 -9.031 -0.189 11.240 1.00 4.32 N ATOM 0 H GLN A 81 -5.842 3.181 12.542 1.00 4.35 H new ATOM 0 HA GLN A 81 -4.926 1.854 14.884 1.00 2.12 H new ATOM 0 HB2 GLN A 81 -6.839 0.543 14.635 1.00 44.10 H new ATOM 0 HB3 GLN A 81 -7.291 2.121 14.023 1.00 44.10 H new ATOM 0 HG2 GLN A 81 -6.624 1.158 11.682 1.00 44.02 H new ATOM 0 HG3 GLN A 81 -6.713 -0.407 12.465 1.00 44.02 H new ATOM 0 HE21 GLN A 81 -8.370 -0.762 10.715 1.00 4.32 H new ATOM 0 HE22 GLN A 81 -10.021 -0.200 10.996 1.00 4.32 H new ATOM 1120 N LEU A 82 -4.042 0.474 12.021 1.00 30.15 N ATOM 1121 CA LEU A 82 -3.196 -0.563 11.452 1.00 50.11 C ATOM 1122 C LEU A 82 -1.758 -0.402 11.931 1.00 22.11 C ATOM 1123 O LEU A 82 -1.147 -1.417 12.251 1.00 50.24 O ATOM 1124 CB LEU A 82 -3.289 -0.587 9.914 1.00 45.33 C ATOM 1125 CG LEU A 82 -4.489 -1.402 9.386 1.00 51.41 C ATOM 1126 CD1 LEU A 82 -4.657 -1.184 7.879 1.00 23.25 C ATOM 1127 CD2 LEU A 82 -4.305 -2.909 9.608 1.00 53.14 C ATOM 0 H LEU A 82 -4.481 1.082 11.329 1.00 30.15 H new ATOM 0 HA LEU A 82 -3.558 -1.529 11.804 1.00 50.11 H new ATOM 0 HB2 LEU A 82 -3.364 0.436 9.546 1.00 45.33 H new ATOM 0 HB3 LEU A 82 -2.368 -1.005 9.508 1.00 45.33 H new ATOM 0 HG LEU A 82 -5.363 -1.056 9.938 1.00 51.41 H new ATOM 0 HD11 LEU A 82 -5.507 -1.765 7.520 1.00 23.25 H new ATOM 0 HD12 LEU A 82 -4.831 -0.126 7.682 1.00 23.25 H new ATOM 0 HD13 LEU A 82 -3.753 -1.506 7.362 1.00 23.25 H new ATOM 0 HD21 LEU A 82 -5.173 -3.442 9.221 1.00 53.14 H new ATOM 0 HD22 LEU A 82 -3.409 -3.247 9.087 1.00 53.14 H new ATOM 0 HD23 LEU A 82 -4.201 -3.110 10.674 1.00 53.14 H new ATOM 1138 N LEU A 83 -1.230 0.821 12.068 1.00 31.53 N ATOM 1139 CA LEU A 83 0.124 1.049 12.570 1.00 12.02 C ATOM 1140 C LEU A 83 0.382 0.275 13.867 1.00 63.34 C ATOM 1141 O LEU A 83 1.413 -0.385 13.997 1.00 21.33 O ATOM 1142 CB LEU A 83 0.349 2.557 12.772 1.00 22.24 C ATOM 1143 CG LEU A 83 1.657 2.909 13.504 1.00 23.51 C ATOM 1144 CD1 LEU A 83 2.903 2.444 12.753 1.00 54.04 C ATOM 1145 CD2 LEU A 83 1.737 4.420 13.713 1.00 1.15 C ATOM 0 H LEU A 83 -1.732 1.677 11.833 1.00 31.53 H new ATOM 0 HA LEU A 83 0.835 0.678 11.832 1.00 12.02 H new ATOM 0 HB2 LEU A 83 0.348 3.046 11.798 1.00 22.24 H new ATOM 0 HB3 LEU A 83 -0.490 2.966 13.335 1.00 22.24 H new ATOM 0 HG LEU A 83 1.636 2.384 14.459 1.00 23.51 H new ATOM 0 HD11 LEU A 83 3.793 2.721 13.318 1.00 54.04 H new ATOM 0 HD12 LEU A 83 2.872 1.361 12.632 1.00 54.04 H new ATOM 0 HD13 LEU A 83 2.935 2.918 11.772 1.00 54.04 H new ATOM 0 HD21 LEU A 83 2.664 4.667 14.231 1.00 1.15 H new ATOM 0 HD22 LEU A 83 1.717 4.923 12.746 1.00 1.15 H new ATOM 0 HD23 LEU A 83 0.888 4.750 14.311 1.00 1.15 H new ATOM 1156 N GLN A 84 -0.552 0.310 14.817 1.00 11.43 N ATOM 1157 CA GLN A 84 -0.361 -0.312 16.128 1.00 62.53 C ATOM 1158 C GLN A 84 -0.392 -1.841 16.056 1.00 45.00 C ATOM 1159 O GLN A 84 -0.058 -2.510 17.036 1.00 43.23 O ATOM 1160 CB GLN A 84 -1.420 0.194 17.123 1.00 13.04 C ATOM 1161 CG GLN A 84 -1.100 1.578 17.701 1.00 43.04 C ATOM 1162 CD GLN A 84 -1.404 2.686 16.703 1.00 12.31 C ATOM 1163 OE1 GLN A 84 -0.508 3.302 16.127 1.00 44.13 O ATOM 1164 NE2 GLN A 84 -2.677 2.938 16.456 1.00 45.24 N ATOM 0 H GLN A 84 -1.457 0.767 14.702 1.00 11.43 H new ATOM 0 HA GLN A 84 0.630 -0.023 16.478 1.00 62.53 H new ATOM 0 HB2 GLN A 84 -2.388 0.232 16.624 1.00 13.04 H new ATOM 0 HB3 GLN A 84 -1.511 -0.521 17.941 1.00 13.04 H new ATOM 0 HG2 GLN A 84 -1.681 1.737 18.610 1.00 43.04 H new ATOM 0 HG3 GLN A 84 -0.048 1.621 17.984 1.00 43.04 H new ATOM 0 HE21 GLN A 84 -3.404 2.416 16.944 1.00 45.24 H new ATOM 0 HE22 GLN A 84 -2.933 3.655 15.777 1.00 45.24 H new ATOM 1171 N ILE A 85 -0.792 -2.397 14.920 1.00 43.22 N ATOM 1172 CA ILE A 85 -0.803 -3.816 14.621 1.00 32.42 C ATOM 1173 C ILE A 85 0.483 -4.154 13.847 1.00 5.04 C ATOM 1174 O ILE A 85 1.113 -5.172 14.133 1.00 22.21 O ATOM 1175 CB ILE A 85 -2.104 -4.154 13.857 1.00 4.04 C ATOM 1176 CG1 ILE A 85 -3.353 -3.656 14.628 1.00 23.11 C ATOM 1177 CG2 ILE A 85 -2.193 -5.675 13.633 1.00 44.11 C ATOM 1178 CD1 ILE A 85 -4.692 -3.938 13.944 1.00 70.44 C ATOM 0 H ILE A 85 -1.136 -1.835 14.141 1.00 43.22 H new ATOM 0 HA ILE A 85 -0.805 -4.431 15.521 1.00 32.42 H new ATOM 0 HB ILE A 85 -2.079 -3.644 12.894 1.00 4.04 H new ATOM 0 HG12 ILE A 85 -3.361 -4.120 15.614 1.00 23.11 H new ATOM 0 HG13 ILE A 85 -3.261 -2.581 14.783 1.00 23.11 H new ATOM 0 HG21 ILE A 85 -3.111 -5.910 13.094 1.00 44.11 H new ATOM 0 HG22 ILE A 85 -1.334 -6.008 13.050 1.00 44.11 H new ATOM 0 HG23 ILE A 85 -2.197 -6.185 14.596 1.00 44.11 H new ATOM 0 HD11 ILE A 85 -5.504 -3.552 14.560 1.00 70.44 H new ATOM 0 HD12 ILE A 85 -4.713 -3.450 12.970 1.00 70.44 H new ATOM 0 HD13 ILE A 85 -4.815 -5.013 13.814 1.00 70.44 H new ATOM 1189 N LEU A 86 0.904 -3.292 12.911 1.00 2.22 N ATOM 1190 CA LEU A 86 2.111 -3.483 12.101 1.00 74.31 C ATOM 1191 C LEU A 86 3.368 -3.467 12.963 1.00 50.32 C ATOM 1192 O LEU A 86 4.333 -4.151 12.635 1.00 24.25 O ATOM 1193 CB LEU A 86 2.225 -2.414 10.999 1.00 63.20 C ATOM 1194 CG LEU A 86 1.549 -2.785 9.670 1.00 21.13 C ATOM 1195 CD1 LEU A 86 0.022 -2.776 9.732 1.00 44.31 C ATOM 1196 CD2 LEU A 86 1.945 -1.773 8.595 1.00 2.34 C ATOM 0 H LEU A 86 0.406 -2.429 12.693 1.00 2.22 H new ATOM 0 HA LEU A 86 2.023 -4.462 11.630 1.00 74.31 H new ATOM 0 HB2 LEU A 86 1.788 -1.486 11.366 1.00 63.20 H new ATOM 0 HB3 LEU A 86 3.280 -2.217 10.811 1.00 63.20 H new ATOM 0 HG LEU A 86 1.883 -3.798 9.445 1.00 21.13 H new ATOM 0 HD11 LEU A 86 -0.383 -3.048 8.757 1.00 44.31 H new ATOM 0 HD12 LEU A 86 -0.316 -3.495 10.479 1.00 44.31 H new ATOM 0 HD13 LEU A 86 -0.325 -1.779 10.004 1.00 44.31 H new ATOM 0 HD21 LEU A 86 1.465 -2.037 7.653 1.00 2.34 H new ATOM 0 HD22 LEU A 86 1.625 -0.776 8.898 1.00 2.34 H new ATOM 0 HD23 LEU A 86 3.027 -1.784 8.466 1.00 2.34 H new ATOM 1207 N GLN A 87 3.352 -2.738 14.084 1.00 65.31 N ATOM 1208 CA GLN A 87 4.454 -2.725 15.042 1.00 30.52 C ATOM 1209 C GLN A 87 4.755 -4.123 15.611 1.00 13.22 C ATOM 1210 O GLN A 87 5.861 -4.346 16.103 1.00 44.01 O ATOM 1211 CB GLN A 87 4.155 -1.700 16.151 1.00 34.24 C ATOM 1212 CG GLN A 87 4.276 -0.232 15.686 1.00 43.34 C ATOM 1213 CD GLN A 87 5.717 0.239 15.484 1.00 42.12 C ATOM 1214 OE1 GLN A 87 6.646 -0.560 15.413 1.00 25.43 O ATOM 1215 NE2 GLN A 87 5.963 1.539 15.379 1.00 52.41 N ATOM 0 H GLN A 87 2.570 -2.140 14.350 1.00 65.31 H new ATOM 0 HA GLN A 87 5.361 -2.422 14.519 1.00 30.52 H new ATOM 0 HB2 GLN A 87 3.147 -1.870 16.529 1.00 34.24 H new ATOM 0 HB3 GLN A 87 4.840 -1.867 16.982 1.00 34.24 H new ATOM 0 HG2 GLN A 87 3.731 -0.112 14.750 1.00 43.34 H new ATOM 0 HG3 GLN A 87 3.794 0.412 16.421 1.00 43.34 H new ATOM 0 HE21 GLN A 87 5.196 2.209 15.437 1.00 52.41 H new ATOM 0 HE22 GLN A 87 6.919 1.868 15.240 1.00 52.41 H new ATOM 1222 N ALA A 88 3.813 -5.068 15.511 1.00 50.42 N ATOM 1223 CA ALA A 88 3.865 -6.373 16.146 1.00 4.25 C ATOM 1224 C ALA A 88 3.960 -7.533 15.142 1.00 22.13 C ATOM 1225 O ALA A 88 3.788 -8.687 15.546 1.00 74.11 O ATOM 1226 CB ALA A 88 2.626 -6.509 17.041 1.00 12.12 C ATOM 0 H ALA A 88 2.964 -4.931 14.962 1.00 50.42 H new ATOM 0 HA ALA A 88 4.778 -6.438 16.738 1.00 4.25 H new ATOM 0 HB1 ALA A 88 2.637 -7.482 17.533 1.00 12.12 H new ATOM 0 HB2 ALA A 88 2.633 -5.721 17.795 1.00 12.12 H new ATOM 0 HB3 ALA A 88 1.726 -6.420 16.432 1.00 12.12 H new ATOM 1232 N LEU A 89 4.167 -7.295 13.839 1.00 4.41 N ATOM 1233 CA LEU A 89 4.226 -8.379 12.853 1.00 32.43 C ATOM 1234 C LEU A 89 5.071 -8.011 11.639 1.00 53.10 C ATOM 1235 O LEU A 89 5.353 -6.837 11.403 1.00 23.41 O ATOM 1236 CB LEU A 89 2.804 -8.804 12.442 1.00 43.04 C ATOM 1237 CG LEU A 89 2.002 -7.747 11.654 1.00 61.51 C ATOM 1238 CD1 LEU A 89 2.163 -7.888 10.135 1.00 51.32 C ATOM 1239 CD2 LEU A 89 0.520 -7.895 12.000 1.00 34.43 C ATOM 0 H LEU A 89 4.296 -6.363 13.446 1.00 4.41 H new ATOM 0 HA LEU A 89 4.720 -9.229 13.325 1.00 32.43 H new ATOM 0 HB2 LEU A 89 2.873 -9.709 11.838 1.00 43.04 H new ATOM 0 HB3 LEU A 89 2.246 -9.064 13.342 1.00 43.04 H new ATOM 0 HG LEU A 89 2.388 -6.768 11.938 1.00 61.51 H new ATOM 0 HD11 LEU A 89 1.576 -7.118 9.634 1.00 51.32 H new ATOM 0 HD12 LEU A 89 3.214 -7.775 9.868 1.00 51.32 H new ATOM 0 HD13 LEU A 89 1.813 -8.872 9.822 1.00 51.32 H new ATOM 0 HD21 LEU A 89 -0.058 -7.153 11.449 1.00 34.43 H new ATOM 0 HD22 LEU A 89 0.181 -8.894 11.728 1.00 34.43 H new ATOM 0 HD23 LEU A 89 0.379 -7.743 13.070 1.00 34.43 H new ATOM 1250 N HIS A 90 5.438 -9.025 10.853 1.00 34.31 N ATOM 1251 CA HIS A 90 6.226 -8.929 9.628 1.00 44.12 C ATOM 1252 C HIS A 90 5.788 -10.054 8.681 1.00 74.54 C ATOM 1253 O HIS A 90 5.333 -11.086 9.170 1.00 72.54 O ATOM 1254 CB HIS A 90 7.713 -9.084 9.976 1.00 24.53 C ATOM 1255 CG HIS A 90 8.284 -7.843 10.609 1.00 35.21 C ATOM 1256 ND1 HIS A 90 8.382 -7.561 11.959 1.00 74.32 N ATOM 1257 CD2 HIS A 90 8.713 -6.743 9.919 1.00 72.31 C ATOM 1258 CE1 HIS A 90 8.848 -6.306 12.070 1.00 61.14 C ATOM 1259 NE2 HIS A 90 9.073 -5.774 10.858 1.00 62.41 N ATOM 0 H HIS A 90 5.178 -9.987 11.068 1.00 34.31 H new ATOM 0 HA HIS A 90 6.072 -7.963 9.147 1.00 44.12 H new ATOM 0 HB2 HIS A 90 7.839 -9.927 10.656 1.00 24.53 H new ATOM 0 HB3 HIS A 90 8.273 -9.318 9.071 1.00 24.53 H new ATOM 0 HD2 HIS A 90 8.764 -6.642 8.845 1.00 72.31 H new ATOM 0 HE1 HIS A 90 9.018 -5.795 13.006 1.00 61.14 H new ATOM 0 HE2 HIS A 90 9.437 -4.842 10.661 1.00 62.41 H new ATOM 1266 N PRO A 91 5.917 -9.900 7.351 1.00 23.34 N ATOM 1267 CA PRO A 91 5.445 -10.908 6.404 1.00 71.14 C ATOM 1268 C PRO A 91 6.377 -12.120 6.297 1.00 62.33 C ATOM 1269 O PRO A 91 7.583 -11.978 6.522 1.00 15.44 O ATOM 1270 CB PRO A 91 5.393 -10.198 5.052 1.00 4.22 C ATOM 1271 CG PRO A 91 6.429 -9.083 5.178 1.00 11.11 C ATOM 1272 CD PRO A 91 6.410 -8.720 6.659 1.00 2.04 C ATOM 0 HA PRO A 91 4.482 -11.298 6.733 1.00 71.14 H new ATOM 0 HB2 PRO A 91 5.636 -10.878 4.235 1.00 4.22 H new ATOM 0 HB3 PRO A 91 4.399 -9.798 4.849 1.00 4.22 H new ATOM 0 HG2 PRO A 91 7.417 -9.420 4.863 1.00 11.11 H new ATOM 0 HG3 PRO A 91 6.170 -8.227 4.555 1.00 11.11 H new ATOM 0 HD2 PRO A 91 7.407 -8.450 7.008 1.00 2.04 H new ATOM 0 HD3 PRO A 91 5.765 -7.861 6.843 1.00 2.04 H new ATOM 1277 N PRO A 92 5.863 -13.262 5.800 1.00 64.33 N ATOM 1278 CA PRO A 92 6.673 -14.434 5.483 1.00 64.42 C ATOM 1279 C PRO A 92 7.634 -14.183 4.317 1.00 33.13 C ATOM 1280 O PRO A 92 8.694 -14.811 4.250 1.00 43.03 O ATOM 1281 CB PRO A 92 5.662 -15.547 5.176 1.00 21.12 C ATOM 1282 CG PRO A 92 4.441 -14.795 4.654 1.00 34.33 C ATOM 1283 CD PRO A 92 4.461 -13.514 5.483 1.00 60.22 C ATOM 0 HA PRO A 92 7.327 -14.703 6.313 1.00 64.42 H new ATOM 0 HB2 PRO A 92 6.049 -16.246 4.434 1.00 21.12 H new ATOM 0 HB3 PRO A 92 5.423 -16.128 6.067 1.00 21.12 H new ATOM 0 HG2 PRO A 92 4.518 -14.588 3.586 1.00 34.33 H new ATOM 0 HG3 PRO A 92 3.522 -15.361 4.804 1.00 34.33 H new ATOM 0 HD2 PRO A 92 4.031 -12.682 4.926 1.00 60.22 H new ATOM 0 HD3 PRO A 92 3.870 -13.628 6.392 1.00 60.22 H new ATOM 1288 N LEU A 93 7.285 -13.279 3.397 1.00 23.34 N ATOM 1289 CA LEU A 93 8.073 -13.004 2.207 1.00 40.41 C ATOM 1290 C LEU A 93 9.297 -12.170 2.593 1.00 13.35 C ATOM 1291 O LEU A 93 9.162 -10.973 2.873 1.00 42.23 O ATOM 1292 CB LEU A 93 7.201 -12.295 1.150 1.00 61.21 C ATOM 1293 CG LEU A 93 7.479 -12.730 -0.298 1.00 42.42 C ATOM 1294 CD1 LEU A 93 8.973 -12.745 -0.653 1.00 62.43 C ATOM 1295 CD2 LEU A 93 6.820 -14.090 -0.525 1.00 31.14 C ATOM 0 H LEU A 93 6.438 -12.715 3.464 1.00 23.34 H new ATOM 0 HA LEU A 93 8.425 -13.936 1.766 1.00 40.41 H new ATOM 0 HB2 LEU A 93 6.152 -12.482 1.378 1.00 61.21 H new ATOM 0 HB3 LEU A 93 7.358 -11.219 1.230 1.00 61.21 H new ATOM 0 HG LEU A 93 7.046 -11.991 -0.972 1.00 42.42 H new ATOM 0 HD11 LEU A 93 9.098 -13.061 -1.689 1.00 62.43 H new ATOM 0 HD12 LEU A 93 9.387 -11.745 -0.526 1.00 62.43 H new ATOM 0 HD13 LEU A 93 9.496 -13.440 0.004 1.00 62.43 H new ATOM 0 HD21 LEU A 93 7.005 -14.418 -1.548 1.00 31.14 H new ATOM 0 HD22 LEU A 93 7.238 -14.818 0.171 1.00 31.14 H new ATOM 0 HD23 LEU A 93 5.746 -14.006 -0.360 1.00 31.14 H new ATOM 1306 N THR A 94 10.476 -12.784 2.595 1.00 54.00 N ATOM 1307 CA THR A 94 11.763 -12.192 2.935 1.00 52.10 C ATOM 1308 C THR A 94 12.738 -12.499 1.792 1.00 62.33 C ATOM 1309 O THR A 94 13.674 -13.297 1.903 1.00 62.24 O ATOM 1310 CB THR A 94 12.255 -12.742 4.268 1.00 40.03 C ATOM 1311 OG1 THR A 94 11.215 -12.824 5.231 1.00 32.22 O ATOM 1312 CG2 THR A 94 13.365 -11.869 4.843 1.00 40.41 C ATOM 0 H THR A 94 10.562 -13.769 2.344 1.00 54.00 H new ATOM 0 HA THR A 94 11.679 -11.111 3.051 1.00 52.10 H new ATOM 0 HB THR A 94 12.630 -13.744 4.061 1.00 40.03 H new ATOM 0 HG1 THR A 94 11.573 -13.183 6.070 1.00 32.22 H new ATOM 0 HG21 THR A 94 13.698 -12.284 5.794 1.00 40.41 H new ATOM 0 HG22 THR A 94 14.203 -11.840 4.146 1.00 40.41 H new ATOM 0 HG23 THR A 94 12.989 -10.858 5.000 1.00 40.41 H new ATOM 1320 N ILE A 95 12.487 -11.845 0.670 1.00 13.34 N ATOM 1321 CA ILE A 95 13.289 -11.968 -0.537 1.00 63.42 C ATOM 1322 C ILE A 95 14.678 -11.411 -0.230 1.00 33.33 C ATOM 1323 O ILE A 95 14.785 -10.333 0.353 1.00 44.32 O ATOM 1324 CB ILE A 95 12.609 -11.243 -1.724 1.00 53.43 C ATOM 1325 CG1 ILE A 95 13.327 -11.480 -3.070 1.00 33.11 C ATOM 1326 CG2 ILE A 95 12.493 -9.739 -1.468 1.00 15.41 C ATOM 1327 CD1 ILE A 95 13.370 -12.952 -3.494 1.00 12.31 C ATOM 0 H ILE A 95 11.703 -11.200 0.570 1.00 13.34 H new ATOM 0 HA ILE A 95 13.382 -13.012 -0.838 1.00 63.42 H new ATOM 0 HB ILE A 95 11.612 -11.678 -1.799 1.00 53.43 H new ATOM 0 HG12 ILE A 95 12.825 -10.902 -3.846 1.00 33.11 H new ATOM 0 HG13 ILE A 95 14.347 -11.101 -2.999 1.00 33.11 H new ATOM 0 HG21 ILE A 95 12.011 -9.261 -2.321 1.00 15.41 H new ATOM 0 HG22 ILE A 95 11.897 -9.567 -0.571 1.00 15.41 H new ATOM 0 HG23 ILE A 95 13.488 -9.316 -1.329 1.00 15.41 H new ATOM 0 HD11 ILE A 95 13.889 -13.041 -4.448 1.00 12.31 H new ATOM 0 HD12 ILE A 95 13.898 -13.533 -2.738 1.00 12.31 H new ATOM 0 HD13 ILE A 95 12.353 -13.331 -3.598 1.00 12.31 H new ATOM 1338 N ASP A 96 15.723 -12.129 -0.637 1.00 64.11 N ATOM 1339 CA ASP A 96 17.134 -11.746 -0.465 1.00 60.31 C ATOM 1340 C ASP A 96 17.396 -11.224 0.961 1.00 61.41 C ATOM 1341 O ASP A 96 17.992 -10.169 1.167 1.00 21.23 O ATOM 1342 CB ASP A 96 17.491 -10.746 -1.570 1.00 71.42 C ATOM 1343 CG ASP A 96 18.973 -10.584 -1.893 1.00 73.22 C ATOM 1344 OD1 ASP A 96 19.742 -10.015 -1.080 1.00 31.42 O ATOM 1345 OD2 ASP A 96 19.316 -10.809 -3.072 1.00 12.45 O ATOM 0 H ASP A 96 15.613 -13.025 -1.112 1.00 64.11 H new ATOM 0 HA ASP A 96 17.790 -12.610 -0.568 1.00 60.31 H new ATOM 0 HB2 ASP A 96 16.975 -11.047 -2.482 1.00 71.42 H new ATOM 0 HB3 ASP A 96 17.096 -9.770 -1.287 1.00 71.42 H new ATOM 1349 N GLY A 97 16.841 -11.916 1.962 1.00 12.04 N ATOM 1350 CA GLY A 97 16.992 -11.576 3.370 1.00 55.24 C ATOM 1351 C GLY A 97 16.378 -10.232 3.788 1.00 73.24 C ATOM 1352 O GLY A 97 16.625 -9.799 4.916 1.00 52.32 O ATOM 0 H GLY A 97 16.264 -12.743 1.807 1.00 12.04 H new ATOM 0 HA2 GLY A 97 16.539 -12.366 3.969 1.00 55.24 H new ATOM 0 HA3 GLY A 97 18.055 -11.563 3.612 1.00 55.24 H new ATOM 1356 N LYS A 98 15.575 -9.545 2.959 1.00 23.32 N ATOM 1357 CA LYS A 98 15.075 -8.218 3.320 1.00 73.33 C ATOM 1358 C LYS A 98 13.768 -8.328 4.074 1.00 21.52 C ATOM 1359 O LYS A 98 12.690 -8.501 3.490 1.00 64.10 O ATOM 1360 CB LYS A 98 14.985 -7.245 2.137 1.00 3.11 C ATOM 1361 CG LYS A 98 16.317 -6.573 1.790 1.00 33.51 C ATOM 1362 CD LYS A 98 16.809 -5.642 2.911 1.00 0.35 C ATOM 1363 CE LYS A 98 18.038 -4.833 2.516 1.00 75.34 C ATOM 1364 NZ LYS A 98 19.314 -5.548 2.743 1.00 52.10 N ATOM 0 H LYS A 98 15.265 -9.884 2.049 1.00 23.32 H new ATOM 0 HA LYS A 98 15.818 -7.776 3.984 1.00 73.33 H new ATOM 0 HB2 LYS A 98 14.621 -7.783 1.262 1.00 3.11 H new ATOM 0 HB3 LYS A 98 14.249 -6.475 2.367 1.00 3.11 H new ATOM 0 HG2 LYS A 98 17.069 -7.339 1.600 1.00 33.51 H new ATOM 0 HG3 LYS A 98 16.204 -6.001 0.869 1.00 33.51 H new ATOM 0 HD2 LYS A 98 16.005 -4.960 3.188 1.00 0.35 H new ATOM 0 HD3 LYS A 98 17.041 -6.237 3.794 1.00 0.35 H new ATOM 0 HE2 LYS A 98 17.963 -4.565 1.462 1.00 75.34 H new ATOM 0 HE3 LYS A 98 18.047 -3.901 3.082 1.00 75.34 H new ATOM 0 HZ1 LYS A 98 20.108 -4.942 2.454 1.00 52.10 H new ATOM 0 HZ2 LYS A 98 19.406 -5.781 3.752 1.00 52.10 H new ATOM 0 HZ3 LYS A 98 19.325 -6.424 2.183 1.00 52.10 H new ATOM 1374 N THR A 99 13.897 -8.191 5.380 1.00 15.13 N ATOM 1375 CA THR A 99 12.829 -8.030 6.351 1.00 33.22 C ATOM 1376 C THR A 99 12.274 -6.612 6.240 1.00 22.52 C ATOM 1377 O THR A 99 13.047 -5.655 6.238 1.00 52.02 O ATOM 1378 CB THR A 99 13.431 -8.264 7.747 1.00 55.03 C ATOM 1379 OG1 THR A 99 14.746 -7.732 7.804 1.00 1.31 O ATOM 1380 CG2 THR A 99 13.474 -9.758 8.056 1.00 14.11 C ATOM 0 H THR A 99 14.816 -8.189 5.823 1.00 15.13 H new ATOM 0 HA THR A 99 12.018 -8.737 6.174 1.00 33.22 H new ATOM 0 HB THR A 99 12.806 -7.762 8.485 1.00 55.03 H new ATOM 0 HG1 THR A 99 14.766 -6.861 7.356 1.00 1.31 H new ATOM 0 HG21 THR A 99 13.902 -9.913 9.047 1.00 14.11 H new ATOM 0 HG22 THR A 99 12.463 -10.164 8.030 1.00 14.11 H new ATOM 0 HG23 THR A 99 14.088 -10.266 7.312 1.00 14.11 H new ATOM 1388 N ILE A 100 10.954 -6.455 6.169 1.00 51.13 N ATOM 1389 CA ILE A 100 10.322 -5.133 6.075 1.00 53.13 C ATOM 1390 C ILE A 100 10.507 -4.365 7.406 1.00 35.51 C ATOM 1391 O ILE A 100 10.938 -4.940 8.408 1.00 14.44 O ATOM 1392 CB ILE A 100 8.832 -5.293 5.650 1.00 55.33 C ATOM 1393 CG1 ILE A 100 8.630 -6.208 4.419 1.00 20.35 C ATOM 1394 CG2 ILE A 100 8.172 -3.943 5.319 1.00 40.32 C ATOM 1395 CD1 ILE A 100 9.162 -5.619 3.109 1.00 11.32 C ATOM 0 H ILE A 100 10.293 -7.232 6.175 1.00 51.13 H new ATOM 0 HA ILE A 100 10.804 -4.532 5.303 1.00 53.13 H new ATOM 0 HB ILE A 100 8.363 -5.752 6.521 1.00 55.33 H new ATOM 0 HG12 ILE A 100 9.124 -7.162 4.603 1.00 20.35 H new ATOM 0 HG13 ILE A 100 7.566 -6.417 4.306 1.00 20.35 H new ATOM 0 HG21 ILE A 100 7.134 -4.107 5.028 1.00 40.32 H new ATOM 0 HG22 ILE A 100 8.205 -3.297 6.196 1.00 40.32 H new ATOM 0 HG23 ILE A 100 8.708 -3.468 4.498 1.00 40.32 H new ATOM 0 HD11 ILE A 100 8.982 -6.321 2.295 1.00 11.32 H new ATOM 0 HD12 ILE A 100 8.650 -4.680 2.898 1.00 11.32 H new ATOM 0 HD13 ILE A 100 10.233 -5.436 3.201 1.00 11.32 H new ATOM 1406 N ASN A 101 10.181 -3.071 7.426 1.00 44.42 N ATOM 1407 CA ASN A 101 9.939 -2.266 8.616 1.00 30.12 C ATOM 1408 C ASN A 101 8.638 -1.494 8.421 1.00 41.43 C ATOM 1409 O ASN A 101 8.296 -1.114 7.295 1.00 44.43 O ATOM 1410 CB ASN A 101 11.034 -1.211 8.842 1.00 23.12 C ATOM 1411 CG ASN A 101 11.256 -0.881 10.309 1.00 31.11 C ATOM 1412 OD1 ASN A 101 10.388 -1.070 11.155 1.00 2.24 O ATOM 1413 ND2 ASN A 101 12.404 -0.325 10.633 1.00 24.21 N ATOM 0 H ASN A 101 10.074 -2.533 6.566 1.00 44.42 H new ATOM 0 HA ASN A 101 9.912 -2.948 9.466 1.00 30.12 H new ATOM 0 HB2 ASN A 101 11.969 -1.570 8.412 1.00 23.12 H new ATOM 0 HB3 ASN A 101 10.766 -0.299 8.308 1.00 23.12 H new ATOM 0 HD21 ASN A 101 12.581 -0.045 11.598 1.00 24.21 H new ATOM 0 HD22 ASN A 101 13.117 -0.174 9.919 1.00 24.21 H new ATOM 1419 N VAL A 102 8.012 -1.151 9.538 1.00 32.32 N ATOM 1420 CA VAL A 102 6.803 -0.355 9.652 1.00 41.14 C ATOM 1421 C VAL A 102 7.174 1.132 9.774 1.00 74.21 C ATOM 1422 O VAL A 102 8.258 1.442 10.272 1.00 71.54 O ATOM 1423 CB VAL A 102 5.993 -0.916 10.849 1.00 54.02 C ATOM 1424 CG1 VAL A 102 6.832 -1.207 12.102 1.00 43.32 C ATOM 1425 CG2 VAL A 102 4.815 -0.032 11.275 1.00 23.12 C ATOM 0 H VAL A 102 8.362 -1.443 10.451 1.00 32.32 H new ATOM 0 HA VAL A 102 6.171 -0.420 8.766 1.00 41.14 H new ATOM 0 HB VAL A 102 5.616 -1.856 10.445 1.00 54.02 H new ATOM 0 HG11 VAL A 102 6.187 -1.596 12.890 1.00 43.32 H new ATOM 0 HG12 VAL A 102 7.598 -1.945 11.864 1.00 43.32 H new ATOM 0 HG13 VAL A 102 7.307 -0.287 12.443 1.00 43.32 H new ATOM 0 HG21 VAL A 102 4.300 -0.494 12.117 1.00 23.12 H new ATOM 0 HG22 VAL A 102 5.185 0.950 11.570 1.00 23.12 H new ATOM 0 HG23 VAL A 102 4.122 0.077 10.441 1.00 23.12 H new ATOM 1435 N GLU A 103 6.289 2.048 9.348 1.00 4.01 N ATOM 1436 CA GLU A 103 6.241 3.486 9.644 1.00 22.13 C ATOM 1437 C GLU A 103 4.994 4.080 8.957 1.00 32.43 C ATOM 1438 O GLU A 103 4.509 3.547 7.956 1.00 33.54 O ATOM 1439 CB GLU A 103 7.554 4.191 9.235 1.00 11.35 C ATOM 1440 CG GLU A 103 7.547 5.723 9.324 1.00 53.23 C ATOM 1441 CD GLU A 103 8.966 6.263 9.570 1.00 11.05 C ATOM 1442 OE1 GLU A 103 9.378 6.372 10.749 1.00 22.23 O ATOM 1443 OE2 GLU A 103 9.685 6.555 8.584 1.00 34.25 O ATOM 0 H GLU A 103 5.522 1.775 8.734 1.00 4.01 H new ATOM 0 HA GLU A 103 6.154 3.648 10.718 1.00 22.13 H new ATOM 0 HB2 GLU A 103 8.359 3.813 9.866 1.00 11.35 H new ATOM 0 HB3 GLU A 103 7.792 3.907 8.210 1.00 11.35 H new ATOM 0 HG2 GLU A 103 7.148 6.143 8.401 1.00 53.23 H new ATOM 0 HG3 GLU A 103 6.887 6.042 10.131 1.00 53.23 H new ATOM 1448 N PHE A 104 4.461 5.192 9.472 1.00 64.22 N ATOM 1449 CA PHE A 104 3.203 5.786 9.031 1.00 53.02 C ATOM 1450 C PHE A 104 3.464 7.194 8.498 1.00 4.14 C ATOM 1451 O PHE A 104 3.695 8.127 9.269 1.00 32.51 O ATOM 1452 CB PHE A 104 2.210 5.761 10.202 1.00 74.54 C ATOM 1453 CG PHE A 104 0.811 6.319 9.977 1.00 73.52 C ATOM 1454 CD1 PHE A 104 0.233 6.371 8.694 1.00 44.10 C ATOM 1455 CD2 PHE A 104 0.047 6.730 11.088 1.00 44.04 C ATOM 1456 CE1 PHE A 104 -1.084 6.826 8.527 1.00 12.02 C ATOM 1457 CE2 PHE A 104 -1.282 7.157 10.925 1.00 42.00 C ATOM 1458 CZ PHE A 104 -1.854 7.195 9.644 1.00 30.33 C ATOM 0 H PHE A 104 4.907 5.715 10.226 1.00 64.22 H new ATOM 0 HA PHE A 104 2.762 5.217 8.213 1.00 53.02 H new ATOM 0 HB2 PHE A 104 2.106 4.726 10.527 1.00 74.54 H new ATOM 0 HB3 PHE A 104 2.658 6.312 11.029 1.00 74.54 H new ATOM 0 HD1 PHE A 104 0.806 6.059 7.834 1.00 44.10 H new ATOM 0 HD2 PHE A 104 0.487 6.717 12.074 1.00 44.04 H new ATOM 0 HE1 PHE A 104 -1.508 6.893 7.536 1.00 12.02 H new ATOM 0 HE2 PHE A 104 -1.863 7.456 11.785 1.00 42.00 H new ATOM 0 HZ PHE A 104 -2.880 7.506 9.517 1.00 30.33 H new ATOM 1467 N ALA A 105 3.434 7.363 7.176 1.00 70.33 N ATOM 1468 CA ALA A 105 3.640 8.639 6.488 1.00 10.03 C ATOM 1469 C ALA A 105 2.422 9.581 6.590 1.00 13.05 C ATOM 1470 O ALA A 105 2.143 10.342 5.661 1.00 32.04 O ATOM 1471 CB ALA A 105 4.030 8.361 5.030 1.00 23.41 C ATOM 0 H ALA A 105 3.260 6.591 6.533 1.00 70.33 H new ATOM 0 HA ALA A 105 4.452 9.170 6.985 1.00 10.03 H new ATOM 0 HB1 ALA A 105 4.186 9.305 4.509 1.00 23.41 H new ATOM 0 HB2 ALA A 105 4.950 7.776 5.004 1.00 23.41 H new ATOM 0 HB3 ALA A 105 3.232 7.803 4.540 1.00 23.41 H new ATOM 1477 N LYS A 106 1.660 9.537 7.691 1.00 61.43 N ATOM 1478 CA LYS A 106 0.658 10.556 7.975 1.00 43.00 C ATOM 1479 C LYS A 106 1.366 11.853 8.325 1.00 11.23 C ATOM 1480 O LYS A 106 2.231 11.873 9.201 1.00 13.02 O ATOM 1481 CB LYS A 106 -0.319 10.095 9.065 1.00 3.45 C ATOM 1482 CG LYS A 106 -0.989 11.234 9.857 1.00 33.34 C ATOM 1483 CD LYS A 106 -2.367 10.837 10.391 1.00 54.30 C ATOM 1484 CE LYS A 106 -2.716 11.646 11.643 1.00 53.43 C ATOM 1485 NZ LYS A 106 -4.146 11.555 11.998 1.00 44.22 N ATOM 0 H LYS A 106 1.724 8.803 8.396 1.00 61.43 H new ATOM 0 HA LYS A 106 0.045 10.729 7.091 1.00 43.00 H new ATOM 0 HB2 LYS A 106 -1.097 9.487 8.603 1.00 3.45 H new ATOM 0 HB3 LYS A 106 0.216 9.451 9.764 1.00 3.45 H new ATOM 0 HG2 LYS A 106 -0.347 11.520 10.690 1.00 33.34 H new ATOM 0 HG3 LYS A 106 -1.089 12.110 9.216 1.00 33.34 H new ATOM 0 HD2 LYS A 106 -3.122 11.003 9.623 1.00 54.30 H new ATOM 0 HD3 LYS A 106 -2.379 9.772 10.625 1.00 54.30 H new ATOM 0 HE2 LYS A 106 -2.115 11.291 12.480 1.00 53.43 H new ATOM 0 HE3 LYS A 106 -2.452 12.691 11.481 1.00 53.43 H new ATOM 0 HZ1 LYS A 106 -4.328 12.120 12.852 1.00 44.22 H new ATOM 0 HZ2 LYS A 106 -4.723 11.919 11.212 1.00 44.22 H new ATOM 0 HZ3 LYS A 106 -4.396 10.562 12.180 1.00 44.22 H new ATOM 1495 N GLY A 107 0.930 12.928 7.675 1.00 3.15 N ATOM 1496 CA GLY A 107 1.475 14.257 7.851 1.00 3.42 C ATOM 1497 C GLY A 107 1.314 14.743 9.283 1.00 10.15 C ATOM 1498 O GLY A 107 2.298 14.886 10.010 1.00 24.04 O ATOM 0 H GLY A 107 0.169 12.891 6.996 1.00 3.15 H new ATOM 0 HA2 GLY A 107 2.532 14.256 7.583 1.00 3.42 H new ATOM 0 HA3 GLY A 107 0.975 14.949 7.173 1.00 3.42 H new ATOM 1502 N SER A 108 0.070 15.029 9.678 1.00 5.41 N ATOM 1503 CA SER A 108 -0.254 15.633 10.961 1.00 73.21 C ATOM 1504 C SER A 108 -1.741 15.430 11.276 1.00 53.50 C ATOM 1505 O SER A 108 -2.498 14.871 10.472 1.00 52.54 O ATOM 1506 CB SER A 108 0.104 17.125 10.884 1.00 41.32 C ATOM 1507 OG SER A 108 0.191 17.696 12.169 1.00 50.54 O ATOM 0 H SER A 108 -0.750 14.842 9.101 1.00 5.41 H new ATOM 0 HA SER A 108 0.314 15.165 11.765 1.00 73.21 H new ATOM 0 HB2 SER A 108 1.054 17.247 10.364 1.00 41.32 H new ATOM 0 HB3 SER A 108 -0.649 17.653 10.299 1.00 41.32 H new ATOM 0 HG SER A 108 0.422 18.645 12.090 1.00 50.54 H new ATOM 1512 N LYS A 109 -2.169 15.894 12.451 1.00 4.21 N ATOM 1513 CA LYS A 109 -3.568 15.993 12.858 1.00 43.21 C ATOM 1514 C LYS A 109 -4.239 17.100 12.042 1.00 43.32 C ATOM 1515 O LYS A 109 -3.731 18.225 12.028 1.00 70.04 O ATOM 1516 CB LYS A 109 -3.605 16.294 14.370 1.00 62.00 C ATOM 1517 CG LYS A 109 -5.018 16.482 14.942 1.00 10.55 C ATOM 1518 CD LYS A 109 -5.011 16.853 16.436 1.00 12.22 C ATOM 1519 CE LYS A 109 -4.595 15.677 17.334 1.00 52.13 C ATOM 1520 NZ LYS A 109 -4.698 15.994 18.777 1.00 33.21 N ATOM 0 H LYS A 109 -1.525 16.223 13.171 1.00 4.21 H new ATOM 0 HA LYS A 109 -4.109 15.065 12.674 1.00 43.21 H new ATOM 0 HB2 LYS A 109 -3.115 15.479 14.903 1.00 62.00 H new ATOM 0 HB3 LYS A 109 -3.024 17.196 14.563 1.00 62.00 H new ATOM 0 HG2 LYS A 109 -5.532 17.263 14.381 1.00 10.55 H new ATOM 0 HG3 LYS A 109 -5.587 15.563 14.803 1.00 10.55 H new ATOM 0 HD2 LYS A 109 -4.328 17.687 16.596 1.00 12.22 H new ATOM 0 HD3 LYS A 109 -6.005 17.194 16.727 1.00 12.22 H new ATOM 0 HE2 LYS A 109 -5.223 14.815 17.110 1.00 52.13 H new ATOM 0 HE3 LYS A 109 -3.569 15.393 17.101 1.00 52.13 H new ATOM 0 HZ1 LYS A 109 -4.406 15.167 19.336 1.00 33.21 H new ATOM 0 HZ2 LYS A 109 -4.079 16.799 19.001 1.00 33.21 H new ATOM 0 HZ3 LYS A 109 -5.682 16.239 19.009 1.00 33.21 H new ATOM 1530 N ARG A 110 -5.371 16.807 11.396 1.00 54.52 N ATOM 1531 CA ARG A 110 -6.340 17.802 10.932 1.00 72.13 C ATOM 1532 C ARG A 110 -7.739 17.177 11.041 1.00 61.04 C ATOM 1533 O ARG A 110 -7.883 15.975 11.277 1.00 63.40 O ATOM 1534 CB ARG A 110 -5.976 18.298 9.510 1.00 62.41 C ATOM 1535 CG ARG A 110 -6.780 19.539 9.065 1.00 11.45 C ATOM 1536 CD ARG A 110 -6.335 20.123 7.721 1.00 41.11 C ATOM 1537 NE ARG A 110 -5.131 20.966 7.815 1.00 34.31 N ATOM 1538 CZ ARG A 110 -4.443 21.424 6.759 1.00 14.22 C ATOM 1539 NH1 ARG A 110 -4.817 21.117 5.519 1.00 64.23 N ATOM 1540 NH2 ARG A 110 -3.392 22.213 6.927 1.00 1.11 N ATOM 0 H ARG A 110 -5.645 15.849 11.176 1.00 54.52 H new ATOM 0 HA ARG A 110 -6.324 18.698 11.552 1.00 72.13 H new ATOM 0 HB2 ARG A 110 -4.912 18.533 9.477 1.00 62.41 H new ATOM 0 HB3 ARG A 110 -6.146 17.491 8.798 1.00 62.41 H new ATOM 0 HG2 ARG A 110 -7.835 19.272 9.001 1.00 11.45 H new ATOM 0 HG3 ARG A 110 -6.692 20.310 9.831 1.00 11.45 H new ATOM 0 HD2 ARG A 110 -6.143 19.306 7.025 1.00 41.11 H new ATOM 0 HD3 ARG A 110 -7.150 20.713 7.303 1.00 41.11 H new ATOM 0 HE ARG A 110 -4.798 21.218 8.746 1.00 34.31 H new ATOM 0 HH11 ARG A 110 -5.635 20.527 5.364 1.00 64.23 H new ATOM 0 HH12 ARG A 110 -4.286 21.471 4.724 1.00 64.23 H new ATOM 0 HH21 ARG A 110 -3.098 22.478 7.867 1.00 1.11 H new ATOM 0 HH22 ARG A 110 -2.876 22.555 6.116 1.00 1.11 H new ATOM 1551 N ASP A 111 -8.770 17.999 10.880 1.00 44.21 N ATOM 1552 CA ASP A 111 -10.177 17.761 11.179 1.00 42.52 C ATOM 1553 C ASP A 111 -11.024 18.063 9.938 1.00 65.32 C ATOM 1554 O ASP A 111 -11.599 19.144 9.792 1.00 65.12 O ATOM 1555 CB ASP A 111 -10.607 18.606 12.399 1.00 41.42 C ATOM 1556 CG ASP A 111 -10.239 20.092 12.285 1.00 43.33 C ATOM 1557 OD1 ASP A 111 -9.027 20.409 12.293 1.00 63.44 O ATOM 1558 OD2 ASP A 111 -11.130 20.974 12.261 1.00 5.21 O ATOM 0 H ASP A 111 -8.628 18.936 10.502 1.00 44.21 H new ATOM 0 HA ASP A 111 -10.332 16.714 11.439 1.00 42.52 H new ATOM 0 HB2 ASP A 111 -11.686 18.517 12.528 1.00 41.42 H new ATOM 0 HB3 ASP A 111 -10.144 18.194 13.296 1.00 41.42 H new ATOM 1562 N MET A 112 -11.089 17.107 9.009 1.00 65.42 N ATOM 1563 CA MET A 112 -11.943 17.170 7.824 1.00 54.40 C ATOM 1564 C MET A 112 -12.380 15.756 7.433 1.00 33.11 C ATOM 1565 O MET A 112 -11.665 14.793 7.740 1.00 1.23 O ATOM 1566 CB MET A 112 -11.172 17.840 6.676 1.00 72.21 C ATOM 1567 CG MET A 112 -12.128 18.314 5.580 1.00 41.10 C ATOM 1568 SD MET A 112 -11.315 19.168 4.219 1.00 10.45 S ATOM 1569 CE MET A 112 -12.796 19.888 3.466 1.00 2.42 C ATOM 0 H MET A 112 -10.538 16.250 9.062 1.00 65.42 H new ATOM 0 HA MET A 112 -12.834 17.761 8.038 1.00 54.40 H new ATOM 0 HB2 MET A 112 -10.604 18.687 7.060 1.00 72.21 H new ATOM 0 HB3 MET A 112 -10.452 17.137 6.257 1.00 72.21 H new ATOM 0 HG2 MET A 112 -12.667 17.453 5.185 1.00 41.10 H new ATOM 0 HG3 MET A 112 -12.870 18.979 6.022 1.00 41.10 H new ATOM 0 HE1 MET A 112 -12.512 20.469 2.589 1.00 2.42 H new ATOM 0 HE2 MET A 112 -13.477 19.091 3.168 1.00 2.42 H new ATOM 0 HE3 MET A 112 -13.292 20.538 4.187 1.00 2.42 H new ATOM 1577 N ALA A 113 -13.511 15.650 6.734 1.00 51.42 N ATOM 1578 CA ALA A 113 -14.024 14.497 6.003 1.00 44.52 C ATOM 1579 C ALA A 113 -15.036 15.033 4.979 1.00 2.45 C ATOM 1580 O ALA A 113 -15.272 16.241 4.910 1.00 25.04 O ATOM 1581 CB ALA A 113 -14.712 13.523 6.969 1.00 51.22 C ATOM 0 H ALA A 113 -14.147 16.444 6.660 1.00 51.42 H new ATOM 0 HA ALA A 113 -13.217 13.958 5.507 1.00 44.52 H new ATOM 0 HB1 ALA A 113 -15.091 12.666 6.413 1.00 51.22 H new ATOM 0 HB2 ALA A 113 -13.994 13.182 7.715 1.00 51.22 H new ATOM 0 HB3 ALA A 113 -15.540 14.028 7.466 1.00 51.22 H new ATOM 1587 N SER A 114 -15.649 14.160 4.182 1.00 24.11 N ATOM 1588 CA SER A 114 -16.845 14.323 3.379 1.00 70.44 C ATOM 1589 C SER A 114 -17.252 12.915 2.913 1.00 34.01 C ATOM 1590 O SER A 114 -16.563 11.947 3.251 1.00 71.31 O ATOM 1591 CB SER A 114 -16.493 15.196 2.187 1.00 32.31 C ATOM 1592 OG SER A 114 -16.465 16.564 2.562 1.00 73.02 O ATOM 0 H SER A 114 -15.272 13.218 4.076 1.00 24.11 H new ATOM 0 HA SER A 114 -17.662 14.790 3.929 1.00 70.44 H new ATOM 0 HB2 SER A 114 -15.522 14.902 1.788 1.00 32.31 H new ATOM 0 HB3 SER A 114 -17.223 15.046 1.391 1.00 32.31 H new ATOM 0 HG SER A 114 -15.809 16.693 3.278 1.00 73.02 H new ATOM 1597 N ASN A 115 -18.315 12.758 2.114 1.00 72.00 N ATOM 1598 CA ASN A 115 -18.573 11.483 1.433 1.00 65.22 C ATOM 1599 C ASN A 115 -19.152 11.680 0.044 1.00 14.34 C ATOM 1600 O ASN A 115 -18.638 11.063 -0.894 1.00 33.25 O ATOM 1601 CB ASN A 115 -19.477 10.550 2.255 1.00 10.55 C ATOM 1602 CG ASN A 115 -18.657 9.720 3.227 1.00 43.41 C ATOM 1603 OD1 ASN A 115 -18.657 9.988 4.425 1.00 22.41 O ATOM 1604 ND2 ASN A 115 -17.905 8.743 2.748 1.00 1.23 N ATOM 0 H ASN A 115 -19.002 13.488 1.925 1.00 72.00 H new ATOM 0 HA ASN A 115 -17.600 11.003 1.331 1.00 65.22 H new ATOM 0 HB2 ASN A 115 -20.212 11.139 2.804 1.00 10.55 H new ATOM 0 HB3 ASN A 115 -20.031 9.892 1.586 1.00 10.55 H new ATOM 0 HD21 ASN A 115 -17.314 8.200 3.377 1.00 1.23 H new ATOM 0 HD22 ASN A 115 -17.917 8.533 1.750 1.00 1.23 H new ATOM 1610 N GLU A 116 -20.190 12.522 -0.073 1.00 1.31 N ATOM 1611 CA GLU A 116 -21.064 12.694 -1.244 1.00 74.34 C ATOM 1612 C GLU A 116 -21.491 11.332 -1.834 1.00 61.21 C ATOM 1613 O GLU A 116 -21.347 10.288 -1.188 1.00 1.41 O ATOM 1614 CB GLU A 116 -20.477 13.712 -2.260 1.00 5.42 C ATOM 1615 CG GLU A 116 -19.166 13.205 -2.868 1.00 13.55 C ATOM 1616 CD GLU A 116 -18.619 13.942 -4.084 1.00 12.42 C ATOM 1617 OE1 GLU A 116 -18.587 15.191 -4.084 1.00 33.22 O ATOM 1618 OE2 GLU A 116 -18.070 13.212 -4.948 1.00 30.22 O ATOM 0 H GLU A 116 -20.458 13.139 0.694 1.00 1.31 H new ATOM 0 HA GLU A 116 -21.998 13.155 -0.922 1.00 74.34 H new ATOM 0 HB2 GLU A 116 -21.201 13.894 -3.054 1.00 5.42 H new ATOM 0 HB3 GLU A 116 -20.303 14.666 -1.762 1.00 5.42 H new ATOM 0 HG2 GLU A 116 -18.403 13.230 -2.090 1.00 13.55 H new ATOM 0 HG3 GLU A 116 -19.306 12.160 -3.144 1.00 13.55 H new ATOM 1623 N GLY A 117 -22.064 11.314 -3.035 1.00 11.41 N ATOM 1624 CA GLY A 117 -22.612 10.104 -3.621 1.00 64.23 C ATOM 1625 C GLY A 117 -23.339 10.480 -4.889 1.00 65.24 C ATOM 1626 O GLY A 117 -24.506 10.879 -4.832 1.00 31.21 O ATOM 0 H GLY A 117 -22.159 12.140 -3.625 1.00 11.41 H new ATOM 0 HA2 GLY A 117 -21.815 9.392 -3.837 1.00 64.23 H new ATOM 0 HA3 GLY A 117 -23.293 9.618 -2.922 1.00 64.23 H new ATOM 1630 N SER A 118 -22.626 10.440 -6.008 1.00 74.22 N ATOM 1631 CA SER A 118 -23.088 10.992 -7.267 1.00 44.31 C ATOM 1632 C SER A 118 -22.317 10.309 -8.396 1.00 43.44 C ATOM 1633 O SER A 118 -21.083 10.372 -8.433 1.00 1.34 O ATOM 1634 CB SER A 118 -22.911 12.525 -7.236 1.00 12.25 C ATOM 1635 OG SER A 118 -21.811 12.952 -6.443 1.00 65.42 O ATOM 0 H SER A 118 -21.699 10.017 -6.063 1.00 74.22 H new ATOM 0 HA SER A 118 -24.148 10.805 -7.436 1.00 44.31 H new ATOM 0 HB2 SER A 118 -22.777 12.888 -8.255 1.00 12.25 H new ATOM 0 HB3 SER A 118 -23.824 12.981 -6.853 1.00 12.25 H new ATOM 0 HG SER A 118 -21.752 13.930 -6.465 1.00 65.42 H new ATOM 1640 N ARG A 119 -23.015 9.631 -9.311 1.00 65.23 N ATOM 1641 CA ARG A 119 -22.405 8.840 -10.380 1.00 13.32 C ATOM 1642 C ARG A 119 -23.220 9.037 -11.645 1.00 41.54 C ATOM 1643 O ARG A 119 -24.105 8.241 -11.949 1.00 51.44 O ATOM 1644 CB ARG A 119 -22.295 7.370 -9.939 1.00 64.12 C ATOM 1645 CG ARG A 119 -21.467 6.449 -10.853 1.00 34.12 C ATOM 1646 CD ARG A 119 -22.147 6.008 -12.160 1.00 62.44 C ATOM 1647 NE ARG A 119 -21.544 4.766 -12.670 1.00 41.30 N ATOM 1648 CZ ARG A 119 -21.797 4.159 -13.832 1.00 34.33 C ATOM 1649 NH1 ARG A 119 -22.539 4.721 -14.783 1.00 20.13 N ATOM 1650 NH2 ARG A 119 -21.307 2.948 -14.067 1.00 51.42 N ATOM 0 H ARG A 119 -24.035 9.617 -9.329 1.00 65.23 H new ATOM 0 HA ARG A 119 -21.388 9.169 -10.592 1.00 13.32 H new ATOM 0 HB2 ARG A 119 -21.860 7.343 -8.940 1.00 64.12 H new ATOM 0 HB3 ARG A 119 -23.302 6.959 -9.859 1.00 64.12 H new ATOM 0 HG2 ARG A 119 -20.538 6.960 -11.105 1.00 34.12 H new ATOM 0 HG3 ARG A 119 -21.197 5.557 -10.288 1.00 34.12 H new ATOM 0 HD2 ARG A 119 -23.212 5.856 -11.987 1.00 62.44 H new ATOM 0 HD3 ARG A 119 -22.054 6.796 -12.907 1.00 62.44 H new ATOM 0 HE ARG A 119 -20.854 4.318 -12.067 1.00 41.30 H new ATOM 0 HH11 ARG A 119 -22.938 5.649 -14.638 1.00 20.13 H new ATOM 0 HH12 ARG A 119 -22.709 4.224 -15.657 1.00 20.13 H new ATOM 0 HH21 ARG A 119 -20.738 2.482 -13.360 1.00 51.42 H new ATOM 0 HH22 ARG A 119 -21.500 2.483 -14.954 1.00 51.42 H new ATOM 1661 N ILE A 120 -22.893 10.079 -12.400 1.00 54.52 N ATOM 1662 CA ILE A 120 -23.421 10.304 -13.738 1.00 61.00 C ATOM 1663 C ILE A 120 -22.219 10.532 -14.649 1.00 53.52 C ATOM 1664 O ILE A 120 -21.215 11.132 -14.253 1.00 53.13 O ATOM 1665 CB ILE A 120 -24.430 11.482 -13.748 1.00 72.13 C ATOM 1666 CG1 ILE A 120 -25.656 11.237 -12.838 1.00 13.14 C ATOM 1667 CG2 ILE A 120 -24.909 11.855 -15.165 1.00 25.05 C ATOM 1668 CD1 ILE A 120 -26.637 10.150 -13.301 1.00 63.11 C ATOM 0 H ILE A 120 -22.243 10.803 -12.094 1.00 54.52 H new ATOM 0 HA ILE A 120 -23.990 9.446 -14.097 1.00 61.00 H new ATOM 0 HB ILE A 120 -23.866 12.323 -13.345 1.00 72.13 H new ATOM 0 HG12 ILE A 120 -25.297 10.973 -11.843 1.00 13.14 H new ATOM 0 HG13 ILE A 120 -26.204 12.174 -12.741 1.00 13.14 H new ATOM 0 HG21 ILE A 120 -25.613 12.685 -15.104 1.00 25.05 H new ATOM 0 HG22 ILE A 120 -24.053 12.148 -15.773 1.00 25.05 H new ATOM 0 HG23 ILE A 120 -25.400 10.996 -15.621 1.00 25.05 H new ATOM 0 HD11 ILE A 120 -27.454 10.069 -12.585 1.00 63.11 H new ATOM 0 HD12 ILE A 120 -27.037 10.414 -14.280 1.00 63.11 H new ATOM 0 HD13 ILE A 120 -26.117 9.195 -13.368 1.00 63.11 H new ATOM 1679 N SER A 121 -22.345 10.054 -15.877 1.00 22.24 N ATOM 1680 CA SER A 121 -21.557 10.317 -17.057 1.00 32.34 C ATOM 1681 C SER A 121 -22.498 10.118 -18.254 1.00 74.00 C ATOM 1682 O SER A 121 -23.506 9.414 -18.112 1.00 1.45 O ATOM 1683 CB SER A 121 -20.372 9.349 -17.067 1.00 0.43 C ATOM 1684 OG SER A 121 -20.728 8.007 -16.751 1.00 15.22 O ATOM 0 H SER A 121 -23.094 9.394 -16.088 1.00 22.24 H new ATOM 0 HA SER A 121 -21.146 11.326 -17.091 1.00 32.34 H new ATOM 0 HB2 SER A 121 -19.905 9.370 -18.052 1.00 0.43 H new ATOM 0 HB3 SER A 121 -19.625 9.695 -16.353 1.00 0.43 H new ATOM 0 HG SER A 121 -19.928 7.442 -16.776 1.00 15.22 H new ATOM 1689 N ALA A 122 -22.195 10.719 -19.408 1.00 43.33 N ATOM 1690 CA ALA A 122 -22.986 10.586 -20.628 1.00 33.35 C ATOM 1691 C ALA A 122 -22.064 10.531 -21.848 1.00 40.50 C ATOM 1692 O ALA A 122 -20.910 10.962 -21.769 1.00 11.25 O ATOM 1693 CB ALA A 122 -23.963 11.764 -20.737 1.00 74.32 C ATOM 0 H ALA A 122 -21.379 11.321 -19.519 1.00 43.33 H new ATOM 0 HA ALA A 122 -23.558 9.659 -20.591 1.00 33.35 H new ATOM 0 HB1 ALA A 122 -24.553 11.664 -21.648 1.00 74.32 H new ATOM 0 HB2 ALA A 122 -24.627 11.767 -19.873 1.00 74.32 H new ATOM 0 HB3 ALA A 122 -23.404 12.699 -20.768 1.00 74.32 H new ATOM 1699 N ALA A 123 -22.577 10.032 -22.975 1.00 41.20 N ATOM 1700 CA ALA A 123 -21.835 9.902 -24.222 1.00 71.01 C ATOM 1701 C ALA A 123 -22.742 10.281 -25.393 1.00 31.25 C ATOM 1702 O ALA A 123 -22.699 11.415 -25.855 1.00 53.32 O ATOM 1703 CB ALA A 123 -21.254 8.483 -24.342 1.00 32.12 C ATOM 0 H ALA A 123 -23.540 9.702 -23.043 1.00 41.20 H new ATOM 0 HA ALA A 123 -20.987 10.587 -24.236 1.00 71.01 H new ATOM 0 HB1 ALA A 123 -20.701 8.394 -25.277 1.00 32.12 H new ATOM 0 HB2 ALA A 123 -20.583 8.292 -23.504 1.00 32.12 H new ATOM 0 HB3 ALA A 123 -22.065 7.755 -24.330 1.00 32.12 H new ATOM 1709 N SER A 124 -23.582 9.357 -25.857 1.00 3.14 N ATOM 1710 CA SER A 124 -24.424 9.538 -27.031 1.00 3.43 C ATOM 1711 C SER A 124 -25.684 8.695 -26.872 1.00 72.23 C ATOM 1712 O SER A 124 -25.639 7.649 -26.225 1.00 13.15 O ATOM 1713 CB SER A 124 -23.629 9.118 -28.277 1.00 20.40 C ATOM 1714 OG SER A 124 -22.966 7.876 -28.089 1.00 53.11 O ATOM 0 H SER A 124 -23.696 8.444 -25.416 1.00 3.14 H new ATOM 0 HA SER A 124 -24.719 10.581 -27.140 1.00 3.43 H new ATOM 0 HB2 SER A 124 -24.304 9.044 -29.130 1.00 20.40 H new ATOM 0 HB3 SER A 124 -22.896 9.888 -28.516 1.00 20.40 H new ATOM 0 HG SER A 124 -22.473 7.642 -28.903 1.00 53.11 H new ATOM 1719 N VAL A 125 -26.781 9.114 -27.500 1.00 51.14 N ATOM 1720 CA VAL A 125 -28.055 8.415 -27.502 1.00 61.31 C ATOM 1721 C VAL A 125 -28.541 8.473 -28.949 1.00 54.51 C ATOM 1722 O VAL A 125 -28.729 9.564 -29.487 1.00 34.30 O ATOM 1723 CB VAL A 125 -29.030 9.080 -26.502 1.00 13.24 C ATOM 1724 CG1 VAL A 125 -30.395 8.372 -26.494 1.00 53.35 C ATOM 1725 CG2 VAL A 125 -28.481 9.073 -25.064 1.00 64.30 C ATOM 0 H VAL A 125 -26.803 9.980 -28.039 1.00 51.14 H new ATOM 0 HA VAL A 125 -27.977 7.378 -27.175 1.00 61.31 H new ATOM 0 HB VAL A 125 -29.144 10.110 -26.839 1.00 13.24 H new ATOM 0 HG11 VAL A 125 -31.056 8.864 -25.781 1.00 53.35 H new ATOM 0 HG12 VAL A 125 -30.836 8.420 -27.490 1.00 53.35 H new ATOM 0 HG13 VAL A 125 -30.262 7.329 -26.206 1.00 53.35 H new ATOM 0 HG21 VAL A 125 -29.200 9.550 -24.398 1.00 64.30 H new ATOM 0 HG22 VAL A 125 -28.316 8.045 -24.743 1.00 64.30 H new ATOM 0 HG23 VAL A 125 -27.538 9.619 -25.032 1.00 64.30 H new ATOM 1735 N ALA A 126 -28.680 7.317 -29.596 1.00 53.33 N ATOM 1736 CA ALA A 126 -29.244 7.170 -30.928 1.00 74.31 C ATOM 1737 C ALA A 126 -29.978 5.837 -30.952 1.00 74.11 C ATOM 1738 O ALA A 126 -29.505 4.861 -30.373 1.00 21.13 O ATOM 1739 CB ALA A 126 -28.134 7.209 -31.985 1.00 75.25 C ATOM 0 H ALA A 126 -28.391 6.428 -29.189 1.00 53.33 H new ATOM 0 HA ALA A 126 -29.929 7.986 -31.158 1.00 74.31 H new ATOM 0 HB1 ALA A 126 -28.572 7.098 -32.977 1.00 75.25 H new ATOM 0 HB2 ALA A 126 -27.608 8.162 -31.925 1.00 75.25 H new ATOM 0 HB3 ALA A 126 -27.432 6.395 -31.805 1.00 75.25 H new ATOM 1745 N SER A 127 -31.125 5.803 -31.620 1.00 64.12 N ATOM 1746 CA SER A 127 -31.977 4.627 -31.733 1.00 54.15 C ATOM 1747 C SER A 127 -32.634 4.627 -33.118 1.00 41.55 C ATOM 1748 O SER A 127 -33.830 4.378 -33.252 1.00 33.43 O ATOM 1749 CB SER A 127 -32.978 4.632 -30.568 1.00 41.25 C ATOM 1750 OG SER A 127 -33.712 5.845 -30.534 1.00 60.14 O ATOM 0 H SER A 127 -31.498 6.616 -32.111 1.00 64.12 H new ATOM 0 HA SER A 127 -31.410 3.699 -31.656 1.00 54.15 H new ATOM 0 HB2 SER A 127 -33.664 3.791 -30.669 1.00 41.25 H new ATOM 0 HB3 SER A 127 -32.446 4.498 -29.626 1.00 41.25 H new ATOM 0 HG SER A 127 -34.344 5.824 -29.785 1.00 60.14 H new ATOM 1755 N THR A 128 -31.873 5.000 -34.146 1.00 60.45 N ATOM 1756 CA THR A 128 -32.336 5.049 -35.526 1.00 32.00 C ATOM 1757 C THR A 128 -31.210 4.543 -36.439 1.00 14.41 C ATOM 1758 O THR A 128 -30.071 4.393 -35.990 1.00 3.10 O ATOM 1759 CB THR A 128 -32.831 6.479 -35.823 1.00 75.45 C ATOM 1760 OG1 THR A 128 -33.548 6.533 -37.035 1.00 23.20 O ATOM 1761 CG2 THR A 128 -31.706 7.523 -35.873 1.00 35.41 C ATOM 0 H THR A 128 -30.899 5.282 -34.037 1.00 60.45 H new ATOM 0 HA THR A 128 -33.186 4.393 -35.713 1.00 32.00 H new ATOM 0 HB THR A 128 -33.483 6.729 -34.986 1.00 75.45 H new ATOM 0 HG1 THR A 128 -33.850 7.451 -37.196 1.00 23.20 H new ATOM 0 HG21 THR A 128 -32.130 8.504 -36.086 1.00 35.41 H new ATOM 0 HG22 THR A 128 -31.192 7.551 -34.912 1.00 35.41 H new ATOM 0 HG23 THR A 128 -30.996 7.256 -36.656 1.00 35.41 H new ATOM 1769 N ALA A 129 -31.539 4.262 -37.699 1.00 63.44 N ATOM 1770 CA ALA A 129 -30.651 3.773 -38.744 1.00 2.31 C ATOM 1771 C ALA A 129 -31.236 4.208 -40.092 1.00 15.20 C ATOM 1772 O ALA A 129 -32.330 4.775 -40.138 1.00 14.22 O ATOM 1773 CB ALA A 129 -30.552 2.242 -38.661 1.00 52.31 C ATOM 0 H ALA A 129 -32.495 4.378 -38.035 1.00 63.44 H new ATOM 0 HA ALA A 129 -29.647 4.181 -38.627 1.00 2.31 H new ATOM 0 HB1 ALA A 129 -29.887 1.877 -39.444 1.00 52.31 H new ATOM 0 HB2 ALA A 129 -30.157 1.955 -37.686 1.00 52.31 H new ATOM 0 HB3 ALA A 129 -31.542 1.806 -38.794 1.00 52.31 H new ATOM 1779 N ILE A 130 -30.517 3.933 -41.180 1.00 52.51 N ATOM 1780 CA ILE A 130 -31.087 3.928 -42.524 1.00 64.14 C ATOM 1781 C ILE A 130 -31.803 2.583 -42.732 1.00 11.44 C ATOM 1782 O ILE A 130 -31.498 1.611 -42.033 1.00 51.32 O ATOM 1783 CB ILE A 130 -29.965 4.219 -43.555 1.00 34.14 C ATOM 1784 CG1 ILE A 130 -30.537 4.422 -44.975 1.00 35.33 C ATOM 1785 CG2 ILE A 130 -28.851 3.150 -43.546 1.00 3.32 C ATOM 1786 CD1 ILE A 130 -29.575 5.143 -45.929 1.00 74.42 C ATOM 0 H ILE A 130 -29.523 3.708 -41.153 1.00 52.51 H new ATOM 0 HA ILE A 130 -31.831 4.713 -42.663 1.00 64.14 H new ATOM 0 HB ILE A 130 -29.500 5.154 -43.244 1.00 34.14 H new ATOM 0 HG12 ILE A 130 -30.793 3.450 -45.397 1.00 35.33 H new ATOM 0 HG13 ILE A 130 -31.463 4.993 -44.906 1.00 35.33 H new ATOM 0 HG21 ILE A 130 -28.094 3.407 -44.287 1.00 3.32 H new ATOM 0 HG22 ILE A 130 -28.392 3.111 -42.558 1.00 3.32 H new ATOM 0 HG23 ILE A 130 -29.279 2.177 -43.786 1.00 3.32 H new ATOM 0 HD11 ILE A 130 -30.044 5.250 -46.907 1.00 74.42 H new ATOM 0 HD12 ILE A 130 -29.338 6.129 -45.530 1.00 74.42 H new ATOM 0 HD13 ILE A 130 -28.658 4.562 -46.028 1.00 74.42 H new ATOM 1797 N ALA A 131 -32.715 2.531 -43.698 1.00 0.44 N ATOM 1798 CA ALA A 131 -33.301 1.348 -44.299 1.00 2.24 C ATOM 1799 C ALA A 131 -33.475 1.678 -45.779 1.00 4.22 C ATOM 1800 O ALA A 131 -33.474 2.890 -46.094 1.00 22.12 O ATOM 1801 CB ALA A 131 -34.646 1.018 -43.644 1.00 71.12 C ATOM 0 H ALA A 131 -33.090 3.385 -44.110 1.00 0.44 H new ATOM 0 HA ALA A 131 -32.669 0.471 -44.162 1.00 2.24 H new ATOM 0 HB1 ALA A 131 -35.069 0.128 -44.109 1.00 71.12 H new ATOM 0 HB2 ALA A 131 -34.497 0.835 -42.580 1.00 71.12 H new ATOM 0 HB3 ALA A 131 -35.330 1.856 -43.776 1.00 71.12 H new TER 1807 ALA A 131