USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 96 ASN : amide:sc= 0.144 K(o=0.28,f=1) USER MOD Set 1.2: A 115 SER OG : rot 180:sc= 0.14 USER MOD Set 2.1: A 59 THR OG1 : rot -107:sc= -0.834 USER MOD Set 2.2: A 74 MET CE :methyl 173:sc= -1.12 (180deg=-1.21) USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.15 K(o=1.9,f=-3.5!) USER MOD Set 3.2: A 58 THR OG1 : rot 18:sc= 0.724 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0.747 USER MOD Set 4.2: A 51 GLN : amide:sc= -2.49! C(o=-1.7!,f=-7.9!) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 5 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.19) USER MOD Single : A 6 TYR OH : rot -158:sc= 0.226 USER MOD Single : A 10 SER OG : rot 3:sc= 0.461 USER MOD Single : A 13 ASN : amide:sc= 0.661 K(o=0.66,f=-1.8!) USER MOD Single : A 14 TYR OH : rot -134:sc= 1.22 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 145:sc= -0.632 (180deg=-0.778) USER MOD Single : A 33 ASN : amide:sc= 0.0319 K(o=0.032,f=-0.52) USER MOD Single : A 34 CYS SG : rot 175:sc= 0.822 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 43 ASN : amide:sc= 0.087 K(o=0.087,f=-2) USER MOD Single : A 45 ASN : amide:sc= -0.686 K(o=-0.69,f=-0.032) USER MOD Single : A 48 THR OG1 : rot 136:sc= -0.511 USER MOD Single : A 50 THR OG1 : rot 76:sc= 0.862 USER MOD Single : A 60 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 61 ASN : amide:sc= 0.668 K(o=0.67,f=-7.6!) USER MOD Single : A 62 SER OG : rot 31:sc= 0.324 USER MOD Single : A 64 THR OG1 : rot 9:sc= 0.75 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -162:sc= -1.29 (180deg=-1.96) USER MOD Single : A 73 THR OG1 : rot 150:sc= -0.289 USER MOD Single : A 78 LYS NZ :NH3+ -146:sc= 1.32 (180deg=-0.0205) USER MOD Single : A 80 LYS NZ :NH3+ 144:sc= 2.09 (180deg=-0.329!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.13 (180deg=0.981) USER MOD Single : A 85 MET CE :methyl -177:sc= -1.05 (180deg=-1.17) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= 1.15 (180deg=1.01) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 HIS : no HD1:sc= -0.0712 X(o=-0.071,f=-0.31) USER MOD Single : A 99 HIS : no HD1:sc= 0.639 K(o=0.64,f=-3.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -167:sc= 1.15 (180deg=0.847) USER MOD Single : A 112 SER OG : rot -80:sc= 0.189 USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 114 SER OG : rot 139:sc= 0.61 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 159:sc= 1.34 (180deg=0.784) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 172:sc= 1.31 (180deg=1.18) USER MOD Single : A 125 LYS NZ :NH3+ -146:sc= 1.07 (180deg=-0.129) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.256 -6.304 -2.588 1.00 0.35 N ATOM 12 CA PHE A 2 -10.882 -6.197 -2.101 1.00 0.27 C ATOM 13 C PHE A 2 -10.658 -7.017 -0.836 1.00 0.23 C ATOM 14 O PHE A 2 -9.533 -7.115 -0.358 1.00 0.25 O ATOM 15 CB PHE A 2 -10.516 -4.736 -1.835 1.00 0.33 C ATOM 16 CG PHE A 2 -10.396 -3.911 -3.081 1.00 0.31 C ATOM 17 CD1 PHE A 2 -11.500 -3.253 -3.600 1.00 1.24 C ATOM 18 CD2 PHE A 2 -9.182 -3.796 -3.736 1.00 1.22 C ATOM 19 CE1 PHE A 2 -11.394 -2.496 -4.750 1.00 1.24 C ATOM 20 CE2 PHE A 2 -9.073 -3.041 -4.887 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.180 -2.390 -5.394 1.00 0.36 C ATOM 0 HA PHE A 2 -10.237 -6.598 -2.883 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -11.272 -4.293 -1.187 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -9.571 -4.700 -1.293 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -12.454 -3.333 -3.099 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -8.312 -4.301 -3.343 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -12.261 -1.988 -5.144 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -8.121 -2.960 -5.391 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.095 -1.799 -6.294 1.00 0.36 H new ATOM 31 N THR A 3 -11.717 -7.605 -0.305 1.00 0.20 N ATOM 32 CA THR A 3 -11.625 -8.402 0.908 1.00 0.19 C ATOM 33 C THR A 3 -10.682 -9.584 0.760 1.00 0.19 C ATOM 34 O THR A 3 -10.605 -10.205 -0.306 1.00 0.26 O ATOM 35 CB THR A 3 -12.998 -8.952 1.298 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.019 -8.056 0.847 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.075 -9.141 2.804 1.00 0.26 C ATOM 0 H THR A 3 -12.656 -7.545 -0.698 1.00 0.20 H new ATOM 0 HA THR A 3 -11.239 -7.732 1.676 1.00 0.19 H new ATOM 0 HB THR A 3 -13.148 -9.922 0.824 1.00 0.21 H new ATOM 0 HG1 THR A 3 -14.898 -8.410 1.096 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.056 -9.533 3.072 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.305 -9.843 3.122 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.920 -8.183 3.299 1.00 0.26 H new ATOM 45 N GLY A 4 -9.975 -9.898 1.832 1.00 0.19 N ATOM 46 CA GLY A 4 -9.080 -11.022 1.808 1.00 0.21 C ATOM 47 C GLY A 4 -7.661 -10.664 2.179 1.00 0.19 C ATOM 48 O GLY A 4 -7.340 -9.496 2.400 1.00 0.21 O ATOM 0 H GLY A 4 -10.008 -9.392 2.717 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.447 -11.784 2.496 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.087 -11.462 0.811 1.00 0.21 H new ATOM 52 N LYS A 5 -6.820 -11.681 2.281 1.00 0.20 N ATOM 53 CA LYS A 5 -5.413 -11.483 2.596 1.00 0.20 C ATOM 54 C LYS A 5 -4.613 -11.481 1.299 1.00 0.18 C ATOM 55 O LYS A 5 -4.958 -12.188 0.347 1.00 0.19 O ATOM 56 CB LYS A 5 -4.899 -12.570 3.560 1.00 0.23 C ATOM 57 CG LYS A 5 -4.018 -13.621 2.897 1.00 0.28 C ATOM 58 CD LYS A 5 -3.706 -14.788 3.824 1.00 0.31 C ATOM 59 CE LYS A 5 -2.464 -14.526 4.666 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.489 -15.651 4.592 1.00 1.54 N ATOM 0 H LYS A 5 -7.088 -12.656 2.150 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.289 -10.525 3.100 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.336 -12.093 4.362 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -5.753 -13.066 4.021 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.515 -13.995 2.002 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.086 -13.158 2.574 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -4.558 -14.969 4.480 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.560 -15.692 3.233 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -1.984 -13.608 4.327 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -2.757 -14.368 5.704 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -0.675 -15.446 5.206 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -1.948 -16.529 4.907 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.163 -15.764 3.611 1.00 1.54 H new ATOM 74 N TYR A 6 -3.561 -10.686 1.248 1.00 0.19 N ATOM 75 CA TYR A 6 -2.738 -10.607 0.056 1.00 0.19 C ATOM 76 C TYR A 6 -1.279 -10.760 0.420 1.00 0.19 C ATOM 77 O TYR A 6 -0.833 -10.241 1.442 1.00 0.23 O ATOM 78 CB TYR A 6 -2.947 -9.277 -0.671 1.00 0.22 C ATOM 79 CG TYR A 6 -4.365 -9.046 -1.132 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.782 -9.473 -2.383 1.00 1.25 C ATOM 81 CD2 TYR A 6 -5.284 -8.403 -0.318 1.00 1.14 C ATOM 82 CE1 TYR A 6 -6.078 -9.265 -2.811 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.580 -8.191 -0.737 1.00 1.13 C ATOM 84 CZ TYR A 6 -6.973 -8.624 -1.984 1.00 0.35 C ATOM 85 OH TYR A 6 -8.262 -8.416 -2.402 1.00 0.44 O ATOM 0 H TYR A 6 -3.257 -10.087 2.016 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.035 -11.417 -0.611 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.654 -8.463 -0.008 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.284 -9.239 -1.535 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.082 -9.976 -3.033 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -4.980 -8.062 0.661 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -6.388 -9.603 -3.789 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -7.284 -7.688 -0.091 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.656 -7.677 -1.893 1.00 0.44 H new ATOM 95 N GLU A 7 -0.547 -11.475 -0.410 1.00 0.19 N ATOM 96 CA GLU A 7 0.869 -11.690 -0.181 1.00 0.21 C ATOM 97 C GLU A 7 1.663 -11.292 -1.414 1.00 0.19 C ATOM 98 O GLU A 7 1.177 -11.421 -2.543 1.00 0.22 O ATOM 99 CB GLU A 7 1.135 -13.148 0.200 1.00 0.26 C ATOM 100 CG GLU A 7 0.823 -13.446 1.660 1.00 0.33 C ATOM 101 CD GLU A 7 0.967 -14.912 2.007 1.00 0.59 C ATOM 102 OE1 GLU A 7 2.104 -15.432 1.952 1.00 1.41 O ATOM 103 OE2 GLU A 7 -0.053 -15.549 2.336 1.00 1.20 O ATOM 0 H GLU A 7 -0.911 -11.919 -1.253 1.00 0.19 H new ATOM 0 HA GLU A 7 1.192 -11.064 0.650 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.534 -13.799 -0.435 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.180 -13.385 0.001 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.488 -12.861 2.295 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.194 -13.124 1.882 1.00 0.33 H new ATOM 110 N PHE A 8 2.867 -10.786 -1.176 1.00 0.23 N ATOM 111 CA PHE A 8 3.763 -10.338 -2.236 1.00 0.25 C ATOM 112 C PHE A 8 3.917 -11.383 -3.342 1.00 0.24 C ATOM 113 O PHE A 8 4.348 -12.515 -3.098 1.00 0.33 O ATOM 114 CB PHE A 8 5.133 -9.989 -1.643 1.00 0.33 C ATOM 115 CG PHE A 8 6.218 -9.825 -2.674 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.150 -8.813 -3.622 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.304 -10.684 -2.693 1.00 1.55 C ATOM 118 CE1 PHE A 8 7.147 -8.665 -4.568 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.302 -10.539 -3.637 1.00 1.86 C ATOM 120 CZ PHE A 8 8.224 -9.528 -4.574 1.00 1.49 C ATOM 0 H PHE A 8 3.251 -10.674 -0.238 1.00 0.23 H new ATOM 0 HA PHE A 8 3.321 -9.451 -2.690 1.00 0.25 H new ATOM 0 HB2 PHE A 8 5.046 -9.065 -1.071 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.425 -10.772 -0.943 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.310 -8.135 -3.620 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.371 -11.476 -1.962 1.00 1.55 H new ATOM 0 HE1 PHE A 8 7.083 -7.875 -5.302 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.143 -11.216 -3.642 1.00 1.86 H new ATOM 0 HZ PHE A 8 9.005 -9.413 -5.311 1.00 1.49 H new ATOM 130 N GLU A 9 3.552 -10.996 -4.559 1.00 0.25 N ATOM 131 CA GLU A 9 3.656 -11.877 -5.710 1.00 0.26 C ATOM 132 C GLU A 9 4.649 -11.309 -6.717 1.00 0.28 C ATOM 133 O GLU A 9 5.556 -12.006 -7.169 1.00 0.34 O ATOM 134 CB GLU A 9 2.291 -12.062 -6.369 1.00 0.27 C ATOM 135 CG GLU A 9 2.294 -13.076 -7.497 1.00 0.35 C ATOM 136 CD GLU A 9 1.729 -14.419 -7.080 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.377 -15.120 -6.273 1.00 1.19 O ATOM 138 OE2 GLU A 9 0.638 -14.784 -7.570 1.00 1.46 O ATOM 0 H GLU A 9 3.179 -10.071 -4.772 1.00 0.25 H new ATOM 0 HA GLU A 9 4.012 -12.849 -5.370 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.571 -12.374 -5.613 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.950 -11.102 -6.756 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.712 -12.686 -8.332 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.315 -13.212 -7.855 1.00 0.35 H new ATOM 145 N SER A 10 4.472 -10.041 -7.070 1.00 0.26 N ATOM 146 CA SER A 10 5.349 -9.378 -8.023 1.00 0.29 C ATOM 147 C SER A 10 5.352 -7.868 -7.790 1.00 0.27 C ATOM 148 O SER A 10 4.491 -7.344 -7.080 1.00 0.32 O ATOM 149 CB SER A 10 4.896 -9.693 -9.451 1.00 0.34 C ATOM 150 OG SER A 10 5.065 -11.070 -9.754 1.00 1.01 O ATOM 0 H SER A 10 3.724 -9.450 -6.707 1.00 0.26 H new ATOM 0 HA SER A 10 6.364 -9.748 -7.881 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.848 -9.418 -9.571 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.467 -9.090 -10.157 1.00 0.34 H new ATOM 0 HG SER A 10 5.393 -11.542 -8.960 1.00 1.01 H new ATOM 156 N ASP A 11 6.314 -7.173 -8.381 1.00 0.28 N ATOM 157 CA ASP A 11 6.419 -5.725 -8.239 1.00 0.28 C ATOM 158 C ASP A 11 7.238 -5.151 -9.388 1.00 0.28 C ATOM 159 O ASP A 11 7.849 -5.901 -10.152 1.00 0.34 O ATOM 160 CB ASP A 11 7.050 -5.342 -6.892 1.00 0.32 C ATOM 161 CG ASP A 11 8.555 -5.515 -6.879 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.027 -6.642 -6.612 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.272 -4.529 -7.146 1.00 1.72 O ATOM 0 H ASP A 11 7.037 -7.590 -8.967 1.00 0.28 H new ATOM 0 HA ASP A 11 5.414 -5.305 -8.268 1.00 0.28 H new ATOM 0 HB2 ASP A 11 6.806 -4.305 -6.663 1.00 0.32 H new ATOM 0 HB3 ASP A 11 6.612 -5.954 -6.103 1.00 0.32 H new ATOM 168 N GLU A 12 7.233 -3.837 -9.516 1.00 0.26 N ATOM 169 CA GLU A 12 7.969 -3.169 -10.576 1.00 0.27 C ATOM 170 C GLU A 12 8.372 -1.762 -10.153 1.00 0.25 C ATOM 171 O GLU A 12 7.599 -1.054 -9.502 1.00 0.26 O ATOM 172 CB GLU A 12 7.118 -3.110 -11.847 1.00 0.32 C ATOM 173 CG GLU A 12 7.595 -2.087 -12.870 1.00 0.38 C ATOM 174 CD GLU A 12 6.664 -1.965 -14.060 1.00 0.57 C ATOM 175 OE1 GLU A 12 5.529 -2.479 -13.992 1.00 1.00 O ATOM 176 OE2 GLU A 12 7.069 -1.363 -15.074 1.00 1.44 O ATOM 0 H GLU A 12 6.724 -3.207 -8.896 1.00 0.26 H new ATOM 0 HA GLU A 12 8.876 -3.740 -10.777 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.110 -4.096 -12.312 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.089 -2.879 -11.572 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.689 -1.114 -12.387 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.589 -2.366 -13.220 1.00 0.38 H new ATOM 183 N ASN A 13 9.586 -1.380 -10.544 1.00 0.25 N ATOM 184 CA ASN A 13 10.156 -0.059 -10.244 1.00 0.25 C ATOM 185 C ASN A 13 10.303 0.189 -8.744 1.00 0.23 C ATOM 186 O ASN A 13 10.248 1.335 -8.300 1.00 0.30 O ATOM 187 CB ASN A 13 9.304 1.056 -10.861 1.00 0.29 C ATOM 188 CG ASN A 13 9.628 1.305 -12.320 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.716 0.980 -12.791 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.684 1.883 -13.041 1.00 0.84 N ATOM 0 H ASN A 13 10.211 -1.980 -11.083 1.00 0.25 H new ATOM 0 HA ASN A 13 11.153 -0.048 -10.685 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.250 0.795 -10.767 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.456 1.977 -10.298 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.844 2.076 -14.030 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.795 2.136 -12.609 1.00 0.84 H new ATOM 197 N TYR A 14 10.522 -0.867 -7.971 1.00 0.23 N ATOM 198 CA TYR A 14 10.669 -0.735 -6.526 1.00 0.25 C ATOM 199 C TYR A 14 11.862 0.145 -6.175 1.00 0.23 C ATOM 200 O TYR A 14 11.708 1.173 -5.518 1.00 0.22 O ATOM 201 CB TYR A 14 10.839 -2.111 -5.873 1.00 0.32 C ATOM 202 CG TYR A 14 10.917 -2.055 -4.363 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.133 -1.873 -3.717 1.00 1.28 C ATOM 204 CD2 TYR A 14 9.773 -2.169 -3.582 1.00 1.30 C ATOM 205 CE1 TYR A 14 12.206 -1.798 -2.342 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.839 -2.098 -2.206 1.00 1.36 C ATOM 207 CZ TYR A 14 11.057 -1.911 -1.593 1.00 0.78 C ATOM 208 OH TYR A 14 11.124 -1.830 -0.225 1.00 0.98 O ATOM 0 H TYR A 14 10.602 -1.823 -8.319 1.00 0.23 H new ATOM 0 HA TYR A 14 9.762 -0.266 -6.144 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.003 -2.748 -6.163 1.00 0.32 H new ATOM 0 HB3 TYR A 14 11.745 -2.579 -6.259 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.037 -1.789 -4.302 1.00 1.28 H new ATOM 0 HD2 TYR A 14 8.816 -2.316 -4.061 1.00 1.30 H new ATOM 0 HE1 TYR A 14 13.159 -1.651 -1.856 1.00 1.39 H new ATOM 0 HE2 TYR A 14 8.941 -2.189 -1.613 1.00 1.36 H new ATOM 0 HH TYR A 14 10.595 -2.553 0.172 1.00 0.98 H new ATOM 218 N ASP A 15 13.041 -0.266 -6.631 1.00 0.25 N ATOM 219 CA ASP A 15 14.287 0.448 -6.360 1.00 0.26 C ATOM 220 C ASP A 15 14.211 1.899 -6.817 1.00 0.25 C ATOM 221 O ASP A 15 14.648 2.802 -6.108 1.00 0.26 O ATOM 222 CB ASP A 15 15.463 -0.247 -7.051 1.00 0.33 C ATOM 223 CG ASP A 15 15.330 -1.759 -7.059 1.00 0.50 C ATOM 224 OD1 ASP A 15 14.537 -2.279 -7.873 1.00 1.30 O ATOM 225 OD2 ASP A 15 16.005 -2.432 -6.247 1.00 1.18 O ATOM 0 H ASP A 15 13.161 -1.104 -7.200 1.00 0.25 H new ATOM 0 HA ASP A 15 14.442 0.436 -5.281 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.539 0.112 -8.077 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.389 0.029 -6.547 1.00 0.33 H new ATOM 230 N ASP A 16 13.643 2.122 -7.992 1.00 0.25 N ATOM 231 CA ASP A 16 13.523 3.473 -8.536 1.00 0.26 C ATOM 232 C ASP A 16 12.609 4.320 -7.670 1.00 0.25 C ATOM 233 O ASP A 16 12.911 5.470 -7.364 1.00 0.29 O ATOM 234 CB ASP A 16 12.978 3.431 -9.959 1.00 0.29 C ATOM 235 CG ASP A 16 13.929 4.057 -10.959 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.780 3.326 -11.503 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.838 5.284 -11.200 1.00 1.20 O ATOM 0 H ASP A 16 13.258 1.390 -8.589 1.00 0.25 H new ATOM 0 HA ASP A 16 14.517 3.919 -8.547 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.787 2.396 -10.242 1.00 0.29 H new ATOM 0 HB3 ASP A 16 12.022 3.953 -9.995 1.00 0.29 H new ATOM 242 N PHE A 17 11.497 3.728 -7.269 1.00 0.21 N ATOM 243 CA PHE A 17 10.509 4.403 -6.441 1.00 0.21 C ATOM 244 C PHE A 17 11.088 4.778 -5.084 1.00 0.20 C ATOM 245 O PHE A 17 11.059 5.941 -4.685 1.00 0.23 O ATOM 246 CB PHE A 17 9.301 3.490 -6.246 1.00 0.21 C ATOM 247 CG PHE A 17 8.190 4.097 -5.436 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.307 5.004 -6.007 1.00 1.17 C ATOM 249 CD2 PHE A 17 8.020 3.752 -4.103 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.281 5.550 -5.262 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.996 4.297 -3.356 1.00 1.24 C ATOM 252 CZ PHE A 17 6.125 5.196 -3.937 1.00 0.38 C ATOM 0 H PHE A 17 11.253 2.767 -7.507 1.00 0.21 H new ATOM 0 HA PHE A 17 10.208 5.320 -6.947 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.910 3.210 -7.224 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.629 2.572 -5.759 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.424 5.285 -7.043 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.698 3.048 -3.644 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.600 6.255 -5.716 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.876 4.021 -2.319 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.321 5.623 -3.355 1.00 0.38 H new ATOM 262 N VAL A 18 11.612 3.785 -4.382 1.00 0.19 N ATOM 263 CA VAL A 18 12.175 4.000 -3.059 1.00 0.21 C ATOM 264 C VAL A 18 13.326 5.007 -3.083 1.00 0.23 C ATOM 265 O VAL A 18 13.464 5.822 -2.171 1.00 0.26 O ATOM 266 CB VAL A 18 12.637 2.672 -2.429 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.443 1.759 -2.213 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.678 1.985 -3.295 1.00 0.23 C ATOM 0 H VAL A 18 11.659 2.820 -4.708 1.00 0.19 H new ATOM 0 HA VAL A 18 11.381 4.420 -2.442 1.00 0.21 H new ATOM 0 HB VAL A 18 13.098 2.893 -1.466 1.00 0.23 H new ATOM 0 HG11 VAL A 18 11.777 0.822 -1.767 1.00 0.25 H new ATOM 0 HG12 VAL A 18 10.730 2.244 -1.546 1.00 0.25 H new ATOM 0 HG13 VAL A 18 10.963 1.555 -3.170 1.00 0.25 H new ATOM 0 HG21 VAL A 18 13.984 1.051 -2.824 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.253 1.774 -4.276 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.545 2.636 -3.407 1.00 0.23 H new ATOM 278 N LYS A 19 14.132 4.970 -4.135 1.00 0.24 N ATOM 279 CA LYS A 19 15.254 5.890 -4.263 1.00 0.29 C ATOM 280 C LYS A 19 14.769 7.293 -4.621 1.00 0.30 C ATOM 281 O LYS A 19 15.406 8.289 -4.266 1.00 0.34 O ATOM 282 CB LYS A 19 16.230 5.382 -5.322 1.00 0.33 C ATOM 283 CG LYS A 19 17.169 4.306 -4.805 1.00 0.41 C ATOM 284 CD LYS A 19 18.407 4.918 -4.179 1.00 0.54 C ATOM 285 CE LYS A 19 18.945 4.058 -3.057 1.00 0.87 C ATOM 286 NZ LYS A 19 20.234 4.577 -2.537 1.00 1.18 N ATOM 0 H LYS A 19 14.031 4.315 -4.910 1.00 0.24 H new ATOM 0 HA LYS A 19 15.767 5.942 -3.303 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.666 4.987 -6.167 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.819 6.220 -5.696 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.652 3.690 -4.069 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.459 3.648 -5.624 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.176 5.046 -4.941 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.169 5.910 -3.796 1.00 0.54 H new ATOM 0 HE2 LYS A 19 18.216 4.018 -2.248 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.081 3.037 -3.414 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.572 3.962 -1.769 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.937 4.592 -3.303 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 20.098 5.542 -2.173 1.00 1.18 H new ATOM 300 N LYS A 20 13.637 7.368 -5.315 1.00 0.29 N ATOM 301 CA LYS A 20 13.065 8.647 -5.726 1.00 0.32 C ATOM 302 C LYS A 20 12.362 9.337 -4.565 1.00 0.31 C ATOM 303 O LYS A 20 12.482 10.548 -4.392 1.00 0.36 O ATOM 304 CB LYS A 20 12.074 8.440 -6.875 1.00 0.35 C ATOM 305 CG LYS A 20 11.625 9.729 -7.544 1.00 0.58 C ATOM 306 CD LYS A 20 12.676 10.250 -8.509 1.00 0.73 C ATOM 307 CE LYS A 20 12.065 11.195 -9.523 1.00 0.71 C ATOM 308 NZ LYS A 20 13.024 11.542 -10.600 1.00 0.88 N ATOM 0 H LYS A 20 13.095 6.554 -5.606 1.00 0.29 H new ATOM 0 HA LYS A 20 13.884 9.284 -6.061 1.00 0.32 H new ATOM 0 HB2 LYS A 20 12.532 7.794 -7.624 1.00 0.35 H new ATOM 0 HB3 LYS A 20 11.197 7.915 -6.495 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.691 9.556 -8.079 1.00 0.58 H new ATOM 0 HG3 LYS A 20 11.422 10.483 -6.784 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.460 10.765 -7.954 1.00 0.73 H new ATOM 0 HD3 LYS A 20 13.147 9.413 -9.025 1.00 0.73 H new ATOM 0 HE2 LYS A 20 11.178 10.736 -9.960 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.738 12.105 -9.021 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.569 12.190 -11.274 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.859 12.003 -10.186 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.317 10.676 -11.096 1.00 0.88 H new ATOM 322 N ILE A 21 11.631 8.565 -3.769 1.00 0.28 N ATOM 323 CA ILE A 21 10.900 9.119 -2.635 1.00 0.30 C ATOM 324 C ILE A 21 11.832 9.448 -1.475 1.00 0.32 C ATOM 325 O ILE A 21 11.447 10.146 -0.540 1.00 0.39 O ATOM 326 CB ILE A 21 9.789 8.164 -2.146 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.391 6.863 -1.607 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.809 7.871 -3.275 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.422 6.030 -0.793 1.00 0.30 C ATOM 0 H ILE A 21 11.529 7.557 -3.887 1.00 0.28 H new ATOM 0 HA ILE A 21 10.437 10.040 -2.989 1.00 0.30 H new ATOM 0 HB ILE A 21 9.249 8.651 -1.334 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.753 6.267 -2.445 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.257 7.103 -0.989 1.00 0.24 H new ATOM 0 HG21 ILE A 21 8.031 7.197 -2.916 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.354 8.802 -3.613 1.00 0.31 H new ATOM 0 HG23 ILE A 21 9.339 7.404 -4.105 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.922 5.125 -0.446 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.079 6.607 0.066 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.567 5.758 -1.412 1.00 0.30 H new ATOM 341 N GLY A 22 13.052 8.933 -1.529 1.00 0.31 N ATOM 342 CA GLY A 22 14.014 9.211 -0.479 1.00 0.36 C ATOM 343 C GLY A 22 13.950 8.218 0.663 1.00 0.34 C ATOM 344 O GLY A 22 14.210 8.571 1.815 1.00 0.39 O ATOM 0 H GLY A 22 13.393 8.330 -2.277 1.00 0.31 H new ATOM 0 HA2 GLY A 22 15.018 9.204 -0.903 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.839 10.214 -0.091 1.00 0.36 H new ATOM 348 N LEU A 23 13.591 6.980 0.354 1.00 0.28 N ATOM 349 CA LEU A 23 13.522 5.943 1.368 1.00 0.27 C ATOM 350 C LEU A 23 14.933 5.559 1.799 1.00 0.28 C ATOM 351 O LEU A 23 15.798 5.329 0.955 1.00 0.28 O ATOM 352 CB LEU A 23 12.784 4.716 0.829 1.00 0.24 C ATOM 353 CG LEU A 23 12.329 3.700 1.879 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.273 4.295 2.795 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.792 2.447 1.209 1.00 0.25 C ATOM 0 H LEU A 23 13.344 6.672 -0.587 1.00 0.28 H new ATOM 0 HA LEU A 23 12.972 6.324 2.229 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.908 5.056 0.276 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.434 4.208 0.117 1.00 0.24 H new ATOM 0 HG LEU A 23 13.196 3.434 2.484 1.00 0.26 H new ATOM 0 HD11 LEU A 23 10.968 3.551 3.531 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.684 5.165 3.307 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.408 4.597 2.205 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.473 1.735 1.971 1.00 0.25 H new ATOM 0 HD22 LEU A 23 10.943 2.708 0.577 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.574 1.998 0.598 1.00 0.25 H new ATOM 367 N PRO A 24 15.197 5.518 3.109 1.00 0.30 N ATOM 368 CA PRO A 24 16.516 5.147 3.631 1.00 0.32 C ATOM 369 C PRO A 24 16.850 3.689 3.336 1.00 0.30 C ATOM 370 O PRO A 24 15.975 2.823 3.392 1.00 0.28 O ATOM 371 CB PRO A 24 16.381 5.368 5.138 1.00 0.37 C ATOM 372 CG PRO A 24 14.923 5.317 5.416 1.00 0.36 C ATOM 373 CD PRO A 24 14.243 5.838 4.185 1.00 0.33 C ATOM 0 HA PRO A 24 17.317 5.729 3.176 1.00 0.32 H new ATOM 0 HB2 PRO A 24 16.914 4.599 5.697 1.00 0.37 H new ATOM 0 HB3 PRO A 24 16.804 6.328 5.434 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.604 4.298 5.635 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.671 5.924 6.286 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.279 5.356 4.024 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.057 6.910 4.252 1.00 0.33 H new ATOM 381 N ALA A 25 18.118 3.425 3.034 1.00 0.32 N ATOM 382 CA ALA A 25 18.575 2.071 2.721 1.00 0.34 C ATOM 383 C ALA A 25 18.197 1.090 3.826 1.00 0.35 C ATOM 384 O ALA A 25 17.848 -0.059 3.560 1.00 0.36 O ATOM 385 CB ALA A 25 20.081 2.057 2.511 1.00 0.39 C ATOM 0 H ALA A 25 18.851 4.133 2.999 1.00 0.32 H new ATOM 0 HA ALA A 25 18.081 1.757 1.802 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.407 1.043 2.279 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.339 2.719 1.685 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.578 2.399 3.419 1.00 0.39 H new ATOM 391 N ASP A 26 18.252 1.572 5.063 1.00 0.37 N ATOM 392 CA ASP A 26 17.927 0.766 6.236 1.00 0.40 C ATOM 393 C ASP A 26 16.539 0.151 6.113 1.00 0.38 C ATOM 394 O ASP A 26 16.343 -1.028 6.411 1.00 0.42 O ATOM 395 CB ASP A 26 17.973 1.621 7.507 1.00 0.46 C ATOM 396 CG ASP A 26 19.252 2.419 7.642 1.00 1.27 C ATOM 397 OD1 ASP A 26 19.420 3.412 6.900 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.089 2.073 8.498 1.00 2.03 O ATOM 0 H ASP A 26 18.523 2.531 5.281 1.00 0.37 H new ATOM 0 HA ASP A 26 18.669 -0.030 6.298 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.124 2.304 7.508 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.863 0.974 8.377 1.00 0.46 H new ATOM 403 N LYS A 27 15.587 0.953 5.645 1.00 0.35 N ATOM 404 CA LYS A 27 14.209 0.505 5.499 1.00 0.36 C ATOM 405 C LYS A 27 14.000 -0.169 4.149 1.00 0.32 C ATOM 406 O LYS A 27 13.166 -1.064 4.018 1.00 0.33 O ATOM 407 CB LYS A 27 13.245 1.685 5.646 1.00 0.39 C ATOM 408 CG LYS A 27 13.518 2.555 6.865 1.00 0.41 C ATOM 409 CD LYS A 27 12.913 1.977 8.136 1.00 0.48 C ATOM 410 CE LYS A 27 11.658 2.740 8.555 1.00 0.72 C ATOM 411 NZ LYS A 27 11.244 2.441 9.955 1.00 0.94 N ATOM 0 H LYS A 27 15.747 1.919 5.360 1.00 0.35 H new ATOM 0 HA LYS A 27 14.004 -0.221 6.286 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.303 2.303 4.750 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.226 1.304 5.705 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.594 2.665 6.996 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.114 3.553 6.694 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.666 0.927 7.978 1.00 0.48 H new ATOM 0 HD3 LYS A 27 13.648 2.014 8.940 1.00 0.48 H new ATOM 0 HE2 LYS A 27 11.838 3.810 8.454 1.00 0.72 H new ATOM 0 HE3 LYS A 27 10.842 2.489 7.878 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 10.388 2.984 10.188 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 11.045 1.425 10.049 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 12.010 2.705 10.607 1.00 0.94 H new ATOM 425 N ILE A 28 14.762 0.271 3.153 1.00 0.30 N ATOM 426 CA ILE A 28 14.674 -0.286 1.809 1.00 0.29 C ATOM 427 C ILE A 28 15.022 -1.775 1.824 1.00 0.34 C ATOM 428 O ILE A 28 14.227 -2.610 1.402 1.00 0.37 O ATOM 429 CB ILE A 28 15.622 0.445 0.824 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.085 1.828 0.461 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.833 -0.379 -0.436 1.00 0.35 C ATOM 432 CD1 ILE A 28 15.995 2.605 -0.467 1.00 0.26 C ATOM 0 H ILE A 28 15.451 1.016 3.253 1.00 0.30 H new ATOM 0 HA ILE A 28 13.647 -0.149 1.470 1.00 0.29 H new ATOM 0 HB ILE A 28 16.581 0.571 1.326 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.108 1.718 -0.010 1.00 0.25 H new ATOM 0 HG13 ILE A 28 14.935 2.402 1.375 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.502 0.154 -1.112 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.274 -1.340 -0.173 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.874 -0.543 -0.928 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.551 3.577 -0.682 1.00 0.26 H new ATOM 0 HD12 ILE A 28 16.965 2.747 0.009 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.125 2.051 -1.397 1.00 0.26 H new ATOM 444 N GLU A 29 16.214 -2.096 2.327 1.00 0.37 N ATOM 445 CA GLU A 29 16.677 -3.478 2.397 1.00 0.44 C ATOM 446 C GLU A 29 15.796 -4.291 3.335 1.00 0.43 C ATOM 447 O GLU A 29 15.593 -5.491 3.145 1.00 0.47 O ATOM 448 CB GLU A 29 18.130 -3.534 2.880 1.00 0.52 C ATOM 449 CG GLU A 29 19.061 -2.571 2.158 1.00 0.55 C ATOM 450 CD GLU A 29 19.356 -2.985 0.730 1.00 0.94 C ATOM 451 OE1 GLU A 29 18.738 -3.953 0.235 1.00 1.41 O ATOM 452 OE2 GLU A 29 20.213 -2.341 0.097 1.00 1.73 O ATOM 0 H GLU A 29 16.877 -1.413 2.693 1.00 0.37 H new ATOM 0 HA GLU A 29 16.618 -3.905 1.396 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.156 -3.316 3.948 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.505 -4.549 2.753 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.615 -1.577 2.157 1.00 0.55 H new ATOM 0 HG3 GLU A 29 19.998 -2.499 2.710 1.00 0.55 H new ATOM 459 N MET A 30 15.273 -3.612 4.343 1.00 0.41 N ATOM 460 CA MET A 30 14.415 -4.227 5.335 1.00 0.43 C ATOM 461 C MET A 30 13.095 -4.674 4.707 1.00 0.40 C ATOM 462 O MET A 30 12.567 -5.735 5.039 1.00 0.41 O ATOM 463 CB MET A 30 14.163 -3.222 6.462 1.00 0.45 C ATOM 464 CG MET A 30 13.566 -3.823 7.721 1.00 0.46 C ATOM 465 SD MET A 30 14.574 -5.144 8.411 1.00 0.63 S ATOM 466 CE MET A 30 13.482 -6.529 8.125 1.00 0.97 C ATOM 0 H MET A 30 15.434 -2.616 4.494 1.00 0.41 H new ATOM 0 HA MET A 30 14.905 -5.113 5.739 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.106 -2.738 6.718 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.495 -2.443 6.094 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.442 -3.039 8.468 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.572 -4.210 7.497 1.00 0.46 H new ATOM 0 HE1 MET A 30 14.072 -7.415 7.889 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.889 -6.716 9.020 1.00 0.97 H new ATOM 0 HE3 MET A 30 12.818 -6.303 7.291 1.00 0.97 H new ATOM 476 N GLY A 31 12.584 -3.875 3.777 1.00 0.39 N ATOM 477 CA GLY A 31 11.325 -4.195 3.132 1.00 0.39 C ATOM 478 C GLY A 31 11.472 -4.469 1.648 1.00 0.43 C ATOM 479 O GLY A 31 10.557 -4.198 0.869 1.00 0.51 O ATOM 0 H GLY A 31 13.020 -3.010 3.458 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.887 -5.068 3.615 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.629 -3.369 3.276 1.00 0.39 H new ATOM 483 N ARG A 32 12.605 -5.025 1.248 1.00 0.43 N ATOM 484 CA ARG A 32 12.843 -5.302 -0.158 1.00 0.50 C ATOM 485 C ARG A 32 12.277 -6.646 -0.578 1.00 0.44 C ATOM 486 O ARG A 32 12.857 -7.692 -0.278 1.00 0.49 O ATOM 487 CB ARG A 32 14.334 -5.275 -0.472 1.00 0.60 C ATOM 488 CG ARG A 32 14.738 -4.122 -1.364 1.00 0.78 C ATOM 489 CD ARG A 32 16.232 -4.118 -1.626 1.00 0.71 C ATOM 490 NE ARG A 32 16.558 -3.575 -2.941 1.00 1.31 N ATOM 491 CZ ARG A 32 17.782 -3.196 -3.300 1.00 1.49 C ATOM 492 NH1 ARG A 32 18.781 -3.247 -2.427 1.00 1.65 N ATOM 493 NH2 ARG A 32 18.005 -2.748 -4.527 1.00 2.27 N ATOM 0 H ARG A 32 13.367 -5.291 1.871 1.00 0.43 H new ATOM 0 HA ARG A 32 12.332 -4.519 -0.719 1.00 0.50 H new ATOM 0 HB2 ARG A 32 14.894 -5.216 0.462 1.00 0.60 H new ATOM 0 HB3 ARG A 32 14.614 -6.212 -0.953 1.00 0.60 H new ATOM 0 HG2 ARG A 32 14.202 -4.188 -2.311 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.447 -3.181 -0.898 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.733 -3.530 -0.857 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.616 -5.135 -1.549 1.00 0.71 H new ATOM 0 HE ARG A 32 15.805 -3.481 -3.623 1.00 1.31 H new ATOM 0 HH11 ARG A 32 18.612 -3.578 -1.477 1.00 1.65 H new ATOM 0 HH12 ARG A 32 19.718 -2.956 -2.706 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.238 -2.693 -5.197 1.00 2.27 H new ATOM 0 HH22 ARG A 32 18.944 -2.458 -4.801 1.00 2.27 H new ATOM 507 N ASN A 33 11.144 -6.599 -1.273 1.00 0.53 N ATOM 508 CA ASN A 33 10.484 -7.797 -1.806 1.00 0.67 C ATOM 509 C ASN A 33 10.177 -8.817 -0.709 1.00 0.59 C ATOM 510 O ASN A 33 10.137 -10.021 -0.968 1.00 0.69 O ATOM 511 CB ASN A 33 11.329 -8.445 -2.914 1.00 0.80 C ATOM 512 CG ASN A 33 12.026 -7.463 -3.802 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.133 -7.008 -3.513 1.00 1.72 O ATOM 514 ND2 ASN A 33 11.407 -7.142 -4.893 1.00 1.78 N ATOM 0 H ASN A 33 10.653 -5.730 -1.485 1.00 0.53 H new ATOM 0 HA ASN A 33 9.535 -7.473 -2.233 1.00 0.67 H new ATOM 0 HB2 ASN A 33 12.073 -9.096 -2.455 1.00 0.80 H new ATOM 0 HB3 ASN A 33 10.685 -9.078 -3.525 1.00 0.80 H new ATOM 0 HD21 ASN A 33 11.836 -6.490 -5.550 1.00 1.78 H new ATOM 0 HD22 ASN A 33 10.491 -7.541 -5.096 1.00 1.78 H new ATOM 521 N CYS A 34 9.981 -8.335 0.512 1.00 0.47 N ATOM 522 CA CYS A 34 9.681 -9.204 1.644 1.00 0.41 C ATOM 523 C CYS A 34 8.229 -9.673 1.596 1.00 0.41 C ATOM 524 O CYS A 34 7.408 -9.108 0.869 1.00 0.48 O ATOM 525 CB CYS A 34 9.958 -8.473 2.957 1.00 0.38 C ATOM 526 SG CYS A 34 11.592 -7.701 3.024 1.00 1.16 S ATOM 0 H CYS A 34 10.025 -7.343 0.745 1.00 0.47 H new ATOM 0 HA CYS A 34 10.326 -10.081 1.585 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.197 -7.707 3.104 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.864 -9.178 3.783 1.00 0.38 H new ATOM 0 HG CYS A 34 11.702 -7.012 4.121 1.00 1.16 H new ATOM 532 N LYS A 35 7.917 -10.705 2.375 1.00 0.39 N ATOM 533 CA LYS A 35 6.564 -11.251 2.412 1.00 0.42 C ATOM 534 C LYS A 35 5.606 -10.363 3.212 1.00 0.38 C ATOM 535 O LYS A 35 5.288 -10.649 4.365 1.00 0.40 O ATOM 536 CB LYS A 35 6.560 -12.682 2.975 1.00 0.47 C ATOM 537 CG LYS A 35 7.308 -12.851 4.297 1.00 0.48 C ATOM 538 CD LYS A 35 6.957 -14.174 4.974 1.00 1.13 C ATOM 539 CE LYS A 35 7.479 -15.377 4.202 1.00 1.64 C ATOM 540 NZ LYS A 35 6.420 -16.008 3.374 1.00 2.49 N ATOM 0 H LYS A 35 8.581 -11.179 2.988 1.00 0.39 H new ATOM 0 HA LYS A 35 6.207 -11.279 1.382 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.527 -13.000 3.115 1.00 0.47 H new ATOM 0 HB3 LYS A 35 7.002 -13.350 2.235 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.382 -12.807 4.117 1.00 0.48 H new ATOM 0 HG3 LYS A 35 7.063 -12.024 4.963 1.00 0.48 H new ATOM 0 HD2 LYS A 35 7.372 -14.185 5.982 1.00 1.13 H new ATOM 0 HD3 LYS A 35 5.874 -14.252 5.074 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.304 -15.066 3.561 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.878 -16.111 4.902 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 6.817 -16.823 2.865 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 5.644 -16.328 3.988 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 6.056 -15.315 2.689 1.00 2.49 H new ATOM 554 N ILE A 36 5.175 -9.268 2.606 1.00 0.36 N ATOM 555 CA ILE A 36 4.233 -8.365 3.248 1.00 0.34 C ATOM 556 C ILE A 36 2.811 -8.876 3.062 1.00 0.33 C ATOM 557 O ILE A 36 2.359 -9.074 1.934 1.00 0.41 O ATOM 558 CB ILE A 36 4.320 -6.938 2.671 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.767 -6.450 2.658 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.437 -5.984 3.467 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.439 -6.510 4.004 1.00 0.66 C ATOM 0 H ILE A 36 5.463 -8.983 1.670 1.00 0.36 H new ATOM 0 HA ILE A 36 4.492 -8.330 4.306 1.00 0.34 H new ATOM 0 HB ILE A 36 3.959 -6.961 1.643 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.337 -7.051 1.950 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.791 -5.422 2.295 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.511 -4.982 3.045 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.402 -6.322 3.420 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.766 -5.966 4.506 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.463 -6.148 3.916 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.893 -5.886 4.711 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.448 -7.540 4.361 1.00 0.66 H new ATOM 573 N VAL A 37 2.119 -9.105 4.165 1.00 0.29 N ATOM 574 CA VAL A 37 0.747 -9.581 4.108 1.00 0.29 C ATOM 575 C VAL A 37 -0.220 -8.421 4.292 1.00 0.30 C ATOM 576 O VAL A 37 -0.095 -7.647 5.240 1.00 0.37 O ATOM 577 CB VAL A 37 0.454 -10.651 5.177 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.877 -11.334 4.907 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.577 -11.675 5.239 1.00 0.32 C ATOM 0 H VAL A 37 2.483 -8.970 5.108 1.00 0.29 H new ATOM 0 HA VAL A 37 0.611 -10.035 3.127 1.00 0.29 H new ATOM 0 HB VAL A 37 0.392 -10.153 6.144 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.063 -12.085 5.674 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.676 -10.593 4.924 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.848 -11.814 3.929 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.348 -12.420 6.001 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.677 -12.165 4.270 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.512 -11.175 5.490 1.00 0.32 H new ATOM 589 N THR A 38 -1.159 -8.301 3.372 1.00 0.25 N ATOM 590 CA THR A 38 -2.165 -7.250 3.412 1.00 0.26 C ATOM 591 C THR A 38 -3.539 -7.856 3.718 1.00 0.24 C ATOM 592 O THR A 38 -4.102 -8.552 2.881 1.00 0.23 O ATOM 593 CB THR A 38 -2.231 -6.514 2.058 1.00 0.27 C ATOM 594 OG1 THR A 38 -0.914 -6.095 1.673 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.165 -5.314 2.129 1.00 0.30 C ATOM 0 H THR A 38 -1.248 -8.929 2.574 1.00 0.25 H new ATOM 0 HA THR A 38 -1.890 -6.541 4.193 1.00 0.26 H new ATOM 0 HB THR A 38 -2.627 -7.201 1.310 1.00 0.27 H new ATOM 0 HG1 THR A 38 -0.958 -5.629 0.812 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.191 -4.815 1.160 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.168 -5.649 2.392 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.805 -4.617 2.886 1.00 0.30 H new ATOM 603 N GLU A 39 -4.056 -7.631 4.918 1.00 0.25 N ATOM 604 CA GLU A 39 -5.365 -8.165 5.280 1.00 0.25 C ATOM 605 C GLU A 39 -6.431 -7.097 5.105 1.00 0.24 C ATOM 606 O GLU A 39 -6.360 -6.034 5.731 1.00 0.28 O ATOM 607 CB GLU A 39 -5.382 -8.678 6.718 1.00 0.28 C ATOM 608 CG GLU A 39 -4.337 -9.739 7.006 1.00 0.38 C ATOM 609 CD GLU A 39 -4.467 -10.303 8.401 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.530 -9.510 9.365 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.507 -11.542 8.545 1.00 1.39 O ATOM 0 H GLU A 39 -3.597 -7.089 5.651 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.576 -9.004 4.617 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.228 -7.838 7.395 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.369 -9.086 6.936 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.431 -10.546 6.279 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.343 -9.311 6.880 1.00 0.38 H new ATOM 618 N VAL A 40 -7.406 -7.376 4.253 1.00 0.20 N ATOM 619 CA VAL A 40 -8.481 -6.439 3.982 1.00 0.20 C ATOM 620 C VAL A 40 -9.827 -6.960 4.469 1.00 0.21 C ATOM 621 O VAL A 40 -10.262 -8.044 4.070 1.00 0.20 O ATOM 622 CB VAL A 40 -8.589 -6.160 2.473 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.692 -5.152 2.184 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.255 -5.684 1.914 1.00 0.22 C ATOM 0 H VAL A 40 -7.473 -8.252 3.735 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.239 -5.523 4.521 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.850 -7.094 1.974 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.748 -4.972 1.110 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.646 -5.545 2.536 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.473 -4.216 2.698 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.356 -5.493 0.846 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -6.955 -4.766 2.420 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.498 -6.451 2.076 1.00 0.22 H new ATOM 634 N VAL A 41 -10.477 -6.196 5.336 1.00 0.24 N ATOM 635 CA VAL A 41 -11.792 -6.554 5.845 1.00 0.27 C ATOM 636 C VAL A 41 -12.819 -5.623 5.209 1.00 0.29 C ATOM 637 O VAL A 41 -12.675 -4.400 5.270 1.00 0.31 O ATOM 638 CB VAL A 41 -11.865 -6.456 7.383 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.248 -6.849 7.885 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.792 -7.331 8.017 1.00 0.95 C ATOM 0 H VAL A 41 -10.111 -5.318 5.703 1.00 0.24 H new ATOM 0 HA VAL A 41 -11.999 -7.592 5.585 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.685 -5.421 7.673 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.276 -6.772 8.972 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -13.995 -6.181 7.455 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.465 -7.875 7.588 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -10.854 -7.253 9.102 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -10.945 -8.368 7.718 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.808 -6.999 7.685 1.00 0.95 H new ATOM 650 N GLN A 42 -13.846 -6.190 4.596 1.00 0.31 N ATOM 651 CA GLN A 42 -14.852 -5.395 3.910 1.00 0.36 C ATOM 652 C GLN A 42 -16.113 -5.202 4.735 1.00 0.30 C ATOM 653 O GLN A 42 -16.876 -6.141 4.962 1.00 0.42 O ATOM 654 CB GLN A 42 -15.206 -6.061 2.582 1.00 0.53 C ATOM 655 CG GLN A 42 -16.147 -5.258 1.692 1.00 1.14 C ATOM 656 CD GLN A 42 -16.466 -5.970 0.387 1.00 1.35 C ATOM 657 OE1 GLN A 42 -15.756 -5.820 -0.614 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.536 -6.752 0.386 1.00 1.59 N ATOM 0 H GLN A 42 -14.005 -7.197 4.559 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.425 -4.406 3.742 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.285 -6.253 2.032 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.662 -7.029 2.788 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.074 -5.063 2.232 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -15.696 -4.290 1.473 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.097 -6.850 1.232 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -17.799 -7.256 -0.461 1.00 1.59 H new ATOM 667 N ASN A 43 -16.317 -3.988 5.208 1.00 0.30 N ATOM 668 CA ASN A 43 -17.519 -3.657 5.950 1.00 0.37 C ATOM 669 C ASN A 43 -18.182 -2.450 5.301 1.00 0.34 C ATOM 670 O ASN A 43 -18.111 -1.310 5.768 1.00 0.37 O ATOM 671 CB ASN A 43 -17.233 -3.468 7.445 1.00 0.53 C ATOM 672 CG ASN A 43 -16.392 -2.241 7.777 1.00 0.97 C ATOM 673 OD1 ASN A 43 -16.911 -1.195 8.178 1.00 1.44 O ATOM 674 ND2 ASN A 43 -15.090 -2.375 7.649 1.00 1.73 N ATOM 0 H ASN A 43 -15.665 -3.213 5.092 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.221 -4.490 5.905 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -18.181 -3.398 7.977 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.722 -4.355 7.819 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -14.472 -1.599 7.884 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -14.698 -3.255 7.314 1.00 1.73 H new ATOM 681 N GLY A 44 -18.804 -2.736 4.173 1.00 0.35 N ATOM 682 CA GLY A 44 -19.489 -1.724 3.400 1.00 0.37 C ATOM 683 C GLY A 44 -18.542 -0.945 2.522 1.00 0.34 C ATOM 684 O GLY A 44 -17.973 -1.480 1.575 1.00 0.40 O ATOM 0 H GLY A 44 -18.847 -3.672 3.770 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.252 -2.196 2.781 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.004 -1.040 4.074 1.00 0.37 H new ATOM 688 N ASN A 45 -18.363 0.318 2.855 1.00 0.31 N ATOM 689 CA ASN A 45 -17.481 1.190 2.101 1.00 0.29 C ATOM 690 C ASN A 45 -16.165 1.388 2.840 1.00 0.28 C ATOM 691 O ASN A 45 -15.279 2.107 2.376 1.00 0.29 O ATOM 692 CB ASN A 45 -18.144 2.549 1.861 1.00 0.32 C ATOM 693 CG ASN A 45 -18.795 2.663 0.497 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.902 3.756 -0.064 1.00 0.41 O ATOM 695 ND2 ASN A 45 -19.240 1.541 -0.049 1.00 0.43 N ATOM 0 H ASN A 45 -18.820 0.767 3.649 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.281 0.717 1.139 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -18.896 2.720 2.631 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.396 3.335 1.966 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -19.689 1.563 -0.964 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.133 0.656 0.446 1.00 0.43 H new ATOM 702 N ASP A 46 -16.041 0.750 3.995 1.00 0.30 N ATOM 703 CA ASP A 46 -14.834 0.864 4.797 1.00 0.29 C ATOM 704 C ASP A 46 -13.943 -0.353 4.619 1.00 0.28 C ATOM 705 O ASP A 46 -14.323 -1.474 4.965 1.00 0.36 O ATOM 706 CB ASP A 46 -15.189 1.051 6.273 1.00 0.33 C ATOM 707 CG ASP A 46 -13.967 1.093 7.166 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.314 2.158 7.234 1.00 1.36 O ATOM 709 OD2 ASP A 46 -13.666 0.070 7.816 1.00 1.29 O ATOM 0 H ASP A 46 -16.761 0.149 4.396 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.284 1.740 4.455 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.754 1.976 6.393 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.840 0.237 6.592 1.00 0.33 H new ATOM 714 N PHE A 47 -12.779 -0.129 4.031 1.00 0.23 N ATOM 715 CA PHE A 47 -11.806 -1.182 3.817 1.00 0.23 C ATOM 716 C PHE A 47 -10.608 -0.973 4.730 1.00 0.23 C ATOM 717 O PHE A 47 -10.145 0.152 4.920 1.00 0.24 O ATOM 718 CB PHE A 47 -11.350 -1.211 2.352 1.00 0.25 C ATOM 719 CG PHE A 47 -12.442 -1.590 1.395 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.347 -0.642 0.946 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.563 -2.895 0.946 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.352 -0.987 0.066 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.567 -3.249 0.065 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.464 -2.293 -0.376 1.00 0.34 C ATOM 0 H PHE A 47 -12.485 0.786 3.690 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.274 -2.138 4.051 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -10.964 -0.229 2.080 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.526 -1.917 2.250 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.265 0.379 1.289 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -11.865 -3.644 1.288 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.050 -0.238 -0.277 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.651 -4.270 -0.278 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.250 -2.566 -1.064 1.00 0.34 H new ATOM 734 N THR A 48 -10.127 -2.049 5.309 1.00 0.26 N ATOM 735 CA THR A 48 -8.992 -1.982 6.198 1.00 0.27 C ATOM 736 C THR A 48 -7.744 -2.545 5.538 1.00 0.28 C ATOM 737 O THR A 48 -7.785 -3.594 4.902 1.00 0.38 O ATOM 738 CB THR A 48 -9.269 -2.744 7.503 1.00 0.29 C ATOM 739 OG1 THR A 48 -10.071 -3.900 7.232 1.00 0.53 O ATOM 740 CG2 THR A 48 -9.986 -1.853 8.508 1.00 0.56 C ATOM 0 H THR A 48 -10.507 -2.986 5.179 1.00 0.26 H new ATOM 0 HA THR A 48 -8.824 -0.930 6.429 1.00 0.27 H new ATOM 0 HB THR A 48 -8.314 -3.052 7.928 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.714 -4.668 7.725 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.172 -2.414 9.424 1.00 0.56 H new ATOM 0 HG22 THR A 48 -9.365 -0.986 8.733 1.00 0.56 H new ATOM 0 HG23 THR A 48 -10.935 -1.521 8.087 1.00 0.56 H new ATOM 748 N TRP A 49 -6.649 -1.819 5.669 1.00 0.23 N ATOM 749 CA TRP A 49 -5.376 -2.245 5.114 1.00 0.23 C ATOM 750 C TRP A 49 -4.446 -2.641 6.250 1.00 0.23 C ATOM 751 O TRP A 49 -3.876 -1.784 6.929 1.00 0.24 O ATOM 752 CB TRP A 49 -4.750 -1.117 4.287 1.00 0.25 C ATOM 753 CG TRP A 49 -4.381 -1.518 2.889 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.123 -1.591 2.366 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.273 -1.894 1.832 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.175 -1.987 1.054 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.483 -2.181 0.700 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.662 -2.014 1.727 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.035 -2.582 -0.513 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.209 -2.413 0.521 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.395 -2.693 -0.584 1.00 0.42 C ATOM 0 H TRP A 49 -6.615 -0.925 6.159 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.536 -3.101 4.458 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.449 -0.282 4.242 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -3.857 -0.758 4.799 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.216 -1.369 2.908 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.370 -2.116 0.441 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.297 -1.799 2.574 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.411 -2.798 -1.368 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.281 -2.510 0.430 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -6.852 -3.003 -1.512 1.00 0.42 H new ATOM 772 N THR A 50 -4.319 -3.937 6.468 1.00 0.22 N ATOM 773 CA THR A 50 -3.461 -4.448 7.517 1.00 0.24 C ATOM 774 C THR A 50 -2.174 -4.997 6.925 1.00 0.25 C ATOM 775 O THR A 50 -2.177 -6.056 6.302 1.00 0.35 O ATOM 776 CB THR A 50 -4.159 -5.566 8.304 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.573 -5.319 8.374 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.584 -5.671 9.705 1.00 0.28 C ATOM 0 H THR A 50 -4.802 -4.656 5.929 1.00 0.22 H new ATOM 0 HA THR A 50 -3.237 -3.622 8.191 1.00 0.24 H new ATOM 0 HB THR A 50 -3.988 -6.508 7.784 1.00 0.26 H new ATOM 0 HG1 THR A 50 -5.987 -5.542 7.514 1.00 0.27 H new ATOM 0 HG21 THR A 50 -4.091 -6.469 10.248 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.519 -5.893 9.645 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.729 -4.726 10.229 1.00 0.28 H new ATOM 786 N GLN A 51 -1.080 -4.281 7.123 1.00 0.22 N ATOM 787 CA GLN A 51 0.206 -4.700 6.594 1.00 0.23 C ATOM 788 C GLN A 51 1.013 -5.401 7.667 1.00 0.22 C ATOM 789 O GLN A 51 1.345 -4.811 8.697 1.00 0.24 O ATOM 790 CB GLN A 51 0.992 -3.500 6.064 1.00 0.27 C ATOM 791 CG GLN A 51 0.228 -2.642 5.063 1.00 0.56 C ATOM 792 CD GLN A 51 -0.543 -3.457 4.052 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.718 -3.746 4.246 1.00 1.62 O ATOM 794 NE2 GLN A 51 0.109 -3.829 2.964 1.00 0.82 N ATOM 0 H GLN A 51 -1.057 -3.406 7.647 1.00 0.22 H new ATOM 0 HA GLN A 51 0.023 -5.391 5.771 1.00 0.23 H new ATOM 0 HB2 GLN A 51 1.291 -2.876 6.906 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.907 -3.859 5.593 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.463 -1.994 5.602 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.930 -1.993 4.539 1.00 0.56 H new ATOM 0 HE21 GLN A 51 1.087 -3.567 2.841 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.366 -4.378 2.247 1.00 0.82 H new ATOM 803 N HIS A 52 1.335 -6.654 7.420 1.00 0.22 N ATOM 804 CA HIS A 52 2.102 -7.430 8.369 1.00 0.23 C ATOM 805 C HIS A 52 3.528 -7.596 7.905 1.00 0.23 C ATOM 806 O HIS A 52 3.794 -8.069 6.799 1.00 0.26 O ATOM 807 CB HIS A 52 1.460 -8.793 8.595 1.00 0.24 C ATOM 808 CG HIS A 52 0.111 -8.711 9.231 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.034 -8.614 10.591 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.110 -8.700 8.651 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.334 -8.545 10.810 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.025 -8.593 9.664 1.00 0.35 N ATOM 0 H HIS A 52 1.077 -7.156 6.570 1.00 0.22 H new ATOM 0 HA HIS A 52 2.110 -6.887 9.314 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.373 -9.309 7.639 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.115 -9.396 9.224 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.322 -8.763 7.594 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.783 -8.461 11.789 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.040 -8.557 9.565 1.00 0.35 H new ATOM 820 N PHE A 53 4.436 -7.178 8.760 1.00 0.25 N ATOM 821 CA PHE A 53 5.848 -7.274 8.479 1.00 0.27 C ATOM 822 C PHE A 53 6.442 -8.479 9.208 1.00 0.31 C ATOM 823 O PHE A 53 6.282 -8.610 10.427 1.00 0.34 O ATOM 824 CB PHE A 53 6.550 -5.993 8.918 1.00 0.24 C ATOM 825 CG PHE A 53 7.828 -5.730 8.190 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.906 -5.917 6.825 1.00 1.20 C ATOM 827 CD2 PHE A 53 8.951 -5.307 8.872 1.00 1.13 C ATOM 828 CE1 PHE A 53 9.082 -5.685 6.151 1.00 1.23 C ATOM 829 CE2 PHE A 53 10.130 -5.072 8.203 1.00 1.13 C ATOM 830 CZ PHE A 53 10.196 -5.262 6.842 1.00 0.34 C ATOM 0 H PHE A 53 4.215 -6.764 9.666 1.00 0.25 H new ATOM 0 HA PHE A 53 5.993 -7.406 7.407 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.876 -5.150 8.767 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.756 -6.050 9.987 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.034 -6.249 6.280 1.00 1.20 H new ATOM 0 HD2 PHE A 53 8.904 -5.159 9.941 1.00 1.13 H new ATOM 0 HE1 PHE A 53 9.132 -5.834 5.083 1.00 1.23 H new ATOM 0 HE2 PHE A 53 11.002 -4.739 8.745 1.00 1.13 H new ATOM 0 HZ PHE A 53 11.121 -5.080 6.315 1.00 0.34 H new ATOM 840 N PRO A 54 7.116 -9.377 8.476 1.00 0.35 N ATOM 841 CA PRO A 54 7.731 -10.567 9.064 1.00 0.41 C ATOM 842 C PRO A 54 8.850 -10.200 10.034 1.00 0.39 C ATOM 843 O PRO A 54 9.871 -9.633 9.642 1.00 0.37 O ATOM 844 CB PRO A 54 8.295 -11.315 7.846 1.00 0.46 C ATOM 845 CG PRO A 54 8.444 -10.281 6.790 1.00 0.45 C ATOM 846 CD PRO A 54 7.336 -9.296 7.024 1.00 0.39 C ATOM 0 HA PRO A 54 7.023 -11.157 9.646 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.252 -11.781 8.079 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.622 -12.111 7.526 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.418 -9.796 6.852 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.371 -10.723 5.796 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.620 -8.290 6.715 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.438 -9.560 6.465 1.00 0.39 H new ATOM 854 N GLY A 55 8.649 -10.525 11.305 1.00 0.43 N ATOM 855 CA GLY A 55 9.638 -10.214 12.316 1.00 0.46 C ATOM 856 C GLY A 55 9.816 -8.721 12.519 1.00 0.41 C ATOM 857 O GLY A 55 10.909 -8.266 12.861 1.00 0.43 O ATOM 0 H GLY A 55 7.816 -11.000 11.653 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.344 -10.673 13.260 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.594 -10.655 12.032 1.00 0.46 H new ATOM 861 N GLY A 56 8.747 -7.960 12.296 1.00 0.37 N ATOM 862 CA GLY A 56 8.815 -6.525 12.459 1.00 0.34 C ATOM 863 C GLY A 56 7.511 -5.928 12.944 1.00 0.35 C ATOM 864 O GLY A 56 6.614 -6.652 13.391 1.00 0.41 O ATOM 0 H GLY A 56 7.836 -8.316 12.005 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.607 -6.281 13.167 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.087 -6.068 11.507 1.00 0.34 H new ATOM 868 N ARG A 57 7.417 -4.608 12.858 1.00 0.34 N ATOM 869 CA ARG A 57 6.228 -3.875 13.282 1.00 0.38 C ATOM 870 C ARG A 57 5.117 -3.975 12.242 1.00 0.31 C ATOM 871 O ARG A 57 5.370 -4.050 11.039 1.00 0.28 O ATOM 872 CB ARG A 57 6.575 -2.406 13.544 1.00 0.45 C ATOM 873 CG ARG A 57 7.207 -1.697 12.353 1.00 0.43 C ATOM 874 CD ARG A 57 6.183 -0.887 11.580 1.00 0.53 C ATOM 875 NE ARG A 57 6.210 0.525 11.956 1.00 1.58 N ATOM 876 CZ ARG A 57 5.126 1.275 12.143 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.908 0.767 11.994 1.00 2.27 N ATOM 878 NH2 ARG A 57 5.258 2.545 12.484 1.00 3.34 N ATOM 0 H ARG A 57 8.161 -4.014 12.493 1.00 0.34 H new ATOM 0 HA ARG A 57 5.867 -4.326 14.206 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.668 -1.874 13.831 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.258 -2.350 14.391 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.005 -1.040 12.701 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.665 -2.432 11.692 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.376 -0.982 10.511 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.187 -1.292 11.761 1.00 0.53 H new ATOM 0 HE ARG A 57 7.121 0.966 12.084 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.792 -0.212 11.732 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.088 1.356 12.141 1.00 2.27 H new ATOM 0 HH21 ARG A 57 6.188 2.947 12.603 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.430 3.123 12.628 1.00 3.34 H new ATOM 892 N THR A 58 3.888 -3.975 12.716 1.00 0.36 N ATOM 893 CA THR A 58 2.731 -4.063 11.849 1.00 0.31 C ATOM 894 C THR A 58 2.130 -2.677 11.614 1.00 0.28 C ATOM 895 O THR A 58 2.418 -1.734 12.354 1.00 0.33 O ATOM 896 CB THR A 58 1.680 -5.017 12.451 1.00 0.35 C ATOM 897 OG1 THR A 58 0.705 -5.373 11.467 1.00 0.34 O ATOM 898 CG2 THR A 58 0.989 -4.389 13.649 1.00 0.39 C ATOM 0 H THR A 58 3.663 -3.914 13.709 1.00 0.36 H new ATOM 0 HA THR A 58 3.049 -4.464 10.887 1.00 0.31 H new ATOM 0 HB THR A 58 2.201 -5.915 12.783 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.056 -5.177 10.573 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.254 -5.086 14.051 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.728 -4.159 14.416 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.488 -3.471 13.340 1.00 0.39 H new ATOM 906 N THR A 59 1.336 -2.546 10.559 1.00 0.25 N ATOM 907 CA THR A 59 0.701 -1.275 10.228 1.00 0.27 C ATOM 908 C THR A 59 -0.720 -1.503 9.726 1.00 0.24 C ATOM 909 O THR A 59 -0.920 -2.106 8.673 1.00 0.36 O ATOM 910 CB THR A 59 1.504 -0.519 9.152 1.00 0.32 C ATOM 911 OG1 THR A 59 2.845 -1.026 9.105 1.00 0.49 O ATOM 912 CG2 THR A 59 1.534 0.973 9.448 1.00 0.48 C ATOM 0 H THR A 59 1.115 -3.306 9.916 1.00 0.25 H new ATOM 0 HA THR A 59 0.674 -0.673 11.137 1.00 0.27 H new ATOM 0 HB THR A 59 1.018 -0.672 8.188 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.457 -0.370 9.499 1.00 0.49 H new ATOM 0 HG21 THR A 59 2.106 1.486 8.675 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.516 1.361 9.463 1.00 0.48 H new ATOM 0 HG23 THR A 59 2.001 1.142 10.418 1.00 0.48 H new ATOM 920 N THR A 60 -1.704 -1.036 10.479 1.00 0.26 N ATOM 921 CA THR A 60 -3.099 -1.210 10.095 1.00 0.23 C ATOM 922 C THR A 60 -3.794 0.130 9.901 1.00 0.22 C ATOM 923 O THR A 60 -3.840 0.960 10.808 1.00 0.26 O ATOM 924 CB THR A 60 -3.871 -2.024 11.150 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.080 -3.136 11.584 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.194 -2.521 10.581 1.00 0.24 C ATOM 0 H THR A 60 -1.565 -0.535 11.357 1.00 0.26 H new ATOM 0 HA THR A 60 -3.098 -1.753 9.150 1.00 0.23 H new ATOM 0 HB THR A 60 -4.080 -1.377 12.002 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.576 -3.648 12.256 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.725 -3.094 11.341 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.803 -1.669 10.278 1.00 0.24 H new ATOM 0 HG23 THR A 60 -5.002 -3.156 9.716 1.00 0.24 H new ATOM 934 N ASN A 61 -4.344 0.331 8.714 1.00 0.25 N ATOM 935 CA ASN A 61 -5.051 1.566 8.400 1.00 0.26 C ATOM 936 C ASN A 61 -6.472 1.258 7.975 1.00 0.29 C ATOM 937 O ASN A 61 -6.706 0.365 7.165 1.00 0.51 O ATOM 938 CB ASN A 61 -4.359 2.344 7.274 1.00 0.36 C ATOM 939 CG ASN A 61 -2.855 2.450 7.444 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.356 3.399 8.034 1.00 1.43 O ATOM 941 ND2 ASN A 61 -2.122 1.483 6.911 1.00 1.72 N ATOM 0 H ASN A 61 -4.315 -0.345 7.950 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.049 2.179 9.301 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.575 1.859 6.322 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.782 3.347 7.224 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -1.105 1.514 6.985 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -2.575 0.708 6.427 1.00 1.72 H new ATOM 948 N SER A 62 -7.414 1.988 8.525 1.00 0.21 N ATOM 949 CA SER A 62 -8.806 1.797 8.188 1.00 0.25 C ATOM 950 C SER A 62 -9.313 3.026 7.456 1.00 0.23 C ATOM 951 O SER A 62 -9.224 4.141 7.973 1.00 0.29 O ATOM 952 CB SER A 62 -9.606 1.530 9.458 1.00 0.34 C ATOM 953 OG SER A 62 -9.498 2.607 10.378 1.00 1.04 O ATOM 0 H SER A 62 -7.241 2.723 9.211 1.00 0.21 H new ATOM 0 HA SER A 62 -8.924 0.935 7.531 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.654 1.372 9.203 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.250 0.613 9.927 1.00 0.34 H new ATOM 0 HG SER A 62 -9.389 3.448 9.886 1.00 1.04 H new ATOM 959 N PHE A 63 -9.827 2.836 6.251 1.00 0.18 N ATOM 960 CA PHE A 63 -10.299 3.959 5.466 1.00 0.17 C ATOM 961 C PHE A 63 -11.662 3.701 4.850 1.00 0.18 C ATOM 962 O PHE A 63 -11.933 2.635 4.301 1.00 0.24 O ATOM 963 CB PHE A 63 -9.288 4.312 4.365 1.00 0.17 C ATOM 964 CG PHE A 63 -9.007 3.185 3.411 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.047 2.230 3.707 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.708 3.081 2.220 1.00 0.88 C ATOM 967 CE1 PHE A 63 -7.791 1.192 2.831 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.458 2.046 1.342 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.497 1.099 1.649 1.00 0.23 C ATOM 0 H PHE A 63 -9.926 1.926 5.802 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.400 4.801 6.150 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.663 5.167 3.802 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.353 4.623 4.830 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.493 2.298 4.632 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.459 3.818 1.976 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.039 0.455 3.071 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.011 1.975 0.417 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.300 0.288 0.964 1.00 0.23 H new ATOM 979 N THR A 64 -12.512 4.696 4.953 1.00 0.17 N ATOM 980 CA THR A 64 -13.839 4.627 4.389 1.00 0.19 C ATOM 981 C THR A 64 -13.880 5.467 3.122 1.00 0.18 C ATOM 982 O THR A 64 -13.426 6.610 3.118 1.00 0.19 O ATOM 983 CB THR A 64 -14.895 5.137 5.392 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.955 4.274 6.536 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.272 5.239 4.747 1.00 0.22 C ATOM 0 H THR A 64 -12.304 5.574 5.429 1.00 0.17 H new ATOM 0 HA THR A 64 -14.071 3.588 4.157 1.00 0.19 H new ATOM 0 HB THR A 64 -14.594 6.135 5.710 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.218 3.629 6.498 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.992 5.601 5.481 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.230 5.933 3.907 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.581 4.256 4.391 1.00 0.22 H new ATOM 993 N ILE A 65 -14.369 4.882 2.038 1.00 0.18 N ATOM 994 CA ILE A 65 -14.475 5.587 0.772 1.00 0.18 C ATOM 995 C ILE A 65 -15.257 6.896 0.932 1.00 0.21 C ATOM 996 O ILE A 65 -16.353 6.913 1.497 1.00 0.24 O ATOM 997 CB ILE A 65 -15.151 4.712 -0.302 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.403 3.382 -0.454 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.209 5.448 -1.634 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -12.964 3.539 -0.905 1.00 0.19 C ATOM 0 H ILE A 65 -14.699 3.917 2.012 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.460 5.818 0.449 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.172 4.501 0.016 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.420 2.855 0.500 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -14.933 2.757 -1.173 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.689 4.814 -2.379 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.782 6.368 -1.517 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.197 5.689 -1.961 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.500 2.556 -0.990 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.939 4.037 -1.874 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.417 4.136 -0.176 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.645 7.982 0.454 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.215 9.337 0.501 1.00 0.23 C ATOM 1014 C ASP A 66 -15.139 9.901 1.916 1.00 0.23 C ATOM 1015 O ASP A 66 -15.820 10.870 2.257 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.659 9.355 -0.017 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.076 10.711 -0.559 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.537 11.131 -1.609 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -17.968 11.348 0.039 1.00 1.10 O ATOM 0 H ASP A 66 -13.725 7.948 0.016 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.622 9.973 -0.156 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.767 8.607 -0.802 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.333 9.069 0.791 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.293 9.291 2.734 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.111 9.711 4.111 1.00 0.22 C ATOM 1026 C LYS A 67 -12.627 9.868 4.428 1.00 0.21 C ATOM 1027 O LYS A 67 -11.791 9.120 3.916 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.749 8.692 5.060 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.358 8.866 6.518 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.015 10.088 7.140 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.306 10.514 8.416 1.00 1.15 C ATOM 1032 NZ LYS A 67 -14.949 11.699 9.042 1.00 1.59 N ATOM 0 H LYS A 67 -13.717 8.495 2.461 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.599 10.676 4.249 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.833 8.764 4.976 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.470 7.689 4.738 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.643 7.976 7.079 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.275 8.958 6.595 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -15.005 10.911 6.425 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.060 9.868 7.359 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.306 9.685 9.124 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.264 10.743 8.193 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -14.435 11.956 9.909 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -14.927 12.498 8.377 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -15.936 11.473 9.279 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.305 10.860 5.245 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.930 11.093 5.651 1.00 0.26 C ATOM 1048 C GLU A 68 -10.535 10.038 6.673 1.00 0.23 C ATOM 1049 O GLU A 68 -11.217 9.862 7.683 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.774 12.499 6.236 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.385 12.791 6.776 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.397 13.061 8.265 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.823 14.164 8.666 1.00 2.51 O ATOM 1054 OE2 GLU A 68 -8.995 12.174 9.043 1.00 2.55 O ATOM 0 H GLU A 68 -12.979 11.516 5.639 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.274 11.021 4.783 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -11.015 13.231 5.465 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.500 12.631 7.038 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -8.730 11.945 6.567 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.968 13.653 6.255 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.456 9.327 6.403 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.998 8.274 7.295 1.00 0.18 C ATOM 1063 C ALA A 69 -7.652 8.597 7.922 1.00 0.21 C ATOM 1064 O ALA A 69 -6.874 9.384 7.381 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.904 6.966 6.534 1.00 0.18 C ATOM 0 H ALA A 69 -8.879 9.459 5.572 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.725 8.189 8.103 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.561 6.179 7.205 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.885 6.704 6.139 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.198 7.074 5.710 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.374 7.953 9.047 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.118 8.142 9.754 1.00 0.24 C ATOM 1073 C ASP A 70 -5.177 7.039 9.324 1.00 0.22 C ATOM 1074 O ASP A 70 -5.475 5.855 9.497 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.323 8.109 11.271 1.00 0.31 C ATOM 1076 CG ASP A 70 -7.407 9.062 11.743 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -8.586 8.647 11.804 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -7.092 10.226 12.068 1.00 1.87 O ATOM 0 H ASP A 70 -8.009 7.290 9.492 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.701 9.119 9.510 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.581 7.095 11.575 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -5.385 8.361 11.765 1.00 0.31 H new ATOM 1083 N MET A 71 -4.052 7.415 8.751 1.00 0.20 N ATOM 1084 CA MET A 71 -3.104 6.437 8.262 1.00 0.20 C ATOM 1085 C MET A 71 -1.725 6.604 8.875 1.00 0.22 C ATOM 1086 O MET A 71 -1.423 7.601 9.534 1.00 0.26 O ATOM 1087 CB MET A 71 -2.979 6.548 6.749 1.00 0.22 C ATOM 1088 CG MET A 71 -4.309 6.511 6.044 1.00 0.19 C ATOM 1089 SD MET A 71 -4.299 7.468 4.526 1.00 0.20 S ATOM 1090 CE MET A 71 -6.056 7.625 4.284 1.00 0.20 C ATOM 0 H MET A 71 -3.773 8.386 8.613 1.00 0.20 H new ATOM 0 HA MET A 71 -3.486 5.458 8.550 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.468 7.478 6.500 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.356 5.733 6.381 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.570 5.477 5.818 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.082 6.896 6.709 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.257 7.902 3.249 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.540 6.674 4.506 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.447 8.395 4.949 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.905 5.599 8.646 1.00 0.24 N ATOM 1101 CA GLU A 72 0.464 5.574 9.109 1.00 0.25 C ATOM 1102 C GLU A 72 1.269 4.650 8.206 1.00 0.26 C ATOM 1103 O GLU A 72 0.762 3.622 7.753 1.00 0.29 O ATOM 1104 CB GLU A 72 0.541 5.093 10.562 1.00 0.28 C ATOM 1105 CG GLU A 72 1.940 4.695 11.007 1.00 0.30 C ATOM 1106 CD GLU A 72 1.991 4.243 12.453 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.442 4.954 13.323 1.00 1.32 O ATOM 1108 OE2 GLU A 72 2.591 3.185 12.724 1.00 1.47 O ATOM 0 H GLU A 72 -1.177 4.765 8.125 1.00 0.24 H new ATOM 0 HA GLU A 72 0.875 6.583 9.070 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.174 5.884 11.216 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.126 4.240 10.688 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.305 3.892 10.367 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.614 5.541 10.872 1.00 0.30 H new ATOM 1115 N THR A 73 2.504 5.023 7.916 1.00 0.26 N ATOM 1116 CA THR A 73 3.348 4.198 7.077 1.00 0.28 C ATOM 1117 C THR A 73 4.250 3.326 7.930 1.00 0.30 C ATOM 1118 O THR A 73 4.323 3.486 9.151 1.00 0.36 O ATOM 1119 CB THR A 73 4.230 5.040 6.140 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.233 5.733 6.893 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.394 6.034 5.360 1.00 0.32 C ATOM 0 H THR A 73 2.939 5.884 8.247 1.00 0.26 H new ATOM 0 HA THR A 73 2.683 3.582 6.472 1.00 0.28 H new ATOM 0 HB THR A 73 4.714 4.366 5.434 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.032 5.855 6.339 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.040 6.618 4.704 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.657 5.499 4.761 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.882 6.702 6.053 1.00 0.32 H new ATOM 1129 N MET A 74 4.968 2.426 7.280 1.00 0.32 N ATOM 1130 CA MET A 74 5.881 1.543 7.983 1.00 0.34 C ATOM 1131 C MET A 74 7.140 2.313 8.363 1.00 0.31 C ATOM 1132 O MET A 74 7.985 1.824 9.113 1.00 0.37 O ATOM 1133 CB MET A 74 6.244 0.325 7.127 1.00 0.42 C ATOM 1134 CG MET A 74 5.152 -0.731 7.047 1.00 0.76 C ATOM 1135 SD MET A 74 5.681 -2.203 6.151 1.00 0.93 S ATOM 1136 CE MET A 74 4.555 -3.418 6.827 1.00 1.05 C ATOM 0 H MET A 74 4.936 2.288 6.270 1.00 0.32 H new ATOM 0 HA MET A 74 5.388 1.181 8.885 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.482 0.662 6.118 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.147 -0.133 7.531 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.849 -1.013 8.055 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.276 -0.307 6.557 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.667 -4.358 6.287 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.781 -3.576 7.882 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.530 -3.061 6.725 1.00 1.05 H new ATOM 1146 N GLY A 75 7.269 3.519 7.817 1.00 0.28 N ATOM 1147 CA GLY A 75 8.408 4.352 8.126 1.00 0.31 C ATOM 1148 C GLY A 75 8.184 5.101 9.416 1.00 0.35 C ATOM 1149 O GLY A 75 9.127 5.581 10.043 1.00 0.48 O ATOM 0 H GLY A 75 6.601 3.931 7.165 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.304 3.737 8.207 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.579 5.059 7.314 1.00 0.31 H new ATOM 1153 N GLY A 76 6.924 5.175 9.822 1.00 0.34 N ATOM 1154 CA GLY A 76 6.582 5.856 11.047 1.00 0.39 C ATOM 1155 C GLY A 76 5.921 7.195 10.804 1.00 0.38 C ATOM 1156 O GLY A 76 5.945 8.066 11.671 1.00 0.48 O ATOM 0 H GLY A 76 6.132 4.773 9.320 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.913 5.226 11.634 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.484 6.003 11.641 1.00 0.39 H new ATOM 1160 N ARG A 77 5.328 7.372 9.628 1.00 0.38 N ATOM 1161 CA ARG A 77 4.663 8.631 9.297 1.00 0.38 C ATOM 1162 C ARG A 77 3.184 8.573 9.660 1.00 0.37 C ATOM 1163 O ARG A 77 2.453 7.729 9.149 1.00 0.36 O ATOM 1164 CB ARG A 77 4.799 8.953 7.803 1.00 0.37 C ATOM 1165 CG ARG A 77 6.164 8.638 7.225 1.00 0.39 C ATOM 1166 CD ARG A 77 6.164 8.745 5.707 1.00 0.43 C ATOM 1167 NE ARG A 77 6.696 10.023 5.248 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.766 10.146 4.466 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.456 9.068 4.101 1.00 0.80 N ATOM 1170 NH2 ARG A 77 8.160 11.350 4.066 1.00 0.85 N ATOM 0 H ARG A 77 5.293 6.667 8.892 1.00 0.38 H new ATOM 0 HA ARG A 77 5.149 9.416 9.877 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.044 8.393 7.251 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.586 10.011 7.649 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.903 9.324 7.639 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.462 7.632 7.520 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.758 7.933 5.287 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.147 8.621 5.335 1.00 0.43 H new ATOM 0 HE ARG A 77 6.219 10.874 5.544 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.165 8.144 4.421 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.275 9.166 3.502 1.00 0.80 H new ATOM 0 HH21 ARG A 77 7.643 12.179 4.358 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.980 11.445 3.467 1.00 0.85 H new ATOM 1184 N LYS A 78 2.756 9.462 10.548 1.00 0.42 N ATOM 1185 CA LYS A 78 1.357 9.527 10.960 1.00 0.43 C ATOM 1186 C LYS A 78 0.683 10.685 10.230 1.00 0.39 C ATOM 1187 O LYS A 78 1.140 11.829 10.319 1.00 0.44 O ATOM 1188 CB LYS A 78 1.239 9.706 12.479 1.00 0.57 C ATOM 1189 CG LYS A 78 1.695 8.493 13.282 1.00 0.75 C ATOM 1190 CD LYS A 78 3.193 8.520 13.546 1.00 1.12 C ATOM 1191 CE LYS A 78 3.733 7.144 13.905 1.00 1.69 C ATOM 1192 NZ LYS A 78 2.950 6.493 14.986 1.00 1.76 N ATOM 0 H LYS A 78 3.359 10.150 10.999 1.00 0.42 H new ATOM 0 HA LYS A 78 0.862 8.591 10.701 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.830 10.571 12.780 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.201 9.926 12.729 1.00 0.57 H new ATOM 0 HG2 LYS A 78 1.159 8.463 14.231 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.438 7.582 12.742 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.710 8.893 12.662 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.406 9.216 14.357 1.00 1.12 H new ATOM 0 HE2 LYS A 78 3.721 6.509 13.019 1.00 1.69 H new ATOM 0 HE3 LYS A 78 4.773 7.235 14.218 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.585 5.920 15.577 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 2.495 7.222 15.572 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 2.221 5.881 14.567 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.402 10.390 9.521 1.00 0.33 N ATOM 1207 CA PHE A 79 -1.100 11.395 8.725 1.00 0.31 C ATOM 1208 C PHE A 79 -2.540 10.977 8.441 1.00 0.28 C ATOM 1209 O PHE A 79 -2.973 9.900 8.847 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.353 11.579 7.404 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.243 10.305 6.614 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.828 9.453 6.816 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.213 9.951 5.693 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.930 8.274 6.112 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.119 8.768 4.989 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.046 7.928 5.197 1.00 0.26 C ATOM 0 H PHE A 79 -0.819 9.460 9.481 1.00 0.33 H new ATOM 0 HA PHE A 79 -1.126 12.330 9.285 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.866 12.330 6.804 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.647 11.962 7.608 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.592 9.715 7.533 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -2.053 10.608 5.523 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.773 7.619 6.275 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.885 8.501 4.276 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.032 7.002 4.646 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.278 11.840 7.755 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.660 11.558 7.395 1.00 0.33 C ATOM 1228 C LYS A 80 -4.916 11.956 5.949 1.00 0.27 C ATOM 1229 O LYS A 80 -4.346 12.932 5.460 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.618 12.301 8.324 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.572 11.797 9.756 1.00 0.65 C ATOM 1232 CD LYS A 80 -5.386 12.933 10.744 1.00 0.81 C ATOM 1233 CE LYS A 80 -6.686 13.676 10.985 1.00 1.64 C ATOM 1234 NZ LYS A 80 -7.802 12.751 11.315 1.00 2.55 N ATOM 0 H LYS A 80 -2.939 12.747 7.435 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.835 10.488 7.503 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.375 13.364 8.311 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.634 12.201 7.943 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.495 11.264 9.984 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -4.756 11.083 9.865 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -5.011 12.538 11.688 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.634 13.626 10.367 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -6.552 14.387 11.800 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -6.944 14.253 10.097 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -8.427 13.197 12.017 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -8.345 12.540 10.453 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -7.417 11.868 11.706 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.780 11.213 5.272 1.00 0.24 N ATOM 1249 CA ALA A 81 -6.088 11.485 3.874 1.00 0.20 C ATOM 1250 C ALA A 81 -7.473 10.974 3.498 1.00 0.19 C ATOM 1251 O ALA A 81 -8.052 10.144 4.199 1.00 0.19 O ATOM 1252 CB ALA A 81 -5.036 10.854 2.975 1.00 0.21 C ATOM 0 H ALA A 81 -6.280 10.417 5.668 1.00 0.24 H new ATOM 0 HA ALA A 81 -6.081 12.566 3.734 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.276 11.063 1.932 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -4.057 11.270 3.213 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -5.020 9.776 3.134 1.00 0.21 H new ATOM 1258 N THR A 82 -7.999 11.482 2.396 1.00 0.19 N ATOM 1259 CA THR A 82 -9.302 11.073 1.913 1.00 0.19 C ATOM 1260 C THR A 82 -9.139 10.043 0.800 1.00 0.20 C ATOM 1261 O THR A 82 -8.356 10.243 -0.132 1.00 0.28 O ATOM 1262 CB THR A 82 -10.097 12.275 1.383 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.792 13.438 2.163 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.591 12.002 1.440 1.00 0.25 C ATOM 0 H THR A 82 -7.537 12.184 1.817 1.00 0.19 H new ATOM 0 HA THR A 82 -9.851 10.635 2.746 1.00 0.19 H new ATOM 0 HB THR A 82 -9.814 12.444 0.344 1.00 0.23 H new ATOM 0 HG1 THR A 82 -10.300 14.203 1.821 1.00 0.33 H new ATOM 0 HG21 THR A 82 -12.134 12.867 1.060 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.825 11.130 0.830 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.887 11.813 2.472 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.866 8.943 0.898 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.784 7.893 -0.100 1.00 0.15 C ATOM 1274 C VAL A 83 -11.111 7.775 -0.834 1.00 0.16 C ATOM 1275 O VAL A 83 -12.162 7.852 -0.214 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.430 6.536 0.543 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.275 5.463 -0.516 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.169 6.643 1.389 1.00 0.19 C ATOM 0 H VAL A 83 -10.519 8.755 1.659 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.994 8.157 -0.803 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.252 6.252 1.200 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.025 4.515 -0.040 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.210 5.357 -1.067 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.478 5.744 -1.205 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.943 5.672 1.830 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.336 6.959 0.762 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.324 7.374 2.182 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.065 7.608 -2.143 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.282 7.489 -2.930 1.00 0.19 C ATOM 1290 C LYS A 84 -12.218 6.256 -3.825 1.00 0.19 C ATOM 1291 O LYS A 84 -11.208 5.553 -3.853 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.500 8.757 -3.758 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.305 9.147 -4.606 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.256 10.646 -4.848 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.051 11.041 -5.693 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.430 11.377 -7.089 1.00 1.14 N ATOM 0 H LYS A 84 -10.202 7.552 -2.684 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.129 7.372 -2.255 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.363 8.611 -4.408 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.742 9.581 -3.087 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.388 8.828 -4.112 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.350 8.625 -5.562 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.171 10.964 -5.348 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.217 11.168 -3.892 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.555 11.898 -5.237 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.331 10.223 -5.701 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.606 11.768 -7.588 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.755 10.518 -7.577 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -11.196 12.081 -7.081 1.00 1.14 H new ATOM 1310 N MET A 85 -13.296 5.989 -4.542 1.00 0.21 N ATOM 1311 CA MET A 85 -13.354 4.835 -5.423 1.00 0.22 C ATOM 1312 C MET A 85 -13.841 5.252 -6.800 1.00 0.28 C ATOM 1313 O MET A 85 -14.891 5.881 -6.925 1.00 0.41 O ATOM 1314 CB MET A 85 -14.290 3.778 -4.839 1.00 0.23 C ATOM 1315 CG MET A 85 -13.620 2.454 -4.538 1.00 0.21 C ATOM 1316 SD MET A 85 -14.795 1.226 -3.941 1.00 0.26 S ATOM 1317 CE MET A 85 -13.693 0.073 -3.138 1.00 0.25 C ATOM 0 H MET A 85 -14.144 6.556 -4.531 1.00 0.21 H new ATOM 0 HA MET A 85 -12.353 4.413 -5.515 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.731 4.166 -3.921 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.109 3.608 -5.538 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.132 2.081 -5.438 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.840 2.603 -3.791 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.265 -0.775 -2.762 1.00 0.25 H new ATOM 0 HE2 MET A 85 -12.950 -0.279 -3.854 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.190 0.568 -2.307 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.074 4.915 -7.826 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.433 5.262 -9.192 1.00 0.32 C ATOM 1329 C GLU A 86 -13.481 4.019 -10.068 1.00 0.29 C ATOM 1330 O GLU A 86 -12.446 3.464 -10.433 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.427 6.269 -9.754 1.00 0.48 C ATOM 1332 CG GLU A 86 -12.189 7.461 -8.836 1.00 1.22 C ATOM 1333 CD GLU A 86 -11.238 8.490 -9.410 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -11.031 8.504 -10.640 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -10.696 9.300 -8.631 1.00 2.46 O ATOM 0 H GLU A 86 -12.198 4.401 -7.738 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.425 5.714 -9.188 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.479 5.763 -9.933 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -12.784 6.628 -10.719 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -13.144 7.941 -8.623 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -11.793 7.103 -7.886 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.693 3.570 -10.374 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.873 2.401 -11.215 1.00 0.46 C ATOM 1344 C GLY A 87 -14.434 1.115 -10.541 1.00 0.38 C ATOM 1345 O GLY A 87 -13.897 0.220 -11.197 1.00 0.36 O ATOM 0 H GLY A 87 -15.561 3.999 -10.052 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.924 2.319 -11.494 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.308 2.533 -12.138 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.662 1.022 -9.233 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.278 -0.167 -8.489 1.00 0.33 C ATOM 1351 C GLY A 88 -12.795 -0.196 -8.176 1.00 0.27 C ATOM 1352 O GLY A 88 -12.232 -1.250 -7.886 1.00 0.32 O ATOM 0 H GLY A 88 -15.107 1.750 -8.674 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.844 -0.209 -7.559 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.543 -1.054 -9.064 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.169 0.971 -8.238 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.748 1.103 -7.964 1.00 0.19 C ATOM 1358 C LYS A 89 -10.546 2.094 -6.832 1.00 0.17 C ATOM 1359 O LYS A 89 -11.041 3.219 -6.894 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.996 1.584 -9.209 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.299 0.781 -10.467 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.451 1.248 -11.638 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.975 0.704 -12.959 1.00 1.06 C ATOM 1364 NZ LYS A 89 -9.954 -0.781 -13.006 1.00 1.76 N ATOM 0 H LYS A 89 -12.631 1.848 -8.479 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.354 0.127 -7.679 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.245 2.630 -9.390 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.925 1.541 -9.013 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.113 -0.277 -10.280 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.355 0.879 -10.718 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -9.442 2.337 -11.670 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -8.420 0.925 -11.494 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -10.995 1.056 -13.115 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.373 1.100 -13.777 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -10.021 -1.098 -13.994 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -9.067 -1.129 -12.590 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -10.760 -1.157 -12.466 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.845 1.672 -5.795 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.593 2.539 -4.658 1.00 0.16 C ATOM 1380 C ILE A 90 -8.447 3.489 -4.965 1.00 0.17 C ATOM 1381 O ILE A 90 -7.312 3.062 -5.165 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.267 1.747 -3.373 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.258 0.594 -3.179 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.303 2.677 -2.179 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.301 0.042 -1.764 1.00 0.20 C ATOM 0 H ILE A 90 -9.442 0.738 -5.716 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.510 3.101 -4.481 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.268 1.322 -3.467 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.256 0.937 -3.454 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -9.998 -0.213 -3.864 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.073 2.116 -1.274 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.566 3.469 -2.312 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.296 3.117 -2.090 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.026 -0.770 -1.712 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.315 -0.334 -1.490 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.592 0.833 -1.073 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.754 4.773 -5.021 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.759 5.787 -5.306 1.00 0.17 C ATOM 1399 C VAL A 91 -7.593 6.734 -4.117 1.00 0.16 C ATOM 1400 O VAL A 91 -8.568 7.271 -3.584 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.137 6.587 -6.578 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.563 7.092 -6.495 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.164 7.737 -6.814 1.00 0.25 C ATOM 0 H VAL A 91 -9.694 5.139 -4.871 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.809 5.283 -5.483 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.067 5.911 -7.431 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.804 7.650 -7.399 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.244 6.246 -6.398 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.668 7.743 -5.627 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.454 8.280 -7.713 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.185 8.413 -5.959 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.156 7.341 -6.939 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.357 6.912 -3.689 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.055 7.792 -2.576 1.00 0.19 C ATOM 1415 C ALA A 92 -5.400 9.072 -3.084 1.00 0.20 C ATOM 1416 O ALA A 92 -4.563 9.026 -3.989 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.154 7.086 -1.579 1.00 0.22 C ATOM 0 H ALA A 92 -5.542 6.456 -4.098 1.00 0.18 H new ATOM 0 HA ALA A 92 -6.984 8.057 -2.070 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.935 7.757 -0.748 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.656 6.195 -1.203 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.224 6.799 -2.069 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.789 10.205 -2.511 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.243 11.492 -2.926 1.00 0.26 C ATOM 1425 C ASP A 93 -4.119 11.941 -2.004 1.00 0.22 C ATOM 1426 O ASP A 93 -4.304 12.075 -0.794 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.344 12.548 -2.968 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.821 13.939 -3.264 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.588 14.247 -4.452 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.646 14.732 -2.313 1.00 1.19 O ATOM 0 H ASP A 93 -6.478 10.259 -1.761 1.00 0.22 H new ATOM 0 HA ASP A 93 -4.829 11.371 -3.927 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.075 12.272 -3.727 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.866 12.558 -2.011 1.00 0.37 H new ATOM 1435 N PHE A 94 -2.956 12.171 -2.598 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.770 12.600 -1.864 1.00 0.21 C ATOM 1437 C PHE A 94 -0.933 13.548 -2.718 1.00 0.24 C ATOM 1438 O PHE A 94 -1.080 13.575 -3.942 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.913 11.390 -1.484 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.494 10.557 -0.389 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.382 10.953 0.932 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.156 9.378 -0.682 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.924 10.187 1.942 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.701 8.611 0.324 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.586 9.017 1.638 1.00 0.25 C ATOM 0 H PHE A 94 -2.807 12.066 -3.602 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.098 13.114 -0.960 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.772 10.766 -2.366 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.074 11.738 -1.178 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.866 11.870 1.174 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.246 9.056 -1.709 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.830 10.503 2.970 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.218 7.693 0.085 1.00 1.14 H new ATOM 0 HZ PHE A 94 -3.015 8.418 2.428 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.068 14.363 -2.091 1.00 0.26 N ATOM 1456 CA PRO A 95 0.805 15.276 -2.821 1.00 0.29 C ATOM 1457 C PRO A 95 2.036 14.549 -3.355 1.00 0.26 C ATOM 1458 O PRO A 95 2.798 13.961 -2.583 1.00 0.27 O ATOM 1459 CB PRO A 95 1.196 16.310 -1.773 1.00 0.36 C ATOM 1460 CG PRO A 95 1.054 15.634 -0.445 1.00 0.32 C ATOM 1461 CD PRO A 95 0.116 14.464 -0.630 1.00 0.28 C ATOM 0 HA PRO A 95 0.321 15.716 -3.693 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.219 16.653 -1.928 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.553 17.188 -1.834 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.024 15.294 -0.082 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.660 16.327 0.298 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.539 13.547 -0.219 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.833 14.632 -0.121 1.00 0.28 H new ATOM 1469 N ASN A 96 2.211 14.577 -4.678 1.00 0.27 N ATOM 1470 CA ASN A 96 3.327 13.905 -5.337 1.00 0.29 C ATOM 1471 C ASN A 96 3.235 12.395 -5.133 1.00 0.28 C ATOM 1472 O ASN A 96 4.233 11.680 -5.239 1.00 0.37 O ATOM 1473 CB ASN A 96 4.666 14.433 -4.822 1.00 0.35 C ATOM 1474 CG ASN A 96 5.323 15.403 -5.786 1.00 0.77 C ATOM 1475 OD1 ASN A 96 4.918 16.562 -5.888 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.355 14.948 -6.485 1.00 1.50 N ATOM 0 H ASN A 96 1.584 15.065 -5.318 1.00 0.27 H new ATOM 0 HA ASN A 96 3.268 14.117 -6.404 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.512 14.928 -3.863 1.00 0.35 H new ATOM 0 HB3 ASN A 96 5.338 13.594 -4.643 1.00 0.35 H new ATOM 0 HD21 ASN A 96 6.843 15.565 -7.135 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.661 13.981 -6.373 1.00 1.50 H new ATOM 1483 N TYR A 97 2.029 11.922 -4.846 1.00 0.23 N ATOM 1484 CA TYR A 97 1.792 10.505 -4.620 1.00 0.21 C ATOM 1485 C TYR A 97 0.387 10.125 -5.075 1.00 0.21 C ATOM 1486 O TYR A 97 -0.598 10.756 -4.695 1.00 0.24 O ATOM 1487 CB TYR A 97 1.988 10.163 -3.136 1.00 0.22 C ATOM 1488 CG TYR A 97 2.300 8.703 -2.868 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.352 7.711 -3.085 1.00 1.14 C ATOM 1490 CD2 TYR A 97 3.543 8.325 -2.383 1.00 1.28 C ATOM 1491 CE1 TYR A 97 1.637 6.383 -2.831 1.00 1.14 C ATOM 1492 CE2 TYR A 97 3.836 6.999 -2.126 1.00 1.31 C ATOM 1493 CZ TYR A 97 2.881 6.033 -2.351 1.00 0.32 C ATOM 1494 OH TYR A 97 3.171 4.712 -2.098 1.00 0.38 O ATOM 0 H TYR A 97 1.196 12.505 -4.764 1.00 0.23 H new ATOM 0 HA TYR A 97 2.511 9.932 -5.205 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.798 10.774 -2.738 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.085 10.436 -2.590 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.376 7.982 -3.459 1.00 1.14 H new ATOM 0 HD2 TYR A 97 4.295 9.079 -2.203 1.00 1.28 H new ATOM 0 HE1 TYR A 97 0.890 5.624 -3.007 1.00 1.14 H new ATOM 0 HE2 TYR A 97 4.810 6.722 -1.750 1.00 1.31 H new ATOM 0 HH TYR A 97 4.090 4.637 -1.766 1.00 0.38 H new ATOM 1504 N HIS A 98 0.314 9.104 -5.907 1.00 0.21 N ATOM 1505 CA HIS A 98 -0.949 8.604 -6.423 1.00 0.22 C ATOM 1506 C HIS A 98 -1.027 7.111 -6.149 1.00 0.21 C ATOM 1507 O HIS A 98 -0.221 6.348 -6.671 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.057 8.877 -7.926 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.435 8.692 -8.478 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.394 9.681 -8.471 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.010 7.618 -9.066 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.497 9.223 -9.033 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.292 7.972 -9.400 1.00 1.09 N ATOM 0 H HIS A 98 1.130 8.595 -6.246 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.777 9.113 -5.929 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.731 9.898 -8.124 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.372 8.215 -8.456 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.545 6.659 -9.240 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.413 9.778 -9.170 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -4.975 7.368 -9.857 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.973 6.704 -5.321 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.119 5.298 -4.970 1.00 0.22 C ATOM 1524 C HIS A 99 -3.472 4.756 -5.418 1.00 0.21 C ATOM 1525 O HIS A 99 -4.514 5.188 -4.925 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.970 5.137 -3.452 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.745 3.725 -2.983 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -1.017 3.465 -1.849 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.200 2.551 -3.490 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -1.046 2.157 -1.690 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.747 1.558 -2.658 1.00 0.49 N ATOM 0 H HIS A 99 -2.651 7.324 -4.879 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.342 4.730 -5.482 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.136 5.753 -3.116 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.867 5.526 -2.970 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -2.802 2.423 -4.377 1.00 0.52 H new ATOM 0 HE1 HIS A 99 -0.563 1.634 -0.878 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.913 0.557 -2.759 1.00 0.49 H new ATOM 1539 N THR A 100 -3.451 3.840 -6.373 1.00 0.22 N ATOM 1540 CA THR A 100 -4.670 3.216 -6.853 1.00 0.22 C ATOM 1541 C THR A 100 -4.586 1.701 -6.712 1.00 0.23 C ATOM 1542 O THR A 100 -3.609 1.080 -7.142 1.00 0.31 O ATOM 1543 CB THR A 100 -4.953 3.574 -8.324 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.760 3.448 -9.108 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.477 4.988 -8.436 1.00 0.24 C ATOM 0 H THR A 100 -2.600 3.513 -6.831 1.00 0.22 H new ATOM 0 HA THR A 100 -5.488 3.597 -6.242 1.00 0.22 H new ATOM 0 HB THR A 100 -5.707 2.882 -8.700 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.956 3.677 -10.041 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.671 5.222 -9.483 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.402 5.080 -7.866 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.737 5.683 -8.040 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.604 1.114 -6.103 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.658 -0.322 -5.908 1.00 0.23 C ATOM 1555 C ALA A 101 -6.835 -0.906 -6.674 1.00 0.22 C ATOM 1556 O ALA A 101 -7.931 -0.339 -6.664 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.766 -0.650 -4.427 1.00 0.26 C ATOM 0 H ALA A 101 -6.410 1.618 -5.733 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.739 -0.766 -6.290 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.806 -1.731 -4.296 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -4.897 -0.252 -3.902 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.672 -0.202 -4.020 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.613 -2.029 -7.341 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.667 -2.668 -8.118 1.00 0.23 C ATOM 1565 C GLU A 102 -7.396 -4.154 -8.285 1.00 0.24 C ATOM 1566 O GLU A 102 -6.345 -4.653 -7.878 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.792 -2.018 -9.495 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.546 -2.179 -10.349 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.578 -1.322 -11.599 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -7.507 -1.489 -12.420 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -5.670 -0.491 -11.781 1.00 1.18 O ATOM 0 H GLU A 102 -5.717 -2.516 -7.361 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.602 -2.538 -7.573 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.643 -2.454 -10.019 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.004 -0.956 -9.370 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.669 -1.918 -9.757 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.439 -3.226 -10.634 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.343 -4.847 -8.902 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.225 -6.273 -9.131 1.00 0.29 C ATOM 1580 C ILE A 103 -8.084 -6.535 -10.623 1.00 0.31 C ATOM 1581 O ILE A 103 -9.023 -6.340 -11.398 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.452 -7.049 -8.594 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.778 -6.637 -7.150 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.212 -8.547 -8.681 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.781 -7.133 -6.123 1.00 0.37 C ATOM 0 H ILE A 103 -9.208 -4.436 -9.254 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.343 -6.623 -8.594 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.311 -6.797 -9.217 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.827 -5.549 -7.097 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.767 -7.014 -6.891 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.084 -9.078 -8.300 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.042 -8.828 -9.720 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.338 -8.811 -8.086 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.084 -6.799 -5.131 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.748 -8.222 -6.145 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.793 -6.735 -6.354 1.00 0.37 H new ATOM 1597 N SER A 104 -6.908 -6.971 -11.016 1.00 0.34 N ATOM 1598 CA SER A 104 -6.618 -7.261 -12.407 1.00 0.38 C ATOM 1599 C SER A 104 -6.183 -8.713 -12.549 1.00 0.48 C ATOM 1600 O SER A 104 -5.177 -9.126 -11.973 1.00 0.88 O ATOM 1601 CB SER A 104 -5.525 -6.321 -12.907 1.00 0.55 C ATOM 1602 OG SER A 104 -5.968 -4.975 -12.905 1.00 1.37 O ATOM 0 H SER A 104 -6.125 -7.135 -10.383 1.00 0.34 H new ATOM 0 HA SER A 104 -7.514 -7.107 -13.008 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.642 -6.417 -12.275 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.228 -6.608 -13.916 1.00 0.55 H new ATOM 0 HG SER A 104 -5.248 -4.393 -13.228 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.958 -9.490 -13.296 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.643 -10.895 -13.477 1.00 0.64 C ATOM 1610 C GLY A 105 -6.793 -11.668 -12.181 1.00 0.63 C ATOM 1611 O GLY A 105 -6.086 -12.649 -11.944 1.00 0.96 O ATOM 0 H GLY A 105 -7.798 -9.173 -13.779 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.300 -11.322 -14.235 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.622 -10.996 -13.846 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.720 -11.211 -11.345 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.956 -11.847 -10.061 1.00 0.50 C ATOM 1617 C GLY A 106 -6.838 -11.565 -9.076 1.00 0.44 C ATOM 1618 O GLY A 106 -6.684 -12.268 -8.077 1.00 0.48 O ATOM 0 H GLY A 106 -8.316 -10.406 -11.536 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.901 -11.493 -9.649 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.053 -12.924 -10.202 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.062 -10.528 -9.361 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.945 -10.144 -8.512 1.00 0.35 C ATOM 1624 C LYS A 107 -5.059 -8.690 -8.078 1.00 0.32 C ATOM 1625 O LYS A 107 -5.637 -7.864 -8.780 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.628 -10.348 -9.257 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.984 -11.705 -9.014 1.00 0.38 C ATOM 1628 CD LYS A 107 -1.948 -12.028 -10.075 1.00 0.66 C ATOM 1629 CE LYS A 107 -0.898 -12.981 -9.541 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.458 -14.316 -9.215 1.00 1.22 N ATOM 0 H LYS A 107 -6.188 -9.934 -10.181 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.967 -10.775 -7.623 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.804 -10.227 -10.326 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.929 -9.567 -8.959 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.514 -11.715 -8.031 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.753 -12.478 -9.008 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.437 -12.471 -10.943 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.470 -11.108 -10.413 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.104 -13.094 -10.280 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -0.444 -12.553 -8.648 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.767 -14.855 -8.656 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.333 -14.200 -8.665 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -1.667 -14.829 -10.095 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.495 -8.394 -6.921 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.499 -7.045 -6.376 1.00 0.28 C ATOM 1646 C LEU A 108 -3.263 -6.316 -6.871 1.00 0.27 C ATOM 1647 O LEU A 108 -2.136 -6.724 -6.590 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.530 -7.103 -4.833 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.634 -5.763 -4.078 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.258 -5.152 -3.868 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.550 -4.786 -4.801 1.00 0.76 C ATOM 0 H LEU A 108 -4.022 -9.079 -6.332 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.386 -6.506 -6.708 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.375 -7.724 -4.536 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.626 -7.611 -4.496 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.072 -5.969 -3.101 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.357 -4.207 -3.333 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.641 -5.836 -3.285 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.788 -4.974 -4.835 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.600 -3.852 -4.241 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.158 -4.590 -5.799 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.549 -5.215 -4.881 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.470 -5.267 -7.637 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.362 -4.492 -8.161 1.00 0.29 C ATOM 1665 C VAL A 109 -2.503 -3.031 -7.759 1.00 0.29 C ATOM 1666 O VAL A 109 -3.499 -2.376 -8.071 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.234 -4.635 -9.696 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.591 -4.501 -10.367 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.239 -3.625 -10.262 1.00 0.32 C ATOM 0 H VAL A 109 -4.393 -4.930 -7.912 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.444 -4.887 -7.726 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.850 -5.633 -9.909 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.475 -4.605 -11.446 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.258 -5.279 -9.997 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -4.014 -3.522 -10.140 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -1.170 -3.749 -11.343 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.577 -2.614 -10.034 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.259 -3.790 -9.814 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.516 -2.548 -7.028 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.506 -1.171 -6.575 1.00 0.30 C ATOM 1681 C GLU A 110 -0.457 -0.379 -7.333 1.00 0.28 C ATOM 1682 O GLU A 110 0.712 -0.771 -7.388 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.210 -1.085 -5.078 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.198 -1.833 -4.202 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.747 -1.894 -2.758 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -0.928 -2.777 -2.424 1.00 1.45 O ATOM 1687 OE2 GLU A 110 -2.179 -1.038 -1.961 1.00 1.69 O ATOM 0 H GLU A 110 -0.706 -3.094 -6.734 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.495 -0.753 -6.763 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.210 -1.477 -4.894 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.201 -0.036 -4.781 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.172 -1.346 -4.257 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.326 -2.846 -4.584 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.883 0.716 -7.930 1.00 0.26 N ATOM 1695 CA ILE A 111 0.016 1.581 -8.665 1.00 0.24 C ATOM 1696 C ILE A 111 0.264 2.842 -7.845 1.00 0.25 C ATOM 1697 O ILE A 111 -0.675 3.546 -7.474 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.537 1.940 -10.063 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.801 0.671 -10.880 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.440 2.835 -10.810 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -2.255 0.251 -10.915 1.00 0.37 C ATOM 0 H ILE A 111 -1.854 1.029 -7.920 1.00 0.26 H new ATOM 0 HA ILE A 111 0.954 1.050 -8.827 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.476 2.476 -9.927 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.455 0.831 -11.901 1.00 0.29 H new ATOM 0 HG13 ILE A 111 -0.208 -0.145 -10.466 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.034 3.077 -11.792 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.596 3.754 -10.245 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.391 2.316 -10.929 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -2.358 -0.655 -11.513 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.602 0.057 -9.900 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.853 1.048 -11.357 1.00 0.37 H new ATOM 1713 N SER A 112 1.527 3.099 -7.544 1.00 0.23 N ATOM 1714 CA SER A 112 1.913 4.245 -6.737 1.00 0.24 C ATOM 1715 C SER A 112 2.859 5.150 -7.508 1.00 0.22 C ATOM 1716 O SER A 112 3.998 4.779 -7.788 1.00 0.25 O ATOM 1717 CB SER A 112 2.590 3.772 -5.447 1.00 0.28 C ATOM 1718 OG SER A 112 2.252 2.425 -5.155 1.00 0.37 O ATOM 0 H SER A 112 2.310 2.522 -7.851 1.00 0.23 H new ATOM 0 HA SER A 112 1.014 4.809 -6.489 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.672 3.865 -5.545 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.289 4.413 -4.619 1.00 0.28 H new ATOM 0 HG SER A 112 1.366 2.393 -4.737 1.00 0.37 H new ATOM 1724 N THR A 113 2.385 6.326 -7.858 1.00 0.22 N ATOM 1725 CA THR A 113 3.193 7.273 -8.598 1.00 0.22 C ATOM 1726 C THR A 113 3.778 8.325 -7.667 1.00 0.23 C ATOM 1727 O THR A 113 3.090 8.819 -6.774 1.00 0.26 O ATOM 1728 CB THR A 113 2.368 7.968 -9.692 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.237 7.153 -10.039 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.221 8.217 -10.926 1.00 0.27 C ATOM 0 H THR A 113 1.442 6.650 -7.642 1.00 0.22 H new ATOM 0 HA THR A 113 4.003 6.714 -9.066 1.00 0.22 H new ATOM 0 HB THR A 113 2.020 8.928 -9.310 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.713 7.601 -10.736 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.620 8.710 -11.690 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.066 8.853 -10.662 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.590 7.266 -11.311 1.00 0.27 H new ATOM 1738 N SER A 114 5.050 8.637 -7.860 1.00 0.25 N ATOM 1739 CA SER A 114 5.725 9.637 -7.051 1.00 0.30 C ATOM 1740 C SER A 114 6.819 10.333 -7.846 1.00 0.29 C ATOM 1741 O SER A 114 7.809 9.710 -8.237 1.00 0.30 O ATOM 1742 CB SER A 114 6.315 9.000 -5.791 1.00 0.38 C ATOM 1743 OG SER A 114 5.289 8.519 -4.945 1.00 1.43 O ATOM 0 H SER A 114 5.638 8.208 -8.575 1.00 0.25 H new ATOM 0 HA SER A 114 4.987 10.383 -6.756 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.978 8.181 -6.068 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.920 9.733 -5.257 1.00 0.38 H new ATOM 0 HG SER A 114 5.553 7.653 -4.570 1.00 1.43 H new ATOM 1749 N SER A 115 6.605 11.615 -8.114 1.00 0.37 N ATOM 1750 CA SER A 115 7.559 12.435 -8.846 1.00 0.47 C ATOM 1751 C SER A 115 7.835 11.873 -10.240 1.00 0.47 C ATOM 1752 O SER A 115 8.941 11.995 -10.764 1.00 0.57 O ATOM 1753 CB SER A 115 8.858 12.565 -8.043 1.00 0.54 C ATOM 1754 OG SER A 115 8.587 12.990 -6.712 1.00 0.63 O ATOM 0 H SER A 115 5.763 12.115 -7.829 1.00 0.37 H new ATOM 0 HA SER A 115 7.123 13.425 -8.980 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.378 11.607 -8.025 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.522 13.279 -8.530 1.00 0.54 H new ATOM 0 HG SER A 115 9.428 13.066 -6.215 1.00 0.63 H new ATOM 1760 N GLY A 116 6.827 11.249 -10.834 1.00 0.42 N ATOM 1761 CA GLY A 116 6.985 10.700 -12.165 1.00 0.46 C ATOM 1762 C GLY A 116 7.227 9.205 -12.174 1.00 0.40 C ATOM 1763 O GLY A 116 6.875 8.525 -13.141 1.00 0.46 O ATOM 0 H GLY A 116 5.905 11.114 -10.419 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.091 10.919 -12.749 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.819 11.199 -12.659 1.00 0.46 H new ATOM 1767 N VAL A 117 7.830 8.681 -11.112 1.00 0.33 N ATOM 1768 CA VAL A 117 8.117 7.253 -11.036 1.00 0.29 C ATOM 1769 C VAL A 117 6.860 6.462 -10.691 1.00 0.28 C ATOM 1770 O VAL A 117 6.182 6.749 -9.704 1.00 0.29 O ATOM 1771 CB VAL A 117 9.219 6.941 -10.003 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.519 5.450 -9.959 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.477 7.721 -10.325 1.00 0.53 C ATOM 0 H VAL A 117 8.127 9.219 -10.298 1.00 0.33 H new ATOM 0 HA VAL A 117 8.475 6.952 -12.021 1.00 0.29 H new ATOM 0 HB VAL A 117 8.858 7.244 -9.020 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.299 5.257 -9.223 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.616 4.905 -9.682 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.856 5.118 -10.941 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.246 7.491 -9.588 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.832 7.445 -11.318 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.259 8.789 -10.301 1.00 0.53 H new ATOM 1783 N VAL A 118 6.547 5.480 -11.524 1.00 0.27 N ATOM 1784 CA VAL A 118 5.379 4.645 -11.318 1.00 0.27 C ATOM 1785 C VAL A 118 5.766 3.303 -10.711 1.00 0.25 C ATOM 1786 O VAL A 118 6.389 2.464 -11.367 1.00 0.29 O ATOM 1787 CB VAL A 118 4.620 4.397 -12.639 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.392 3.539 -12.398 1.00 0.97 C ATOM 1789 CG2 VAL A 118 4.228 5.712 -13.282 1.00 0.86 C ATOM 0 H VAL A 118 7.092 5.243 -12.353 1.00 0.27 H new ATOM 0 HA VAL A 118 4.726 5.181 -10.629 1.00 0.27 H new ATOM 0 HB VAL A 118 5.284 3.864 -13.319 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.871 3.376 -13.342 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.695 2.579 -11.980 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.726 4.045 -11.699 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.694 5.517 -14.212 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.583 6.271 -12.604 1.00 0.86 H new ATOM 0 HG23 VAL A 118 5.124 6.295 -13.494 1.00 0.86 H new ATOM 1799 N TYR A 119 5.415 3.122 -9.453 1.00 0.22 N ATOM 1800 CA TYR A 119 5.692 1.886 -8.746 1.00 0.21 C ATOM 1801 C TYR A 119 4.464 0.997 -8.787 1.00 0.22 C ATOM 1802 O TYR A 119 3.365 1.434 -8.460 1.00 0.29 O ATOM 1803 CB TYR A 119 6.081 2.178 -7.299 1.00 0.22 C ATOM 1804 CG TYR A 119 6.124 0.956 -6.407 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.005 -0.087 -6.661 1.00 1.21 C ATOM 1806 CD2 TYR A 119 5.276 0.846 -5.312 1.00 1.17 C ATOM 1807 CE1 TYR A 119 7.039 -1.206 -5.851 1.00 1.22 C ATOM 1808 CE2 TYR A 119 5.304 -0.269 -4.499 1.00 1.20 C ATOM 1809 CZ TYR A 119 6.185 -1.290 -4.771 1.00 0.34 C ATOM 1810 OH TYR A 119 6.204 -2.405 -3.964 1.00 0.43 O ATOM 0 H TYR A 119 4.931 3.824 -8.893 1.00 0.22 H new ATOM 0 HA TYR A 119 6.525 1.376 -9.230 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.060 2.656 -7.288 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.372 2.893 -6.882 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.675 -0.022 -7.506 1.00 1.21 H new ATOM 0 HD2 TYR A 119 4.584 1.646 -5.093 1.00 1.17 H new ATOM 0 HE1 TYR A 119 7.729 -2.009 -6.062 1.00 1.22 H new ATOM 0 HE2 TYR A 119 4.637 -0.340 -3.653 1.00 1.20 H new ATOM 0 HH TYR A 119 5.542 -2.303 -3.249 1.00 0.43 H new ATOM 1820 N LYS A 120 4.646 -0.239 -9.198 1.00 0.21 N ATOM 1821 CA LYS A 120 3.541 -1.166 -9.284 1.00 0.23 C ATOM 1822 C LYS A 120 3.821 -2.412 -8.467 1.00 0.24 C ATOM 1823 O LYS A 120 4.956 -2.869 -8.386 1.00 0.29 O ATOM 1824 CB LYS A 120 3.289 -1.528 -10.741 1.00 0.28 C ATOM 1825 CG LYS A 120 2.777 -0.362 -11.566 1.00 0.31 C ATOM 1826 CD LYS A 120 3.045 -0.569 -13.046 1.00 0.46 C ATOM 1827 CE LYS A 120 2.188 -1.684 -13.614 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.941 -2.514 -14.593 1.00 1.17 N ATOM 0 H LYS A 120 5.548 -0.624 -9.477 1.00 0.21 H new ATOM 0 HA LYS A 120 2.649 -0.690 -8.876 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.214 -1.898 -11.182 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.566 -2.342 -10.787 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.706 -0.241 -11.402 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.256 0.559 -11.233 1.00 0.31 H new ATOM 0 HD2 LYS A 120 2.845 0.356 -13.586 1.00 0.46 H new ATOM 0 HD3 LYS A 120 4.098 -0.805 -13.197 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.828 -2.316 -12.802 1.00 0.87 H new ATOM 0 HE3 LYS A 120 1.310 -1.257 -14.098 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.479 -3.441 -14.690 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 2.955 -2.035 -15.516 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 3.916 -2.647 -14.258 1.00 1.17 H new ATOM 1842 N ARG A 121 2.780 -2.946 -7.850 1.00 0.25 N ATOM 1843 CA ARG A 121 2.899 -4.147 -7.039 1.00 0.28 C ATOM 1844 C ARG A 121 1.716 -5.069 -7.288 1.00 0.28 C ATOM 1845 O ARG A 121 0.572 -4.622 -7.386 1.00 0.34 O ATOM 1846 CB ARG A 121 2.981 -3.778 -5.551 1.00 0.36 C ATOM 1847 CG ARG A 121 1.782 -2.985 -5.058 1.00 0.59 C ATOM 1848 CD ARG A 121 1.962 -2.512 -3.626 1.00 0.84 C ATOM 1849 NE ARG A 121 2.238 -1.074 -3.554 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.716 -0.260 -2.634 1.00 1.59 C ATOM 1851 NH1 ARG A 121 0.817 -0.718 -1.766 1.00 1.88 N ATOM 1852 NH2 ARG A 121 2.044 1.028 -2.621 1.00 2.48 N ATOM 0 H ARG A 121 1.836 -2.563 -7.896 1.00 0.25 H new ATOM 0 HA ARG A 121 3.814 -4.669 -7.320 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.070 -4.691 -4.962 1.00 0.36 H new ATOM 0 HB3 ARG A 121 3.887 -3.197 -5.378 1.00 0.36 H new ATOM 0 HG2 ARG A 121 1.625 -2.124 -5.707 1.00 0.59 H new ATOM 0 HG3 ARG A 121 0.886 -3.602 -5.126 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.062 -2.738 -3.054 1.00 0.84 H new ATOM 0 HD3 ARG A 121 2.781 -3.062 -3.163 1.00 0.84 H new ATOM 0 HE ARG A 121 2.867 -0.671 -4.249 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.524 -1.694 -1.802 1.00 1.88 H new ATOM 0 HH12 ARG A 121 0.421 -0.093 -1.065 1.00 1.88 H new ATOM 0 HH21 ARG A 121 2.695 1.395 -3.315 1.00 2.48 H new ATOM 0 HH22 ARG A 121 1.644 1.649 -1.917 1.00 2.48 H new ATOM 1866 N THR A 122 2.003 -6.346 -7.426 1.00 0.27 N ATOM 1867 CA THR A 122 0.992 -7.346 -7.659 1.00 0.27 C ATOM 1868 C THR A 122 0.949 -8.333 -6.499 1.00 0.25 C ATOM 1869 O THR A 122 1.962 -8.946 -6.157 1.00 0.29 O ATOM 1870 CB THR A 122 1.276 -8.102 -8.964 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.493 -7.165 -10.031 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.125 -9.027 -9.312 1.00 0.34 C ATOM 0 H THR A 122 2.952 -6.718 -7.379 1.00 0.27 H new ATOM 0 HA THR A 122 0.028 -6.845 -7.741 1.00 0.27 H new ATOM 0 HB THR A 122 2.172 -8.707 -8.826 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.676 -7.652 -10.862 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.348 -9.552 -10.241 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.015 -9.752 -8.510 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.787 -8.443 -9.436 1.00 0.34 H new ATOM 1880 N SER A 123 -0.214 -8.464 -5.890 1.00 0.24 N ATOM 1881 CA SER A 123 -0.395 -9.367 -4.771 1.00 0.23 C ATOM 1882 C SER A 123 -1.532 -10.344 -5.056 1.00 0.23 C ATOM 1883 O SER A 123 -2.558 -9.971 -5.630 1.00 0.25 O ATOM 1884 CB SER A 123 -0.685 -8.566 -3.502 1.00 0.25 C ATOM 1885 OG SER A 123 0.183 -7.448 -3.397 1.00 0.38 O ATOM 0 H SER A 123 -1.055 -7.951 -6.155 1.00 0.24 H new ATOM 0 HA SER A 123 0.521 -9.940 -4.626 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.721 -8.227 -3.510 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.566 -9.207 -2.628 1.00 0.25 H new ATOM 0 HG SER A 123 -0.023 -6.950 -2.578 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.340 -11.595 -4.669 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.349 -12.619 -4.888 1.00 0.25 C ATOM 1893 C LYS A 124 -3.331 -12.639 -3.725 1.00 0.22 C ATOM 1894 O LYS A 124 -2.988 -12.241 -2.611 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.696 -13.993 -5.053 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.865 -14.417 -3.856 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.063 -15.670 -4.152 1.00 0.43 C ATOM 1898 CE LYS A 124 1.157 -15.775 -3.254 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.255 -16.524 -3.912 1.00 1.45 N ATOM 0 H LYS A 124 -0.496 -11.926 -4.202 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.889 -12.384 -5.805 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.473 -14.737 -5.227 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -1.062 -13.981 -5.939 1.00 0.29 H new ATOM 0 HG2 LYS A 124 -0.189 -13.609 -3.576 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.519 -14.595 -3.002 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.694 -16.548 -4.014 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.252 -15.664 -5.196 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.504 -14.775 -2.991 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.883 -16.272 -2.323 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.115 -16.461 -3.331 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 1.980 -17.522 -4.017 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.441 -16.115 -4.850 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.541 -13.102 -3.989 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.565 -13.161 -2.961 1.00 0.23 C ATOM 1915 C LYS A 125 -5.662 -14.563 -2.385 1.00 0.25 C ATOM 1916 O LYS A 125 -6.041 -15.508 -3.078 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.928 -12.734 -3.518 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.828 -12.067 -2.481 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.230 -13.020 -1.363 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.611 -13.608 -1.597 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.656 -12.554 -1.689 1.00 1.45 N ATOM 0 H LYS A 125 -4.837 -13.442 -4.904 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.281 -12.469 -2.168 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.773 -12.046 -4.349 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.438 -13.610 -3.920 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.311 -11.208 -2.054 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.724 -11.688 -2.972 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.499 -13.825 -1.290 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.216 -12.490 -0.410 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.605 -14.194 -2.516 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -9.856 -14.292 -0.785 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.545 -12.910 -1.283 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.348 -11.712 -1.162 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.807 -12.301 -2.686 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.327 -14.683 -1.116 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.386 -15.957 -0.425 1.00 0.28 C ATOM 1937 C ILE A 126 -6.262 -15.828 0.813 1.00 0.30 C ATOM 1938 O ILE A 126 -6.458 -14.728 1.334 1.00 0.28 O ATOM 1939 CB ILE A 126 -3.983 -16.464 -0.006 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -2.874 -15.719 -0.758 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -3.867 -17.959 -0.259 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.340 -14.521 -0.015 1.00 0.27 C ATOM 0 H ILE A 126 -5.008 -13.906 -0.537 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.809 -16.683 -1.119 1.00 0.28 H new ATOM 0 HB ILE A 126 -3.861 -16.269 1.059 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.054 -16.409 -0.955 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.257 -15.395 -1.726 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -2.877 -18.303 0.040 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.624 -18.486 0.321 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.017 -18.161 -1.320 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.559 -14.044 -0.607 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.148 -13.811 0.159 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -1.926 -14.841 0.941 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.808 -16.942 1.261 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.663 -16.960 2.436 1.00 0.44 C ATOM 1956 C ALA A 127 -7.643 -18.343 3.066 1.00 0.67 C ATOM 1957 O ALA A 127 -8.403 -19.214 2.599 1.00 1.27 O ATOM 1958 CB ALA A 127 -9.087 -16.549 2.077 1.00 0.46 C ATOM 0 H ALA A 127 -6.674 -17.855 0.826 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.281 -16.239 3.159 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.708 -16.570 2.972 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.081 -15.541 1.663 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.491 -17.242 1.339 1.00 0.46 H new