USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 THR OG1 : rot 180:sc= 0.0629 USER MOD Set 1.2: A 85 THR OG1 : rot -96:sc= 0.13 USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= 0.133 F(o=-1.6!,f=0.21) USER MOD Set 2.2: A 23 THR OG1 : rot 15:sc= 0.0734 USER MOD Single : A 9 LYS NZ :NH3+ 171:sc= 0.178 (180deg=0.158) USER MOD Single : A 10 GLN : amide:sc= -0.0595 X(o=-0.059,f=-0.08) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.72 F(o=-2.7!,f=-1.7) USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= 1.11 (180deg=0.62) USER MOD Single : A 28 GLN : amide:sc= 0.15 X(o=0.15,f=0) USER MOD Single : A 32 ASN : amide:sc= -0.48 X(o=-0.48,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.044) USER MOD Single : A 36 SER OG : rot 180:sc= -0.209 USER MOD Single : A 42 GLN : amide:sc= -0.331 X(o=-0.33,f=-0.29) USER MOD Single : A 46 HIS :FLIP no HE2:sc= 0.244 F(o=-0.84,f=0.24) USER MOD Single : A 51 GLN : amide:sc= 0.0325 X(o=0.032,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 165:sc= 0.79 (180deg=0.634) USER MOD Single : A 53 GLN : amide:sc= -0.949 K(o=-0.95,f=-3.7!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.373) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00285 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.502 K(o=-0.5,f=-1.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -15:sc= 0.777 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.152 X(o=-0.15,f=-0.0015) USER MOD Single : A 88 THR OG1 : rot 157:sc= 0.189 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 33:sc= 0.413 USER MOD Single : A 100 THR OG1 : rot 25:sc= 0.552 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 109 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.012) USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 8.654 -14.389 -5.548 1.00 70.43 N ATOM 38 CA ASP A 3 9.495 -13.600 -4.632 1.00 64.31 C ATOM 39 C ASP A 3 8.609 -12.644 -3.806 1.00 4.33 C ATOM 40 O ASP A 3 7.453 -12.376 -4.167 1.00 53.34 O ATOM 41 CB ASP A 3 10.576 -12.803 -5.417 1.00 31.00 C ATOM 42 CG ASP A 3 10.020 -11.606 -6.208 1.00 35.12 C ATOM 43 OD1 ASP A 3 10.525 -10.474 -6.014 1.00 72.23 O ATOM 44 OD2 ASP A 3 9.091 -11.796 -7.033 1.00 43.32 O ATOM 0 HA ASP A 3 10.010 -14.282 -3.956 1.00 64.31 H new ATOM 0 HB2 ASP A 3 11.329 -12.444 -4.715 1.00 31.00 H new ATOM 0 HB3 ASP A 3 11.081 -13.479 -6.107 1.00 31.00 H new ATOM 49 N ILE A 4 9.172 -12.133 -2.706 1.00 72.32 N ATOM 50 CA ILE A 4 8.478 -11.214 -1.787 1.00 74.41 C ATOM 51 C ILE A 4 8.625 -9.743 -2.231 1.00 50.24 C ATOM 52 O ILE A 4 7.665 -8.976 -2.131 1.00 70.30 O ATOM 53 CB ILE A 4 9.018 -11.361 -0.315 1.00 0.32 C ATOM 54 CG1 ILE A 4 8.863 -12.828 0.198 1.00 51.55 C ATOM 55 CG2 ILE A 4 8.326 -10.357 0.641 1.00 0.33 C ATOM 56 CD1 ILE A 4 7.430 -13.343 0.260 1.00 43.43 C ATOM 0 H ILE A 4 10.129 -12.345 -2.423 1.00 72.32 H new ATOM 0 HA ILE A 4 7.423 -11.488 -1.814 1.00 74.41 H new ATOM 0 HB ILE A 4 10.082 -11.124 -0.328 1.00 0.32 H new ATOM 0 HG12 ILE A 4 9.441 -13.486 -0.450 1.00 51.55 H new ATOM 0 HG13 ILE A 4 9.301 -12.896 1.194 1.00 51.55 H new ATOM 0 HG21 ILE A 4 8.720 -10.484 1.649 1.00 0.33 H new ATOM 0 HG22 ILE A 4 8.518 -9.339 0.301 1.00 0.33 H new ATOM 0 HG23 ILE A 4 7.252 -10.541 0.646 1.00 0.33 H new ATOM 0 HD11 ILE A 4 7.428 -14.369 0.628 1.00 43.43 H new ATOM 0 HD12 ILE A 4 6.846 -12.715 0.933 1.00 43.43 H new ATOM 0 HD13 ILE A 4 6.989 -13.314 -0.737 1.00 43.43 H new ATOM 68 N VAL A 5 9.831 -9.368 -2.714 1.00 63.24 N ATOM 69 CA VAL A 5 10.194 -7.961 -3.021 1.00 35.52 C ATOM 70 C VAL A 5 9.210 -7.318 -4.020 1.00 2.03 C ATOM 71 O VAL A 5 8.636 -6.257 -3.744 1.00 51.01 O ATOM 72 CB VAL A 5 11.664 -7.872 -3.583 1.00 53.01 C ATOM 73 CG1 VAL A 5 12.055 -6.432 -3.986 1.00 14.33 C ATOM 74 CG2 VAL A 5 12.675 -8.441 -2.564 1.00 34.53 C ATOM 0 H VAL A 5 10.583 -10.031 -2.903 1.00 63.24 H new ATOM 0 HA VAL A 5 10.135 -7.405 -2.085 1.00 35.52 H new ATOM 0 HB VAL A 5 11.694 -8.479 -4.488 1.00 53.01 H new ATOM 0 HG11 VAL A 5 13.076 -6.425 -4.367 1.00 14.33 H new ATOM 0 HG12 VAL A 5 11.377 -6.074 -4.761 1.00 14.33 H new ATOM 0 HG13 VAL A 5 11.988 -5.780 -3.115 1.00 14.33 H new ATOM 0 HG21 VAL A 5 13.683 -8.370 -2.973 1.00 34.53 H new ATOM 0 HG22 VAL A 5 12.618 -7.870 -1.637 1.00 34.53 H new ATOM 0 HG23 VAL A 5 12.439 -9.486 -2.362 1.00 34.53 H new ATOM 84 N GLU A 6 9.009 -7.998 -5.156 1.00 23.44 N ATOM 85 CA GLU A 6 8.122 -7.531 -6.228 1.00 64.43 C ATOM 86 C GLU A 6 6.649 -7.554 -5.761 1.00 13.01 C ATOM 87 O GLU A 6 5.875 -6.663 -6.105 1.00 70.50 O ATOM 88 CB GLU A 6 8.328 -8.405 -7.491 1.00 15.45 C ATOM 89 CG GLU A 6 7.642 -7.890 -8.776 1.00 11.12 C ATOM 90 CD GLU A 6 8.107 -6.495 -9.248 1.00 71.21 C ATOM 91 OE1 GLU A 6 7.258 -5.585 -9.398 1.00 4.23 O ATOM 92 OE2 GLU A 6 9.317 -6.311 -9.500 1.00 35.12 O ATOM 0 H GLU A 6 9.459 -8.891 -5.358 1.00 23.44 H new ATOM 0 HA GLU A 6 8.370 -6.500 -6.478 1.00 64.43 H new ATOM 0 HB2 GLU A 6 9.398 -8.492 -7.681 1.00 15.45 H new ATOM 0 HB3 GLU A 6 7.959 -9.409 -7.281 1.00 15.45 H new ATOM 0 HG2 GLU A 6 7.820 -8.607 -9.578 1.00 11.12 H new ATOM 0 HG3 GLU A 6 6.565 -7.860 -8.609 1.00 11.12 H new ATOM 99 N ALA A 7 6.299 -8.564 -4.939 1.00 55.41 N ATOM 100 CA ALA A 7 4.957 -8.698 -4.348 1.00 72.52 C ATOM 101 C ALA A 7 4.632 -7.509 -3.421 1.00 15.21 C ATOM 102 O ALA A 7 3.536 -6.967 -3.464 1.00 13.04 O ATOM 103 CB ALA A 7 4.852 -10.024 -3.579 1.00 70.35 C ATOM 0 H ALA A 7 6.941 -9.309 -4.668 1.00 55.41 H new ATOM 0 HA ALA A 7 4.226 -8.697 -5.157 1.00 72.52 H new ATOM 0 HB1 ALA A 7 3.856 -10.115 -3.145 1.00 70.35 H new ATOM 0 HB2 ALA A 7 5.028 -10.855 -4.262 1.00 70.35 H new ATOM 0 HB3 ALA A 7 5.597 -10.044 -2.784 1.00 70.35 H new ATOM 109 N ALA A 8 5.628 -7.097 -2.620 1.00 73.41 N ATOM 110 CA ALA A 8 5.483 -6.028 -1.614 1.00 62.32 C ATOM 111 C ALA A 8 5.387 -4.654 -2.283 1.00 71.33 C ATOM 112 O ALA A 8 4.614 -3.792 -1.857 1.00 55.11 O ATOM 113 CB ALA A 8 6.666 -6.079 -0.643 1.00 14.51 C ATOM 0 H ALA A 8 6.565 -7.499 -2.651 1.00 73.41 H new ATOM 0 HA ALA A 8 4.558 -6.187 -1.059 1.00 62.32 H new ATOM 0 HB1 ALA A 8 6.560 -5.290 0.101 1.00 14.51 H new ATOM 0 HB2 ALA A 8 6.686 -7.048 -0.144 1.00 14.51 H new ATOM 0 HB3 ALA A 8 7.595 -5.936 -1.194 1.00 14.51 H new ATOM 119 N LYS A 9 6.198 -4.483 -3.332 1.00 53.13 N ATOM 120 CA LYS A 9 6.225 -3.282 -4.177 1.00 52.32 C ATOM 121 C LYS A 9 4.852 -3.036 -4.834 1.00 44.23 C ATOM 122 O LYS A 9 4.266 -1.958 -4.678 1.00 64.15 O ATOM 123 CB LYS A 9 7.322 -3.481 -5.253 1.00 44.53 C ATOM 124 CG LYS A 9 7.327 -2.455 -6.410 1.00 2.13 C ATOM 125 CD LYS A 9 8.224 -2.925 -7.573 1.00 65.31 C ATOM 126 CE LYS A 9 8.004 -2.141 -8.868 1.00 24.03 C ATOM 127 NZ LYS A 9 8.640 -2.825 -10.025 1.00 31.31 N ATOM 0 H LYS A 9 6.870 -5.192 -3.625 1.00 53.13 H new ATOM 0 HA LYS A 9 6.449 -2.405 -3.569 1.00 52.32 H new ATOM 0 HB2 LYS A 9 8.295 -3.451 -4.762 1.00 44.53 H new ATOM 0 HB3 LYS A 9 7.210 -4.478 -5.678 1.00 44.53 H new ATOM 0 HG2 LYS A 9 6.309 -2.306 -6.771 1.00 2.13 H new ATOM 0 HG3 LYS A 9 7.680 -1.491 -6.043 1.00 2.13 H new ATOM 0 HD2 LYS A 9 9.269 -2.834 -7.275 1.00 65.31 H new ATOM 0 HD3 LYS A 9 8.037 -3.982 -7.761 1.00 65.31 H new ATOM 0 HE2 LYS A 9 6.935 -2.029 -9.051 1.00 24.03 H new ATOM 0 HE3 LYS A 9 8.417 -1.138 -8.763 1.00 24.03 H new ATOM 0 HZ1 LYS A 9 8.349 -2.358 -10.907 1.00 31.31 H new ATOM 0 HZ2 LYS A 9 9.675 -2.775 -9.932 1.00 31.31 H new ATOM 0 HZ3 LYS A 9 8.342 -3.821 -10.046 1.00 31.31 H new ATOM 141 N GLN A 10 4.348 -4.069 -5.542 1.00 11.51 N ATOM 142 CA GLN A 10 3.058 -4.016 -6.252 1.00 75.52 C ATOM 143 C GLN A 10 1.895 -3.847 -5.266 1.00 72.34 C ATOM 144 O GLN A 10 0.904 -3.179 -5.577 1.00 4.43 O ATOM 145 CB GLN A 10 2.855 -5.291 -7.109 1.00 12.55 C ATOM 146 CG GLN A 10 3.872 -5.466 -8.253 1.00 60.22 C ATOM 147 CD GLN A 10 3.853 -4.322 -9.273 1.00 25.11 C ATOM 148 OE1 GLN A 10 4.584 -3.334 -9.145 1.00 62.15 O ATOM 149 NE2 GLN A 10 3.010 -4.446 -10.292 1.00 72.41 N ATOM 0 H GLN A 10 4.828 -4.964 -5.636 1.00 11.51 H new ATOM 0 HA GLN A 10 3.074 -3.150 -6.913 1.00 75.52 H new ATOM 0 HB2 GLN A 10 2.908 -6.163 -6.457 1.00 12.55 H new ATOM 0 HB3 GLN A 10 1.851 -5.271 -7.533 1.00 12.55 H new ATOM 0 HG2 GLN A 10 4.873 -5.546 -7.829 1.00 60.22 H new ATOM 0 HG3 GLN A 10 3.668 -6.404 -8.769 1.00 60.22 H new ATOM 0 HE21 GLN A 10 2.420 -5.275 -10.368 1.00 72.41 H new ATOM 0 HE22 GLN A 10 2.952 -3.712 -10.998 1.00 72.41 H new ATOM 158 N ALA A 11 2.051 -4.454 -4.072 1.00 52.23 N ATOM 159 CA ALA A 11 1.074 -4.356 -2.990 1.00 21.52 C ATOM 160 C ALA A 11 0.913 -2.911 -2.527 1.00 31.14 C ATOM 161 O ALA A 11 -0.205 -2.418 -2.457 1.00 50.51 O ATOM 162 CB ALA A 11 1.478 -5.246 -1.813 1.00 22.14 C ATOM 0 H ALA A 11 2.863 -5.025 -3.839 1.00 52.23 H new ATOM 0 HA ALA A 11 0.115 -4.702 -3.375 1.00 21.52 H new ATOM 0 HB1 ALA A 11 0.737 -5.158 -1.019 1.00 22.14 H new ATOM 0 HB2 ALA A 11 1.534 -6.283 -2.144 1.00 22.14 H new ATOM 0 HB3 ALA A 11 2.452 -4.932 -1.437 1.00 22.14 H new ATOM 168 N ALA A 12 2.055 -2.245 -2.264 1.00 70.42 N ATOM 169 CA ALA A 12 2.088 -0.866 -1.756 1.00 11.11 C ATOM 170 C ALA A 12 1.341 0.098 -2.693 1.00 3.30 C ATOM 171 O ALA A 12 0.431 0.809 -2.256 1.00 51.15 O ATOM 172 CB ALA A 12 3.539 -0.411 -1.556 1.00 71.13 C ATOM 0 H ALA A 12 2.980 -2.652 -2.399 1.00 70.42 H new ATOM 0 HA ALA A 12 1.577 -0.849 -0.793 1.00 11.11 H new ATOM 0 HB1 ALA A 12 3.551 0.612 -1.180 1.00 71.13 H new ATOM 0 HB2 ALA A 12 4.031 -1.068 -0.838 1.00 71.13 H new ATOM 0 HB3 ALA A 12 4.068 -0.453 -2.508 1.00 71.13 H new ATOM 178 N ILE A 13 1.706 0.047 -3.990 1.00 14.33 N ATOM 179 CA ILE A 13 1.148 0.925 -5.035 1.00 2.43 C ATOM 180 C ILE A 13 -0.372 0.665 -5.202 1.00 3.35 C ATOM 181 O ILE A 13 -1.165 1.610 -5.320 1.00 2.55 O ATOM 182 CB ILE A 13 1.898 0.717 -6.411 1.00 1.53 C ATOM 183 CG1 ILE A 13 3.449 0.848 -6.223 1.00 12.41 C ATOM 184 CG2 ILE A 13 1.394 1.716 -7.484 1.00 53.30 C ATOM 185 CD1 ILE A 13 4.281 0.507 -7.454 1.00 72.40 C ATOM 0 H ILE A 13 2.402 -0.610 -4.343 1.00 14.33 H new ATOM 0 HA ILE A 13 1.295 1.959 -4.724 1.00 2.43 H new ATOM 0 HB ILE A 13 1.675 -0.291 -6.761 1.00 1.53 H new ATOM 0 HG12 ILE A 13 3.678 1.870 -5.921 1.00 12.41 H new ATOM 0 HG13 ILE A 13 3.756 0.197 -5.404 1.00 12.41 H new ATOM 0 HG21 ILE A 13 1.929 1.547 -8.418 1.00 53.30 H new ATOM 0 HG22 ILE A 13 0.326 1.568 -7.646 1.00 53.30 H new ATOM 0 HG23 ILE A 13 1.572 2.736 -7.143 1.00 53.30 H new ATOM 0 HD11 ILE A 13 5.339 0.628 -7.223 1.00 72.40 H new ATOM 0 HD12 ILE A 13 4.090 -0.525 -7.748 1.00 72.40 H new ATOM 0 HD13 ILE A 13 4.010 1.174 -8.273 1.00 72.40 H new ATOM 197 N ALA A 14 -0.762 -0.630 -5.148 1.00 22.31 N ATOM 198 CA ALA A 14 -2.165 -1.062 -5.302 1.00 60.23 C ATOM 199 C ALA A 14 -3.032 -0.571 -4.134 1.00 55.52 C ATOM 200 O ALA A 14 -4.150 -0.112 -4.354 1.00 21.44 O ATOM 201 CB ALA A 14 -2.257 -2.578 -5.435 1.00 63.02 C ATOM 0 H ALA A 14 -0.112 -1.401 -4.997 1.00 22.31 H new ATOM 0 HA ALA A 14 -2.548 -0.612 -6.218 1.00 60.23 H new ATOM 0 HB1 ALA A 14 -3.301 -2.871 -5.547 1.00 63.02 H new ATOM 0 HB2 ALA A 14 -1.693 -2.901 -6.310 1.00 63.02 H new ATOM 0 HB3 ALA A 14 -1.842 -3.047 -4.543 1.00 63.02 H new ATOM 207 N ILE A 15 -2.475 -0.640 -2.910 1.00 72.24 N ATOM 208 CA ILE A 15 -3.135 -0.167 -1.673 1.00 13.12 C ATOM 209 C ILE A 15 -3.537 1.322 -1.814 1.00 54.23 C ATOM 210 O ILE A 15 -4.635 1.710 -1.419 1.00 61.33 O ATOM 211 CB ILE A 15 -2.193 -0.409 -0.415 1.00 14.34 C ATOM 212 CG1 ILE A 15 -2.137 -1.935 -0.063 1.00 43.01 C ATOM 213 CG2 ILE A 15 -2.602 0.425 0.820 1.00 52.41 C ATOM 214 CD1 ILE A 15 -1.160 -2.316 1.046 1.00 53.11 C ATOM 0 H ILE A 15 -1.546 -1.029 -2.748 1.00 72.24 H new ATOM 0 HA ILE A 15 -4.048 -0.741 -1.514 1.00 13.12 H new ATOM 0 HB ILE A 15 -1.197 -0.067 -0.697 1.00 14.34 H new ATOM 0 HG12 ILE A 15 -3.136 -2.260 0.228 1.00 43.01 H new ATOM 0 HG13 ILE A 15 -1.872 -2.489 -0.964 1.00 43.01 H new ATOM 0 HG21 ILE A 15 -1.920 0.214 1.644 1.00 52.41 H new ATOM 0 HG22 ILE A 15 -2.557 1.486 0.574 1.00 52.41 H new ATOM 0 HG23 ILE A 15 -3.618 0.164 1.115 1.00 52.41 H new ATOM 0 HD11 ILE A 15 -1.199 -3.393 1.211 1.00 53.11 H new ATOM 0 HD12 ILE A 15 -0.149 -2.030 0.755 1.00 53.11 H new ATOM 0 HD13 ILE A 15 -1.433 -1.798 1.965 1.00 53.11 H new ATOM 226 N PHE A 16 -2.656 2.114 -2.450 1.00 52.23 N ATOM 227 CA PHE A 16 -2.887 3.554 -2.690 1.00 34.21 C ATOM 228 C PHE A 16 -3.977 3.788 -3.752 1.00 31.14 C ATOM 229 O PHE A 16 -4.708 4.781 -3.688 1.00 33.53 O ATOM 230 CB PHE A 16 -1.576 4.248 -3.118 1.00 4.35 C ATOM 231 CG PHE A 16 -0.428 4.070 -2.135 1.00 10.23 C ATOM 232 CD1 PHE A 16 -0.653 4.108 -0.760 1.00 50.11 C ATOM 233 CD2 PHE A 16 0.873 3.879 -2.585 1.00 53.54 C ATOM 234 CE1 PHE A 16 0.384 3.958 0.126 1.00 13.43 C ATOM 235 CE2 PHE A 16 1.906 3.726 -1.699 1.00 14.33 C ATOM 236 CZ PHE A 16 1.661 3.768 -0.346 1.00 44.31 C ATOM 0 H PHE A 16 -1.764 1.777 -2.813 1.00 52.23 H new ATOM 0 HA PHE A 16 -3.234 3.988 -1.752 1.00 34.21 H new ATOM 0 HB2 PHE A 16 -1.272 3.858 -4.089 1.00 4.35 H new ATOM 0 HB3 PHE A 16 -1.767 5.313 -3.248 1.00 4.35 H new ATOM 0 HD1 PHE A 16 -1.656 4.257 -0.387 1.00 50.11 H new ATOM 0 HD2 PHE A 16 1.072 3.851 -3.646 1.00 53.54 H new ATOM 0 HE1 PHE A 16 0.198 3.989 1.189 1.00 13.43 H new ATOM 0 HE2 PHE A 16 2.912 3.573 -2.062 1.00 14.33 H new ATOM 0 HZ PHE A 16 2.478 3.651 0.351 1.00 44.31 H new ATOM 246 N GLN A 17 -4.057 2.864 -4.733 1.00 31.11 N ATOM 247 CA GLN A 17 -5.098 2.890 -5.785 1.00 52.11 C ATOM 248 C GLN A 17 -6.493 2.722 -5.166 1.00 41.13 C ATOM 249 O GLN A 17 -7.440 3.375 -5.603 1.00 5.25 O ATOM 250 CB GLN A 17 -4.836 1.796 -6.846 1.00 72.24 C ATOM 251 CG GLN A 17 -3.467 1.919 -7.542 1.00 5.11 C ATOM 252 CD GLN A 17 -3.133 0.746 -8.461 1.00 72.14 C ATOM 253 OE1 GLN A 17 -1.868 0.381 -8.515 1.00 22.43 O flip ATOM 254 NE2 GLN A 17 -4.006 0.162 -9.096 1.00 55.22 N flip ATOM 0 H GLN A 17 -3.406 2.083 -4.819 1.00 31.11 H new ATOM 0 HA GLN A 17 -5.056 3.859 -6.282 1.00 52.11 H new ATOM 0 HB2 GLN A 17 -4.904 0.818 -6.370 1.00 72.24 H new ATOM 0 HB3 GLN A 17 -5.622 1.839 -7.600 1.00 72.24 H new ATOM 0 HG2 GLN A 17 -3.448 2.841 -8.124 1.00 5.11 H new ATOM 0 HG3 GLN A 17 -2.690 2.005 -6.782 1.00 5.11 H new ATOM 0 HE21 GLN A 17 -4.976 0.470 -9.032 1.00 55.22 H new ATOM 0 HE22 GLN A 17 -3.761 -0.632 -9.688 1.00 55.22 H new ATOM 263 N LEU A 18 -6.597 1.851 -4.130 1.00 75.22 N ATOM 264 CA LEU A 18 -7.827 1.742 -3.320 1.00 12.11 C ATOM 265 C LEU A 18 -8.048 3.037 -2.527 1.00 53.44 C ATOM 266 O LEU A 18 -9.134 3.594 -2.554 1.00 12.21 O ATOM 267 CB LEU A 18 -7.813 0.530 -2.336 1.00 51.45 C ATOM 268 CG LEU A 18 -8.041 -0.903 -2.933 1.00 25.33 C ATOM 269 CD1 LEU A 18 -9.278 -0.957 -3.850 1.00 45.53 C ATOM 270 CD2 LEU A 18 -6.797 -1.438 -3.645 1.00 33.13 C ATOM 0 H LEU A 18 -5.848 1.221 -3.841 1.00 75.22 H new ATOM 0 HA LEU A 18 -8.645 1.576 -4.021 1.00 12.11 H new ATOM 0 HB2 LEU A 18 -6.852 0.529 -1.821 1.00 51.45 H new ATOM 0 HB3 LEU A 18 -8.580 0.704 -1.581 1.00 51.45 H new ATOM 0 HG LEU A 18 -8.235 -1.561 -2.086 1.00 25.33 H new ATOM 0 HD11 LEU A 18 -9.397 -1.967 -4.241 1.00 45.53 H new ATOM 0 HD12 LEU A 18 -10.165 -0.681 -3.280 1.00 45.53 H new ATOM 0 HD13 LEU A 18 -9.148 -0.261 -4.678 1.00 45.53 H new ATOM 0 HD21 LEU A 18 -7.004 -2.432 -4.041 1.00 33.13 H new ATOM 0 HD22 LEU A 18 -6.530 -0.769 -4.464 1.00 33.13 H new ATOM 0 HD23 LEU A 18 -5.969 -1.494 -2.938 1.00 33.13 H new ATOM 282 N TRP A 19 -6.991 3.511 -1.841 1.00 55.13 N ATOM 283 CA TRP A 19 -7.052 4.678 -0.925 1.00 33.25 C ATOM 284 C TRP A 19 -7.693 5.934 -1.567 1.00 1.40 C ATOM 285 O TRP A 19 -8.369 6.712 -0.882 1.00 41.21 O ATOM 286 CB TRP A 19 -5.645 5.001 -0.380 1.00 3.33 C ATOM 287 CG TRP A 19 -5.150 4.128 0.744 1.00 21.25 C ATOM 288 CD1 TRP A 19 -5.696 2.974 1.237 1.00 31.43 C ATOM 289 CD2 TRP A 19 -3.994 4.398 1.539 1.00 2.11 C ATOM 290 NE1 TRP A 19 -4.935 2.507 2.279 1.00 43.35 N ATOM 291 CE2 TRP A 19 -3.884 3.370 2.484 1.00 65.13 C ATOM 292 CE3 TRP A 19 -3.042 5.424 1.531 1.00 74.05 C ATOM 293 CZ2 TRP A 19 -2.856 3.335 3.418 1.00 0.15 C ATOM 294 CZ3 TRP A 19 -2.023 5.389 2.456 1.00 15.11 C ATOM 295 CH2 TRP A 19 -1.934 4.349 3.386 1.00 4.51 C ATOM 0 H TRP A 19 -6.062 3.096 -1.904 1.00 55.13 H new ATOM 0 HA TRP A 19 -7.707 4.394 -0.101 1.00 33.25 H new ATOM 0 HB2 TRP A 19 -4.935 4.934 -1.204 1.00 3.33 H new ATOM 0 HB3 TRP A 19 -5.639 6.036 -0.038 1.00 3.33 H new ATOM 0 HD1 TRP A 19 -6.592 2.502 0.862 1.00 31.43 H new ATOM 0 HE1 TRP A 19 -5.119 1.658 2.814 1.00 43.35 H new ATOM 0 HE3 TRP A 19 -3.106 6.228 0.813 1.00 74.05 H new ATOM 0 HZ2 TRP A 19 -2.786 2.538 4.143 1.00 0.15 H new ATOM 0 HZ3 TRP A 19 -1.283 6.175 2.463 1.00 15.11 H new ATOM 0 HH2 TRP A 19 -1.120 4.344 4.096 1.00 4.51 H new ATOM 306 N LYS A 20 -7.466 6.122 -2.877 1.00 54.23 N ATOM 307 CA LYS A 20 -8.075 7.228 -3.641 1.00 0.40 C ATOM 308 C LYS A 20 -9.364 6.781 -4.362 1.00 64.45 C ATOM 309 O LYS A 20 -10.294 7.579 -4.521 1.00 51.24 O ATOM 310 CB LYS A 20 -7.056 7.806 -4.651 1.00 11.04 C ATOM 311 CG LYS A 20 -6.456 6.780 -5.639 1.00 53.31 C ATOM 312 CD LYS A 20 -5.498 7.434 -6.652 1.00 22.44 C ATOM 313 CE LYS A 20 -4.308 8.147 -5.992 1.00 22.41 C ATOM 314 NZ LYS A 20 -3.504 8.914 -6.983 1.00 11.41 N ATOM 0 H LYS A 20 -6.861 5.519 -3.434 1.00 54.23 H new ATOM 0 HA LYS A 20 -8.352 8.009 -2.933 1.00 0.40 H new ATOM 0 HB2 LYS A 20 -7.543 8.596 -5.223 1.00 11.04 H new ATOM 0 HB3 LYS A 20 -6.242 8.271 -4.096 1.00 11.04 H new ATOM 0 HG2 LYS A 20 -5.921 6.011 -5.081 1.00 53.31 H new ATOM 0 HG3 LYS A 20 -7.263 6.281 -6.176 1.00 53.31 H new ATOM 0 HD2 LYS A 20 -5.123 6.669 -7.332 1.00 22.44 H new ATOM 0 HD3 LYS A 20 -6.053 8.152 -7.255 1.00 22.44 H new ATOM 0 HE2 LYS A 20 -4.673 8.823 -5.219 1.00 22.41 H new ATOM 0 HE3 LYS A 20 -3.672 7.412 -5.499 1.00 22.41 H new ATOM 0 HZ1 LYS A 20 -2.991 9.677 -6.497 1.00 11.41 H new ATOM 0 HZ2 LYS A 20 -2.823 8.278 -7.445 1.00 11.41 H new ATOM 0 HZ3 LYS A 20 -4.136 9.324 -7.700 1.00 11.41 H new ATOM 328 N ASN A 21 -9.410 5.505 -4.781 1.00 22.45 N ATOM 329 CA ASN A 21 -10.545 4.935 -5.536 1.00 13.33 C ATOM 330 C ASN A 21 -10.755 3.470 -5.097 1.00 42.13 C ATOM 331 O ASN A 21 -10.174 2.548 -5.693 1.00 13.52 O ATOM 332 CB ASN A 21 -10.293 5.046 -7.070 1.00 52.34 C ATOM 333 CG ASN A 21 -11.464 4.520 -7.914 1.00 62.25 C ATOM 334 OD1 ASN A 21 -11.446 3.242 -8.229 1.00 74.15 O flip ATOM 335 ND2 ASN A 21 -12.385 5.256 -8.263 1.00 34.42 N flip ATOM 0 H ASN A 21 -8.660 4.836 -4.606 1.00 22.45 H new ATOM 0 HA ASN A 21 -11.453 5.498 -5.320 1.00 13.33 H new ATOM 0 HB2 ASN A 21 -10.108 6.089 -7.327 1.00 52.34 H new ATOM 0 HB3 ASN A 21 -9.391 4.490 -7.325 1.00 52.34 H new ATOM 0 HD21 ASN A 21 -12.375 6.243 -8.006 1.00 34.42 H new ATOM 0 HD22 ASN A 21 -13.159 4.880 -8.810 1.00 34.42 H new ATOM 342 N PRO A 22 -11.557 3.225 -4.004 1.00 2.12 N ATOM 343 CA PRO A 22 -11.778 1.856 -3.448 1.00 2.44 C ATOM 344 C PRO A 22 -12.494 0.918 -4.429 1.00 53.33 C ATOM 345 O PRO A 22 -12.480 -0.306 -4.253 1.00 4.34 O ATOM 346 CB PRO A 22 -12.632 2.112 -2.176 1.00 20.11 C ATOM 347 CG PRO A 22 -13.292 3.438 -2.417 1.00 12.41 C ATOM 348 CD PRO A 22 -12.287 4.255 -3.202 1.00 74.23 C ATOM 0 HA PRO A 22 -10.837 1.347 -3.239 1.00 2.44 H new ATOM 0 HB2 PRO A 22 -13.370 1.324 -2.030 1.00 20.11 H new ATOM 0 HB3 PRO A 22 -12.011 2.136 -1.281 1.00 20.11 H new ATOM 0 HG2 PRO A 22 -14.221 3.318 -2.974 1.00 12.41 H new ATOM 0 HG3 PRO A 22 -13.546 3.927 -1.476 1.00 12.41 H new ATOM 0 HD2 PRO A 22 -12.777 4.989 -3.841 1.00 74.23 H new ATOM 0 HD3 PRO A 22 -11.613 4.804 -2.544 1.00 74.23 H new ATOM 356 N THR A 23 -13.098 1.508 -5.467 1.00 33.00 N ATOM 357 CA THR A 23 -13.892 0.803 -6.470 1.00 45.23 C ATOM 358 C THR A 23 -13.035 0.315 -7.658 1.00 35.43 C ATOM 359 O THR A 23 -13.588 -0.081 -8.689 1.00 62.31 O ATOM 360 CB THR A 23 -15.040 1.744 -6.960 1.00 2.22 C ATOM 361 OG1 THR A 23 -14.484 2.965 -7.474 1.00 54.54 O ATOM 362 CG2 THR A 23 -16.020 2.086 -5.820 1.00 23.21 C ATOM 0 H THR A 23 -13.045 2.513 -5.633 1.00 33.00 H new ATOM 0 HA THR A 23 -14.315 -0.090 -6.010 1.00 45.23 H new ATOM 0 HB THR A 23 -15.586 1.216 -7.742 1.00 2.22 H new ATOM 0 HG1 THR A 23 -13.523 2.848 -7.628 1.00 54.54 H new ATOM 0 HG21 THR A 23 -16.804 2.742 -6.199 1.00 23.21 H new ATOM 0 HG22 THR A 23 -16.467 1.169 -5.437 1.00 23.21 H new ATOM 0 HG23 THR A 23 -15.482 2.590 -5.017 1.00 23.21 H new ATOM 370 N ASP A 24 -11.686 0.334 -7.514 1.00 43.24 N ATOM 371 CA ASP A 24 -10.778 -0.198 -8.551 1.00 34.02 C ATOM 372 C ASP A 24 -10.649 -1.727 -8.380 1.00 52.43 C ATOM 373 O ASP A 24 -10.048 -2.183 -7.399 1.00 74.52 O ATOM 374 CB ASP A 24 -9.369 0.456 -8.507 1.00 72.24 C ATOM 375 CG ASP A 24 -8.535 0.090 -9.755 1.00 62.22 C ATOM 376 OD1 ASP A 24 -8.656 0.791 -10.784 1.00 1.02 O ATOM 377 OD2 ASP A 24 -7.785 -0.905 -9.731 1.00 73.32 O ATOM 0 H ASP A 24 -11.209 0.710 -6.694 1.00 43.24 H new ATOM 0 HA ASP A 24 -11.212 0.044 -9.521 1.00 34.02 H new ATOM 0 HB2 ASP A 24 -9.472 1.539 -8.442 1.00 72.24 H new ATOM 0 HB3 ASP A 24 -8.844 0.131 -7.609 1.00 72.24 H new ATOM 382 N PRO A 25 -11.204 -2.540 -9.331 1.00 14.05 N ATOM 383 CA PRO A 25 -11.230 -4.015 -9.199 1.00 21.14 C ATOM 384 C PRO A 25 -9.856 -4.683 -9.439 1.00 11.44 C ATOM 385 O PRO A 25 -9.632 -5.796 -8.965 1.00 53.23 O ATOM 386 CB PRO A 25 -12.274 -4.437 -10.258 1.00 43.43 C ATOM 387 CG PRO A 25 -12.212 -3.373 -11.315 1.00 34.31 C ATOM 388 CD PRO A 25 -11.849 -2.085 -10.601 1.00 4.02 C ATOM 0 HA PRO A 25 -11.481 -4.332 -8.187 1.00 21.14 H new ATOM 0 HB2 PRO A 25 -12.041 -5.418 -10.672 1.00 43.43 H new ATOM 0 HB3 PRO A 25 -13.271 -4.503 -9.824 1.00 43.43 H new ATOM 0 HG2 PRO A 25 -11.469 -3.620 -12.073 1.00 34.31 H new ATOM 0 HG3 PRO A 25 -13.169 -3.277 -11.827 1.00 34.31 H new ATOM 0 HD2 PRO A 25 -11.169 -1.477 -11.198 1.00 4.02 H new ATOM 0 HD3 PRO A 25 -12.731 -1.476 -10.404 1.00 4.02 H new ATOM 396 N GLU A 26 -8.945 -3.984 -10.150 1.00 43.42 N ATOM 397 CA GLU A 26 -7.637 -4.544 -10.576 1.00 63.43 C ATOM 398 C GLU A 26 -6.606 -4.500 -9.432 1.00 3.02 C ATOM 399 O GLU A 26 -5.822 -5.441 -9.252 1.00 22.13 O ATOM 400 CB GLU A 26 -7.097 -3.755 -11.798 1.00 31.34 C ATOM 401 CG GLU A 26 -7.999 -3.807 -13.046 1.00 1.55 C ATOM 402 CD GLU A 26 -7.475 -2.928 -14.191 1.00 10.31 C ATOM 403 OE1 GLU A 26 -7.868 -1.747 -14.276 1.00 55.44 O ATOM 404 OE2 GLU A 26 -6.650 -3.403 -14.997 1.00 50.44 O ATOM 0 H GLU A 26 -9.091 -3.019 -10.446 1.00 43.42 H new ATOM 0 HA GLU A 26 -7.793 -5.587 -10.852 1.00 63.43 H new ATOM 0 HB2 GLU A 26 -6.959 -2.713 -11.509 1.00 31.34 H new ATOM 0 HB3 GLU A 26 -6.114 -4.146 -12.060 1.00 31.34 H new ATOM 0 HG2 GLU A 26 -8.077 -4.838 -13.391 1.00 1.55 H new ATOM 0 HG3 GLU A 26 -9.005 -3.485 -12.776 1.00 1.55 H new ATOM 411 N ALA A 27 -6.622 -3.403 -8.668 1.00 4.14 N ATOM 412 CA ALA A 27 -5.670 -3.163 -7.575 1.00 52.13 C ATOM 413 C ALA A 27 -5.875 -4.178 -6.443 1.00 73.03 C ATOM 414 O ALA A 27 -4.931 -4.840 -5.999 1.00 14.14 O ATOM 415 CB ALA A 27 -5.827 -1.731 -7.059 1.00 21.11 C ATOM 0 H ALA A 27 -7.300 -2.651 -8.790 1.00 4.14 H new ATOM 0 HA ALA A 27 -4.656 -3.290 -7.955 1.00 52.13 H new ATOM 0 HB1 ALA A 27 -5.119 -1.557 -6.248 1.00 21.11 H new ATOM 0 HB2 ALA A 27 -5.631 -1.029 -7.869 1.00 21.11 H new ATOM 0 HB3 ALA A 27 -6.843 -1.586 -6.691 1.00 21.11 H new ATOM 421 N GLN A 28 -7.141 -4.317 -6.015 1.00 42.41 N ATOM 422 CA GLN A 28 -7.540 -5.269 -4.963 1.00 42.15 C ATOM 423 C GLN A 28 -7.497 -6.731 -5.474 1.00 12.54 C ATOM 424 O GLN A 28 -7.444 -7.665 -4.671 1.00 30.04 O ATOM 425 CB GLN A 28 -8.931 -4.893 -4.394 1.00 3.41 C ATOM 426 CG GLN A 28 -10.070 -4.910 -5.426 1.00 5.32 C ATOM 427 CD GLN A 28 -11.394 -4.361 -4.882 1.00 23.43 C ATOM 428 OE1 GLN A 28 -12.206 -5.095 -4.319 1.00 42.33 O ATOM 429 NE2 GLN A 28 -11.628 -3.071 -5.058 1.00 3.41 N ATOM 0 H GLN A 28 -7.918 -3.772 -6.389 1.00 42.41 H new ATOM 0 HA GLN A 28 -6.818 -5.203 -4.149 1.00 42.15 H new ATOM 0 HB2 GLN A 28 -9.178 -5.584 -3.588 1.00 3.41 H new ATOM 0 HB3 GLN A 28 -8.872 -3.898 -3.954 1.00 3.41 H new ATOM 0 HG2 GLN A 28 -9.772 -4.323 -6.295 1.00 5.32 H new ATOM 0 HG3 GLN A 28 -10.223 -5.933 -5.770 1.00 5.32 H new ATOM 0 HE21 GLN A 28 -10.937 -2.487 -5.528 1.00 3.41 H new ATOM 0 HE22 GLN A 28 -12.500 -2.661 -4.723 1.00 3.41 H new ATOM 438 N GLU A 29 -7.523 -6.914 -6.815 1.00 74.31 N ATOM 439 CA GLU A 29 -7.358 -8.241 -7.455 1.00 31.13 C ATOM 440 C GLU A 29 -5.959 -8.801 -7.181 1.00 55.02 C ATOM 441 O GLU A 29 -5.823 -9.909 -6.655 1.00 64.24 O ATOM 442 CB GLU A 29 -7.595 -8.159 -8.986 1.00 42.24 C ATOM 443 CG GLU A 29 -7.370 -9.478 -9.754 1.00 71.33 C ATOM 444 CD GLU A 29 -7.576 -9.340 -11.269 1.00 44.13 C ATOM 445 OE1 GLU A 29 -6.629 -8.922 -11.977 1.00 45.31 O ATOM 446 OE2 GLU A 29 -8.679 -9.653 -11.766 1.00 73.11 O ATOM 0 H GLU A 29 -7.658 -6.152 -7.480 1.00 74.31 H new ATOM 0 HA GLU A 29 -8.103 -8.909 -7.023 1.00 31.13 H new ATOM 0 HB2 GLU A 29 -8.617 -7.824 -9.162 1.00 42.24 H new ATOM 0 HB3 GLU A 29 -6.934 -7.398 -9.400 1.00 42.24 H new ATOM 0 HG2 GLU A 29 -6.358 -9.834 -9.563 1.00 71.33 H new ATOM 0 HG3 GLU A 29 -8.052 -10.236 -9.369 1.00 71.33 H new ATOM 453 N LEU A 30 -4.918 -8.011 -7.530 1.00 21.51 N ATOM 454 CA LEU A 30 -3.518 -8.440 -7.373 1.00 2.11 C ATOM 455 C LEU A 30 -3.164 -8.568 -5.881 1.00 65.03 C ATOM 456 O LEU A 30 -2.351 -9.412 -5.512 1.00 3.35 O ATOM 457 CB LEU A 30 -2.542 -7.501 -8.157 1.00 32.15 C ATOM 458 CG LEU A 30 -2.365 -6.007 -7.676 1.00 20.34 C ATOM 459 CD1 LEU A 30 -1.311 -5.872 -6.557 1.00 45.32 C ATOM 460 CD2 LEU A 30 -2.029 -5.059 -8.849 1.00 14.52 C ATOM 0 H LEU A 30 -5.026 -7.075 -7.921 1.00 21.51 H new ATOM 0 HA LEU A 30 -3.399 -9.429 -7.816 1.00 2.11 H new ATOM 0 HB2 LEU A 30 -1.557 -7.968 -8.148 1.00 32.15 H new ATOM 0 HB3 LEU A 30 -2.873 -7.475 -9.195 1.00 32.15 H new ATOM 0 HG LEU A 30 -3.328 -5.708 -7.262 1.00 20.34 H new ATOM 0 HD11 LEU A 30 -1.226 -4.826 -6.261 1.00 45.32 H new ATOM 0 HD12 LEU A 30 -1.615 -6.469 -5.697 1.00 45.32 H new ATOM 0 HD13 LEU A 30 -0.346 -6.225 -6.921 1.00 45.32 H new ATOM 0 HD21 LEU A 30 -1.916 -4.042 -8.474 1.00 14.52 H new ATOM 0 HD22 LEU A 30 -1.099 -5.378 -9.320 1.00 14.52 H new ATOM 0 HD23 LEU A 30 -2.835 -5.088 -9.582 1.00 14.52 H new ATOM 472 N LEU A 31 -3.824 -7.736 -5.040 1.00 74.02 N ATOM 473 CA LEU A 31 -3.712 -7.805 -3.568 1.00 11.30 C ATOM 474 C LEU A 31 -4.284 -9.120 -3.006 1.00 44.53 C ATOM 475 O LEU A 31 -3.864 -9.562 -1.956 1.00 70.15 O ATOM 476 CB LEU A 31 -4.427 -6.599 -2.891 1.00 74.41 C ATOM 477 CG LEU A 31 -3.714 -5.221 -3.006 1.00 63.03 C ATOM 478 CD1 LEU A 31 -4.576 -4.089 -2.418 1.00 63.22 C ATOM 479 CD2 LEU A 31 -2.334 -5.264 -2.332 1.00 42.13 C ATOM 0 H LEU A 31 -4.449 -6.999 -5.366 1.00 74.02 H new ATOM 0 HA LEU A 31 -2.647 -7.767 -3.337 1.00 11.30 H new ATOM 0 HB2 LEU A 31 -5.423 -6.506 -3.323 1.00 74.41 H new ATOM 0 HB3 LEU A 31 -4.558 -6.829 -1.834 1.00 74.41 H new ATOM 0 HG LEU A 31 -3.572 -5.010 -4.066 1.00 63.03 H new ATOM 0 HD11 LEU A 31 -4.047 -3.141 -2.515 1.00 63.22 H new ATOM 0 HD12 LEU A 31 -5.522 -4.034 -2.957 1.00 63.22 H new ATOM 0 HD13 LEU A 31 -4.771 -4.290 -1.364 1.00 63.22 H new ATOM 0 HD21 LEU A 31 -1.853 -4.290 -2.424 1.00 42.13 H new ATOM 0 HD22 LEU A 31 -2.452 -5.512 -1.277 1.00 42.13 H new ATOM 0 HD23 LEU A 31 -1.716 -6.021 -2.816 1.00 42.13 H new ATOM 491 N ASN A 32 -5.264 -9.717 -3.696 1.00 62.34 N ATOM 492 CA ASN A 32 -5.854 -11.013 -3.271 1.00 13.02 C ATOM 493 C ASN A 32 -4.883 -12.158 -3.589 1.00 2.32 C ATOM 494 O ASN A 32 -4.865 -13.190 -2.913 1.00 51.44 O ATOM 495 CB ASN A 32 -7.233 -11.205 -3.967 1.00 24.20 C ATOM 496 CG ASN A 32 -8.129 -12.298 -3.349 1.00 3.03 C ATOM 497 OD1 ASN A 32 -7.669 -13.336 -2.872 1.00 2.43 O ATOM 498 ND2 ASN A 32 -9.431 -12.056 -3.342 1.00 21.52 N ATOM 0 H ASN A 32 -5.670 -9.333 -4.549 1.00 62.34 H new ATOM 0 HA ASN A 32 -6.019 -11.016 -2.194 1.00 13.02 H new ATOM 0 HB2 ASN A 32 -7.771 -10.258 -3.941 1.00 24.20 H new ATOM 0 HB3 ASN A 32 -7.063 -11.446 -5.016 1.00 24.20 H new ATOM 0 HD21 ASN A 32 -10.074 -12.736 -2.936 1.00 21.52 H new ATOM 0 HD22 ASN A 32 -9.791 -11.190 -3.742 1.00 21.52 H new ATOM 505 N LYS A 33 -4.051 -11.933 -4.609 1.00 64.42 N ATOM 506 CA LYS A 33 -3.065 -12.902 -5.087 1.00 3.21 C ATOM 507 C LYS A 33 -1.821 -12.915 -4.170 1.00 50.31 C ATOM 508 O LYS A 33 -1.286 -13.979 -3.854 1.00 52.54 O ATOM 509 CB LYS A 33 -2.686 -12.545 -6.554 1.00 5.32 C ATOM 510 CG LYS A 33 -3.910 -12.446 -7.508 1.00 33.33 C ATOM 511 CD LYS A 33 -3.543 -12.053 -8.953 1.00 35.41 C ATOM 512 CE LYS A 33 -2.576 -13.043 -9.612 1.00 23.14 C ATOM 513 NZ LYS A 33 -3.105 -14.440 -9.623 1.00 31.23 N ATOM 0 H LYS A 33 -4.044 -11.058 -5.133 1.00 64.42 H new ATOM 0 HA LYS A 33 -3.490 -13.905 -5.062 1.00 3.21 H new ATOM 0 HB2 LYS A 33 -2.153 -11.594 -6.561 1.00 5.32 H new ATOM 0 HB3 LYS A 33 -1.998 -13.299 -6.936 1.00 5.32 H new ATOM 0 HG2 LYS A 33 -4.426 -13.406 -7.522 1.00 33.33 H new ATOM 0 HG3 LYS A 33 -4.611 -11.713 -7.109 1.00 33.33 H new ATOM 0 HD2 LYS A 33 -4.453 -11.990 -9.549 1.00 35.41 H new ATOM 0 HD3 LYS A 33 -3.093 -11.060 -8.951 1.00 35.41 H new ATOM 0 HE2 LYS A 33 -2.378 -12.725 -10.636 1.00 23.14 H new ATOM 0 HE3 LYS A 33 -1.624 -13.023 -9.082 1.00 23.14 H new ATOM 0 HZ1 LYS A 33 -2.454 -15.054 -10.153 1.00 31.23 H new ATOM 0 HZ2 LYS A 33 -3.190 -14.787 -8.646 1.00 31.23 H new ATOM 0 HZ3 LYS A 33 -4.040 -14.453 -10.077 1.00 31.23 H new ATOM 527 N ILE A 34 -1.370 -11.720 -3.736 1.00 54.11 N ATOM 528 CA ILE A 34 -0.077 -11.552 -3.012 1.00 20.24 C ATOM 529 C ILE A 34 -0.278 -11.356 -1.486 1.00 52.43 C ATOM 530 O ILE A 34 0.536 -11.817 -0.681 1.00 21.05 O ATOM 531 CB ILE A 34 0.739 -10.354 -3.634 1.00 73.34 C ATOM 532 CG1 ILE A 34 -0.021 -9.000 -3.465 1.00 11.54 C ATOM 533 CG2 ILE A 34 1.049 -10.624 -5.129 1.00 31.02 C ATOM 534 CD1 ILE A 34 0.558 -7.820 -4.222 1.00 31.44 C ATOM 0 H ILE A 34 -1.881 -10.847 -3.872 1.00 54.11 H new ATOM 0 HA ILE A 34 0.494 -12.473 -3.135 1.00 20.24 H new ATOM 0 HB ILE A 34 1.682 -10.276 -3.093 1.00 73.34 H new ATOM 0 HG12 ILE A 34 -1.053 -9.142 -3.785 1.00 11.54 H new ATOM 0 HG13 ILE A 34 -0.048 -8.750 -2.404 1.00 11.54 H new ATOM 0 HG21 ILE A 34 1.612 -9.787 -5.541 1.00 31.02 H new ATOM 0 HG22 ILE A 34 1.638 -11.537 -5.219 1.00 31.02 H new ATOM 0 HG23 ILE A 34 0.115 -10.739 -5.679 1.00 31.02 H new ATOM 0 HD11 ILE A 34 -0.048 -6.934 -4.033 1.00 31.44 H new ATOM 0 HD12 ILE A 34 1.580 -7.639 -3.888 1.00 31.44 H new ATOM 0 HD13 ILE A 34 0.558 -8.038 -5.290 1.00 31.44 H new ATOM 546 N LEU A 35 -1.352 -10.649 -1.113 1.00 23.41 N ATOM 547 CA LEU A 35 -1.762 -10.433 0.298 1.00 22.45 C ATOM 548 C LEU A 35 -2.951 -11.348 0.632 1.00 61.41 C ATOM 549 O LEU A 35 -3.378 -12.173 -0.193 1.00 13.02 O ATOM 550 CB LEU A 35 -2.151 -8.922 0.537 1.00 34.20 C ATOM 551 CG LEU A 35 -1.032 -7.960 1.048 1.00 75.24 C ATOM 552 CD1 LEU A 35 -0.647 -8.271 2.511 1.00 14.22 C ATOM 553 CD2 LEU A 35 0.207 -7.982 0.132 1.00 73.43 C ATOM 0 H LEU A 35 -1.975 -10.201 -1.785 1.00 23.41 H new ATOM 0 HA LEU A 35 -0.925 -10.677 0.952 1.00 22.45 H new ATOM 0 HB2 LEU A 35 -2.536 -8.522 -0.401 1.00 34.20 H new ATOM 0 HB3 LEU A 35 -2.971 -8.896 1.255 1.00 34.20 H new ATOM 0 HG LEU A 35 -1.441 -6.950 1.017 1.00 75.24 H new ATOM 0 HD11 LEU A 35 0.134 -7.584 2.836 1.00 14.22 H new ATOM 0 HD12 LEU A 35 -1.522 -8.154 3.150 1.00 14.22 H new ATOM 0 HD13 LEU A 35 -0.281 -9.295 2.581 1.00 14.22 H new ATOM 0 HD21 LEU A 35 0.961 -7.299 0.523 1.00 73.43 H new ATOM 0 HD22 LEU A 35 0.615 -8.992 0.097 1.00 73.43 H new ATOM 0 HD23 LEU A 35 -0.078 -7.670 -0.873 1.00 73.43 H new ATOM 565 N SER A 36 -3.459 -11.203 1.858 1.00 4.00 N ATOM 566 CA SER A 36 -4.713 -11.832 2.277 1.00 62.10 C ATOM 567 C SER A 36 -5.915 -10.987 1.788 1.00 71.22 C ATOM 568 O SER A 36 -5.811 -9.750 1.732 1.00 21.24 O ATOM 569 CB SER A 36 -4.739 -11.972 3.817 1.00 3.40 C ATOM 570 OG SER A 36 -3.611 -12.696 4.278 1.00 1.22 O ATOM 0 H SER A 36 -3.013 -10.647 2.587 1.00 4.00 H new ATOM 0 HA SER A 36 -4.784 -12.826 1.835 1.00 62.10 H new ATOM 0 HB2 SER A 36 -4.754 -10.983 4.276 1.00 3.40 H new ATOM 0 HB3 SER A 36 -5.653 -12.480 4.125 1.00 3.40 H new ATOM 0 HG SER A 36 -3.647 -12.771 5.254 1.00 1.22 H new ATOM 576 N PRO A 37 -7.072 -11.631 1.421 1.00 22.35 N ATOM 577 CA PRO A 37 -8.346 -10.909 1.143 1.00 55.32 C ATOM 578 C PRO A 37 -8.788 -10.011 2.325 1.00 52.53 C ATOM 579 O PRO A 37 -9.477 -9.014 2.131 1.00 10.52 O ATOM 580 CB PRO A 37 -9.364 -12.042 0.869 1.00 51.32 C ATOM 581 CG PRO A 37 -8.526 -13.212 0.436 1.00 22.31 C ATOM 582 CD PRO A 37 -7.227 -13.096 1.208 1.00 52.32 C ATOM 0 HA PRO A 37 -8.250 -10.218 0.305 1.00 55.32 H new ATOM 0 HB2 PRO A 37 -9.943 -12.279 1.762 1.00 51.32 H new ATOM 0 HB3 PRO A 37 -10.075 -11.756 0.094 1.00 51.32 H new ATOM 0 HG2 PRO A 37 -9.028 -14.155 0.654 1.00 22.31 H new ATOM 0 HG3 PRO A 37 -8.346 -13.188 -0.639 1.00 22.31 H new ATOM 0 HD2 PRO A 37 -7.274 -13.635 2.154 1.00 52.32 H new ATOM 0 HD3 PRO A 37 -6.389 -13.510 0.647 1.00 52.32 H new ATOM 590 N ASP A 38 -8.386 -10.409 3.547 1.00 72.12 N ATOM 591 CA ASP A 38 -8.588 -9.632 4.792 1.00 22.13 C ATOM 592 C ASP A 38 -7.970 -8.219 4.684 1.00 11.11 C ATOM 593 O ASP A 38 -8.630 -7.211 4.989 1.00 71.05 O ATOM 594 CB ASP A 38 -7.962 -10.401 5.995 1.00 54.23 C ATOM 595 CG ASP A 38 -8.091 -9.656 7.341 1.00 60.53 C ATOM 596 OD1 ASP A 38 -7.168 -8.888 7.710 1.00 20.11 O ATOM 597 OD2 ASP A 38 -9.105 -9.853 8.050 1.00 75.22 O ATOM 0 H ASP A 38 -7.903 -11.294 3.703 1.00 72.12 H new ATOM 0 HA ASP A 38 -9.660 -9.513 4.950 1.00 22.13 H new ATOM 0 HB2 ASP A 38 -8.442 -11.376 6.082 1.00 54.23 H new ATOM 0 HB3 ASP A 38 -6.907 -10.583 5.790 1.00 54.23 H new ATOM 602 N VAL A 39 -6.706 -8.174 4.217 1.00 4.34 N ATOM 603 CA VAL A 39 -5.893 -6.944 4.166 1.00 21.21 C ATOM 604 C VAL A 39 -6.474 -5.929 3.169 1.00 70.14 C ATOM 605 O VAL A 39 -6.714 -4.779 3.529 1.00 12.40 O ATOM 606 CB VAL A 39 -4.392 -7.260 3.804 1.00 53.33 C ATOM 607 CG1 VAL A 39 -3.544 -5.966 3.711 1.00 44.31 C ATOM 608 CG2 VAL A 39 -3.775 -8.245 4.825 1.00 21.13 C ATOM 0 H VAL A 39 -6.218 -8.997 3.862 1.00 4.34 H new ATOM 0 HA VAL A 39 -5.920 -6.503 5.162 1.00 21.21 H new ATOM 0 HB VAL A 39 -4.384 -7.732 2.822 1.00 53.33 H new ATOM 0 HG11 VAL A 39 -2.515 -6.223 3.460 1.00 44.31 H new ATOM 0 HG12 VAL A 39 -3.955 -5.316 2.938 1.00 44.31 H new ATOM 0 HG13 VAL A 39 -3.565 -5.448 4.670 1.00 44.31 H new ATOM 0 HG21 VAL A 39 -2.739 -8.448 4.554 1.00 21.13 H new ATOM 0 HG22 VAL A 39 -3.810 -7.805 5.822 1.00 21.13 H new ATOM 0 HG23 VAL A 39 -4.341 -9.177 4.819 1.00 21.13 H new ATOM 618 N LEU A 40 -6.727 -6.367 1.925 1.00 73.14 N ATOM 619 CA LEU A 40 -7.243 -5.470 0.864 1.00 54.12 C ATOM 620 C LEU A 40 -8.653 -4.956 1.196 1.00 43.04 C ATOM 621 O LEU A 40 -9.040 -3.859 0.780 1.00 24.43 O ATOM 622 CB LEU A 40 -7.240 -6.199 -0.503 1.00 74.11 C ATOM 623 CG LEU A 40 -8.191 -7.450 -0.652 1.00 75.43 C ATOM 624 CD1 LEU A 40 -9.592 -7.088 -1.195 1.00 65.00 C ATOM 625 CD2 LEU A 40 -7.550 -8.541 -1.499 1.00 1.20 C ATOM 0 H LEU A 40 -6.585 -7.331 1.625 1.00 73.14 H new ATOM 0 HA LEU A 40 -6.582 -4.606 0.806 1.00 54.12 H new ATOM 0 HB2 LEU A 40 -7.509 -5.476 -1.273 1.00 74.11 H new ATOM 0 HB3 LEU A 40 -6.220 -6.522 -0.712 1.00 74.11 H new ATOM 0 HG LEU A 40 -8.336 -7.835 0.357 1.00 75.43 H new ATOM 0 HD11 LEU A 40 -10.196 -7.992 -1.274 1.00 65.00 H new ATOM 0 HD12 LEU A 40 -10.075 -6.386 -0.515 1.00 65.00 H new ATOM 0 HD13 LEU A 40 -9.494 -6.630 -2.179 1.00 65.00 H new ATOM 0 HD21 LEU A 40 -8.233 -9.387 -1.580 1.00 1.20 H new ATOM 0 HD22 LEU A 40 -7.336 -8.151 -2.494 1.00 1.20 H new ATOM 0 HD23 LEU A 40 -6.622 -8.868 -1.030 1.00 1.20 H new ATOM 637 N ASP A 41 -9.405 -5.775 1.959 1.00 31.11 N ATOM 638 CA ASP A 41 -10.811 -5.508 2.275 1.00 62.45 C ATOM 639 C ASP A 41 -10.924 -4.411 3.339 1.00 21.12 C ATOM 640 O ASP A 41 -11.862 -3.623 3.308 1.00 43.14 O ATOM 641 CB ASP A 41 -11.543 -6.801 2.713 1.00 32.15 C ATOM 642 CG ASP A 41 -13.076 -6.681 2.608 1.00 34.10 C ATOM 643 OD1 ASP A 41 -13.767 -6.632 3.640 1.00 31.01 O ATOM 644 OD2 ASP A 41 -13.597 -6.630 1.465 1.00 20.34 O ATOM 0 H ASP A 41 -9.049 -6.638 2.370 1.00 31.11 H new ATOM 0 HA ASP A 41 -11.302 -5.150 1.370 1.00 62.45 H new ATOM 0 HB2 ASP A 41 -11.205 -7.632 2.095 1.00 32.15 H new ATOM 0 HB3 ASP A 41 -11.271 -7.037 3.742 1.00 32.15 H new ATOM 649 N GLN A 42 -9.950 -4.350 4.271 1.00 13.34 N ATOM 650 CA GLN A 42 -9.875 -3.240 5.238 1.00 62.32 C ATOM 651 C GLN A 42 -9.286 -1.991 4.551 1.00 13.11 C ATOM 652 O GLN A 42 -9.682 -0.872 4.863 1.00 25.21 O ATOM 653 CB GLN A 42 -9.073 -3.630 6.516 1.00 2.43 C ATOM 654 CG GLN A 42 -7.556 -3.827 6.325 1.00 73.01 C ATOM 655 CD GLN A 42 -6.798 -4.199 7.598 1.00 62.12 C ATOM 656 OE1 GLN A 42 -7.189 -3.837 8.712 1.00 2.44 O ATOM 657 NE2 GLN A 42 -5.684 -4.899 7.444 1.00 72.51 N ATOM 0 H GLN A 42 -9.214 -5.048 4.373 1.00 13.34 H new ATOM 0 HA GLN A 42 -10.886 -3.009 5.574 1.00 62.32 H new ATOM 0 HB2 GLN A 42 -9.227 -2.857 7.268 1.00 2.43 H new ATOM 0 HB3 GLN A 42 -9.492 -4.553 6.917 1.00 2.43 H new ATOM 0 HG2 GLN A 42 -7.395 -4.607 5.581 1.00 73.01 H new ATOM 0 HG3 GLN A 42 -7.132 -2.908 5.920 1.00 73.01 H new ATOM 0 HE21 GLN A 42 -5.386 -5.184 6.511 1.00 72.51 H new ATOM 0 HE22 GLN A 42 -5.124 -5.153 8.258 1.00 72.51 H new ATOM 666 N VAL A 43 -8.368 -2.202 3.577 1.00 45.44 N ATOM 667 CA VAL A 43 -7.755 -1.112 2.783 1.00 73.25 C ATOM 668 C VAL A 43 -8.834 -0.314 2.008 1.00 70.41 C ATOM 669 O VAL A 43 -8.794 0.912 2.005 1.00 23.25 O ATOM 670 CB VAL A 43 -6.634 -1.669 1.806 1.00 40.43 C ATOM 671 CG1 VAL A 43 -6.236 -0.655 0.711 1.00 43.34 C ATOM 672 CG2 VAL A 43 -5.373 -2.109 2.594 1.00 41.41 C ATOM 0 H VAL A 43 -8.033 -3.131 3.321 1.00 45.44 H new ATOM 0 HA VAL A 43 -7.270 -0.426 3.478 1.00 73.25 H new ATOM 0 HB VAL A 43 -7.071 -2.535 1.310 1.00 40.43 H new ATOM 0 HG11 VAL A 43 -5.467 -1.091 0.074 1.00 43.34 H new ATOM 0 HG12 VAL A 43 -7.110 -0.409 0.108 1.00 43.34 H new ATOM 0 HG13 VAL A 43 -5.850 0.251 1.177 1.00 43.34 H new ATOM 0 HG21 VAL A 43 -4.623 -2.486 1.899 1.00 41.41 H new ATOM 0 HG22 VAL A 43 -4.968 -1.256 3.138 1.00 41.41 H new ATOM 0 HG23 VAL A 43 -5.641 -2.895 3.300 1.00 41.41 H new ATOM 682 N ARG A 44 -9.814 -1.025 1.401 1.00 12.53 N ATOM 683 CA ARG A 44 -10.909 -0.386 0.617 1.00 21.33 C ATOM 684 C ARG A 44 -11.941 0.317 1.541 1.00 42.52 C ATOM 685 O ARG A 44 -12.671 1.202 1.090 1.00 4.30 O ATOM 686 CB ARG A 44 -11.610 -1.413 -0.324 1.00 31.30 C ATOM 687 CG ARG A 44 -12.274 -2.595 0.402 1.00 34.13 C ATOM 688 CD ARG A 44 -12.864 -3.660 -0.543 1.00 2.34 C ATOM 689 NE ARG A 44 -14.077 -3.198 -1.247 1.00 62.21 N ATOM 690 CZ ARG A 44 -15.248 -3.878 -1.319 1.00 23.52 C ATOM 691 NH1 ARG A 44 -15.395 -5.069 -0.720 1.00 12.02 N ATOM 692 NH2 ARG A 44 -16.261 -3.350 -1.988 1.00 14.22 N ATOM 0 H ARG A 44 -9.872 -2.043 1.437 1.00 12.53 H new ATOM 0 HA ARG A 44 -10.451 0.381 -0.008 1.00 21.33 H new ATOM 0 HB2 ARG A 44 -12.367 -0.892 -0.910 1.00 31.30 H new ATOM 0 HB3 ARG A 44 -10.874 -1.802 -1.028 1.00 31.30 H new ATOM 0 HG2 ARG A 44 -11.538 -3.068 1.052 1.00 34.13 H new ATOM 0 HG3 ARG A 44 -13.068 -2.214 1.044 1.00 34.13 H new ATOM 0 HD2 ARG A 44 -12.110 -3.944 -1.277 1.00 2.34 H new ATOM 0 HD3 ARG A 44 -13.103 -4.555 0.031 1.00 2.34 H new ATOM 0 HE ARG A 44 -14.030 -2.294 -1.717 1.00 62.21 H new ATOM 0 HH11 ARG A 44 -14.619 -5.477 -0.200 1.00 12.02 H new ATOM 0 HH12 ARG A 44 -16.283 -5.566 -0.785 1.00 12.02 H new ATOM 0 HH21 ARG A 44 -16.155 -2.442 -2.441 1.00 14.22 H new ATOM 0 HH22 ARG A 44 -17.147 -3.851 -2.050 1.00 14.22 H new ATOM 706 N GLU A 45 -11.994 -0.093 2.828 1.00 74.55 N ATOM 707 CA GLU A 45 -12.855 0.551 3.855 1.00 31.50 C ATOM 708 C GLU A 45 -12.246 1.886 4.321 1.00 64.55 C ATOM 709 O GLU A 45 -12.916 2.924 4.325 1.00 71.20 O ATOM 710 CB GLU A 45 -13.052 -0.399 5.065 1.00 5.01 C ATOM 711 CG GLU A 45 -13.861 -1.666 4.744 1.00 52.13 C ATOM 712 CD GLU A 45 -13.982 -2.628 5.933 1.00 14.51 C ATOM 713 OE1 GLU A 45 -14.648 -2.270 6.933 1.00 32.44 O ATOM 714 OE2 GLU A 45 -13.416 -3.743 5.884 1.00 25.43 O ATOM 0 H GLU A 45 -11.446 -0.875 3.186 1.00 74.55 H new ATOM 0 HA GLU A 45 -13.827 0.756 3.405 1.00 31.50 H new ATOM 0 HB2 GLU A 45 -12.074 -0.692 5.446 1.00 5.01 H new ATOM 0 HB3 GLU A 45 -13.554 0.147 5.864 1.00 5.01 H new ATOM 0 HG2 GLU A 45 -14.860 -1.377 4.416 1.00 52.13 H new ATOM 0 HG3 GLU A 45 -13.390 -2.187 3.910 1.00 52.13 H new ATOM 721 N HIS A 46 -10.955 1.834 4.694 1.00 35.30 N ATOM 722 CA HIS A 46 -10.187 3.010 5.163 1.00 0.34 C ATOM 723 C HIS A 46 -9.898 3.982 4.000 1.00 25.13 C ATOM 724 O HIS A 46 -9.624 5.163 4.224 1.00 44.30 O ATOM 725 CB HIS A 46 -8.881 2.561 5.876 1.00 60.21 C ATOM 726 CG HIS A 46 -9.126 1.840 7.187 1.00 22.51 C ATOM 727 ND1 HIS A 46 -9.231 0.523 7.484 1.00 25.14 N flip ATOM 728 CD2 HIS A 46 -9.319 2.501 8.381 1.00 25.23 C flip ATOM 729 CE1 HIS A 46 -9.483 0.419 8.820 1.00 65.13 C flip ATOM 730 NE2 HIS A 46 -9.529 1.625 9.339 1.00 70.32 N flip ATOM 0 H HIS A 46 -10.409 0.973 4.680 1.00 35.30 H new ATOM 0 HA HIS A 46 -10.793 3.549 5.891 1.00 0.34 H new ATOM 0 HB2 HIS A 46 -8.319 1.906 5.210 1.00 60.21 H new ATOM 0 HB3 HIS A 46 -8.259 3.436 6.062 1.00 60.21 H new ATOM 0 HD1 HIS A 46 -9.138 -0.252 6.827 1.00 25.14 H new ATOM 0 HD2 HIS A 46 -9.301 3.573 8.510 1.00 25.23 H new ATOM 0 HE1 HIS A 46 -9.622 -0.504 9.363 1.00 65.13 H new ATOM 739 N ALA A 47 -9.960 3.445 2.774 1.00 72.12 N ATOM 740 CA ALA A 47 -9.888 4.209 1.521 1.00 2.25 C ATOM 741 C ALA A 47 -10.994 5.259 1.438 1.00 61.22 C ATOM 742 O ALA A 47 -10.754 6.408 1.059 1.00 43.54 O ATOM 743 CB ALA A 47 -10.031 3.249 0.348 1.00 63.13 C ATOM 0 H ALA A 47 -10.064 2.442 2.622 1.00 72.12 H new ATOM 0 HA ALA A 47 -8.927 4.722 1.490 1.00 2.25 H new ATOM 0 HB1 ALA A 47 -9.979 3.807 -0.587 1.00 63.13 H new ATOM 0 HB2 ALA A 47 -9.226 2.515 0.378 1.00 63.13 H new ATOM 0 HB3 ALA A 47 -10.991 2.737 0.412 1.00 63.13 H new ATOM 749 N ARG A 48 -12.209 4.816 1.804 1.00 24.15 N ATOM 750 CA ARG A 48 -13.413 5.652 1.809 1.00 0.22 C ATOM 751 C ARG A 48 -13.242 6.843 2.761 1.00 52.23 C ATOM 752 O ARG A 48 -13.686 7.935 2.454 1.00 34.41 O ATOM 753 CB ARG A 48 -14.647 4.802 2.210 1.00 70.24 C ATOM 754 CG ARG A 48 -14.961 3.655 1.223 1.00 53.22 C ATOM 755 CD ARG A 48 -16.112 2.749 1.693 1.00 22.52 C ATOM 756 NE ARG A 48 -16.449 1.730 0.684 1.00 70.20 N ATOM 757 CZ ARG A 48 -17.223 0.650 0.891 1.00 63.43 C ATOM 758 NH1 ARG A 48 -17.764 0.404 2.086 1.00 63.32 N ATOM 759 NH2 ARG A 48 -17.465 -0.181 -0.110 1.00 33.13 N ATOM 0 H ARG A 48 -12.380 3.857 2.107 1.00 24.15 H new ATOM 0 HA ARG A 48 -13.571 6.044 0.804 1.00 0.22 H new ATOM 0 HB2 ARG A 48 -14.480 4.380 3.201 1.00 70.24 H new ATOM 0 HB3 ARG A 48 -15.517 5.454 2.284 1.00 70.24 H new ATOM 0 HG2 ARG A 48 -15.215 4.079 0.252 1.00 53.22 H new ATOM 0 HG3 ARG A 48 -14.065 3.050 1.082 1.00 53.22 H new ATOM 0 HD2 ARG A 48 -15.832 2.259 2.626 1.00 22.52 H new ATOM 0 HD3 ARG A 48 -16.991 3.357 1.904 1.00 22.52 H new ATOM 0 HE ARG A 48 -16.062 1.854 -0.252 1.00 70.20 H new ATOM 0 HH11 ARG A 48 -17.593 1.041 2.864 1.00 63.32 H new ATOM 0 HH12 ARG A 48 -18.348 -0.421 2.221 1.00 63.32 H new ATOM 0 HH21 ARG A 48 -17.065 -0.000 -1.031 1.00 33.13 H new ATOM 0 HH22 ARG A 48 -18.051 -1.002 0.039 1.00 33.13 H new ATOM 773 N GLU A 49 -12.535 6.608 3.882 1.00 61.31 N ATOM 774 CA GLU A 49 -12.304 7.627 4.929 1.00 51.11 C ATOM 775 C GLU A 49 -11.372 8.734 4.401 1.00 61.40 C ATOM 776 O GLU A 49 -11.641 9.919 4.587 1.00 21.53 O ATOM 777 CB GLU A 49 -11.704 6.960 6.203 1.00 25.22 C ATOM 778 CG GLU A 49 -12.395 5.643 6.634 1.00 74.33 C ATOM 779 CD GLU A 49 -13.919 5.763 6.842 1.00 64.01 C ATOM 780 OE1 GLU A 49 -14.367 5.999 7.987 1.00 74.22 O ATOM 781 OE2 GLU A 49 -14.680 5.614 5.862 1.00 45.33 O ATOM 0 H GLU A 49 -12.106 5.706 4.090 1.00 61.31 H new ATOM 0 HA GLU A 49 -13.258 8.083 5.195 1.00 51.11 H new ATOM 0 HB2 GLU A 49 -10.647 6.759 6.027 1.00 25.22 H new ATOM 0 HB3 GLU A 49 -11.760 7.670 7.028 1.00 25.22 H new ATOM 0 HG2 GLU A 49 -12.202 4.881 5.878 1.00 74.33 H new ATOM 0 HG3 GLU A 49 -11.940 5.294 7.561 1.00 74.33 H new ATOM 788 N LEU A 50 -10.297 8.311 3.703 1.00 1.34 N ATOM 789 CA LEU A 50 -9.323 9.223 3.058 1.00 54.31 C ATOM 790 C LEU A 50 -9.978 10.017 1.910 1.00 33.23 C ATOM 791 O LEU A 50 -9.562 11.138 1.598 1.00 73.21 O ATOM 792 CB LEU A 50 -8.120 8.403 2.528 1.00 64.14 C ATOM 793 CG LEU A 50 -7.290 7.645 3.613 1.00 5.42 C ATOM 794 CD1 LEU A 50 -6.299 6.672 2.971 1.00 54.53 C ATOM 795 CD2 LEU A 50 -6.557 8.625 4.546 1.00 62.42 C ATOM 0 H LEU A 50 -10.078 7.324 3.569 1.00 1.34 H new ATOM 0 HA LEU A 50 -8.975 9.941 3.801 1.00 54.31 H new ATOM 0 HB2 LEU A 50 -8.489 7.676 1.805 1.00 64.14 H new ATOM 0 HB3 LEU A 50 -7.453 9.077 1.990 1.00 64.14 H new ATOM 0 HG LEU A 50 -7.993 7.069 4.215 1.00 5.42 H new ATOM 0 HD11 LEU A 50 -5.736 6.159 3.751 1.00 54.53 H new ATOM 0 HD12 LEU A 50 -6.843 5.939 2.375 1.00 54.53 H new ATOM 0 HD13 LEU A 50 -5.611 7.223 2.330 1.00 54.53 H new ATOM 0 HD21 LEU A 50 -5.989 8.065 5.289 1.00 62.42 H new ATOM 0 HD22 LEU A 50 -5.877 9.244 3.961 1.00 62.42 H new ATOM 0 HD23 LEU A 50 -7.285 9.261 5.050 1.00 62.42 H new ATOM 807 N GLN A 51 -11.011 9.410 1.306 1.00 55.42 N ATOM 808 CA GLN A 51 -11.792 10.009 0.213 1.00 32.44 C ATOM 809 C GLN A 51 -12.818 11.020 0.784 1.00 54.13 C ATOM 810 O GLN A 51 -13.103 12.042 0.153 1.00 30.14 O ATOM 811 CB GLN A 51 -12.486 8.878 -0.598 1.00 65.54 C ATOM 812 CG GLN A 51 -13.215 9.341 -1.868 1.00 71.20 C ATOM 813 CD GLN A 51 -13.877 8.191 -2.629 1.00 72.54 C ATOM 814 OE1 GLN A 51 -15.034 7.852 -2.383 1.00 20.15 O ATOM 815 NE2 GLN A 51 -13.143 7.577 -3.549 1.00 43.34 N ATOM 0 H GLN A 51 -11.331 8.477 1.566 1.00 55.42 H new ATOM 0 HA GLN A 51 -11.134 10.559 -0.460 1.00 32.44 H new ATOM 0 HB2 GLN A 51 -11.735 8.139 -0.878 1.00 65.54 H new ATOM 0 HB3 GLN A 51 -13.203 8.374 0.051 1.00 65.54 H new ATOM 0 HG2 GLN A 51 -13.974 10.075 -1.598 1.00 71.20 H new ATOM 0 HG3 GLN A 51 -12.505 9.844 -2.525 1.00 71.20 H new ATOM 0 HE21 GLN A 51 -12.187 7.884 -3.727 1.00 43.34 H new ATOM 0 HE22 GLN A 51 -13.535 6.798 -4.078 1.00 43.34 H new ATOM 824 N LYS A 52 -13.342 10.729 2.000 1.00 3.24 N ATOM 825 CA LYS A 52 -14.267 11.632 2.734 1.00 45.42 C ATOM 826 C LYS A 52 -13.530 12.906 3.176 1.00 74.50 C ATOM 827 O LYS A 52 -14.092 14.010 3.158 1.00 33.40 O ATOM 828 CB LYS A 52 -14.859 10.914 3.978 1.00 42.55 C ATOM 829 CG LYS A 52 -15.837 9.763 3.659 1.00 44.02 C ATOM 830 CD LYS A 52 -16.180 8.920 4.908 1.00 11.44 C ATOM 831 CE LYS A 52 -17.077 7.720 4.590 1.00 64.51 C ATOM 832 NZ LYS A 52 -17.309 6.875 5.793 1.00 2.51 N ATOM 0 H LYS A 52 -13.137 9.864 2.500 1.00 3.24 H new ATOM 0 HA LYS A 52 -15.081 11.904 2.062 1.00 45.42 H new ATOM 0 HB2 LYS A 52 -14.038 10.519 4.576 1.00 42.55 H new ATOM 0 HB3 LYS A 52 -15.376 11.651 4.593 1.00 42.55 H new ATOM 0 HG2 LYS A 52 -16.754 10.175 3.239 1.00 44.02 H new ATOM 0 HG3 LYS A 52 -15.399 9.118 2.897 1.00 44.02 H new ATOM 0 HD2 LYS A 52 -15.256 8.565 5.366 1.00 11.44 H new ATOM 0 HD3 LYS A 52 -16.677 9.554 5.643 1.00 11.44 H new ATOM 0 HE2 LYS A 52 -18.033 8.072 4.202 1.00 64.51 H new ATOM 0 HE3 LYS A 52 -16.617 7.119 3.806 1.00 64.51 H new ATOM 0 HZ1 LYS A 52 -18.106 6.231 5.616 1.00 2.51 H new ATOM 0 HZ2 LYS A 52 -16.454 6.320 5.997 1.00 2.51 H new ATOM 0 HZ3 LYS A 52 -17.529 7.483 6.607 1.00 2.51 H new ATOM 846 N GLN A 53 -12.270 12.715 3.610 1.00 4.14 N ATOM 847 CA GLN A 53 -11.341 13.813 3.921 1.00 50.21 C ATOM 848 C GLN A 53 -11.023 14.587 2.632 1.00 11.44 C ATOM 849 O GLN A 53 -11.079 15.819 2.599 1.00 54.00 O ATOM 850 CB GLN A 53 -10.044 13.247 4.564 1.00 11.22 C ATOM 851 CG GLN A 53 -10.270 12.521 5.906 1.00 30.11 C ATOM 852 CD GLN A 53 -9.044 11.746 6.393 1.00 73.43 C ATOM 853 OE1 GLN A 53 -8.882 10.567 6.088 1.00 35.43 O ATOM 854 NE2 GLN A 53 -8.159 12.398 7.127 1.00 1.32 N ATOM 0 H GLN A 53 -11.868 11.789 3.755 1.00 4.14 H new ATOM 0 HA GLN A 53 -11.802 14.495 4.636 1.00 50.21 H new ATOM 0 HB2 GLN A 53 -9.576 12.555 3.863 1.00 11.22 H new ATOM 0 HB3 GLN A 53 -9.342 14.066 4.720 1.00 11.22 H new ATOM 0 HG2 GLN A 53 -10.552 13.253 6.663 1.00 30.11 H new ATOM 0 HG3 GLN A 53 -11.108 11.832 5.801 1.00 30.11 H new ATOM 0 HE21 GLN A 53 -8.317 13.377 7.367 1.00 1.32 H new ATOM 0 HE22 GLN A 53 -7.318 11.922 7.454 1.00 1.32 H new ATOM 863 N GLY A 54 -10.761 13.827 1.558 1.00 24.50 N ATOM 864 CA GLY A 54 -10.416 14.391 0.256 1.00 43.41 C ATOM 865 C GLY A 54 -8.932 14.679 0.133 1.00 4.40 C ATOM 866 O GLY A 54 -8.533 15.752 -0.332 1.00 14.03 O ATOM 0 H GLY A 54 -10.784 12.807 1.573 1.00 24.50 H new ATOM 0 HA2 GLY A 54 -10.716 13.698 -0.530 1.00 43.41 H new ATOM 0 HA3 GLY A 54 -10.978 15.312 0.100 1.00 43.41 H new ATOM 870 N ILE A 55 -8.112 13.716 0.576 1.00 22.15 N ATOM 871 CA ILE A 55 -6.649 13.794 0.474 1.00 30.33 C ATOM 872 C ILE A 55 -6.232 13.424 -0.960 1.00 72.01 C ATOM 873 O ILE A 55 -6.334 12.260 -1.352 1.00 61.33 O ATOM 874 CB ILE A 55 -5.942 12.841 1.518 1.00 72.45 C ATOM 875 CG1 ILE A 55 -6.446 13.154 2.963 1.00 73.00 C ATOM 876 CG2 ILE A 55 -4.396 12.952 1.420 1.00 40.13 C ATOM 877 CD1 ILE A 55 -5.908 12.239 4.050 1.00 53.43 C ATOM 0 H ILE A 55 -8.446 12.859 1.016 1.00 22.15 H new ATOM 0 HA ILE A 55 -6.334 14.812 0.703 1.00 30.33 H new ATOM 0 HB ILE A 55 -6.208 11.811 1.281 1.00 72.45 H new ATOM 0 HG12 ILE A 55 -6.177 14.181 3.209 1.00 73.00 H new ATOM 0 HG13 ILE A 55 -7.535 13.099 2.970 1.00 73.00 H new ATOM 0 HG21 ILE A 55 -3.936 12.285 2.150 1.00 40.13 H new ATOM 0 HG22 ILE A 55 -4.074 12.670 0.418 1.00 40.13 H new ATOM 0 HG23 ILE A 55 -4.091 13.979 1.624 1.00 40.13 H new ATOM 0 HD11 ILE A 55 -6.318 12.540 5.014 1.00 53.43 H new ATOM 0 HD12 ILE A 55 -6.199 11.210 3.837 1.00 53.43 H new ATOM 0 HD13 ILE A 55 -4.821 12.309 4.080 1.00 53.43 H new ATOM 889 N HIS A 56 -5.827 14.430 -1.751 1.00 74.14 N ATOM 890 CA HIS A 56 -5.354 14.212 -3.128 1.00 20.34 C ATOM 891 C HIS A 56 -3.854 13.876 -3.065 1.00 65.44 C ATOM 892 O HIS A 56 -3.047 14.754 -2.812 1.00 42.24 O ATOM 893 CB HIS A 56 -5.608 15.503 -3.961 1.00 64.11 C ATOM 894 CG HIS A 56 -5.239 15.430 -5.429 1.00 62.41 C ATOM 895 ND1 HIS A 56 -6.180 15.442 -6.438 1.00 3.02 N ATOM 896 CD2 HIS A 56 -4.031 15.392 -6.057 1.00 61.45 C ATOM 897 CE1 HIS A 56 -5.573 15.417 -7.608 1.00 62.50 C ATOM 898 NE2 HIS A 56 -4.275 15.388 -7.404 1.00 75.04 N ATOM 0 H HIS A 56 -5.818 15.407 -1.459 1.00 74.14 H new ATOM 0 HA HIS A 56 -5.886 13.390 -3.606 1.00 20.34 H new ATOM 0 HB2 HIS A 56 -6.665 15.759 -3.885 1.00 64.11 H new ATOM 0 HB3 HIS A 56 -5.049 16.321 -3.506 1.00 64.11 H new ATOM 0 HD2 HIS A 56 -3.062 15.369 -5.581 1.00 61.45 H new ATOM 0 HE1 HIS A 56 -6.060 15.420 -8.572 1.00 62.50 H new ATOM 0 HE2 HIS A 56 -3.562 15.366 -8.134 1.00 75.04 H new ATOM 907 N PHE A 57 -3.485 12.625 -3.334 1.00 15.21 N ATOM 908 CA PHE A 57 -2.085 12.166 -3.231 1.00 31.42 C ATOM 909 C PHE A 57 -1.699 11.425 -4.508 1.00 15.24 C ATOM 910 O PHE A 57 -2.517 10.709 -5.084 1.00 13.50 O ATOM 911 CB PHE A 57 -1.878 11.268 -1.969 1.00 74.14 C ATOM 912 CG PHE A 57 -2.801 10.053 -1.891 1.00 72.22 C ATOM 913 CD1 PHE A 57 -2.446 8.835 -2.478 1.00 42.10 C ATOM 914 CD2 PHE A 57 -4.043 10.139 -1.263 1.00 11.01 C ATOM 915 CE1 PHE A 57 -3.292 7.754 -2.430 1.00 4.53 C ATOM 916 CE2 PHE A 57 -4.888 9.052 -1.214 1.00 50.24 C ATOM 917 CZ PHE A 57 -4.510 7.868 -1.807 1.00 53.14 C ATOM 0 H PHE A 57 -4.137 11.898 -3.628 1.00 15.21 H new ATOM 0 HA PHE A 57 -1.434 13.033 -3.117 1.00 31.42 H new ATOM 0 HB2 PHE A 57 -0.844 10.923 -1.951 1.00 74.14 H new ATOM 0 HB3 PHE A 57 -2.026 11.878 -1.078 1.00 74.14 H new ATOM 0 HD1 PHE A 57 -1.492 8.743 -2.977 1.00 42.10 H new ATOM 0 HD2 PHE A 57 -4.347 11.071 -0.809 1.00 11.01 H new ATOM 0 HE1 PHE A 57 -3.000 6.817 -2.881 1.00 4.53 H new ATOM 0 HE2 PHE A 57 -5.842 9.128 -0.713 1.00 50.24 H new ATOM 0 HZ PHE A 57 -5.179 7.020 -1.782 1.00 53.14 H new ATOM 927 N GLU A 58 -0.460 11.616 -4.956 1.00 11.50 N ATOM 928 CA GLU A 58 0.111 10.876 -6.090 1.00 62.34 C ATOM 929 C GLU A 58 1.341 10.109 -5.608 1.00 71.01 C ATOM 930 O GLU A 58 2.152 10.653 -4.854 1.00 23.14 O ATOM 931 CB GLU A 58 0.488 11.835 -7.250 1.00 60.24 C ATOM 932 CG GLU A 58 1.079 11.124 -8.494 1.00 52.23 C ATOM 933 CD GLU A 58 1.391 12.059 -9.674 1.00 62.02 C ATOM 934 OE1 GLU A 58 2.221 12.973 -9.513 1.00 32.05 O ATOM 935 OE2 GLU A 58 0.830 11.867 -10.782 1.00 20.30 O ATOM 0 H GLU A 58 0.183 12.291 -4.543 1.00 11.50 H new ATOM 0 HA GLU A 58 -0.633 10.177 -6.473 1.00 62.34 H new ATOM 0 HB2 GLU A 58 -0.400 12.391 -7.551 1.00 60.24 H new ATOM 0 HB3 GLU A 58 1.211 12.564 -6.884 1.00 60.24 H new ATOM 0 HG2 GLU A 58 1.995 10.610 -8.202 1.00 52.23 H new ATOM 0 HG3 GLU A 58 0.377 10.360 -8.828 1.00 52.23 H new ATOM 942 N VAL A 59 1.445 8.842 -6.032 1.00 54.44 N ATOM 943 CA VAL A 59 2.621 8.003 -5.802 1.00 5.22 C ATOM 944 C VAL A 59 3.772 8.539 -6.673 1.00 3.13 C ATOM 945 O VAL A 59 3.813 8.310 -7.886 1.00 10.01 O ATOM 946 CB VAL A 59 2.302 6.493 -6.141 1.00 41.12 C ATOM 947 CG1 VAL A 59 3.516 5.577 -5.891 1.00 31.34 C ATOM 948 CG2 VAL A 59 1.069 6.006 -5.345 1.00 45.15 C ATOM 0 H VAL A 59 0.704 8.369 -6.550 1.00 54.44 H new ATOM 0 HA VAL A 59 2.910 8.041 -4.752 1.00 5.22 H new ATOM 0 HB VAL A 59 2.073 6.438 -7.205 1.00 41.12 H new ATOM 0 HG11 VAL A 59 3.252 4.548 -6.137 1.00 31.34 H new ATOM 0 HG12 VAL A 59 4.349 5.898 -6.517 1.00 31.34 H new ATOM 0 HG13 VAL A 59 3.807 5.636 -4.842 1.00 31.34 H new ATOM 0 HG21 VAL A 59 0.865 4.964 -5.592 1.00 45.15 H new ATOM 0 HG22 VAL A 59 1.268 6.094 -4.277 1.00 45.15 H new ATOM 0 HG23 VAL A 59 0.204 6.616 -5.605 1.00 45.15 H new ATOM 958 N LYS A 60 4.667 9.303 -6.037 1.00 41.31 N ATOM 959 CA LYS A 60 5.740 10.036 -6.728 1.00 4.35 C ATOM 960 C LYS A 60 6.948 9.134 -6.964 1.00 74.53 C ATOM 961 O LYS A 60 7.464 9.037 -8.082 1.00 72.22 O ATOM 962 CB LYS A 60 6.168 11.273 -5.889 1.00 54.41 C ATOM 963 CG LYS A 60 5.005 12.186 -5.459 1.00 52.22 C ATOM 964 CD LYS A 60 4.252 12.838 -6.641 1.00 51.42 C ATOM 965 CE LYS A 60 5.078 13.915 -7.360 1.00 41.54 C ATOM 966 NZ LYS A 60 4.317 14.543 -8.474 1.00 13.15 N ATOM 0 H LYS A 60 4.670 9.432 -5.025 1.00 41.31 H new ATOM 0 HA LYS A 60 5.358 10.368 -7.694 1.00 4.35 H new ATOM 0 HB2 LYS A 60 6.691 10.928 -4.997 1.00 54.41 H new ATOM 0 HB3 LYS A 60 6.880 11.861 -6.469 1.00 54.41 H new ATOM 0 HG2 LYS A 60 4.298 11.604 -4.867 1.00 52.22 H new ATOM 0 HG3 LYS A 60 5.393 12.971 -4.810 1.00 52.22 H new ATOM 0 HD2 LYS A 60 3.972 12.065 -7.357 1.00 51.42 H new ATOM 0 HD3 LYS A 60 3.327 13.283 -6.274 1.00 51.42 H new ATOM 0 HE2 LYS A 60 5.376 14.682 -6.645 1.00 41.54 H new ATOM 0 HE3 LYS A 60 5.994 13.471 -7.750 1.00 41.54 H new ATOM 0 HZ1 LYS A 60 4.964 14.756 -9.260 1.00 13.15 H new ATOM 0 HZ2 LYS A 60 3.578 13.889 -8.802 1.00 13.15 H new ATOM 0 HZ3 LYS A 60 3.876 15.424 -8.140 1.00 13.15 H new ATOM 980 N ARG A 61 7.379 8.464 -5.891 1.00 43.21 N ATOM 981 CA ARG A 61 8.644 7.720 -5.869 1.00 21.55 C ATOM 982 C ARG A 61 8.485 6.458 -5.018 1.00 2.04 C ATOM 983 O ARG A 61 8.134 6.552 -3.851 1.00 41.44 O ATOM 984 CB ARG A 61 9.738 8.664 -5.289 1.00 71.10 C ATOM 985 CG ARG A 61 11.131 8.034 -5.055 1.00 2.13 C ATOM 986 CD ARG A 61 12.169 9.083 -4.613 1.00 25.03 C ATOM 987 NE ARG A 61 13.452 8.471 -4.214 1.00 3.44 N ATOM 988 CZ ARG A 61 14.629 8.623 -4.850 1.00 11.03 C ATOM 989 NH1 ARG A 61 14.732 9.372 -5.948 1.00 64.43 N ATOM 990 NH2 ARG A 61 15.710 8.016 -4.381 1.00 32.05 N ATOM 0 H ARG A 61 6.862 8.422 -5.013 1.00 43.21 H new ATOM 0 HA ARG A 61 8.933 7.403 -6.871 1.00 21.55 H new ATOM 0 HB2 ARG A 61 9.854 9.510 -5.966 1.00 71.10 H new ATOM 0 HB3 ARG A 61 9.379 9.062 -4.340 1.00 71.10 H new ATOM 0 HG2 ARG A 61 11.055 7.256 -4.295 1.00 2.13 H new ATOM 0 HG3 ARG A 61 11.470 7.552 -5.972 1.00 2.13 H new ATOM 0 HD2 ARG A 61 12.342 9.785 -5.429 1.00 25.03 H new ATOM 0 HD3 ARG A 61 11.768 9.658 -3.778 1.00 25.03 H new ATOM 0 HE ARG A 61 13.446 7.880 -3.382 1.00 3.44 H new ATOM 0 HH11 ARG A 61 13.909 9.844 -6.322 1.00 64.43 H new ATOM 0 HH12 ARG A 61 15.634 9.473 -6.414 1.00 64.43 H new ATOM 0 HH21 ARG A 61 15.647 7.438 -3.543 1.00 32.05 H new ATOM 0 HH22 ARG A 61 16.605 8.127 -4.858 1.00 32.05 H new ATOM 1004 N VAL A 62 8.750 5.284 -5.620 1.00 34.02 N ATOM 1005 CA VAL A 62 8.693 3.975 -4.927 1.00 11.30 C ATOM 1006 C VAL A 62 10.111 3.403 -4.808 1.00 65.22 C ATOM 1007 O VAL A 62 10.812 3.275 -5.822 1.00 13.30 O ATOM 1008 CB VAL A 62 7.785 2.936 -5.701 1.00 63.02 C ATOM 1009 CG1 VAL A 62 7.656 1.598 -4.929 1.00 60.34 C ATOM 1010 CG2 VAL A 62 6.398 3.529 -6.000 1.00 24.13 C ATOM 0 H VAL A 62 9.011 5.212 -6.603 1.00 34.02 H new ATOM 0 HA VAL A 62 8.257 4.139 -3.942 1.00 11.30 H new ATOM 0 HB VAL A 62 8.277 2.722 -6.650 1.00 63.02 H new ATOM 0 HG11 VAL A 62 7.025 0.912 -5.493 1.00 60.34 H new ATOM 0 HG12 VAL A 62 8.644 1.157 -4.797 1.00 60.34 H new ATOM 0 HG13 VAL A 62 7.208 1.783 -3.953 1.00 60.34 H new ATOM 0 HG21 VAL A 62 5.795 2.794 -6.532 1.00 24.13 H new ATOM 0 HG22 VAL A 62 5.906 3.793 -5.064 1.00 24.13 H new ATOM 0 HG23 VAL A 62 6.509 4.422 -6.616 1.00 24.13 H new ATOM 1020 N GLU A 63 10.534 3.081 -3.579 1.00 24.34 N ATOM 1021 CA GLU A 63 11.813 2.404 -3.309 1.00 31.03 C ATOM 1022 C GLU A 63 11.536 1.195 -2.407 1.00 12.25 C ATOM 1023 O GLU A 63 11.228 1.363 -1.228 1.00 64.53 O ATOM 1024 CB GLU A 63 12.817 3.377 -2.631 1.00 24.42 C ATOM 1025 CG GLU A 63 13.162 4.616 -3.476 1.00 33.13 C ATOM 1026 CD GLU A 63 14.258 5.485 -2.848 1.00 13.10 C ATOM 1027 OE1 GLU A 63 15.448 5.311 -3.196 1.00 51.11 O ATOM 1028 OE2 GLU A 63 13.942 6.349 -2.002 1.00 31.32 O ATOM 0 H GLU A 63 9.996 3.284 -2.737 1.00 24.34 H new ATOM 0 HA GLU A 63 12.262 2.073 -4.245 1.00 31.03 H new ATOM 0 HB2 GLU A 63 12.401 3.705 -1.678 1.00 24.42 H new ATOM 0 HB3 GLU A 63 13.736 2.836 -2.408 1.00 24.42 H new ATOM 0 HG2 GLU A 63 13.484 4.295 -4.467 1.00 33.13 H new ATOM 0 HG3 GLU A 63 12.263 5.217 -3.612 1.00 33.13 H new ATOM 1035 N VAL A 64 11.638 -0.020 -2.963 1.00 4.44 N ATOM 1036 CA VAL A 64 11.355 -1.267 -2.223 1.00 43.42 C ATOM 1037 C VAL A 64 12.676 -1.858 -1.682 1.00 72.21 C ATOM 1038 O VAL A 64 13.620 -2.112 -2.435 1.00 3.32 O ATOM 1039 CB VAL A 64 10.563 -2.313 -3.113 1.00 53.32 C ATOM 1040 CG1 VAL A 64 11.295 -2.667 -4.430 1.00 22.15 C ATOM 1041 CG2 VAL A 64 10.218 -3.583 -2.299 1.00 64.41 C ATOM 0 H VAL A 64 11.917 -0.171 -3.932 1.00 4.44 H new ATOM 0 HA VAL A 64 10.707 -1.032 -1.379 1.00 43.42 H new ATOM 0 HB VAL A 64 9.632 -1.829 -3.407 1.00 53.32 H new ATOM 0 HG11 VAL A 64 10.702 -3.387 -4.994 1.00 22.15 H new ATOM 0 HG12 VAL A 64 11.431 -1.764 -5.025 1.00 22.15 H new ATOM 0 HG13 VAL A 64 12.269 -3.100 -4.200 1.00 22.15 H new ATOM 0 HG21 VAL A 64 9.675 -4.285 -2.932 1.00 64.41 H new ATOM 0 HG22 VAL A 64 11.138 -4.050 -1.946 1.00 64.41 H new ATOM 0 HG23 VAL A 64 9.598 -3.310 -1.445 1.00 64.41 H new ATOM 1051 N THR A 65 12.745 -2.015 -0.350 1.00 72.34 N ATOM 1052 CA THR A 65 13.956 -2.447 0.371 1.00 31.33 C ATOM 1053 C THR A 65 13.611 -3.614 1.312 1.00 53.45 C ATOM 1054 O THR A 65 12.549 -3.612 1.930 1.00 25.21 O ATOM 1055 CB THR A 65 14.541 -1.245 1.196 1.00 70.53 C ATOM 1056 OG1 THR A 65 14.799 -0.134 0.321 1.00 45.53 O ATOM 1057 CG2 THR A 65 15.840 -1.619 1.930 1.00 75.15 C ATOM 0 H THR A 65 11.950 -1.843 0.266 1.00 72.34 H new ATOM 0 HA THR A 65 14.704 -2.780 -0.349 1.00 31.33 H new ATOM 0 HB THR A 65 13.797 -0.976 1.946 1.00 70.53 H new ATOM 0 HG1 THR A 65 15.162 0.614 0.840 1.00 45.53 H new ATOM 0 HG21 THR A 65 16.205 -0.756 2.486 1.00 75.15 H new ATOM 0 HG22 THR A 65 15.644 -2.439 2.621 1.00 75.15 H new ATOM 0 HG23 THR A 65 16.592 -1.928 1.204 1.00 75.15 H new ATOM 1065 N THR A 66 14.515 -4.598 1.422 1.00 74.43 N ATOM 1066 CA THR A 66 14.332 -5.760 2.305 1.00 2.41 C ATOM 1067 C THR A 66 14.883 -5.473 3.713 1.00 31.32 C ATOM 1068 O THR A 66 15.679 -4.545 3.909 1.00 52.51 O ATOM 1069 CB THR A 66 15.022 -7.020 1.698 1.00 74.22 C ATOM 1070 OG1 THR A 66 16.386 -6.717 1.344 1.00 71.13 O ATOM 1071 CG2 THR A 66 14.272 -7.538 0.464 1.00 14.54 C ATOM 0 H THR A 66 15.393 -4.611 0.902 1.00 74.43 H new ATOM 0 HA THR A 66 13.263 -5.955 2.391 1.00 2.41 H new ATOM 0 HB THR A 66 15.005 -7.802 2.457 1.00 74.22 H new ATOM 0 HG1 THR A 66 16.811 -7.515 0.966 1.00 71.13 H new ATOM 0 HG21 THR A 66 14.783 -8.416 0.070 1.00 14.54 H new ATOM 0 HG22 THR A 66 13.253 -7.806 0.743 1.00 14.54 H new ATOM 0 HG23 THR A 66 14.246 -6.760 -0.299 1.00 14.54 H new ATOM 1079 N ASP A 67 14.464 -6.308 4.673 1.00 33.30 N ATOM 1080 CA ASP A 67 14.737 -6.124 6.106 1.00 3.12 C ATOM 1081 C ASP A 67 14.587 -7.497 6.794 1.00 72.01 C ATOM 1082 O ASP A 67 13.579 -7.771 7.454 1.00 61.21 O ATOM 1083 CB ASP A 67 13.735 -5.076 6.680 1.00 11.22 C ATOM 1084 CG ASP A 67 14.052 -4.621 8.112 1.00 24.12 C ATOM 1085 OD1 ASP A 67 13.539 -5.230 9.079 1.00 33.40 O ATOM 1086 OD2 ASP A 67 14.812 -3.642 8.277 1.00 53.10 O ATOM 0 H ASP A 67 13.916 -7.145 4.473 1.00 33.30 H new ATOM 0 HA ASP A 67 15.746 -5.750 6.281 1.00 3.12 H new ATOM 0 HB2 ASP A 67 13.726 -4.203 6.027 1.00 11.22 H new ATOM 0 HB3 ASP A 67 12.731 -5.500 6.659 1.00 11.22 H new ATOM 1091 N GLY A 68 15.588 -8.374 6.591 1.00 51.31 N ATOM 1092 CA GLY A 68 15.500 -9.772 7.023 1.00 51.12 C ATOM 1093 C GLY A 68 14.404 -10.531 6.275 1.00 72.41 C ATOM 1094 O GLY A 68 14.463 -10.654 5.049 1.00 52.22 O ATOM 0 H GLY A 68 16.466 -8.134 6.130 1.00 51.31 H new ATOM 0 HA2 GLY A 68 16.459 -10.264 6.859 1.00 51.12 H new ATOM 0 HA3 GLY A 68 15.301 -9.809 8.094 1.00 51.12 H new ATOM 1098 N ASN A 69 13.392 -11.022 7.012 1.00 20.54 N ATOM 1099 CA ASN A 69 12.209 -11.702 6.418 1.00 24.02 C ATOM 1100 C ASN A 69 11.101 -10.681 6.065 1.00 45.35 C ATOM 1101 O ASN A 69 10.150 -11.005 5.352 1.00 31.11 O ATOM 1102 CB ASN A 69 11.657 -12.777 7.398 1.00 63.43 C ATOM 1103 CG ASN A 69 12.686 -13.861 7.754 1.00 61.04 C ATOM 1104 OD1 ASN A 69 13.560 -14.208 6.955 1.00 12.04 O ATOM 1105 ND2 ASN A 69 12.587 -14.406 8.957 1.00 1.03 N ATOM 0 H ASN A 69 13.363 -10.963 8.030 1.00 20.54 H new ATOM 0 HA ASN A 69 12.526 -12.192 5.497 1.00 24.02 H new ATOM 0 HB2 ASN A 69 11.324 -12.287 8.313 1.00 63.43 H new ATOM 0 HB3 ASN A 69 10.781 -13.249 6.952 1.00 63.43 H new ATOM 0 HD21 ASN A 69 13.243 -15.132 9.243 1.00 1.03 H new ATOM 0 HD22 ASN A 69 11.854 -14.099 9.597 1.00 1.03 H new ATOM 1112 N THR A 70 11.266 -9.449 6.554 1.00 2.03 N ATOM 1113 CA THR A 70 10.315 -8.342 6.373 1.00 64.13 C ATOM 1114 C THR A 70 10.782 -7.438 5.203 1.00 10.23 C ATOM 1115 O THR A 70 11.960 -7.463 4.845 1.00 73.35 O ATOM 1116 CB THR A 70 10.219 -7.516 7.700 1.00 32.53 C ATOM 1117 OG1 THR A 70 10.114 -8.412 8.822 1.00 1.30 O ATOM 1118 CG2 THR A 70 9.015 -6.571 7.714 1.00 3.44 C ATOM 0 H THR A 70 12.085 -9.184 7.101 1.00 2.03 H new ATOM 0 HA THR A 70 9.329 -8.740 6.133 1.00 64.13 H new ATOM 0 HB THR A 70 11.124 -6.912 7.767 1.00 32.53 H new ATOM 0 HG1 THR A 70 10.056 -7.893 9.651 1.00 1.30 H new ATOM 0 HG21 THR A 70 8.994 -6.022 8.655 1.00 3.44 H new ATOM 0 HG22 THR A 70 9.095 -5.867 6.885 1.00 3.44 H new ATOM 0 HG23 THR A 70 8.097 -7.150 7.611 1.00 3.44 H new ATOM 1126 N VAL A 71 9.854 -6.693 4.564 1.00 45.44 N ATOM 1127 CA VAL A 71 10.184 -5.739 3.472 1.00 51.13 C ATOM 1128 C VAL A 71 9.550 -4.357 3.757 1.00 14.12 C ATOM 1129 O VAL A 71 8.346 -4.259 3.938 1.00 31.44 O ATOM 1130 CB VAL A 71 9.688 -6.283 2.073 1.00 62.32 C ATOM 1131 CG1 VAL A 71 9.879 -5.239 0.951 1.00 5.12 C ATOM 1132 CG2 VAL A 71 10.399 -7.605 1.708 1.00 14.12 C ATOM 0 H VAL A 71 8.859 -6.732 4.786 1.00 45.44 H new ATOM 0 HA VAL A 71 11.268 -5.633 3.433 1.00 51.13 H new ATOM 0 HB VAL A 71 8.620 -6.479 2.166 1.00 62.32 H new ATOM 0 HG11 VAL A 71 9.526 -5.652 0.006 1.00 5.12 H new ATOM 0 HG12 VAL A 71 9.310 -4.340 1.190 1.00 5.12 H new ATOM 0 HG13 VAL A 71 10.936 -4.987 0.865 1.00 5.12 H new ATOM 0 HG21 VAL A 71 10.039 -7.957 0.741 1.00 14.12 H new ATOM 0 HG22 VAL A 71 11.475 -7.437 1.655 1.00 14.12 H new ATOM 0 HG23 VAL A 71 10.186 -8.355 2.469 1.00 14.12 H new ATOM 1142 N ASN A 72 10.384 -3.304 3.797 1.00 64.12 N ATOM 1143 CA ASN A 72 9.935 -1.903 3.937 1.00 62.54 C ATOM 1144 C ASN A 72 9.922 -1.224 2.560 1.00 74.03 C ATOM 1145 O ASN A 72 10.983 -1.041 1.945 1.00 52.41 O ATOM 1146 CB ASN A 72 10.874 -1.115 4.891 1.00 41.45 C ATOM 1147 CG ASN A 72 10.799 -1.589 6.338 1.00 12.53 C ATOM 1148 OD1 ASN A 72 10.011 -1.072 7.129 1.00 73.41 O ATOM 1149 ND2 ASN A 72 11.609 -2.572 6.703 1.00 52.30 N ATOM 0 H ASN A 72 11.398 -3.399 3.733 1.00 64.12 H new ATOM 0 HA ASN A 72 8.930 -1.905 4.359 1.00 62.54 H new ATOM 0 HB2 ASN A 72 11.901 -1.209 4.538 1.00 41.45 H new ATOM 0 HB3 ASN A 72 10.618 -0.056 4.849 1.00 41.45 H new ATOM 0 HD21 ASN A 72 11.590 -2.919 7.662 1.00 52.30 H new ATOM 0 HD22 ASN A 72 12.252 -2.981 6.025 1.00 52.30 H new ATOM 1156 N VAL A 73 8.725 -0.886 2.063 1.00 0.14 N ATOM 1157 CA VAL A 73 8.575 -0.074 0.850 1.00 14.20 C ATOM 1158 C VAL A 73 8.502 1.408 1.249 1.00 62.22 C ATOM 1159 O VAL A 73 7.490 1.872 1.793 1.00 23.32 O ATOM 1160 CB VAL A 73 7.310 -0.484 0.004 1.00 22.11 C ATOM 1161 CG1 VAL A 73 7.195 0.367 -1.289 1.00 22.11 C ATOM 1162 CG2 VAL A 73 7.345 -1.994 -0.323 1.00 12.05 C ATOM 0 H VAL A 73 7.840 -1.165 2.487 1.00 0.14 H new ATOM 0 HA VAL A 73 9.442 -0.249 0.213 1.00 14.20 H new ATOM 0 HB VAL A 73 6.422 -0.285 0.604 1.00 22.11 H new ATOM 0 HG11 VAL A 73 6.312 0.059 -1.850 1.00 22.11 H new ATOM 0 HG12 VAL A 73 7.108 1.421 -1.024 1.00 22.11 H new ATOM 0 HG13 VAL A 73 8.084 0.219 -1.902 1.00 22.11 H new ATOM 0 HG21 VAL A 73 6.464 -2.260 -0.908 1.00 12.05 H new ATOM 0 HG22 VAL A 73 8.244 -2.221 -0.897 1.00 12.05 H new ATOM 0 HG23 VAL A 73 7.352 -2.567 0.604 1.00 12.05 H new ATOM 1172 N THR A 74 9.603 2.123 1.009 1.00 11.23 N ATOM 1173 CA THR A 74 9.718 3.557 1.260 1.00 53.43 C ATOM 1174 C THR A 74 9.190 4.308 0.028 1.00 70.10 C ATOM 1175 O THR A 74 9.848 4.346 -1.017 1.00 3.24 O ATOM 1176 CB THR A 74 11.211 3.936 1.526 1.00 14.33 C ATOM 1177 OG1 THR A 74 11.754 3.056 2.516 1.00 74.42 O ATOM 1178 CG2 THR A 74 11.371 5.391 1.995 1.00 1.14 C ATOM 0 H THR A 74 10.455 1.712 0.627 1.00 11.23 H new ATOM 0 HA THR A 74 9.135 3.831 2.139 1.00 53.43 H new ATOM 0 HB THR A 74 11.749 3.834 0.583 1.00 14.33 H new ATOM 0 HG1 THR A 74 12.691 3.290 2.684 1.00 74.42 H new ATOM 0 HG21 THR A 74 12.426 5.604 2.166 1.00 1.14 H new ATOM 0 HG22 THR A 74 10.984 6.064 1.230 1.00 1.14 H new ATOM 0 HG23 THR A 74 10.816 5.538 2.922 1.00 1.14 H new ATOM 1186 N VAL A 75 7.989 4.871 0.147 1.00 13.13 N ATOM 1187 CA VAL A 75 7.295 5.521 -0.974 1.00 54.33 C ATOM 1188 C VAL A 75 6.867 6.949 -0.587 1.00 24.25 C ATOM 1189 O VAL A 75 6.246 7.167 0.454 1.00 54.02 O ATOM 1190 CB VAL A 75 6.070 4.653 -1.467 1.00 64.01 C ATOM 1191 CG1 VAL A 75 5.162 4.230 -0.298 1.00 2.52 C ATOM 1192 CG2 VAL A 75 5.266 5.367 -2.584 1.00 42.44 C ATOM 0 H VAL A 75 7.465 4.892 1.022 1.00 13.13 H new ATOM 0 HA VAL A 75 7.988 5.598 -1.812 1.00 54.33 H new ATOM 0 HB VAL A 75 6.483 3.743 -1.902 1.00 64.01 H new ATOM 0 HG11 VAL A 75 4.332 3.635 -0.679 1.00 2.52 H new ATOM 0 HG12 VAL A 75 5.737 3.637 0.413 1.00 2.52 H new ATOM 0 HG13 VAL A 75 4.773 5.118 0.201 1.00 2.52 H new ATOM 0 HG21 VAL A 75 4.433 4.735 -2.893 1.00 42.44 H new ATOM 0 HG22 VAL A 75 4.882 6.315 -2.207 1.00 42.44 H new ATOM 0 HG23 VAL A 75 5.917 5.554 -3.438 1.00 42.44 H new ATOM 1202 N GLU A 76 7.262 7.920 -1.426 1.00 14.43 N ATOM 1203 CA GLU A 76 6.866 9.324 -1.292 1.00 2.14 C ATOM 1204 C GLU A 76 5.519 9.547 -2.011 1.00 64.12 C ATOM 1205 O GLU A 76 5.388 9.225 -3.198 1.00 20.44 O ATOM 1206 CB GLU A 76 7.948 10.250 -1.905 1.00 62.24 C ATOM 1207 CG GLU A 76 7.630 11.752 -1.756 1.00 22.21 C ATOM 1208 CD GLU A 76 8.564 12.660 -2.571 1.00 74.04 C ATOM 1209 OE1 GLU A 76 8.277 12.895 -3.763 1.00 10.21 O ATOM 1210 OE2 GLU A 76 9.571 13.155 -2.022 1.00 23.22 O ATOM 0 H GLU A 76 7.872 7.746 -2.225 1.00 14.43 H new ATOM 0 HA GLU A 76 6.760 9.565 -0.234 1.00 2.14 H new ATOM 0 HB2 GLU A 76 8.906 10.041 -1.429 1.00 62.24 H new ATOM 0 HB3 GLU A 76 8.060 10.014 -2.963 1.00 62.24 H new ATOM 0 HG2 GLU A 76 6.601 11.930 -2.067 1.00 22.21 H new ATOM 0 HG3 GLU A 76 7.697 12.027 -0.703 1.00 22.21 H new ATOM 1217 N LEU A 77 4.522 10.060 -1.272 1.00 44.25 N ATOM 1218 CA LEU A 77 3.220 10.477 -1.826 1.00 3.24 C ATOM 1219 C LEU A 77 3.054 11.984 -1.586 1.00 64.04 C ATOM 1220 O LEU A 77 3.115 12.434 -0.442 1.00 35.35 O ATOM 1221 CB LEU A 77 2.024 9.708 -1.180 1.00 71.43 C ATOM 1222 CG LEU A 77 1.992 8.145 -1.347 1.00 42.04 C ATOM 1223 CD1 LEU A 77 3.010 7.436 -0.439 1.00 12.44 C ATOM 1224 CD2 LEU A 77 0.576 7.602 -1.098 1.00 62.44 C ATOM 0 H LEU A 77 4.596 10.199 -0.264 1.00 44.25 H new ATOM 0 HA LEU A 77 3.210 10.244 -2.891 1.00 3.24 H new ATOM 0 HB2 LEU A 77 2.016 9.933 -0.113 1.00 71.43 H new ATOM 0 HB3 LEU A 77 1.101 10.110 -1.597 1.00 71.43 H new ATOM 0 HG LEU A 77 2.278 7.930 -2.376 1.00 42.04 H new ATOM 0 HD11 LEU A 77 2.947 6.359 -0.593 1.00 12.44 H new ATOM 0 HD12 LEU A 77 4.016 7.779 -0.682 1.00 12.44 H new ATOM 0 HD13 LEU A 77 2.790 7.667 0.603 1.00 12.44 H new ATOM 0 HD21 LEU A 77 0.575 6.519 -1.218 1.00 62.44 H new ATOM 0 HD22 LEU A 77 0.262 7.855 -0.085 1.00 62.44 H new ATOM 0 HD23 LEU A 77 -0.115 8.047 -1.814 1.00 62.44 H new ATOM 1236 N GLU A 78 2.839 12.757 -2.661 1.00 44.51 N ATOM 1237 CA GLU A 78 2.684 14.223 -2.569 1.00 41.22 C ATOM 1238 C GLU A 78 1.202 14.541 -2.340 1.00 55.41 C ATOM 1239 O GLU A 78 0.380 14.360 -3.246 1.00 13.01 O ATOM 1240 CB GLU A 78 3.205 14.905 -3.854 1.00 61.25 C ATOM 1241 CG GLU A 78 3.300 16.431 -3.792 1.00 41.01 C ATOM 1242 CD GLU A 78 3.886 17.035 -5.077 1.00 52.50 C ATOM 1243 OE1 GLU A 78 5.125 17.074 -5.214 1.00 73.13 O ATOM 1244 OE2 GLU A 78 3.110 17.445 -5.970 1.00 64.30 O ATOM 0 H GLU A 78 2.768 12.392 -3.611 1.00 44.51 H new ATOM 0 HA GLU A 78 3.271 14.608 -1.735 1.00 41.22 H new ATOM 0 HB2 GLU A 78 4.193 14.505 -4.083 1.00 61.25 H new ATOM 0 HB3 GLU A 78 2.551 14.631 -4.682 1.00 61.25 H new ATOM 0 HG2 GLU A 78 2.308 16.847 -3.618 1.00 41.01 H new ATOM 0 HG3 GLU A 78 3.920 16.719 -2.943 1.00 41.01 H new ATOM 1251 N GLU A 79 0.868 14.971 -1.111 1.00 11.41 N ATOM 1252 CA GLU A 79 -0.519 15.172 -0.665 1.00 4.14 C ATOM 1253 C GLU A 79 -0.885 16.665 -0.688 1.00 22.22 C ATOM 1254 O GLU A 79 -0.156 17.506 -0.162 1.00 34.41 O ATOM 1255 CB GLU A 79 -0.715 14.571 0.754 1.00 51.01 C ATOM 1256 CG GLU A 79 -0.212 13.115 0.892 1.00 42.44 C ATOM 1257 CD GLU A 79 -0.615 12.453 2.214 1.00 13.35 C ATOM 1258 OE1 GLU A 79 -1.367 11.453 2.192 1.00 60.31 O ATOM 1259 OE2 GLU A 79 -0.203 12.951 3.286 1.00 64.23 O ATOM 0 H GLU A 79 1.560 15.190 -0.394 1.00 11.41 H new ATOM 0 HA GLU A 79 -1.188 14.655 -1.353 1.00 4.14 H new ATOM 0 HB2 GLU A 79 -0.192 15.196 1.478 1.00 51.01 H new ATOM 0 HB3 GLU A 79 -1.774 14.605 1.009 1.00 51.01 H new ATOM 0 HG2 GLU A 79 -0.603 12.524 0.064 1.00 42.44 H new ATOM 0 HG3 GLU A 79 0.875 13.104 0.806 1.00 42.44 H new ATOM 1266 N THR A 80 -2.035 16.960 -1.304 1.00 15.12 N ATOM 1267 CA THR A 80 -2.581 18.300 -1.463 1.00 12.52 C ATOM 1268 C THR A 80 -3.948 18.340 -0.762 1.00 60.14 C ATOM 1269 O THR A 80 -4.871 17.589 -1.126 1.00 1.12 O ATOM 1270 CB THR A 80 -2.751 18.661 -2.977 1.00 11.01 C ATOM 1271 OG1 THR A 80 -1.512 18.465 -3.676 1.00 41.52 O ATOM 1272 CG2 THR A 80 -3.219 20.114 -3.177 1.00 11.52 C ATOM 0 H THR A 80 -2.628 16.241 -1.719 1.00 15.12 H new ATOM 0 HA THR A 80 -1.899 19.027 -1.023 1.00 12.52 H new ATOM 0 HB THR A 80 -3.517 17.999 -3.379 1.00 11.01 H new ATOM 0 HG1 THR A 80 -1.631 18.692 -4.622 1.00 41.52 H new ATOM 0 HG21 THR A 80 -3.323 20.319 -4.242 1.00 11.52 H new ATOM 0 HG22 THR A 80 -4.180 20.258 -2.684 1.00 11.52 H new ATOM 0 HG23 THR A 80 -2.485 20.795 -2.746 1.00 11.52 H new ATOM 1280 N THR A 81 -4.050 19.188 0.258 1.00 74.13 N ATOM 1281 CA THR A 81 -5.266 19.368 1.052 1.00 61.24 C ATOM 1282 C THR A 81 -5.378 20.846 1.444 1.00 2.33 C ATOM 1283 O THR A 81 -4.373 21.469 1.824 1.00 71.44 O ATOM 1284 CB THR A 81 -5.265 18.424 2.309 1.00 1.23 C ATOM 1285 OG1 THR A 81 -6.470 18.596 3.068 1.00 23.42 O ATOM 1286 CG2 THR A 81 -4.034 18.642 3.217 1.00 74.44 C ATOM 0 H THR A 81 -3.278 19.780 0.563 1.00 74.13 H new ATOM 0 HA THR A 81 -6.139 19.091 0.462 1.00 61.24 H new ATOM 0 HB THR A 81 -5.213 17.402 1.933 1.00 1.23 H new ATOM 0 HG1 THR A 81 -6.454 18.000 3.846 1.00 23.42 H new ATOM 0 HG21 THR A 81 -4.086 17.964 4.069 1.00 74.44 H new ATOM 0 HG22 THR A 81 -3.124 18.444 2.650 1.00 74.44 H new ATOM 0 HG23 THR A 81 -4.023 19.672 3.573 1.00 74.44 H new ATOM 1294 N GLY A 82 -6.591 21.419 1.285 1.00 12.24 N ATOM 1295 CA GLY A 82 -6.837 22.846 1.540 1.00 71.33 C ATOM 1296 C GLY A 82 -5.970 23.778 0.693 1.00 1.53 C ATOM 1297 O GLY A 82 -5.632 24.888 1.127 1.00 40.13 O ATOM 0 H GLY A 82 -7.418 20.906 0.979 1.00 12.24 H new ATOM 0 HA2 GLY A 82 -7.887 23.065 1.347 1.00 71.33 H new ATOM 0 HA3 GLY A 82 -6.657 23.054 2.595 1.00 71.33 H new ATOM 1301 N GLY A 83 -5.583 23.298 -0.511 1.00 44.43 N ATOM 1302 CA GLY A 83 -4.687 24.025 -1.412 1.00 74.33 C ATOM 1303 C GLY A 83 -3.216 23.691 -1.188 1.00 54.10 C ATOM 1304 O GLY A 83 -2.439 23.629 -2.149 1.00 55.25 O ATOM 0 H GLY A 83 -5.888 22.396 -0.876 1.00 44.43 H new ATOM 0 HA2 GLY A 83 -4.953 23.795 -2.444 1.00 74.33 H new ATOM 0 HA3 GLY A 83 -4.835 25.096 -1.276 1.00 74.33 H new ATOM 1308 N THR A 84 -2.838 23.434 0.077 1.00 63.04 N ATOM 1309 CA THR A 84 -1.430 23.304 0.488 1.00 34.32 C ATOM 1310 C THR A 84 -0.904 21.888 0.182 1.00 35.43 C ATOM 1311 O THR A 84 -1.573 20.892 0.485 1.00 43.50 O ATOM 1312 CB THR A 84 -1.268 23.628 2.012 1.00 64.14 C ATOM 1313 OG1 THR A 84 -2.069 22.738 2.808 1.00 11.24 O ATOM 1314 CG2 THR A 84 -1.669 25.083 2.329 1.00 3.02 C ATOM 0 H THR A 84 -3.501 23.311 0.843 1.00 63.04 H new ATOM 0 HA THR A 84 -0.841 24.022 -0.082 1.00 34.32 H new ATOM 0 HB THR A 84 -0.214 23.493 2.257 1.00 64.14 H new ATOM 0 HG1 THR A 84 -2.724 22.287 2.235 1.00 11.24 H new ATOM 0 HG21 THR A 84 -1.544 25.271 3.395 1.00 3.02 H new ATOM 0 HG22 THR A 84 -1.036 25.766 1.763 1.00 3.02 H new ATOM 0 HG23 THR A 84 -2.711 25.241 2.053 1.00 3.02 H new ATOM 1322 N THR A 85 0.299 21.819 -0.409 1.00 23.14 N ATOM 1323 CA THR A 85 0.892 20.567 -0.905 1.00 13.51 C ATOM 1324 C THR A 85 2.213 20.268 -0.163 1.00 64.22 C ATOM 1325 O THR A 85 3.073 21.147 -0.044 1.00 25.44 O ATOM 1326 CB THR A 85 1.149 20.677 -2.442 1.00 12.23 C ATOM 1327 OG1 THR A 85 -0.051 21.134 -3.103 1.00 0.32 O ATOM 1328 CG2 THR A 85 1.582 19.341 -3.055 1.00 32.51 C ATOM 0 H THR A 85 0.892 22.636 -0.557 1.00 23.14 H new ATOM 0 HA THR A 85 0.198 19.748 -0.718 1.00 13.51 H new ATOM 0 HB THR A 85 1.961 21.390 -2.586 1.00 12.23 H new ATOM 0 HG1 THR A 85 -0.545 20.364 -3.453 1.00 0.32 H new ATOM 0 HG21 THR A 85 1.749 19.468 -4.125 1.00 32.51 H new ATOM 0 HG22 THR A 85 2.505 19.005 -2.581 1.00 32.51 H new ATOM 0 HG23 THR A 85 0.801 18.597 -2.896 1.00 32.51 H new ATOM 1336 N THR A 86 2.349 19.031 0.353 1.00 62.22 N ATOM 1337 CA THR A 86 3.558 18.559 1.047 1.00 51.12 C ATOM 1338 C THR A 86 3.803 17.070 0.711 1.00 52.51 C ATOM 1339 O THR A 86 2.862 16.268 0.694 1.00 52.23 O ATOM 1340 CB THR A 86 3.425 18.758 2.600 1.00 12.02 C ATOM 1341 OG1 THR A 86 3.183 20.150 2.893 1.00 63.14 O ATOM 1342 CG2 THR A 86 4.683 18.295 3.361 1.00 73.22 C ATOM 0 H THR A 86 1.614 18.326 0.298 1.00 62.22 H new ATOM 0 HA THR A 86 4.410 19.147 0.706 1.00 51.12 H new ATOM 0 HB THR A 86 2.588 18.144 2.933 1.00 12.02 H new ATOM 0 HG1 THR A 86 3.099 20.271 3.862 1.00 63.14 H new ATOM 0 HG21 THR A 86 4.541 18.454 4.430 1.00 73.22 H new ATOM 0 HG22 THR A 86 4.854 17.235 3.171 1.00 73.22 H new ATOM 0 HG23 THR A 86 5.545 18.868 3.021 1.00 73.22 H new ATOM 1350 N ASN A 87 5.072 16.718 0.429 1.00 44.12 N ATOM 1351 CA ASN A 87 5.489 15.336 0.121 1.00 43.01 C ATOM 1352 C ASN A 87 5.638 14.526 1.429 1.00 75.50 C ATOM 1353 O ASN A 87 6.590 14.734 2.197 1.00 31.23 O ATOM 1354 CB ASN A 87 6.816 15.346 -0.677 1.00 11.12 C ATOM 1355 CG ASN A 87 6.692 16.020 -2.049 1.00 75.01 C ATOM 1356 OD1 ASN A 87 6.851 17.234 -2.174 1.00 53.02 O ATOM 1357 ND2 ASN A 87 6.427 15.246 -3.091 1.00 41.44 N ATOM 0 H ASN A 87 5.841 17.388 0.408 1.00 44.12 H new ATOM 0 HA ASN A 87 4.725 14.859 -0.493 1.00 43.01 H new ATOM 0 HB2 ASN A 87 7.579 15.862 -0.094 1.00 11.12 H new ATOM 0 HB3 ASN A 87 7.158 14.320 -0.813 1.00 11.12 H new ATOM 0 HD21 ASN A 87 6.351 15.654 -4.023 1.00 41.44 H new ATOM 0 HD22 ASN A 87 6.299 14.242 -2.961 1.00 41.44 H new ATOM 1364 N THR A 88 4.664 13.643 1.680 1.00 72.42 N ATOM 1365 CA THR A 88 4.600 12.786 2.874 1.00 42.13 C ATOM 1366 C THR A 88 5.076 11.356 2.536 1.00 53.33 C ATOM 1367 O THR A 88 4.566 10.736 1.600 1.00 20.34 O ATOM 1368 CB THR A 88 3.134 12.740 3.406 1.00 1.44 C ATOM 1369 OG1 THR A 88 2.627 14.072 3.537 1.00 32.43 O ATOM 1370 CG2 THR A 88 3.014 12.020 4.755 1.00 62.51 C ATOM 0 H THR A 88 3.879 13.500 1.045 1.00 72.42 H new ATOM 0 HA THR A 88 5.254 13.201 3.641 1.00 42.13 H new ATOM 0 HB THR A 88 2.550 12.175 2.680 1.00 1.44 H new ATOM 0 HG1 THR A 88 1.648 14.054 3.507 1.00 32.43 H new ATOM 0 HG21 THR A 88 1.972 12.019 5.075 1.00 62.51 H new ATOM 0 HG22 THR A 88 3.363 10.993 4.651 1.00 62.51 H new ATOM 0 HG23 THR A 88 3.622 12.536 5.498 1.00 62.51 H new ATOM 1378 N THR A 89 6.048 10.843 3.301 1.00 50.52 N ATOM 1379 CA THR A 89 6.637 9.516 3.061 1.00 2.44 C ATOM 1380 C THR A 89 5.925 8.441 3.904 1.00 43.02 C ATOM 1381 O THR A 89 5.877 8.541 5.127 1.00 2.41 O ATOM 1382 CB THR A 89 8.159 9.523 3.405 1.00 40.21 C ATOM 1383 OG1 THR A 89 8.813 10.611 2.715 1.00 63.12 O ATOM 1384 CG2 THR A 89 8.845 8.189 3.031 1.00 22.03 C ATOM 0 H THR A 89 6.448 11.333 4.101 1.00 50.52 H new ATOM 0 HA THR A 89 6.509 9.279 2.005 1.00 2.44 H new ATOM 0 HB THR A 89 8.250 9.654 4.483 1.00 40.21 H new ATOM 0 HG1 THR A 89 9.768 10.612 2.936 1.00 63.12 H new ATOM 0 HG21 THR A 89 9.903 8.239 3.288 1.00 22.03 H new ATOM 0 HG22 THR A 89 8.377 7.372 3.580 1.00 22.03 H new ATOM 0 HG23 THR A 89 8.740 8.013 1.960 1.00 22.03 H new ATOM 1392 N TYR A 90 5.381 7.419 3.241 1.00 40.45 N ATOM 1393 CA TYR A 90 4.756 6.265 3.904 1.00 73.21 C ATOM 1394 C TYR A 90 5.688 5.040 3.792 1.00 32.21 C ATOM 1395 O TYR A 90 6.158 4.712 2.701 1.00 65.51 O ATOM 1396 CB TYR A 90 3.367 5.981 3.263 1.00 11.34 C ATOM 1397 CG TYR A 90 2.284 7.020 3.614 1.00 21.32 C ATOM 1398 CD1 TYR A 90 2.224 8.265 2.980 1.00 33.32 C ATOM 1399 CD2 TYR A 90 1.323 6.745 4.585 1.00 14.12 C ATOM 1400 CE1 TYR A 90 1.253 9.195 3.311 1.00 24.31 C ATOM 1401 CE2 TYR A 90 0.350 7.668 4.916 1.00 72.21 C ATOM 1402 CZ TYR A 90 0.314 8.890 4.280 1.00 11.33 C ATOM 1403 OH TYR A 90 -0.649 9.815 4.635 1.00 53.32 O ATOM 0 H TYR A 90 5.360 7.365 2.223 1.00 40.45 H new ATOM 0 HA TYR A 90 4.602 6.481 4.961 1.00 73.21 H new ATOM 0 HB2 TYR A 90 3.480 5.943 2.180 1.00 11.34 H new ATOM 0 HB3 TYR A 90 3.027 4.996 3.583 1.00 11.34 H new ATOM 0 HD1 TYR A 90 2.949 8.506 2.217 1.00 33.32 H new ATOM 0 HD2 TYR A 90 1.339 5.790 5.089 1.00 14.12 H new ATOM 0 HE1 TYR A 90 1.229 10.154 2.815 1.00 24.31 H new ATOM 0 HE2 TYR A 90 -0.383 7.432 5.673 1.00 72.21 H new ATOM 0 HH TYR A 90 -0.890 10.353 3.852 1.00 53.32 H new ATOM 1413 N GLU A 91 5.982 4.405 4.939 1.00 71.32 N ATOM 1414 CA GLU A 91 6.749 3.151 5.009 1.00 3.31 C ATOM 1415 C GLU A 91 5.756 2.002 5.206 1.00 12.20 C ATOM 1416 O GLU A 91 5.175 1.874 6.285 1.00 55.31 O ATOM 1417 CB GLU A 91 7.736 3.162 6.211 1.00 12.53 C ATOM 1418 CG GLU A 91 8.755 4.315 6.241 1.00 43.25 C ATOM 1419 CD GLU A 91 9.584 4.300 7.539 1.00 71.41 C ATOM 1420 OE1 GLU A 91 9.065 4.751 8.584 1.00 34.21 O ATOM 1421 OE2 GLU A 91 10.729 3.803 7.538 1.00 5.31 O ATOM 0 H GLU A 91 5.691 4.752 5.853 1.00 71.32 H new ATOM 0 HA GLU A 91 7.324 3.034 4.091 1.00 3.31 H new ATOM 0 HB2 GLU A 91 7.154 3.195 7.132 1.00 12.53 H new ATOM 0 HB3 GLU A 91 8.284 2.220 6.213 1.00 12.53 H new ATOM 0 HG2 GLU A 91 9.421 4.236 5.382 1.00 43.25 H new ATOM 0 HG3 GLU A 91 8.232 5.267 6.153 1.00 43.25 H new ATOM 1428 N LEU A 92 5.523 1.199 4.167 1.00 12.25 N ATOM 1429 CA LEU A 92 4.655 0.020 4.269 1.00 41.13 C ATOM 1430 C LEU A 92 5.540 -1.200 4.541 1.00 34.42 C ATOM 1431 O LEU A 92 6.283 -1.651 3.665 1.00 61.31 O ATOM 1432 CB LEU A 92 3.781 -0.155 2.999 1.00 31.33 C ATOM 1433 CG LEU A 92 2.664 0.928 2.781 1.00 54.15 C ATOM 1434 CD1 LEU A 92 3.252 2.295 2.399 1.00 15.21 C ATOM 1435 CD2 LEU A 92 1.618 0.460 1.752 1.00 74.50 C ATOM 0 H LEU A 92 5.924 1.343 3.240 1.00 12.25 H new ATOM 0 HA LEU A 92 3.952 0.143 5.093 1.00 41.13 H new ATOM 0 HB2 LEU A 92 4.436 -0.154 2.128 1.00 31.33 H new ATOM 0 HB3 LEU A 92 3.306 -1.135 3.040 1.00 31.33 H new ATOM 0 HG LEU A 92 2.155 1.055 3.736 1.00 54.15 H new ATOM 0 HD11 LEU A 92 2.443 3.012 2.258 1.00 15.21 H new ATOM 0 HD12 LEU A 92 3.911 2.643 3.194 1.00 15.21 H new ATOM 0 HD13 LEU A 92 3.819 2.201 1.473 1.00 15.21 H new ATOM 0 HD21 LEU A 92 0.860 1.233 1.626 1.00 74.50 H new ATOM 0 HD22 LEU A 92 2.107 0.272 0.796 1.00 74.50 H new ATOM 0 HD23 LEU A 92 1.145 -0.457 2.105 1.00 74.50 H new ATOM 1447 N ARG A 93 5.483 -1.687 5.786 1.00 23.22 N ATOM 1448 CA ARG A 93 6.338 -2.766 6.281 1.00 41.15 C ATOM 1449 C ARG A 93 5.567 -4.098 6.222 1.00 70.42 C ATOM 1450 O ARG A 93 4.741 -4.406 7.087 1.00 61.23 O ATOM 1451 CB ARG A 93 6.813 -2.417 7.723 1.00 64.11 C ATOM 1452 CG ARG A 93 7.957 -3.307 8.249 1.00 72.25 C ATOM 1453 CD ARG A 93 8.576 -2.785 9.558 1.00 1.32 C ATOM 1454 NE ARG A 93 9.841 -3.471 9.894 1.00 33.43 N ATOM 1455 CZ ARG A 93 10.863 -2.909 10.573 1.00 53.05 C ATOM 1456 NH1 ARG A 93 10.796 -1.650 11.008 1.00 33.14 N ATOM 1457 NH2 ARG A 93 11.962 -3.606 10.795 1.00 32.23 N ATOM 0 H ARG A 93 4.831 -1.335 6.487 1.00 23.22 H new ATOM 0 HA ARG A 93 7.225 -2.876 5.657 1.00 41.15 H new ATOM 0 HB2 ARG A 93 7.139 -1.377 7.743 1.00 64.11 H new ATOM 0 HB3 ARG A 93 5.964 -2.498 8.402 1.00 64.11 H new ATOM 0 HG2 ARG A 93 7.579 -4.317 8.410 1.00 72.25 H new ATOM 0 HG3 ARG A 93 8.735 -3.376 7.488 1.00 72.25 H new ATOM 0 HD2 ARG A 93 8.759 -1.714 9.469 1.00 1.32 H new ATOM 0 HD3 ARG A 93 7.865 -2.920 10.373 1.00 1.32 H new ATOM 0 HE ARG A 93 9.950 -4.439 9.591 1.00 33.43 H new ATOM 0 HH11 ARG A 93 9.961 -1.092 10.829 1.00 33.14 H new ATOM 0 HH12 ARG A 93 11.580 -1.245 11.519 1.00 33.14 H new ATOM 0 HH21 ARG A 93 12.036 -4.564 10.454 1.00 32.23 H new ATOM 0 HH22 ARG A 93 12.737 -3.186 11.308 1.00 32.23 H new ATOM 1471 N PHE A 94 5.856 -4.869 5.174 1.00 0.33 N ATOM 1472 CA PHE A 94 5.149 -6.105 4.833 1.00 13.15 C ATOM 1473 C PHE A 94 5.772 -7.314 5.554 1.00 22.45 C ATOM 1474 O PHE A 94 6.920 -7.684 5.284 1.00 34.32 O ATOM 1475 CB PHE A 94 5.199 -6.301 3.292 1.00 3.21 C ATOM 1476 CG PHE A 94 4.391 -5.265 2.513 1.00 54.04 C ATOM 1477 CD1 PHE A 94 4.990 -4.122 1.993 1.00 12.32 C ATOM 1478 CD2 PHE A 94 3.023 -5.448 2.297 1.00 31.12 C ATOM 1479 CE1 PHE A 94 4.249 -3.190 1.298 1.00 52.31 C ATOM 1480 CE2 PHE A 94 2.285 -4.513 1.602 1.00 5.25 C ATOM 1481 CZ PHE A 94 2.900 -3.389 1.094 1.00 3.12 C ATOM 0 H PHE A 94 6.608 -4.646 4.521 1.00 0.33 H new ATOM 0 HA PHE A 94 4.112 -6.029 5.160 1.00 13.15 H new ATOM 0 HB2 PHE A 94 6.237 -6.260 2.963 1.00 3.21 H new ATOM 0 HB3 PHE A 94 4.827 -7.296 3.049 1.00 3.21 H new ATOM 0 HD1 PHE A 94 6.049 -3.963 2.136 1.00 12.32 H new ATOM 0 HD2 PHE A 94 2.537 -6.333 2.679 1.00 31.12 H new ATOM 0 HE1 PHE A 94 4.727 -2.301 0.912 1.00 52.31 H new ATOM 0 HE2 PHE A 94 1.225 -4.662 1.456 1.00 5.25 H new ATOM 0 HZ PHE A 94 2.325 -2.664 0.536 1.00 3.12 H new ATOM 1491 N GLU A 95 5.009 -7.902 6.498 1.00 63.23 N ATOM 1492 CA GLU A 95 5.401 -9.138 7.198 1.00 41.32 C ATOM 1493 C GLU A 95 4.855 -10.350 6.423 1.00 1.20 C ATOM 1494 O GLU A 95 3.677 -10.378 6.047 1.00 72.23 O ATOM 1495 CB GLU A 95 4.867 -9.162 8.647 1.00 62.45 C ATOM 1496 CG GLU A 95 5.340 -10.377 9.480 1.00 13.23 C ATOM 1497 CD GLU A 95 4.612 -10.503 10.821 1.00 61.45 C ATOM 1498 OE1 GLU A 95 4.791 -9.622 11.687 1.00 45.40 O ATOM 1499 OE2 GLU A 95 3.848 -11.480 11.015 1.00 61.40 O ATOM 0 H GLU A 95 4.106 -7.533 6.795 1.00 63.23 H new ATOM 0 HA GLU A 95 6.489 -9.178 7.244 1.00 41.32 H new ATOM 0 HB2 GLU A 95 5.178 -8.247 9.152 1.00 62.45 H new ATOM 0 HB3 GLU A 95 3.777 -9.157 8.620 1.00 62.45 H new ATOM 0 HG2 GLU A 95 5.186 -11.288 8.902 1.00 13.23 H new ATOM 0 HG3 GLU A 95 6.411 -10.291 9.661 1.00 13.23 H new ATOM 1506 N VAL A 96 5.713 -11.356 6.238 1.00 23.11 N ATOM 1507 CA VAL A 96 5.456 -12.520 5.364 1.00 72.23 C ATOM 1508 C VAL A 96 5.112 -13.782 6.181 1.00 63.43 C ATOM 1509 O VAL A 96 5.488 -13.892 7.352 1.00 65.24 O ATOM 1510 CB VAL A 96 6.709 -12.810 4.457 1.00 41.50 C ATOM 1511 CG1 VAL A 96 7.096 -11.546 3.666 1.00 50.30 C ATOM 1512 CG2 VAL A 96 7.914 -13.338 5.281 1.00 61.31 C ATOM 0 H VAL A 96 6.624 -11.392 6.696 1.00 23.11 H new ATOM 0 HA VAL A 96 4.598 -12.273 4.738 1.00 72.23 H new ATOM 0 HB VAL A 96 6.435 -13.597 3.754 1.00 41.50 H new ATOM 0 HG11 VAL A 96 7.964 -11.759 3.042 1.00 50.30 H new ATOM 0 HG12 VAL A 96 6.261 -11.242 3.035 1.00 50.30 H new ATOM 0 HG13 VAL A 96 7.337 -10.742 4.361 1.00 50.30 H new ATOM 0 HG21 VAL A 96 8.756 -13.525 4.615 1.00 61.31 H new ATOM 0 HG22 VAL A 96 8.198 -12.595 6.026 1.00 61.31 H new ATOM 0 HG23 VAL A 96 7.634 -14.265 5.781 1.00 61.31 H new ATOM 1522 N ASP A 97 4.319 -14.675 5.576 1.00 10.33 N ATOM 1523 CA ASP A 97 4.171 -16.071 6.016 1.00 43.02 C ATOM 1524 C ASP A 97 4.381 -16.974 4.787 1.00 21.35 C ATOM 1525 O ASP A 97 3.511 -17.051 3.903 1.00 32.32 O ATOM 1526 CB ASP A 97 2.786 -16.311 6.668 1.00 11.11 C ATOM 1527 CG ASP A 97 2.620 -17.742 7.218 1.00 14.01 C ATOM 1528 OD1 ASP A 97 3.267 -18.071 8.238 1.00 1.43 O ATOM 1529 OD2 ASP A 97 1.845 -18.541 6.645 1.00 64.04 O ATOM 0 H ASP A 97 3.755 -14.447 4.757 1.00 10.33 H new ATOM 0 HA ASP A 97 4.912 -16.305 6.780 1.00 43.02 H new ATOM 0 HB2 ASP A 97 2.644 -15.597 7.479 1.00 11.11 H new ATOM 0 HB3 ASP A 97 2.005 -16.117 5.932 1.00 11.11 H new ATOM 1534 N GLY A 98 5.574 -17.593 4.714 1.00 3.22 N ATOM 1535 CA GLY A 98 5.959 -18.449 3.597 1.00 75.11 C ATOM 1536 C GLY A 98 6.362 -17.642 2.370 1.00 34.31 C ATOM 1537 O GLY A 98 7.443 -17.044 2.338 1.00 31.05 O ATOM 0 H GLY A 98 6.293 -17.508 5.433 1.00 3.22 H new ATOM 0 HA2 GLY A 98 6.789 -19.087 3.899 1.00 75.11 H new ATOM 0 HA3 GLY A 98 5.128 -19.106 3.341 1.00 75.11 H new ATOM 1541 N ASP A 99 5.475 -17.613 1.370 1.00 45.14 N ATOM 1542 CA ASP A 99 5.700 -16.925 0.073 1.00 51.33 C ATOM 1543 C ASP A 99 4.657 -15.810 -0.147 1.00 71.44 C ATOM 1544 O ASP A 99 4.777 -15.019 -1.091 1.00 23.45 O ATOM 1545 CB ASP A 99 5.631 -17.943 -1.101 1.00 52.00 C ATOM 1546 CG ASP A 99 6.650 -19.090 -0.976 1.00 63.34 C ATOM 1547 OD1 ASP A 99 7.727 -19.034 -1.612 1.00 42.24 O ATOM 1548 OD2 ASP A 99 6.379 -20.055 -0.228 1.00 34.50 O ATOM 0 H ASP A 99 4.565 -18.070 1.429 1.00 45.14 H new ATOM 0 HA ASP A 99 6.693 -16.476 0.101 1.00 51.33 H new ATOM 0 HB2 ASP A 99 4.626 -18.363 -1.149 1.00 52.00 H new ATOM 0 HB3 ASP A 99 5.802 -17.416 -2.040 1.00 52.00 H new ATOM 1553 N THR A 100 3.629 -15.771 0.715 1.00 23.11 N ATOM 1554 CA THR A 100 2.553 -14.762 0.658 1.00 55.12 C ATOM 1555 C THR A 100 2.683 -13.814 1.864 1.00 12.23 C ATOM 1556 O THR A 100 3.149 -14.212 2.937 1.00 22.25 O ATOM 1557 CB THR A 100 1.135 -15.444 0.625 1.00 34.12 C ATOM 1558 OG1 THR A 100 0.092 -14.458 0.513 1.00 74.11 O ATOM 1559 CG2 THR A 100 0.876 -16.311 1.869 1.00 43.41 C ATOM 0 H THR A 100 3.518 -16.441 1.476 1.00 23.11 H new ATOM 0 HA THR A 100 2.654 -14.186 -0.262 1.00 55.12 H new ATOM 0 HB THR A 100 1.126 -16.091 -0.252 1.00 34.12 H new ATOM 0 HG1 THR A 100 0.450 -13.650 0.089 1.00 74.11 H new ATOM 0 HG21 THR A 100 -0.115 -16.760 1.800 1.00 43.41 H new ATOM 0 HG22 THR A 100 1.628 -17.098 1.927 1.00 43.41 H new ATOM 0 HG23 THR A 100 0.931 -15.690 2.763 1.00 43.41 H new ATOM 1567 N ILE A 101 2.292 -12.554 1.662 1.00 74.31 N ATOM 1568 CA ILE A 101 2.350 -11.519 2.702 1.00 34.04 C ATOM 1569 C ILE A 101 1.002 -11.483 3.444 1.00 34.50 C ATOM 1570 O ILE A 101 -0.053 -11.699 2.839 1.00 12.44 O ATOM 1571 CB ILE A 101 2.676 -10.118 2.072 1.00 23.33 C ATOM 1572 CG1 ILE A 101 3.957 -10.196 1.181 1.00 65.35 C ATOM 1573 CG2 ILE A 101 2.830 -9.043 3.169 1.00 23.43 C ATOM 1574 CD1 ILE A 101 4.269 -8.927 0.399 1.00 15.41 C ATOM 0 H ILE A 101 1.925 -12.220 0.771 1.00 74.31 H new ATOM 0 HA ILE A 101 3.146 -11.756 3.408 1.00 34.04 H new ATOM 0 HB ILE A 101 1.839 -9.829 1.436 1.00 23.33 H new ATOM 0 HG12 ILE A 101 4.810 -10.434 1.816 1.00 65.35 H new ATOM 0 HG13 ILE A 101 3.844 -11.021 0.478 1.00 65.35 H new ATOM 0 HG21 ILE A 101 3.056 -8.082 2.707 1.00 23.43 H new ATOM 0 HG22 ILE A 101 1.902 -8.965 3.735 1.00 23.43 H new ATOM 0 HG23 ILE A 101 3.642 -9.322 3.841 1.00 23.43 H new ATOM 0 HD11 ILE A 101 5.174 -9.076 -0.190 1.00 15.41 H new ATOM 0 HD12 ILE A 101 3.437 -8.696 -0.267 1.00 15.41 H new ATOM 0 HD13 ILE A 101 4.419 -8.100 1.093 1.00 15.41 H new ATOM 1586 N ARG A 102 1.043 -11.215 4.761 1.00 3.24 N ATOM 1587 CA ARG A 102 -0.141 -11.288 5.647 1.00 11.30 C ATOM 1588 C ARG A 102 -0.383 -9.973 6.416 1.00 10.30 C ATOM 1589 O ARG A 102 -1.515 -9.701 6.835 1.00 60.23 O ATOM 1590 CB ARG A 102 0.043 -12.467 6.643 1.00 71.24 C ATOM 1591 CG ARG A 102 0.198 -13.853 5.981 1.00 41.23 C ATOM 1592 CD ARG A 102 -1.088 -14.338 5.286 1.00 22.12 C ATOM 1593 NE ARG A 102 -0.929 -15.660 4.656 1.00 64.11 N ATOM 1594 CZ ARG A 102 -0.784 -16.828 5.309 1.00 12.21 C ATOM 1595 NH1 ARG A 102 -0.794 -16.885 6.637 1.00 23.40 N ATOM 1596 NH2 ARG A 102 -0.626 -17.946 4.620 1.00 15.14 N ATOM 0 H ARG A 102 1.898 -10.941 5.246 1.00 3.24 H new ATOM 0 HA ARG A 102 -1.019 -11.453 5.023 1.00 11.30 H new ATOM 0 HB2 ARG A 102 0.923 -12.272 7.257 1.00 71.24 H new ATOM 0 HB3 ARG A 102 -0.815 -12.494 7.315 1.00 71.24 H new ATOM 0 HG2 ARG A 102 1.005 -13.812 5.250 1.00 41.23 H new ATOM 0 HG3 ARG A 102 0.491 -14.580 6.738 1.00 41.23 H new ATOM 0 HD2 ARG A 102 -1.896 -14.383 6.016 1.00 22.12 H new ATOM 0 HD3 ARG A 102 -1.383 -13.612 4.528 1.00 22.12 H new ATOM 0 HE ARG A 102 -0.929 -15.693 3.637 1.00 64.11 H new ATOM 0 HH11 ARG A 102 -0.913 -16.032 7.183 1.00 23.40 H new ATOM 0 HH12 ARG A 102 -0.682 -17.782 7.110 1.00 23.40 H new ATOM 0 HH21 ARG A 102 -0.615 -17.919 3.600 1.00 15.14 H new ATOM 0 HH22 ARG A 102 -0.516 -18.835 5.108 1.00 15.14 H new ATOM 1610 N ARG A 103 0.678 -9.173 6.637 1.00 20.44 N ATOM 1611 CA ARG A 103 0.579 -7.894 7.393 1.00 44.10 C ATOM 1612 C ARG A 103 1.231 -6.758 6.602 1.00 72.52 C ATOM 1613 O ARG A 103 2.110 -6.993 5.771 1.00 13.22 O ATOM 1614 CB ARG A 103 1.261 -7.955 8.800 1.00 22.14 C ATOM 1615 CG ARG A 103 0.638 -8.911 9.851 1.00 74.43 C ATOM 1616 CD ARG A 103 0.965 -10.397 9.607 1.00 71.33 C ATOM 1617 NE ARG A 103 0.413 -11.274 10.649 1.00 3.04 N ATOM 1618 CZ ARG A 103 -0.828 -11.783 10.659 1.00 50.33 C ATOM 1619 NH1 ARG A 103 -1.692 -11.527 9.676 1.00 14.51 N ATOM 1620 NH2 ARG A 103 -1.180 -12.592 11.646 1.00 65.34 N ATOM 0 H ARG A 103 1.619 -9.384 6.305 1.00 20.44 H new ATOM 0 HA ARG A 103 -0.487 -7.716 7.537 1.00 44.10 H new ATOM 0 HB2 ARG A 103 2.303 -8.243 8.658 1.00 22.14 H new ATOM 0 HB3 ARG A 103 1.262 -6.948 9.218 1.00 22.14 H new ATOM 0 HG2 ARG A 103 0.993 -8.628 10.842 1.00 74.43 H new ATOM 0 HG3 ARG A 103 -0.444 -8.781 9.851 1.00 74.43 H new ATOM 0 HD2 ARG A 103 0.570 -10.698 8.637 1.00 71.33 H new ATOM 0 HD3 ARG A 103 2.047 -10.525 9.564 1.00 71.33 H new ATOM 0 HE ARG A 103 1.024 -11.516 11.429 1.00 3.04 H new ATOM 0 HH11 ARG A 103 -1.414 -10.933 8.895 1.00 14.51 H new ATOM 0 HH12 ARG A 103 -2.631 -11.925 9.705 1.00 14.51 H new ATOM 0 HH21 ARG A 103 -0.512 -12.819 12.382 1.00 65.34 H new ATOM 0 HH22 ARG A 103 -2.120 -12.988 11.670 1.00 65.34 H new ATOM 1634 N VAL A 104 0.793 -5.522 6.909 1.00 1.25 N ATOM 1635 CA VAL A 104 1.366 -4.283 6.371 1.00 74.33 C ATOM 1636 C VAL A 104 1.279 -3.173 7.451 1.00 54.44 C ATOM 1637 O VAL A 104 0.185 -2.734 7.829 1.00 64.15 O ATOM 1638 CB VAL A 104 0.669 -3.846 5.020 1.00 34.42 C ATOM 1639 CG1 VAL A 104 -0.872 -3.754 5.140 1.00 23.12 C ATOM 1640 CG2 VAL A 104 1.274 -2.532 4.474 1.00 2.34 C ATOM 0 H VAL A 104 0.017 -5.359 7.550 1.00 1.25 H new ATOM 0 HA VAL A 104 2.413 -4.457 6.124 1.00 74.33 H new ATOM 0 HB VAL A 104 0.873 -4.636 4.298 1.00 34.42 H new ATOM 0 HG11 VAL A 104 -1.294 -3.450 4.182 1.00 23.12 H new ATOM 0 HG12 VAL A 104 -1.274 -4.727 5.421 1.00 23.12 H new ATOM 0 HG13 VAL A 104 -1.134 -3.020 5.902 1.00 23.12 H new ATOM 0 HG21 VAL A 104 0.773 -2.259 3.545 1.00 2.34 H new ATOM 0 HG22 VAL A 104 1.138 -1.737 5.207 1.00 2.34 H new ATOM 0 HG23 VAL A 104 2.338 -2.673 4.285 1.00 2.34 H new ATOM 1650 N THR A 105 2.442 -2.781 8.001 1.00 20.43 N ATOM 1651 CA THR A 105 2.544 -1.689 8.977 1.00 3.14 C ATOM 1652 C THR A 105 2.821 -0.382 8.227 1.00 2.12 C ATOM 1653 O THR A 105 3.936 -0.165 7.749 1.00 50.30 O ATOM 1654 CB THR A 105 3.690 -1.970 10.008 1.00 1.12 C ATOM 1655 OG1 THR A 105 3.493 -3.253 10.618 1.00 42.34 O ATOM 1656 CG2 THR A 105 3.774 -0.893 11.103 1.00 43.24 C ATOM 0 H THR A 105 3.338 -3.215 7.779 1.00 20.43 H new ATOM 0 HA THR A 105 1.607 -1.611 9.529 1.00 3.14 H new ATOM 0 HB THR A 105 4.629 -1.953 9.455 1.00 1.12 H new ATOM 0 HG1 THR A 105 4.213 -3.424 11.260 1.00 42.34 H new ATOM 0 HG21 THR A 105 4.584 -1.136 11.791 1.00 43.24 H new ATOM 0 HG22 THR A 105 3.965 0.077 10.645 1.00 43.24 H new ATOM 0 HG23 THR A 105 2.832 -0.856 11.650 1.00 43.24 H new ATOM 1664 N VAL A 106 1.802 0.473 8.111 1.00 21.23 N ATOM 1665 CA VAL A 106 1.903 1.739 7.377 1.00 34.43 C ATOM 1666 C VAL A 106 2.281 2.874 8.347 1.00 64.24 C ATOM 1667 O VAL A 106 1.456 3.304 9.163 1.00 10.11 O ATOM 1668 CB VAL A 106 0.564 2.085 6.631 1.00 11.52 C ATOM 1669 CG1 VAL A 106 0.712 3.381 5.808 1.00 61.14 C ATOM 1670 CG2 VAL A 106 0.097 0.907 5.738 1.00 71.11 C ATOM 0 H VAL A 106 0.883 0.308 8.523 1.00 21.23 H new ATOM 0 HA VAL A 106 2.681 1.631 6.622 1.00 34.43 H new ATOM 0 HB VAL A 106 -0.205 2.251 7.386 1.00 11.52 H new ATOM 0 HG11 VAL A 106 -0.228 3.599 5.301 1.00 61.14 H new ATOM 0 HG12 VAL A 106 0.966 4.207 6.472 1.00 61.14 H new ATOM 0 HG13 VAL A 106 1.502 3.254 5.068 1.00 61.14 H new ATOM 0 HG21 VAL A 106 -0.832 1.177 5.235 1.00 71.11 H new ATOM 0 HG22 VAL A 106 0.863 0.689 4.993 1.00 71.11 H new ATOM 0 HG23 VAL A 106 -0.069 0.025 6.357 1.00 71.11 H new ATOM 1680 N THR A 107 3.540 3.319 8.273 1.00 31.10 N ATOM 1681 CA THR A 107 4.060 4.417 9.093 1.00 25.11 C ATOM 1682 C THR A 107 4.096 5.714 8.267 1.00 3.40 C ATOM 1683 O THR A 107 4.832 5.812 7.284 1.00 33.52 O ATOM 1684 CB THR A 107 5.491 4.072 9.617 1.00 61.42 C ATOM 1685 OG1 THR A 107 5.453 2.804 10.290 1.00 44.20 O ATOM 1686 CG2 THR A 107 6.041 5.147 10.578 1.00 72.34 C ATOM 0 H THR A 107 4.232 2.923 7.637 1.00 31.10 H new ATOM 0 HA THR A 107 3.402 4.560 9.950 1.00 25.11 H new ATOM 0 HB THR A 107 6.158 4.033 8.756 1.00 61.42 H new ATOM 0 HG1 THR A 107 6.349 2.582 10.619 1.00 44.20 H new ATOM 0 HG21 THR A 107 7.038 4.860 10.913 1.00 72.34 H new ATOM 0 HG22 THR A 107 6.094 6.105 10.060 1.00 72.34 H new ATOM 0 HG23 THR A 107 5.380 5.237 11.440 1.00 72.34 H new ATOM 1694 N GLN A 108 3.269 6.687 8.660 1.00 42.41 N ATOM 1695 CA GLN A 108 3.238 8.015 8.035 1.00 41.24 C ATOM 1696 C GLN A 108 4.404 8.858 8.588 1.00 14.12 C ATOM 1697 O GLN A 108 4.558 8.987 9.807 1.00 63.01 O ATOM 1698 CB GLN A 108 1.882 8.705 8.331 1.00 25.04 C ATOM 1699 CG GLN A 108 1.679 10.048 7.602 1.00 75.45 C ATOM 1700 CD GLN A 108 0.367 10.749 7.960 1.00 75.21 C ATOM 1701 OE1 GLN A 108 -0.626 10.106 8.310 1.00 33.35 O ATOM 1702 NE2 GLN A 108 0.343 12.069 7.860 1.00 72.43 N ATOM 0 H GLN A 108 2.600 6.577 9.422 1.00 42.41 H new ATOM 0 HA GLN A 108 3.346 7.918 6.955 1.00 41.24 H new ATOM 0 HB2 GLN A 108 1.075 8.028 8.051 1.00 25.04 H new ATOM 0 HB3 GLN A 108 1.800 8.872 9.405 1.00 25.04 H new ATOM 0 HG2 GLN A 108 2.511 10.710 7.840 1.00 75.45 H new ATOM 0 HG3 GLN A 108 1.707 9.875 6.526 1.00 75.45 H new ATOM 0 HE21 GLN A 108 1.180 12.574 7.568 1.00 72.43 H new ATOM 0 HE22 GLN A 108 -0.512 12.581 8.075 1.00 72.43 H new ATOM 1711 N ASN A 109 5.223 9.417 7.686 1.00 41.04 N ATOM 1712 CA ASN A 109 6.433 10.192 8.045 1.00 41.40 C ATOM 1713 C ASN A 109 6.414 11.536 7.320 1.00 3.15 C ATOM 1714 O ASN A 109 5.928 11.633 6.189 1.00 22.51 O ATOM 1715 CB ASN A 109 7.735 9.423 7.684 1.00 62.43 C ATOM 1716 CG ASN A 109 7.852 8.070 8.384 1.00 65.42 C ATOM 1717 OD1 ASN A 109 8.368 7.971 9.500 1.00 34.24 O ATOM 1718 ND2 ASN A 109 7.354 7.025 7.749 1.00 64.02 N ATOM 0 H ASN A 109 5.069 9.347 6.680 1.00 41.04 H new ATOM 0 HA ASN A 109 6.424 10.349 9.124 1.00 41.40 H new ATOM 0 HB2 ASN A 109 7.771 9.270 6.605 1.00 62.43 H new ATOM 0 HB3 ASN A 109 8.596 10.037 7.948 1.00 62.43 H new ATOM 0 HD21 ASN A 109 7.389 6.102 8.181 1.00 64.02 H new ATOM 0 HD22 ASN A 109 6.934 7.141 6.827 1.00 64.02 H new