USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 662 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: B 12 HIS : no HE2:sc= -1.65 K(o=-3.5,f=-4.9) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.62 K(o=-3.5,f=-5.4!) USER MOD Set 1.3: B 40 CYS SG : rot 150:sc= 0.892 USER MOD Set 1.4: B 43 CYS SG : rot 79:sc= -1.11 USER MOD Set 2.1: A 12 HIS : no HE2:sc= -1.69 K(o=-3.6,f=-4.9) USER MOD Set 2.2: A 16 HIS : no HD1:sc= -1.64 K(o=-3.6,f=-5.5!) USER MOD Set 2.3: A 40 CYS SG : rot 150:sc= 0.891 USER MOD Set 2.4: A 43 CYS SG : rot 79:sc= -1.14 USER MOD Single : A 1 PHE N :NH3+ 146:sc= 1.43 (180deg=0.434) USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0146 (180deg=-0.268) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= -0.0792 (180deg=-0.673) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -70:sc= 0.993 USER MOD Single : A 18 ASN : amide:sc=-0.00296 K(o=-0.003,f=-1.6!) USER MOD Single : A 22 MET CE :methyl -144:sc= -3.95! (180deg=-5.45!) USER MOD Single : A 24 SER OG : rot 81:sc= 0.0038 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 34 LYS NZ :NH3+ 144:sc= -0.217 (180deg=-1.17!) USER MOD Single : A 39 SER OG : rot 61:sc= -1.26! USER MOD Single : A 42 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0425) USER MOD Single : A 44 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.3!) USER MOD Single : B 1 PHE N :NH3+ 142:sc= 1.41 (180deg=0.406) USER MOD Single : B 7 LYS NZ :NH3+ 163:sc= -0.0205 (180deg=-0.324) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 14 LYS NZ :NH3+ 139:sc= -0.0786 (180deg=-0.658) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -79:sc= 1 USER MOD Single : B 18 ASN : amide:sc=-0.00884 K(o=-0.0088,f=-1.5!) USER MOD Single : B 22 MET CE :methyl -150:sc= -3.98! (180deg=-5.55!) USER MOD Single : B 24 SER OG : rot 82:sc=0.000869 USER MOD Single : B 27 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 34 LYS NZ :NH3+ 156:sc= -0.148 (180deg=-1.1) USER MOD Single : B 39 SER OG : rot 37:sc= -1.33! USER MOD Single : B 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0699) USER MOD Single : B 44 GLN : amide:sc= -2.23! K(o=-2.2!,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.699 -3.587 24.571 1.00 0.00 N ATOM 2 CA PHE A 1 94.336 -4.321 25.815 1.00 0.00 C ATOM 3 C PHE A 1 93.872 -3.323 26.880 1.00 0.00 C ATOM 4 O PHE A 1 92.729 -2.910 26.909 1.00 0.00 O ATOM 5 CB PHE A 1 95.561 -5.080 26.342 1.00 0.00 C ATOM 6 CG PHE A 1 95.833 -6.292 25.480 1.00 0.00 C ATOM 7 CD1 PHE A 1 95.150 -7.490 25.717 1.00 0.00 C ATOM 8 CD2 PHE A 1 96.779 -6.217 24.451 1.00 0.00 C ATOM 9 CE1 PHE A 1 95.410 -8.614 24.923 1.00 0.00 C ATOM 10 CE2 PHE A 1 97.041 -7.340 23.658 1.00 0.00 C ATOM 11 CZ PHE A 1 96.357 -8.539 23.894 1.00 0.00 C ATOM 0 H1 PHE A 1 95.491 -4.071 24.101 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.880 -3.562 23.931 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.981 -2.615 24.811 1.00 0.00 H new ATOM 0 HA PHE A 1 93.534 -5.026 25.594 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.431 -4.424 26.345 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.391 -5.389 27.373 1.00 0.00 H new ATOM 0 HD1 PHE A 1 94.422 -7.548 26.513 1.00 0.00 H new ATOM 0 HD2 PHE A 1 97.307 -5.292 24.269 1.00 0.00 H new ATOM 0 HE1 PHE A 1 94.881 -9.538 25.104 1.00 0.00 H new ATOM 0 HE2 PHE A 1 97.771 -7.282 22.864 1.00 0.00 H new ATOM 0 HZ PHE A 1 96.560 -9.406 23.282 1.00 0.00 H new ATOM 23 N LEU A 2 94.756 -2.948 27.763 1.00 0.00 N ATOM 24 CA LEU A 2 94.392 -1.989 28.847 1.00 0.00 C ATOM 25 C LEU A 2 93.944 -0.651 28.252 1.00 0.00 C ATOM 26 O LEU A 2 93.020 -0.028 28.733 1.00 0.00 O ATOM 27 CB LEU A 2 95.620 -1.758 29.734 1.00 0.00 C ATOM 28 CG LEU A 2 96.030 -3.073 30.418 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.479 -2.971 30.900 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.126 -3.354 31.627 1.00 0.00 C ATOM 0 H LEU A 2 95.725 -3.268 27.781 1.00 0.00 H new ATOM 0 HA LEU A 2 93.571 -2.405 29.431 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.446 -1.378 29.133 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.398 -1.001 30.486 1.00 0.00 H new ATOM 0 HG LEU A 2 95.930 -3.884 29.696 1.00 0.00 H new ATOM 0 HD11 LEU A 2 97.768 -3.904 31.384 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.134 -2.787 30.048 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.569 -2.150 31.611 1.00 0.00 H new ATOM 0 HD21 LEU A 2 95.430 -4.288 32.099 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.215 -2.539 32.345 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.091 -3.435 31.296 1.00 0.00 H new ATOM 42 N ASP A 3 94.602 -0.195 27.224 1.00 0.00 N ATOM 43 CA ASP A 3 94.222 1.115 26.616 1.00 0.00 C ATOM 44 C ASP A 3 92.791 1.064 26.088 1.00 0.00 C ATOM 45 O ASP A 3 91.982 1.928 26.363 1.00 0.00 O ATOM 46 CB ASP A 3 95.165 1.416 25.457 1.00 0.00 C ATOM 47 CG ASP A 3 95.277 0.190 24.547 1.00 0.00 C ATOM 48 OD1 ASP A 3 95.419 -0.903 25.070 1.00 0.00 O ATOM 49 OD2 ASP A 3 95.221 0.365 23.342 1.00 0.00 O ATOM 0 H ASP A 3 95.386 -0.670 26.777 1.00 0.00 H new ATOM 0 HA ASP A 3 94.292 1.892 27.378 1.00 0.00 H new ATOM 0 HB2 ASP A 3 94.796 2.270 24.888 1.00 0.00 H new ATOM 0 HB3 ASP A 3 96.149 1.688 25.838 1.00 0.00 H new ATOM 54 N GLY A 4 92.476 0.061 25.329 1.00 0.00 N ATOM 55 CA GLY A 4 91.099 -0.047 24.773 1.00 0.00 C ATOM 56 C GLY A 4 90.095 -0.059 25.926 1.00 0.00 C ATOM 57 O GLY A 4 89.028 0.515 25.843 1.00 0.00 O ATOM 0 H GLY A 4 93.111 -0.693 25.066 1.00 0.00 H new ATOM 0 HA2 GLY A 4 90.896 0.791 24.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 91.003 -0.957 24.181 1.00 0.00 H new ATOM 61 N ILE A 5 90.435 -0.711 27.003 1.00 0.00 N ATOM 62 CA ILE A 5 89.511 -0.769 28.169 1.00 0.00 C ATOM 63 C ILE A 5 89.311 0.631 28.763 1.00 0.00 C ATOM 64 O ILE A 5 88.222 0.987 29.170 1.00 0.00 O ATOM 65 CB ILE A 5 90.100 -1.707 29.234 1.00 0.00 C ATOM 66 CG1 ILE A 5 89.966 -3.158 28.759 1.00 0.00 C ATOM 67 CG2 ILE A 5 89.357 -1.527 30.565 1.00 0.00 C ATOM 68 CD1 ILE A 5 90.786 -4.074 29.668 1.00 0.00 C ATOM 0 H ILE A 5 91.317 -1.208 27.126 1.00 0.00 H new ATOM 0 HA ILE A 5 88.543 -1.147 27.840 1.00 0.00 H new ATOM 0 HB ILE A 5 91.152 -1.466 29.384 1.00 0.00 H new ATOM 0 HG12 ILE A 5 88.919 -3.460 28.771 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.311 -3.247 27.729 1.00 0.00 H new ATOM 0 HG21 ILE A 5 89.782 -2.196 31.313 1.00 0.00 H new ATOM 0 HG22 ILE A 5 89.459 -0.495 30.902 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.301 -1.761 30.427 1.00 0.00 H new ATOM 0 HD11 ILE A 5 90.689 -5.105 29.328 1.00 0.00 H new ATOM 0 HD12 ILE A 5 91.834 -3.777 29.633 1.00 0.00 H new ATOM 0 HD13 ILE A 5 90.420 -3.993 30.692 1.00 0.00 H new ATOM 80 N ASP A 6 90.344 1.420 28.841 1.00 0.00 N ATOM 81 CA ASP A 6 90.184 2.777 29.438 1.00 0.00 C ATOM 82 C ASP A 6 89.164 3.585 28.637 1.00 0.00 C ATOM 83 O ASP A 6 88.335 4.275 29.196 1.00 0.00 O ATOM 84 CB ASP A 6 91.530 3.504 29.436 1.00 0.00 C ATOM 85 CG ASP A 6 92.467 2.848 30.452 1.00 0.00 C ATOM 86 OD1 ASP A 6 92.010 2.555 31.546 1.00 0.00 O ATOM 87 OD2 ASP A 6 93.623 2.650 30.120 1.00 0.00 O ATOM 0 H ASP A 6 91.285 1.189 28.521 1.00 0.00 H new ATOM 0 HA ASP A 6 89.830 2.673 30.464 1.00 0.00 H new ATOM 0 HB2 ASP A 6 91.973 3.468 28.441 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.387 4.556 29.683 1.00 0.00 H new ATOM 92 N LYS A 7 89.202 3.501 27.337 1.00 0.00 N ATOM 93 CA LYS A 7 88.208 4.266 26.531 1.00 0.00 C ATOM 94 C LYS A 7 86.829 3.644 26.737 1.00 0.00 C ATOM 95 O LYS A 7 85.834 4.329 26.857 1.00 0.00 O ATOM 96 CB LYS A 7 88.573 4.187 25.046 1.00 0.00 C ATOM 97 CG LYS A 7 89.844 4.995 24.774 1.00 0.00 C ATOM 98 CD LYS A 7 90.192 4.904 23.286 1.00 0.00 C ATOM 99 CE LYS A 7 91.461 5.708 23.004 1.00 0.00 C ATOM 100 NZ LYS A 7 92.628 5.043 23.648 1.00 0.00 N ATOM 0 H LYS A 7 89.868 2.944 26.802 1.00 0.00 H new ATOM 0 HA LYS A 7 88.206 5.309 26.847 1.00 0.00 H new ATOM 0 HB2 LYS A 7 88.724 3.147 24.755 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.752 4.571 24.441 1.00 0.00 H new ATOM 0 HG2 LYS A 7 89.696 6.036 25.062 1.00 0.00 H new ATOM 0 HG3 LYS A 7 90.668 4.612 25.376 1.00 0.00 H new ATOM 0 HD2 LYS A 7 90.339 3.862 23.000 1.00 0.00 H new ATOM 0 HD3 LYS A 7 89.367 5.286 22.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 91.622 5.787 21.929 1.00 0.00 H new ATOM 0 HE3 LYS A 7 91.352 6.723 23.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 93.509 5.408 23.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 92.620 5.240 24.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 92.571 4.016 23.493 1.00 0.00 H new ATOM 114 N ALA A 8 86.774 2.342 26.785 1.00 0.00 N ATOM 115 CA ALA A 8 85.477 1.642 26.991 1.00 0.00 C ATOM 116 C ALA A 8 84.987 1.854 28.426 1.00 0.00 C ATOM 117 O ALA A 8 83.804 1.805 28.700 1.00 0.00 O ATOM 118 CB ALA A 8 85.658 0.148 26.726 1.00 0.00 C ATOM 0 H ALA A 8 87.582 1.727 26.689 1.00 0.00 H new ATOM 0 HA ALA A 8 84.738 2.049 26.301 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.709 -0.366 26.877 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.993 -0.002 25.699 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.402 -0.256 27.413 1.00 0.00 H new ATOM 124 N GLN A 9 85.885 2.066 29.349 1.00 0.00 N ATOM 125 CA GLN A 9 85.462 2.254 30.766 1.00 0.00 C ATOM 126 C GLN A 9 84.566 3.489 30.878 1.00 0.00 C ATOM 127 O GLN A 9 84.924 4.573 30.461 1.00 0.00 O ATOM 128 CB GLN A 9 86.701 2.432 31.648 1.00 0.00 C ATOM 129 CG GLN A 9 86.291 2.399 33.122 1.00 0.00 C ATOM 130 CD GLN A 9 87.535 2.552 34.004 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.390 3.371 33.733 1.00 0.00 O ATOM 132 NE2 GLN A 9 87.671 1.789 35.054 1.00 0.00 N ATOM 0 H GLN A 9 86.890 2.117 29.184 1.00 0.00 H new ATOM 0 HA GLN A 9 84.905 1.378 31.097 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.422 1.641 31.443 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.191 3.378 31.417 1.00 0.00 H new ATOM 0 HG2 GLN A 9 85.583 3.201 33.331 1.00 0.00 H new ATOM 0 HG3 GLN A 9 85.785 1.460 33.349 1.00 0.00 H new ATOM 0 HE21 GLN A 9 86.953 1.101 35.281 1.00 0.00 H new ATOM 0 HE22 GLN A 9 88.496 1.880 35.647 1.00 0.00 H new ATOM 141 N GLU A 10 83.397 3.327 31.443 1.00 0.00 N ATOM 142 CA GLU A 10 82.453 4.477 31.594 1.00 0.00 C ATOM 143 C GLU A 10 81.627 4.285 32.870 1.00 0.00 C ATOM 144 O GLU A 10 81.964 3.492 33.727 1.00 0.00 O ATOM 145 CB GLU A 10 81.509 4.545 30.386 1.00 0.00 C ATOM 146 CG GLU A 10 82.284 4.978 29.139 1.00 0.00 C ATOM 147 CD GLU A 10 81.324 5.067 27.948 1.00 0.00 C ATOM 148 OE1 GLU A 10 80.607 4.108 27.717 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.325 6.094 27.287 1.00 0.00 O ATOM 0 H GLU A 10 83.053 2.440 31.810 1.00 0.00 H new ATOM 0 HA GLU A 10 83.023 5.404 31.654 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.049 3.571 30.218 1.00 0.00 H new ATOM 0 HB3 GLU A 10 80.701 5.249 30.585 1.00 0.00 H new ATOM 0 HG2 GLU A 10 82.759 5.944 29.310 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.080 4.264 28.926 1.00 0.00 H new ATOM 156 N GLU A 11 80.547 5.007 33.003 1.00 0.00 N ATOM 157 CA GLU A 11 79.697 4.869 34.221 1.00 0.00 C ATOM 158 C GLU A 11 78.892 3.569 34.145 1.00 0.00 C ATOM 159 O GLU A 11 78.684 3.015 33.085 1.00 0.00 O ATOM 160 CB GLU A 11 78.734 6.055 34.316 1.00 0.00 C ATOM 161 CG GLU A 11 79.513 7.330 34.652 1.00 0.00 C ATOM 162 CD GLU A 11 80.358 7.751 33.450 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.074 7.289 32.358 1.00 0.00 O ATOM 164 OE2 GLU A 11 81.277 8.530 33.643 1.00 0.00 O ATOM 0 H GLU A 11 80.216 5.688 32.319 1.00 0.00 H new ATOM 0 HA GLU A 11 80.338 4.849 35.102 1.00 0.00 H new ATOM 0 HB2 GLU A 11 78.203 6.180 33.372 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.982 5.865 35.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.822 8.129 34.921 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.154 7.159 35.517 1.00 0.00 H new ATOM 171 N HIS A 12 78.444 3.076 35.268 1.00 0.00 N ATOM 172 CA HIS A 12 77.659 1.809 35.267 1.00 0.00 C ATOM 173 C HIS A 12 76.244 2.084 34.755 1.00 0.00 C ATOM 174 O HIS A 12 75.300 2.162 35.515 1.00 0.00 O ATOM 175 CB HIS A 12 77.597 1.255 36.693 1.00 0.00 C ATOM 176 CG HIS A 12 76.825 -0.036 36.709 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.428 -1.264 36.464 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.502 -0.310 36.956 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.475 -2.213 36.573 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.287 -1.681 36.870 1.00 0.00 N ATOM 0 H HIS A 12 78.588 3.496 36.186 1.00 0.00 H new ATOM 0 HA HIS A 12 78.138 1.079 34.614 1.00 0.00 H new ATOM 0 HB2 HIS A 12 78.605 1.090 37.072 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.123 1.981 37.354 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.411 -1.419 36.242 1.00 0.00 H new ATOM 0 HD2 HIS A 12 74.745 0.426 37.182 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.651 -3.270 36.437 1.00 0.00 H new ATOM 188 N GLU A 13 76.093 2.232 33.462 1.00 0.00 N ATOM 189 CA GLU A 13 74.746 2.504 32.874 1.00 0.00 C ATOM 190 C GLU A 13 74.169 1.208 32.289 1.00 0.00 C ATOM 191 O GLU A 13 74.538 0.119 32.682 1.00 0.00 O ATOM 192 CB GLU A 13 74.886 3.551 31.765 1.00 0.00 C ATOM 193 CG GLU A 13 75.310 4.888 32.378 1.00 0.00 C ATOM 194 CD GLU A 13 75.447 5.936 31.272 1.00 0.00 C ATOM 195 OE1 GLU A 13 76.406 5.858 30.523 1.00 0.00 O ATOM 196 OE2 GLU A 13 74.589 6.801 31.196 1.00 0.00 O ATOM 0 H GLU A 13 76.852 2.175 32.783 1.00 0.00 H new ATOM 0 HA GLU A 13 74.075 2.877 33.648 1.00 0.00 H new ATOM 0 HB2 GLU A 13 75.624 3.224 31.032 1.00 0.00 H new ATOM 0 HB3 GLU A 13 73.940 3.665 31.236 1.00 0.00 H new ATOM 0 HG2 GLU A 13 74.573 5.213 33.113 1.00 0.00 H new ATOM 0 HG3 GLU A 13 76.257 4.774 32.905 1.00 0.00 H new ATOM 203 N LYS A 14 73.265 1.319 31.351 1.00 0.00 N ATOM 204 CA LYS A 14 72.659 0.103 30.737 1.00 0.00 C ATOM 205 C LYS A 14 73.713 -0.613 29.893 1.00 0.00 C ATOM 206 O LYS A 14 73.691 -1.818 29.739 1.00 0.00 O ATOM 207 CB LYS A 14 71.495 0.519 29.833 1.00 0.00 C ATOM 208 CG LYS A 14 70.338 1.040 30.686 1.00 0.00 C ATOM 209 CD LYS A 14 69.178 1.455 29.777 1.00 0.00 C ATOM 210 CE LYS A 14 68.018 1.977 30.628 1.00 0.00 C ATOM 211 NZ LYS A 14 68.485 3.134 31.445 1.00 0.00 N ATOM 0 H LYS A 14 72.919 2.205 30.983 1.00 0.00 H new ATOM 0 HA LYS A 14 72.298 -0.562 31.522 1.00 0.00 H new ATOM 0 HB2 LYS A 14 71.822 1.291 29.136 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.165 -0.331 29.236 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.010 0.268 31.382 1.00 0.00 H new ATOM 0 HG3 LYS A 14 70.667 1.890 31.284 1.00 0.00 H new ATOM 0 HD2 LYS A 14 69.507 2.226 29.081 1.00 0.00 H new ATOM 0 HD3 LYS A 14 68.849 0.605 29.179 1.00 0.00 H new ATOM 0 HE2 LYS A 14 67.190 2.281 29.987 1.00 0.00 H new ATOM 0 HE3 LYS A 14 67.644 1.186 31.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.664 3.685 31.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 69.014 2.786 32.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 69.103 3.740 30.868 1.00 0.00 H new ATOM 225 N TYR A 15 74.634 0.125 29.340 1.00 0.00 N ATOM 226 CA TYR A 15 75.691 -0.497 28.497 1.00 0.00 C ATOM 227 C TYR A 15 76.478 -1.500 29.338 1.00 0.00 C ATOM 228 O TYR A 15 76.839 -2.561 28.870 1.00 0.00 O ATOM 229 CB TYR A 15 76.629 0.591 27.966 1.00 0.00 C ATOM 230 CG TYR A 15 75.954 1.316 26.825 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.003 0.786 25.529 1.00 0.00 C ATOM 232 CD2 TYR A 15 75.270 2.513 27.066 1.00 0.00 C ATOM 233 CE1 TYR A 15 75.371 1.454 24.475 1.00 0.00 C ATOM 234 CE2 TYR A 15 74.636 3.182 26.013 1.00 0.00 C ATOM 235 CZ TYR A 15 74.686 2.653 24.718 1.00 0.00 C ATOM 236 OH TYR A 15 74.060 3.312 23.679 1.00 0.00 O ATOM 0 H TYR A 15 74.700 1.138 29.437 1.00 0.00 H new ATOM 0 HA TYR A 15 75.234 -1.014 27.653 1.00 0.00 H new ATOM 0 HB2 TYR A 15 76.878 1.293 28.762 1.00 0.00 H new ATOM 0 HB3 TYR A 15 77.565 0.147 27.627 1.00 0.00 H new ATOM 0 HD1 TYR A 15 76.529 -0.139 25.344 1.00 0.00 H new ATOM 0 HD2 TYR A 15 75.231 2.921 28.065 1.00 0.00 H new ATOM 0 HE1 TYR A 15 75.411 1.047 23.475 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.109 4.106 26.199 1.00 0.00 H new ATOM 0 HH TYR A 15 73.631 4.125 24.018 1.00 0.00 H new ATOM 246 N HIS A 16 76.742 -1.188 30.578 1.00 0.00 N ATOM 247 CA HIS A 16 77.499 -2.151 31.424 1.00 0.00 C ATOM 248 C HIS A 16 76.703 -3.455 31.503 1.00 0.00 C ATOM 249 O HIS A 16 77.261 -4.534 31.441 1.00 0.00 O ATOM 250 CB HIS A 16 77.683 -1.574 32.839 1.00 0.00 C ATOM 251 CG HIS A 16 78.895 -0.680 32.891 1.00 0.00 C ATOM 252 ND1 HIS A 16 79.702 -0.593 34.022 1.00 0.00 N ATOM 253 CD2 HIS A 16 79.451 0.174 31.969 1.00 0.00 C ATOM 254 CE1 HIS A 16 80.687 0.284 33.752 1.00 0.00 C ATOM 255 NE2 HIS A 16 80.580 0.777 32.516 1.00 0.00 N ATOM 0 H HIS A 16 76.470 -0.319 31.037 1.00 0.00 H new ATOM 0 HA HIS A 16 78.481 -2.334 30.989 1.00 0.00 H new ATOM 0 HB2 HIS A 16 76.795 -1.010 33.126 1.00 0.00 H new ATOM 0 HB3 HIS A 16 77.792 -2.386 33.558 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.071 0.350 30.974 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.467 0.555 34.449 1.00 0.00 H new ATOM 0 HE2 HIS A 16 81.197 1.454 32.067 1.00 0.00 H new ATOM 263 N SER A 17 75.406 -3.376 31.622 1.00 0.00 N ATOM 264 CA SER A 17 74.605 -4.628 31.683 1.00 0.00 C ATOM 265 C SER A 17 74.683 -5.322 30.322 1.00 0.00 C ATOM 266 O SER A 17 74.805 -6.528 30.233 1.00 0.00 O ATOM 267 CB SER A 17 73.148 -4.290 31.998 1.00 0.00 C ATOM 268 OG SER A 17 72.552 -3.673 30.865 1.00 0.00 O ATOM 0 H SER A 17 74.872 -2.509 31.679 1.00 0.00 H new ATOM 0 HA SER A 17 74.996 -5.283 32.462 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.602 -5.196 32.262 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.096 -3.623 32.859 1.00 0.00 H new ATOM 0 HG SER A 17 72.931 -2.778 30.743 1.00 0.00 H new ATOM 274 N ASN A 18 74.630 -4.563 29.257 1.00 0.00 N ATOM 275 CA ASN A 18 74.714 -5.166 27.894 1.00 0.00 C ATOM 276 C ASN A 18 76.170 -5.137 27.422 1.00 0.00 C ATOM 277 O ASN A 18 76.569 -4.274 26.664 1.00 0.00 O ATOM 278 CB ASN A 18 73.846 -4.354 26.927 1.00 0.00 C ATOM 279 CG ASN A 18 72.371 -4.539 27.288 1.00 0.00 C ATOM 280 OD1 ASN A 18 71.993 -5.546 27.851 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.516 -3.599 26.991 1.00 0.00 N ATOM 0 H ASN A 18 74.532 -3.548 29.274 1.00 0.00 H new ATOM 0 HA ASN A 18 74.359 -6.196 27.922 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.115 -3.299 26.979 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.024 -4.678 25.902 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.531 -3.711 27.232 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.833 -2.753 26.518 1.00 0.00 H new ATOM 288 N TRP A 19 76.968 -6.071 27.860 1.00 0.00 N ATOM 289 CA TRP A 19 78.397 -6.093 27.434 1.00 0.00 C ATOM 290 C TRP A 19 78.488 -6.475 25.956 1.00 0.00 C ATOM 291 O TRP A 19 79.421 -6.114 25.267 1.00 0.00 O ATOM 292 CB TRP A 19 79.184 -7.103 28.277 1.00 0.00 C ATOM 293 CG TRP A 19 78.674 -8.484 28.030 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.762 -9.122 28.798 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.032 -9.411 26.962 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.537 -10.380 28.273 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.296 -10.605 27.139 1.00 0.00 C ATOM 298 CE3 TRP A 19 79.914 -9.331 25.867 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.429 -11.684 26.264 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.049 -10.414 24.985 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.308 -11.589 25.183 1.00 0.00 C ATOM 0 H TRP A 19 76.693 -6.821 28.495 1.00 0.00 H new ATOM 0 HA TRP A 19 78.825 -5.101 27.579 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.244 -7.048 28.029 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.091 -6.856 29.335 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.287 -8.715 29.678 1.00 0.00 H new ATOM 0 HE1 TRP A 19 76.890 -11.060 28.673 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.489 -8.431 25.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 77.856 -12.586 26.422 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 80.728 -10.343 24.148 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.417 -12.419 24.500 1.00 0.00 H new ATOM 312 N ARG A 20 77.534 -7.218 25.467 1.00 0.00 N ATOM 313 CA ARG A 20 77.576 -7.641 24.040 1.00 0.00 C ATOM 314 C ARG A 20 77.575 -6.408 23.136 1.00 0.00 C ATOM 315 O ARG A 20 78.269 -6.357 22.140 1.00 0.00 O ATOM 316 CB ARG A 20 76.330 -8.474 23.734 1.00 0.00 C ATOM 317 CG ARG A 20 76.421 -9.820 24.449 1.00 0.00 C ATOM 318 CD ARG A 20 75.166 -10.641 24.152 1.00 0.00 C ATOM 319 NE ARG A 20 75.138 -11.001 22.708 1.00 0.00 N ATOM 320 CZ ARG A 20 74.313 -11.917 22.284 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.510 -12.508 23.124 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.289 -12.239 21.020 1.00 0.00 N ATOM 0 H ARG A 20 76.727 -7.550 25.995 1.00 0.00 H new ATOM 0 HA ARG A 20 78.479 -8.225 23.861 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.436 -7.940 24.056 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.239 -8.628 22.659 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.308 -10.360 24.119 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.523 -9.667 25.523 1.00 0.00 H new ATOM 0 HD2 ARG A 20 75.156 -11.544 24.763 1.00 0.00 H new ATOM 0 HD3 ARG A 20 74.275 -10.070 24.413 1.00 0.00 H new ATOM 0 HE ARG A 20 75.763 -10.532 22.052 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.528 -12.253 24.112 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.864 -13.225 22.794 1.00 0.00 H new ATOM 0 HH21 ARG A 20 74.916 -11.774 20.363 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.643 -12.956 20.688 1.00 0.00 H new ATOM 336 N ALA A 21 76.805 -5.412 23.474 1.00 0.00 N ATOM 337 CA ALA A 21 76.764 -4.185 22.630 1.00 0.00 C ATOM 338 C ALA A 21 78.138 -3.515 22.637 1.00 0.00 C ATOM 339 O ALA A 21 78.620 -3.051 21.623 1.00 0.00 O ATOM 340 CB ALA A 21 75.723 -3.212 23.189 1.00 0.00 C ATOM 0 H ALA A 21 76.203 -5.394 24.297 1.00 0.00 H new ATOM 0 HA ALA A 21 76.496 -4.458 21.609 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.694 -2.315 22.570 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.742 -3.687 23.185 1.00 0.00 H new ATOM 0 HB3 ALA A 21 75.990 -2.940 24.210 1.00 0.00 H new ATOM 346 N MET A 22 78.772 -3.458 23.775 1.00 0.00 N ATOM 347 CA MET A 22 80.114 -2.818 23.850 1.00 0.00 C ATOM 348 C MET A 22 81.106 -3.616 23.006 1.00 0.00 C ATOM 349 O MET A 22 81.930 -3.059 22.311 1.00 0.00 O ATOM 350 CB MET A 22 80.575 -2.797 25.309 1.00 0.00 C ATOM 351 CG MET A 22 81.943 -2.115 25.416 1.00 0.00 C ATOM 352 SD MET A 22 82.479 -2.104 27.146 1.00 0.00 S ATOM 353 CE MET A 22 83.172 -3.777 27.200 1.00 0.00 C ATOM 0 H MET A 22 78.418 -3.828 24.657 1.00 0.00 H new ATOM 0 HA MET A 22 80.061 -1.798 23.469 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.846 -2.267 25.922 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.636 -3.815 25.695 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.673 -2.642 24.801 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.883 -1.095 25.036 1.00 0.00 H new ATOM 0 HE1 MET A 22 82.978 -4.220 28.177 1.00 0.00 H new ATOM 0 HE2 MET A 22 82.708 -4.388 26.426 1.00 0.00 H new ATOM 0 HE3 MET A 22 84.248 -3.731 27.030 1.00 0.00 H new ATOM 363 N ALA A 23 81.036 -4.916 23.054 1.00 0.00 N ATOM 364 CA ALA A 23 81.981 -5.734 22.246 1.00 0.00 C ATOM 365 C ALA A 23 81.747 -5.443 20.763 1.00 0.00 C ATOM 366 O ALA A 23 82.672 -5.335 19.985 1.00 0.00 O ATOM 367 CB ALA A 23 81.734 -7.219 22.520 1.00 0.00 C ATOM 0 H ALA A 23 80.369 -5.446 23.615 1.00 0.00 H new ATOM 0 HA ALA A 23 83.008 -5.485 22.514 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.426 -7.818 21.928 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.890 -7.424 23.579 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.710 -7.474 22.248 1.00 0.00 H new ATOM 373 N SER A 24 80.510 -5.317 20.372 1.00 0.00 N ATOM 374 CA SER A 24 80.198 -5.035 18.943 1.00 0.00 C ATOM 375 C SER A 24 80.650 -3.620 18.570 1.00 0.00 C ATOM 376 O SER A 24 81.165 -3.387 17.493 1.00 0.00 O ATOM 377 CB SER A 24 78.691 -5.163 18.722 1.00 0.00 C ATOM 378 OG SER A 24 78.314 -6.528 18.854 1.00 0.00 O ATOM 0 H SER A 24 79.698 -5.398 20.984 1.00 0.00 H new ATOM 0 HA SER A 24 80.728 -5.751 18.315 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.152 -4.553 19.446 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.424 -4.793 17.732 1.00 0.00 H new ATOM 0 HG SER A 24 78.228 -6.753 19.804 1.00 0.00 H new ATOM 384 N ASP A 25 80.459 -2.673 19.447 1.00 0.00 N ATOM 385 CA ASP A 25 80.870 -1.274 19.135 1.00 0.00 C ATOM 386 C ASP A 25 82.381 -1.218 18.905 1.00 0.00 C ATOM 387 O ASP A 25 82.859 -0.532 18.023 1.00 0.00 O ATOM 388 CB ASP A 25 80.500 -0.359 20.306 1.00 0.00 C ATOM 389 CG ASP A 25 78.981 -0.179 20.356 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.347 -0.370 19.331 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.478 0.147 21.419 1.00 0.00 O ATOM 0 H ASP A 25 80.036 -2.807 20.366 1.00 0.00 H new ATOM 0 HA ASP A 25 80.355 -0.941 18.234 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.857 -0.788 21.243 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.988 0.609 20.192 1.00 0.00 H new ATOM 396 N PHE A 26 83.134 -1.939 19.689 1.00 0.00 N ATOM 397 CA PHE A 26 84.619 -1.940 19.524 1.00 0.00 C ATOM 398 C PHE A 26 85.044 -3.176 18.731 1.00 0.00 C ATOM 399 O PHE A 26 86.209 -3.376 18.453 1.00 0.00 O ATOM 400 CB PHE A 26 85.280 -1.974 20.905 1.00 0.00 C ATOM 401 CG PHE A 26 85.094 -0.640 21.591 1.00 0.00 C ATOM 402 CD1 PHE A 26 83.861 -0.309 22.169 1.00 0.00 C ATOM 403 CD2 PHE A 26 86.159 0.268 21.651 1.00 0.00 C ATOM 404 CE1 PHE A 26 83.696 0.928 22.805 1.00 0.00 C ATOM 405 CE2 PHE A 26 85.993 1.504 22.286 1.00 0.00 C ATOM 406 CZ PHE A 26 84.761 1.834 22.863 1.00 0.00 C ATOM 0 H PHE A 26 82.784 -2.532 20.442 1.00 0.00 H new ATOM 0 HA PHE A 26 84.927 -1.041 18.990 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.842 -2.769 21.509 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.342 -2.198 20.805 1.00 0.00 H new ATOM 0 HD1 PHE A 26 83.038 -1.007 22.124 1.00 0.00 H new ATOM 0 HD2 PHE A 26 87.110 0.014 21.206 1.00 0.00 H new ATOM 0 HE1 PHE A 26 82.746 1.183 23.251 1.00 0.00 H new ATOM 0 HE2 PHE A 26 86.815 2.203 22.331 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.632 2.788 23.353 1.00 0.00 H new ATOM 416 N ASN A 27 84.107 -4.007 18.366 1.00 0.00 N ATOM 417 CA ASN A 27 84.451 -5.232 17.592 1.00 0.00 C ATOM 418 C ASN A 27 85.527 -6.030 18.337 1.00 0.00 C ATOM 419 O ASN A 27 86.492 -6.483 17.752 1.00 0.00 O ATOM 420 CB ASN A 27 84.961 -4.848 16.199 1.00 0.00 C ATOM 421 CG ASN A 27 83.854 -4.122 15.433 1.00 0.00 C ATOM 422 OD1 ASN A 27 82.727 -4.575 15.397 1.00 0.00 O ATOM 423 ND2 ASN A 27 84.129 -3.010 14.807 1.00 0.00 N ATOM 0 H ASN A 27 83.115 -3.890 18.571 1.00 0.00 H new ATOM 0 HA ASN A 27 83.557 -5.846 17.485 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.839 -4.207 16.285 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.270 -5.740 15.654 1.00 0.00 H new ATOM 0 HD21 ASN A 27 83.398 -2.522 14.289 1.00 0.00 H new ATOM 0 HD22 ASN A 27 85.075 -2.629 14.836 1.00 0.00 H new ATOM 430 N LEU A 28 85.359 -6.211 19.625 1.00 0.00 N ATOM 431 CA LEU A 28 86.355 -6.988 20.435 1.00 0.00 C ATOM 432 C LEU A 28 85.676 -8.268 20.936 1.00 0.00 C ATOM 433 O LEU A 28 84.477 -8.290 21.131 1.00 0.00 O ATOM 434 CB LEU A 28 86.785 -6.148 21.644 1.00 0.00 C ATOM 435 CG LEU A 28 87.550 -4.901 21.181 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.734 -3.956 22.373 1.00 0.00 C ATOM 437 CD2 LEU A 28 88.927 -5.297 20.611 1.00 0.00 C ATOM 0 H LEU A 28 84.567 -5.850 20.157 1.00 0.00 H new ATOM 0 HA LEU A 28 87.227 -7.231 19.828 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.908 -5.852 22.220 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.414 -6.745 22.305 1.00 0.00 H new ATOM 0 HG LEU A 28 86.982 -4.401 20.397 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.277 -3.067 22.052 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.758 -3.665 22.760 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.298 -4.463 23.156 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.458 -4.402 20.287 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.508 -5.804 21.382 1.00 0.00 H new ATOM 0 HD23 LEU A 28 88.790 -5.966 19.761 1.00 0.00 H new ATOM 449 N PRO A 29 86.417 -9.331 21.148 1.00 0.00 N ATOM 450 CA PRO A 29 85.827 -10.609 21.635 1.00 0.00 C ATOM 451 C PRO A 29 85.396 -10.502 23.111 1.00 0.00 C ATOM 452 O PRO A 29 85.993 -9.769 23.875 1.00 0.00 O ATOM 453 CB PRO A 29 86.967 -11.625 21.463 1.00 0.00 C ATOM 454 CG PRO A 29 88.217 -10.812 21.558 1.00 0.00 C ATOM 455 CD PRO A 29 87.878 -9.444 20.953 1.00 0.00 C ATOM 0 HA PRO A 29 84.925 -10.889 21.090 1.00 0.00 H new ATOM 0 HB2 PRO A 29 86.934 -12.392 22.237 1.00 0.00 H new ATOM 0 HB3 PRO A 29 86.900 -12.137 20.503 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.539 -10.711 22.594 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.034 -11.287 21.015 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.413 -8.639 21.457 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.147 -9.394 19.898 1.00 0.00 H new ATOM 463 N PRO A 30 84.373 -11.219 23.518 1.00 0.00 N ATOM 464 CA PRO A 30 83.886 -11.178 24.924 1.00 0.00 C ATOM 465 C PRO A 30 85.033 -11.149 25.944 1.00 0.00 C ATOM 466 O PRO A 30 84.850 -10.787 27.086 1.00 0.00 O ATOM 467 CB PRO A 30 83.088 -12.484 25.065 1.00 0.00 C ATOM 468 CG PRO A 30 82.600 -12.810 23.684 1.00 0.00 C ATOM 469 CD PRO A 30 83.570 -12.142 22.691 1.00 0.00 C ATOM 0 HA PRO A 30 83.304 -10.278 25.122 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.714 -13.285 25.459 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.254 -12.361 25.756 1.00 0.00 H new ATOM 0 HG2 PRO A 30 82.573 -13.889 23.530 1.00 0.00 H new ATOM 0 HG3 PRO A 30 81.585 -12.442 23.537 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.200 -12.880 22.195 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.031 -11.607 21.909 1.00 0.00 H new ATOM 477 N VAL A 31 86.206 -11.558 25.554 1.00 0.00 N ATOM 478 CA VAL A 31 87.331 -11.590 26.530 1.00 0.00 C ATOM 479 C VAL A 31 87.600 -10.190 27.084 1.00 0.00 C ATOM 480 O VAL A 31 87.661 -9.995 28.281 1.00 0.00 O ATOM 481 CB VAL A 31 88.584 -12.114 25.819 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.809 -11.951 26.724 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.393 -13.592 25.474 1.00 0.00 C ATOM 0 H VAL A 31 86.435 -11.869 24.610 1.00 0.00 H new ATOM 0 HA VAL A 31 87.069 -12.244 27.362 1.00 0.00 H new ATOM 0 HB VAL A 31 88.741 -11.543 24.904 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.694 -12.326 26.210 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.948 -10.896 26.962 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.659 -12.514 27.645 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.283 -13.966 24.968 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.230 -14.161 26.389 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.530 -13.704 24.818 1.00 0.00 H new ATOM 493 N VAL A 32 87.748 -9.214 26.243 1.00 0.00 N ATOM 494 CA VAL A 32 87.999 -7.842 26.763 1.00 0.00 C ATOM 495 C VAL A 32 86.733 -7.321 27.444 1.00 0.00 C ATOM 496 O VAL A 32 86.784 -6.725 28.502 1.00 0.00 O ATOM 497 CB VAL A 32 88.405 -6.924 25.605 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.421 -5.464 26.074 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.807 -7.319 25.129 1.00 0.00 C ATOM 0 H VAL A 32 87.707 -9.300 25.227 1.00 0.00 H new ATOM 0 HA VAL A 32 88.808 -7.862 27.493 1.00 0.00 H new ATOM 0 HB VAL A 32 87.688 -7.027 24.790 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.711 -4.819 25.245 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.427 -5.183 26.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.137 -5.351 26.888 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.107 -6.672 24.304 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.514 -7.211 25.951 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.798 -8.356 24.792 1.00 0.00 H new ATOM 509 N ALA A 33 85.596 -7.548 26.849 1.00 0.00 N ATOM 510 CA ALA A 33 84.325 -7.073 27.462 1.00 0.00 C ATOM 511 C ALA A 33 84.082 -7.795 28.791 1.00 0.00 C ATOM 512 O ALA A 33 83.676 -7.195 29.768 1.00 0.00 O ATOM 513 CB ALA A 33 83.164 -7.350 26.504 1.00 0.00 C ATOM 0 H ALA A 33 85.492 -8.043 25.963 1.00 0.00 H new ATOM 0 HA ALA A 33 84.395 -6.002 27.650 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.233 -7.003 26.951 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.334 -6.824 25.565 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.098 -8.421 26.313 1.00 0.00 H new ATOM 519 N LYS A 34 84.330 -9.077 28.838 1.00 0.00 N ATOM 520 CA LYS A 34 84.116 -9.832 30.106 1.00 0.00 C ATOM 521 C LYS A 34 85.033 -9.286 31.202 1.00 0.00 C ATOM 522 O LYS A 34 84.649 -9.179 32.348 1.00 0.00 O ATOM 523 CB LYS A 34 84.392 -11.323 29.876 1.00 0.00 C ATOM 524 CG LYS A 34 83.269 -11.949 29.023 1.00 0.00 C ATOM 525 CD LYS A 34 82.070 -12.329 29.904 1.00 0.00 C ATOM 526 CE LYS A 34 81.047 -13.091 29.058 1.00 0.00 C ATOM 527 NZ LYS A 34 81.704 -14.276 28.436 1.00 0.00 N ATOM 0 H LYS A 34 84.671 -9.633 28.054 1.00 0.00 H new ATOM 0 HA LYS A 34 83.081 -9.710 30.424 1.00 0.00 H new ATOM 0 HB2 LYS A 34 85.352 -11.449 29.375 1.00 0.00 H new ATOM 0 HB3 LYS A 34 84.462 -11.839 30.834 1.00 0.00 H new ATOM 0 HG2 LYS A 34 82.953 -11.244 28.254 1.00 0.00 H new ATOM 0 HG3 LYS A 34 83.645 -12.834 28.510 1.00 0.00 H new ATOM 0 HD2 LYS A 34 82.399 -12.945 30.741 1.00 0.00 H new ATOM 0 HD3 LYS A 34 81.615 -11.433 30.327 1.00 0.00 H new ATOM 0 HE2 LYS A 34 80.210 -13.410 29.679 1.00 0.00 H new ATOM 0 HE3 LYS A 34 80.640 -12.439 28.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 81.031 -15.068 28.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 82.008 -14.037 27.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 82.532 -14.550 29.002 1.00 0.00 H new ATOM 541 N GLU A 35 86.251 -8.964 30.868 1.00 0.00 N ATOM 542 CA GLU A 35 87.190 -8.454 31.905 1.00 0.00 C ATOM 543 C GLU A 35 86.638 -7.174 32.540 1.00 0.00 C ATOM 544 O GLU A 35 86.741 -6.977 33.735 1.00 0.00 O ATOM 545 CB GLU A 35 88.544 -8.155 31.256 1.00 0.00 C ATOM 546 CG GLU A 35 89.627 -8.037 32.333 1.00 0.00 C ATOM 547 CD GLU A 35 89.417 -6.755 33.143 1.00 0.00 C ATOM 548 OE1 GLU A 35 88.868 -5.814 32.593 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.810 -6.735 34.298 1.00 0.00 O ATOM 0 H GLU A 35 86.636 -9.031 29.926 1.00 0.00 H new ATOM 0 HA GLU A 35 87.307 -9.211 32.681 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.803 -8.947 30.554 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.486 -7.229 30.684 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.593 -8.904 32.992 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.614 -8.028 31.870 1.00 0.00 H new ATOM 556 N ILE A 36 86.052 -6.299 31.767 1.00 0.00 N ATOM 557 CA ILE A 36 85.507 -5.048 32.369 1.00 0.00 C ATOM 558 C ILE A 36 84.432 -5.437 33.387 1.00 0.00 C ATOM 559 O ILE A 36 84.342 -4.870 34.458 1.00 0.00 O ATOM 560 CB ILE A 36 84.917 -4.153 31.271 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.029 -3.818 30.261 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.380 -2.850 31.888 1.00 0.00 C ATOM 563 CD1 ILE A 36 85.577 -2.716 29.290 1.00 0.00 C ATOM 0 H ILE A 36 85.928 -6.394 30.759 1.00 0.00 H new ATOM 0 HA ILE A 36 86.299 -4.489 32.867 1.00 0.00 H new ATOM 0 HB ILE A 36 84.098 -4.673 30.774 1.00 0.00 H new ATOM 0 HG12 ILE A 36 86.923 -3.494 30.793 1.00 0.00 H new ATOM 0 HG13 ILE A 36 86.298 -4.713 29.701 1.00 0.00 H new ATOM 0 HG21 ILE A 36 83.963 -2.220 31.102 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.603 -3.085 32.615 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.193 -2.320 32.384 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.381 -2.498 28.587 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.697 -3.053 28.742 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.332 -1.814 29.851 1.00 0.00 H new ATOM 575 N VAL A 37 83.629 -6.415 33.069 1.00 0.00 N ATOM 576 CA VAL A 37 82.577 -6.852 34.027 1.00 0.00 C ATOM 577 C VAL A 37 83.251 -7.340 35.308 1.00 0.00 C ATOM 578 O VAL A 37 82.795 -7.083 36.405 1.00 0.00 O ATOM 579 CB VAL A 37 81.767 -7.997 33.401 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.853 -8.644 34.458 1.00 0.00 C ATOM 581 CG2 VAL A 37 80.915 -7.438 32.257 1.00 0.00 C ATOM 0 H VAL A 37 83.656 -6.929 32.188 1.00 0.00 H new ATOM 0 HA VAL A 37 81.909 -6.022 34.256 1.00 0.00 H new ATOM 0 HB VAL A 37 82.451 -8.755 33.019 1.00 0.00 H new ATOM 0 HG11 VAL A 37 80.285 -9.454 34.001 1.00 0.00 H new ATOM 0 HG12 VAL A 37 81.461 -9.041 35.271 1.00 0.00 H new ATOM 0 HG13 VAL A 37 80.165 -7.895 34.852 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.336 -8.244 31.807 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.237 -6.678 32.646 1.00 0.00 H new ATOM 0 HG23 VAL A 37 81.565 -6.993 31.503 1.00 0.00 H new ATOM 591 N ALA A 38 84.337 -8.037 35.168 1.00 0.00 N ATOM 592 CA ALA A 38 85.065 -8.552 36.358 1.00 0.00 C ATOM 593 C ALA A 38 85.668 -7.382 37.140 1.00 0.00 C ATOM 594 O ALA A 38 85.696 -7.383 38.355 1.00 0.00 O ATOM 595 CB ALA A 38 86.178 -9.488 35.891 1.00 0.00 C ATOM 0 H ALA A 38 84.758 -8.276 34.270 1.00 0.00 H new ATOM 0 HA ALA A 38 84.376 -9.094 37.006 1.00 0.00 H new ATOM 0 HB1 ALA A 38 86.718 -9.871 36.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 85.745 -10.320 35.336 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.866 -8.941 35.246 1.00 0.00 H new ATOM 601 N SER A 39 86.166 -6.394 36.452 1.00 0.00 N ATOM 602 CA SER A 39 86.784 -5.234 37.151 1.00 0.00 C ATOM 603 C SER A 39 85.697 -4.392 37.821 1.00 0.00 C ATOM 604 O SER A 39 85.866 -3.915 38.925 1.00 0.00 O ATOM 605 CB SER A 39 87.542 -4.376 36.139 1.00 0.00 C ATOM 606 OG SER A 39 88.578 -5.151 35.552 1.00 0.00 O ATOM 0 H SER A 39 86.172 -6.340 35.433 1.00 0.00 H new ATOM 0 HA SER A 39 87.474 -5.599 37.912 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.861 -4.014 35.369 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.962 -3.498 36.631 1.00 0.00 H new ATOM 0 HG SER A 39 88.188 -5.923 35.092 1.00 0.00 H new ATOM 612 N CYS A 40 84.582 -4.204 37.169 1.00 0.00 N ATOM 613 CA CYS A 40 83.494 -3.393 37.789 1.00 0.00 C ATOM 614 C CYS A 40 82.786 -4.231 38.855 1.00 0.00 C ATOM 615 O CYS A 40 82.164 -5.232 38.561 1.00 0.00 O ATOM 616 CB CYS A 40 82.491 -2.970 36.714 1.00 0.00 C ATOM 617 SG CYS A 40 81.292 -1.809 37.423 1.00 0.00 S ATOM 0 H CYS A 40 84.377 -4.574 36.241 1.00 0.00 H new ATOM 0 HA CYS A 40 83.920 -2.502 38.250 1.00 0.00 H new ATOM 0 HB2 CYS A 40 83.013 -2.504 35.878 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.975 -3.845 36.319 1.00 0.00 H new ATOM 0 HG CYS A 40 80.881 -0.992 36.499 1.00 0.00 H new ATOM 622 N ASP A 41 82.883 -3.832 40.091 1.00 0.00 N ATOM 623 CA ASP A 41 82.225 -4.601 41.185 1.00 0.00 C ATOM 624 C ASP A 41 80.713 -4.659 40.954 1.00 0.00 C ATOM 625 O ASP A 41 80.079 -5.667 41.195 1.00 0.00 O ATOM 626 CB ASP A 41 82.507 -3.925 42.527 1.00 0.00 C ATOM 627 CG ASP A 41 83.978 -4.120 42.897 1.00 0.00 C ATOM 628 OD1 ASP A 41 84.422 -5.256 42.893 1.00 0.00 O ATOM 629 OD2 ASP A 41 84.634 -3.132 43.179 1.00 0.00 O ATOM 0 H ASP A 41 83.392 -3.002 40.393 1.00 0.00 H new ATOM 0 HA ASP A 41 82.624 -5.615 41.193 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.274 -2.862 42.467 1.00 0.00 H new ATOM 0 HB3 ASP A 41 81.867 -4.348 43.301 1.00 0.00 H new ATOM 634 N LYS A 42 80.126 -3.583 40.513 1.00 0.00 N ATOM 635 CA LYS A 42 78.651 -3.580 40.293 1.00 0.00 C ATOM 636 C LYS A 42 78.277 -4.649 39.266 1.00 0.00 C ATOM 637 O LYS A 42 77.307 -5.360 39.425 1.00 0.00 O ATOM 638 CB LYS A 42 78.215 -2.210 39.763 1.00 0.00 C ATOM 639 CG LYS A 42 78.573 -1.108 40.769 1.00 0.00 C ATOM 640 CD LYS A 42 77.686 -1.215 42.020 1.00 0.00 C ATOM 641 CE LYS A 42 77.706 0.111 42.786 1.00 0.00 C ATOM 642 NZ LYS A 42 79.077 0.363 43.313 1.00 0.00 N ATOM 0 H LYS A 42 80.601 -2.707 40.295 1.00 0.00 H new ATOM 0 HA LYS A 42 78.151 -3.790 41.239 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.701 -2.011 38.808 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.140 -2.209 39.580 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.622 -1.192 41.051 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.444 -0.129 40.307 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.665 -1.464 41.732 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.042 -2.021 42.661 1.00 0.00 H new ATOM 0 HE2 LYS A 42 77.402 0.926 42.130 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.990 0.079 43.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.054 1.169 43.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.417 -0.483 43.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.718 0.579 42.523 1.00 0.00 H new ATOM 656 N CYS A 43 79.038 -4.771 38.215 1.00 0.00 N ATOM 657 CA CYS A 43 78.718 -5.799 37.184 1.00 0.00 C ATOM 658 C CYS A 43 79.211 -7.173 37.647 1.00 0.00 C ATOM 659 O CYS A 43 78.751 -8.197 37.183 1.00 0.00 O ATOM 660 CB CYS A 43 79.411 -5.453 35.870 1.00 0.00 C ATOM 661 SG CYS A 43 79.075 -3.736 35.425 1.00 0.00 S ATOM 0 H CYS A 43 79.865 -4.206 38.025 1.00 0.00 H new ATOM 0 HA CYS A 43 77.638 -5.820 37.040 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.486 -5.609 35.965 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.061 -6.117 35.079 1.00 0.00 H new ATOM 0 HG CYS A 43 79.847 -2.950 36.115 1.00 0.00 H new ATOM 666 N GLN A 44 80.169 -7.202 38.538 1.00 0.00 N ATOM 667 CA GLN A 44 80.716 -8.511 39.000 1.00 0.00 C ATOM 668 C GLN A 44 79.742 -9.176 39.969 1.00 0.00 C ATOM 669 O GLN A 44 79.104 -10.159 39.646 1.00 0.00 O ATOM 670 CB GLN A 44 82.047 -8.271 39.716 1.00 0.00 C ATOM 671 CG GLN A 44 82.715 -9.612 40.024 1.00 0.00 C ATOM 672 CD GLN A 44 84.078 -9.363 40.673 1.00 0.00 C ATOM 673 OE1 GLN A 44 85.121 -9.172 39.915 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.192 -9.335 41.883 1.00 0.00 N ATOM 0 H GLN A 44 80.594 -6.378 38.964 1.00 0.00 H new ATOM 0 HA GLN A 44 80.863 -9.162 38.138 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.702 -7.662 39.093 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.880 -7.716 40.639 1.00 0.00 H new ATOM 0 HG2 GLN A 44 82.084 -10.200 40.691 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.836 -10.190 39.108 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.376 -9.485 42.476 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.104 -9.162 42.305 1.00 0.00 H new ATOM 844 N PHE B 1 93.421 -14.520 21.918 1.00 0.00 N ATOM 845 CA PHE B 1 92.357 -14.167 22.901 1.00 0.00 C ATOM 846 C PHE B 1 91.778 -15.447 23.512 1.00 0.00 C ATOM 847 O PHE B 1 92.319 -16.006 24.445 1.00 0.00 O ATOM 848 CB PHE B 1 91.235 -13.398 22.193 1.00 0.00 C ATOM 849 CG PHE B 1 91.683 -11.988 21.882 1.00 0.00 C ATOM 850 CD1 PHE B 1 91.575 -10.987 22.856 1.00 0.00 C ATOM 851 CD2 PHE B 1 92.196 -11.681 20.616 1.00 0.00 C ATOM 852 CE1 PHE B 1 91.982 -9.678 22.563 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.601 -10.373 20.324 1.00 0.00 C ATOM 854 CZ PHE B 1 92.495 -9.371 21.298 1.00 0.00 C ATOM 0 H1 PHE B 1 93.369 -13.875 21.104 1.00 0.00 H new ATOM 0 H2 PHE B 1 94.354 -14.433 22.370 1.00 0.00 H new ATOM 0 H3 PHE B 1 93.283 -15.498 21.594 1.00 0.00 H new ATOM 0 HA PHE B 1 92.788 -13.546 23.687 1.00 0.00 H new ATOM 0 HB2 PHE B 1 90.958 -13.911 21.272 1.00 0.00 H new ATOM 0 HB3 PHE B 1 90.346 -13.374 22.824 1.00 0.00 H new ATOM 0 HD1 PHE B 1 91.178 -11.224 23.832 1.00 0.00 H new ATOM 0 HD2 PHE B 1 92.279 -12.453 19.865 1.00 0.00 H new ATOM 0 HE1 PHE B 1 91.900 -8.906 23.314 1.00 0.00 H new ATOM 0 HE2 PHE B 1 92.996 -10.136 19.347 1.00 0.00 H new ATOM 0 HZ PHE B 1 92.809 -8.363 21.072 1.00 0.00 H new ATOM 866 N LEU B 2 90.673 -15.904 22.989 1.00 0.00 N ATOM 867 CA LEU B 2 90.029 -17.137 23.526 1.00 0.00 C ATOM 868 C LEU B 2 90.968 -18.339 23.384 1.00 0.00 C ATOM 869 O LEU B 2 91.050 -19.179 24.257 1.00 0.00 O ATOM 870 CB LEU B 2 88.746 -17.408 22.734 1.00 0.00 C ATOM 871 CG LEU B 2 87.750 -16.252 22.935 1.00 0.00 C ATOM 872 CD1 LEU B 2 86.710 -16.269 21.814 1.00 0.00 C ATOM 873 CD2 LEU B 2 87.026 -16.397 24.282 1.00 0.00 C ATOM 0 H LEU B 2 90.184 -15.472 22.205 1.00 0.00 H new ATOM 0 HA LEU B 2 89.803 -16.990 24.582 1.00 0.00 H new ATOM 0 HB2 LEU B 2 88.979 -17.518 21.675 1.00 0.00 H new ATOM 0 HB3 LEU B 2 88.298 -18.346 23.061 1.00 0.00 H new ATOM 0 HG LEU B 2 88.303 -15.313 22.920 1.00 0.00 H new ATOM 0 HD11 LEU B 2 86.006 -15.450 21.958 1.00 0.00 H new ATOM 0 HD12 LEU B 2 87.210 -16.153 20.852 1.00 0.00 H new ATOM 0 HD13 LEU B 2 86.172 -17.217 21.831 1.00 0.00 H new ATOM 0 HD21 LEU B 2 86.325 -15.572 24.409 1.00 0.00 H new ATOM 0 HD22 LEU B 2 86.482 -17.341 24.303 1.00 0.00 H new ATOM 0 HD23 LEU B 2 87.756 -16.381 25.091 1.00 0.00 H new ATOM 885 N ASP B 3 91.665 -18.435 22.288 1.00 0.00 N ATOM 886 CA ASP B 3 92.582 -19.595 22.088 1.00 0.00 C ATOM 887 C ASP B 3 93.662 -19.613 23.167 1.00 0.00 C ATOM 888 O ASP B 3 93.911 -20.620 23.799 1.00 0.00 O ATOM 889 CB ASP B 3 93.252 -19.477 20.724 1.00 0.00 C ATOM 890 CG ASP B 3 93.812 -18.064 20.542 1.00 0.00 C ATOM 891 OD1 ASP B 3 93.117 -17.121 20.882 1.00 0.00 O ATOM 892 OD2 ASP B 3 94.928 -17.949 20.064 1.00 0.00 O ATOM 0 H ASP B 3 91.641 -17.762 21.522 1.00 0.00 H new ATOM 0 HA ASP B 3 92.001 -20.515 22.147 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.054 -20.210 20.638 1.00 0.00 H new ATOM 0 HB3 ASP B 3 92.533 -19.698 19.935 1.00 0.00 H new ATOM 897 N GLY B 4 94.309 -18.508 23.374 1.00 0.00 N ATOM 898 CA GLY B 4 95.382 -18.457 24.405 1.00 0.00 C ATOM 899 C GLY B 4 94.795 -18.861 25.756 1.00 0.00 C ATOM 900 O GLY B 4 95.426 -19.536 26.543 1.00 0.00 O ATOM 0 H GLY B 4 94.144 -17.634 22.875 1.00 0.00 H new ATOM 0 HA2 GLY B 4 96.197 -19.128 24.133 1.00 0.00 H new ATOM 0 HA3 GLY B 4 95.801 -17.453 24.462 1.00 0.00 H new ATOM 904 N ILE B 5 93.590 -18.453 26.027 1.00 0.00 N ATOM 905 CA ILE B 5 92.950 -18.806 27.323 1.00 0.00 C ATOM 906 C ILE B 5 92.741 -20.323 27.417 1.00 0.00 C ATOM 907 O ILE B 5 92.913 -20.913 28.465 1.00 0.00 O ATOM 908 CB ILE B 5 91.599 -18.084 27.432 1.00 0.00 C ATOM 909 CG1 ILE B 5 91.843 -16.593 27.695 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.770 -18.682 28.575 1.00 0.00 C ATOM 911 CD1 ILE B 5 90.533 -15.822 27.530 1.00 0.00 C ATOM 0 H ILE B 5 93.016 -17.886 25.403 1.00 0.00 H new ATOM 0 HA ILE B 5 93.599 -18.494 28.141 1.00 0.00 H new ATOM 0 HB ILE B 5 91.049 -18.208 26.499 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.236 -16.451 28.702 1.00 0.00 H new ATOM 0 HG13 ILE B 5 92.592 -16.209 27.003 1.00 0.00 H new ATOM 0 HG21 ILE B 5 89.815 -18.162 28.642 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.594 -19.740 28.382 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.311 -18.570 29.514 1.00 0.00 H new ATOM 0 HD11 ILE B 5 90.708 -14.763 27.717 1.00 0.00 H new ATOM 0 HD12 ILE B 5 90.159 -15.954 26.515 1.00 0.00 H new ATOM 0 HD13 ILE B 5 89.797 -16.199 28.240 1.00 0.00 H new ATOM 923 N ASP B 6 92.348 -20.958 26.348 1.00 0.00 N ATOM 924 CA ASP B 6 92.109 -22.429 26.418 1.00 0.00 C ATOM 925 C ASP B 6 93.395 -23.150 26.826 1.00 0.00 C ATOM 926 O ASP B 6 93.371 -24.059 27.633 1.00 0.00 O ATOM 927 CB ASP B 6 91.643 -22.943 25.054 1.00 0.00 C ATOM 928 CG ASP B 6 90.228 -22.431 24.775 1.00 0.00 C ATOM 929 OD1 ASP B 6 89.413 -22.477 25.681 1.00 0.00 O ATOM 930 OD2 ASP B 6 89.984 -22.006 23.659 1.00 0.00 O ATOM 0 H ASP B 6 92.183 -20.529 25.437 1.00 0.00 H new ATOM 0 HA ASP B 6 91.337 -22.627 27.162 1.00 0.00 H new ATOM 0 HB2 ASP B 6 92.325 -22.605 24.273 1.00 0.00 H new ATOM 0 HB3 ASP B 6 91.657 -24.033 25.039 1.00 0.00 H new ATOM 935 N LYS B 7 94.518 -22.752 26.297 1.00 0.00 N ATOM 936 CA LYS B 7 95.787 -23.426 26.689 1.00 0.00 C ATOM 937 C LYS B 7 96.102 -23.066 28.143 1.00 0.00 C ATOM 938 O LYS B 7 96.536 -23.888 28.924 1.00 0.00 O ATOM 939 CB LYS B 7 96.930 -22.938 25.795 1.00 0.00 C ATOM 940 CG LYS B 7 96.748 -23.476 24.373 1.00 0.00 C ATOM 941 CD LYS B 7 97.900 -22.978 23.496 1.00 0.00 C ATOM 942 CE LYS B 7 97.731 -23.507 22.071 1.00 0.00 C ATOM 943 NZ LYS B 7 96.540 -22.870 21.442 1.00 0.00 N ATOM 0 H LYS B 7 94.613 -21.997 25.617 1.00 0.00 H new ATOM 0 HA LYS B 7 95.679 -24.505 26.579 1.00 0.00 H new ATOM 0 HB2 LYS B 7 96.952 -21.848 25.781 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.886 -23.270 26.199 1.00 0.00 H new ATOM 0 HG2 LYS B 7 96.728 -24.566 24.383 1.00 0.00 H new ATOM 0 HG3 LYS B 7 95.794 -23.143 23.965 1.00 0.00 H new ATOM 0 HD2 LYS B 7 97.920 -21.888 23.489 1.00 0.00 H new ATOM 0 HD3 LYS B 7 98.853 -23.311 23.907 1.00 0.00 H new ATOM 0 HE2 LYS B 7 98.624 -23.292 21.484 1.00 0.00 H new ATOM 0 HE3 LYS B 7 97.612 -24.590 22.086 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 96.584 -22.995 20.410 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 95.674 -23.315 21.809 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 96.530 -21.855 21.667 1.00 0.00 H new ATOM 957 N ALA B 8 95.874 -21.835 28.503 1.00 0.00 N ATOM 958 CA ALA B 8 96.142 -21.388 29.898 1.00 0.00 C ATOM 959 C ALA B 8 95.119 -22.009 30.854 1.00 0.00 C ATOM 960 O ALA B 8 95.383 -22.191 32.026 1.00 0.00 O ATOM 961 CB ALA B 8 96.055 -19.862 29.971 1.00 0.00 C ATOM 0 H ALA B 8 95.509 -21.111 27.884 1.00 0.00 H new ATOM 0 HA ALA B 8 97.141 -21.710 30.191 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.251 -19.535 30.992 1.00 0.00 H new ATOM 0 HB2 ALA B 8 96.794 -19.423 29.301 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.058 -19.540 29.672 1.00 0.00 H new ATOM 967 N GLN B 9 93.943 -22.314 30.372 1.00 0.00 N ATOM 968 CA GLN B 9 92.902 -22.898 31.267 1.00 0.00 C ATOM 969 C GLN B 9 93.394 -24.234 31.829 1.00 0.00 C ATOM 970 O GLN B 9 93.784 -25.123 31.098 1.00 0.00 O ATOM 971 CB GLN B 9 91.612 -23.117 30.470 1.00 0.00 C ATOM 972 CG GLN B 9 90.478 -23.494 31.425 1.00 0.00 C ATOM 973 CD GLN B 9 89.183 -23.689 30.634 1.00 0.00 C ATOM 974 OE1 GLN B 9 89.183 -24.296 29.581 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.068 -23.193 31.099 1.00 0.00 N ATOM 0 H GLN B 9 93.659 -22.184 29.401 1.00 0.00 H new ATOM 0 HA GLN B 9 92.708 -22.213 32.093 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.353 -22.211 29.921 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.758 -23.906 29.732 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.730 -24.409 31.961 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.345 -22.713 32.173 1.00 0.00 H new ATOM 0 HE21 GLN B 9 88.066 -22.683 31.983 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.199 -23.315 30.579 1.00 0.00 H new ATOM 984 N GLU B 10 93.376 -24.377 33.129 1.00 0.00 N ATOM 985 CA GLU B 10 93.838 -25.648 33.766 1.00 0.00 C ATOM 986 C GLU B 10 93.035 -25.886 35.050 1.00 0.00 C ATOM 987 O GLU B 10 92.000 -25.290 35.265 1.00 0.00 O ATOM 988 CB GLU B 10 95.330 -25.552 34.114 1.00 0.00 C ATOM 989 CG GLU B 10 96.169 -25.557 32.833 1.00 0.00 C ATOM 990 CD GLU B 10 97.654 -25.487 33.198 1.00 0.00 C ATOM 991 OE1 GLU B 10 98.014 -24.608 33.963 1.00 0.00 O ATOM 992 OE2 GLU B 10 98.406 -26.312 32.707 1.00 0.00 O ATOM 0 H GLU B 10 93.058 -23.661 33.783 1.00 0.00 H new ATOM 0 HA GLU B 10 93.686 -26.474 33.071 1.00 0.00 H new ATOM 0 HB2 GLU B 10 95.522 -24.641 34.680 1.00 0.00 H new ATOM 0 HB3 GLU B 10 95.618 -26.389 34.750 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.967 -26.460 32.256 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.897 -24.709 32.204 1.00 0.00 H new ATOM 999 N GLU B 11 93.505 -26.758 35.903 1.00 0.00 N ATOM 1000 CA GLU B 11 92.772 -27.036 37.171 1.00 0.00 C ATOM 1001 C GLU B 11 92.978 -25.879 38.151 1.00 0.00 C ATOM 1002 O GLU B 11 93.919 -25.118 38.044 1.00 0.00 O ATOM 1003 CB GLU B 11 93.297 -28.330 37.800 1.00 0.00 C ATOM 1004 CG GLU B 11 92.870 -29.531 36.951 1.00 0.00 C ATOM 1005 CD GLU B 11 93.636 -29.525 35.626 1.00 0.00 C ATOM 1006 OE1 GLU B 11 94.648 -28.849 35.553 1.00 0.00 O ATOM 1007 OE2 GLU B 11 93.196 -30.198 34.708 1.00 0.00 O ATOM 0 H GLU B 11 94.366 -27.290 35.775 1.00 0.00 H new ATOM 0 HA GLU B 11 91.710 -27.143 36.951 1.00 0.00 H new ATOM 0 HB2 GLU B 11 94.384 -28.294 37.874 1.00 0.00 H new ATOM 0 HB3 GLU B 11 92.911 -28.435 38.814 1.00 0.00 H new ATOM 0 HG2 GLU B 11 93.065 -30.458 37.491 1.00 0.00 H new ATOM 0 HG3 GLU B 11 91.797 -29.492 36.762 1.00 0.00 H new ATOM 1014 N HIS B 12 92.097 -25.739 39.107 1.00 0.00 N ATOM 1015 CA HIS B 12 92.235 -24.630 40.091 1.00 0.00 C ATOM 1016 C HIS B 12 93.349 -24.963 41.087 1.00 0.00 C ATOM 1017 O HIS B 12 93.098 -25.354 42.209 1.00 0.00 O ATOM 1018 CB HIS B 12 90.910 -24.453 40.836 1.00 0.00 C ATOM 1019 CG HIS B 12 91.026 -23.323 41.822 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.782 -22.000 41.469 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.338 -23.303 43.159 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.946 -21.248 42.577 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.284 -21.995 43.630 1.00 0.00 N ATOM 0 H HIS B 12 91.289 -26.346 39.247 1.00 0.00 H new ATOM 0 HA HIS B 12 92.487 -23.706 39.571 1.00 0.00 H new ATOM 0 HB2 HIS B 12 90.108 -24.248 40.127 1.00 0.00 H new ATOM 0 HB3 HIS B 12 90.648 -25.375 41.355 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.526 -21.660 40.542 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.587 -24.169 43.754 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.820 -20.176 42.608 1.00 0.00 H new ATOM 1031 N GLU B 13 94.583 -24.811 40.676 1.00 0.00 N ATOM 1032 CA GLU B 13 95.736 -25.114 41.580 1.00 0.00 C ATOM 1033 C GLU B 13 96.296 -23.804 42.154 1.00 0.00 C ATOM 1034 O GLU B 13 95.612 -22.803 42.227 1.00 0.00 O ATOM 1035 CB GLU B 13 96.825 -25.830 40.779 1.00 0.00 C ATOM 1036 CG GLU B 13 96.317 -27.206 40.343 1.00 0.00 C ATOM 1037 CD GLU B 13 97.406 -27.925 39.546 1.00 0.00 C ATOM 1038 OE1 GLU B 13 97.642 -27.535 38.415 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.987 -28.855 40.081 1.00 0.00 O ATOM 0 H GLU B 13 94.844 -24.487 39.745 1.00 0.00 H new ATOM 0 HA GLU B 13 95.404 -25.752 42.399 1.00 0.00 H new ATOM 0 HB2 GLU B 13 97.098 -25.238 39.905 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.725 -25.938 41.384 1.00 0.00 H new ATOM 0 HG2 GLU B 13 96.041 -27.797 41.217 1.00 0.00 H new ATOM 0 HG3 GLU B 13 95.419 -27.098 39.735 1.00 0.00 H new ATOM 1046 N LYS B 14 97.538 -23.808 42.566 1.00 0.00 N ATOM 1047 CA LYS B 14 98.149 -22.573 43.138 1.00 0.00 C ATOM 1048 C LYS B 14 98.323 -21.537 42.027 1.00 0.00 C ATOM 1049 O LYS B 14 98.273 -20.346 42.258 1.00 0.00 O ATOM 1050 CB LYS B 14 99.522 -22.913 43.723 1.00 0.00 C ATOM 1051 CG LYS B 14 99.352 -23.780 44.973 1.00 0.00 C ATOM 1052 CD LYS B 14 100.728 -24.114 45.550 1.00 0.00 C ATOM 1053 CE LYS B 14 100.564 -24.981 46.800 1.00 0.00 C ATOM 1054 NZ LYS B 14 99.827 -26.228 46.448 1.00 0.00 N ATOM 0 H LYS B 14 98.157 -24.618 42.530 1.00 0.00 H new ATOM 0 HA LYS B 14 97.503 -22.173 43.920 1.00 0.00 H new ATOM 0 HB2 LYS B 14 100.123 -23.441 42.982 1.00 0.00 H new ATOM 0 HB3 LYS B 14 100.057 -21.997 43.974 1.00 0.00 H new ATOM 0 HG2 LYS B 14 98.752 -23.254 45.715 1.00 0.00 H new ATOM 0 HG3 LYS B 14 98.818 -24.697 44.723 1.00 0.00 H new ATOM 0 HD2 LYS B 14 101.327 -24.640 44.807 1.00 0.00 H new ATOM 0 HD3 LYS B 14 101.262 -23.197 45.799 1.00 0.00 H new ATOM 0 HE2 LYS B 14 101.541 -25.228 47.215 1.00 0.00 H new ATOM 0 HE3 LYS B 14 100.022 -24.430 47.569 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.259 -27.037 46.939 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 98.832 -26.137 46.738 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 99.875 -26.381 45.420 1.00 0.00 H new ATOM 1068 N TYR B 15 98.533 -21.987 40.823 1.00 0.00 N ATOM 1069 CA TYR B 15 98.719 -21.041 39.689 1.00 0.00 C ATOM 1070 C TYR B 15 97.468 -20.174 39.549 1.00 0.00 C ATOM 1071 O TYR B 15 97.556 -18.992 39.280 1.00 0.00 O ATOM 1072 CB TYR B 15 98.955 -21.829 38.398 1.00 0.00 C ATOM 1073 CG TYR B 15 100.375 -22.340 38.382 1.00 0.00 C ATOM 1074 CD1 TYR B 15 101.415 -21.509 37.945 1.00 0.00 C ATOM 1075 CD2 TYR B 15 100.654 -23.641 38.816 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.733 -21.981 37.941 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.971 -24.113 38.812 1.00 0.00 C ATOM 1078 CZ TYR B 15 103.011 -23.283 38.375 1.00 0.00 C ATOM 1079 OH TYR B 15 104.310 -23.750 38.371 1.00 0.00 O ATOM 0 H TYR B 15 98.584 -22.975 40.574 1.00 0.00 H new ATOM 0 HA TYR B 15 99.582 -20.403 39.878 1.00 0.00 H new ATOM 0 HB2 TYR B 15 98.255 -22.662 38.333 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.775 -21.193 37.531 1.00 0.00 H new ATOM 0 HD1 TYR B 15 101.200 -20.505 37.611 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.852 -24.281 39.154 1.00 0.00 H new ATOM 0 HE1 TYR B 15 103.535 -21.341 37.603 1.00 0.00 H new ATOM 0 HE2 TYR B 15 102.186 -25.117 39.146 1.00 0.00 H new ATOM 0 HH TYR B 15 104.327 -24.672 38.703 1.00 0.00 H new ATOM 1089 N HIS B 16 96.307 -20.739 39.733 1.00 0.00 N ATOM 1090 CA HIS B 16 95.073 -19.917 39.612 1.00 0.00 C ATOM 1091 C HIS B 16 95.136 -18.792 40.646 1.00 0.00 C ATOM 1092 O HIS B 16 94.776 -17.666 40.370 1.00 0.00 O ATOM 1093 CB HIS B 16 93.832 -20.790 39.876 1.00 0.00 C ATOM 1094 CG HIS B 16 93.404 -21.494 38.615 1.00 0.00 C ATOM 1095 ND1 HIS B 16 92.065 -21.742 38.326 1.00 0.00 N ATOM 1096 CD2 HIS B 16 94.117 -22.011 37.562 1.00 0.00 C ATOM 1097 CE1 HIS B 16 92.018 -22.383 37.144 1.00 0.00 C ATOM 1098 NE2 HIS B 16 93.239 -22.571 36.639 1.00 0.00 N ATOM 0 H HIS B 16 96.161 -21.723 39.959 1.00 0.00 H new ATOM 0 HA HIS B 16 95.003 -19.502 38.607 1.00 0.00 H new ATOM 0 HB2 HIS B 16 94.054 -21.523 40.651 1.00 0.00 H new ATOM 0 HB3 HIS B 16 93.016 -20.170 40.248 1.00 0.00 H new ATOM 0 HD2 HIS B 16 95.192 -21.987 37.465 1.00 0.00 H new ATOM 0 HE1 HIS B 16 91.106 -22.705 36.664 1.00 0.00 H new ATOM 0 HE2 HIS B 16 93.479 -23.029 35.760 1.00 0.00 H new ATOM 1106 N SER B 17 95.607 -19.074 41.830 1.00 0.00 N ATOM 1107 CA SER B 17 95.700 -17.997 42.851 1.00 0.00 C ATOM 1108 C SER B 17 96.757 -16.989 42.402 1.00 0.00 C ATOM 1109 O SER B 17 96.589 -15.792 42.538 1.00 0.00 O ATOM 1110 CB SER B 17 96.107 -18.594 44.197 1.00 0.00 C ATOM 1111 OG SER B 17 97.472 -18.989 44.140 1.00 0.00 O ATOM 0 H SER B 17 95.928 -19.994 42.131 1.00 0.00 H new ATOM 0 HA SER B 17 94.733 -17.505 42.958 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.961 -17.863 44.992 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.477 -19.452 44.433 1.00 0.00 H new ATOM 0 HG SER B 17 97.545 -19.848 43.673 1.00 0.00 H new ATOM 1117 N ASN B 18 97.846 -17.466 41.854 1.00 0.00 N ATOM 1118 CA ASN B 18 98.919 -16.543 41.379 1.00 0.00 C ATOM 1119 C ASN B 18 98.709 -16.255 39.891 1.00 0.00 C ATOM 1120 O ASN B 18 99.347 -16.843 39.040 1.00 0.00 O ATOM 1121 CB ASN B 18 100.284 -17.208 41.583 1.00 0.00 C ATOM 1122 CG ASN B 18 100.575 -17.321 43.081 1.00 0.00 C ATOM 1123 OD1 ASN B 18 100.083 -16.537 43.868 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.359 -18.271 43.512 1.00 0.00 N ATOM 0 H ASN B 18 98.038 -18.458 41.715 1.00 0.00 H new ATOM 0 HA ASN B 18 98.881 -15.610 41.942 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.291 -18.197 41.124 1.00 0.00 H new ATOM 0 HB3 ASN B 18 101.063 -16.623 41.093 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.558 -18.355 44.509 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.773 -18.930 42.852 1.00 0.00 H new ATOM 1131 N TRP B 19 97.821 -15.357 39.567 1.00 0.00 N ATOM 1132 CA TRP B 19 97.575 -15.037 38.132 1.00 0.00 C ATOM 1133 C TRP B 19 98.782 -14.298 37.555 1.00 0.00 C ATOM 1134 O TRP B 19 99.043 -14.346 36.369 1.00 0.00 O ATOM 1135 CB TRP B 19 96.323 -14.166 37.992 1.00 0.00 C ATOM 1136 CG TRP B 19 96.540 -12.848 38.663 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.155 -12.546 39.922 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.182 -11.650 38.131 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.514 -11.240 40.199 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.150 -10.646 39.128 1.00 0.00 C ATOM 1141 CE3 TRP B 19 97.780 -11.339 36.895 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 97.693 -9.378 38.907 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.328 -10.066 36.670 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.284 -9.088 37.674 1.00 0.00 C ATOM 0 H TRP B 19 97.255 -14.831 40.233 1.00 0.00 H new ATOM 0 HA TRP B 19 97.423 -15.967 37.584 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.092 -14.013 36.938 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.466 -14.673 38.436 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.649 -13.216 40.602 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.331 -10.772 41.087 1.00 0.00 H new ATOM 0 HE3 TRP B 19 97.817 -12.085 36.115 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 97.656 -8.628 39.683 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 98.786 -9.839 35.719 1.00 0.00 H new ATOM 0 HH2 TRP B 19 98.707 -8.111 37.495 1.00 0.00 H new ATOM 1155 N ARG B 20 99.509 -13.596 38.380 1.00 0.00 N ATOM 1156 CA ARG B 20 100.687 -12.837 37.872 1.00 0.00 C ATOM 1157 C ARG B 20 101.687 -13.804 37.234 1.00 0.00 C ATOM 1158 O ARG B 20 102.275 -13.515 36.211 1.00 0.00 O ATOM 1159 CB ARG B 20 101.368 -12.133 39.045 1.00 0.00 C ATOM 1160 CG ARG B 20 100.474 -11.004 39.554 1.00 0.00 C ATOM 1161 CD ARG B 20 101.148 -10.315 40.740 1.00 0.00 C ATOM 1162 NE ARG B 20 102.385 -9.626 40.278 1.00 0.00 N ATOM 1163 CZ ARG B 20 102.972 -8.758 41.054 1.00 0.00 C ATOM 1164 NH1 ARG B 20 102.477 -8.503 42.235 1.00 0.00 N ATOM 1165 NH2 ARG B 20 104.052 -8.146 40.652 1.00 0.00 N ATOM 0 H ARG B 20 99.339 -13.515 39.382 1.00 0.00 H new ATOM 0 HA ARG B 20 100.356 -12.109 37.132 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.563 -12.846 39.846 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.333 -11.734 38.732 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.291 -10.283 38.757 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.504 -11.401 39.854 1.00 0.00 H new ATOM 0 HD2 ARG B 20 100.465 -9.595 41.192 1.00 0.00 H new ATOM 0 HD3 ARG B 20 101.393 -11.048 41.509 1.00 0.00 H new ATOM 0 HE ARG B 20 102.772 -9.833 39.357 1.00 0.00 H new ATOM 0 HH11 ARG B 20 101.633 -8.982 42.549 1.00 0.00 H new ATOM 0 HH12 ARG B 20 102.934 -7.824 42.844 1.00 0.00 H new ATOM 0 HH21 ARG B 20 104.438 -8.346 39.729 1.00 0.00 H new ATOM 0 HH22 ARG B 20 104.510 -7.467 41.260 1.00 0.00 H new ATOM 1179 N ALA B 21 101.885 -14.947 37.828 1.00 0.00 N ATOM 1180 CA ALA B 21 102.849 -15.926 37.251 1.00 0.00 C ATOM 1181 C ALA B 21 102.355 -16.383 35.879 1.00 0.00 C ATOM 1182 O ALA B 21 103.118 -16.516 34.943 1.00 0.00 O ATOM 1183 CB ALA B 21 102.964 -17.136 38.179 1.00 0.00 C ATOM 0 H ALA B 21 101.422 -15.246 38.686 1.00 0.00 H new ATOM 0 HA ALA B 21 103.825 -15.453 37.146 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.669 -17.852 37.757 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.318 -16.812 39.158 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.987 -17.608 38.285 1.00 0.00 H new ATOM 1189 N MET B 22 101.079 -16.626 35.752 1.00 0.00 N ATOM 1190 CA MET B 22 100.534 -17.076 34.444 1.00 0.00 C ATOM 1191 C MET B 22 100.722 -15.967 33.404 1.00 0.00 C ATOM 1192 O MET B 22 101.073 -16.222 32.271 1.00 0.00 O ATOM 1193 CB MET B 22 99.044 -17.388 34.605 1.00 0.00 C ATOM 1194 CG MET B 22 98.466 -17.883 33.277 1.00 0.00 C ATOM 1195 SD MET B 22 96.703 -18.241 33.482 1.00 0.00 S ATOM 1196 CE MET B 22 96.082 -16.552 33.262 1.00 0.00 C ATOM 0 H MET B 22 100.391 -16.532 36.499 1.00 0.00 H new ATOM 0 HA MET B 22 101.060 -17.971 34.111 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.904 -18.145 35.377 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.511 -16.496 34.933 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.607 -17.129 32.503 1.00 0.00 H new ATOM 0 HG3 MET B 22 98.994 -18.778 32.949 1.00 0.00 H new ATOM 0 HE1 MET B 22 95.167 -16.423 33.840 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.832 -15.841 33.607 1.00 0.00 H new ATOM 0 HE3 MET B 22 95.873 -16.376 32.207 1.00 0.00 H new ATOM 1206 N ALA B 23 100.494 -14.740 33.779 1.00 0.00 N ATOM 1207 CA ALA B 23 100.667 -13.629 32.803 1.00 0.00 C ATOM 1208 C ALA B 23 102.129 -13.579 32.359 1.00 0.00 C ATOM 1209 O ALA B 23 102.433 -13.367 31.203 1.00 0.00 O ATOM 1210 CB ALA B 23 100.290 -12.303 33.469 1.00 0.00 C ATOM 0 H ALA B 23 100.197 -14.459 34.714 1.00 0.00 H new ATOM 0 HA ALA B 23 100.025 -13.794 31.938 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.416 -11.489 32.756 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.251 -12.342 33.795 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.934 -12.133 34.331 1.00 0.00 H new ATOM 1216 N SER B 24 103.035 -13.772 33.278 1.00 0.00 N ATOM 1217 CA SER B 24 104.484 -13.739 32.929 1.00 0.00 C ATOM 1218 C SER B 24 104.847 -14.946 32.057 1.00 0.00 C ATOM 1219 O SER B 24 105.617 -14.838 31.123 1.00 0.00 O ATOM 1220 CB SER B 24 105.316 -13.769 34.214 1.00 0.00 C ATOM 1221 OG SER B 24 105.144 -12.541 34.911 1.00 0.00 O ATOM 0 H SER B 24 102.833 -13.952 34.261 1.00 0.00 H new ATOM 0 HA SER B 24 104.695 -12.825 32.373 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.007 -14.604 34.842 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.369 -13.922 33.976 1.00 0.00 H new ATOM 0 HG SER B 24 104.312 -12.572 35.428 1.00 0.00 H new ATOM 1227 N ASP B 25 104.307 -16.096 32.360 1.00 0.00 N ATOM 1228 CA ASP B 25 104.631 -17.309 31.553 1.00 0.00 C ATOM 1229 C ASP B 25 104.188 -17.100 30.107 1.00 0.00 C ATOM 1230 O ASP B 25 104.872 -17.481 29.177 1.00 0.00 O ATOM 1231 CB ASP B 25 103.906 -18.523 32.139 1.00 0.00 C ATOM 1232 CG ASP B 25 104.547 -18.910 33.472 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.696 -18.554 33.677 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.881 -19.555 34.265 1.00 0.00 O ATOM 0 H ASP B 25 103.656 -16.248 33.130 1.00 0.00 H new ATOM 0 HA ASP B 25 105.707 -17.481 31.579 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.851 -18.293 32.285 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.957 -19.360 31.443 1.00 0.00 H new ATOM 1239 N PHE B 26 103.048 -16.495 29.910 1.00 0.00 N ATOM 1240 CA PHE B 26 102.547 -16.251 28.523 1.00 0.00 C ATOM 1241 C PHE B 26 102.862 -14.812 28.114 1.00 0.00 C ATOM 1242 O PHE B 26 102.568 -14.391 27.013 1.00 0.00 O ATOM 1243 CB PHE B 26 101.032 -16.467 28.488 1.00 0.00 C ATOM 1244 CG PHE B 26 100.723 -17.939 28.621 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.797 -18.565 29.873 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.358 -18.680 27.490 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.506 -19.928 29.990 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.068 -20.044 27.609 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.142 -20.668 28.859 1.00 0.00 C ATOM 0 H PHE B 26 102.437 -16.157 30.654 1.00 0.00 H new ATOM 0 HA PHE B 26 103.033 -16.941 27.833 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.557 -15.912 29.297 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.622 -16.083 27.554 1.00 0.00 H new ATOM 0 HD1 PHE B 26 101.078 -17.995 30.746 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.300 -18.198 26.525 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.562 -20.410 30.955 1.00 0.00 H new ATOM 0 HE2 PHE B 26 99.787 -20.615 26.736 1.00 0.00 H new ATOM 0 HZ PHE B 26 99.918 -21.721 28.951 1.00 0.00 H new ATOM 1259 N ASN B 27 103.460 -14.054 28.992 1.00 0.00 N ATOM 1260 CA ASN B 27 103.796 -12.641 28.657 1.00 0.00 C ATOM 1261 C ASN B 27 102.540 -11.910 28.173 1.00 0.00 C ATOM 1262 O ASN B 27 102.567 -11.201 27.186 1.00 0.00 O ATOM 1263 CB ASN B 27 104.870 -12.601 27.566 1.00 0.00 C ATOM 1264 CG ASN B 27 106.148 -13.266 28.086 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.596 -12.974 29.176 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.761 -14.148 27.344 1.00 0.00 N ATOM 0 H ASN B 27 103.731 -14.353 29.929 1.00 0.00 H new ATOM 0 HA ASN B 27 104.178 -12.147 29.550 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.516 -13.116 26.673 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.074 -11.570 27.279 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.616 -14.591 27.680 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.385 -14.394 26.428 1.00 0.00 H new ATOM 1273 N LEU B 28 101.442 -12.073 28.871 1.00 0.00 N ATOM 1274 CA LEU B 28 100.165 -11.390 28.479 1.00 0.00 C ATOM 1275 C LEU B 28 99.808 -10.375 29.572 1.00 0.00 C ATOM 1276 O LEU B 28 100.154 -10.565 30.720 1.00 0.00 O ATOM 1277 CB LEU B 28 99.043 -12.433 28.387 1.00 0.00 C ATOM 1278 CG LEU B 28 99.323 -13.411 27.241 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.342 -14.583 27.333 1.00 0.00 C ATOM 1280 CD2 LEU B 28 99.165 -12.705 25.880 1.00 0.00 C ATOM 0 H LEU B 28 101.374 -12.656 29.705 1.00 0.00 H new ATOM 0 HA LEU B 28 100.284 -10.892 27.517 1.00 0.00 H new ATOM 0 HB2 LEU B 28 98.964 -12.977 29.328 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.087 -11.936 28.225 1.00 0.00 H new ATOM 0 HG LEU B 28 100.346 -13.777 27.324 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.535 -15.284 26.521 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.471 -15.091 28.289 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.321 -14.210 27.255 1.00 0.00 H new ATOM 0 HD21 LEU B 28 99.367 -13.414 25.077 1.00 0.00 H new ATOM 0 HD22 LEU B 28 98.147 -12.327 25.782 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.868 -11.875 25.817 1.00 0.00 H new ATOM 1292 N PRO B 29 99.125 -9.304 29.237 1.00 0.00 N ATOM 1293 CA PRO B 29 98.742 -8.273 30.246 1.00 0.00 C ATOM 1294 C PRO B 29 97.642 -8.795 31.193 1.00 0.00 C ATOM 1295 O PRO B 29 96.826 -9.604 30.801 1.00 0.00 O ATOM 1296 CB PRO B 29 98.232 -7.102 29.392 1.00 0.00 C ATOM 1297 CG PRO B 29 97.737 -7.737 28.134 1.00 0.00 C ATOM 1298 CD PRO B 29 98.644 -8.948 27.887 1.00 0.00 C ATOM 0 HA PRO B 29 99.571 -7.992 30.896 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.436 -6.558 29.901 1.00 0.00 H new ATOM 0 HB3 PRO B 29 99.027 -6.385 29.187 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.696 -8.043 28.235 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.784 -7.038 27.299 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.097 -9.771 27.426 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.470 -8.701 27.220 1.00 0.00 H new ATOM 1306 N PRO B 30 97.613 -8.344 32.426 1.00 0.00 N ATOM 1307 CA PRO B 30 96.588 -8.792 33.409 1.00 0.00 C ATOM 1308 C PRO B 30 95.191 -8.911 32.784 1.00 0.00 C ATOM 1309 O PRO B 30 94.313 -9.556 33.319 1.00 0.00 O ATOM 1310 CB PRO B 30 96.599 -7.680 34.469 1.00 0.00 C ATOM 1311 CG PRO B 30 97.982 -7.097 34.428 1.00 0.00 C ATOM 1312 CD PRO B 30 98.544 -7.363 33.020 1.00 0.00 C ATOM 0 HA PRO B 30 96.813 -9.783 33.804 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.847 -6.922 34.250 1.00 0.00 H new ATOM 0 HB3 PRO B 30 96.371 -8.078 35.458 1.00 0.00 H new ATOM 0 HG2 PRO B 30 97.955 -6.027 34.636 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.615 -7.554 35.188 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.585 -6.447 32.430 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.559 -7.758 33.066 1.00 0.00 H new ATOM 1320 N VAL B 31 94.963 -8.266 31.678 1.00 0.00 N ATOM 1321 CA VAL B 31 93.605 -8.318 31.070 1.00 0.00 C ATOM 1322 C VAL B 31 93.219 -9.757 30.735 1.00 0.00 C ATOM 1323 O VAL B 31 92.164 -10.225 31.114 1.00 0.00 O ATOM 1324 CB VAL B 31 93.603 -7.472 29.792 1.00 0.00 C ATOM 1325 CG1 VAL B 31 92.293 -7.678 29.026 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.754 -5.996 30.162 1.00 0.00 C ATOM 0 H VAL B 31 95.651 -7.709 31.171 1.00 0.00 H new ATOM 0 HA VAL B 31 92.879 -7.926 31.782 1.00 0.00 H new ATOM 0 HB VAL B 31 94.435 -7.779 29.158 1.00 0.00 H new ATOM 0 HG11 VAL B 31 92.302 -7.072 28.120 1.00 0.00 H new ATOM 0 HG12 VAL B 31 92.189 -8.730 28.759 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.454 -7.379 29.654 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.753 -5.392 29.255 1.00 0.00 H new ATOM 0 HG22 VAL B 31 92.924 -5.694 30.800 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.693 -5.849 30.695 1.00 0.00 H new ATOM 1336 N VAL B 32 94.054 -10.472 30.047 1.00 0.00 N ATOM 1337 CA VAL B 32 93.706 -11.879 29.719 1.00 0.00 C ATOM 1338 C VAL B 32 93.740 -12.717 30.998 1.00 0.00 C ATOM 1339 O VAL B 32 92.879 -13.539 31.236 1.00 0.00 O ATOM 1340 CB VAL B 32 94.702 -12.424 28.690 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.517 -13.939 28.532 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.448 -11.737 27.343 1.00 0.00 C ATOM 0 H VAL B 32 94.957 -10.149 29.698 1.00 0.00 H new ATOM 0 HA VAL B 32 92.704 -11.927 29.293 1.00 0.00 H new ATOM 0 HB VAL B 32 95.719 -12.224 29.027 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.229 -14.318 27.799 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.688 -14.428 29.491 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.502 -14.148 28.194 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.152 -12.117 26.602 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.429 -11.944 27.015 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.583 -10.661 27.452 1.00 0.00 H new ATOM 1352 N ALA B 33 94.727 -12.510 31.824 1.00 0.00 N ATOM 1353 CA ALA B 33 94.814 -13.291 33.089 1.00 0.00 C ATOM 1354 C ALA B 33 93.626 -12.953 33.995 1.00 0.00 C ATOM 1355 O ALA B 33 93.033 -13.821 34.604 1.00 0.00 O ATOM 1356 CB ALA B 33 96.124 -12.953 33.807 1.00 0.00 C ATOM 0 H ALA B 33 95.477 -11.834 31.678 1.00 0.00 H new ATOM 0 HA ALA B 33 94.790 -14.356 32.857 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.189 -13.524 34.733 1.00 0.00 H new ATOM 0 HB2 ALA B 33 96.967 -13.207 33.164 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.149 -11.887 34.035 1.00 0.00 H new ATOM 1362 N LYS B 34 93.268 -11.701 34.086 1.00 0.00 N ATOM 1363 CA LYS B 34 92.116 -11.313 34.949 1.00 0.00 C ATOM 1364 C LYS B 34 90.833 -11.977 34.443 1.00 0.00 C ATOM 1365 O LYS B 34 90.001 -12.406 35.215 1.00 0.00 O ATOM 1366 CB LYS B 34 91.958 -9.788 34.951 1.00 0.00 C ATOM 1367 CG LYS B 34 93.100 -9.132 35.754 1.00 0.00 C ATOM 1368 CD LYS B 34 92.780 -9.145 37.256 1.00 0.00 C ATOM 1369 CE LYS B 34 93.847 -8.345 38.005 1.00 0.00 C ATOM 1370 NZ LYS B 34 93.917 -6.966 37.445 1.00 0.00 N ATOM 0 H LYS B 34 93.724 -10.929 33.599 1.00 0.00 H new ATOM 0 HA LYS B 34 92.305 -11.650 35.968 1.00 0.00 H new ATOM 0 HB2 LYS B 34 91.963 -9.414 33.927 1.00 0.00 H new ATOM 0 HB3 LYS B 34 90.996 -9.516 35.385 1.00 0.00 H new ATOM 0 HG2 LYS B 34 94.033 -9.664 35.571 1.00 0.00 H new ATOM 0 HG3 LYS B 34 93.247 -8.106 35.417 1.00 0.00 H new ATOM 0 HD2 LYS B 34 91.794 -8.715 37.434 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.751 -10.170 37.625 1.00 0.00 H new ATOM 0 HE2 LYS B 34 93.608 -8.306 39.068 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.816 -8.836 37.914 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 94.306 -6.320 38.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 94.531 -6.963 36.606 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 92.963 -6.651 37.177 1.00 0.00 H new ATOM 1384 N GLU B 35 90.651 -12.041 33.153 1.00 0.00 N ATOM 1385 CA GLU B 35 89.405 -12.655 32.612 1.00 0.00 C ATOM 1386 C GLU B 35 89.291 -14.116 33.062 1.00 0.00 C ATOM 1387 O GLU B 35 88.221 -14.579 33.400 1.00 0.00 O ATOM 1388 CB GLU B 35 89.441 -12.597 31.081 1.00 0.00 C ATOM 1389 CG GLU B 35 88.035 -12.822 30.514 1.00 0.00 C ATOM 1390 CD GLU B 35 87.615 -14.276 30.735 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.490 -15.125 30.787 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.424 -14.518 30.844 1.00 0.00 O ATOM 0 H GLU B 35 91.308 -11.697 32.453 1.00 0.00 H new ATOM 0 HA GLU B 35 88.544 -12.103 32.988 1.00 0.00 H new ATOM 0 HB2 GLU B 35 89.823 -11.630 30.755 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.123 -13.355 30.696 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.326 -12.151 30.999 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.020 -12.587 29.450 1.00 0.00 H new ATOM 1399 N ILE B 36 90.372 -14.849 33.080 1.00 0.00 N ATOM 1400 CA ILE B 36 90.277 -16.270 33.519 1.00 0.00 C ATOM 1401 C ILE B 36 89.783 -16.290 34.966 1.00 0.00 C ATOM 1402 O ILE B 36 88.965 -17.106 35.342 1.00 0.00 O ATOM 1403 CB ILE B 36 91.652 -16.945 33.408 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.116 -16.868 31.944 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.550 -18.419 33.836 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.354 -17.749 31.712 1.00 0.00 C ATOM 0 H ILE B 36 91.304 -14.531 32.814 1.00 0.00 H new ATOM 0 HA ILE B 36 89.581 -16.818 32.885 1.00 0.00 H new ATOM 0 HB ILE B 36 92.365 -16.438 34.058 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.309 -17.188 31.285 1.00 0.00 H new ATOM 0 HG13 ILE B 36 92.347 -15.835 31.686 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.529 -18.890 33.754 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.205 -18.475 34.869 1.00 0.00 H new ATOM 0 HG23 ILE B 36 90.843 -18.938 33.189 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.662 -17.677 30.669 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.167 -17.411 32.354 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.112 -18.785 31.948 1.00 0.00 H new ATOM 1418 N VAL B 37 90.255 -15.384 35.777 1.00 0.00 N ATOM 1419 CA VAL B 37 89.793 -15.341 37.191 1.00 0.00 C ATOM 1420 C VAL B 37 88.285 -15.093 37.209 1.00 0.00 C ATOM 1421 O VAL B 37 87.555 -15.668 37.991 1.00 0.00 O ATOM 1422 CB VAL B 37 90.513 -14.202 37.926 1.00 0.00 C ATOM 1423 CG1 VAL B 37 89.866 -13.964 39.303 1.00 0.00 C ATOM 1424 CG2 VAL B 37 91.988 -14.577 38.107 1.00 0.00 C ATOM 0 H VAL B 37 90.940 -14.673 35.521 1.00 0.00 H new ATOM 0 HA VAL B 37 90.017 -16.286 37.687 1.00 0.00 H new ATOM 0 HB VAL B 37 90.433 -13.287 37.339 1.00 0.00 H new ATOM 0 HG11 VAL B 37 90.386 -13.154 39.814 1.00 0.00 H new ATOM 0 HG12 VAL B 37 88.818 -13.696 39.171 1.00 0.00 H new ATOM 0 HG13 VAL B 37 89.936 -14.873 39.900 1.00 0.00 H new ATOM 0 HG21 VAL B 37 92.507 -13.773 38.629 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.061 -15.494 38.691 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.447 -14.731 37.130 1.00 0.00 H new ATOM 1434 N ALA B 38 87.823 -14.240 36.346 1.00 0.00 N ATOM 1435 CA ALA B 38 86.369 -13.935 36.284 1.00 0.00 C ATOM 1436 C ALA B 38 85.604 -15.165 35.793 1.00 0.00 C ATOM 1437 O ALA B 38 84.517 -15.457 36.251 1.00 0.00 O ATOM 1438 CB ALA B 38 86.152 -12.770 35.319 1.00 0.00 C ATOM 0 H ALA B 38 88.397 -13.734 35.671 1.00 0.00 H new ATOM 0 HA ALA B 38 86.004 -13.666 37.275 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.089 -12.536 35.264 1.00 0.00 H new ATOM 0 HB2 ALA B 38 86.698 -11.896 35.675 1.00 0.00 H new ATOM 0 HB3 ALA B 38 86.514 -13.046 34.329 1.00 0.00 H new ATOM 1444 N SER B 39 86.156 -15.878 34.851 1.00 0.00 N ATOM 1445 CA SER B 39 85.458 -17.079 34.315 1.00 0.00 C ATOM 1446 C SER B 39 85.475 -18.200 35.357 1.00 0.00 C ATOM 1447 O SER B 39 84.501 -18.906 35.535 1.00 0.00 O ATOM 1448 CB SER B 39 86.165 -17.551 33.045 1.00 0.00 C ATOM 1449 OG SER B 39 86.117 -16.519 32.069 1.00 0.00 O ATOM 0 H SER B 39 87.063 -15.680 34.428 1.00 0.00 H new ATOM 0 HA SER B 39 84.424 -16.822 34.085 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.200 -17.810 33.266 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.686 -18.452 32.662 1.00 0.00 H new ATOM 0 HG SER B 39 86.207 -15.648 32.509 1.00 0.00 H new ATOM 1455 N CYS B 40 86.567 -18.371 36.049 1.00 0.00 N ATOM 1456 CA CYS B 40 86.627 -19.450 37.079 1.00 0.00 C ATOM 1457 C CYS B 40 85.854 -19.001 38.323 1.00 0.00 C ATOM 1458 O CYS B 40 86.224 -18.055 38.989 1.00 0.00 O ATOM 1459 CB CYS B 40 88.085 -19.731 37.448 1.00 0.00 C ATOM 1460 SG CYS B 40 88.164 -21.178 38.535 1.00 0.00 S ATOM 0 H CYS B 40 87.416 -17.815 35.948 1.00 0.00 H new ATOM 0 HA CYS B 40 86.180 -20.361 36.681 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.672 -19.907 36.547 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.519 -18.864 37.946 1.00 0.00 H new ATOM 0 HG CYS B 40 89.292 -21.798 38.351 1.00 0.00 H new ATOM 1465 N ASP B 41 84.780 -19.673 38.633 1.00 0.00 N ATOM 1466 CA ASP B 41 83.969 -19.293 39.826 1.00 0.00 C ATOM 1467 C ASP B 41 84.820 -19.388 41.094 1.00 0.00 C ATOM 1468 O ASP B 41 84.721 -18.563 41.980 1.00 0.00 O ATOM 1469 CB ASP B 41 82.765 -20.231 39.950 1.00 0.00 C ATOM 1470 CG ASP B 41 81.768 -19.932 38.828 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.394 -18.778 38.688 1.00 0.00 O ATOM 1472 OD2 ASP B 41 81.396 -20.860 38.130 1.00 0.00 O ATOM 0 H ASP B 41 84.427 -20.474 38.109 1.00 0.00 H new ATOM 0 HA ASP B 41 83.623 -18.267 39.705 1.00 0.00 H new ATOM 0 HB2 ASP B 41 83.092 -21.269 39.893 1.00 0.00 H new ATOM 0 HB3 ASP B 41 82.287 -20.100 40.921 1.00 0.00 H new ATOM 1477 N LYS B 42 85.643 -20.393 41.197 1.00 0.00 N ATOM 1478 CA LYS B 42 86.481 -20.544 42.422 1.00 0.00 C ATOM 1479 C LYS B 42 87.382 -19.318 42.592 1.00 0.00 C ATOM 1480 O LYS B 42 87.548 -18.806 43.682 1.00 0.00 O ATOM 1481 CB LYS B 42 87.363 -21.792 42.287 1.00 0.00 C ATOM 1482 CG LYS B 42 86.493 -23.047 42.118 1.00 0.00 C ATOM 1483 CD LYS B 42 85.757 -23.369 43.428 1.00 0.00 C ATOM 1484 CE LYS B 42 85.284 -24.827 43.412 1.00 0.00 C ATOM 1485 NZ LYS B 42 84.262 -25.010 42.342 1.00 0.00 N ATOM 0 H LYS B 42 85.773 -21.116 40.489 1.00 0.00 H new ATOM 0 HA LYS B 42 85.827 -20.640 43.289 1.00 0.00 H new ATOM 0 HB2 LYS B 42 88.028 -21.684 41.430 1.00 0.00 H new ATOM 0 HB3 LYS B 42 87.995 -21.896 43.169 1.00 0.00 H new ATOM 0 HG2 LYS B 42 85.771 -22.891 41.317 1.00 0.00 H new ATOM 0 HG3 LYS B 42 87.116 -23.892 41.826 1.00 0.00 H new ATOM 0 HD2 LYS B 42 86.418 -23.201 44.278 1.00 0.00 H new ATOM 0 HD3 LYS B 42 84.904 -22.702 43.550 1.00 0.00 H new ATOM 0 HE2 LYS B 42 86.130 -25.492 43.239 1.00 0.00 H new ATOM 0 HE3 LYS B 42 84.862 -25.094 44.381 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 83.857 -25.965 42.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 83.507 -24.304 42.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 84.709 -24.888 41.411 1.00 0.00 H new ATOM 1499 N CYS B 43 87.963 -18.838 41.529 1.00 0.00 N ATOM 1500 CA CYS B 43 88.848 -17.643 41.640 1.00 0.00 C ATOM 1501 C CYS B 43 87.998 -16.369 41.695 1.00 0.00 C ATOM 1502 O CYS B 43 88.441 -15.334 42.152 1.00 0.00 O ATOM 1503 CB CYS B 43 89.765 -17.563 40.423 1.00 0.00 C ATOM 1504 SG CYS B 43 90.582 -19.151 40.158 1.00 0.00 S ATOM 0 H CYS B 43 87.864 -19.220 40.588 1.00 0.00 H new ATOM 0 HA CYS B 43 89.443 -17.733 42.549 1.00 0.00 H new ATOM 0 HB2 CYS B 43 89.187 -17.290 39.540 1.00 0.00 H new ATOM 0 HB3 CYS B 43 90.510 -16.782 40.570 1.00 0.00 H new ATOM 0 HG CYS B 43 89.756 -19.973 39.583 1.00 0.00 H new ATOM 1509 N GLN B 44 86.787 -16.429 41.204 1.00 0.00 N ATOM 1510 CA GLN B 44 85.925 -15.212 41.198 1.00 0.00 C ATOM 1511 C GLN B 44 85.379 -14.945 42.596 1.00 0.00 C ATOM 1512 O GLN B 44 85.779 -14.009 43.260 1.00 0.00 O ATOM 1513 CB GLN B 44 84.754 -15.436 40.242 1.00 0.00 C ATOM 1514 CG GLN B 44 83.973 -14.132 40.072 1.00 0.00 C ATOM 1515 CD GLN B 44 82.847 -14.342 39.061 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.729 -14.645 39.432 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.096 -14.196 37.789 1.00 0.00 N ATOM 0 H GLN B 44 86.360 -17.266 40.808 1.00 0.00 H new ATOM 0 HA GLN B 44 86.519 -14.356 40.877 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.122 -15.780 39.275 1.00 0.00 H new ATOM 0 HB3 GLN B 44 84.099 -16.216 40.630 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.562 -13.814 41.030 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.638 -13.339 39.732 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.034 -13.942 37.479 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.353 -14.336 37.105 1.00 0.00 H new