USER MOD reduce.3.24.130724 H: found=0, std=0, add=670, rem=0, adj=21 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= -3.49! C(o=-6!,f=-9.9!) USER MOD Set 1.2: B 16 HIS : no HD1:sc= -1.1 K(o=-6,f=-7.6!) USER MOD Set 1.3: B 40 CYS SG : rot 160:sc= 0.953 USER MOD Set 1.4: B 43 CYS SG : rot 90:sc= -2.36! USER MOD Set 2.1: A 12 HIS : no HE2:sc= -3.76! C(o=-6.2!,f=-11!) USER MOD Set 2.2: A 16 HIS : no HE2:sc= -1.1 K(o=-6.2,f=-8.2!) USER MOD Set 2.3: A 40 CYS SG : rot 163:sc= 0.905 USER MOD Set 2.4: A 43 CYS SG : rot 90:sc= -2.26! USER MOD Single : A 1 PHE N :NH3+ 153:sc= 0.226 (180deg=0.052) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -66:sc= 0.927 USER MOD Single : A 18 ASN : amide:sc= -0.0471 K(o=-0.047,f=-1.4!) USER MOD Single : A 22 MET CE :methyl 162:sc= -0.406 (180deg=-1.6!) USER MOD Single : A 24 SER OG : rot 78:sc= 0.258 USER MOD Single : A 27 ASN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 72:sc= 0.0899 USER MOD Single : A 42 LYS NZ :NH3+ -163:sc= -1.56 (180deg=-2.32) USER MOD Single : A 44 GLN : amide:sc= -2 K(o=-2,f=-0.58) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 0.286 (180deg=0.0767) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot -74:sc= 0.939 USER MOD Single : B 18 ASN : amide:sc= -0.0279 K(o=-0.028,f=-1.5!) USER MOD Single : B 22 MET CE :methyl 162:sc= -0.45 (180deg=-1.67!) USER MOD Single : B 24 SER OG : rot 78:sc= 0.23 USER MOD Single : B 27 ASN : amide:sc= -0.0111 X(o=-0.011,f=0) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 70:sc= 0.186 USER MOD Single : B 42 LYS NZ :NH3+ -161:sc= -1.56 (180deg=-2.25) USER MOD Single : B 44 GLN : amide:sc= -0.887 K(o=-0.89,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.111 -3.548 23.596 1.00 0.00 N ATOM 2 CA PHE A 1 93.967 -4.066 24.983 1.00 0.00 C ATOM 3 C PHE A 1 93.645 -2.900 25.928 1.00 0.00 C ATOM 4 O PHE A 1 92.504 -2.533 26.116 1.00 0.00 O ATOM 5 CB PHE A 1 95.284 -4.730 25.425 1.00 0.00 C ATOM 6 CG PHE A 1 95.410 -6.114 24.824 1.00 0.00 C ATOM 7 CD1 PHE A 1 96.001 -6.277 23.563 1.00 0.00 C ATOM 8 CD2 PHE A 1 94.950 -7.238 25.531 1.00 0.00 C ATOM 9 CE1 PHE A 1 96.133 -7.559 23.009 1.00 0.00 C ATOM 10 CE2 PHE A 1 95.079 -8.516 24.975 1.00 0.00 C ATOM 11 CZ PHE A 1 95.670 -8.677 23.717 1.00 0.00 C ATOM 0 H1 PHE A 1 94.744 -4.172 23.056 1.00 0.00 H new ATOM 0 H2 PHE A 1 93.178 -3.521 23.137 1.00 0.00 H new ATOM 0 H3 PHE A 1 94.512 -2.589 23.624 1.00 0.00 H new ATOM 0 HA PHE A 1 93.162 -4.800 25.015 1.00 0.00 H new ATOM 0 HB2 PHE A 1 96.129 -4.115 25.116 1.00 0.00 H new ATOM 0 HB3 PHE A 1 95.318 -4.795 26.513 1.00 0.00 H new ATOM 0 HD1 PHE A 1 96.355 -5.415 23.018 1.00 0.00 H new ATOM 0 HD2 PHE A 1 94.497 -7.116 26.504 1.00 0.00 H new ATOM 0 HE1 PHE A 1 96.590 -7.685 22.039 1.00 0.00 H new ATOM 0 HE2 PHE A 1 94.722 -9.379 25.518 1.00 0.00 H new ATOM 0 HZ PHE A 1 95.770 -9.664 23.291 1.00 0.00 H new ATOM 23 N LEU A 2 94.652 -2.325 26.529 1.00 0.00 N ATOM 24 CA LEU A 2 94.436 -1.199 27.483 1.00 0.00 C ATOM 25 C LEU A 2 93.778 0.003 26.786 1.00 0.00 C ATOM 26 O LEU A 2 92.897 0.638 27.335 1.00 0.00 O ATOM 27 CB LEU A 2 95.799 -0.765 28.025 1.00 0.00 C ATOM 28 CG LEU A 2 96.482 -1.936 28.753 1.00 0.00 C ATOM 29 CD1 LEU A 2 97.900 -1.519 29.159 1.00 0.00 C ATOM 30 CD2 LEU A 2 95.682 -2.315 30.010 1.00 0.00 C ATOM 0 H LEU A 2 95.628 -2.591 26.398 1.00 0.00 H new ATOM 0 HA LEU A 2 93.777 -1.536 28.284 1.00 0.00 H new ATOM 0 HB2 LEU A 2 96.430 -0.419 27.206 1.00 0.00 H new ATOM 0 HB3 LEU A 2 95.675 0.075 28.709 1.00 0.00 H new ATOM 0 HG LEU A 2 96.525 -2.797 28.086 1.00 0.00 H new ATOM 0 HD11 LEU A 2 98.388 -2.345 29.675 1.00 0.00 H new ATOM 0 HD12 LEU A 2 98.472 -1.259 28.268 1.00 0.00 H new ATOM 0 HD13 LEU A 2 97.849 -0.656 29.823 1.00 0.00 H new ATOM 0 HD21 LEU A 2 96.174 -3.145 30.518 1.00 0.00 H new ATOM 0 HD22 LEU A 2 95.631 -1.458 30.681 1.00 0.00 H new ATOM 0 HD23 LEU A 2 94.673 -2.612 29.723 1.00 0.00 H new ATOM 42 N ASP A 3 94.199 0.335 25.598 1.00 0.00 N ATOM 43 CA ASP A 3 93.609 1.515 24.896 1.00 0.00 C ATOM 44 C ASP A 3 92.109 1.320 24.663 1.00 0.00 C ATOM 45 O ASP A 3 91.311 2.184 24.968 1.00 0.00 O ATOM 46 CB ASP A 3 94.305 1.691 23.549 1.00 0.00 C ATOM 47 CG ASP A 3 93.708 2.893 22.814 1.00 0.00 C ATOM 48 OD1 ASP A 3 94.143 4.001 23.074 1.00 0.00 O ATOM 49 OD2 ASP A 3 92.819 2.678 22.005 1.00 0.00 O ATOM 0 H ASP A 3 94.926 -0.158 25.080 1.00 0.00 H new ATOM 0 HA ASP A 3 93.751 2.398 25.519 1.00 0.00 H new ATOM 0 HB2 ASP A 3 95.375 1.838 23.698 1.00 0.00 H new ATOM 0 HB3 ASP A 3 94.188 0.790 22.947 1.00 0.00 H new ATOM 54 N GLY A 4 91.715 0.200 24.131 1.00 0.00 N ATOM 55 CA GLY A 4 90.264 -0.028 23.884 1.00 0.00 C ATOM 56 C GLY A 4 89.537 -0.093 25.224 1.00 0.00 C ATOM 57 O GLY A 4 88.404 0.327 25.352 1.00 0.00 O ATOM 0 H GLY A 4 92.331 -0.566 23.857 1.00 0.00 H new ATOM 0 HA2 GLY A 4 89.855 0.776 23.272 1.00 0.00 H new ATOM 0 HA3 GLY A 4 90.117 -0.956 23.331 1.00 0.00 H new ATOM 61 N ILE A 5 90.183 -0.620 26.223 1.00 0.00 N ATOM 62 CA ILE A 5 89.542 -0.725 27.559 1.00 0.00 C ATOM 63 C ILE A 5 89.361 0.665 28.169 1.00 0.00 C ATOM 64 O ILE A 5 88.353 0.958 28.779 1.00 0.00 O ATOM 65 CB ILE A 5 90.432 -1.581 28.463 1.00 0.00 C ATOM 66 CG1 ILE A 5 90.320 -3.046 28.033 1.00 0.00 C ATOM 67 CG2 ILE A 5 90.002 -1.438 29.927 1.00 0.00 C ATOM 68 CD1 ILE A 5 91.441 -3.866 28.681 1.00 0.00 C ATOM 0 H ILE A 5 91.134 -0.985 26.171 1.00 0.00 H new ATOM 0 HA ILE A 5 88.560 -1.187 27.460 1.00 0.00 H new ATOM 0 HB ILE A 5 91.465 -1.245 28.371 1.00 0.00 H new ATOM 0 HG12 ILE A 5 89.349 -3.447 28.325 1.00 0.00 H new ATOM 0 HG13 ILE A 5 90.383 -3.121 26.947 1.00 0.00 H new ATOM 0 HG21 ILE A 5 90.645 -2.053 30.557 1.00 0.00 H new ATOM 0 HG22 ILE A 5 90.087 -0.395 30.231 1.00 0.00 H new ATOM 0 HG23 ILE A 5 88.968 -1.764 30.036 1.00 0.00 H new ATOM 0 HD11 ILE A 5 91.356 -4.908 28.371 1.00 0.00 H new ATOM 0 HD12 ILE A 5 92.408 -3.472 28.368 1.00 0.00 H new ATOM 0 HD13 ILE A 5 91.358 -3.802 29.766 1.00 0.00 H new ATOM 80 N ASP A 6 90.331 1.516 28.027 1.00 0.00 N ATOM 81 CA ASP A 6 90.203 2.874 28.620 1.00 0.00 C ATOM 82 C ASP A 6 89.019 3.597 27.994 1.00 0.00 C ATOM 83 O ASP A 6 88.176 4.139 28.679 1.00 0.00 O ATOM 84 CB ASP A 6 91.470 3.676 28.346 1.00 0.00 C ATOM 85 CG ASP A 6 91.420 4.987 29.130 1.00 0.00 C ATOM 86 OD1 ASP A 6 90.335 5.371 29.535 1.00 0.00 O ATOM 87 OD2 ASP A 6 92.466 5.585 29.315 1.00 0.00 O ATOM 0 H ASP A 6 91.203 1.334 27.530 1.00 0.00 H new ATOM 0 HA ASP A 6 90.052 2.778 29.695 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.348 3.099 28.636 1.00 0.00 H new ATOM 0 HB3 ASP A 6 91.561 3.881 27.279 1.00 0.00 H new ATOM 92 N LYS A 7 88.946 3.615 26.698 1.00 0.00 N ATOM 93 CA LYS A 7 87.812 4.307 26.041 1.00 0.00 C ATOM 94 C LYS A 7 86.526 3.524 26.321 1.00 0.00 C ATOM 95 O LYS A 7 85.479 4.090 26.582 1.00 0.00 O ATOM 96 CB LYS A 7 88.072 4.379 24.536 1.00 0.00 C ATOM 97 CG LYS A 7 87.079 5.345 23.900 1.00 0.00 C ATOM 98 CD LYS A 7 87.348 5.446 22.399 1.00 0.00 C ATOM 99 CE LYS A 7 86.375 6.446 21.772 1.00 0.00 C ATOM 100 NZ LYS A 7 86.705 6.620 20.332 1.00 0.00 N ATOM 0 H LYS A 7 89.620 3.182 26.067 1.00 0.00 H new ATOM 0 HA LYS A 7 87.708 5.320 26.431 1.00 0.00 H new ATOM 0 HB2 LYS A 7 89.093 4.712 24.347 1.00 0.00 H new ATOM 0 HB3 LYS A 7 87.971 3.390 24.090 1.00 0.00 H new ATOM 0 HG2 LYS A 7 86.060 5.001 24.074 1.00 0.00 H new ATOM 0 HG3 LYS A 7 87.167 6.328 24.362 1.00 0.00 H new ATOM 0 HD2 LYS A 7 88.376 5.764 22.224 1.00 0.00 H new ATOM 0 HD3 LYS A 7 87.232 4.468 21.932 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.350 6.091 21.881 1.00 0.00 H new ATOM 0 HE3 LYS A 7 86.437 7.404 22.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.044 7.300 19.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 87.677 6.977 20.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.624 5.705 19.844 1.00 0.00 H new ATOM 114 N ALA A 8 86.605 2.223 26.281 1.00 0.00 N ATOM 115 CA ALA A 8 85.403 1.383 26.554 1.00 0.00 C ATOM 116 C ALA A 8 85.025 1.478 28.037 1.00 0.00 C ATOM 117 O ALA A 8 83.863 1.528 28.384 1.00 0.00 O ATOM 118 CB ALA A 8 85.703 -0.072 26.197 1.00 0.00 C ATOM 0 H ALA A 8 87.456 1.701 26.070 1.00 0.00 H new ATOM 0 HA ALA A 8 84.571 1.743 25.948 1.00 0.00 H new ATOM 0 HB1 ALA A 8 84.824 -0.684 26.397 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.961 -0.142 25.140 1.00 0.00 H new ATOM 0 HB3 ALA A 8 86.539 -0.429 26.799 1.00 0.00 H new ATOM 124 N GLN A 9 85.998 1.486 28.914 1.00 0.00 N ATOM 125 CA GLN A 9 85.684 1.559 30.372 1.00 0.00 C ATOM 126 C GLN A 9 84.941 2.860 30.661 1.00 0.00 C ATOM 127 O GLN A 9 85.357 3.929 30.261 1.00 0.00 O ATOM 128 CB GLN A 9 86.981 1.523 31.186 1.00 0.00 C ATOM 129 CG GLN A 9 86.651 1.536 32.682 1.00 0.00 C ATOM 130 CD GLN A 9 87.944 1.488 33.494 1.00 0.00 C ATOM 131 OE1 GLN A 9 88.458 0.423 33.775 1.00 0.00 O ATOM 132 NE2 GLN A 9 88.492 2.602 33.897 1.00 0.00 N ATOM 0 H GLN A 9 86.991 1.445 28.684 1.00 0.00 H new ATOM 0 HA GLN A 9 85.062 0.708 30.651 1.00 0.00 H new ATOM 0 HB2 GLN A 9 87.553 0.629 30.938 1.00 0.00 H new ATOM 0 HB3 GLN A 9 87.604 2.381 30.934 1.00 0.00 H new ATOM 0 HG2 GLN A 9 86.086 2.434 32.932 1.00 0.00 H new ATOM 0 HG3 GLN A 9 86.021 0.683 32.933 1.00 0.00 H new ATOM 0 HE21 GLN A 9 88.062 3.496 33.662 1.00 0.00 H new ATOM 0 HE22 GLN A 9 89.351 2.578 34.447 1.00 0.00 H new ATOM 141 N GLU A 10 83.834 2.772 31.350 1.00 0.00 N ATOM 142 CA GLU A 10 83.041 3.995 31.667 1.00 0.00 C ATOM 143 C GLU A 10 82.282 3.781 32.980 1.00 0.00 C ATOM 144 O GLU A 10 82.546 2.849 33.714 1.00 0.00 O ATOM 145 CB GLU A 10 82.035 4.262 30.544 1.00 0.00 C ATOM 146 CG GLU A 10 82.760 4.812 29.312 1.00 0.00 C ATOM 147 CD GLU A 10 81.734 5.156 28.234 1.00 0.00 C ATOM 148 OE1 GLU A 10 81.183 4.235 27.655 1.00 0.00 O ATOM 149 OE2 GLU A 10 81.516 6.335 28.007 1.00 0.00 O ATOM 0 H GLU A 10 83.443 1.901 31.708 1.00 0.00 H new ATOM 0 HA GLU A 10 83.714 4.847 31.763 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.511 3.341 30.287 1.00 0.00 H new ATOM 0 HB3 GLU A 10 81.282 4.974 30.881 1.00 0.00 H new ATOM 0 HG2 GLU A 10 83.334 5.699 29.580 1.00 0.00 H new ATOM 0 HG3 GLU A 10 83.469 4.075 28.934 1.00 0.00 H new ATOM 156 N GLU A 11 81.341 4.634 33.277 1.00 0.00 N ATOM 157 CA GLU A 11 80.564 4.473 34.537 1.00 0.00 C ATOM 158 C GLU A 11 79.653 3.253 34.402 1.00 0.00 C ATOM 159 O GLU A 11 79.357 2.804 33.310 1.00 0.00 O ATOM 160 CB GLU A 11 79.711 5.723 34.789 1.00 0.00 C ATOM 161 CG GLU A 11 80.618 6.905 35.149 1.00 0.00 C ATOM 162 CD GLU A 11 81.299 7.440 33.885 1.00 0.00 C ATOM 163 OE1 GLU A 11 80.908 7.034 32.803 1.00 0.00 O ATOM 164 OE2 GLU A 11 82.209 8.242 34.023 1.00 0.00 O ATOM 0 H GLU A 11 81.077 5.434 32.702 1.00 0.00 H new ATOM 0 HA GLU A 11 81.249 4.337 35.374 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.125 5.960 33.901 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.004 5.536 35.597 1.00 0.00 H new ATOM 0 HG2 GLU A 11 80.032 7.695 35.620 1.00 0.00 H new ATOM 0 HG3 GLU A 11 81.370 6.591 35.873 1.00 0.00 H new ATOM 171 N HIS A 12 79.222 2.700 35.500 1.00 0.00 N ATOM 172 CA HIS A 12 78.346 1.497 35.435 1.00 0.00 C ATOM 173 C HIS A 12 77.018 1.864 34.780 1.00 0.00 C ATOM 174 O HIS A 12 75.985 1.902 35.417 1.00 0.00 O ATOM 175 CB HIS A 12 78.096 0.986 36.853 1.00 0.00 C ATOM 176 CG HIS A 12 77.126 -0.164 36.818 1.00 0.00 C ATOM 177 ND1 HIS A 12 77.532 -1.474 36.598 1.00 0.00 N ATOM 178 CD2 HIS A 12 75.766 -0.221 37.010 1.00 0.00 C ATOM 179 CE1 HIS A 12 76.434 -2.258 36.671 1.00 0.00 C ATOM 180 NE2 HIS A 12 75.337 -1.541 36.916 1.00 0.00 N ATOM 0 H HIS A 12 79.438 3.029 36.441 1.00 0.00 H new ATOM 0 HA HIS A 12 78.832 0.720 34.845 1.00 0.00 H new ATOM 0 HB2 HIS A 12 79.035 0.668 37.305 1.00 0.00 H new ATOM 0 HB3 HIS A 12 77.699 1.789 37.474 1.00 0.00 H new ATOM 0 HD1 HIS A 12 78.485 -1.787 36.415 1.00 0.00 H new ATOM 0 HD2 HIS A 12 75.128 0.629 37.204 1.00 0.00 H new ATOM 0 HE1 HIS A 12 76.444 -3.331 36.547 1.00 0.00 H new ATOM 188 N GLU A 13 77.041 2.130 33.505 1.00 0.00 N ATOM 189 CA GLU A 13 75.786 2.492 32.790 1.00 0.00 C ATOM 190 C GLU A 13 75.072 1.215 32.339 1.00 0.00 C ATOM 191 O GLU A 13 75.383 0.125 32.779 1.00 0.00 O ATOM 192 CB GLU A 13 76.130 3.342 31.570 1.00 0.00 C ATOM 193 CG GLU A 13 76.672 4.695 32.029 1.00 0.00 C ATOM 194 CD GLU A 13 77.026 5.544 30.808 1.00 0.00 C ATOM 195 OE1 GLU A 13 78.012 5.232 30.159 1.00 0.00 O ATOM 196 OE2 GLU A 13 76.306 6.490 30.543 1.00 0.00 O ATOM 0 H GLU A 13 77.879 2.112 32.924 1.00 0.00 H new ATOM 0 HA GLU A 13 75.133 3.056 33.456 1.00 0.00 H new ATOM 0 HB2 GLU A 13 76.871 2.831 30.955 1.00 0.00 H new ATOM 0 HB3 GLU A 13 75.244 3.484 30.951 1.00 0.00 H new ATOM 0 HG2 GLU A 13 75.929 5.208 32.639 1.00 0.00 H new ATOM 0 HG3 GLU A 13 77.554 4.552 32.654 1.00 0.00 H new ATOM 203 N LYS A 14 74.119 1.347 31.460 1.00 0.00 N ATOM 204 CA LYS A 14 73.372 0.159 30.963 1.00 0.00 C ATOM 205 C LYS A 14 74.284 -0.693 30.079 1.00 0.00 C ATOM 206 O LYS A 14 74.098 -1.886 29.931 1.00 0.00 O ATOM 207 CB LYS A 14 72.170 0.633 30.158 1.00 0.00 C ATOM 208 CG LYS A 14 71.196 1.326 31.110 1.00 0.00 C ATOM 209 CD LYS A 14 69.975 1.818 30.337 1.00 0.00 C ATOM 210 CE LYS A 14 69.008 2.500 31.305 1.00 0.00 C ATOM 211 NZ LYS A 14 67.720 2.771 30.612 1.00 0.00 N ATOM 0 H LYS A 14 73.823 2.237 31.060 1.00 0.00 H new ATOM 0 HA LYS A 14 73.035 -0.444 31.807 1.00 0.00 H new ATOM 0 HB2 LYS A 14 72.486 1.320 29.373 1.00 0.00 H new ATOM 0 HB3 LYS A 14 71.685 -0.211 29.667 1.00 0.00 H new ATOM 0 HG2 LYS A 14 70.887 0.635 31.894 1.00 0.00 H new ATOM 0 HG3 LYS A 14 71.689 2.165 31.601 1.00 0.00 H new ATOM 0 HD2 LYS A 14 70.280 2.516 29.557 1.00 0.00 H new ATOM 0 HD3 LYS A 14 69.482 0.982 29.841 1.00 0.00 H new ATOM 0 HE2 LYS A 14 68.839 1.865 32.174 1.00 0.00 H new ATOM 0 HE3 LYS A 14 69.440 3.432 31.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 67.062 3.235 31.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 67.889 3.393 29.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 67.307 1.875 30.284 1.00 0.00 H new ATOM 225 N TYR A 15 75.267 -0.087 29.483 1.00 0.00 N ATOM 226 CA TYR A 15 76.187 -0.846 28.598 1.00 0.00 C ATOM 227 C TYR A 15 76.867 -1.953 29.405 1.00 0.00 C ATOM 228 O TYR A 15 77.109 -3.035 28.905 1.00 0.00 O ATOM 229 CB TYR A 15 77.247 0.104 28.032 1.00 0.00 C ATOM 230 CG TYR A 15 76.652 0.897 26.894 1.00 0.00 C ATOM 231 CD1 TYR A 15 76.648 0.361 25.601 1.00 0.00 C ATOM 232 CD2 TYR A 15 76.101 2.161 27.133 1.00 0.00 C ATOM 233 CE1 TYR A 15 76.094 1.090 24.545 1.00 0.00 C ATOM 234 CE2 TYR A 15 75.544 2.890 26.077 1.00 0.00 C ATOM 235 CZ TYR A 15 75.542 2.355 24.782 1.00 0.00 C ATOM 236 OH TYR A 15 74.994 3.072 23.739 1.00 0.00 O ATOM 0 H TYR A 15 75.474 0.908 29.571 1.00 0.00 H new ATOM 0 HA TYR A 15 75.624 -1.290 27.777 1.00 0.00 H new ATOM 0 HB2 TYR A 15 77.602 0.777 28.812 1.00 0.00 H new ATOM 0 HB3 TYR A 15 78.110 -0.463 27.683 1.00 0.00 H new ATOM 0 HD1 TYR A 15 77.073 -0.615 25.419 1.00 0.00 H new ATOM 0 HD2 TYR A 15 76.106 2.573 28.131 1.00 0.00 H new ATOM 0 HE1 TYR A 15 76.092 0.678 23.547 1.00 0.00 H new ATOM 0 HE2 TYR A 15 75.116 3.865 26.260 1.00 0.00 H new ATOM 0 HH TYR A 15 74.654 3.928 24.074 1.00 0.00 H new ATOM 246 N HIS A 16 77.174 -1.703 30.646 1.00 0.00 N ATOM 247 CA HIS A 16 77.838 -2.763 31.455 1.00 0.00 C ATOM 248 C HIS A 16 76.921 -3.986 31.532 1.00 0.00 C ATOM 249 O HIS A 16 77.373 -5.109 31.432 1.00 0.00 O ATOM 250 CB HIS A 16 78.105 -2.244 32.878 1.00 0.00 C ATOM 251 CG HIS A 16 79.341 -1.390 32.900 1.00 0.00 C ATOM 252 ND1 HIS A 16 80.063 -1.162 34.067 1.00 0.00 N ATOM 253 CD2 HIS A 16 80.006 -0.715 31.909 1.00 0.00 C ATOM 254 CE1 HIS A 16 81.110 -0.382 33.746 1.00 0.00 C ATOM 255 NE2 HIS A 16 81.121 -0.083 32.446 1.00 0.00 N ATOM 0 H HIS A 16 76.997 -0.823 31.131 1.00 0.00 H new ATOM 0 HA HIS A 16 78.784 -3.034 30.986 1.00 0.00 H new ATOM 0 HB2 HIS A 16 77.250 -1.666 33.228 1.00 0.00 H new ATOM 0 HB3 HIS A 16 78.223 -3.084 33.562 1.00 0.00 H new ATOM 0 HD1 HIS A 16 79.839 -1.521 34.995 1.00 0.00 H new ATOM 0 HD2 HIS A 16 79.709 -0.680 30.871 1.00 0.00 H new ATOM 0 HE1 HIS A 16 81.851 -0.040 34.453 1.00 0.00 H new ATOM 263 N SER A 17 75.644 -3.787 31.692 1.00 0.00 N ATOM 264 CA SER A 17 74.733 -4.961 31.756 1.00 0.00 C ATOM 265 C SER A 17 74.806 -5.713 30.426 1.00 0.00 C ATOM 266 O SER A 17 74.958 -6.920 30.391 1.00 0.00 O ATOM 267 CB SER A 17 73.299 -4.491 32.014 1.00 0.00 C ATOM 268 OG SER A 17 72.814 -3.802 30.868 1.00 0.00 O ATOM 0 H SER A 17 75.196 -2.875 31.780 1.00 0.00 H new ATOM 0 HA SER A 17 75.035 -5.622 32.569 1.00 0.00 H new ATOM 0 HB2 SER A 17 72.659 -5.345 32.236 1.00 0.00 H new ATOM 0 HB3 SER A 17 73.270 -3.836 32.885 1.00 0.00 H new ATOM 0 HG SER A 17 73.321 -2.972 30.746 1.00 0.00 H new ATOM 274 N ASN A 18 74.715 -5.007 29.328 1.00 0.00 N ATOM 275 CA ASN A 18 74.795 -5.672 27.992 1.00 0.00 C ATOM 276 C ASN A 18 76.249 -5.649 27.509 1.00 0.00 C ATOM 277 O ASN A 18 76.663 -4.747 26.808 1.00 0.00 O ATOM 278 CB ASN A 18 73.916 -4.909 26.998 1.00 0.00 C ATOM 279 CG ASN A 18 72.445 -5.110 27.363 1.00 0.00 C ATOM 280 OD1 ASN A 18 72.070 -6.146 27.874 1.00 0.00 O ATOM 281 ND2 ASN A 18 71.593 -4.150 27.130 1.00 0.00 N ATOM 0 H ASN A 18 74.588 -3.995 29.299 1.00 0.00 H new ATOM 0 HA ASN A 18 74.450 -6.703 28.068 1.00 0.00 H new ATOM 0 HB2 ASN A 18 74.165 -3.848 27.016 1.00 0.00 H new ATOM 0 HB3 ASN A 18 74.102 -5.263 25.984 1.00 0.00 H new ATOM 0 HD21 ASN A 18 70.611 -4.269 27.377 1.00 0.00 H new ATOM 0 HD22 ASN A 18 71.909 -3.280 26.701 1.00 0.00 H new ATOM 288 N TRP A 19 77.031 -6.627 27.882 1.00 0.00 N ATOM 289 CA TRP A 19 78.457 -6.649 27.441 1.00 0.00 C ATOM 290 C TRP A 19 78.538 -6.959 25.945 1.00 0.00 C ATOM 291 O TRP A 19 79.457 -6.548 25.267 1.00 0.00 O ATOM 292 CB TRP A 19 79.248 -7.688 28.244 1.00 0.00 C ATOM 293 CG TRP A 19 78.836 -9.076 27.869 1.00 0.00 C ATOM 294 CD1 TRP A 19 77.981 -9.847 28.576 1.00 0.00 C ATOM 295 CD2 TRP A 19 79.259 -9.874 26.725 1.00 0.00 C ATOM 296 NE1 TRP A 19 77.848 -11.067 27.938 1.00 0.00 N ATOM 297 CE2 TRP A 19 78.616 -11.133 26.795 1.00 0.00 C ATOM 298 CE3 TRP A 19 80.127 -9.633 25.645 1.00 0.00 C ATOM 299 CZ2 TRP A 19 78.828 -12.118 25.830 1.00 0.00 C ATOM 300 CZ3 TRP A 19 80.340 -10.621 24.671 1.00 0.00 C ATOM 301 CH2 TRP A 19 79.693 -11.860 24.765 1.00 0.00 C ATOM 0 H TRP A 19 76.746 -7.409 28.471 1.00 0.00 H new ATOM 0 HA TRP A 19 78.895 -5.667 27.621 1.00 0.00 H new ATOM 0 HB2 TRP A 19 80.315 -7.559 28.062 1.00 0.00 H new ATOM 0 HB3 TRP A 19 79.085 -7.531 29.310 1.00 0.00 H new ATOM 0 HD1 TRP A 19 77.483 -9.558 29.490 1.00 0.00 H new ATOM 0 HE1 TRP A 19 77.254 -11.826 28.273 1.00 0.00 H new ATOM 0 HE3 TRP A 19 80.633 -8.682 25.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 78.327 -13.072 25.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 81.007 -10.425 23.844 1.00 0.00 H new ATOM 0 HH2 TRP A 19 79.864 -12.616 24.013 1.00 0.00 H new ATOM 312 N ARG A 20 77.597 -7.700 25.428 1.00 0.00 N ATOM 313 CA ARG A 20 77.645 -8.051 23.980 1.00 0.00 C ATOM 314 C ARG A 20 77.600 -6.772 23.141 1.00 0.00 C ATOM 315 O ARG A 20 78.287 -6.650 22.149 1.00 0.00 O ATOM 316 CB ARG A 20 76.431 -8.918 23.637 1.00 0.00 C ATOM 317 CG ARG A 20 76.559 -10.276 24.329 1.00 0.00 C ATOM 318 CD ARG A 20 75.321 -11.123 24.030 1.00 0.00 C ATOM 319 NE ARG A 20 75.441 -12.443 24.705 1.00 0.00 N ATOM 320 CZ ARG A 20 74.378 -13.177 24.879 1.00 0.00 C ATOM 321 NH1 ARG A 20 73.225 -12.769 24.428 1.00 0.00 N ATOM 322 NH2 ARG A 20 74.471 -14.324 25.496 1.00 0.00 N ATOM 0 H ARG A 20 76.800 -8.076 25.942 1.00 0.00 H new ATOM 0 HA ARG A 20 78.565 -8.595 23.766 1.00 0.00 H new ATOM 0 HB2 ARG A 20 75.515 -8.421 23.956 1.00 0.00 H new ATOM 0 HB3 ARG A 20 76.361 -9.054 22.558 1.00 0.00 H new ATOM 0 HG2 ARG A 20 77.456 -10.789 23.982 1.00 0.00 H new ATOM 0 HG3 ARG A 20 76.667 -10.139 25.405 1.00 0.00 H new ATOM 0 HD2 ARG A 20 74.424 -10.608 24.375 1.00 0.00 H new ATOM 0 HD3 ARG A 20 75.215 -11.262 22.954 1.00 0.00 H new ATOM 0 HE ARG A 20 76.350 -12.772 25.030 1.00 0.00 H new ATOM 0 HH11 ARG A 20 73.155 -11.876 23.940 1.00 0.00 H new ATOM 0 HH12 ARG A 20 72.392 -13.343 24.564 1.00 0.00 H new ATOM 0 HH21 ARG A 20 75.375 -14.645 25.842 1.00 0.00 H new ATOM 0 HH22 ARG A 20 73.639 -14.899 25.632 1.00 0.00 H new ATOM 336 N ALA A 21 76.801 -5.817 23.531 1.00 0.00 N ATOM 337 CA ALA A 21 76.721 -4.550 22.748 1.00 0.00 C ATOM 338 C ALA A 21 78.092 -3.869 22.721 1.00 0.00 C ATOM 339 O ALA A 21 78.563 -3.437 21.686 1.00 0.00 O ATOM 340 CB ALA A 21 75.697 -3.608 23.391 1.00 0.00 C ATOM 0 H ALA A 21 76.202 -5.858 24.355 1.00 0.00 H new ATOM 0 HA ALA A 21 76.412 -4.781 21.729 1.00 0.00 H new ATOM 0 HB1 ALA A 21 75.642 -2.684 22.816 1.00 0.00 H new ATOM 0 HB2 ALA A 21 74.718 -4.088 23.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 76.002 -3.382 24.413 1.00 0.00 H new ATOM 346 N MET A 22 78.734 -3.760 23.853 1.00 0.00 N ATOM 347 CA MET A 22 80.070 -3.098 23.899 1.00 0.00 C ATOM 348 C MET A 22 81.077 -3.892 23.062 1.00 0.00 C ATOM 349 O MET A 22 81.885 -3.331 22.353 1.00 0.00 O ATOM 350 CB MET A 22 80.540 -3.031 25.356 1.00 0.00 C ATOM 351 CG MET A 22 81.820 -2.198 25.455 1.00 0.00 C ATOM 352 SD MET A 22 82.331 -2.069 27.191 1.00 0.00 S ATOM 353 CE MET A 22 82.601 -3.832 27.507 1.00 0.00 C ATOM 0 H MET A 22 78.390 -4.102 24.750 1.00 0.00 H new ATOM 0 HA MET A 22 79.995 -2.091 23.490 1.00 0.00 H new ATOM 0 HB2 MET A 22 79.761 -2.591 25.978 1.00 0.00 H new ATOM 0 HB3 MET A 22 80.721 -4.037 25.735 1.00 0.00 H new ATOM 0 HG2 MET A 22 82.612 -2.659 24.866 1.00 0.00 H new ATOM 0 HG3 MET A 22 81.652 -1.204 25.040 1.00 0.00 H new ATOM 0 HE1 MET A 22 83.215 -3.952 28.399 1.00 0.00 H new ATOM 0 HE2 MET A 22 81.641 -4.326 27.658 1.00 0.00 H new ATOM 0 HE3 MET A 22 83.109 -4.281 26.654 1.00 0.00 H new ATOM 363 N ALA A 23 81.029 -5.193 23.125 1.00 0.00 N ATOM 364 CA ALA A 23 81.983 -6.007 22.318 1.00 0.00 C ATOM 365 C ALA A 23 81.728 -5.759 20.827 1.00 0.00 C ATOM 366 O ALA A 23 82.646 -5.614 20.046 1.00 0.00 O ATOM 367 CB ALA A 23 81.785 -7.491 22.635 1.00 0.00 C ATOM 0 H ALA A 23 80.375 -5.727 23.697 1.00 0.00 H new ATOM 0 HA ALA A 23 83.006 -5.720 22.563 1.00 0.00 H new ATOM 0 HB1 ALA A 23 82.483 -8.085 22.045 1.00 0.00 H new ATOM 0 HB2 ALA A 23 81.968 -7.664 23.696 1.00 0.00 H new ATOM 0 HB3 ALA A 23 80.763 -7.782 22.391 1.00 0.00 H new ATOM 373 N SER A 24 80.485 -5.705 20.434 1.00 0.00 N ATOM 374 CA SER A 24 80.163 -5.460 18.995 1.00 0.00 C ATOM 375 C SER A 24 80.571 -4.039 18.609 1.00 0.00 C ATOM 376 O SER A 24 81.081 -3.795 17.533 1.00 0.00 O ATOM 377 CB SER A 24 78.658 -5.625 18.778 1.00 0.00 C ATOM 378 OG SER A 24 78.282 -6.957 19.093 1.00 0.00 O ATOM 0 H SER A 24 79.677 -5.820 21.045 1.00 0.00 H new ATOM 0 HA SER A 24 80.708 -6.175 18.378 1.00 0.00 H new ATOM 0 HB2 SER A 24 78.109 -4.922 19.405 1.00 0.00 H new ATOM 0 HB3 SER A 24 78.401 -5.397 17.744 1.00 0.00 H new ATOM 0 HG SER A 24 78.230 -7.061 20.066 1.00 0.00 H new ATOM 384 N ASP A 25 80.341 -3.100 19.481 1.00 0.00 N ATOM 385 CA ASP A 25 80.699 -1.688 19.180 1.00 0.00 C ATOM 386 C ASP A 25 82.205 -1.575 18.942 1.00 0.00 C ATOM 387 O ASP A 25 82.651 -0.859 18.070 1.00 0.00 O ATOM 388 CB ASP A 25 80.294 -0.807 20.361 1.00 0.00 C ATOM 389 CG ASP A 25 78.769 -0.667 20.401 1.00 0.00 C ATOM 390 OD1 ASP A 25 78.141 -0.935 19.390 1.00 0.00 O ATOM 391 OD2 ASP A 25 78.260 -0.288 21.440 1.00 0.00 O ATOM 0 H ASP A 25 79.917 -3.251 20.396 1.00 0.00 H new ATOM 0 HA ASP A 25 80.174 -1.361 18.282 1.00 0.00 H new ATOM 0 HB2 ASP A 25 80.653 -1.243 21.293 1.00 0.00 H new ATOM 0 HB3 ASP A 25 80.757 0.176 20.270 1.00 0.00 H new ATOM 396 N PHE A 26 82.993 -2.271 19.722 1.00 0.00 N ATOM 397 CA PHE A 26 84.480 -2.210 19.556 1.00 0.00 C ATOM 398 C PHE A 26 84.979 -3.443 18.801 1.00 0.00 C ATOM 399 O PHE A 26 86.161 -3.598 18.568 1.00 0.00 O ATOM 400 CB PHE A 26 85.140 -2.161 20.935 1.00 0.00 C ATOM 401 CG PHE A 26 84.940 -0.791 21.536 1.00 0.00 C ATOM 402 CD1 PHE A 26 85.873 0.222 21.286 1.00 0.00 C ATOM 403 CD2 PHE A 26 83.819 -0.531 22.337 1.00 0.00 C ATOM 404 CE1 PHE A 26 85.689 1.493 21.837 1.00 0.00 C ATOM 405 CE2 PHE A 26 83.636 0.744 22.887 1.00 0.00 C ATOM 406 CZ PHE A 26 84.571 1.755 22.638 1.00 0.00 C ATOM 0 H PHE A 26 82.670 -2.883 20.471 1.00 0.00 H new ATOM 0 HA PHE A 26 84.738 -1.317 18.987 1.00 0.00 H new ATOM 0 HB2 PHE A 26 84.708 -2.922 21.585 1.00 0.00 H new ATOM 0 HB3 PHE A 26 86.204 -2.381 20.850 1.00 0.00 H new ATOM 0 HD1 PHE A 26 86.735 0.021 20.667 1.00 0.00 H new ATOM 0 HD2 PHE A 26 83.098 -1.312 22.529 1.00 0.00 H new ATOM 0 HE1 PHE A 26 86.410 2.274 21.645 1.00 0.00 H new ATOM 0 HE2 PHE A 26 82.773 0.947 23.504 1.00 0.00 H new ATOM 0 HZ PHE A 26 84.430 2.737 23.064 1.00 0.00 H new ATOM 416 N ASN A 27 84.095 -4.320 18.414 1.00 0.00 N ATOM 417 CA ASN A 27 84.526 -5.538 17.667 1.00 0.00 C ATOM 418 C ASN A 27 85.618 -6.275 18.449 1.00 0.00 C ATOM 419 O ASN A 27 86.619 -6.685 17.894 1.00 0.00 O ATOM 420 CB ASN A 27 85.071 -5.133 16.294 1.00 0.00 C ATOM 421 CG ASN A 27 83.975 -4.414 15.506 1.00 0.00 C ATOM 422 OD1 ASN A 27 84.153 -3.290 15.080 1.00 0.00 O ATOM 423 ND2 ASN A 27 82.840 -5.019 15.298 1.00 0.00 N ATOM 0 H ASN A 27 83.092 -4.247 18.582 1.00 0.00 H new ATOM 0 HA ASN A 27 83.668 -6.198 17.541 1.00 0.00 H new ATOM 0 HB2 ASN A 27 85.937 -4.482 16.412 1.00 0.00 H new ATOM 0 HB3 ASN A 27 85.407 -6.015 15.749 1.00 0.00 H new ATOM 0 HD21 ASN A 27 82.100 -4.549 14.777 1.00 0.00 H new ATOM 0 HD22 ASN A 27 82.692 -5.963 15.656 1.00 0.00 H new ATOM 430 N LEU A 28 85.427 -6.455 19.733 1.00 0.00 N ATOM 431 CA LEU A 28 86.439 -7.171 20.573 1.00 0.00 C ATOM 432 C LEU A 28 85.808 -8.456 21.096 1.00 0.00 C ATOM 433 O LEU A 28 84.606 -8.535 21.242 1.00 0.00 O ATOM 434 CB LEU A 28 86.815 -6.275 21.759 1.00 0.00 C ATOM 435 CG LEU A 28 87.655 -5.084 21.271 1.00 0.00 C ATOM 436 CD1 LEU A 28 87.666 -3.996 22.350 1.00 0.00 C ATOM 437 CD2 LEU A 28 89.103 -5.531 20.985 1.00 0.00 C ATOM 0 H LEU A 28 84.603 -6.133 20.241 1.00 0.00 H new ATOM 0 HA LEU A 28 87.329 -7.402 19.987 1.00 0.00 H new ATOM 0 HB2 LEU A 28 85.913 -5.916 22.255 1.00 0.00 H new ATOM 0 HB3 LEU A 28 87.377 -6.849 22.496 1.00 0.00 H new ATOM 0 HG LEU A 28 87.216 -4.694 20.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 88.261 -3.150 22.007 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.645 -3.667 22.545 1.00 0.00 H new ATOM 0 HD13 LEU A 28 88.099 -4.397 23.266 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.686 -4.677 20.640 1.00 0.00 H new ATOM 0 HD22 LEU A 28 89.548 -5.930 21.897 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.100 -6.303 20.215 1.00 0.00 H new ATOM 449 N PRO A 29 86.595 -9.462 21.384 1.00 0.00 N ATOM 450 CA PRO A 29 86.053 -10.742 21.900 1.00 0.00 C ATOM 451 C PRO A 29 85.515 -10.566 23.321 1.00 0.00 C ATOM 452 O PRO A 29 85.870 -9.630 24.011 1.00 0.00 O ATOM 453 CB PRO A 29 87.252 -11.700 21.868 1.00 0.00 C ATOM 454 CG PRO A 29 88.457 -10.815 21.946 1.00 0.00 C ATOM 455 CD PRO A 29 88.067 -9.502 21.256 1.00 0.00 C ATOM 0 HA PRO A 29 85.216 -11.115 21.310 1.00 0.00 H new ATOM 0 HB2 PRO A 29 87.221 -12.399 22.704 1.00 0.00 H new ATOM 0 HB3 PRO A 29 87.258 -12.295 20.955 1.00 0.00 H new ATOM 0 HG2 PRO A 29 88.745 -10.640 22.983 1.00 0.00 H new ATOM 0 HG3 PRO A 29 89.312 -11.276 21.451 1.00 0.00 H new ATOM 0 HD2 PRO A 29 88.534 -8.643 21.737 1.00 0.00 H new ATOM 0 HD3 PRO A 29 88.378 -9.491 20.212 1.00 0.00 H new ATOM 463 N PRO A 30 84.661 -11.445 23.753 1.00 0.00 N ATOM 464 CA PRO A 30 84.065 -11.364 25.112 1.00 0.00 C ATOM 465 C PRO A 30 85.141 -11.269 26.202 1.00 0.00 C ATOM 466 O PRO A 30 84.882 -10.836 27.305 1.00 0.00 O ATOM 467 CB PRO A 30 83.241 -12.667 25.243 1.00 0.00 C ATOM 468 CG PRO A 30 83.687 -13.547 24.111 1.00 0.00 C ATOM 469 CD PRO A 30 84.169 -12.611 23.009 1.00 0.00 C ATOM 0 HA PRO A 30 83.455 -10.470 25.240 1.00 0.00 H new ATOM 0 HB2 PRO A 30 83.419 -13.147 26.205 1.00 0.00 H new ATOM 0 HB3 PRO A 30 82.172 -12.462 25.182 1.00 0.00 H new ATOM 0 HG2 PRO A 30 84.486 -14.217 24.430 1.00 0.00 H new ATOM 0 HG3 PRO A 30 82.867 -14.173 23.759 1.00 0.00 H new ATOM 0 HD2 PRO A 30 84.956 -13.067 22.408 1.00 0.00 H new ATOM 0 HD3 PRO A 30 83.362 -12.343 22.327 1.00 0.00 H new ATOM 477 N VAL A 31 86.343 -11.673 25.906 1.00 0.00 N ATOM 478 CA VAL A 31 87.410 -11.611 26.944 1.00 0.00 C ATOM 479 C VAL A 31 87.559 -10.175 27.436 1.00 0.00 C ATOM 480 O VAL A 31 87.437 -9.896 28.612 1.00 0.00 O ATOM 481 CB VAL A 31 88.742 -12.085 26.339 1.00 0.00 C ATOM 482 CG1 VAL A 31 89.863 -12.075 27.395 1.00 0.00 C ATOM 483 CG2 VAL A 31 88.572 -13.503 25.793 1.00 0.00 C ATOM 0 H VAL A 31 86.633 -12.040 25.000 1.00 0.00 H new ATOM 0 HA VAL A 31 87.140 -12.256 27.780 1.00 0.00 H new ATOM 0 HB VAL A 31 89.020 -11.403 25.535 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.794 -12.415 26.941 1.00 0.00 H new ATOM 0 HG12 VAL A 31 89.994 -11.063 27.777 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.596 -12.741 28.216 1.00 0.00 H new ATOM 0 HG21 VAL A 31 89.514 -13.843 25.363 1.00 0.00 H new ATOM 0 HG22 VAL A 31 88.280 -14.172 26.603 1.00 0.00 H new ATOM 0 HG23 VAL A 31 87.800 -13.506 25.024 1.00 0.00 H new ATOM 493 N VAL A 32 87.833 -9.267 26.550 1.00 0.00 N ATOM 494 CA VAL A 32 88.007 -7.853 26.971 1.00 0.00 C ATOM 495 C VAL A 32 86.702 -7.341 27.565 1.00 0.00 C ATOM 496 O VAL A 32 86.677 -6.752 28.627 1.00 0.00 O ATOM 497 CB VAL A 32 88.387 -7.017 25.752 1.00 0.00 C ATOM 498 CG1 VAL A 32 88.398 -5.534 26.124 1.00 0.00 C ATOM 499 CG2 VAL A 32 89.776 -7.440 25.271 1.00 0.00 C ATOM 0 H VAL A 32 87.944 -9.441 25.551 1.00 0.00 H new ATOM 0 HA VAL A 32 88.794 -7.779 27.722 1.00 0.00 H new ATOM 0 HB VAL A 32 87.659 -7.176 24.957 1.00 0.00 H new ATOM 0 HG11 VAL A 32 88.670 -4.942 25.250 1.00 0.00 H new ATOM 0 HG12 VAL A 32 87.407 -5.238 26.469 1.00 0.00 H new ATOM 0 HG13 VAL A 32 89.125 -5.364 26.918 1.00 0.00 H new ATOM 0 HG21 VAL A 32 90.055 -6.847 24.400 1.00 0.00 H new ATOM 0 HG22 VAL A 32 90.502 -7.278 26.068 1.00 0.00 H new ATOM 0 HG23 VAL A 32 89.762 -8.496 25.002 1.00 0.00 H new ATOM 509 N ALA A 33 85.613 -7.560 26.885 1.00 0.00 N ATOM 510 CA ALA A 33 84.305 -7.089 27.411 1.00 0.00 C ATOM 511 C ALA A 33 84.022 -7.743 28.762 1.00 0.00 C ATOM 512 O ALA A 33 83.681 -7.073 29.717 1.00 0.00 O ATOM 513 CB ALA A 33 83.195 -7.451 26.429 1.00 0.00 C ATOM 0 H ALA A 33 85.573 -8.045 25.988 1.00 0.00 H new ATOM 0 HA ALA A 33 84.341 -6.007 27.536 1.00 0.00 H new ATOM 0 HB1 ALA A 33 82.238 -7.104 26.818 1.00 0.00 H new ATOM 0 HB2 ALA A 33 83.390 -6.975 25.468 1.00 0.00 H new ATOM 0 HB3 ALA A 33 83.163 -8.533 26.298 1.00 0.00 H new ATOM 519 N LYS A 34 84.155 -9.042 28.864 1.00 0.00 N ATOM 520 CA LYS A 34 83.887 -9.699 30.172 1.00 0.00 C ATOM 521 C LYS A 34 84.872 -9.180 31.219 1.00 0.00 C ATOM 522 O LYS A 34 84.516 -8.955 32.360 1.00 0.00 O ATOM 523 CB LYS A 34 83.985 -11.222 30.042 1.00 0.00 C ATOM 524 CG LYS A 34 82.797 -11.739 29.218 1.00 0.00 C ATOM 525 CD LYS A 34 82.884 -13.261 29.078 1.00 0.00 C ATOM 526 CE LYS A 34 81.694 -13.784 28.261 1.00 0.00 C ATOM 527 NZ LYS A 34 80.503 -13.916 29.150 1.00 0.00 N ATOM 0 H LYS A 34 84.434 -9.666 28.107 1.00 0.00 H new ATOM 0 HA LYS A 34 82.873 -9.456 30.490 1.00 0.00 H new ATOM 0 HB2 LYS A 34 84.923 -11.498 29.561 1.00 0.00 H new ATOM 0 HB3 LYS A 34 83.986 -11.683 31.030 1.00 0.00 H new ATOM 0 HG2 LYS A 34 81.860 -11.462 29.701 1.00 0.00 H new ATOM 0 HG3 LYS A 34 82.797 -11.274 28.232 1.00 0.00 H new ATOM 0 HD2 LYS A 34 83.819 -13.536 28.590 1.00 0.00 H new ATOM 0 HD3 LYS A 34 82.890 -13.725 30.064 1.00 0.00 H new ATOM 0 HE2 LYS A 34 81.475 -13.102 27.440 1.00 0.00 H new ATOM 0 HE3 LYS A 34 81.939 -14.749 27.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 79.696 -14.270 28.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 80.716 -14.583 29.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 80.266 -12.987 29.553 1.00 0.00 H new ATOM 541 N GLU A 35 86.115 -9.002 30.854 1.00 0.00 N ATOM 542 CA GLU A 35 87.111 -8.508 31.842 1.00 0.00 C ATOM 543 C GLU A 35 86.696 -7.127 32.367 1.00 0.00 C ATOM 544 O GLU A 35 86.808 -6.849 33.545 1.00 0.00 O ATOM 545 CB GLU A 35 88.480 -8.408 31.166 1.00 0.00 C ATOM 546 CG GLU A 35 89.585 -8.325 32.229 1.00 0.00 C ATOM 547 CD GLU A 35 89.501 -6.982 32.961 1.00 0.00 C ATOM 548 OE1 GLU A 35 89.435 -5.967 32.287 1.00 0.00 O ATOM 549 OE2 GLU A 35 89.506 -6.992 34.180 1.00 0.00 O ATOM 0 H GLU A 35 86.480 -9.177 29.918 1.00 0.00 H new ATOM 0 HA GLU A 35 87.161 -9.203 32.680 1.00 0.00 H new ATOM 0 HB2 GLU A 35 88.643 -9.275 30.527 1.00 0.00 H new ATOM 0 HB3 GLU A 35 88.514 -7.528 30.524 1.00 0.00 H new ATOM 0 HG2 GLU A 35 89.480 -9.144 32.940 1.00 0.00 H new ATOM 0 HG3 GLU A 35 90.563 -8.433 31.760 1.00 0.00 H new ATOM 556 N ILE A 36 86.209 -6.256 31.515 1.00 0.00 N ATOM 557 CA ILE A 36 85.791 -4.908 31.998 1.00 0.00 C ATOM 558 C ILE A 36 84.629 -5.076 32.977 1.00 0.00 C ATOM 559 O ILE A 36 84.555 -4.422 34.001 1.00 0.00 O ATOM 560 CB ILE A 36 85.342 -4.048 30.808 1.00 0.00 C ATOM 561 CG1 ILE A 36 86.556 -3.702 29.942 1.00 0.00 C ATOM 562 CG2 ILE A 36 84.702 -2.752 31.322 1.00 0.00 C ATOM 563 CD1 ILE A 36 86.082 -3.189 28.577 1.00 0.00 C ATOM 0 H ILE A 36 86.085 -6.421 30.516 1.00 0.00 H new ATOM 0 HA ILE A 36 86.628 -4.417 32.495 1.00 0.00 H new ATOM 0 HB ILE A 36 84.615 -4.604 30.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 87.164 -2.944 30.436 1.00 0.00 H new ATOM 0 HG13 ILE A 36 87.186 -4.582 29.813 1.00 0.00 H new ATOM 0 HG21 ILE A 36 84.384 -2.143 30.476 1.00 0.00 H new ATOM 0 HG22 ILE A 36 83.838 -2.993 31.941 1.00 0.00 H new ATOM 0 HG23 ILE A 36 85.429 -2.198 31.915 1.00 0.00 H new ATOM 0 HD11 ILE A 36 86.947 -2.943 27.961 1.00 0.00 H new ATOM 0 HD12 ILE A 36 85.492 -3.961 28.083 1.00 0.00 H new ATOM 0 HD13 ILE A 36 85.470 -2.298 28.716 1.00 0.00 H new ATOM 575 N VAL A 37 83.729 -5.962 32.664 1.00 0.00 N ATOM 576 CA VAL A 37 82.564 -6.202 33.555 1.00 0.00 C ATOM 577 C VAL A 37 83.059 -6.842 34.859 1.00 0.00 C ATOM 578 O VAL A 37 82.588 -6.531 35.935 1.00 0.00 O ATOM 579 CB VAL A 37 81.581 -7.145 32.842 1.00 0.00 C ATOM 580 CG1 VAL A 37 80.333 -7.367 33.711 1.00 0.00 C ATOM 581 CG2 VAL A 37 81.160 -6.533 31.492 1.00 0.00 C ATOM 0 H VAL A 37 83.751 -6.536 31.821 1.00 0.00 H new ATOM 0 HA VAL A 37 82.060 -5.264 33.786 1.00 0.00 H new ATOM 0 HB VAL A 37 82.074 -8.102 32.673 1.00 0.00 H new ATOM 0 HG11 VAL A 37 79.645 -8.036 33.195 1.00 0.00 H new ATOM 0 HG12 VAL A 37 80.626 -7.811 34.662 1.00 0.00 H new ATOM 0 HG13 VAL A 37 79.842 -6.411 33.893 1.00 0.00 H new ATOM 0 HG21 VAL A 37 80.463 -7.204 30.990 1.00 0.00 H new ATOM 0 HG22 VAL A 37 80.677 -5.571 31.663 1.00 0.00 H new ATOM 0 HG23 VAL A 37 82.041 -6.390 30.867 1.00 0.00 H new ATOM 591 N ALA A 38 84.006 -7.735 34.764 1.00 0.00 N ATOM 592 CA ALA A 38 84.528 -8.411 35.987 1.00 0.00 C ATOM 593 C ALA A 38 85.286 -7.404 36.857 1.00 0.00 C ATOM 594 O ALA A 38 85.331 -7.530 38.065 1.00 0.00 O ATOM 595 CB ALA A 38 85.476 -9.541 35.583 1.00 0.00 C ATOM 0 H ALA A 38 84.442 -8.027 33.889 1.00 0.00 H new ATOM 0 HA ALA A 38 83.690 -8.818 36.552 1.00 0.00 H new ATOM 0 HB1 ALA A 38 85.857 -10.034 36.478 1.00 0.00 H new ATOM 0 HB2 ALA A 38 84.939 -10.265 34.970 1.00 0.00 H new ATOM 0 HB3 ALA A 38 86.309 -9.130 35.013 1.00 0.00 H new ATOM 601 N SER A 39 85.887 -6.413 36.260 1.00 0.00 N ATOM 602 CA SER A 39 86.644 -5.415 37.065 1.00 0.00 C ATOM 603 C SER A 39 85.660 -4.542 37.841 1.00 0.00 C ATOM 604 O SER A 39 85.937 -4.107 38.941 1.00 0.00 O ATOM 605 CB SER A 39 87.478 -4.531 36.134 1.00 0.00 C ATOM 606 OG SER A 39 88.518 -5.306 35.555 1.00 0.00 O ATOM 0 H SER A 39 85.887 -6.251 35.253 1.00 0.00 H new ATOM 0 HA SER A 39 87.304 -5.934 37.760 1.00 0.00 H new ATOM 0 HB2 SER A 39 86.846 -4.109 35.353 1.00 0.00 H new ATOM 0 HB3 SER A 39 87.900 -3.694 36.690 1.00 0.00 H new ATOM 0 HG SER A 39 88.137 -5.926 34.899 1.00 0.00 H new ATOM 612 N CYS A 40 84.511 -4.289 37.285 1.00 0.00 N ATOM 613 CA CYS A 40 83.509 -3.452 38.001 1.00 0.00 C ATOM 614 C CYS A 40 82.887 -4.289 39.130 1.00 0.00 C ATOM 615 O CYS A 40 82.230 -5.282 38.893 1.00 0.00 O ATOM 616 CB CYS A 40 82.435 -3.004 37.010 1.00 0.00 C ATOM 617 SG CYS A 40 81.181 -2.023 37.866 1.00 0.00 S ATOM 0 H CYS A 40 84.221 -4.625 36.366 1.00 0.00 H new ATOM 0 HA CYS A 40 83.981 -2.568 38.430 1.00 0.00 H new ATOM 0 HB2 CYS A 40 82.887 -2.416 36.211 1.00 0.00 H new ATOM 0 HB3 CYS A 40 81.973 -3.874 36.543 1.00 0.00 H new ATOM 0 HG CYS A 40 80.486 -1.352 36.996 1.00 0.00 H new ATOM 622 N ASP A 41 83.119 -3.906 40.359 1.00 0.00 N ATOM 623 CA ASP A 41 82.577 -4.683 41.515 1.00 0.00 C ATOM 624 C ASP A 41 81.045 -4.727 41.482 1.00 0.00 C ATOM 625 O ASP A 41 80.439 -5.736 41.782 1.00 0.00 O ATOM 626 CB ASP A 41 83.025 -4.015 42.817 1.00 0.00 C ATOM 627 CG ASP A 41 84.527 -4.230 43.018 1.00 0.00 C ATOM 628 OD1 ASP A 41 85.101 -5.004 42.271 1.00 0.00 O ATOM 629 OD2 ASP A 41 85.077 -3.612 43.917 1.00 0.00 O ATOM 0 H ASP A 41 83.664 -3.083 40.614 1.00 0.00 H new ATOM 0 HA ASP A 41 82.955 -5.703 41.454 1.00 0.00 H new ATOM 0 HB2 ASP A 41 82.802 -2.949 42.785 1.00 0.00 H new ATOM 0 HB3 ASP A 41 82.472 -4.431 43.659 1.00 0.00 H new ATOM 634 N LYS A 42 80.420 -3.642 41.140 1.00 0.00 N ATOM 635 CA LYS A 42 78.930 -3.617 41.106 1.00 0.00 C ATOM 636 C LYS A 42 78.414 -4.655 40.104 1.00 0.00 C ATOM 637 O LYS A 42 77.425 -5.321 40.339 1.00 0.00 O ATOM 638 CB LYS A 42 78.449 -2.223 40.692 1.00 0.00 C ATOM 639 CG LYS A 42 78.937 -1.160 41.697 1.00 0.00 C ATOM 640 CD LYS A 42 78.089 -1.150 42.987 1.00 0.00 C ATOM 641 CE LYS A 42 76.614 -0.842 42.677 1.00 0.00 C ATOM 642 NZ LYS A 42 76.523 0.027 41.469 1.00 0.00 N ATOM 0 H LYS A 42 80.874 -2.766 40.881 1.00 0.00 H new ATOM 0 HA LYS A 42 78.546 -3.855 42.098 1.00 0.00 H new ATOM 0 HB2 LYS A 42 78.820 -1.986 39.695 1.00 0.00 H new ATOM 0 HB3 LYS A 42 77.360 -2.209 40.639 1.00 0.00 H new ATOM 0 HG2 LYS A 42 79.980 -1.352 41.950 1.00 0.00 H new ATOM 0 HG3 LYS A 42 78.899 -0.176 41.230 1.00 0.00 H new ATOM 0 HD2 LYS A 42 78.165 -2.117 43.484 1.00 0.00 H new ATOM 0 HD3 LYS A 42 78.482 -0.405 43.679 1.00 0.00 H new ATOM 0 HE2 LYS A 42 76.066 -1.770 42.511 1.00 0.00 H new ATOM 0 HE3 LYS A 42 76.150 -0.346 43.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 75.581 0.465 41.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 77.249 0.770 41.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 76.676 -0.548 40.616 1.00 0.00 H new ATOM 656 N CYS A 43 79.069 -4.788 38.984 1.00 0.00 N ATOM 657 CA CYS A 43 78.609 -5.773 37.965 1.00 0.00 C ATOM 658 C CYS A 43 78.901 -7.201 38.439 1.00 0.00 C ATOM 659 O CYS A 43 78.200 -8.132 38.098 1.00 0.00 O ATOM 660 CB CYS A 43 79.367 -5.552 36.655 1.00 0.00 C ATOM 661 SG CYS A 43 78.945 -3.941 35.962 1.00 0.00 S ATOM 0 H CYS A 43 79.902 -4.258 38.730 1.00 0.00 H new ATOM 0 HA CYS A 43 77.538 -5.637 37.818 1.00 0.00 H new ATOM 0 HB2 CYS A 43 80.441 -5.611 36.832 1.00 0.00 H new ATOM 0 HB3 CYS A 43 79.118 -6.340 35.944 1.00 0.00 H new ATOM 0 HG CYS A 43 79.767 -3.043 36.419 1.00 0.00 H new ATOM 666 N GLN A 44 79.952 -7.382 39.194 1.00 0.00 N ATOM 667 CA GLN A 44 80.314 -8.753 39.655 1.00 0.00 C ATOM 668 C GLN A 44 79.440 -9.167 40.840 1.00 0.00 C ATOM 669 O GLN A 44 78.582 -10.018 40.717 1.00 0.00 O ATOM 670 CB GLN A 44 81.782 -8.752 40.077 1.00 0.00 C ATOM 671 CG GLN A 44 82.290 -10.184 40.221 1.00 0.00 C ATOM 672 CD GLN A 44 83.765 -10.150 40.622 1.00 0.00 C ATOM 673 OE1 GLN A 44 84.616 -9.518 39.860 1.00 0.00 O ATOM 674 NE2 GLN A 44 84.146 -10.695 41.638 1.00 0.00 N ATOM 0 H GLN A 44 80.575 -6.639 39.511 1.00 0.00 H new ATOM 0 HA GLN A 44 80.153 -9.463 38.844 1.00 0.00 H new ATOM 0 HB2 GLN A 44 82.380 -8.219 39.338 1.00 0.00 H new ATOM 0 HB3 GLN A 44 81.896 -8.221 41.022 1.00 0.00 H new ATOM 0 HG2 GLN A 44 81.707 -10.716 40.973 1.00 0.00 H new ATOM 0 HG3 GLN A 44 82.167 -10.723 39.282 1.00 0.00 H new ATOM 0 HE21 GLN A 44 83.480 -11.188 42.233 1.00 0.00 H new ATOM 0 HE22 GLN A 44 85.132 -10.659 41.897 1.00 0.00 H new ATOM 844 N PHE B 1 94.525 -14.052 22.141 1.00 0.00 N ATOM 845 CA PHE B 1 93.281 -13.905 22.947 1.00 0.00 C ATOM 846 C PHE B 1 92.731 -15.294 23.302 1.00 0.00 C ATOM 847 O PHE B 1 93.111 -15.892 24.288 1.00 0.00 O ATOM 848 CB PHE B 1 92.228 -13.138 22.134 1.00 0.00 C ATOM 849 CG PHE B 1 92.542 -11.656 22.137 1.00 0.00 C ATOM 850 CD1 PHE B 1 93.391 -11.117 21.162 1.00 0.00 C ATOM 851 CD2 PHE B 1 91.971 -10.819 23.108 1.00 0.00 C ATOM 852 CE1 PHE B 1 93.668 -9.744 21.157 1.00 0.00 C ATOM 853 CE2 PHE B 1 92.253 -9.447 23.103 1.00 0.00 C ATOM 854 CZ PHE B 1 93.101 -8.910 22.128 1.00 0.00 C ATOM 0 H1 PHE B 1 94.646 -13.217 21.533 1.00 0.00 H new ATOM 0 H2 PHE B 1 95.343 -14.138 22.778 1.00 0.00 H new ATOM 0 H3 PHE B 1 94.456 -14.904 21.549 1.00 0.00 H new ATOM 0 HA PHE B 1 93.508 -13.356 23.861 1.00 0.00 H new ATOM 0 HB2 PHE B 1 92.207 -13.510 21.110 1.00 0.00 H new ATOM 0 HB3 PHE B 1 91.237 -13.308 22.556 1.00 0.00 H new ATOM 0 HD1 PHE B 1 93.832 -11.760 20.414 1.00 0.00 H new ATOM 0 HD2 PHE B 1 91.314 -11.233 23.859 1.00 0.00 H new ATOM 0 HE1 PHE B 1 94.320 -9.328 20.403 1.00 0.00 H new ATOM 0 HE2 PHE B 1 91.816 -8.803 23.852 1.00 0.00 H new ATOM 0 HZ PHE B 1 93.318 -7.852 22.125 1.00 0.00 H new ATOM 866 N LEU B 2 91.824 -15.791 22.506 1.00 0.00 N ATOM 867 CA LEU B 2 91.207 -17.126 22.777 1.00 0.00 C ATOM 868 C LEU B 2 92.267 -18.239 22.784 1.00 0.00 C ATOM 869 O LEU B 2 92.240 -19.123 23.620 1.00 0.00 O ATOM 870 CB LEU B 2 90.187 -17.418 21.675 1.00 0.00 C ATOM 871 CG LEU B 2 89.100 -16.327 21.657 1.00 0.00 C ATOM 872 CD1 LEU B 2 88.167 -16.563 20.463 1.00 0.00 C ATOM 873 CD2 LEU B 2 88.281 -16.364 22.959 1.00 0.00 C ATOM 0 H LEU B 2 91.478 -15.324 21.668 1.00 0.00 H new ATOM 0 HA LEU B 2 90.731 -17.102 23.757 1.00 0.00 H new ATOM 0 HB2 LEU B 2 90.687 -17.460 20.708 1.00 0.00 H new ATOM 0 HB3 LEU B 2 89.731 -18.394 21.840 1.00 0.00 H new ATOM 0 HG LEU B 2 89.579 -15.352 21.570 1.00 0.00 H new ATOM 0 HD11 LEU B 2 87.396 -15.793 20.446 1.00 0.00 H new ATOM 0 HD12 LEU B 2 88.742 -16.521 19.538 1.00 0.00 H new ATOM 0 HD13 LEU B 2 87.699 -17.543 20.555 1.00 0.00 H new ATOM 0 HD21 LEU B 2 87.517 -15.587 22.931 1.00 0.00 H new ATOM 0 HD22 LEU B 2 87.804 -17.339 23.061 1.00 0.00 H new ATOM 0 HD23 LEU B 2 88.941 -16.193 23.809 1.00 0.00 H new ATOM 885 N ASP B 3 93.183 -18.219 21.857 1.00 0.00 N ATOM 886 CA ASP B 3 94.220 -19.299 21.802 1.00 0.00 C ATOM 887 C ASP B 3 95.053 -19.328 23.084 1.00 0.00 C ATOM 888 O ASP B 3 95.238 -20.364 23.688 1.00 0.00 O ATOM 889 CB ASP B 3 95.142 -19.050 20.606 1.00 0.00 C ATOM 890 CG ASP B 3 96.210 -20.145 20.541 1.00 0.00 C ATOM 891 OD1 ASP B 3 95.913 -21.205 20.012 1.00 0.00 O ATOM 892 OD2 ASP B 3 97.305 -19.904 21.018 1.00 0.00 O ATOM 0 H ASP B 3 93.263 -17.504 21.134 1.00 0.00 H new ATOM 0 HA ASP B 3 93.715 -20.259 21.698 1.00 0.00 H new ATOM 0 HB2 ASP B 3 94.562 -19.039 19.683 1.00 0.00 H new ATOM 0 HB3 ASP B 3 95.615 -18.072 20.697 1.00 0.00 H new ATOM 897 N GLY B 4 95.559 -18.208 23.507 1.00 0.00 N ATOM 898 CA GLY B 4 96.383 -18.188 24.749 1.00 0.00 C ATOM 899 C GLY B 4 95.504 -18.569 25.937 1.00 0.00 C ATOM 900 O GLY B 4 95.936 -19.223 26.865 1.00 0.00 O ATOM 0 H GLY B 4 95.440 -17.304 23.049 1.00 0.00 H new ATOM 0 HA2 GLY B 4 97.216 -18.885 24.659 1.00 0.00 H new ATOM 0 HA3 GLY B 4 96.811 -17.197 24.900 1.00 0.00 H new ATOM 904 N ILE B 5 94.274 -18.151 25.912 1.00 0.00 N ATOM 905 CA ILE B 5 93.346 -18.469 27.029 1.00 0.00 C ATOM 906 C ILE B 5 93.060 -19.969 27.071 1.00 0.00 C ATOM 907 O ILE B 5 93.007 -20.565 28.124 1.00 0.00 O ATOM 908 CB ILE B 5 92.040 -17.700 26.814 1.00 0.00 C ATOM 909 CG1 ILE B 5 92.280 -16.216 27.108 1.00 0.00 C ATOM 910 CG2 ILE B 5 90.938 -18.240 27.736 1.00 0.00 C ATOM 911 CD1 ILE B 5 91.103 -15.391 26.588 1.00 0.00 C ATOM 0 H ILE B 5 93.867 -17.597 25.159 1.00 0.00 H new ATOM 0 HA ILE B 5 93.802 -18.178 27.975 1.00 0.00 H new ATOM 0 HB ILE B 5 91.717 -17.827 25.781 1.00 0.00 H new ATOM 0 HG12 ILE B 5 92.399 -16.062 28.181 1.00 0.00 H new ATOM 0 HG13 ILE B 5 93.205 -15.886 26.635 1.00 0.00 H new ATOM 0 HG21 ILE B 5 90.017 -17.681 27.569 1.00 0.00 H new ATOM 0 HG22 ILE B 5 90.767 -19.294 27.519 1.00 0.00 H new ATOM 0 HG23 ILE B 5 91.246 -18.129 28.776 1.00 0.00 H new ATOM 0 HD11 ILE B 5 91.277 -14.336 26.799 1.00 0.00 H new ATOM 0 HD12 ILE B 5 91.005 -15.535 25.512 1.00 0.00 H new ATOM 0 HD13 ILE B 5 90.186 -15.713 27.082 1.00 0.00 H new ATOM 923 N ASP B 6 92.855 -20.580 25.943 1.00 0.00 N ATOM 924 CA ASP B 6 92.557 -22.036 25.950 1.00 0.00 C ATOM 925 C ASP B 6 93.725 -22.794 26.565 1.00 0.00 C ATOM 926 O ASP B 6 93.557 -23.618 27.444 1.00 0.00 O ATOM 927 CB ASP B 6 92.347 -22.522 24.521 1.00 0.00 C ATOM 928 CG ASP B 6 91.848 -23.970 24.547 1.00 0.00 C ATOM 929 OD1 ASP B 6 91.999 -24.609 25.574 1.00 0.00 O ATOM 930 OD2 ASP B 6 91.319 -24.411 23.539 1.00 0.00 O ATOM 0 H ASP B 6 92.880 -20.140 25.023 1.00 0.00 H new ATOM 0 HA ASP B 6 91.655 -22.213 26.535 1.00 0.00 H new ATOM 0 HB2 ASP B 6 91.624 -21.885 24.011 1.00 0.00 H new ATOM 0 HB3 ASP B 6 93.280 -22.457 23.962 1.00 0.00 H new ATOM 935 N LYS B 7 94.914 -22.530 26.109 1.00 0.00 N ATOM 936 CA LYS B 7 96.083 -23.245 26.671 1.00 0.00 C ATOM 937 C LYS B 7 96.298 -22.783 28.115 1.00 0.00 C ATOM 938 O LYS B 7 96.593 -23.568 28.992 1.00 0.00 O ATOM 939 CB LYS B 7 97.319 -22.934 25.825 1.00 0.00 C ATOM 940 CG LYS B 7 98.439 -23.894 26.207 1.00 0.00 C ATOM 941 CD LYS B 7 99.675 -23.604 25.354 1.00 0.00 C ATOM 942 CE LYS B 7 100.776 -24.610 25.689 1.00 0.00 C ATOM 943 NZ LYS B 7 101.938 -24.393 24.783 1.00 0.00 N ATOM 0 H LYS B 7 95.124 -21.853 25.375 1.00 0.00 H new ATOM 0 HA LYS B 7 95.910 -24.321 26.660 1.00 0.00 H new ATOM 0 HB2 LYS B 7 97.084 -23.033 24.765 1.00 0.00 H new ATOM 0 HB3 LYS B 7 97.636 -21.904 25.986 1.00 0.00 H new ATOM 0 HG2 LYS B 7 98.680 -23.785 27.264 1.00 0.00 H new ATOM 0 HG3 LYS B 7 98.115 -24.924 26.058 1.00 0.00 H new ATOM 0 HD2 LYS B 7 99.422 -23.666 24.296 1.00 0.00 H new ATOM 0 HD3 LYS B 7 100.027 -22.589 25.539 1.00 0.00 H new ATOM 0 HE2 LYS B 7 101.085 -24.495 26.728 1.00 0.00 H new ATOM 0 HE3 LYS B 7 100.400 -25.627 25.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 102.688 -25.077 25.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 101.638 -24.523 23.796 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 102.301 -23.427 24.909 1.00 0.00 H new ATOM 957 N ALA B 8 96.130 -21.512 28.364 1.00 0.00 N ATOM 958 CA ALA B 8 96.304 -20.988 29.749 1.00 0.00 C ATOM 959 C ALA B 8 95.162 -21.481 30.644 1.00 0.00 C ATOM 960 O ALA B 8 95.365 -21.814 31.794 1.00 0.00 O ATOM 961 CB ALA B 8 96.298 -19.459 29.724 1.00 0.00 C ATOM 0 H ALA B 8 95.879 -20.812 27.666 1.00 0.00 H new ATOM 0 HA ALA B 8 97.254 -21.346 30.145 1.00 0.00 H new ATOM 0 HB1 ALA B 8 96.425 -19.078 30.737 1.00 0.00 H new ATOM 0 HB2 ALA B 8 97.115 -19.102 29.097 1.00 0.00 H new ATOM 0 HB3 ALA B 8 95.349 -19.105 29.320 1.00 0.00 H new ATOM 967 N GLN B 9 93.956 -21.516 30.131 1.00 0.00 N ATOM 968 CA GLN B 9 92.805 -21.971 30.964 1.00 0.00 C ATOM 969 C GLN B 9 93.039 -23.415 31.405 1.00 0.00 C ATOM 970 O GLN B 9 93.351 -24.279 30.609 1.00 0.00 O ATOM 971 CB GLN B 9 91.512 -21.889 30.146 1.00 0.00 C ATOM 972 CG GLN B 9 90.325 -22.301 31.022 1.00 0.00 C ATOM 973 CD GLN B 9 89.030 -22.182 30.219 1.00 0.00 C ATOM 974 OE1 GLN B 9 88.413 -21.135 30.192 1.00 0.00 O ATOM 975 NE2 GLN B 9 88.578 -23.220 29.569 1.00 0.00 N ATOM 0 H GLN B 9 93.722 -21.250 29.175 1.00 0.00 H new ATOM 0 HA GLN B 9 92.717 -21.330 31.841 1.00 0.00 H new ATOM 0 HB2 GLN B 9 91.368 -20.874 29.774 1.00 0.00 H new ATOM 0 HB3 GLN B 9 91.578 -22.541 29.275 1.00 0.00 H new ATOM 0 HG2 GLN B 9 90.456 -23.325 31.371 1.00 0.00 H new ATOM 0 HG3 GLN B 9 90.276 -21.667 31.907 1.00 0.00 H new ATOM 0 HE21 GLN B 9 89.094 -24.100 29.590 1.00 0.00 H new ATOM 0 HE22 GLN B 9 87.709 -23.151 29.040 1.00 0.00 H new ATOM 984 N GLU B 10 92.896 -23.683 32.675 1.00 0.00 N ATOM 985 CA GLU B 10 93.119 -25.066 33.186 1.00 0.00 C ATOM 986 C GLU B 10 92.256 -25.297 34.429 1.00 0.00 C ATOM 987 O GLU B 10 91.369 -24.526 34.732 1.00 0.00 O ATOM 988 CB GLU B 10 94.592 -25.241 33.558 1.00 0.00 C ATOM 989 CG GLU B 10 95.438 -25.360 32.286 1.00 0.00 C ATOM 990 CD GLU B 10 96.888 -25.651 32.670 1.00 0.00 C ATOM 991 OE1 GLU B 10 97.541 -24.751 33.173 1.00 0.00 O ATOM 992 OE2 GLU B 10 97.324 -26.767 32.447 1.00 0.00 O ATOM 0 H GLU B 10 92.633 -22.999 33.384 1.00 0.00 H new ATOM 0 HA GLU B 10 92.848 -25.785 32.413 1.00 0.00 H new ATOM 0 HB2 GLU B 10 94.930 -24.392 34.152 1.00 0.00 H new ATOM 0 HB3 GLU B 10 94.718 -26.131 34.174 1.00 0.00 H new ATOM 0 HG2 GLU B 10 95.051 -26.157 31.651 1.00 0.00 H new ATOM 0 HG3 GLU B 10 95.381 -24.437 31.709 1.00 0.00 H new ATOM 999 N GLU B 11 92.516 -26.353 35.152 1.00 0.00 N ATOM 1000 CA GLU B 11 91.719 -26.627 36.380 1.00 0.00 C ATOM 1001 C GLU B 11 92.082 -25.587 37.438 1.00 0.00 C ATOM 1002 O GLU B 11 93.134 -24.980 37.387 1.00 0.00 O ATOM 1003 CB GLU B 11 92.034 -28.032 36.904 1.00 0.00 C ATOM 1004 CG GLU B 11 91.486 -29.081 35.931 1.00 0.00 C ATOM 1005 CD GLU B 11 92.376 -29.143 34.685 1.00 0.00 C ATOM 1006 OE1 GLU B 11 93.444 -28.552 34.714 1.00 0.00 O ATOM 1007 OE2 GLU B 11 91.969 -29.769 33.719 1.00 0.00 O ATOM 0 H GLU B 11 93.245 -27.036 34.945 1.00 0.00 H new ATOM 0 HA GLU B 11 90.655 -26.570 36.151 1.00 0.00 H new ATOM 0 HB2 GLU B 11 93.111 -28.155 37.018 1.00 0.00 H new ATOM 0 HB3 GLU B 11 91.591 -28.170 37.890 1.00 0.00 H new ATOM 0 HG2 GLU B 11 91.452 -30.057 36.415 1.00 0.00 H new ATOM 0 HG3 GLU B 11 90.464 -28.830 35.648 1.00 0.00 H new ATOM 1014 N HIS B 12 91.216 -25.361 38.388 1.00 0.00 N ATOM 1015 CA HIS B 12 91.504 -24.344 39.436 1.00 0.00 C ATOM 1016 C HIS B 12 92.714 -24.777 40.260 1.00 0.00 C ATOM 1017 O HIS B 12 92.604 -25.127 41.420 1.00 0.00 O ATOM 1018 CB HIS B 12 90.284 -24.202 40.345 1.00 0.00 C ATOM 1019 CG HIS B 12 90.597 -23.267 41.480 1.00 0.00 C ATOM 1020 ND1 HIS B 12 90.463 -21.891 41.367 1.00 0.00 N ATOM 1021 CD2 HIS B 12 91.006 -23.501 42.770 1.00 0.00 C ATOM 1022 CE1 HIS B 12 90.778 -21.353 42.564 1.00 0.00 C ATOM 1023 NE2 HIS B 12 91.117 -22.292 43.447 1.00 0.00 N ATOM 0 H HIS B 12 90.320 -25.839 38.483 1.00 0.00 H new ATOM 0 HA HIS B 12 91.722 -23.386 38.964 1.00 0.00 H new ATOM 0 HB2 HIS B 12 89.436 -23.823 39.774 1.00 0.00 H new ATOM 0 HB3 HIS B 12 89.995 -25.178 40.735 1.00 0.00 H new ATOM 0 HD1 HIS B 12 90.178 -21.379 40.532 1.00 0.00 H new ATOM 0 HD2 HIS B 12 91.210 -24.474 43.193 1.00 0.00 H new ATOM 0 HE1 HIS B 12 90.758 -20.295 42.779 1.00 0.00 H new ATOM 1031 N GLU B 13 93.875 -24.748 39.669 1.00 0.00 N ATOM 1032 CA GLU B 13 95.106 -25.146 40.401 1.00 0.00 C ATOM 1033 C GLU B 13 95.651 -23.941 41.175 1.00 0.00 C ATOM 1034 O GLU B 13 94.986 -22.938 41.335 1.00 0.00 O ATOM 1035 CB GLU B 13 96.159 -25.624 39.399 1.00 0.00 C ATOM 1036 CG GLU B 13 95.699 -26.935 38.756 1.00 0.00 C ATOM 1037 CD GLU B 13 96.751 -27.407 37.754 1.00 0.00 C ATOM 1038 OE1 GLU B 13 96.880 -26.777 36.718 1.00 0.00 O ATOM 1039 OE2 GLU B 13 97.412 -28.391 38.042 1.00 0.00 O ATOM 0 H GLU B 13 94.024 -24.463 38.701 1.00 0.00 H new ATOM 0 HA GLU B 13 94.872 -25.951 41.098 1.00 0.00 H new ATOM 0 HB2 GLU B 13 96.315 -24.866 38.631 1.00 0.00 H new ATOM 0 HB3 GLU B 13 97.115 -25.770 39.902 1.00 0.00 H new ATOM 0 HG2 GLU B 13 95.545 -27.694 39.523 1.00 0.00 H new ATOM 0 HG3 GLU B 13 94.742 -26.790 38.254 1.00 0.00 H new ATOM 1046 N LYS B 14 96.861 -24.036 41.645 1.00 0.00 N ATOM 1047 CA LYS B 14 97.477 -22.912 42.409 1.00 0.00 C ATOM 1048 C LYS B 14 97.770 -21.748 41.463 1.00 0.00 C ATOM 1049 O LYS B 14 97.831 -20.602 41.863 1.00 0.00 O ATOM 1050 CB LYS B 14 98.778 -23.399 43.042 1.00 0.00 C ATOM 1051 CG LYS B 14 98.444 -24.458 44.094 1.00 0.00 C ATOM 1052 CD LYS B 14 99.729 -24.962 44.743 1.00 0.00 C ATOM 1053 CE LYS B 14 99.386 -26.022 45.791 1.00 0.00 C ATOM 1054 NZ LYS B 14 100.606 -26.357 46.576 1.00 0.00 N ATOM 0 H LYS B 14 97.459 -24.854 41.532 1.00 0.00 H new ATOM 0 HA LYS B 14 96.792 -22.575 43.187 1.00 0.00 H new ATOM 0 HB2 LYS B 14 99.436 -23.817 42.280 1.00 0.00 H new ATOM 0 HB3 LYS B 14 99.311 -22.566 43.500 1.00 0.00 H new ATOM 0 HG2 LYS B 14 97.784 -24.036 44.852 1.00 0.00 H new ATOM 0 HG3 LYS B 14 97.909 -25.288 43.632 1.00 0.00 H new ATOM 0 HD2 LYS B 14 100.391 -25.383 43.986 1.00 0.00 H new ATOM 0 HD3 LYS B 14 100.264 -24.134 45.208 1.00 0.00 H new ATOM 0 HE2 LYS B 14 98.604 -25.653 46.454 1.00 0.00 H new ATOM 0 HE3 LYS B 14 98.996 -26.916 45.305 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 100.373 -27.078 47.289 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 101.339 -26.726 45.937 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 100.959 -25.502 47.051 1.00 0.00 H new ATOM 1068 N TYR B 15 97.953 -22.034 40.208 1.00 0.00 N ATOM 1069 CA TYR B 15 98.249 -20.954 39.229 1.00 0.00 C ATOM 1070 C TYR B 15 97.099 -19.951 39.225 1.00 0.00 C ATOM 1071 O TYR B 15 97.304 -18.762 39.092 1.00 0.00 O ATOM 1072 CB TYR B 15 98.402 -21.567 37.831 1.00 0.00 C ATOM 1073 CG TYR B 15 99.776 -22.177 37.697 1.00 0.00 C ATOM 1074 CD1 TYR B 15 100.862 -21.375 37.330 1.00 0.00 C ATOM 1075 CD2 TYR B 15 99.964 -23.542 37.946 1.00 0.00 C ATOM 1076 CE1 TYR B 15 102.137 -21.938 37.207 1.00 0.00 C ATOM 1077 CE2 TYR B 15 101.238 -24.105 37.822 1.00 0.00 C ATOM 1078 CZ TYR B 15 102.326 -23.304 37.452 1.00 0.00 C ATOM 1079 OH TYR B 15 103.583 -23.860 37.328 1.00 0.00 O ATOM 0 H TYR B 15 97.910 -22.974 39.815 1.00 0.00 H new ATOM 0 HA TYR B 15 99.173 -20.447 39.506 1.00 0.00 H new ATOM 0 HB2 TYR B 15 97.638 -22.327 37.670 1.00 0.00 H new ATOM 0 HB3 TYR B 15 98.256 -20.802 37.069 1.00 0.00 H new ATOM 0 HD1 TYR B 15 100.716 -20.322 37.142 1.00 0.00 H new ATOM 0 HD2 TYR B 15 99.126 -24.159 38.234 1.00 0.00 H new ATOM 0 HE1 TYR B 15 102.975 -21.319 36.923 1.00 0.00 H new ATOM 0 HE2 TYR B 15 101.383 -25.158 38.012 1.00 0.00 H new ATOM 0 HH TYR B 15 103.539 -24.817 37.534 1.00 0.00 H new ATOM 1089 N HIS B 16 95.890 -20.408 39.383 1.00 0.00 N ATOM 1090 CA HIS B 16 94.747 -19.456 39.383 1.00 0.00 C ATOM 1091 C HIS B 16 94.927 -18.463 40.535 1.00 0.00 C ATOM 1092 O HIS B 16 94.667 -17.286 40.388 1.00 0.00 O ATOM 1093 CB HIS B 16 93.432 -20.226 39.588 1.00 0.00 C ATOM 1094 CG HIS B 16 92.979 -20.840 38.290 1.00 0.00 C ATOM 1095 ND1 HIS B 16 91.653 -21.197 38.062 1.00 0.00 N ATOM 1096 CD2 HIS B 16 93.659 -21.162 37.141 1.00 0.00 C ATOM 1097 CE1 HIS B 16 91.580 -21.708 36.817 1.00 0.00 C ATOM 1098 NE2 HIS B 16 92.774 -21.708 36.217 1.00 0.00 N ATOM 0 H HIS B 16 95.645 -21.390 39.511 1.00 0.00 H new ATOM 0 HA HIS B 16 94.714 -18.927 38.431 1.00 0.00 H new ATOM 0 HB2 HIS B 16 93.572 -21.005 40.338 1.00 0.00 H new ATOM 0 HB3 HIS B 16 92.664 -19.553 39.968 1.00 0.00 H new ATOM 0 HD2 HIS B 16 94.717 -21.014 36.980 1.00 0.00 H new ATOM 0 HE1 HIS B 16 90.671 -22.072 36.362 1.00 0.00 H new ATOM 0 HE2 HIS B 16 92.991 -22.039 35.277 1.00 0.00 H new ATOM 1106 N SER B 17 95.369 -18.911 41.676 1.00 0.00 N ATOM 1107 CA SER B 17 95.557 -17.958 42.803 1.00 0.00 C ATOM 1108 C SER B 17 96.628 -16.938 42.412 1.00 0.00 C ATOM 1109 O SER B 17 96.466 -15.749 42.600 1.00 0.00 O ATOM 1110 CB SER B 17 95.994 -18.717 44.056 1.00 0.00 C ATOM 1111 OG SER B 17 97.321 -19.199 43.878 1.00 0.00 O ATOM 0 H SER B 17 95.605 -19.883 41.876 1.00 0.00 H new ATOM 0 HA SER B 17 94.619 -17.445 43.014 1.00 0.00 H new ATOM 0 HB2 SER B 17 95.947 -18.062 44.926 1.00 0.00 H new ATOM 0 HB3 SER B 17 95.316 -19.549 44.246 1.00 0.00 H new ATOM 0 HG SER B 17 97.312 -19.964 43.265 1.00 0.00 H new ATOM 1117 N ASN B 18 97.718 -17.394 41.850 1.00 0.00 N ATOM 1118 CA ASN B 18 98.798 -16.453 41.423 1.00 0.00 C ATOM 1119 C ASN B 18 98.594 -16.101 39.948 1.00 0.00 C ATOM 1120 O ASN B 18 99.157 -16.721 39.070 1.00 0.00 O ATOM 1121 CB ASN B 18 100.157 -17.129 41.609 1.00 0.00 C ATOM 1122 CG ASN B 18 100.443 -17.275 43.105 1.00 0.00 C ATOM 1123 OD1 ASN B 18 99.997 -16.470 43.899 1.00 0.00 O ATOM 1124 ND2 ASN B 18 101.163 -18.278 43.528 1.00 0.00 N ATOM 0 H ASN B 18 97.907 -18.380 41.668 1.00 0.00 H new ATOM 0 HA ASN B 18 98.763 -15.544 42.024 1.00 0.00 H new ATOM 0 HB2 ASN B 18 100.159 -18.107 41.129 1.00 0.00 H new ATOM 0 HB3 ASN B 18 100.939 -16.538 41.133 1.00 0.00 H new ATOM 0 HD21 ASN B 18 101.351 -18.386 44.525 1.00 0.00 H new ATOM 0 HD22 ASN B 18 101.537 -18.954 42.862 1.00 0.00 H new ATOM 1131 N TRP B 19 97.791 -15.111 39.666 1.00 0.00 N ATOM 1132 CA TRP B 19 97.550 -14.733 38.245 1.00 0.00 C ATOM 1133 C TRP B 19 98.805 -14.079 37.663 1.00 0.00 C ATOM 1134 O TRP B 19 99.062 -14.154 36.479 1.00 0.00 O ATOM 1135 CB TRP B 19 96.362 -13.767 38.146 1.00 0.00 C ATOM 1136 CG TRP B 19 96.708 -12.425 38.713 1.00 0.00 C ATOM 1137 CD1 TRP B 19 96.364 -11.990 39.948 1.00 0.00 C ATOM 1138 CD2 TRP B 19 97.450 -11.333 38.090 1.00 0.00 C ATOM 1139 NE1 TRP B 19 96.838 -10.701 40.119 1.00 0.00 N ATOM 1140 CE2 TRP B 19 97.515 -10.254 39.003 1.00 0.00 C ATOM 1141 CE3 TRP B 19 98.063 -11.174 36.832 1.00 0.00 C ATOM 1142 CZ2 TRP B 19 98.165 -9.061 38.681 1.00 0.00 C ATOM 1143 CZ3 TRP B 19 98.718 -9.973 36.509 1.00 0.00 C ATOM 1144 CH2 TRP B 19 98.768 -8.920 37.432 1.00 0.00 C ATOM 0 H TRP B 19 97.293 -14.549 40.356 1.00 0.00 H new ATOM 0 HA TRP B 19 97.317 -15.633 37.675 1.00 0.00 H new ATOM 0 HB2 TRP B 19 96.064 -13.658 37.103 1.00 0.00 H new ATOM 0 HB3 TRP B 19 95.507 -14.181 38.680 1.00 0.00 H new ATOM 0 HD1 TRP B 19 95.809 -12.557 40.681 1.00 0.00 H new ATOM 0 HE1 TRP B 19 96.703 -10.149 40.966 1.00 0.00 H new ATOM 0 HE3 TRP B 19 98.030 -11.979 36.112 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 98.200 -8.252 39.396 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 99.186 -9.861 35.542 1.00 0.00 H new ATOM 0 HH2 TRP B 19 99.273 -8.000 37.176 1.00 0.00 H new ATOM 1155 N ARG B 20 99.586 -13.433 38.485 1.00 0.00 N ATOM 1156 CA ARG B 20 100.812 -12.764 37.969 1.00 0.00 C ATOM 1157 C ARG B 20 101.750 -13.810 37.356 1.00 0.00 C ATOM 1158 O ARG B 20 102.357 -13.582 36.328 1.00 0.00 O ATOM 1159 CB ARG B 20 101.532 -12.075 39.131 1.00 0.00 C ATOM 1160 CG ARG B 20 100.697 -10.894 39.626 1.00 0.00 C ATOM 1161 CD ARG B 20 101.402 -10.231 40.813 1.00 0.00 C ATOM 1162 NE ARG B 20 100.587 -9.092 41.311 1.00 0.00 N ATOM 1163 CZ ARG B 20 100.803 -8.621 42.508 1.00 0.00 C ATOM 1164 NH1 ARG B 20 101.751 -9.135 43.243 1.00 0.00 N ATOM 1165 NH2 ARG B 20 100.078 -7.641 42.970 1.00 0.00 N ATOM 0 H ARG B 20 99.428 -13.340 39.488 1.00 0.00 H new ATOM 0 HA ARG B 20 100.534 -12.032 37.211 1.00 0.00 H new ATOM 0 HB2 ARG B 20 101.694 -12.784 39.943 1.00 0.00 H new ATOM 0 HB3 ARG B 20 102.514 -11.729 38.809 1.00 0.00 H new ATOM 0 HG2 ARG B 20 100.558 -10.171 38.822 1.00 0.00 H new ATOM 0 HG3 ARG B 20 99.705 -11.235 39.923 1.00 0.00 H new ATOM 0 HD2 ARG B 20 101.553 -10.958 41.611 1.00 0.00 H new ATOM 0 HD3 ARG B 20 102.389 -9.880 40.512 1.00 0.00 H new ATOM 0 HE ARG B 20 99.864 -8.681 40.721 1.00 0.00 H new ATOM 0 HH11 ARG B 20 102.319 -9.901 42.881 1.00 0.00 H new ATOM 0 HH12 ARG B 20 101.924 -8.771 44.180 1.00 0.00 H new ATOM 0 HH21 ARG B 20 99.338 -7.239 42.395 1.00 0.00 H new ATOM 0 HH22 ARG B 20 100.251 -7.276 43.907 1.00 0.00 H new ATOM 1179 N ALA B 21 101.871 -14.954 37.970 1.00 0.00 N ATOM 1180 CA ALA B 21 102.772 -16.004 37.409 1.00 0.00 C ATOM 1181 C ALA B 21 102.284 -16.414 36.018 1.00 0.00 C ATOM 1182 O ALA B 21 103.059 -16.540 35.090 1.00 0.00 O ATOM 1183 CB ALA B 21 102.771 -17.229 38.326 1.00 0.00 C ATOM 0 H ALA B 21 101.388 -15.208 38.832 1.00 0.00 H new ATOM 0 HA ALA B 21 103.783 -15.604 37.337 1.00 0.00 H new ATOM 0 HB1 ALA B 21 103.430 -17.993 37.913 1.00 0.00 H new ATOM 0 HB2 ALA B 21 103.124 -16.942 39.317 1.00 0.00 H new ATOM 0 HB3 ALA B 21 101.759 -17.626 38.402 1.00 0.00 H new ATOM 1189 N MET B 22 101.009 -16.633 35.869 1.00 0.00 N ATOM 1190 CA MET B 22 100.468 -17.044 34.542 1.00 0.00 C ATOM 1191 C MET B 22 100.679 -15.922 33.523 1.00 0.00 C ATOM 1192 O MET B 22 101.020 -16.163 32.382 1.00 0.00 O ATOM 1193 CB MET B 22 98.976 -17.338 34.684 1.00 0.00 C ATOM 1194 CG MET B 22 98.444 -17.953 33.388 1.00 0.00 C ATOM 1195 SD MET B 22 96.694 -18.383 33.585 1.00 0.00 S ATOM 1196 CE MET B 22 96.062 -16.710 33.882 1.00 0.00 C ATOM 0 H MET B 22 100.314 -16.545 36.611 1.00 0.00 H new ATOM 0 HA MET B 22 100.989 -17.937 34.195 1.00 0.00 H new ATOM 0 HB2 MET B 22 98.808 -18.021 35.517 1.00 0.00 H new ATOM 0 HB3 MET B 22 98.435 -16.419 34.910 1.00 0.00 H new ATOM 0 HG2 MET B 22 98.564 -17.249 32.565 1.00 0.00 H new ATOM 0 HG3 MET B 22 99.020 -18.843 33.134 1.00 0.00 H new ATOM 0 HE1 MET B 22 94.985 -16.693 33.715 1.00 0.00 H new ATOM 0 HE2 MET B 22 96.274 -16.418 34.910 1.00 0.00 H new ATOM 0 HE3 MET B 22 96.546 -16.012 33.199 1.00 0.00 H new ATOM 1206 N ALA B 23 100.485 -14.698 33.921 1.00 0.00 N ATOM 1207 CA ALA B 23 100.679 -13.570 32.965 1.00 0.00 C ATOM 1208 C ALA B 23 102.151 -13.519 32.533 1.00 0.00 C ATOM 1209 O ALA B 23 102.461 -13.305 31.378 1.00 0.00 O ATOM 1210 CB ALA B 23 100.292 -12.255 33.651 1.00 0.00 C ATOM 0 H ALA B 23 100.202 -14.428 34.863 1.00 0.00 H new ATOM 0 HA ALA B 23 100.051 -13.717 32.086 1.00 0.00 H new ATOM 0 HB1 ALA B 23 100.432 -11.427 32.956 1.00 0.00 H new ATOM 0 HB2 ALA B 23 99.247 -12.298 33.958 1.00 0.00 H new ATOM 0 HB3 ALA B 23 100.921 -12.103 34.528 1.00 0.00 H new ATOM 1216 N SER B 24 103.053 -13.722 33.451 1.00 0.00 N ATOM 1217 CA SER B 24 104.503 -13.695 33.103 1.00 0.00 C ATOM 1218 C SER B 24 104.836 -14.896 32.216 1.00 0.00 C ATOM 1219 O SER B 24 105.606 -14.801 31.280 1.00 0.00 O ATOM 1220 CB SER B 24 105.338 -13.753 34.384 1.00 0.00 C ATOM 1221 OG SER B 24 105.053 -12.611 35.176 1.00 0.00 O ATOM 0 H SER B 24 102.849 -13.907 34.433 1.00 0.00 H new ATOM 0 HA SER B 24 104.732 -12.774 32.566 1.00 0.00 H new ATOM 0 HB2 SER B 24 105.111 -14.663 34.940 1.00 0.00 H new ATOM 0 HB3 SER B 24 106.400 -13.786 34.140 1.00 0.00 H new ATOM 0 HG SER B 24 104.198 -12.738 35.637 1.00 0.00 H new ATOM 1227 N ASP B 25 104.274 -16.028 32.520 1.00 0.00 N ATOM 1228 CA ASP B 25 104.551 -17.254 31.721 1.00 0.00 C ATOM 1229 C ASP B 25 104.123 -17.040 30.268 1.00 0.00 C ATOM 1230 O ASP B 25 104.793 -17.459 29.346 1.00 0.00 O ATOM 1231 CB ASP B 25 103.779 -18.427 32.318 1.00 0.00 C ATOM 1232 CG ASP B 25 104.423 -18.857 33.638 1.00 0.00 C ATOM 1233 OD1 ASP B 25 105.572 -18.515 33.857 1.00 0.00 O ATOM 1234 OD2 ASP B 25 103.752 -19.525 34.407 1.00 0.00 O ATOM 0 H ASP B 25 103.626 -16.160 33.297 1.00 0.00 H new ATOM 0 HA ASP B 25 105.620 -17.468 31.745 1.00 0.00 H new ATOM 0 HB2 ASP B 25 102.740 -18.142 32.486 1.00 0.00 H new ATOM 0 HB3 ASP B 25 103.771 -19.262 31.618 1.00 0.00 H new ATOM 1239 N PHE B 26 102.997 -16.404 30.062 1.00 0.00 N ATOM 1240 CA PHE B 26 102.500 -16.160 28.668 1.00 0.00 C ATOM 1241 C PHE B 26 102.802 -14.723 28.249 1.00 0.00 C ATOM 1242 O PHE B 26 102.467 -14.304 27.159 1.00 0.00 O ATOM 1243 CB PHE B 26 100.990 -16.392 28.622 1.00 0.00 C ATOM 1244 CG PHE B 26 100.716 -17.872 28.699 1.00 0.00 C ATOM 1245 CD1 PHE B 26 100.654 -18.629 27.524 1.00 0.00 C ATOM 1246 CD2 PHE B 26 100.533 -18.488 29.943 1.00 0.00 C ATOM 1247 CE1 PHE B 26 100.405 -20.003 27.592 1.00 0.00 C ATOM 1248 CE2 PHE B 26 100.288 -19.863 30.011 1.00 0.00 C ATOM 1249 CZ PHE B 26 100.223 -20.622 28.834 1.00 0.00 C ATOM 0 H PHE B 26 102.396 -16.041 30.802 1.00 0.00 H new ATOM 0 HA PHE B 26 103.002 -16.845 27.985 1.00 0.00 H new ATOM 0 HB2 PHE B 26 100.505 -15.876 29.451 1.00 0.00 H new ATOM 0 HB3 PHE B 26 100.574 -15.980 27.703 1.00 0.00 H new ATOM 0 HD1 PHE B 26 100.798 -18.152 26.566 1.00 0.00 H new ATOM 0 HD2 PHE B 26 100.581 -17.902 30.849 1.00 0.00 H new ATOM 0 HE1 PHE B 26 100.353 -20.587 26.685 1.00 0.00 H new ATOM 0 HE2 PHE B 26 100.149 -20.340 30.970 1.00 0.00 H new ATOM 0 HZ PHE B 26 100.033 -21.684 28.886 1.00 0.00 H new ATOM 1259 N ASN B 27 103.434 -13.962 29.099 1.00 0.00 N ATOM 1260 CA ASN B 27 103.758 -12.555 28.735 1.00 0.00 C ATOM 1261 C ASN B 27 102.490 -11.834 28.270 1.00 0.00 C ATOM 1262 O ASN B 27 102.484 -11.168 27.254 1.00 0.00 O ATOM 1263 CB ASN B 27 104.796 -12.548 27.611 1.00 0.00 C ATOM 1264 CG ASN B 27 106.063 -13.256 28.091 1.00 0.00 C ATOM 1265 OD1 ASN B 27 106.494 -14.222 27.496 1.00 0.00 O ATOM 1266 ND2 ASN B 27 106.677 -12.815 29.152 1.00 0.00 N ATOM 0 H ASN B 27 103.739 -14.253 30.028 1.00 0.00 H new ATOM 0 HA ASN B 27 104.161 -12.040 29.607 1.00 0.00 H new ATOM 0 HB2 ASN B 27 104.397 -13.049 26.729 1.00 0.00 H new ATOM 0 HB3 ASN B 27 105.026 -11.523 27.319 1.00 0.00 H new ATOM 0 HD21 ASN B 27 107.521 -13.282 29.484 1.00 0.00 H new ATOM 0 HD22 ASN B 27 106.314 -12.003 29.651 1.00 0.00 H new ATOM 1273 N LEU B 28 101.417 -11.960 29.012 1.00 0.00 N ATOM 1274 CA LEU B 28 100.134 -11.283 28.637 1.00 0.00 C ATOM 1275 C LEU B 28 99.784 -10.269 29.724 1.00 0.00 C ATOM 1276 O LEU B 28 100.160 -10.437 30.867 1.00 0.00 O ATOM 1277 CB LEU B 28 99.020 -12.332 28.557 1.00 0.00 C ATOM 1278 CG LEU B 28 99.219 -13.211 27.312 1.00 0.00 C ATOM 1279 CD1 LEU B 28 98.392 -14.494 27.454 1.00 0.00 C ATOM 1280 CD2 LEU B 28 98.775 -12.456 26.041 1.00 0.00 C ATOM 0 H LEU B 28 101.374 -12.509 29.871 1.00 0.00 H new ATOM 0 HA LEU B 28 100.240 -10.783 27.674 1.00 0.00 H new ATOM 0 HB2 LEU B 28 99.026 -12.951 29.454 1.00 0.00 H new ATOM 0 HB3 LEU B 28 98.048 -11.841 28.515 1.00 0.00 H new ATOM 0 HG LEU B 28 100.277 -13.459 27.224 1.00 0.00 H new ATOM 0 HD11 LEU B 28 98.533 -15.117 26.571 1.00 0.00 H new ATOM 0 HD12 LEU B 28 98.717 -15.040 28.340 1.00 0.00 H new ATOM 0 HD13 LEU B 28 97.337 -14.238 27.552 1.00 0.00 H new ATOM 0 HD21 LEU B 28 98.923 -13.093 25.169 1.00 0.00 H new ATOM 0 HD22 LEU B 28 97.720 -12.193 26.124 1.00 0.00 H new ATOM 0 HD23 LEU B 28 99.368 -11.548 25.931 1.00 0.00 H new ATOM 1292 N PRO B 29 99.065 -9.224 29.395 1.00 0.00 N ATOM 1293 CA PRO B 29 98.681 -8.203 30.401 1.00 0.00 C ATOM 1294 C PRO B 29 97.670 -8.781 31.399 1.00 0.00 C ATOM 1295 O PRO B 29 97.012 -9.762 31.119 1.00 0.00 O ATOM 1296 CB PRO B 29 98.058 -7.072 29.566 1.00 0.00 C ATOM 1297 CG PRO B 29 97.577 -7.735 28.315 1.00 0.00 C ATOM 1298 CD PRO B 29 98.543 -8.894 28.052 1.00 0.00 C ATOM 0 HA PRO B 29 99.525 -7.858 30.998 1.00 0.00 H new ATOM 0 HB2 PRO B 29 97.237 -6.593 30.100 1.00 0.00 H new ATOM 0 HB3 PRO B 29 98.790 -6.295 29.345 1.00 0.00 H new ATOM 0 HG2 PRO B 29 96.556 -8.098 28.434 1.00 0.00 H new ATOM 0 HG3 PRO B 29 97.572 -7.035 27.480 1.00 0.00 H new ATOM 0 HD2 PRO B 29 98.034 -9.745 27.600 1.00 0.00 H new ATOM 0 HD3 PRO B 29 99.343 -8.602 27.372 1.00 0.00 H new ATOM 1306 N PRO B 30 97.551 -8.191 32.552 1.00 0.00 N ATOM 1307 CA PRO B 30 96.609 -8.677 33.597 1.00 0.00 C ATOM 1308 C PRO B 30 95.180 -8.821 33.055 1.00 0.00 C ATOM 1309 O PRO B 30 94.363 -9.523 33.610 1.00 0.00 O ATOM 1310 CB PRO B 30 96.691 -7.605 34.709 1.00 0.00 C ATOM 1311 CG PRO B 30 97.405 -6.434 34.097 1.00 0.00 C ATOM 1312 CD PRO B 30 98.290 -7.002 32.993 1.00 0.00 C ATOM 0 HA PRO B 30 96.872 -9.671 33.958 1.00 0.00 H new ATOM 0 HB2 PRO B 30 95.696 -7.321 35.052 1.00 0.00 H new ATOM 0 HB3 PRO B 30 97.232 -7.983 35.577 1.00 0.00 H new ATOM 0 HG2 PRO B 30 96.694 -5.713 33.693 1.00 0.00 H new ATOM 0 HG3 PRO B 30 98.002 -5.910 34.843 1.00 0.00 H new ATOM 0 HD2 PRO B 30 98.428 -6.289 32.180 1.00 0.00 H new ATOM 0 HD3 PRO B 30 99.282 -7.259 33.364 1.00 0.00 H new ATOM 1320 N VAL B 31 94.866 -8.154 31.978 1.00 0.00 N ATOM 1321 CA VAL B 31 93.485 -8.257 31.431 1.00 0.00 C ATOM 1322 C VAL B 31 93.160 -9.717 31.135 1.00 0.00 C ATOM 1323 O VAL B 31 92.204 -10.266 31.648 1.00 0.00 O ATOM 1324 CB VAL B 31 93.393 -7.441 30.131 1.00 0.00 C ATOM 1325 CG1 VAL B 31 91.967 -7.483 29.554 1.00 0.00 C ATOM 1326 CG2 VAL B 31 93.775 -5.989 30.419 1.00 0.00 C ATOM 0 H VAL B 31 95.500 -7.548 31.458 1.00 0.00 H new ATOM 0 HA VAL B 31 92.774 -7.869 32.161 1.00 0.00 H new ATOM 0 HB VAL B 31 94.076 -7.875 29.401 1.00 0.00 H new ATOM 0 HG11 VAL B 31 91.929 -6.898 28.635 1.00 0.00 H new ATOM 0 HG12 VAL B 31 91.692 -8.516 29.339 1.00 0.00 H new ATOM 0 HG13 VAL B 31 91.269 -7.065 30.279 1.00 0.00 H new ATOM 0 HG21 VAL B 31 93.711 -5.407 29.500 1.00 0.00 H new ATOM 0 HG22 VAL B 31 93.092 -5.573 31.160 1.00 0.00 H new ATOM 0 HG23 VAL B 31 94.794 -5.950 30.803 1.00 0.00 H new ATOM 1336 N VAL B 32 93.939 -10.342 30.307 1.00 0.00 N ATOM 1337 CA VAL B 32 93.664 -11.760 29.968 1.00 0.00 C ATOM 1338 C VAL B 32 93.774 -12.612 31.228 1.00 0.00 C ATOM 1339 O VAL B 32 92.911 -13.410 31.526 1.00 0.00 O ATOM 1340 CB VAL B 32 94.680 -12.227 28.929 1.00 0.00 C ATOM 1341 CG1 VAL B 32 94.527 -13.732 28.699 1.00 0.00 C ATOM 1342 CG2 VAL B 32 94.440 -11.469 27.618 1.00 0.00 C ATOM 0 H VAL B 32 94.754 -9.934 29.850 1.00 0.00 H new ATOM 0 HA VAL B 32 92.658 -11.859 29.560 1.00 0.00 H new ATOM 0 HB VAL B 32 95.691 -12.026 29.285 1.00 0.00 H new ATOM 0 HG11 VAL B 32 95.254 -14.062 27.957 1.00 0.00 H new ATOM 0 HG12 VAL B 32 94.698 -14.262 29.636 1.00 0.00 H new ATOM 0 HG13 VAL B 32 93.520 -13.945 28.340 1.00 0.00 H new ATOM 0 HG21 VAL B 32 95.162 -11.797 26.870 1.00 0.00 H new ATOM 0 HG22 VAL B 32 93.430 -11.671 27.260 1.00 0.00 H new ATOM 0 HG23 VAL B 32 94.557 -10.399 27.790 1.00 0.00 H new ATOM 1352 N ALA B 33 94.830 -12.452 31.970 1.00 0.00 N ATOM 1353 CA ALA B 33 94.990 -13.258 33.209 1.00 0.00 C ATOM 1354 C ALA B 33 93.831 -12.979 34.165 1.00 0.00 C ATOM 1355 O ALA B 33 93.217 -13.891 34.684 1.00 0.00 O ATOM 1356 CB ALA B 33 96.312 -12.911 33.887 1.00 0.00 C ATOM 0 H ALA B 33 95.589 -11.799 31.773 1.00 0.00 H new ATOM 0 HA ALA B 33 94.990 -14.316 32.946 1.00 0.00 H new ATOM 0 HB1 ALA B 33 96.423 -13.505 34.794 1.00 0.00 H new ATOM 0 HB2 ALA B 33 97.137 -13.128 33.208 1.00 0.00 H new ATOM 0 HB3 ALA B 33 96.322 -11.852 34.144 1.00 0.00 H new ATOM 1362 N LYS B 34 93.518 -11.730 34.412 1.00 0.00 N ATOM 1363 CA LYS B 34 92.394 -11.441 35.339 1.00 0.00 C ATOM 1364 C LYS B 34 91.091 -11.987 34.756 1.00 0.00 C ATOM 1365 O LYS B 34 90.261 -12.521 35.465 1.00 0.00 O ATOM 1366 CB LYS B 34 92.274 -9.931 35.594 1.00 0.00 C ATOM 1367 CG LYS B 34 93.463 -9.459 36.449 1.00 0.00 C ATOM 1368 CD LYS B 34 93.348 -7.953 36.703 1.00 0.00 C ATOM 1369 CE LYS B 34 94.527 -7.469 37.558 1.00 0.00 C ATOM 1370 NZ LYS B 34 94.246 -7.755 38.996 1.00 0.00 N ATOM 0 H LYS B 34 93.986 -10.915 34.017 1.00 0.00 H new ATOM 0 HA LYS B 34 92.592 -11.931 36.293 1.00 0.00 H new ATOM 0 HB2 LYS B 34 92.257 -9.392 34.647 1.00 0.00 H new ATOM 0 HB3 LYS B 34 91.336 -9.711 36.103 1.00 0.00 H new ATOM 0 HG2 LYS B 34 93.479 -9.998 37.397 1.00 0.00 H new ATOM 0 HG3 LYS B 34 94.401 -9.682 35.940 1.00 0.00 H new ATOM 0 HD2 LYS B 34 93.333 -7.417 35.754 1.00 0.00 H new ATOM 0 HD3 LYS B 34 92.408 -7.733 37.209 1.00 0.00 H new ATOM 0 HE2 LYS B 34 95.445 -7.969 37.249 1.00 0.00 H new ATOM 0 HE3 LYS B 34 94.682 -6.400 37.412 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 95.044 -7.428 39.577 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 93.380 -7.258 39.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 94.119 -8.779 39.128 1.00 0.00 H new ATOM 1384 N GLU B 35 90.895 -11.859 33.471 1.00 0.00 N ATOM 1385 CA GLU B 35 89.642 -12.371 32.855 1.00 0.00 C ATOM 1386 C GLU B 35 89.524 -13.885 33.075 1.00 0.00 C ATOM 1387 O GLU B 35 88.462 -14.393 33.366 1.00 0.00 O ATOM 1388 CB GLU B 35 89.657 -12.071 31.356 1.00 0.00 C ATOM 1389 CG GLU B 35 88.242 -12.177 30.779 1.00 0.00 C ATOM 1390 CD GLU B 35 87.775 -13.633 30.819 1.00 0.00 C ATOM 1391 OE1 GLU B 35 88.517 -14.483 30.356 1.00 0.00 O ATOM 1392 OE2 GLU B 35 86.684 -13.872 31.310 1.00 0.00 O ATOM 0 H GLU B 35 91.550 -11.422 32.823 1.00 0.00 H new ATOM 0 HA GLU B 35 88.788 -11.880 33.321 1.00 0.00 H new ATOM 0 HB2 GLU B 35 90.054 -11.071 31.182 1.00 0.00 H new ATOM 0 HB3 GLU B 35 90.319 -12.770 30.845 1.00 0.00 H new ATOM 0 HG2 GLU B 35 87.558 -11.550 31.351 1.00 0.00 H new ATOM 0 HG3 GLU B 35 88.229 -11.809 29.753 1.00 0.00 H new ATOM 1399 N ILE B 36 90.604 -14.614 32.939 1.00 0.00 N ATOM 1400 CA ILE B 36 90.523 -16.090 33.143 1.00 0.00 C ATOM 1401 C ILE B 36 90.135 -16.360 34.597 1.00 0.00 C ATOM 1402 O ILE B 36 89.342 -17.232 34.892 1.00 0.00 O ATOM 1403 CB ILE B 36 91.886 -16.732 32.845 1.00 0.00 C ATOM 1404 CG1 ILE B 36 92.178 -16.633 31.343 1.00 0.00 C ATOM 1405 CG2 ILE B 36 91.865 -18.208 33.261 1.00 0.00 C ATOM 1406 CD1 ILE B 36 93.663 -16.915 31.086 1.00 0.00 C ATOM 0 H ILE B 36 91.528 -14.255 32.698 1.00 0.00 H new ATOM 0 HA ILE B 36 89.778 -16.517 32.471 1.00 0.00 H new ATOM 0 HB ILE B 36 92.661 -16.209 33.406 1.00 0.00 H new ATOM 0 HG12 ILE B 36 91.562 -17.346 30.795 1.00 0.00 H new ATOM 0 HG13 ILE B 36 91.918 -15.640 30.977 1.00 0.00 H new ATOM 0 HG21 ILE B 36 92.834 -18.660 33.048 1.00 0.00 H new ATOM 0 HG22 ILE B 36 91.657 -18.282 34.328 1.00 0.00 H new ATOM 0 HG23 ILE B 36 91.089 -18.732 32.703 1.00 0.00 H new ATOM 0 HD11 ILE B 36 93.867 -16.844 30.018 1.00 0.00 H new ATOM 0 HD12 ILE B 36 94.270 -16.185 31.621 1.00 0.00 H new ATOM 0 HD13 ILE B 36 93.909 -17.917 31.436 1.00 0.00 H new ATOM 1418 N VAL B 37 90.689 -15.605 35.499 1.00 0.00 N ATOM 1419 CA VAL B 37 90.369 -15.789 36.940 1.00 0.00 C ATOM 1420 C VAL B 37 88.913 -15.378 37.182 1.00 0.00 C ATOM 1421 O VAL B 37 88.193 -16.002 37.936 1.00 0.00 O ATOM 1422 CB VAL B 37 91.322 -14.914 37.775 1.00 0.00 C ATOM 1423 CG1 VAL B 37 91.051 -15.108 39.275 1.00 0.00 C ATOM 1424 CG2 VAL B 37 92.782 -15.299 37.468 1.00 0.00 C ATOM 0 H VAL B 37 91.357 -14.860 35.299 1.00 0.00 H new ATOM 0 HA VAL B 37 90.495 -16.832 37.232 1.00 0.00 H new ATOM 0 HB VAL B 37 91.153 -13.869 37.515 1.00 0.00 H new ATOM 0 HG11 VAL B 37 91.733 -14.483 39.852 1.00 0.00 H new ATOM 0 HG12 VAL B 37 90.022 -14.825 39.498 1.00 0.00 H new ATOM 0 HG13 VAL B 37 91.206 -16.154 39.540 1.00 0.00 H new ATOM 0 HG21 VAL B 37 93.454 -14.678 38.060 1.00 0.00 H new ATOM 0 HG22 VAL B 37 92.942 -16.348 37.718 1.00 0.00 H new ATOM 0 HG23 VAL B 37 92.984 -15.144 36.408 1.00 0.00 H new ATOM 1434 N ALA B 38 88.478 -14.323 36.549 1.00 0.00 N ATOM 1435 CA ALA B 38 87.074 -13.856 36.744 1.00 0.00 C ATOM 1436 C ALA B 38 86.099 -14.890 36.177 1.00 0.00 C ATOM 1437 O ALA B 38 84.990 -15.037 36.654 1.00 0.00 O ATOM 1438 CB ALA B 38 86.872 -12.523 36.018 1.00 0.00 C ATOM 0 H ALA B 38 89.035 -13.763 35.904 1.00 0.00 H new ATOM 0 HA ALA B 38 86.886 -13.727 37.810 1.00 0.00 H new ATOM 0 HB1 ALA B 38 85.846 -12.183 36.161 1.00 0.00 H new ATOM 0 HB2 ALA B 38 87.560 -11.781 36.422 1.00 0.00 H new ATOM 0 HB3 ALA B 38 87.065 -12.656 34.953 1.00 0.00 H new ATOM 1444 N SER B 39 86.494 -15.601 35.160 1.00 0.00 N ATOM 1445 CA SER B 39 85.577 -16.611 34.560 1.00 0.00 C ATOM 1446 C SER B 39 85.426 -17.791 35.517 1.00 0.00 C ATOM 1447 O SER B 39 84.378 -18.400 35.608 1.00 0.00 O ATOM 1448 CB SER B 39 86.157 -17.104 33.234 1.00 0.00 C ATOM 1449 OG SER B 39 86.129 -16.048 32.282 1.00 0.00 O ATOM 0 H SER B 39 87.410 -15.528 34.718 1.00 0.00 H new ATOM 0 HA SER B 39 84.602 -16.157 34.384 1.00 0.00 H new ATOM 0 HB2 SER B 39 87.180 -17.450 33.379 1.00 0.00 H new ATOM 0 HB3 SER B 39 85.582 -17.954 32.867 1.00 0.00 H new ATOM 0 HG SER B 39 86.788 -15.366 32.530 1.00 0.00 H new ATOM 1455 N CYS B 40 86.458 -18.113 36.241 1.00 0.00 N ATOM 1456 CA CYS B 40 86.362 -19.248 37.199 1.00 0.00 C ATOM 1457 C CYS B 40 85.525 -18.801 38.405 1.00 0.00 C ATOM 1458 O CYS B 40 85.908 -17.920 39.153 1.00 0.00 O ATOM 1459 CB CYS B 40 87.772 -19.645 37.641 1.00 0.00 C ATOM 1460 SG CYS B 40 87.681 -20.987 38.851 1.00 0.00 S ATOM 0 H CYS B 40 87.362 -17.642 36.212 1.00 0.00 H new ATOM 0 HA CYS B 40 85.884 -20.109 36.732 1.00 0.00 H new ATOM 0 HB2 CYS B 40 88.358 -19.961 36.778 1.00 0.00 H new ATOM 0 HB3 CYS B 40 88.282 -18.785 38.076 1.00 0.00 H new ATOM 0 HG CYS B 40 88.826 -21.601 38.905 1.00 0.00 H new ATOM 1465 N ASP B 41 84.372 -19.390 38.583 1.00 0.00 N ATOM 1466 CA ASP B 41 83.477 -18.997 39.716 1.00 0.00 C ATOM 1467 C ASP B 41 84.170 -19.227 41.060 1.00 0.00 C ATOM 1468 O ASP B 41 84.052 -18.432 41.972 1.00 0.00 O ATOM 1469 CB ASP B 41 82.196 -19.837 39.663 1.00 0.00 C ATOM 1470 CG ASP B 41 81.342 -19.397 38.472 1.00 0.00 C ATOM 1471 OD1 ASP B 41 81.678 -18.389 37.869 1.00 0.00 O ATOM 1472 OD2 ASP B 41 80.364 -20.068 38.188 1.00 0.00 O ATOM 0 H ASP B 41 84.007 -20.133 37.988 1.00 0.00 H new ATOM 0 HA ASP B 41 83.239 -17.938 39.620 1.00 0.00 H new ATOM 0 HB2 ASP B 41 82.446 -20.894 39.573 1.00 0.00 H new ATOM 0 HB3 ASP B 41 81.634 -19.720 40.589 1.00 0.00 H new ATOM 1477 N LYS B 42 84.881 -20.308 41.194 1.00 0.00 N ATOM 1478 CA LYS B 42 85.566 -20.593 42.486 1.00 0.00 C ATOM 1479 C LYS B 42 86.557 -19.468 42.805 1.00 0.00 C ATOM 1480 O LYS B 42 86.697 -19.063 43.943 1.00 0.00 O ATOM 1481 CB LYS B 42 86.317 -21.929 42.377 1.00 0.00 C ATOM 1482 CG LYS B 42 85.331 -23.082 42.089 1.00 0.00 C ATOM 1483 CD LYS B 42 84.561 -23.517 43.358 1.00 0.00 C ATOM 1484 CE LYS B 42 85.528 -24.002 44.453 1.00 0.00 C ATOM 1485 NZ LYS B 42 86.737 -24.604 43.826 1.00 0.00 N ATOM 0 H LYS B 42 85.019 -21.008 40.465 1.00 0.00 H new ATOM 0 HA LYS B 42 84.827 -20.654 43.285 1.00 0.00 H new ATOM 0 HB2 LYS B 42 87.060 -21.871 41.582 1.00 0.00 H new ATOM 0 HB3 LYS B 42 86.856 -22.127 43.304 1.00 0.00 H new ATOM 0 HG2 LYS B 42 84.621 -22.769 41.324 1.00 0.00 H new ATOM 0 HG3 LYS B 42 85.878 -23.935 41.687 1.00 0.00 H new ATOM 0 HD2 LYS B 42 83.971 -22.681 43.734 1.00 0.00 H new ATOM 0 HD3 LYS B 42 83.861 -24.314 43.107 1.00 0.00 H new ATOM 0 HE2 LYS B 42 85.816 -23.168 45.093 1.00 0.00 H new ATOM 0 HE3 LYS B 42 85.033 -24.736 45.089 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 87.225 -25.206 44.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 86.454 -25.179 43.007 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 87.378 -23.848 43.512 1.00 0.00 H new ATOM 1499 N CYS B 43 87.248 -18.966 41.818 1.00 0.00 N ATOM 1500 CA CYS B 43 88.233 -17.877 42.079 1.00 0.00 C ATOM 1501 C CYS B 43 87.501 -16.566 42.381 1.00 0.00 C ATOM 1502 O CYS B 43 87.978 -15.737 43.128 1.00 0.00 O ATOM 1503 CB CYS B 43 89.103 -17.653 40.840 1.00 0.00 C ATOM 1504 SG CYS B 43 90.110 -19.113 40.515 1.00 0.00 S ATOM 0 H CYS B 43 87.174 -19.262 40.845 1.00 0.00 H new ATOM 0 HA CYS B 43 88.848 -18.171 42.929 1.00 0.00 H new ATOM 0 HB2 CYS B 43 88.472 -17.438 39.978 1.00 0.00 H new ATOM 0 HB3 CYS B 43 89.745 -16.785 40.990 1.00 0.00 H new ATOM 0 HG CYS B 43 89.459 -19.924 39.735 1.00 0.00 H new ATOM 1509 N GLN B 44 86.362 -16.361 41.778 1.00 0.00 N ATOM 1510 CA GLN B 44 85.622 -15.084 41.996 1.00 0.00 C ATOM 1511 C GLN B 44 84.900 -15.107 43.343 1.00 0.00 C ATOM 1512 O GLN B 44 85.281 -14.421 44.269 1.00 0.00 O ATOM 1513 CB GLN B 44 84.597 -14.918 40.872 1.00 0.00 C ATOM 1514 CG GLN B 44 84.053 -13.488 40.853 1.00 0.00 C ATOM 1515 CD GLN B 44 83.057 -13.353 39.698 1.00 0.00 C ATOM 1516 OE1 GLN B 44 81.913 -12.993 39.899 1.00 0.00 O ATOM 1517 NE2 GLN B 44 83.450 -13.639 38.488 1.00 0.00 N ATOM 0 H GLN B 44 85.912 -17.021 41.144 1.00 0.00 H new ATOM 0 HA GLN B 44 86.327 -14.252 41.995 1.00 0.00 H new ATOM 0 HB2 GLN B 44 85.059 -15.151 39.913 1.00 0.00 H new ATOM 0 HB3 GLN B 44 83.778 -15.624 41.011 1.00 0.00 H new ATOM 0 HG2 GLN B 44 83.566 -13.257 41.800 1.00 0.00 H new ATOM 0 HG3 GLN B 44 84.869 -12.776 40.733 1.00 0.00 H new ATOM 0 HE21 GLN B 44 84.410 -13.941 38.322 1.00 0.00 H new ATOM 0 HE22 GLN B 44 82.797 -13.561 37.708 1.00 0.00 H new