USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 HIS : no HD1:sc= 0.119 K(o=0.61,f=-1.4) USER MOD Set 1.2: A 12 SER OG : rot -104:sc= 0.496 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0833) USER MOD Single : A 3 SER OG : rot 50:sc= 0.136 USER MOD Single : A 4 SER OG : rot 42:sc= 0.1 USER MOD Single : A 5 HIS : no HD1:sc=-0.00479 X(o=-0.0048,f=-0.0048) USER MOD Single : A 6 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.1) USER MOD Single : A 7 HIS : no HD1:sc= -0.0011 X(o=-0.0011,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.23) USER MOD Single : A 9 HIS : no HD1:sc= -0.574 X(o=-0.57,f=-0.082) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.217 K(o=-0.22,f=-3.8!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 22 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0848 USER MOD Single : A 30 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.12) USER MOD Single : A 36 SER OG : rot 69:sc= 0.95 USER MOD Single : A 49 HIS : no HD1:sc= -0.522 K(o=0.99,f=-8.8!) USER MOD Single : A 54 GLN : amide:sc= 0.61 K(o=0.61,f=-0.26) USER MOD Single : A 55 ASN : amide:sc= -0.795 K(o=-0.8,f=0) USER MOD Single : A 56 MET CE :methyl 160:sc= -0.194 (180deg=-0.848) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0562 USER MOD Single : A 62 SER OG : rot 34:sc= 0.229 USER MOD Single : A 73 HIS : no HD1:sc= -0.769 K(o=-0.77,f=-3!) USER MOD Single : A 85 THR OG1 : rot 91:sc= 1.33 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.134 -9.300 -23.505 1.00 0.00 N ATOM 2 CA MET A 1 30.763 -8.614 -24.661 1.00 52.33 C ATOM 3 C MET A 1 29.744 -7.766 -25.413 1.00 61.21 C ATOM 4 O MET A 1 30.067 -6.675 -25.891 1.00 72.25 O ATOM 5 CB MET A 1 31.386 -9.634 -25.615 1.00 71.34 C ATOM 6 CG MET A 1 32.058 -9.008 -26.828 1.00 13.42 C ATOM 7 SD MET A 1 32.714 -10.239 -27.969 1.00 55.40 S ATOM 8 CE MET A 1 33.419 -9.186 -29.234 1.00 21.50 C ATOM 0 H1 MET A 1 30.871 -9.746 -22.923 1.00 0.00 H new ATOM 0 H2 MET A 1 29.612 -8.607 -22.932 1.00 0.00 H new ATOM 0 H3 MET A 1 29.477 -10.029 -23.849 1.00 0.00 H new ATOM 0 HA MET A 1 31.545 -7.960 -24.275 1.00 52.33 H new ATOM 0 HB2 MET A 1 32.120 -10.227 -25.070 1.00 71.34 H new ATOM 0 HB3 MET A 1 30.611 -10.321 -25.955 1.00 71.34 H new ATOM 0 HG2 MET A 1 31.339 -8.378 -27.352 1.00 13.42 H new ATOM 0 HG3 MET A 1 32.868 -8.358 -26.495 1.00 13.42 H new ATOM 0 HE1 MET A 1 33.865 -9.803 -30.014 1.00 21.50 H new ATOM 0 HE2 MET A 1 32.636 -8.564 -29.667 1.00 21.50 H new ATOM 0 HE3 MET A 1 34.185 -8.549 -28.792 1.00 21.50 H new ATOM 20 N GLY A 2 28.519 -8.258 -25.520 1.00 54.12 N ATOM 21 CA GLY A 2 27.497 -7.517 -26.220 1.00 0.22 C ATOM 22 C GLY A 2 26.262 -8.343 -26.515 1.00 31.43 C ATOM 23 O GLY A 2 26.350 -9.440 -27.071 1.00 1.13 O ATOM 0 H GLY A 2 28.217 -9.153 -25.136 1.00 54.12 H new ATOM 0 HA2 GLY A 2 27.213 -6.649 -25.624 1.00 0.22 H new ATOM 0 HA3 GLY A 2 27.907 -7.140 -27.157 1.00 0.22 H new ATOM 27 N SER A 3 25.116 -7.815 -26.123 1.00 53.03 N ATOM 28 CA SER A 3 23.831 -8.411 -26.450 1.00 21.33 C ATOM 29 C SER A 3 22.762 -7.322 -26.468 1.00 51.54 C ATOM 30 O SER A 3 22.058 -7.097 -25.482 1.00 34.14 O ATOM 31 CB SER A 3 23.479 -9.528 -25.458 1.00 63.41 C ATOM 32 OG SER A 3 23.641 -9.101 -24.112 1.00 52.42 O ATOM 0 H SER A 3 25.049 -6.961 -25.569 1.00 53.03 H new ATOM 0 HA SER A 3 23.884 -8.866 -27.439 1.00 21.33 H new ATOM 0 HB2 SER A 3 22.449 -9.847 -25.618 1.00 63.41 H new ATOM 0 HB3 SER A 3 24.113 -10.395 -25.645 1.00 63.41 H new ATOM 0 HG SER A 3 23.184 -8.244 -23.983 1.00 52.42 H new ATOM 38 N SER A 4 22.677 -6.618 -27.584 1.00 4.12 N ATOM 39 CA SER A 4 21.821 -5.452 -27.684 1.00 13.14 C ATOM 40 C SER A 4 20.417 -5.828 -28.149 1.00 41.53 C ATOM 41 O SER A 4 20.229 -6.364 -29.240 1.00 74.14 O ATOM 42 CB SER A 4 22.452 -4.422 -28.628 1.00 31.21 C ATOM 43 OG SER A 4 22.819 -5.010 -29.868 1.00 33.12 O ATOM 0 H SER A 4 23.193 -6.836 -28.436 1.00 4.12 H new ATOM 0 HA SER A 4 21.726 -5.011 -26.692 1.00 13.14 H new ATOM 0 HB2 SER A 4 21.748 -3.609 -28.804 1.00 31.21 H new ATOM 0 HB3 SER A 4 23.332 -3.985 -28.156 1.00 31.21 H new ATOM 0 HG SER A 4 22.115 -5.626 -30.159 1.00 33.12 H new ATOM 49 N HIS A 5 19.440 -5.567 -27.293 1.00 23.12 N ATOM 50 CA HIS A 5 18.037 -5.786 -27.616 1.00 53.11 C ATOM 51 C HIS A 5 17.213 -4.627 -27.069 1.00 41.12 C ATOM 52 O HIS A 5 17.097 -4.464 -25.855 1.00 73.43 O ATOM 53 CB HIS A 5 17.521 -7.103 -27.016 1.00 14.10 C ATOM 54 CG HIS A 5 18.249 -8.331 -27.478 1.00 42.21 C ATOM 55 ND1 HIS A 5 18.014 -8.937 -28.692 1.00 32.31 N ATOM 56 CD2 HIS A 5 19.204 -9.076 -26.870 1.00 42.13 C ATOM 57 CE1 HIS A 5 18.787 -9.998 -28.811 1.00 1.30 C ATOM 58 NE2 HIS A 5 19.517 -10.104 -27.720 1.00 13.03 N ATOM 0 H HIS A 5 19.597 -5.198 -26.355 1.00 23.12 H new ATOM 0 HA HIS A 5 17.940 -5.846 -28.700 1.00 53.11 H new ATOM 0 HB2 HIS A 5 17.590 -7.043 -25.930 1.00 14.10 H new ATOM 0 HB3 HIS A 5 16.465 -7.209 -27.263 1.00 14.10 H new ATOM 0 HD2 HIS A 5 19.637 -8.894 -25.898 1.00 42.13 H new ATOM 0 HE1 HIS A 5 18.817 -10.666 -29.659 1.00 1.30 H new ATOM 0 HE2 HIS A 5 20.205 -10.834 -27.537 1.00 13.03 H new ATOM 67 N HIS A 6 16.664 -3.813 -27.954 1.00 50.22 N ATOM 68 CA HIS A 6 15.901 -2.646 -27.533 1.00 65.44 C ATOM 69 C HIS A 6 14.868 -2.257 -28.581 1.00 13.31 C ATOM 70 O HIS A 6 15.208 -1.762 -29.655 1.00 4.22 O ATOM 71 CB HIS A 6 16.833 -1.460 -27.206 1.00 60.34 C ATOM 72 CG HIS A 6 17.764 -1.050 -28.313 1.00 1.44 C ATOM 73 ND1 HIS A 6 19.009 -1.608 -28.497 1.00 70.14 N ATOM 74 CD2 HIS A 6 17.635 -0.110 -29.281 1.00 61.31 C ATOM 75 CE1 HIS A 6 19.603 -1.033 -29.523 1.00 50.42 C ATOM 76 NE2 HIS A 6 18.791 -0.117 -30.020 1.00 42.20 N ATOM 0 H HIS A 6 16.730 -3.936 -28.964 1.00 50.22 H new ATOM 0 HA HIS A 6 15.366 -2.911 -26.621 1.00 65.44 H new ATOM 0 HB2 HIS A 6 16.219 -0.602 -26.933 1.00 60.34 H new ATOM 0 HB3 HIS A 6 17.428 -1.718 -26.330 1.00 60.34 H new ATOM 0 HD2 HIS A 6 16.779 0.528 -29.441 1.00 61.31 H new ATOM 0 HE1 HIS A 6 20.589 -1.271 -29.895 1.00 50.42 H new ATOM 0 HE2 HIS A 6 18.990 0.484 -30.819 1.00 42.20 H new ATOM 85 N HIS A 7 13.606 -2.520 -28.275 1.00 60.43 N ATOM 86 CA HIS A 7 12.505 -2.121 -29.142 1.00 73.03 C ATOM 87 C HIS A 7 11.237 -1.864 -28.337 1.00 72.24 C ATOM 88 O HIS A 7 10.570 -2.802 -27.905 1.00 64.24 O ATOM 89 CB HIS A 7 12.220 -3.188 -30.207 1.00 14.00 C ATOM 90 CG HIS A 7 12.866 -2.912 -31.532 1.00 22.30 C ATOM 91 ND1 HIS A 7 12.283 -2.122 -32.495 1.00 34.34 N ATOM 92 CD2 HIS A 7 14.043 -3.327 -32.053 1.00 34.04 C ATOM 93 CE1 HIS A 7 13.071 -2.061 -33.550 1.00 10.22 C ATOM 94 NE2 HIS A 7 14.147 -2.782 -33.309 1.00 61.23 N ATOM 0 H HIS A 7 13.317 -3.010 -27.429 1.00 60.43 H new ATOM 0 HA HIS A 7 12.807 -1.198 -29.637 1.00 73.03 H new ATOM 0 HB2 HIS A 7 12.565 -4.155 -29.840 1.00 14.00 H new ATOM 0 HB3 HIS A 7 11.142 -3.267 -30.349 1.00 14.00 H new ATOM 0 HD2 HIS A 7 14.766 -3.968 -31.571 1.00 34.04 H new ATOM 0 HE1 HIS A 7 12.869 -1.513 -34.458 1.00 10.22 H new ATOM 0 HE2 HIS A 7 14.929 -2.914 -33.950 1.00 61.23 H new ATOM 103 N HIS A 8 10.925 -0.597 -28.113 1.00 70.32 N ATOM 104 CA HIS A 8 9.651 -0.228 -27.516 1.00 2.10 C ATOM 105 C HIS A 8 9.121 1.032 -28.194 1.00 33.53 C ATOM 106 O HIS A 8 9.774 2.076 -28.191 1.00 34.23 O ATOM 107 CB HIS A 8 9.763 -0.048 -25.984 1.00 74.21 C ATOM 108 CG HIS A 8 10.373 1.247 -25.523 1.00 0.01 C ATOM 109 ND1 HIS A 8 9.670 2.179 -24.792 1.00 13.23 N ATOM 110 CD2 HIS A 8 11.622 1.758 -25.675 1.00 23.22 C ATOM 111 CE1 HIS A 8 10.451 3.204 -24.518 1.00 43.21 C ATOM 112 NE2 HIS A 8 11.639 2.976 -25.040 1.00 34.34 N ATOM 0 H HIS A 8 11.534 0.191 -28.335 1.00 70.32 H new ATOM 0 HA HIS A 8 8.942 -1.040 -27.676 1.00 2.10 H new ATOM 0 HB2 HIS A 8 8.766 -0.132 -25.553 1.00 74.21 H new ATOM 0 HB3 HIS A 8 10.355 -0.871 -25.582 1.00 74.21 H new ATOM 0 HD2 HIS A 8 12.446 1.294 -26.197 1.00 23.22 H new ATOM 0 HE1 HIS A 8 10.165 4.083 -23.959 1.00 43.21 H new ATOM 0 HE2 HIS A 8 12.442 3.603 -24.982 1.00 34.34 H new ATOM 121 N HIS A 9 7.960 0.917 -28.814 1.00 41.15 N ATOM 122 CA HIS A 9 7.375 2.030 -29.544 1.00 22.52 C ATOM 123 C HIS A 9 5.851 2.000 -29.441 1.00 33.21 C ATOM 124 O HIS A 9 5.179 1.303 -30.202 1.00 13.11 O ATOM 125 CB HIS A 9 7.814 1.983 -31.018 1.00 72.40 C ATOM 126 CG HIS A 9 7.405 3.175 -31.835 1.00 3.20 C ATOM 127 ND1 HIS A 9 8.297 3.929 -32.567 1.00 65.51 N ATOM 128 CD2 HIS A 9 6.187 3.725 -32.054 1.00 34.14 C ATOM 129 CE1 HIS A 9 7.644 4.892 -33.192 1.00 71.44 C ATOM 130 NE2 HIS A 9 6.363 4.787 -32.897 1.00 0.32 N ATOM 0 H HIS A 9 7.402 0.063 -28.827 1.00 41.15 H new ATOM 0 HA HIS A 9 7.729 2.961 -29.101 1.00 22.52 H new ATOM 0 HB2 HIS A 9 8.899 1.889 -31.056 1.00 72.40 H new ATOM 0 HB3 HIS A 9 7.400 1.086 -31.478 1.00 72.40 H new ATOM 0 HD2 HIS A 9 5.249 3.387 -31.639 1.00 34.14 H new ATOM 0 HE1 HIS A 9 8.085 5.639 -33.836 1.00 71.44 H new ATOM 0 HE2 HIS A 9 5.623 5.399 -33.242 1.00 0.32 H new ATOM 139 N HIS A 10 5.313 2.745 -28.487 1.00 11.44 N ATOM 140 CA HIS A 10 3.873 2.907 -28.357 1.00 4.33 C ATOM 141 C HIS A 10 3.558 4.387 -28.200 1.00 63.45 C ATOM 142 O HIS A 10 2.894 4.804 -27.249 1.00 11.01 O ATOM 143 CB HIS A 10 3.337 2.115 -27.161 1.00 60.22 C ATOM 144 CG HIS A 10 1.853 1.905 -27.195 1.00 51.43 C ATOM 145 ND1 HIS A 10 0.937 2.873 -26.834 1.00 34.22 N ATOM 146 CD2 HIS A 10 1.126 0.824 -27.556 1.00 5.40 C ATOM 147 CE1 HIS A 10 -0.284 2.396 -26.972 1.00 62.31 C ATOM 148 NE2 HIS A 10 -0.196 1.155 -27.408 1.00 64.01 N ATOM 0 H HIS A 10 5.857 3.250 -27.787 1.00 11.44 H new ATOM 0 HA HIS A 10 3.386 2.519 -29.252 1.00 4.33 H new ATOM 0 HB2 HIS A 10 3.832 1.144 -27.128 1.00 60.22 H new ATOM 0 HB3 HIS A 10 3.600 2.639 -26.242 1.00 60.22 H new ATOM 0 HD2 HIS A 10 1.514 -0.124 -27.898 1.00 5.40 H new ATOM 0 HE1 HIS A 10 -1.199 2.930 -26.764 1.00 62.31 H new ATOM 0 HE2 HIS A 10 -0.985 0.539 -27.604 1.00 64.01 H new ATOM 157 N SER A 11 4.063 5.176 -29.136 1.00 10.11 N ATOM 158 CA SER A 11 3.892 6.618 -29.107 1.00 20.40 C ATOM 159 C SER A 11 2.455 7.001 -29.453 1.00 50.32 C ATOM 160 O SER A 11 2.105 7.161 -30.624 1.00 21.00 O ATOM 161 CB SER A 11 4.871 7.275 -30.081 1.00 31.43 C ATOM 162 OG SER A 11 6.196 6.811 -29.854 1.00 72.20 O ATOM 0 H SER A 11 4.600 4.835 -29.933 1.00 10.11 H new ATOM 0 HA SER A 11 4.101 6.975 -28.098 1.00 20.40 H new ATOM 0 HB2 SER A 11 4.574 7.054 -31.106 1.00 31.43 H new ATOM 0 HB3 SER A 11 4.835 8.358 -29.965 1.00 31.43 H new ATOM 0 HG SER A 11 6.807 7.242 -30.488 1.00 72.20 H new ATOM 168 N SER A 12 1.625 7.105 -28.431 1.00 21.32 N ATOM 169 CA SER A 12 0.226 7.450 -28.607 1.00 75.21 C ATOM 170 C SER A 12 -0.109 8.719 -27.828 1.00 13.11 C ATOM 171 O SER A 12 0.771 9.324 -27.203 1.00 61.20 O ATOM 172 CB SER A 12 -0.656 6.280 -28.159 1.00 32.14 C ATOM 173 OG SER A 12 -0.214 5.749 -26.915 1.00 33.11 O ATOM 0 H SER A 12 1.900 6.954 -27.460 1.00 21.32 H new ATOM 0 HA SER A 12 0.033 7.644 -29.662 1.00 75.21 H new ATOM 0 HB2 SER A 12 -1.689 6.614 -28.068 1.00 32.14 H new ATOM 0 HB3 SER A 12 -0.640 5.498 -28.918 1.00 32.14 H new ATOM 0 HG SER A 12 0.263 4.907 -27.070 1.00 33.11 H new ATOM 179 N GLY A 13 -1.370 9.127 -27.871 1.00 42.23 N ATOM 180 CA GLY A 13 -1.782 10.328 -27.183 1.00 54.45 C ATOM 181 C GLY A 13 -2.049 11.460 -28.147 1.00 61.31 C ATOM 182 O GLY A 13 -1.135 12.209 -28.504 1.00 64.02 O ATOM 0 H GLY A 13 -2.115 8.644 -28.373 1.00 42.23 H new ATOM 0 HA2 GLY A 13 -2.682 10.124 -26.602 1.00 54.45 H new ATOM 0 HA3 GLY A 13 -1.008 10.627 -26.476 1.00 54.45 H new ATOM 186 N ARG A 14 -3.288 11.560 -28.603 1.00 33.52 N ATOM 187 CA ARG A 14 -3.683 12.641 -29.493 1.00 42.01 C ATOM 188 C ARG A 14 -3.856 13.922 -28.695 1.00 31.14 C ATOM 189 O ARG A 14 -3.099 14.881 -28.857 1.00 40.34 O ATOM 190 CB ARG A 14 -4.996 12.312 -30.208 1.00 24.35 C ATOM 191 CG ARG A 14 -5.315 13.256 -31.358 1.00 10.23 C ATOM 192 CD ARG A 14 -6.812 13.483 -31.501 1.00 61.20 C ATOM 193 NE ARG A 14 -7.261 14.652 -30.737 1.00 11.45 N ATOM 194 CZ ARG A 14 -8.365 14.688 -29.987 1.00 53.13 C ATOM 195 NH1 ARG A 14 -9.088 13.592 -29.806 1.00 62.33 N ATOM 196 NH2 ARG A 14 -8.724 15.818 -29.387 1.00 31.44 N ATOM 0 H ARG A 14 -4.037 10.907 -28.372 1.00 33.52 H new ATOM 0 HA ARG A 14 -2.901 12.769 -30.241 1.00 42.01 H new ATOM 0 HB2 ARG A 14 -4.947 11.292 -30.589 1.00 24.35 H new ATOM 0 HB3 ARG A 14 -5.812 12.344 -29.486 1.00 24.35 H new ATOM 0 HG2 ARG A 14 -4.816 14.211 -31.194 1.00 10.23 H new ATOM 0 HG3 ARG A 14 -4.919 12.845 -32.287 1.00 10.23 H new ATOM 0 HD2 ARG A 14 -7.060 13.620 -32.554 1.00 61.20 H new ATOM 0 HD3 ARG A 14 -7.348 12.598 -31.159 1.00 61.20 H new ATOM 0 HE ARG A 14 -6.690 15.496 -30.782 1.00 11.45 H new ATOM 0 HH11 ARG A 14 -8.802 12.715 -30.241 1.00 62.33 H new ATOM 0 HH12 ARG A 14 -9.930 13.626 -29.232 1.00 62.33 H new ATOM 0 HH21 ARG A 14 -8.156 16.658 -29.499 1.00 31.44 H new ATOM 0 HH22 ARG A 14 -9.567 15.846 -28.814 1.00 31.44 H new ATOM 210 N GLU A 15 -4.844 13.909 -27.808 1.00 14.22 N ATOM 211 CA GLU A 15 -5.194 15.080 -27.024 1.00 52.21 C ATOM 212 C GLU A 15 -6.226 14.711 -25.963 1.00 20.42 C ATOM 213 O GLU A 15 -7.373 14.379 -26.278 1.00 55.24 O ATOM 214 CB GLU A 15 -5.732 16.177 -27.944 1.00 30.00 C ATOM 215 CG GLU A 15 -6.181 17.434 -27.226 1.00 20.13 C ATOM 216 CD GLU A 15 -6.507 18.546 -28.193 1.00 35.42 C ATOM 217 OE1 GLU A 15 -7.378 18.346 -29.066 1.00 22.42 O ATOM 218 OE2 GLU A 15 -5.883 19.622 -28.096 1.00 51.22 O ATOM 0 H GLU A 15 -5.420 13.090 -27.615 1.00 14.22 H new ATOM 0 HA GLU A 15 -4.303 15.455 -26.520 1.00 52.21 H new ATOM 0 HB2 GLU A 15 -4.958 16.442 -28.664 1.00 30.00 H new ATOM 0 HB3 GLU A 15 -6.573 15.778 -28.512 1.00 30.00 H new ATOM 0 HG2 GLU A 15 -7.058 17.212 -26.619 1.00 20.13 H new ATOM 0 HG3 GLU A 15 -5.397 17.763 -26.545 1.00 20.13 H new ATOM 225 N ASN A 16 -5.794 14.750 -24.713 1.00 44.50 N ATOM 226 CA ASN A 16 -6.642 14.403 -23.581 1.00 50.15 C ATOM 227 C ASN A 16 -5.975 14.911 -22.310 1.00 12.24 C ATOM 228 O ASN A 16 -4.830 14.550 -22.019 1.00 60.14 O ATOM 229 CB ASN A 16 -6.839 12.881 -23.516 1.00 33.24 C ATOM 230 CG ASN A 16 -7.935 12.446 -22.554 1.00 41.13 C ATOM 231 OD1 ASN A 16 -8.219 13.111 -21.557 1.00 52.54 O ATOM 232 ND2 ASN A 16 -8.561 11.317 -22.851 1.00 61.44 N ATOM 0 H ASN A 16 -4.846 15.023 -24.453 1.00 44.50 H new ATOM 0 HA ASN A 16 -7.624 14.864 -23.691 1.00 50.15 H new ATOM 0 HB2 ASN A 16 -7.076 12.511 -24.514 1.00 33.24 H new ATOM 0 HB3 ASN A 16 -5.900 12.415 -23.218 1.00 33.24 H new ATOM 0 HD21 ASN A 16 -9.305 10.972 -22.245 1.00 61.44 H new ATOM 0 HD22 ASN A 16 -8.299 10.793 -23.686 1.00 61.44 H new ATOM 239 N LEU A 17 -6.663 15.770 -21.576 1.00 44.31 N ATOM 240 CA LEU A 17 -6.082 16.383 -20.393 1.00 44.14 C ATOM 241 C LEU A 17 -6.490 15.637 -19.132 1.00 65.31 C ATOM 242 O LEU A 17 -7.597 15.809 -18.612 1.00 64.32 O ATOM 243 CB LEU A 17 -6.481 17.857 -20.297 1.00 15.22 C ATOM 244 CG LEU A 17 -6.000 18.733 -21.460 1.00 44.22 C ATOM 245 CD1 LEU A 17 -6.471 20.167 -21.276 1.00 21.11 C ATOM 246 CD2 LEU A 17 -4.482 18.679 -21.587 1.00 32.23 C ATOM 0 H LEU A 17 -7.621 16.058 -21.777 1.00 44.31 H new ATOM 0 HA LEU A 17 -4.997 16.323 -20.484 1.00 44.14 H new ATOM 0 HB2 LEU A 17 -7.568 17.921 -20.238 1.00 15.22 H new ATOM 0 HB3 LEU A 17 -6.087 18.265 -19.366 1.00 15.22 H new ATOM 0 HG LEU A 17 -6.431 18.343 -22.382 1.00 44.22 H new ATOM 0 HD11 LEU A 17 -6.121 20.775 -22.110 1.00 21.11 H new ATOM 0 HD12 LEU A 17 -7.560 20.191 -21.242 1.00 21.11 H new ATOM 0 HD13 LEU A 17 -6.070 20.565 -20.344 1.00 21.11 H new ATOM 0 HD21 LEU A 17 -4.164 19.308 -22.418 1.00 32.23 H new ATOM 0 HD22 LEU A 17 -4.027 19.039 -20.665 1.00 32.23 H new ATOM 0 HD23 LEU A 17 -4.168 17.651 -21.769 1.00 32.23 H new ATOM 258 N TYR A 18 -5.595 14.788 -18.660 1.00 30.02 N ATOM 259 CA TYR A 18 -5.797 14.077 -17.415 1.00 73.41 C ATOM 260 C TYR A 18 -4.661 14.373 -16.445 1.00 1.11 C ATOM 261 O TYR A 18 -3.595 13.760 -16.508 1.00 65.43 O ATOM 262 CB TYR A 18 -5.950 12.564 -17.655 1.00 54.15 C ATOM 263 CG TYR A 18 -5.052 11.992 -18.741 1.00 24.24 C ATOM 264 CD1 TYR A 18 -3.780 11.506 -18.452 1.00 21.14 C ATOM 265 CD2 TYR A 18 -5.491 11.923 -20.060 1.00 35.14 C ATOM 266 CE1 TYR A 18 -2.973 10.979 -19.445 1.00 55.32 C ATOM 267 CE2 TYR A 18 -4.690 11.398 -21.057 1.00 22.42 C ATOM 268 CZ TYR A 18 -3.435 10.926 -20.745 1.00 4.34 C ATOM 269 OH TYR A 18 -2.636 10.401 -21.739 1.00 14.20 O ATOM 0 H TYR A 18 -4.714 14.574 -19.127 1.00 30.02 H new ATOM 0 HA TYR A 18 -6.726 14.429 -16.967 1.00 73.41 H new ATOM 0 HB2 TYR A 18 -5.744 12.041 -16.721 1.00 54.15 H new ATOM 0 HB3 TYR A 18 -6.988 12.356 -17.915 1.00 54.15 H new ATOM 0 HD1 TYR A 18 -3.417 11.541 -17.436 1.00 21.14 H new ATOM 0 HD2 TYR A 18 -6.477 12.287 -20.310 1.00 35.14 H new ATOM 0 HE1 TYR A 18 -1.987 10.611 -19.204 1.00 55.32 H new ATOM 0 HE2 TYR A 18 -5.047 11.358 -22.076 1.00 22.42 H new ATOM 0 HH TYR A 18 -3.112 10.437 -22.595 1.00 14.20 H new ATOM 279 N PHE A 19 -4.884 15.345 -15.573 1.00 15.24 N ATOM 280 CA PHE A 19 -3.894 15.714 -14.577 1.00 3.50 C ATOM 281 C PHE A 19 -4.131 14.904 -13.315 1.00 12.44 C ATOM 282 O PHE A 19 -3.570 13.819 -13.170 1.00 72.45 O ATOM 283 CB PHE A 19 -3.962 17.212 -14.275 1.00 12.15 C ATOM 284 CG PHE A 19 -3.892 18.076 -15.502 1.00 43.33 C ATOM 285 CD1 PHE A 19 -2.687 18.294 -16.148 1.00 24.43 C ATOM 286 CD2 PHE A 19 -5.039 18.664 -16.013 1.00 51.44 C ATOM 287 CE1 PHE A 19 -2.625 19.087 -17.278 1.00 35.43 C ATOM 288 CE2 PHE A 19 -4.983 19.459 -17.142 1.00 71.41 C ATOM 289 CZ PHE A 19 -3.776 19.667 -17.777 1.00 22.44 C ATOM 0 H PHE A 19 -5.744 15.892 -15.537 1.00 15.24 H new ATOM 0 HA PHE A 19 -2.898 15.498 -14.964 1.00 3.50 H new ATOM 0 HB2 PHE A 19 -4.889 17.425 -13.743 1.00 12.15 H new ATOM 0 HB3 PHE A 19 -3.143 17.477 -13.607 1.00 12.15 H new ATOM 0 HD1 PHE A 19 -1.786 17.839 -15.765 1.00 24.43 H new ATOM 0 HD2 PHE A 19 -5.987 18.499 -15.523 1.00 51.44 H new ATOM 0 HE1 PHE A 19 -1.678 19.253 -17.771 1.00 35.43 H new ATOM 0 HE2 PHE A 19 -5.882 19.917 -17.527 1.00 71.41 H new ATOM 0 HZ PHE A 19 -3.731 20.283 -18.663 1.00 22.44 H new ATOM 299 N GLN A 20 -4.987 15.429 -12.429 1.00 60.25 N ATOM 300 CA GLN A 20 -5.459 14.710 -11.237 1.00 41.33 C ATOM 301 C GLN A 20 -4.337 14.445 -10.228 1.00 13.30 C ATOM 302 O GLN A 20 -4.345 14.989 -9.120 1.00 21.21 O ATOM 303 CB GLN A 20 -6.124 13.393 -11.650 1.00 71.01 C ATOM 304 CG GLN A 20 -7.245 13.581 -12.664 1.00 61.12 C ATOM 305 CD GLN A 20 -7.786 12.272 -13.214 1.00 42.30 C ATOM 306 OE1 GLN A 20 -7.797 11.246 -12.531 1.00 54.34 O ATOM 307 NE2 GLN A 20 -8.243 12.300 -14.458 1.00 50.24 N ATOM 0 H GLN A 20 -5.374 16.369 -12.519 1.00 60.25 H new ATOM 0 HA GLN A 20 -6.188 15.350 -10.740 1.00 41.33 H new ATOM 0 HB2 GLN A 20 -5.369 12.728 -12.071 1.00 71.01 H new ATOM 0 HB3 GLN A 20 -6.523 12.901 -10.763 1.00 71.01 H new ATOM 0 HG2 GLN A 20 -8.059 14.134 -12.196 1.00 61.12 H new ATOM 0 HG3 GLN A 20 -6.879 14.190 -13.490 1.00 61.12 H new ATOM 0 HE21 GLN A 20 -8.217 13.169 -14.991 1.00 50.24 H new ATOM 0 HE22 GLN A 20 -8.621 11.453 -14.882 1.00 50.24 H new ATOM 316 N GLY A 21 -3.387 13.608 -10.614 1.00 42.11 N ATOM 317 CA GLY A 21 -2.287 13.250 -9.749 1.00 3.14 C ATOM 318 C GLY A 21 -1.758 11.879 -10.094 1.00 12.04 C ATOM 319 O GLY A 21 -2.487 11.050 -10.640 1.00 12.10 O ATOM 0 H GLY A 21 -3.361 13.163 -11.531 1.00 42.11 H new ATOM 0 HA2 GLY A 21 -1.489 13.987 -9.844 1.00 3.14 H new ATOM 0 HA3 GLY A 21 -2.615 13.267 -8.710 1.00 3.14 H new ATOM 323 N HIS A 22 -0.492 11.633 -9.812 1.00 44.33 N ATOM 324 CA HIS A 22 0.092 10.328 -10.078 1.00 73.42 C ATOM 325 C HIS A 22 0.341 9.605 -8.765 1.00 44.24 C ATOM 326 O HIS A 22 0.248 8.377 -8.695 1.00 64.33 O ATOM 327 CB HIS A 22 1.400 10.460 -10.872 1.00 62.10 C ATOM 328 CG HIS A 22 1.224 11.040 -12.244 1.00 34.12 C ATOM 329 ND1 HIS A 22 2.213 11.740 -12.903 1.00 44.20 N ATOM 330 CD2 HIS A 22 0.163 11.018 -13.082 1.00 2.41 C ATOM 331 CE1 HIS A 22 1.765 12.123 -14.082 1.00 22.54 C ATOM 332 NE2 HIS A 22 0.522 11.698 -14.219 1.00 65.23 N ATOM 0 H HIS A 22 0.149 12.313 -9.402 1.00 44.33 H new ATOM 0 HA HIS A 22 -0.607 9.750 -10.682 1.00 73.42 H new ATOM 0 HB2 HIS A 22 2.093 11.086 -10.310 1.00 62.10 H new ATOM 0 HB3 HIS A 22 1.860 9.476 -10.961 1.00 62.10 H new ATOM 0 HD2 HIS A 22 -0.792 10.551 -12.892 1.00 2.41 H new ATOM 0 HE1 HIS A 22 2.321 12.690 -14.814 1.00 22.54 H new ATOM 0 HE2 HIS A 22 -0.072 11.850 -15.034 1.00 65.23 H new ATOM 341 N LEU A 23 0.637 10.392 -7.730 1.00 21.03 N ATOM 342 CA LEU A 23 0.885 9.889 -6.378 1.00 11.25 C ATOM 343 C LEU A 23 2.169 9.057 -6.315 1.00 55.22 C ATOM 344 O LEU A 23 2.626 8.497 -7.312 1.00 53.24 O ATOM 345 CB LEU A 23 -0.314 9.094 -5.833 1.00 64.53 C ATOM 346 CG LEU A 23 -1.529 9.932 -5.414 1.00 25.44 C ATOM 347 CD1 LEU A 23 -2.304 10.434 -6.626 1.00 32.20 C ATOM 348 CD2 LEU A 23 -2.437 9.134 -4.493 1.00 13.13 C ATOM 0 H LEU A 23 0.712 11.406 -7.807 1.00 21.03 H new ATOM 0 HA LEU A 23 1.019 10.760 -5.736 1.00 11.25 H new ATOM 0 HB2 LEU A 23 -0.631 8.382 -6.595 1.00 64.53 H new ATOM 0 HB3 LEU A 23 0.019 8.513 -4.973 1.00 64.53 H new ATOM 0 HG LEU A 23 -1.160 10.802 -4.871 1.00 25.44 H new ATOM 0 HD11 LEU A 23 -3.158 11.024 -6.293 1.00 32.20 H new ATOM 0 HD12 LEU A 23 -1.653 11.054 -7.243 1.00 32.20 H new ATOM 0 HD13 LEU A 23 -2.656 9.584 -7.210 1.00 32.20 H new ATOM 0 HD21 LEU A 23 -3.293 9.745 -4.207 1.00 13.13 H new ATOM 0 HD22 LEU A 23 -2.786 8.241 -5.011 1.00 13.13 H new ATOM 0 HD23 LEU A 23 -1.884 8.843 -3.600 1.00 13.13 H new ATOM 360 N ARG A 24 2.770 8.989 -5.141 1.00 4.33 N ATOM 361 CA ARG A 24 4.034 8.297 -5.005 1.00 44.13 C ATOM 362 C ARG A 24 3.883 7.087 -4.111 1.00 62.01 C ATOM 363 O ARG A 24 3.269 7.160 -3.043 1.00 13.22 O ATOM 364 CB ARG A 24 5.112 9.240 -4.480 1.00 4.51 C ATOM 365 CG ARG A 24 5.323 10.444 -5.380 1.00 14.43 C ATOM 366 CD ARG A 24 5.675 10.020 -6.796 1.00 5.24 C ATOM 367 NE ARG A 24 5.252 11.013 -7.778 1.00 40.33 N ATOM 368 CZ ARG A 24 5.467 10.915 -9.088 1.00 31.45 C ATOM 369 NH1 ARG A 24 6.146 9.894 -9.588 1.00 65.53 N ATOM 370 NH2 ARG A 24 4.991 11.852 -9.894 1.00 41.43 N ATOM 0 H ARG A 24 2.408 9.399 -4.280 1.00 4.33 H new ATOM 0 HA ARG A 24 4.346 7.950 -5.990 1.00 44.13 H new ATOM 0 HB2 ARG A 24 4.837 9.581 -3.482 1.00 4.51 H new ATOM 0 HB3 ARG A 24 6.051 8.695 -4.383 1.00 4.51 H new ATOM 0 HG2 ARG A 24 4.419 11.053 -5.395 1.00 14.43 H new ATOM 0 HG3 ARG A 24 6.121 11.067 -4.976 1.00 14.43 H new ATOM 0 HD2 ARG A 24 6.752 9.868 -6.873 1.00 5.24 H new ATOM 0 HD3 ARG A 24 5.201 9.064 -7.018 1.00 5.24 H new ATOM 0 HE ARG A 24 4.758 11.838 -7.438 1.00 40.33 H new ATOM 0 HH11 ARG A 24 6.511 9.171 -8.967 1.00 65.53 H new ATOM 0 HH12 ARG A 24 6.304 9.830 -10.594 1.00 65.53 H new ATOM 0 HH21 ARG A 24 4.466 12.637 -9.509 1.00 41.43 H new ATOM 0 HH22 ARG A 24 5.149 11.788 -10.900 1.00 41.43 H new ATOM 384 N GLU A 25 4.428 5.973 -4.573 1.00 2.45 N ATOM 385 CA GLU A 25 4.308 4.705 -3.883 1.00 75.33 C ATOM 386 C GLU A 25 5.061 4.747 -2.560 1.00 5.40 C ATOM 387 O GLU A 25 6.239 5.110 -2.508 1.00 54.55 O ATOM 388 CB GLU A 25 4.838 3.589 -4.779 1.00 1.35 C ATOM 389 CG GLU A 25 4.679 2.198 -4.201 1.00 44.11 C ATOM 390 CD GLU A 25 5.172 1.135 -5.151 1.00 15.43 C ATOM 391 OE1 GLU A 25 6.337 1.222 -5.595 1.00 3.20 O ATOM 392 OE2 GLU A 25 4.390 0.224 -5.489 1.00 31.35 O ATOM 0 H GLU A 25 4.966 5.926 -5.438 1.00 2.45 H new ATOM 0 HA GLU A 25 3.259 4.510 -3.662 1.00 75.33 H new ATOM 0 HB2 GLU A 25 4.322 3.633 -5.738 1.00 1.35 H new ATOM 0 HB3 GLU A 25 5.895 3.769 -4.977 1.00 1.35 H new ATOM 0 HG2 GLU A 25 5.229 2.130 -3.262 1.00 44.11 H new ATOM 0 HG3 GLU A 25 3.629 2.019 -3.969 1.00 44.11 H new ATOM 399 N LEU A 26 4.359 4.398 -1.497 1.00 21.44 N ATOM 400 CA LEU A 26 4.903 4.478 -0.156 1.00 72.04 C ATOM 401 C LEU A 26 5.221 3.084 0.384 1.00 42.12 C ATOM 402 O LEU A 26 6.364 2.787 0.733 1.00 52.31 O ATOM 403 CB LEU A 26 3.894 5.200 0.742 1.00 24.12 C ATOM 404 CG LEU A 26 4.382 5.566 2.141 1.00 43.30 C ATOM 405 CD1 LEU A 26 5.698 6.319 2.065 1.00 25.45 C ATOM 406 CD2 LEU A 26 3.331 6.405 2.851 1.00 31.03 C ATOM 0 H LEU A 26 3.400 4.053 -1.540 1.00 21.44 H new ATOM 0 HA LEU A 26 5.837 5.039 -0.172 1.00 72.04 H new ATOM 0 HB2 LEU A 26 3.579 6.114 0.238 1.00 24.12 H new ATOM 0 HB3 LEU A 26 3.010 4.570 0.841 1.00 24.12 H new ATOM 0 HG LEU A 26 4.545 4.650 2.708 1.00 43.30 H new ATOM 0 HD11 LEU A 26 6.031 6.572 3.072 1.00 25.45 H new ATOM 0 HD12 LEU A 26 6.448 5.693 1.581 1.00 25.45 H new ATOM 0 HD13 LEU A 26 5.561 7.233 1.488 1.00 25.45 H new ATOM 0 HD21 LEU A 26 3.685 6.663 3.849 1.00 31.03 H new ATOM 0 HD22 LEU A 26 3.149 7.317 2.283 1.00 31.03 H new ATOM 0 HD23 LEU A 26 2.404 5.837 2.930 1.00 31.03 H new ATOM 418 N LEU A 27 4.209 2.228 0.439 1.00 63.55 N ATOM 419 CA LEU A 27 4.390 0.857 0.905 1.00 32.30 C ATOM 420 C LEU A 27 3.429 -0.074 0.178 1.00 42.51 C ATOM 421 O LEU A 27 2.511 0.387 -0.498 1.00 43.03 O ATOM 422 CB LEU A 27 4.197 0.769 2.431 1.00 25.43 C ATOM 423 CG LEU A 27 2.815 1.166 2.971 1.00 15.41 C ATOM 424 CD1 LEU A 27 1.854 -0.013 2.939 1.00 51.12 C ATOM 425 CD2 LEU A 27 2.940 1.701 4.387 1.00 22.14 C ATOM 0 H LEU A 27 3.253 2.458 0.167 1.00 63.55 H new ATOM 0 HA LEU A 27 5.409 0.543 0.681 1.00 32.30 H new ATOM 0 HB2 LEU A 27 4.404 -0.255 2.743 1.00 25.43 H new ATOM 0 HB3 LEU A 27 4.944 1.404 2.907 1.00 25.43 H new ATOM 0 HG LEU A 27 2.412 1.949 2.328 1.00 15.41 H new ATOM 0 HD11 LEU A 27 0.884 0.298 3.327 1.00 51.12 H new ATOM 0 HD12 LEU A 27 1.740 -0.361 1.913 1.00 51.12 H new ATOM 0 HD13 LEU A 27 2.249 -0.821 3.555 1.00 51.12 H new ATOM 0 HD21 LEU A 27 1.954 1.979 4.759 1.00 22.14 H new ATOM 0 HD22 LEU A 27 3.367 0.932 5.030 1.00 22.14 H new ATOM 0 HD23 LEU A 27 3.589 2.577 4.389 1.00 22.14 H new ATOM 437 N ARG A 28 3.638 -1.379 0.311 1.00 12.11 N ATOM 438 CA ARG A 28 2.764 -2.353 -0.331 1.00 75.13 C ATOM 439 C ARG A 28 2.648 -3.630 0.494 1.00 53.01 C ATOM 440 O ARG A 28 3.611 -4.060 1.134 1.00 44.22 O ATOM 441 CB ARG A 28 3.242 -2.654 -1.765 1.00 14.22 C ATOM 442 CG ARG A 28 4.750 -2.853 -1.924 1.00 3.43 C ATOM 443 CD ARG A 28 5.219 -4.190 -1.378 1.00 3.53 C ATOM 444 NE ARG A 28 6.647 -4.406 -1.601 1.00 14.10 N ATOM 445 CZ ARG A 28 7.478 -4.895 -0.683 1.00 3.21 C ATOM 446 NH1 ARG A 28 7.035 -5.174 0.540 1.00 13.33 N ATOM 447 NH2 ARG A 28 8.754 -5.104 -0.988 1.00 43.24 N ATOM 0 H ARG A 28 4.400 -1.785 0.854 1.00 12.11 H new ATOM 0 HA ARG A 28 1.767 -1.917 -0.392 1.00 75.13 H new ATOM 0 HB2 ARG A 28 2.735 -3.552 -2.118 1.00 14.22 H new ATOM 0 HB3 ARG A 28 2.930 -1.835 -2.414 1.00 14.22 H new ATOM 0 HG2 ARG A 28 5.014 -2.782 -2.979 1.00 3.43 H new ATOM 0 HG3 ARG A 28 5.276 -2.049 -1.409 1.00 3.43 H new ATOM 0 HD2 ARG A 28 5.008 -4.239 -0.310 1.00 3.53 H new ATOM 0 HD3 ARG A 28 4.653 -4.993 -1.851 1.00 3.53 H new ATOM 0 HE ARG A 28 7.030 -4.168 -2.516 1.00 14.10 H new ATOM 0 HH11 ARG A 28 6.056 -5.013 0.777 1.00 13.33 H new ATOM 0 HH12 ARG A 28 7.674 -5.549 1.241 1.00 13.33 H new ATOM 0 HH21 ARG A 28 9.096 -4.890 -1.925 1.00 43.24 H new ATOM 0 HH22 ARG A 28 9.392 -5.479 -0.285 1.00 43.24 H new ATOM 461 N THR A 29 1.453 -4.216 0.482 1.00 62.31 N ATOM 462 CA THR A 29 1.182 -5.466 1.182 1.00 34.01 C ATOM 463 C THR A 29 -0.231 -5.953 0.855 1.00 20.34 C ATOM 464 O THR A 29 -1.061 -5.194 0.351 1.00 52.21 O ATOM 465 CB THR A 29 1.335 -5.319 2.719 1.00 33.32 C ATOM 466 OG1 THR A 29 1.161 -6.591 3.357 1.00 24.50 O ATOM 467 CG2 THR A 29 0.330 -4.323 3.283 1.00 53.12 C ATOM 0 H THR A 29 0.646 -3.836 -0.014 1.00 62.31 H new ATOM 0 HA THR A 29 1.917 -6.195 0.841 1.00 34.01 H new ATOM 0 HB THR A 29 2.339 -4.945 2.919 1.00 33.32 H new ATOM 0 HG1 THR A 29 1.261 -6.487 4.326 1.00 24.50 H new ATOM 0 HG21 THR A 29 0.463 -4.243 4.362 1.00 53.12 H new ATOM 0 HG22 THR A 29 0.488 -3.347 2.824 1.00 53.12 H new ATOM 0 HG23 THR A 29 -0.682 -4.665 3.067 1.00 53.12 H new ATOM 475 N ASN A 30 -0.494 -7.221 1.130 1.00 13.31 N ATOM 476 CA ASN A 30 -1.818 -7.789 0.917 1.00 13.14 C ATOM 477 C ASN A 30 -2.574 -7.852 2.237 1.00 54.25 C ATOM 478 O ASN A 30 -3.752 -8.217 2.277 1.00 13.35 O ATOM 479 CB ASN A 30 -1.715 -9.190 0.296 1.00 12.33 C ATOM 480 CG ASN A 30 -0.980 -10.179 1.184 1.00 11.11 C ATOM 481 OD1 ASN A 30 0.245 -10.286 1.127 1.00 31.31 O ATOM 482 ND2 ASN A 30 -1.717 -10.919 2.000 1.00 11.44 N ATOM 0 H ASN A 30 0.192 -7.878 1.502 1.00 13.31 H new ATOM 0 HA ASN A 30 -2.364 -7.148 0.224 1.00 13.14 H new ATOM 0 HB2 ASN A 30 -2.718 -9.567 0.094 1.00 12.33 H new ATOM 0 HB3 ASN A 30 -1.202 -9.120 -0.663 1.00 12.33 H new ATOM 0 HD21 ASN A 30 -1.271 -11.605 2.609 1.00 11.44 H new ATOM 0 HD22 ASN A 30 -2.730 -10.802 2.019 1.00 11.44 H new ATOM 489 N ASP A 31 -1.890 -7.480 3.312 1.00 60.54 N ATOM 490 CA ASP A 31 -2.459 -7.547 4.654 1.00 11.21 C ATOM 491 C ASP A 31 -3.445 -6.408 4.868 1.00 23.12 C ATOM 492 O ASP A 31 -3.070 -5.237 4.828 1.00 21.52 O ATOM 493 CB ASP A 31 -1.347 -7.476 5.701 1.00 55.34 C ATOM 494 CG ASP A 31 -1.820 -7.868 7.084 1.00 75.44 C ATOM 495 OD1 ASP A 31 -2.506 -7.059 7.741 1.00 34.34 O ATOM 496 OD2 ASP A 31 -1.485 -8.985 7.528 1.00 32.14 O ATOM 0 H ASP A 31 -0.934 -7.126 3.280 1.00 60.54 H new ATOM 0 HA ASP A 31 -2.988 -8.494 4.760 1.00 11.21 H new ATOM 0 HB2 ASP A 31 -0.530 -8.132 5.402 1.00 55.34 H new ATOM 0 HB3 ASP A 31 -0.947 -6.462 5.732 1.00 55.34 H new ATOM 501 N ALA A 32 -4.701 -6.755 5.102 1.00 64.11 N ATOM 502 CA ALA A 32 -5.755 -5.762 5.256 1.00 13.53 C ATOM 503 C ALA A 32 -5.664 -5.065 6.607 1.00 13.02 C ATOM 504 O ALA A 32 -5.881 -3.859 6.706 1.00 50.40 O ATOM 505 CB ALA A 32 -7.119 -6.414 5.090 1.00 10.52 C ATOM 0 H ALA A 32 -5.017 -7.721 5.190 1.00 64.11 H new ATOM 0 HA ALA A 32 -5.624 -5.008 4.480 1.00 13.53 H new ATOM 0 HB1 ALA A 32 -7.899 -5.661 5.207 1.00 10.52 H new ATOM 0 HB2 ALA A 32 -7.191 -6.859 4.098 1.00 10.52 H new ATOM 0 HB3 ALA A 32 -7.246 -7.189 5.846 1.00 10.52 H new ATOM 511 N VAL A 33 -5.325 -5.828 7.639 1.00 4.54 N ATOM 512 CA VAL A 33 -5.255 -5.297 8.995 1.00 63.53 C ATOM 513 C VAL A 33 -4.174 -4.227 9.093 1.00 33.42 C ATOM 514 O VAL A 33 -4.398 -3.144 9.637 1.00 2.04 O ATOM 515 CB VAL A 33 -4.963 -6.413 10.018 1.00 33.41 C ATOM 516 CG1 VAL A 33 -4.982 -5.863 11.438 1.00 12.21 C ATOM 517 CG2 VAL A 33 -5.963 -7.550 9.869 1.00 54.12 C ATOM 0 H VAL A 33 -5.094 -6.819 7.562 1.00 4.54 H new ATOM 0 HA VAL A 33 -6.225 -4.857 9.226 1.00 63.53 H new ATOM 0 HB VAL A 33 -3.966 -6.805 9.819 1.00 33.41 H new ATOM 0 HG11 VAL A 33 -4.774 -6.668 12.143 1.00 12.21 H new ATOM 0 HG12 VAL A 33 -4.223 -5.087 11.538 1.00 12.21 H new ATOM 0 HG13 VAL A 33 -5.963 -5.439 11.651 1.00 12.21 H new ATOM 0 HG21 VAL A 33 -5.741 -8.328 10.599 1.00 54.12 H new ATOM 0 HG22 VAL A 33 -6.971 -7.172 10.037 1.00 54.12 H new ATOM 0 HG23 VAL A 33 -5.894 -7.966 8.864 1.00 54.12 H new ATOM 527 N LEU A 34 -3.011 -4.534 8.541 1.00 14.42 N ATOM 528 CA LEU A 34 -1.888 -3.608 8.542 1.00 34.42 C ATOM 529 C LEU A 34 -2.246 -2.328 7.786 1.00 70.45 C ATOM 530 O LEU A 34 -1.905 -1.222 8.213 1.00 0.42 O ATOM 531 CB LEU A 34 -0.668 -4.273 7.902 1.00 11.12 C ATOM 532 CG LEU A 34 0.635 -3.483 7.993 1.00 42.21 C ATOM 533 CD1 LEU A 34 1.107 -3.389 9.437 1.00 53.54 C ATOM 534 CD2 LEU A 34 1.701 -4.127 7.119 1.00 40.34 C ATOM 0 H LEU A 34 -2.819 -5.425 8.083 1.00 14.42 H new ATOM 0 HA LEU A 34 -1.653 -3.344 9.573 1.00 34.42 H new ATOM 0 HB2 LEU A 34 -0.517 -5.245 8.373 1.00 11.12 H new ATOM 0 HB3 LEU A 34 -0.887 -4.459 6.851 1.00 11.12 H new ATOM 0 HG LEU A 34 0.454 -2.471 7.631 1.00 42.21 H new ATOM 0 HD11 LEU A 34 2.037 -2.822 9.480 1.00 53.54 H new ATOM 0 HD12 LEU A 34 0.348 -2.886 10.036 1.00 53.54 H new ATOM 0 HD13 LEU A 34 1.275 -4.391 9.831 1.00 53.54 H new ATOM 0 HD21 LEU A 34 2.626 -3.555 7.192 1.00 40.34 H new ATOM 0 HD22 LEU A 34 1.879 -5.149 7.455 1.00 40.34 H new ATOM 0 HD23 LEU A 34 1.363 -4.140 6.083 1.00 40.34 H new ATOM 546 N LEU A 35 -2.959 -2.488 6.677 1.00 74.42 N ATOM 547 CA LEU A 35 -3.341 -1.362 5.834 1.00 15.30 C ATOM 548 C LEU A 35 -4.423 -0.510 6.494 1.00 13.42 C ATOM 549 O LEU A 35 -4.549 0.680 6.201 1.00 53.32 O ATOM 550 CB LEU A 35 -3.804 -1.861 4.466 1.00 74.43 C ATOM 551 CG LEU A 35 -2.688 -2.413 3.578 1.00 75.24 C ATOM 552 CD1 LEU A 35 -3.268 -3.004 2.308 1.00 22.21 C ATOM 553 CD2 LEU A 35 -1.684 -1.320 3.247 1.00 61.40 C ATOM 0 H LEU A 35 -3.286 -3.393 6.339 1.00 74.42 H new ATOM 0 HA LEU A 35 -2.464 -0.729 5.699 1.00 15.30 H new ATOM 0 HB2 LEU A 35 -4.553 -2.640 4.612 1.00 74.43 H new ATOM 0 HB3 LEU A 35 -4.295 -1.041 3.942 1.00 74.43 H new ATOM 0 HG LEU A 35 -2.170 -3.203 4.122 1.00 75.24 H new ATOM 0 HD11 LEU A 35 -2.462 -3.393 1.686 1.00 22.21 H new ATOM 0 HD12 LEU A 35 -3.952 -3.813 2.563 1.00 22.21 H new ATOM 0 HD13 LEU A 35 -3.808 -2.231 1.761 1.00 22.21 H new ATOM 0 HD21 LEU A 35 -0.896 -1.729 2.614 1.00 61.40 H new ATOM 0 HD22 LEU A 35 -2.188 -0.510 2.720 1.00 61.40 H new ATOM 0 HD23 LEU A 35 -1.247 -0.936 4.169 1.00 61.40 H new ATOM 565 N SER A 36 -5.194 -1.108 7.392 1.00 53.32 N ATOM 566 CA SER A 36 -6.204 -0.363 8.127 1.00 43.32 C ATOM 567 C SER A 36 -5.548 0.501 9.201 1.00 33.51 C ATOM 568 O SER A 36 -6.076 1.550 9.582 1.00 23.14 O ATOM 569 CB SER A 36 -7.216 -1.318 8.754 1.00 15.25 C ATOM 570 OG SER A 36 -7.852 -2.105 7.761 1.00 35.31 O ATOM 0 H SER A 36 -5.140 -2.099 7.627 1.00 53.32 H new ATOM 0 HA SER A 36 -6.731 0.290 7.431 1.00 43.32 H new ATOM 0 HB2 SER A 36 -6.714 -1.967 9.471 1.00 15.25 H new ATOM 0 HB3 SER A 36 -7.964 -0.750 9.307 1.00 15.25 H new ATOM 0 HG SER A 36 -7.206 -2.736 7.381 1.00 35.31 H new ATOM 576 N ALA A 37 -4.390 0.063 9.681 1.00 71.41 N ATOM 577 CA ALA A 37 -3.641 0.825 10.667 1.00 23.15 C ATOM 578 C ALA A 37 -2.926 1.999 10.007 1.00 10.34 C ATOM 579 O ALA A 37 -3.090 3.146 10.419 1.00 32.02 O ATOM 580 CB ALA A 37 -2.644 -0.067 11.388 1.00 51.50 C ATOM 0 H ALA A 37 -3.952 -0.815 9.403 1.00 71.41 H new ATOM 0 HA ALA A 37 -4.344 1.218 11.401 1.00 23.15 H new ATOM 0 HB1 ALA A 37 -2.093 0.522 12.122 1.00 51.50 H new ATOM 0 HB2 ALA A 37 -3.176 -0.872 11.894 1.00 51.50 H new ATOM 0 HB3 ALA A 37 -1.946 -0.491 10.666 1.00 51.50 H new ATOM 586 N VAL A 38 -2.143 1.708 8.970 1.00 43.03 N ATOM 587 CA VAL A 38 -1.404 2.745 8.251 1.00 32.42 C ATOM 588 C VAL A 38 -2.357 3.716 7.548 1.00 64.32 C ATOM 589 O VAL A 38 -2.094 4.918 7.472 1.00 14.32 O ATOM 590 CB VAL A 38 -0.425 2.135 7.220 1.00 65.44 C ATOM 591 CG1 VAL A 38 -1.155 1.271 6.201 1.00 63.41 C ATOM 592 CG2 VAL A 38 0.363 3.228 6.522 1.00 22.50 C ATOM 0 H VAL A 38 -2.004 0.764 8.609 1.00 43.03 H new ATOM 0 HA VAL A 38 -0.825 3.294 8.993 1.00 32.42 H new ATOM 0 HB VAL A 38 0.270 1.494 7.762 1.00 65.44 H new ATOM 0 HG11 VAL A 38 -0.437 0.859 5.492 1.00 63.41 H new ATOM 0 HG12 VAL A 38 -1.667 0.457 6.714 1.00 63.41 H new ATOM 0 HG13 VAL A 38 -1.885 1.878 5.666 1.00 63.41 H new ATOM 0 HG21 VAL A 38 1.046 2.780 5.801 1.00 22.50 H new ATOM 0 HG22 VAL A 38 -0.324 3.897 6.004 1.00 22.50 H new ATOM 0 HG23 VAL A 38 0.933 3.793 7.259 1.00 22.50 H new ATOM 602 N GLY A 39 -3.471 3.188 7.056 1.00 5.33 N ATOM 603 CA GLY A 39 -4.454 4.013 6.382 1.00 21.51 C ATOM 604 C GLY A 39 -5.010 5.095 7.282 1.00 64.44 C ATOM 605 O GLY A 39 -5.212 6.226 6.845 1.00 31.54 O ATOM 0 H GLY A 39 -3.711 2.198 7.113 1.00 5.33 H new ATOM 0 HA2 GLY A 39 -3.999 4.472 5.504 1.00 21.51 H new ATOM 0 HA3 GLY A 39 -5.270 3.384 6.026 1.00 21.51 H new ATOM 609 N ALA A 40 -5.230 4.751 8.548 1.00 65.20 N ATOM 610 CA ALA A 40 -5.763 5.695 9.521 1.00 33.11 C ATOM 611 C ALA A 40 -4.786 6.838 9.770 1.00 2.30 C ATOM 612 O ALA A 40 -5.191 7.961 10.074 1.00 33.13 O ATOM 613 CB ALA A 40 -6.090 4.986 10.827 1.00 12.15 C ATOM 0 H ALA A 40 -5.046 3.821 8.924 1.00 65.20 H new ATOM 0 HA ALA A 40 -6.681 6.117 9.111 1.00 33.11 H new ATOM 0 HB1 ALA A 40 -6.487 5.706 11.542 1.00 12.15 H new ATOM 0 HB2 ALA A 40 -6.833 4.210 10.643 1.00 12.15 H new ATOM 0 HB3 ALA A 40 -5.185 4.534 11.232 1.00 12.15 H new ATOM 619 N LEU A 41 -3.499 6.547 9.632 1.00 44.44 N ATOM 620 CA LEU A 41 -2.460 7.554 9.803 1.00 32.21 C ATOM 621 C LEU A 41 -2.514 8.555 8.660 1.00 11.24 C ATOM 622 O LEU A 41 -2.540 9.766 8.877 1.00 51.21 O ATOM 623 CB LEU A 41 -1.078 6.895 9.854 1.00 30.31 C ATOM 624 CG LEU A 41 -0.875 5.888 10.983 1.00 33.34 C ATOM 625 CD1 LEU A 41 0.486 5.223 10.864 1.00 63.21 C ATOM 626 CD2 LEU A 41 -1.022 6.568 12.335 1.00 55.40 C ATOM 0 H LEU A 41 -3.149 5.617 9.401 1.00 44.44 H new ATOM 0 HA LEU A 41 -2.633 8.075 10.744 1.00 32.21 H new ATOM 0 HB2 LEU A 41 -0.899 6.391 8.904 1.00 30.31 H new ATOM 0 HB3 LEU A 41 -0.324 7.677 9.947 1.00 30.31 H new ATOM 0 HG LEU A 41 -1.642 5.118 10.901 1.00 33.34 H new ATOM 0 HD11 LEU A 41 0.614 4.508 11.677 1.00 63.21 H new ATOM 0 HD12 LEU A 41 0.554 4.702 9.909 1.00 63.21 H new ATOM 0 HD13 LEU A 41 1.267 5.981 10.921 1.00 63.21 H new ATOM 0 HD21 LEU A 41 -0.874 5.836 13.129 1.00 55.40 H new ATOM 0 HD22 LEU A 41 -0.277 7.359 12.428 1.00 55.40 H new ATOM 0 HD23 LEU A 41 -2.020 6.998 12.419 1.00 55.40 H new ATOM 638 N LEU A 42 -2.563 8.033 7.440 1.00 54.04 N ATOM 639 CA LEU A 42 -2.634 8.867 6.246 1.00 12.15 C ATOM 640 C LEU A 42 -3.957 9.625 6.199 1.00 12.43 C ATOM 641 O LEU A 42 -4.019 10.766 5.733 1.00 4.41 O ATOM 642 CB LEU A 42 -2.478 8.001 4.998 1.00 72.12 C ATOM 643 CG LEU A 42 -1.192 7.176 4.945 1.00 74.11 C ATOM 644 CD1 LEU A 42 -1.194 6.253 3.739 1.00 51.24 C ATOM 645 CD2 LEU A 42 0.026 8.087 4.915 1.00 2.24 C ATOM 0 H LEU A 42 -2.555 7.031 7.251 1.00 54.04 H new ATOM 0 HA LEU A 42 -1.823 9.594 6.279 1.00 12.15 H new ATOM 0 HB2 LEU A 42 -3.330 7.324 4.934 1.00 72.12 H new ATOM 0 HB3 LEU A 42 -2.516 8.645 4.119 1.00 72.12 H new ATOM 0 HG LEU A 42 -1.144 6.563 5.845 1.00 74.11 H new ATOM 0 HD11 LEU A 42 -0.270 5.676 3.721 1.00 51.24 H new ATOM 0 HD12 LEU A 42 -2.045 5.574 3.802 1.00 51.24 H new ATOM 0 HD13 LEU A 42 -1.269 6.846 2.827 1.00 51.24 H new ATOM 0 HD21 LEU A 42 0.932 7.482 4.877 1.00 2.24 H new ATOM 0 HD22 LEU A 42 -0.020 8.727 4.034 1.00 2.24 H new ATOM 0 HD23 LEU A 42 0.040 8.706 5.812 1.00 2.24 H new ATOM 657 N ASP A 43 -5.011 8.977 6.681 1.00 40.43 N ATOM 658 CA ASP A 43 -6.326 9.599 6.779 1.00 51.05 C ATOM 659 C ASP A 43 -6.310 10.736 7.789 1.00 73.11 C ATOM 660 O ASP A 43 -6.698 11.862 7.481 1.00 53.23 O ATOM 661 CB ASP A 43 -7.381 8.570 7.200 1.00 72.32 C ATOM 662 CG ASP A 43 -8.265 8.118 6.055 1.00 52.32 C ATOM 663 OD1 ASP A 43 -9.235 8.837 5.731 1.00 71.00 O ATOM 664 OD2 ASP A 43 -8.006 7.038 5.480 1.00 2.45 O ATOM 0 H ASP A 43 -4.979 8.013 7.013 1.00 40.43 H new ATOM 0 HA ASP A 43 -6.579 9.995 5.795 1.00 51.05 H new ATOM 0 HB2 ASP A 43 -6.881 7.702 7.629 1.00 72.32 H new ATOM 0 HB3 ASP A 43 -8.005 8.999 7.984 1.00 72.32 H new ATOM 669 N GLY A 44 -5.834 10.432 8.990 1.00 24.35 N ATOM 670 CA GLY A 44 -5.888 11.379 10.086 1.00 65.22 C ATOM 671 C GLY A 44 -4.999 12.592 9.896 1.00 15.21 C ATOM 672 O GLY A 44 -5.284 13.659 10.438 1.00 71.23 O ATOM 0 H GLY A 44 -5.407 9.536 9.225 1.00 24.35 H new ATOM 0 HA2 GLY A 44 -6.918 11.712 10.214 1.00 65.22 H new ATOM 0 HA3 GLY A 44 -5.600 10.871 11.006 1.00 65.22 H new ATOM 676 N ALA A 45 -3.928 12.435 9.131 1.00 74.25 N ATOM 677 CA ALA A 45 -2.979 13.522 8.922 1.00 74.43 C ATOM 678 C ALA A 45 -3.310 14.332 7.670 1.00 63.12 C ATOM 679 O ALA A 45 -2.518 15.178 7.247 1.00 23.31 O ATOM 680 CB ALA A 45 -1.564 12.976 8.841 1.00 32.34 C ATOM 0 H ALA A 45 -3.694 11.569 8.646 1.00 74.25 H new ATOM 0 HA ALA A 45 -3.054 14.195 9.776 1.00 74.43 H new ATOM 0 HB1 ALA A 45 -0.865 13.798 8.685 1.00 32.34 H new ATOM 0 HB2 ALA A 45 -1.318 12.463 9.771 1.00 32.34 H new ATOM 0 HB3 ALA A 45 -1.491 12.275 8.009 1.00 32.34 H new ATOM 686 N ASP A 46 -4.479 14.061 7.085 1.00 71.40 N ATOM 687 CA ASP A 46 -4.962 14.787 5.903 1.00 73.51 C ATOM 688 C ASP A 46 -4.002 14.605 4.726 1.00 22.22 C ATOM 689 O ASP A 46 -3.890 15.456 3.844 1.00 10.10 O ATOM 690 CB ASP A 46 -5.156 16.278 6.235 1.00 22.32 C ATOM 691 CG ASP A 46 -5.870 17.048 5.141 1.00 33.13 C ATOM 692 OD1 ASP A 46 -6.990 16.647 4.767 1.00 22.22 O ATOM 693 OD2 ASP A 46 -5.335 18.078 4.678 1.00 15.42 O ATOM 0 H ASP A 46 -5.117 13.336 7.414 1.00 71.40 H new ATOM 0 HA ASP A 46 -5.928 14.374 5.611 1.00 73.51 H new ATOM 0 HB2 ASP A 46 -5.724 16.366 7.161 1.00 22.32 H new ATOM 0 HB3 ASP A 46 -4.182 16.733 6.414 1.00 22.32 H new ATOM 698 N ILE A 47 -3.321 13.468 4.706 1.00 30.14 N ATOM 699 CA ILE A 47 -2.366 13.179 3.648 1.00 4.52 C ATOM 700 C ILE A 47 -3.080 12.598 2.443 1.00 30.00 C ATOM 701 O ILE A 47 -2.888 13.035 1.308 1.00 52.11 O ATOM 702 CB ILE A 47 -1.273 12.194 4.124 1.00 1.25 C ATOM 703 CG1 ILE A 47 -0.573 12.745 5.370 1.00 64.35 C ATOM 704 CG2 ILE A 47 -0.263 11.936 3.011 1.00 14.02 C ATOM 705 CD1 ILE A 47 0.426 11.788 5.982 1.00 65.21 C ATOM 0 H ILE A 47 -3.412 12.734 5.408 1.00 30.14 H new ATOM 0 HA ILE A 47 -1.885 14.118 3.373 1.00 4.52 H new ATOM 0 HB ILE A 47 -1.746 11.246 4.381 1.00 1.25 H new ATOM 0 HG12 ILE A 47 -0.062 13.671 5.108 1.00 64.35 H new ATOM 0 HG13 ILE A 47 -1.326 12.997 6.117 1.00 64.35 H new ATOM 0 HG21 ILE A 47 0.498 11.241 3.365 1.00 14.02 H new ATOM 0 HG22 ILE A 47 -0.774 11.507 2.149 1.00 14.02 H new ATOM 0 HG23 ILE A 47 0.209 12.875 2.723 1.00 14.02 H new ATOM 0 HD11 ILE A 47 0.880 12.248 6.859 1.00 65.21 H new ATOM 0 HD12 ILE A 47 -0.083 10.870 6.276 1.00 65.21 H new ATOM 0 HD13 ILE A 47 1.201 11.555 5.252 1.00 65.21 H new ATOM 717 N GLY A 48 -3.929 11.632 2.711 1.00 1.00 N ATOM 718 CA GLY A 48 -4.627 10.939 1.652 1.00 61.54 C ATOM 719 C GLY A 48 -3.902 9.677 1.240 1.00 53.41 C ATOM 720 O GLY A 48 -2.788 9.420 1.701 1.00 73.44 O ATOM 0 H GLY A 48 -4.153 11.309 3.652 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.635 10.689 1.983 1.00 61.54 H new ATOM 0 HA3 GLY A 48 -4.729 11.599 0.790 1.00 61.54 H new ATOM 724 N HIS A 49 -4.523 8.882 0.381 1.00 62.44 N ATOM 725 CA HIS A 49 -3.931 7.621 -0.059 1.00 53.24 C ATOM 726 C HIS A 49 -4.701 7.024 -1.230 1.00 15.22 C ATOM 727 O HIS A 49 -5.928 7.098 -1.284 1.00 53.12 O ATOM 728 CB HIS A 49 -3.876 6.598 1.090 1.00 73.24 C ATOM 729 CG HIS A 49 -5.170 6.413 1.834 1.00 34.10 C ATOM 730 ND1 HIS A 49 -6.388 6.231 1.218 1.00 63.15 N ATOM 731 CD2 HIS A 49 -5.421 6.391 3.162 1.00 62.24 C ATOM 732 CE1 HIS A 49 -7.328 6.109 2.134 1.00 4.41 C ATOM 733 NE2 HIS A 49 -6.768 6.202 3.326 1.00 15.14 N ATOM 0 H HIS A 49 -5.436 9.085 -0.026 1.00 62.44 H new ATOM 0 HA HIS A 49 -2.915 7.845 -0.383 1.00 53.24 H new ATOM 0 HB2 HIS A 49 -3.565 5.635 0.685 1.00 73.24 H new ATOM 0 HB3 HIS A 49 -3.108 6.909 1.798 1.00 73.24 H new ATOM 0 HD2 HIS A 49 -4.692 6.502 3.951 1.00 62.24 H new ATOM 0 HE1 HIS A 49 -8.380 5.958 1.942 1.00 4.41 H new ATOM 0 HE2 HIS A 49 -7.256 6.143 4.219 1.00 15.14 H new ATOM 742 N LEU A 50 -3.974 6.435 -2.162 1.00 35.52 N ATOM 743 CA LEU A 50 -4.587 5.683 -3.240 1.00 65.12 C ATOM 744 C LEU A 50 -4.568 4.206 -2.866 1.00 61.21 C ATOM 745 O LEU A 50 -3.525 3.554 -2.927 1.00 11.12 O ATOM 746 CB LEU A 50 -3.841 5.930 -4.564 1.00 42.33 C ATOM 747 CG LEU A 50 -4.610 5.594 -5.856 1.00 50.45 C ATOM 748 CD1 LEU A 50 -4.771 4.090 -6.035 1.00 24.21 C ATOM 749 CD2 LEU A 50 -5.970 6.276 -5.856 1.00 74.23 C ATOM 0 H LEU A 50 -2.955 6.464 -2.193 1.00 35.52 H new ATOM 0 HA LEU A 50 -5.617 6.008 -3.384 1.00 65.12 H new ATOM 0 HB2 LEU A 50 -3.551 6.980 -4.602 1.00 42.33 H new ATOM 0 HB3 LEU A 50 -2.921 5.346 -4.552 1.00 42.33 H new ATOM 0 HG LEU A 50 -4.026 5.968 -6.697 1.00 50.45 H new ATOM 0 HD11 LEU A 50 -5.318 3.890 -6.956 1.00 24.21 H new ATOM 0 HD12 LEU A 50 -3.788 3.623 -6.088 1.00 24.21 H new ATOM 0 HD13 LEU A 50 -5.323 3.680 -5.189 1.00 24.21 H new ATOM 0 HD21 LEU A 50 -6.501 6.029 -6.775 1.00 74.23 H new ATOM 0 HD22 LEU A 50 -6.549 5.933 -4.999 1.00 74.23 H new ATOM 0 HD23 LEU A 50 -5.835 7.356 -5.794 1.00 74.23 H new ATOM 761 N VAL A 51 -5.713 3.703 -2.432 1.00 12.30 N ATOM 762 CA VAL A 51 -5.841 2.312 -2.032 1.00 13.24 C ATOM 763 C VAL A 51 -7.065 1.680 -2.685 1.00 64.13 C ATOM 764 O VAL A 51 -7.961 2.388 -3.157 1.00 61.31 O ATOM 765 CB VAL A 51 -5.936 2.157 -0.493 1.00 61.20 C ATOM 766 CG1 VAL A 51 -4.615 2.522 0.171 1.00 1.03 C ATOM 767 CG2 VAL A 51 -7.065 3.012 0.066 1.00 13.04 C ATOM 0 H VAL A 51 -6.574 4.244 -2.348 1.00 12.30 H new ATOM 0 HA VAL A 51 -4.940 1.798 -2.368 1.00 13.24 H new ATOM 0 HB VAL A 51 -6.153 1.112 -0.273 1.00 61.20 H new ATOM 0 HG11 VAL A 51 -4.706 2.405 1.251 1.00 1.03 H new ATOM 0 HG12 VAL A 51 -3.828 1.865 -0.200 1.00 1.03 H new ATOM 0 HG13 VAL A 51 -4.364 3.557 -0.062 1.00 1.03 H new ATOM 0 HG21 VAL A 51 -7.114 2.888 1.148 1.00 13.04 H new ATOM 0 HG22 VAL A 51 -6.880 4.060 -0.171 1.00 13.04 H new ATOM 0 HG23 VAL A 51 -8.011 2.701 -0.378 1.00 13.04 H new ATOM 777 N LEU A 52 -7.084 0.348 -2.711 1.00 4.11 N ATOM 778 CA LEU A 52 -8.179 -0.423 -3.307 1.00 71.22 C ATOM 779 C LEU A 52 -8.211 -0.268 -4.829 1.00 74.23 C ATOM 780 O LEU A 52 -7.501 0.558 -5.401 1.00 22.31 O ATOM 781 CB LEU A 52 -9.534 -0.026 -2.704 1.00 53.33 C ATOM 782 CG LEU A 52 -9.702 -0.337 -1.216 1.00 42.24 C ATOM 783 CD1 LEU A 52 -11.046 0.164 -0.711 1.00 74.22 C ATOM 784 CD2 LEU A 52 -9.570 -1.832 -0.971 1.00 22.34 C ATOM 0 H LEU A 52 -6.340 -0.230 -2.319 1.00 4.11 H new ATOM 0 HA LEU A 52 -7.994 -1.472 -3.076 1.00 71.22 H new ATOM 0 HB2 LEU A 52 -9.681 1.044 -2.854 1.00 53.33 H new ATOM 0 HB3 LEU A 52 -10.323 -0.536 -3.257 1.00 53.33 H new ATOM 0 HG LEU A 52 -8.915 0.179 -0.666 1.00 42.24 H new ATOM 0 HD11 LEU A 52 -11.145 -0.067 0.350 1.00 74.22 H new ATOM 0 HD12 LEU A 52 -11.110 1.243 -0.855 1.00 74.22 H new ATOM 0 HD13 LEU A 52 -11.848 -0.324 -1.265 1.00 74.22 H new ATOM 0 HD21 LEU A 52 -9.692 -2.039 0.092 1.00 22.34 H new ATOM 0 HD22 LEU A 52 -10.338 -2.362 -1.534 1.00 22.34 H new ATOM 0 HD23 LEU A 52 -8.585 -2.168 -1.295 1.00 22.34 H new ATOM 796 N ASP A 53 -9.044 -1.077 -5.475 1.00 71.41 N ATOM 797 CA ASP A 53 -9.148 -1.072 -6.930 1.00 5.41 C ATOM 798 C ASP A 53 -10.330 -1.920 -7.384 1.00 44.42 C ATOM 799 O ASP A 53 -11.103 -1.507 -8.246 1.00 15.14 O ATOM 800 CB ASP A 53 -7.857 -1.603 -7.570 1.00 24.12 C ATOM 801 CG ASP A 53 -7.928 -1.654 -9.085 1.00 33.21 C ATOM 802 OD1 ASP A 53 -7.582 -0.644 -9.738 1.00 74.23 O ATOM 803 OD2 ASP A 53 -8.324 -2.707 -9.629 1.00 15.22 O ATOM 0 H ASP A 53 -9.659 -1.747 -5.012 1.00 71.41 H new ATOM 0 HA ASP A 53 -9.303 -0.042 -7.252 1.00 5.41 H new ATOM 0 HB2 ASP A 53 -7.022 -0.969 -7.271 1.00 24.12 H new ATOM 0 HB3 ASP A 53 -7.652 -2.603 -7.187 1.00 24.12 H new ATOM 808 N GLN A 54 -10.459 -3.112 -6.804 1.00 22.23 N ATOM 809 CA GLN A 54 -11.528 -4.038 -7.178 1.00 21.55 C ATOM 810 C GLN A 54 -12.904 -3.404 -6.991 1.00 63.24 C ATOM 811 O GLN A 54 -13.709 -3.383 -7.924 1.00 51.44 O ATOM 812 CB GLN A 54 -11.433 -5.327 -6.360 1.00 71.30 C ATOM 813 CG GLN A 54 -12.434 -6.392 -6.785 1.00 41.52 C ATOM 814 CD GLN A 54 -12.280 -7.684 -6.002 1.00 32.03 C ATOM 815 OE1 GLN A 54 -11.508 -8.564 -6.385 1.00 34.04 O ATOM 816 NE2 GLN A 54 -13.028 -7.818 -4.916 1.00 14.33 N ATOM 0 H GLN A 54 -9.837 -3.460 -6.074 1.00 22.23 H new ATOM 0 HA GLN A 54 -11.402 -4.276 -8.234 1.00 21.55 H new ATOM 0 HB2 GLN A 54 -10.425 -5.731 -6.450 1.00 71.30 H new ATOM 0 HB3 GLN A 54 -11.590 -5.092 -5.307 1.00 71.30 H new ATOM 0 HG2 GLN A 54 -13.446 -6.009 -6.651 1.00 41.52 H new ATOM 0 HG3 GLN A 54 -12.310 -6.599 -7.848 1.00 41.52 H new ATOM 0 HE21 GLN A 54 -13.655 -7.065 -4.633 1.00 14.33 H new ATOM 0 HE22 GLN A 54 -12.977 -8.674 -4.364 1.00 14.33 H new ATOM 825 N ASN A 55 -13.163 -2.918 -5.771 1.00 72.42 N ATOM 826 CA ASN A 55 -14.419 -2.233 -5.420 1.00 42.24 C ATOM 827 C ASN A 55 -15.601 -3.210 -5.338 1.00 23.41 C ATOM 828 O ASN A 55 -16.438 -3.103 -4.444 1.00 63.35 O ATOM 829 CB ASN A 55 -14.721 -1.100 -6.411 1.00 74.52 C ATOM 830 CG ASN A 55 -15.940 -0.274 -6.028 1.00 10.31 C ATOM 831 OD1 ASN A 55 -16.653 0.229 -6.897 1.00 23.12 O ATOM 832 ND2 ASN A 55 -16.183 -0.104 -4.736 1.00 62.01 N ATOM 0 H ASN A 55 -12.506 -2.988 -4.994 1.00 72.42 H new ATOM 0 HA ASN A 55 -14.283 -1.800 -4.429 1.00 42.24 H new ATOM 0 HB2 ASN A 55 -13.853 -0.444 -6.478 1.00 74.52 H new ATOM 0 HB3 ASN A 55 -14.876 -1.526 -7.402 1.00 74.52 H new ATOM 0 HD21 ASN A 55 -16.980 0.457 -4.437 1.00 62.01 H new ATOM 0 HD22 ASN A 55 -15.573 -0.535 -4.041 1.00 62.01 H new ATOM 839 N MET A 56 -15.661 -4.155 -6.267 1.00 51.15 N ATOM 840 CA MET A 56 -16.717 -5.162 -6.288 1.00 4.41 C ATOM 841 C MET A 56 -16.503 -6.193 -5.183 1.00 75.03 C ATOM 842 O MET A 56 -15.442 -6.233 -4.551 1.00 61.11 O ATOM 843 CB MET A 56 -16.752 -5.872 -7.646 1.00 73.54 C ATOM 844 CG MET A 56 -16.951 -4.938 -8.830 1.00 24.31 C ATOM 845 SD MET A 56 -17.034 -5.824 -10.403 1.00 33.44 S ATOM 846 CE MET A 56 -18.489 -6.834 -10.140 1.00 34.42 C ATOM 0 H MET A 56 -14.984 -4.246 -7.024 1.00 51.15 H new ATOM 0 HA MET A 56 -17.667 -4.655 -6.121 1.00 4.41 H new ATOM 0 HB2 MET A 56 -15.819 -6.420 -7.782 1.00 73.54 H new ATOM 0 HB3 MET A 56 -17.556 -6.608 -7.638 1.00 73.54 H new ATOM 0 HG2 MET A 56 -17.869 -4.368 -8.689 1.00 24.31 H new ATOM 0 HG3 MET A 56 -16.132 -4.220 -8.864 1.00 24.31 H new ATOM 0 HE1 MET A 56 -18.883 -7.163 -11.102 1.00 34.42 H new ATOM 0 HE2 MET A 56 -18.224 -7.705 -9.540 1.00 34.42 H new ATOM 0 HE3 MET A 56 -19.247 -6.251 -9.618 1.00 34.42 H new ATOM 856 N SER A 57 -17.515 -7.018 -4.953 1.00 64.44 N ATOM 857 CA SER A 57 -17.420 -8.103 -3.990 1.00 60.04 C ATOM 858 C SER A 57 -16.583 -9.243 -4.561 1.00 4.42 C ATOM 859 O SER A 57 -16.334 -9.293 -5.766 1.00 24.04 O ATOM 860 CB SER A 57 -18.825 -8.591 -3.628 1.00 32.42 C ATOM 861 OG SER A 57 -19.663 -8.629 -4.776 1.00 40.44 O ATOM 0 H SER A 57 -18.417 -6.954 -5.425 1.00 64.44 H new ATOM 0 HA SER A 57 -16.929 -7.742 -3.086 1.00 60.04 H new ATOM 0 HB2 SER A 57 -18.765 -9.585 -3.184 1.00 32.42 H new ATOM 0 HB3 SER A 57 -19.261 -7.932 -2.877 1.00 32.42 H new ATOM 0 HG SER A 57 -20.554 -8.945 -4.520 1.00 40.44 H new ATOM 867 N ILE A 58 -16.138 -10.150 -3.703 1.00 32.43 N ATOM 868 CA ILE A 58 -15.343 -11.280 -4.157 1.00 34.41 C ATOM 869 C ILE A 58 -16.225 -12.294 -4.888 1.00 74.53 C ATOM 870 O ILE A 58 -17.007 -13.025 -4.278 1.00 3.10 O ATOM 871 CB ILE A 58 -14.568 -11.953 -2.993 1.00 54.43 C ATOM 872 CG1 ILE A 58 -13.807 -13.187 -3.489 1.00 52.02 C ATOM 873 CG2 ILE A 58 -15.495 -12.318 -1.843 1.00 2.21 C ATOM 874 CD1 ILE A 58 -12.725 -12.867 -4.501 1.00 1.04 C ATOM 0 H ILE A 58 -16.312 -10.126 -2.698 1.00 32.43 H new ATOM 0 HA ILE A 58 -14.598 -10.898 -4.855 1.00 34.41 H new ATOM 0 HB ILE A 58 -13.844 -11.230 -2.617 1.00 54.43 H new ATOM 0 HG12 ILE A 58 -13.356 -13.693 -2.635 1.00 52.02 H new ATOM 0 HG13 ILE A 58 -14.515 -13.885 -3.935 1.00 52.02 H new ATOM 0 HG21 ILE A 58 -14.918 -12.787 -1.046 1.00 2.21 H new ATOM 0 HG22 ILE A 58 -15.974 -11.416 -1.462 1.00 2.21 H new ATOM 0 HG23 ILE A 58 -16.257 -13.012 -2.196 1.00 2.21 H new ATOM 0 HD11 ILE A 58 -12.229 -13.788 -4.807 1.00 1.04 H new ATOM 0 HD12 ILE A 58 -13.172 -12.389 -5.373 1.00 1.04 H new ATOM 0 HD13 ILE A 58 -11.995 -12.194 -4.052 1.00 1.04 H new ATOM 886 N LEU A 59 -16.119 -12.290 -6.206 1.00 71.51 N ATOM 887 CA LEU A 59 -16.894 -13.189 -7.050 1.00 55.42 C ATOM 888 C LEU A 59 -15.973 -14.270 -7.603 1.00 70.22 C ATOM 889 O LEU A 59 -14.919 -13.963 -8.167 1.00 43.10 O ATOM 890 CB LEU A 59 -17.558 -12.387 -8.187 1.00 54.11 C ATOM 891 CG LEU A 59 -18.771 -13.034 -8.879 1.00 12.51 C ATOM 892 CD1 LEU A 59 -18.351 -14.170 -9.795 1.00 5.31 C ATOM 893 CD2 LEU A 59 -19.771 -13.529 -7.847 1.00 14.24 C ATOM 0 H LEU A 59 -15.497 -11.667 -6.721 1.00 71.51 H new ATOM 0 HA LEU A 59 -17.682 -13.667 -6.468 1.00 55.42 H new ATOM 0 HB2 LEU A 59 -17.871 -11.424 -7.785 1.00 54.11 H new ATOM 0 HB3 LEU A 59 -16.802 -12.185 -8.946 1.00 54.11 H new ATOM 0 HG LEU A 59 -19.247 -12.270 -9.494 1.00 12.51 H new ATOM 0 HD11 LEU A 59 -19.234 -14.603 -10.266 1.00 5.31 H new ATOM 0 HD12 LEU A 59 -17.680 -13.788 -10.564 1.00 5.31 H new ATOM 0 HD13 LEU A 59 -17.838 -14.936 -9.213 1.00 5.31 H new ATOM 0 HD21 LEU A 59 -20.622 -13.983 -8.354 1.00 14.24 H new ATOM 0 HD22 LEU A 59 -19.294 -14.269 -7.204 1.00 14.24 H new ATOM 0 HD23 LEU A 59 -20.115 -12.690 -7.242 1.00 14.24 H new ATOM 905 N GLU A 60 -16.356 -15.530 -7.419 1.00 22.00 N ATOM 906 CA GLU A 60 -15.547 -16.646 -7.892 1.00 70.22 C ATOM 907 C GLU A 60 -15.380 -16.589 -9.407 1.00 0.20 C ATOM 908 O GLU A 60 -16.353 -16.551 -10.159 1.00 10.32 O ATOM 909 CB GLU A 60 -16.142 -17.990 -7.458 1.00 23.05 C ATOM 910 CG GLU A 60 -17.585 -18.209 -7.882 1.00 4.34 C ATOM 911 CD GLU A 60 -18.083 -19.584 -7.507 1.00 53.22 C ATOM 912 OE1 GLU A 60 -17.894 -20.528 -8.301 1.00 32.12 O ATOM 913 OE2 GLU A 60 -18.660 -19.737 -6.410 1.00 73.24 O ATOM 0 H GLU A 60 -17.218 -15.802 -6.947 1.00 22.00 H new ATOM 0 HA GLU A 60 -14.561 -16.559 -7.436 1.00 70.22 H new ATOM 0 HB2 GLU A 60 -15.530 -18.793 -7.869 1.00 23.05 H new ATOM 0 HB3 GLU A 60 -16.080 -18.066 -6.372 1.00 23.05 H new ATOM 0 HG2 GLU A 60 -18.218 -17.454 -7.415 1.00 4.34 H new ATOM 0 HG3 GLU A 60 -17.670 -18.074 -8.960 1.00 4.34 H new ATOM 920 N GLY A 61 -14.139 -16.582 -9.842 1.00 64.03 N ATOM 921 CA GLY A 61 -13.838 -16.382 -11.239 1.00 63.01 C ATOM 922 C GLY A 61 -12.822 -15.279 -11.408 1.00 71.02 C ATOM 923 O GLY A 61 -12.003 -15.304 -12.327 1.00 30.03 O ATOM 0 H GLY A 61 -13.322 -16.713 -9.246 1.00 64.03 H new ATOM 0 HA2 GLY A 61 -13.455 -17.307 -11.671 1.00 63.01 H new ATOM 0 HA3 GLY A 61 -14.750 -16.131 -11.781 1.00 63.01 H new ATOM 927 N SER A 62 -12.884 -14.304 -10.513 1.00 14.42 N ATOM 928 CA SER A 62 -11.872 -13.269 -10.441 1.00 32.05 C ATOM 929 C SER A 62 -10.977 -13.528 -9.238 1.00 2.20 C ATOM 930 O SER A 62 -11.381 -13.318 -8.091 1.00 70.34 O ATOM 931 CB SER A 62 -12.524 -11.883 -10.359 1.00 75.23 C ATOM 932 OG SER A 62 -13.533 -11.840 -9.361 1.00 61.40 O ATOM 0 H SER A 62 -13.631 -14.211 -9.824 1.00 14.42 H new ATOM 0 HA SER A 62 -11.263 -13.291 -11.345 1.00 32.05 H new ATOM 0 HB2 SER A 62 -11.763 -11.134 -10.140 1.00 75.23 H new ATOM 0 HB3 SER A 62 -12.956 -11.625 -11.326 1.00 75.23 H new ATOM 0 HG SER A 62 -13.282 -12.426 -8.617 1.00 61.40 H new ATOM 938 N LEU A 63 -9.778 -14.024 -9.501 1.00 15.23 N ATOM 939 CA LEU A 63 -8.859 -14.384 -8.436 1.00 1.50 C ATOM 940 C LEU A 63 -8.057 -13.169 -8.011 1.00 23.22 C ATOM 941 O LEU A 63 -6.954 -12.924 -8.501 1.00 25.52 O ATOM 942 CB LEU A 63 -7.922 -15.523 -8.854 1.00 23.44 C ATOM 943 CG LEU A 63 -8.580 -16.900 -9.020 1.00 23.31 C ATOM 944 CD1 LEU A 63 -9.397 -16.971 -10.302 1.00 0.32 C ATOM 945 CD2 LEU A 63 -7.529 -17.995 -9.001 1.00 75.10 C ATOM 0 H LEU A 63 -9.420 -14.186 -10.442 1.00 15.23 H new ATOM 0 HA LEU A 63 -9.449 -14.740 -7.591 1.00 1.50 H new ATOM 0 HB2 LEU A 63 -7.448 -15.251 -9.797 1.00 23.44 H new ATOM 0 HB3 LEU A 63 -7.129 -15.607 -8.111 1.00 23.44 H new ATOM 0 HG LEU A 63 -9.259 -17.050 -8.181 1.00 23.31 H new ATOM 0 HD11 LEU A 63 -9.850 -17.958 -10.391 1.00 0.32 H new ATOM 0 HD12 LEU A 63 -10.180 -16.213 -10.277 1.00 0.32 H new ATOM 0 HD13 LEU A 63 -8.747 -16.792 -11.158 1.00 0.32 H new ATOM 0 HD21 LEU A 63 -8.012 -18.965 -9.120 1.00 75.10 H new ATOM 0 HD22 LEU A 63 -6.825 -17.838 -9.818 1.00 75.10 H new ATOM 0 HD23 LEU A 63 -6.994 -17.970 -8.051 1.00 75.10 H new ATOM 957 N GLY A 64 -8.635 -12.389 -7.113 1.00 32.43 N ATOM 958 CA GLY A 64 -7.995 -11.178 -6.671 1.00 40.33 C ATOM 959 C GLY A 64 -7.826 -11.121 -5.169 1.00 42.44 C ATOM 960 O GLY A 64 -8.802 -11.006 -4.431 1.00 72.13 O ATOM 0 H GLY A 64 -9.540 -12.577 -6.683 1.00 32.43 H new ATOM 0 HA2 GLY A 64 -7.017 -11.095 -7.146 1.00 40.33 H new ATOM 0 HA3 GLY A 64 -8.583 -10.321 -6.999 1.00 40.33 H new ATOM 964 N VAL A 65 -6.586 -11.233 -4.718 1.00 52.15 N ATOM 965 CA VAL A 65 -6.253 -10.978 -3.322 1.00 14.42 C ATOM 966 C VAL A 65 -5.995 -9.483 -3.153 1.00 14.05 C ATOM 967 O VAL A 65 -6.030 -8.939 -2.051 1.00 53.34 O ATOM 968 CB VAL A 65 -5.005 -11.781 -2.886 1.00 33.20 C ATOM 969 CG1 VAL A 65 -4.735 -11.616 -1.399 1.00 15.14 C ATOM 970 CG2 VAL A 65 -5.163 -13.252 -3.245 1.00 42.41 C ATOM 0 H VAL A 65 -5.791 -11.499 -5.299 1.00 52.15 H new ATOM 0 HA VAL A 65 -7.085 -11.295 -2.693 1.00 14.42 H new ATOM 0 HB VAL A 65 -4.145 -11.384 -3.426 1.00 33.20 H new ATOM 0 HG11 VAL A 65 -3.852 -12.192 -1.123 1.00 15.14 H new ATOM 0 HG12 VAL A 65 -4.566 -10.563 -1.175 1.00 15.14 H new ATOM 0 HG13 VAL A 65 -5.594 -11.974 -0.831 1.00 15.14 H new ATOM 0 HG21 VAL A 65 -4.275 -13.801 -2.931 1.00 42.41 H new ATOM 0 HG22 VAL A 65 -6.039 -13.658 -2.739 1.00 42.41 H new ATOM 0 HG23 VAL A 65 -5.288 -13.352 -4.323 1.00 42.41 H new ATOM 980 N ILE A 66 -5.793 -8.835 -4.298 1.00 31.21 N ATOM 981 CA ILE A 66 -5.488 -7.413 -4.380 1.00 2.21 C ATOM 982 C ILE A 66 -4.229 -7.071 -3.577 1.00 55.12 C ATOM 983 O ILE A 66 -4.305 -6.700 -2.404 1.00 64.31 O ATOM 984 CB ILE A 66 -6.658 -6.497 -3.918 1.00 73.54 C ATOM 985 CG1 ILE A 66 -7.947 -6.802 -4.693 1.00 41.13 C ATOM 986 CG2 ILE A 66 -6.288 -5.032 -4.111 1.00 62.20 C ATOM 987 CD1 ILE A 66 -8.832 -7.839 -4.040 1.00 64.44 C ATOM 0 H ILE A 66 -5.838 -9.293 -5.208 1.00 31.21 H new ATOM 0 HA ILE A 66 -5.320 -7.215 -5.439 1.00 2.21 H new ATOM 0 HB ILE A 66 -6.834 -6.695 -2.861 1.00 73.54 H new ATOM 0 HG12 ILE A 66 -8.514 -5.879 -4.810 1.00 41.13 H new ATOM 0 HG13 ILE A 66 -7.684 -7.144 -5.694 1.00 41.13 H new ATOM 0 HG21 ILE A 66 -7.115 -4.402 -3.784 1.00 62.20 H new ATOM 0 HG22 ILE A 66 -5.400 -4.800 -3.522 1.00 62.20 H new ATOM 0 HG23 ILE A 66 -6.083 -4.844 -5.165 1.00 62.20 H new ATOM 0 HD11 ILE A 66 -9.721 -7.996 -4.651 1.00 64.44 H new ATOM 0 HD12 ILE A 66 -8.285 -8.777 -3.947 1.00 64.44 H new ATOM 0 HD13 ILE A 66 -9.129 -7.493 -3.050 1.00 64.44 H new ATOM 999 N PRO A 67 -3.047 -7.222 -4.194 1.00 1.32 N ATOM 1000 CA PRO A 67 -1.793 -6.782 -3.594 1.00 42.44 C ATOM 1001 C PRO A 67 -1.741 -5.262 -3.538 1.00 73.34 C ATOM 1002 O PRO A 67 -1.319 -4.602 -4.489 1.00 11.15 O ATOM 1003 CB PRO A 67 -0.716 -7.337 -4.531 1.00 64.23 C ATOM 1004 CG PRO A 67 -1.407 -7.532 -5.837 1.00 43.35 C ATOM 1005 CD PRO A 67 -2.846 -7.836 -5.517 1.00 10.54 C ATOM 0 HA PRO A 67 -1.666 -7.130 -2.569 1.00 42.44 H new ATOM 0 HB2 PRO A 67 0.120 -6.644 -4.626 1.00 64.23 H new ATOM 0 HB3 PRO A 67 -0.311 -8.276 -4.154 1.00 64.23 H new ATOM 0 HG2 PRO A 67 -1.327 -6.638 -6.455 1.00 43.35 H new ATOM 0 HG3 PRO A 67 -0.953 -8.349 -6.398 1.00 43.35 H new ATOM 0 HD2 PRO A 67 -3.520 -7.412 -6.262 1.00 10.54 H new ATOM 0 HD3 PRO A 67 -3.033 -8.910 -5.493 1.00 10.54 H new ATOM 1013 N ARG A 68 -2.212 -4.713 -2.432 1.00 52.54 N ATOM 1014 CA ARG A 68 -2.413 -3.284 -2.317 1.00 5.10 C ATOM 1015 C ARG A 68 -1.111 -2.533 -2.122 1.00 51.43 C ATOM 1016 O ARG A 68 -0.320 -2.832 -1.227 1.00 12.54 O ATOM 1017 CB ARG A 68 -3.389 -2.974 -1.182 1.00 31.11 C ATOM 1018 CG ARG A 68 -4.842 -3.046 -1.611 1.00 32.05 C ATOM 1019 CD ARG A 68 -5.770 -3.154 -0.420 1.00 31.40 C ATOM 1020 NE ARG A 68 -5.700 -4.479 0.196 1.00 73.14 N ATOM 1021 CZ ARG A 68 -6.371 -4.829 1.294 1.00 11.54 C ATOM 1022 NH1 ARG A 68 -7.107 -3.930 1.939 1.00 2.14 N ATOM 1023 NH2 ARG A 68 -6.288 -6.074 1.756 1.00 0.05 N ATOM 0 H ARG A 68 -2.463 -5.242 -1.597 1.00 52.54 H new ATOM 0 HA ARG A 68 -2.841 -2.940 -3.259 1.00 5.10 H new ATOM 0 HB2 ARG A 68 -3.222 -3.676 -0.365 1.00 31.11 H new ATOM 0 HB3 ARG A 68 -3.180 -1.977 -0.793 1.00 31.11 H new ATOM 0 HG2 ARG A 68 -5.095 -2.158 -2.191 1.00 32.05 H new ATOM 0 HG3 ARG A 68 -4.987 -3.906 -2.265 1.00 32.05 H new ATOM 0 HD2 ARG A 68 -5.508 -2.395 0.317 1.00 31.40 H new ATOM 0 HD3 ARG A 68 -6.794 -2.952 -0.736 1.00 31.40 H new ATOM 0 HE ARG A 68 -5.101 -5.179 -0.242 1.00 73.14 H new ATOM 0 HH11 ARG A 68 -7.159 -2.971 1.594 1.00 2.14 H new ATOM 0 HH12 ARG A 68 -7.620 -4.199 2.779 1.00 2.14 H new ATOM 0 HH21 ARG A 68 -5.711 -6.761 1.270 1.00 0.05 H new ATOM 0 HH22 ARG A 68 -6.801 -6.342 2.596 1.00 0.05 H new ATOM 1037 N ARG A 69 -0.907 -1.557 -2.983 1.00 2.43 N ATOM 1038 CA ARG A 69 0.214 -0.653 -2.869 1.00 32.42 C ATOM 1039 C ARG A 69 -0.328 0.730 -2.548 1.00 54.42 C ATOM 1040 O ARG A 69 -1.274 1.196 -3.182 1.00 64.03 O ATOM 1041 CB ARG A 69 1.030 -0.656 -4.175 1.00 42.03 C ATOM 1042 CG ARG A 69 0.206 -0.310 -5.407 1.00 72.33 C ATOM 1043 CD ARG A 69 0.861 -0.796 -6.692 1.00 65.20 C ATOM 1044 NE ARG A 69 2.170 -0.189 -6.926 1.00 11.31 N ATOM 1045 CZ ARG A 69 2.603 0.206 -8.123 1.00 34.44 C ATOM 1046 NH1 ARG A 69 1.818 0.098 -9.190 1.00 53.45 N ATOM 1047 NH2 ARG A 69 3.824 0.714 -8.244 1.00 41.10 N ATOM 0 H ARG A 69 -1.515 -1.370 -3.781 1.00 2.43 H new ATOM 0 HA ARG A 69 0.886 -0.968 -2.071 1.00 32.42 H new ATOM 0 HB2 ARG A 69 1.849 0.057 -4.084 1.00 42.03 H new ATOM 0 HB3 ARG A 69 1.478 -1.640 -4.312 1.00 42.03 H new ATOM 0 HG2 ARG A 69 -0.785 -0.755 -5.316 1.00 72.33 H new ATOM 0 HG3 ARG A 69 0.067 0.770 -5.458 1.00 72.33 H new ATOM 0 HD2 ARG A 69 0.970 -1.880 -6.651 1.00 65.20 H new ATOM 0 HD3 ARG A 69 0.207 -0.573 -7.535 1.00 65.20 H new ATOM 0 HE ARG A 69 2.789 -0.060 -6.126 1.00 11.31 H new ATOM 0 HH11 ARG A 69 0.879 -0.289 -9.095 1.00 53.45 H new ATOM 0 HH12 ARG A 69 2.155 0.402 -10.104 1.00 53.45 H new ATOM 0 HH21 ARG A 69 4.424 0.800 -7.424 1.00 41.10 H new ATOM 0 HH22 ARG A 69 4.162 1.018 -9.157 1.00 41.10 H new ATOM 1061 N VAL A 70 0.244 1.368 -1.551 1.00 74.50 N ATOM 1062 CA VAL A 70 -0.292 2.619 -1.054 1.00 61.34 C ATOM 1063 C VAL A 70 0.508 3.793 -1.580 1.00 75.44 C ATOM 1064 O VAL A 70 1.676 3.960 -1.240 1.00 54.11 O ATOM 1065 CB VAL A 70 -0.298 2.657 0.488 1.00 40.32 C ATOM 1066 CG1 VAL A 70 -0.909 3.956 0.994 1.00 55.34 C ATOM 1067 CG2 VAL A 70 -1.055 1.463 1.047 1.00 50.44 C ATOM 0 H VAL A 70 1.081 1.042 -1.067 1.00 74.50 H new ATOM 0 HA VAL A 70 -1.320 2.692 -1.410 1.00 61.34 H new ATOM 0 HB VAL A 70 0.735 2.607 0.833 1.00 40.32 H new ATOM 0 HG11 VAL A 70 -0.903 3.961 2.084 1.00 55.34 H new ATOM 0 HG12 VAL A 70 -0.327 4.800 0.624 1.00 55.34 H new ATOM 0 HG13 VAL A 70 -1.935 4.039 0.637 1.00 55.34 H new ATOM 0 HG21 VAL A 70 -1.049 1.506 2.136 1.00 50.44 H new ATOM 0 HG22 VAL A 70 -2.084 1.484 0.689 1.00 50.44 H new ATOM 0 HG23 VAL A 70 -0.575 0.541 0.718 1.00 50.44 H new ATOM 1077 N LEU A 71 -0.121 4.574 -2.439 1.00 54.11 N ATOM 1078 CA LEU A 71 0.482 5.794 -2.942 1.00 51.02 C ATOM 1079 C LEU A 71 -0.134 6.988 -2.223 1.00 14.44 C ATOM 1080 O LEU A 71 -1.328 6.987 -1.918 1.00 15.13 O ATOM 1081 CB LEU A 71 0.298 5.912 -4.463 1.00 1.34 C ATOM 1082 CG LEU A 71 1.161 4.965 -5.312 1.00 62.21 C ATOM 1083 CD1 LEU A 71 0.693 3.523 -5.190 1.00 12.42 C ATOM 1084 CD2 LEU A 71 1.155 5.397 -6.770 1.00 74.00 C ATOM 0 H LEU A 71 -1.054 4.383 -2.804 1.00 54.11 H new ATOM 0 HA LEU A 71 1.554 5.772 -2.747 1.00 51.02 H new ATOM 0 HB2 LEU A 71 -0.750 5.729 -4.699 1.00 1.34 H new ATOM 0 HB3 LEU A 71 0.517 6.938 -4.759 1.00 1.34 H new ATOM 0 HG LEU A 71 2.181 5.021 -4.931 1.00 62.21 H new ATOM 0 HD11 LEU A 71 1.326 2.882 -5.804 1.00 12.42 H new ATOM 0 HD12 LEU A 71 0.757 3.207 -4.149 1.00 12.42 H new ATOM 0 HD13 LEU A 71 -0.340 3.446 -5.530 1.00 12.42 H new ATOM 0 HD21 LEU A 71 1.772 4.714 -7.354 1.00 74.00 H new ATOM 0 HD22 LEU A 71 0.134 5.380 -7.150 1.00 74.00 H new ATOM 0 HD23 LEU A 71 1.555 6.407 -6.852 1.00 74.00 H new ATOM 1096 N VAL A 72 0.672 7.995 -1.935 1.00 23.45 N ATOM 1097 CA VAL A 72 0.212 9.119 -1.141 1.00 62.03 C ATOM 1098 C VAL A 72 0.318 10.420 -1.908 1.00 40.23 C ATOM 1099 O VAL A 72 0.846 10.464 -3.021 1.00 10.13 O ATOM 1100 CB VAL A 72 1.000 9.252 0.180 1.00 73.33 C ATOM 1101 CG1 VAL A 72 0.704 8.083 1.101 1.00 72.41 C ATOM 1102 CG2 VAL A 72 2.495 9.357 -0.088 1.00 64.40 C ATOM 0 H VAL A 72 1.644 8.057 -2.238 1.00 23.45 H new ATOM 0 HA VAL A 72 -0.834 8.920 -0.910 1.00 62.03 H new ATOM 0 HB VAL A 72 0.678 10.169 0.674 1.00 73.33 H new ATOM 0 HG11 VAL A 72 1.269 8.196 2.026 1.00 72.41 H new ATOM 0 HG12 VAL A 72 -0.362 8.059 1.328 1.00 72.41 H new ATOM 0 HG13 VAL A 72 0.992 7.152 0.612 1.00 72.41 H new ATOM 0 HG21 VAL A 72 3.029 9.450 0.858 1.00 64.40 H new ATOM 0 HG22 VAL A 72 2.835 8.462 -0.610 1.00 64.40 H new ATOM 0 HG23 VAL A 72 2.693 10.234 -0.704 1.00 64.40 H new ATOM 1112 N HIS A 73 -0.194 11.471 -1.291 1.00 40.14 N ATOM 1113 CA HIS A 73 -0.179 12.802 -1.868 1.00 41.41 C ATOM 1114 C HIS A 73 1.245 13.244 -2.181 1.00 11.21 C ATOM 1115 O HIS A 73 2.103 13.289 -1.297 1.00 3.34 O ATOM 1116 CB HIS A 73 -0.852 13.784 -0.896 1.00 55.33 C ATOM 1117 CG HIS A 73 -0.804 15.227 -1.307 1.00 44.10 C ATOM 1118 ND1 HIS A 73 -0.080 16.179 -0.622 1.00 14.20 N ATOM 1119 CD2 HIS A 73 -1.421 15.886 -2.316 1.00 52.24 C ATOM 1120 CE1 HIS A 73 -0.251 17.356 -1.191 1.00 44.32 C ATOM 1121 NE2 HIS A 73 -1.062 17.210 -2.222 1.00 64.05 N ATOM 0 H HIS A 73 -0.633 11.424 -0.372 1.00 40.14 H new ATOM 0 HA HIS A 73 -0.733 12.789 -2.807 1.00 41.41 H new ATOM 0 HB2 HIS A 73 -1.895 13.492 -0.775 1.00 55.33 H new ATOM 0 HB3 HIS A 73 -0.378 13.685 0.081 1.00 55.33 H new ATOM 0 HD2 HIS A 73 -2.075 15.452 -3.058 1.00 52.24 H new ATOM 0 HE1 HIS A 73 0.197 18.284 -0.868 1.00 44.32 H new ATOM 0 HE2 HIS A 73 -1.371 17.956 -2.846 1.00 64.05 H new ATOM 1130 N GLU A 74 1.488 13.560 -3.445 1.00 23.11 N ATOM 1131 CA GLU A 74 2.790 14.044 -3.868 1.00 25.22 C ATOM 1132 C GLU A 74 3.091 15.364 -3.172 1.00 4.14 C ATOM 1133 O GLU A 74 2.164 16.069 -2.775 1.00 1.11 O ATOM 1134 CB GLU A 74 2.827 14.206 -5.384 1.00 24.34 C ATOM 1135 CG GLU A 74 2.403 12.945 -6.118 1.00 14.13 C ATOM 1136 CD GLU A 74 2.443 13.090 -7.623 1.00 71.22 C ATOM 1137 OE1 GLU A 74 3.549 13.292 -8.165 1.00 33.34 O ATOM 1138 OE2 GLU A 74 1.379 12.971 -8.267 1.00 62.11 O ATOM 0 H GLU A 74 0.799 13.489 -4.194 1.00 23.11 H new ATOM 0 HA GLU A 74 3.555 13.319 -3.590 1.00 25.22 H new ATOM 0 HB2 GLU A 74 2.172 15.028 -5.674 1.00 24.34 H new ATOM 0 HB3 GLU A 74 3.836 14.479 -5.692 1.00 24.34 H new ATOM 0 HG2 GLU A 74 3.054 12.123 -5.821 1.00 14.13 H new ATOM 0 HG3 GLU A 74 1.392 12.677 -5.812 1.00 14.13 H new ATOM 1145 N ASP A 75 4.381 15.669 -3.011 1.00 51.33 N ATOM 1146 CA ASP A 75 4.843 16.839 -2.245 1.00 51.44 C ATOM 1147 C ASP A 75 4.795 16.569 -0.738 1.00 3.03 C ATOM 1148 O ASP A 75 5.444 17.256 0.049 1.00 44.00 O ATOM 1149 CB ASP A 75 4.037 18.102 -2.592 1.00 42.22 C ATOM 1150 CG ASP A 75 4.369 19.285 -1.702 1.00 71.35 C ATOM 1151 OD1 ASP A 75 3.735 19.438 -0.638 1.00 65.20 O ATOM 1152 OD2 ASP A 75 5.266 20.075 -2.067 1.00 51.41 O ATOM 0 H ASP A 75 5.139 15.113 -3.407 1.00 51.33 H new ATOM 0 HA ASP A 75 5.880 17.017 -2.529 1.00 51.44 H new ATOM 0 HB2 ASP A 75 4.227 18.372 -3.631 1.00 42.22 H new ATOM 0 HB3 ASP A 75 2.973 17.880 -2.509 1.00 42.22 H new ATOM 1157 N ASP A 76 4.061 15.540 -0.339 1.00 63.54 N ATOM 1158 CA ASP A 76 3.898 15.220 1.073 1.00 73.22 C ATOM 1159 C ASP A 76 4.746 14.015 1.440 1.00 3.54 C ATOM 1160 O ASP A 76 4.553 13.395 2.486 1.00 14.32 O ATOM 1161 CB ASP A 76 2.430 14.934 1.388 1.00 12.40 C ATOM 1162 CG ASP A 76 1.937 15.704 2.595 1.00 4.31 C ATOM 1163 OD1 ASP A 76 2.185 15.268 3.731 1.00 34.25 O ATOM 1164 OD2 ASP A 76 1.296 16.757 2.401 1.00 55.31 O ATOM 0 H ASP A 76 3.568 14.912 -0.973 1.00 63.54 H new ATOM 0 HA ASP A 76 4.225 16.078 1.661 1.00 73.22 H new ATOM 0 HB2 ASP A 76 1.819 15.191 0.523 1.00 12.40 H new ATOM 0 HB3 ASP A 76 2.301 13.866 1.564 1.00 12.40 H new ATOM 1169 N LEU A 77 5.704 13.702 0.577 1.00 11.02 N ATOM 1170 CA LEU A 77 6.555 12.536 0.765 1.00 43.31 C ATOM 1171 C LEU A 77 7.348 12.633 2.063 1.00 61.34 C ATOM 1172 O LEU A 77 7.351 11.698 2.859 1.00 12.34 O ATOM 1173 CB LEU A 77 7.513 12.352 -0.419 1.00 13.21 C ATOM 1174 CG LEU A 77 6.918 11.680 -1.665 1.00 43.45 C ATOM 1175 CD1 LEU A 77 6.336 10.321 -1.307 1.00 24.25 C ATOM 1176 CD2 LEU A 77 5.861 12.563 -2.309 1.00 10.31 C ATOM 0 H LEU A 77 5.911 14.242 -0.263 1.00 11.02 H new ATOM 0 HA LEU A 77 5.901 11.666 0.823 1.00 43.31 H new ATOM 0 HB2 LEU A 77 7.897 13.331 -0.706 1.00 13.21 H new ATOM 0 HB3 LEU A 77 8.365 11.761 -0.083 1.00 13.21 H new ATOM 0 HG LEU A 77 7.720 11.535 -2.389 1.00 43.45 H new ATOM 0 HD11 LEU A 77 5.918 9.857 -2.201 1.00 24.25 H new ATOM 0 HD12 LEU A 77 7.122 9.684 -0.901 1.00 24.25 H new ATOM 0 HD13 LEU A 77 5.550 10.447 -0.562 1.00 24.25 H new ATOM 0 HD21 LEU A 77 5.456 12.063 -3.189 1.00 10.31 H new ATOM 0 HD22 LEU A 77 5.058 12.749 -1.596 1.00 10.31 H new ATOM 0 HD23 LEU A 77 6.310 13.511 -2.605 1.00 10.31 H new ATOM 1188 N ALA A 78 7.995 13.768 2.292 1.00 22.40 N ATOM 1189 CA ALA A 78 8.809 13.941 3.490 1.00 44.41 C ATOM 1190 C ALA A 78 7.949 13.917 4.749 1.00 2.13 C ATOM 1191 O ALA A 78 8.435 13.618 5.843 1.00 24.25 O ATOM 1192 CB ALA A 78 9.608 15.232 3.411 1.00 32.01 C ATOM 0 H ALA A 78 7.974 14.577 1.671 1.00 22.40 H new ATOM 0 HA ALA A 78 9.506 13.105 3.546 1.00 44.41 H new ATOM 0 HB1 ALA A 78 10.209 15.344 4.313 1.00 32.01 H new ATOM 0 HB2 ALA A 78 10.263 15.202 2.540 1.00 32.01 H new ATOM 0 HB3 ALA A 78 8.926 16.077 3.323 1.00 32.01 H new ATOM 1198 N GLY A 79 6.665 14.212 4.587 1.00 64.34 N ATOM 1199 CA GLY A 79 5.762 14.229 5.721 1.00 22.42 C ATOM 1200 C GLY A 79 5.216 12.855 6.049 1.00 60.32 C ATOM 1201 O GLY A 79 5.369 12.366 7.173 1.00 61.25 O ATOM 0 H GLY A 79 6.234 14.440 3.691 1.00 64.34 H new ATOM 0 HA2 GLY A 79 6.285 14.626 6.591 1.00 22.42 H new ATOM 0 HA3 GLY A 79 4.933 14.905 5.511 1.00 22.42 H new ATOM 1205 N ALA A 80 4.591 12.225 5.058 1.00 44.32 N ATOM 1206 CA ALA A 80 3.952 10.926 5.241 1.00 54.11 C ATOM 1207 C ALA A 80 4.955 9.857 5.658 1.00 65.15 C ATOM 1208 O ALA A 80 4.692 9.073 6.571 1.00 33.43 O ATOM 1209 CB ALA A 80 3.234 10.506 3.966 1.00 13.11 C ATOM 0 H ALA A 80 4.514 12.598 4.112 1.00 44.32 H new ATOM 0 HA ALA A 80 3.223 11.028 6.045 1.00 54.11 H new ATOM 0 HB1 ALA A 80 2.762 9.535 4.117 1.00 13.11 H new ATOM 0 HB2 ALA A 80 2.472 11.245 3.717 1.00 13.11 H new ATOM 0 HB3 ALA A 80 3.953 10.437 3.150 1.00 13.11 H new ATOM 1215 N ARG A 81 6.110 9.834 4.999 1.00 42.11 N ATOM 1216 CA ARG A 81 7.134 8.839 5.300 1.00 15.41 C ATOM 1217 C ARG A 81 7.632 9.011 6.729 1.00 24.11 C ATOM 1218 O ARG A 81 7.883 8.033 7.434 1.00 41.40 O ATOM 1219 CB ARG A 81 8.304 8.943 4.314 1.00 62.13 C ATOM 1220 CG ARG A 81 7.877 8.819 2.863 1.00 1.23 C ATOM 1221 CD ARG A 81 9.041 9.012 1.906 1.00 42.15 C ATOM 1222 NE ARG A 81 9.881 7.821 1.805 1.00 5.33 N ATOM 1223 CZ ARG A 81 10.268 7.294 0.642 1.00 24.45 C ATOM 1224 NH1 ARG A 81 9.907 7.870 -0.497 1.00 45.54 N ATOM 1225 NH2 ARG A 81 11.016 6.199 0.619 1.00 42.14 N ATOM 0 H ARG A 81 6.359 10.489 4.258 1.00 42.11 H new ATOM 0 HA ARG A 81 6.689 7.849 5.198 1.00 15.41 H new ATOM 0 HB2 ARG A 81 8.807 9.899 4.457 1.00 62.13 H new ATOM 0 HB3 ARG A 81 9.031 8.163 4.540 1.00 62.13 H new ATOM 0 HG2 ARG A 81 7.432 7.837 2.699 1.00 1.23 H new ATOM 0 HG3 ARG A 81 7.105 9.558 2.648 1.00 1.23 H new ATOM 0 HD2 ARG A 81 8.657 9.268 0.918 1.00 42.15 H new ATOM 0 HD3 ARG A 81 9.647 9.854 2.240 1.00 42.15 H new ATOM 0 HE ARG A 81 10.187 7.370 2.667 1.00 5.33 H new ATOM 0 HH11 ARG A 81 9.335 8.714 -0.483 1.00 45.54 H new ATOM 0 HH12 ARG A 81 10.202 7.469 -1.387 1.00 45.54 H new ATOM 0 HH21 ARG A 81 11.298 5.756 1.493 1.00 42.14 H new ATOM 0 HH22 ARG A 81 11.309 5.800 -0.273 1.00 42.14 H new ATOM 1239 N ARG A 82 7.731 10.261 7.164 1.00 15.04 N ATOM 1240 CA ARG A 82 8.189 10.563 8.510 1.00 72.12 C ATOM 1241 C ARG A 82 7.164 10.107 9.539 1.00 73.42 C ATOM 1242 O ARG A 82 7.520 9.499 10.544 1.00 71.33 O ATOM 1243 CB ARG A 82 8.460 12.060 8.664 1.00 50.13 C ATOM 1244 CG ARG A 82 8.941 12.449 10.052 1.00 53.40 C ATOM 1245 CD ARG A 82 10.214 11.709 10.432 1.00 0.11 C ATOM 1246 NE ARG A 82 10.572 11.931 11.830 1.00 11.15 N ATOM 1247 CZ ARG A 82 11.475 11.218 12.498 1.00 52.40 C ATOM 1248 NH1 ARG A 82 12.129 10.230 11.893 1.00 61.32 N ATOM 1249 NH2 ARG A 82 11.722 11.506 13.767 1.00 15.31 N ATOM 0 H ARG A 82 7.500 11.081 6.603 1.00 15.04 H new ATOM 0 HA ARG A 82 9.120 10.022 8.681 1.00 72.12 H new ATOM 0 HB2 ARG A 82 9.207 12.363 7.931 1.00 50.13 H new ATOM 0 HB3 ARG A 82 7.548 12.612 8.436 1.00 50.13 H new ATOM 0 HG2 ARG A 82 9.120 13.524 10.088 1.00 53.40 H new ATOM 0 HG3 ARG A 82 8.161 12.231 10.782 1.00 53.40 H new ATOM 0 HD2 ARG A 82 10.081 10.642 10.256 1.00 0.11 H new ATOM 0 HD3 ARG A 82 11.031 12.038 9.791 1.00 0.11 H new ATOM 0 HE ARG A 82 10.098 12.684 12.328 1.00 11.15 H new ATOM 0 HH11 ARG A 82 11.939 10.017 10.914 1.00 61.32 H new ATOM 0 HH12 ARG A 82 12.821 9.686 12.408 1.00 61.32 H new ATOM 0 HH21 ARG A 82 11.222 12.269 14.224 1.00 15.31 H new ATOM 0 HH22 ARG A 82 12.412 10.965 14.288 1.00 15.31 H new ATOM 1263 N LEU A 83 5.893 10.385 9.267 1.00 4.51 N ATOM 1264 CA LEU A 83 4.808 10.021 10.177 1.00 42.13 C ATOM 1265 C LEU A 83 4.816 8.521 10.467 1.00 24.34 C ATOM 1266 O LEU A 83 4.789 8.100 11.623 1.00 61.30 O ATOM 1267 CB LEU A 83 3.461 10.426 9.572 1.00 74.11 C ATOM 1268 CG LEU A 83 2.237 10.111 10.434 1.00 34.04 C ATOM 1269 CD1 LEU A 83 2.240 10.958 11.698 1.00 74.25 C ATOM 1270 CD2 LEU A 83 0.955 10.331 9.644 1.00 54.13 C ATOM 0 H LEU A 83 5.586 10.863 8.420 1.00 4.51 H new ATOM 0 HA LEU A 83 4.958 10.553 11.117 1.00 42.13 H new ATOM 0 HB2 LEU A 83 3.478 11.497 9.372 1.00 74.11 H new ATOM 0 HB3 LEU A 83 3.347 9.924 8.611 1.00 74.11 H new ATOM 0 HG LEU A 83 2.284 9.062 10.725 1.00 34.04 H new ATOM 0 HD11 LEU A 83 1.362 10.720 12.298 1.00 74.25 H new ATOM 0 HD12 LEU A 83 3.141 10.748 12.274 1.00 74.25 H new ATOM 0 HD13 LEU A 83 2.219 12.014 11.428 1.00 74.25 H new ATOM 0 HD21 LEU A 83 0.096 10.102 10.274 1.00 54.13 H new ATOM 0 HD22 LEU A 83 0.901 11.370 9.320 1.00 54.13 H new ATOM 0 HD23 LEU A 83 0.949 9.679 8.771 1.00 54.13 H new ATOM 1282 N LEU A 84 4.881 7.723 9.406 1.00 23.10 N ATOM 1283 CA LEU A 84 4.862 6.266 9.528 1.00 74.00 C ATOM 1284 C LEU A 84 6.129 5.747 10.198 1.00 0.11 C ATOM 1285 O LEU A 84 6.113 4.694 10.834 1.00 75.34 O ATOM 1286 CB LEU A 84 4.700 5.606 8.155 1.00 74.25 C ATOM 1287 CG LEU A 84 3.271 5.540 7.594 1.00 54.31 C ATOM 1288 CD1 LEU A 84 2.612 6.912 7.542 1.00 74.34 C ATOM 1289 CD2 LEU A 84 3.295 4.913 6.212 1.00 10.04 C ATOM 0 H LEU A 84 4.948 8.061 8.446 1.00 23.10 H new ATOM 0 HA LEU A 84 4.008 6.006 10.153 1.00 74.00 H new ATOM 0 HB2 LEU A 84 5.323 6.145 7.441 1.00 74.25 H new ATOM 0 HB3 LEU A 84 5.091 4.590 8.216 1.00 74.25 H new ATOM 0 HG LEU A 84 2.675 4.924 8.267 1.00 54.31 H new ATOM 0 HD11 LEU A 84 1.604 6.816 7.139 1.00 74.34 H new ATOM 0 HD12 LEU A 84 2.563 7.330 8.547 1.00 74.34 H new ATOM 0 HD13 LEU A 84 3.197 7.573 6.902 1.00 74.34 H new ATOM 0 HD21 LEU A 84 2.281 4.867 5.816 1.00 10.04 H new ATOM 0 HD22 LEU A 84 3.916 5.516 5.550 1.00 10.04 H new ATOM 0 HD23 LEU A 84 3.705 3.905 6.277 1.00 10.04 H new ATOM 1301 N THR A 85 7.224 6.481 10.042 1.00 63.31 N ATOM 1302 CA THR A 85 8.499 6.071 10.617 1.00 24.21 C ATOM 1303 C THR A 85 8.582 6.440 12.097 1.00 14.04 C ATOM 1304 O THR A 85 9.083 5.664 12.912 1.00 1.14 O ATOM 1305 CB THR A 85 9.684 6.715 9.865 1.00 74.52 C ATOM 1306 OG1 THR A 85 9.613 6.392 8.471 1.00 14.34 O ATOM 1307 CG2 THR A 85 11.018 6.237 10.422 1.00 1.02 C ATOM 0 H THR A 85 7.255 7.359 9.524 1.00 63.31 H new ATOM 0 HA THR A 85 8.560 4.987 10.516 1.00 24.21 H new ATOM 0 HB THR A 85 9.617 7.794 10.001 1.00 74.52 H new ATOM 0 HG1 THR A 85 9.096 7.080 8.002 1.00 14.34 H new ATOM 0 HG21 THR A 85 11.832 6.708 9.871 1.00 1.02 H new ATOM 0 HG22 THR A 85 11.089 6.506 11.476 1.00 1.02 H new ATOM 0 HG23 THR A 85 11.089 5.154 10.318 1.00 1.02 H new ATOM 1315 N ASP A 86 8.080 7.620 12.437 1.00 12.41 N ATOM 1316 CA ASP A 86 8.155 8.115 13.803 1.00 21.33 C ATOM 1317 C ASP A 86 7.170 7.391 14.705 1.00 13.31 C ATOM 1318 O ASP A 86 7.506 7.022 15.830 1.00 3.15 O ATOM 1319 CB ASP A 86 7.890 9.621 13.849 1.00 63.42 C ATOM 1320 CG ASP A 86 8.011 10.176 15.253 1.00 14.12 C ATOM 1321 OD1 ASP A 86 9.106 10.062 15.845 1.00 4.34 O ATOM 1322 OD2 ASP A 86 7.015 10.714 15.779 1.00 31.53 O ATOM 0 H ASP A 86 7.616 8.252 11.784 1.00 12.41 H new ATOM 0 HA ASP A 86 9.164 7.921 14.167 1.00 21.33 H new ATOM 0 HB2 ASP A 86 8.595 10.133 13.195 1.00 63.42 H new ATOM 0 HB3 ASP A 86 6.891 9.825 13.463 1.00 63.42 H new ATOM 1327 N ALA A 87 5.962 7.174 14.207 1.00 41.51 N ATOM 1328 CA ALA A 87 4.928 6.514 14.985 1.00 2.55 C ATOM 1329 C ALA A 87 3.922 5.849 14.068 1.00 62.11 C ATOM 1330 O ALA A 87 2.882 6.422 13.742 1.00 22.21 O ATOM 1331 CB ALA A 87 4.232 7.500 15.917 1.00 21.33 C ATOM 0 H ALA A 87 5.675 7.446 13.267 1.00 41.51 H new ATOM 0 HA ALA A 87 5.401 5.747 15.598 1.00 2.55 H new ATOM 0 HB1 ALA A 87 3.463 6.980 16.488 1.00 21.33 H new ATOM 0 HB2 ALA A 87 4.962 7.931 16.602 1.00 21.33 H new ATOM 0 HB3 ALA A 87 3.773 8.295 15.329 1.00 21.33 H new ATOM 1337 N GLY A 88 4.247 4.647 13.631 1.00 21.14 N ATOM 1338 CA GLY A 88 3.370 3.937 12.735 1.00 1.43 C ATOM 1339 C GLY A 88 3.792 2.502 12.533 1.00 44.30 C ATOM 1340 O GLY A 88 3.479 1.637 13.352 1.00 35.00 O ATOM 0 H GLY A 88 5.102 4.151 13.881 1.00 21.14 H new ATOM 0 HA2 GLY A 88 2.354 3.962 13.130 1.00 1.43 H new ATOM 0 HA3 GLY A 88 3.350 4.446 11.771 1.00 1.43 H new ATOM 1344 N LEU A 89 4.531 2.255 11.458 1.00 24.14 N ATOM 1345 CA LEU A 89 4.883 0.893 11.057 1.00 44.52 C ATOM 1346 C LEU A 89 5.836 0.898 9.864 1.00 14.22 C ATOM 1347 O LEU A 89 5.644 0.170 8.893 1.00 71.15 O ATOM 1348 CB LEU A 89 3.608 0.082 10.746 1.00 52.33 C ATOM 1349 CG LEU A 89 2.485 0.835 10.016 1.00 71.13 C ATOM 1350 CD1 LEU A 89 2.773 0.967 8.529 1.00 3.34 C ATOM 1351 CD2 LEU A 89 1.152 0.142 10.241 1.00 12.13 C ATOM 0 H LEU A 89 4.901 2.981 10.845 1.00 24.14 H new ATOM 0 HA LEU A 89 5.402 0.414 11.887 1.00 44.52 H new ATOM 0 HB2 LEU A 89 3.890 -0.781 10.143 1.00 52.33 H new ATOM 0 HB3 LEU A 89 3.209 -0.302 11.685 1.00 52.33 H new ATOM 0 HG LEU A 89 2.435 1.841 10.432 1.00 71.13 H new ATOM 0 HD11 LEU A 89 1.957 1.505 8.047 1.00 3.34 H new ATOM 0 HD12 LEU A 89 3.704 1.516 8.386 1.00 3.34 H new ATOM 0 HD13 LEU A 89 2.865 -0.025 8.087 1.00 3.34 H new ATOM 0 HD21 LEU A 89 0.366 0.687 9.718 1.00 12.13 H new ATOM 0 HD22 LEU A 89 1.203 -0.878 9.859 1.00 12.13 H new ATOM 0 HD23 LEU A 89 0.929 0.119 11.308 1.00 12.13 H new ATOM 1363 N ALA A 90 6.885 1.700 9.958 1.00 42.42 N ATOM 1364 CA ALA A 90 7.834 1.844 8.862 1.00 43.12 C ATOM 1365 C ALA A 90 8.641 0.564 8.645 1.00 42.35 C ATOM 1366 O ALA A 90 9.655 0.333 9.308 1.00 52.21 O ATOM 1367 CB ALA A 90 8.768 3.016 9.118 1.00 54.41 C ATOM 0 H ALA A 90 7.102 2.262 10.781 1.00 42.42 H new ATOM 0 HA ALA A 90 7.262 2.037 7.954 1.00 43.12 H new ATOM 0 HB1 ALA A 90 9.470 3.109 8.290 1.00 54.41 H new ATOM 0 HB2 ALA A 90 8.186 3.933 9.205 1.00 54.41 H new ATOM 0 HB3 ALA A 90 9.319 2.847 10.043 1.00 54.41 H new ATOM 1373 N HIS A 91 8.164 -0.279 7.739 1.00 40.41 N ATOM 1374 CA HIS A 91 8.872 -1.500 7.373 1.00 74.53 C ATOM 1375 C HIS A 91 8.553 -1.881 5.934 1.00 33.22 C ATOM 1376 O HIS A 91 9.446 -2.166 5.140 1.00 1.31 O ATOM 1377 CB HIS A 91 8.495 -2.649 8.318 1.00 32.33 C ATOM 1378 CG HIS A 91 9.228 -3.924 8.037 1.00 73.43 C ATOM 1379 ND1 HIS A 91 10.481 -4.192 8.538 1.00 71.24 N ATOM 1380 CD2 HIS A 91 8.882 -5.002 7.293 1.00 40.24 C ATOM 1381 CE1 HIS A 91 10.877 -5.378 8.111 1.00 72.52 C ATOM 1382 NE2 HIS A 91 9.925 -5.890 7.354 1.00 25.41 N ATOM 0 H HIS A 91 7.285 -0.139 7.241 1.00 40.41 H new ATOM 0 HA HIS A 91 9.943 -1.316 7.462 1.00 74.53 H new ATOM 0 HB2 HIS A 91 8.695 -2.344 9.345 1.00 32.33 H new ATOM 0 HB3 HIS A 91 7.423 -2.832 8.243 1.00 32.33 H new ATOM 0 HD2 HIS A 91 7.957 -5.137 6.752 1.00 40.24 H new ATOM 0 HE1 HIS A 91 11.821 -5.849 8.343 1.00 72.52 H new ATOM 0 HE2 HIS A 91 9.959 -6.798 6.890 1.00 25.41 H new ATOM 1391 N GLU A 92 7.271 -1.867 5.609 1.00 3.32 N ATOM 1392 CA GLU A 92 6.799 -2.240 4.281 1.00 11.44 C ATOM 1393 C GLU A 92 7.051 -1.114 3.277 1.00 64.32 C ATOM 1394 O GLU A 92 6.719 -1.233 2.096 1.00 32.20 O ATOM 1395 CB GLU A 92 5.297 -2.575 4.323 1.00 75.34 C ATOM 1396 CG GLU A 92 4.924 -3.732 5.250 1.00 30.31 C ATOM 1397 CD GLU A 92 5.141 -3.426 6.724 1.00 3.35 C ATOM 1398 OE1 GLU A 92 5.092 -2.240 7.103 1.00 60.22 O ATOM 1399 OE2 GLU A 92 5.371 -4.373 7.507 1.00 60.25 O ATOM 0 H GLU A 92 6.528 -1.598 6.254 1.00 3.32 H new ATOM 0 HA GLU A 92 7.354 -3.122 3.960 1.00 11.44 H new ATOM 0 HB2 GLU A 92 4.749 -1.686 4.636 1.00 75.34 H new ATOM 0 HB3 GLU A 92 4.964 -2.815 3.313 1.00 75.34 H new ATOM 0 HG2 GLU A 92 3.877 -3.990 5.092 1.00 30.31 H new ATOM 0 HG3 GLU A 92 5.513 -4.608 4.979 1.00 30.31 H new ATOM 1406 N LEU A 93 7.630 -0.021 3.761 1.00 14.41 N ATOM 1407 CA LEU A 93 7.936 1.131 2.923 1.00 73.30 C ATOM 1408 C LEU A 93 9.014 0.784 1.905 1.00 43.11 C ATOM 1409 O LEU A 93 9.972 0.071 2.220 1.00 45.20 O ATOM 1410 CB LEU A 93 8.424 2.299 3.784 1.00 61.32 C ATOM 1411 CG LEU A 93 7.446 2.801 4.849 1.00 44.31 C ATOM 1412 CD1 LEU A 93 8.075 3.925 5.661 1.00 14.41 C ATOM 1413 CD2 LEU A 93 6.155 3.273 4.206 1.00 31.14 C ATOM 0 H LEU A 93 7.899 0.091 4.739 1.00 14.41 H new ATOM 0 HA LEU A 93 7.024 1.416 2.399 1.00 73.30 H new ATOM 0 HB2 LEU A 93 9.347 1.999 4.279 1.00 61.32 H new ATOM 0 HB3 LEU A 93 8.672 3.131 3.125 1.00 61.32 H new ATOM 0 HG LEU A 93 7.215 1.974 5.521 1.00 44.31 H new ATOM 0 HD11 LEU A 93 7.366 4.271 6.414 1.00 14.41 H new ATOM 0 HD12 LEU A 93 8.976 3.559 6.152 1.00 14.41 H new ATOM 0 HD13 LEU A 93 8.333 4.752 4.999 1.00 14.41 H new ATOM 0 HD21 LEU A 93 5.472 3.626 4.978 1.00 31.14 H new ATOM 0 HD22 LEU A 93 6.370 4.086 3.512 1.00 31.14 H new ATOM 0 HD23 LEU A 93 5.695 2.446 3.665 1.00 31.14 H new ATOM 1425 N ARG A 94 8.862 1.285 0.689 1.00 52.33 N ATOM 1426 CA ARG A 94 9.877 1.087 -0.330 1.00 55.21 C ATOM 1427 C ARG A 94 10.675 2.365 -0.531 1.00 74.31 C ATOM 1428 O ARG A 94 10.118 3.464 -0.513 1.00 4.31 O ATOM 1429 CB ARG A 94 9.274 0.652 -1.670 1.00 53.33 C ATOM 1430 CG ARG A 94 10.345 0.396 -2.723 1.00 4.34 C ATOM 1431 CD ARG A 94 9.770 0.125 -4.099 1.00 23.22 C ATOM 1432 NE ARG A 94 10.829 0.084 -5.113 1.00 62.45 N ATOM 1433 CZ ARG A 94 10.770 -0.622 -6.243 1.00 42.11 C ATOM 1434 NH1 ARG A 94 9.687 -1.329 -6.543 1.00 14.02 N ATOM 1435 NH2 ARG A 94 11.797 -0.609 -7.084 1.00 54.02 N ATOM 0 H ARG A 94 8.052 1.827 0.387 1.00 52.33 H new ATOM 0 HA ARG A 94 10.531 0.289 0.021 1.00 55.21 H new ATOM 0 HB2 ARG A 94 8.685 -0.253 -1.525 1.00 53.33 H new ATOM 0 HB3 ARG A 94 8.591 1.423 -2.027 1.00 53.33 H new ATOM 0 HG2 ARG A 94 11.008 1.259 -2.776 1.00 4.34 H new ATOM 0 HG3 ARG A 94 10.953 -0.455 -2.415 1.00 4.34 H new ATOM 0 HD2 ARG A 94 9.232 -0.823 -4.092 1.00 23.22 H new ATOM 0 HD3 ARG A 94 9.047 0.900 -4.354 1.00 23.22 H new ATOM 0 HE ARG A 94 11.670 0.635 -4.942 1.00 62.45 H new ATOM 0 HH11 ARG A 94 8.890 -1.336 -5.907 1.00 14.02 H new ATOM 0 HH12 ARG A 94 9.652 -1.865 -7.410 1.00 14.02 H new ATOM 0 HH21 ARG A 94 12.628 -0.060 -6.865 1.00 54.02 H new ATOM 0 HH22 ARG A 94 11.755 -1.148 -7.949 1.00 54.02 H new ATOM 1449 N SER A 95 11.977 2.218 -0.706 1.00 14.54 N ATOM 1450 CA SER A 95 12.826 3.345 -1.040 1.00 35.04 C ATOM 1451 C SER A 95 12.567 3.772 -2.481 1.00 5.04 C ATOM 1452 O SER A 95 11.997 3.012 -3.271 1.00 62.31 O ATOM 1453 CB SER A 95 14.295 2.972 -0.842 1.00 10.34 C ATOM 1454 OG SER A 95 14.522 2.516 0.481 1.00 40.51 O ATOM 0 H SER A 95 12.468 1.328 -0.622 1.00 14.54 H new ATOM 0 HA SER A 95 12.594 4.181 -0.380 1.00 35.04 H new ATOM 0 HB2 SER A 95 14.577 2.196 -1.553 1.00 10.34 H new ATOM 0 HB3 SER A 95 14.926 3.837 -1.047 1.00 10.34 H new ATOM 0 HG SER A 95 15.467 2.280 0.588 1.00 40.51 H new ATOM 1460 N ASP A 96 12.984 4.980 -2.826 1.00 45.31 N ATOM 1461 CA ASP A 96 12.718 5.535 -4.150 1.00 33.32 C ATOM 1462 C ASP A 96 13.708 4.983 -5.172 1.00 33.51 C ATOM 1463 O ASP A 96 14.359 5.735 -5.901 1.00 44.34 O ATOM 1464 CB ASP A 96 12.795 7.063 -4.110 1.00 41.21 C ATOM 1465 CG ASP A 96 11.941 7.657 -3.009 1.00 63.14 C ATOM 1466 OD1 ASP A 96 10.696 7.596 -3.107 1.00 34.13 O ATOM 1467 OD2 ASP A 96 12.515 8.169 -2.021 1.00 34.15 O ATOM 0 H ASP A 96 13.509 5.599 -2.208 1.00 45.31 H new ATOM 0 HA ASP A 96 11.712 5.242 -4.451 1.00 33.32 H new ATOM 0 HB2 ASP A 96 13.832 7.368 -3.966 1.00 41.21 H new ATOM 0 HB3 ASP A 96 12.475 7.465 -5.071 1.00 41.21 H new ATOM 1472 N ASP A 97 13.808 3.664 -5.221 1.00 42.15 N ATOM 1473 CA ASP A 97 14.731 2.985 -6.116 1.00 21.24 C ATOM 1474 C ASP A 97 14.150 1.642 -6.525 1.00 53.31 C ATOM 1475 O ASP A 97 13.781 1.481 -7.701 1.00 0.00 O ATOM 1476 CB ASP A 97 16.086 2.785 -5.432 1.00 44.52 C ATOM 1477 CG ASP A 97 17.140 2.241 -6.373 1.00 34.00 C ATOM 1478 OD1 ASP A 97 17.643 3.020 -7.212 1.00 42.11 O ATOM 1479 OD2 ASP A 97 17.494 1.047 -6.262 1.00 11.05 O ATOM 1480 OXT ASP A 97 14.015 0.764 -5.650 1.00 0.00 O ATOM 0 H ASP A 97 13.252 3.035 -4.642 1.00 42.15 H new ATOM 0 HA ASP A 97 14.879 3.599 -7.005 1.00 21.24 H new ATOM 0 HB2 ASP A 97 16.426 3.736 -5.023 1.00 44.52 H new ATOM 0 HB3 ASP A 97 15.967 2.101 -4.592 1.00 44.52 H new TER 1485 ASP A 97