USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 807 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 848 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Set 1.2: A 891 TYR OH : rot 49:sc= 0.0478 USER MOD Set 2.1: A 840 MET CE :methyl -139:sc= -1.9 (180deg=-5.05!) USER MOD Set 2.2: A 881 MET CE :methyl -179:sc= -5.06! (180deg=-4.95!) USER MOD Set 3.1: A 845 THR OG1 : rot -114:sc= 0.356 USER MOD Set 3.2: A 892 ASN : amide:sc= -0.649 X(o=-0.29,f=-0.19) USER MOD Single : A 802 SER OG : rot 37:sc= 0.531 USER MOD Single : A 803 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 805 SER OG : rot 180:sc= 0 USER MOD Single : A 806 SER OG : rot 180:sc= 0 USER MOD Single : A 809 GLN : amide:sc= -1.8 X(o=-1.8,f=-2) USER MOD Single : A 810 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 811 LYS NZ :NH3+ -154:sc= -0.0316 (180deg=-0.845) USER MOD Single : A 813 THR OG1 : rot 180:sc= -0.0146 USER MOD Single : A 817 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 180:sc= 0 USER MOD Single : A 821 THR OG1 : rot 180:sc= 0 USER MOD Single : A 826 GLN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 829 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 844 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 847 SER OG : rot 1:sc= 0.965 USER MOD Single : A 849 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -0.0153 USER MOD Single : A 857 ASN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 858 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.23) USER MOD Single : A 860 LYS NZ :NH3+ 123:sc= -0.125 (180deg=-0.713) USER MOD Single : A 864 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ -164:sc= -0.0595 (180deg=-0.228) USER MOD Single : A 870 LYS NZ :NH3+ 161:sc= -0.0207 (180deg=-0.126) USER MOD Single : A 874 SER OG : rot 130:sc= -0.51 USER MOD Single : A 880 TYR OH : rot 180:sc= 0 USER MOD Single : A 885 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 887 ASN : amide:sc= -4.09! C(o=-4.1!,f=-9.8!) USER MOD Single : A 889 ASN : amide:sc= -1.19 K(o=-1.2,f=-3.6!) USER MOD Single : A 890 GLN :FLIP amide:sc= 0.875 F(o=-0.53,f=0.87) USER MOD Single : A 893 TYR OH : rot 180:sc= 0 USER MOD Single : A 896 SER OG : rot 180:sc= 0 USER MOD Single : A 899 SER OG : rot 26:sc= 0.00673 USER MOD Single : A 900 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 801 -34.381 -3.052 -3.912 1.00 0.00 N ATOM 2 CA GLY A 801 -33.043 -3.238 -4.444 1.00 0.00 C ATOM 3 C GLY A 801 -31.978 -3.177 -3.368 1.00 0.00 C ATOM 4 O GLY A 801 -32.288 -3.167 -2.177 1.00 0.00 O ATOM 0 HA2 GLY A 801 -32.988 -4.201 -4.951 1.00 0.00 H new ATOM 0 HA3 GLY A 801 -32.843 -2.471 -5.193 1.00 0.00 H new ATOM 8 N SER A 802 -30.717 -3.137 -3.787 1.00 0.00 N ATOM 9 CA SER A 802 -29.601 -3.082 -2.850 1.00 0.00 C ATOM 10 C SER A 802 -28.289 -2.816 -3.582 1.00 0.00 C ATOM 11 O SER A 802 -27.819 -3.649 -4.358 1.00 0.00 O ATOM 12 CB SER A 802 -29.503 -4.390 -2.063 1.00 0.00 C ATOM 13 OG SER A 802 -29.351 -5.498 -2.934 1.00 0.00 O ATOM 0 H SER A 802 -30.443 -3.142 -4.769 1.00 0.00 H new ATOM 0 HA SER A 802 -29.782 -2.261 -2.156 1.00 0.00 H new ATOM 0 HB2 SER A 802 -28.657 -4.343 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 802 -30.399 -4.521 -1.456 1.00 0.00 H new ATOM 0 HG SER A 802 -28.790 -5.241 -3.696 1.00 0.00 H new ATOM 19 N SER A 803 -27.704 -1.650 -3.330 1.00 0.00 N ATOM 20 CA SER A 803 -26.448 -1.271 -3.968 1.00 0.00 C ATOM 21 C SER A 803 -25.650 -0.324 -3.077 1.00 0.00 C ATOM 22 O SER A 803 -26.140 0.137 -2.047 1.00 0.00 O ATOM 23 CB SER A 803 -26.717 -0.611 -5.321 1.00 0.00 C ATOM 24 OG SER A 803 -25.544 -0.577 -6.115 1.00 0.00 O ATOM 0 H SER A 803 -28.079 -0.951 -2.689 1.00 0.00 H new ATOM 0 HA SER A 803 -25.861 -2.176 -4.124 1.00 0.00 H new ATOM 0 HB2 SER A 803 -27.500 -1.158 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 803 -27.085 0.403 -5.167 1.00 0.00 H new ATOM 0 HG SER A 803 -25.743 -0.152 -6.975 1.00 0.00 H new ATOM 30 N GLY A 804 -24.417 -0.038 -3.482 1.00 0.00 N ATOM 31 CA GLY A 804 -23.570 0.853 -2.710 1.00 0.00 C ATOM 32 C GLY A 804 -22.387 1.365 -3.509 1.00 0.00 C ATOM 33 O GLY A 804 -21.873 0.670 -4.385 1.00 0.00 O ATOM 0 H GLY A 804 -23.989 -0.407 -4.331 1.00 0.00 H new ATOM 0 HA2 GLY A 804 -24.162 1.699 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 804 -23.208 0.329 -1.825 1.00 0.00 H new ATOM 37 N SER A 805 -21.956 2.585 -3.207 1.00 0.00 N ATOM 38 CA SER A 805 -20.830 3.193 -3.907 1.00 0.00 C ATOM 39 C SER A 805 -20.299 4.399 -3.138 1.00 0.00 C ATOM 40 O SER A 805 -21.069 5.218 -2.637 1.00 0.00 O ATOM 41 CB SER A 805 -21.247 3.616 -5.317 1.00 0.00 C ATOM 42 OG SER A 805 -20.135 4.090 -6.057 1.00 0.00 O ATOM 0 H SER A 805 -22.369 3.172 -2.482 1.00 0.00 H new ATOM 0 HA SER A 805 -20.035 2.451 -3.978 1.00 0.00 H new ATOM 0 HB2 SER A 805 -21.699 2.770 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 805 -22.007 4.395 -5.257 1.00 0.00 H new ATOM 0 HG SER A 805 -20.427 4.352 -6.955 1.00 0.00 H new ATOM 48 N SER A 806 -18.977 4.500 -3.049 1.00 0.00 N ATOM 49 CA SER A 806 -18.341 5.603 -2.339 1.00 0.00 C ATOM 50 C SER A 806 -16.869 5.721 -2.723 1.00 0.00 C ATOM 51 O SER A 806 -16.354 4.921 -3.502 1.00 0.00 O ATOM 52 CB SER A 806 -18.470 5.406 -0.827 1.00 0.00 C ATOM 53 OG SER A 806 -17.937 4.155 -0.429 1.00 0.00 O ATOM 0 H SER A 806 -18.325 3.831 -3.460 1.00 0.00 H new ATOM 0 HA SER A 806 -18.848 6.525 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 806 -17.948 6.209 -0.307 1.00 0.00 H new ATOM 0 HB3 SER A 806 -19.519 5.467 -0.537 1.00 0.00 H new ATOM 0 HG SER A 806 -18.030 4.054 0.541 1.00 0.00 H new ATOM 59 N GLY A 807 -16.198 6.727 -2.170 1.00 0.00 N ATOM 60 CA GLY A 807 -14.792 6.933 -2.467 1.00 0.00 C ATOM 61 C GLY A 807 -14.532 8.260 -3.152 1.00 0.00 C ATOM 62 O GLY A 807 -14.938 8.465 -4.296 1.00 0.00 O ATOM 0 H GLY A 807 -16.603 7.403 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 807 -14.218 6.887 -1.542 1.00 0.00 H new ATOM 0 HA3 GLY A 807 -14.436 6.123 -3.104 1.00 0.00 H new ATOM 66 N ILE A 808 -13.856 9.163 -2.450 1.00 0.00 N ATOM 67 CA ILE A 808 -13.543 10.477 -2.998 1.00 0.00 C ATOM 68 C ILE A 808 -12.373 11.117 -2.259 1.00 0.00 C ATOM 69 O ILE A 808 -12.222 10.945 -1.050 1.00 0.00 O ATOM 70 CB ILE A 808 -14.759 11.421 -2.926 1.00 0.00 C ATOM 71 CG1 ILE A 808 -14.434 12.757 -3.597 1.00 0.00 C ATOM 72 CG2 ILE A 808 -15.178 11.635 -1.480 1.00 0.00 C ATOM 73 CD1 ILE A 808 -13.779 13.755 -2.668 1.00 0.00 C ATOM 0 H ILE A 808 -13.515 9.009 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 808 -13.271 10.326 -4.043 1.00 0.00 H new ATOM 0 HB ILE A 808 -15.591 10.961 -3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 808 -13.775 12.577 -4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 808 -15.353 13.189 -3.992 1.00 0.00 H new ATOM 0 HG21 ILE A 808 -16.038 12.304 -1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 808 -15.445 10.677 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 808 -14.352 12.077 -0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 808 -13.577 14.679 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 808 -14.445 13.964 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 808 -12.843 13.342 -2.293 1.00 0.00 H new ATOM 85 N GLN A 809 -11.549 11.856 -2.994 1.00 0.00 N ATOM 86 CA GLN A 809 -10.393 12.523 -2.407 1.00 0.00 C ATOM 87 C GLN A 809 -9.852 13.600 -3.343 1.00 0.00 C ATOM 88 O GLN A 809 -9.767 13.398 -4.554 1.00 0.00 O ATOM 89 CB GLN A 809 -9.295 11.505 -2.094 1.00 0.00 C ATOM 90 CG GLN A 809 -9.196 10.383 -3.116 1.00 0.00 C ATOM 91 CD GLN A 809 -10.079 9.200 -2.771 1.00 0.00 C ATOM 92 OE1 GLN A 809 -10.057 8.702 -1.645 1.00 0.00 O ATOM 93 NE2 GLN A 809 -10.863 8.743 -3.740 1.00 0.00 N ATOM 0 H GLN A 809 -11.660 12.008 -3.996 1.00 0.00 H new ATOM 0 HA GLN A 809 -10.712 13.000 -1.480 1.00 0.00 H new ATOM 0 HB2 GLN A 809 -8.337 12.022 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 809 -9.481 11.074 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 809 -9.475 10.765 -4.098 1.00 0.00 H new ATOM 0 HG3 GLN A 809 -8.160 10.050 -3.186 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -10.849 9.186 -4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 809 -11.479 7.949 -3.566 1.00 0.00 H new ATOM 102 N MET A 810 -9.489 14.744 -2.773 1.00 0.00 N ATOM 103 CA MET A 810 -8.956 15.853 -3.556 1.00 0.00 C ATOM 104 C MET A 810 -7.471 15.653 -3.840 1.00 0.00 C ATOM 105 O MET A 810 -6.717 15.210 -2.973 1.00 0.00 O ATOM 106 CB MET A 810 -9.174 17.176 -2.821 1.00 0.00 C ATOM 107 CG MET A 810 -10.575 17.741 -2.988 1.00 0.00 C ATOM 108 SD MET A 810 -11.859 16.565 -2.520 1.00 0.00 S ATOM 109 CE MET A 810 -12.080 16.975 -0.791 1.00 0.00 C ATOM 0 H MET A 810 -9.554 14.928 -1.772 1.00 0.00 H new ATOM 0 HA MET A 810 -9.488 15.883 -4.507 1.00 0.00 H new ATOM 0 HB2 MET A 810 -8.975 17.029 -1.759 1.00 0.00 H new ATOM 0 HB3 MET A 810 -8.451 17.907 -3.183 1.00 0.00 H new ATOM 0 HG2 MET A 810 -10.674 18.641 -2.382 1.00 0.00 H new ATOM 0 HG3 MET A 810 -10.721 18.038 -4.026 1.00 0.00 H new ATOM 0 HE1 MET A 810 -12.846 16.330 -0.359 1.00 0.00 H new ATOM 0 HE2 MET A 810 -11.140 16.828 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 810 -12.389 18.016 -0.701 1.00 0.00 H new ATOM 119 N LYS A 811 -7.056 15.982 -5.059 1.00 0.00 N ATOM 120 CA LYS A 811 -5.661 15.841 -5.457 1.00 0.00 C ATOM 121 C LYS A 811 -4.761 16.742 -4.617 1.00 0.00 C ATOM 122 O LYS A 811 -5.072 17.912 -4.397 1.00 0.00 O ATOM 123 CB LYS A 811 -5.496 16.177 -6.941 1.00 0.00 C ATOM 124 CG LYS A 811 -4.063 16.069 -7.433 1.00 0.00 C ATOM 125 CD LYS A 811 -3.621 14.620 -7.547 1.00 0.00 C ATOM 126 CE LYS A 811 -3.921 14.052 -8.926 1.00 0.00 C ATOM 127 NZ LYS A 811 -5.279 13.445 -8.991 1.00 0.00 N ATOM 0 H LYS A 811 -7.667 16.349 -5.789 1.00 0.00 H new ATOM 0 HA LYS A 811 -5.365 14.805 -5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -6.125 15.508 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -5.857 17.190 -7.118 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -3.973 16.555 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -3.401 16.600 -6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -2.552 14.548 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -4.128 14.023 -6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -3.841 14.844 -9.671 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -3.174 13.300 -9.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -5.298 12.714 -9.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -5.511 13.015 -8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -5.978 14.182 -9.215 1.00 0.00 H new ATOM 141 N GLU A 812 -3.645 16.188 -4.153 1.00 0.00 N ATOM 142 CA GLU A 812 -2.701 16.944 -3.338 1.00 0.00 C ATOM 143 C GLU A 812 -2.567 18.376 -3.847 1.00 0.00 C ATOM 144 O GLU A 812 -2.773 18.649 -5.030 1.00 0.00 O ATOM 145 CB GLU A 812 -1.331 16.260 -3.339 1.00 0.00 C ATOM 146 CG GLU A 812 -1.327 14.905 -2.653 1.00 0.00 C ATOM 147 CD GLU A 812 -0.253 13.981 -3.194 1.00 0.00 C ATOM 148 OE1 GLU A 812 -0.324 13.625 -4.389 1.00 0.00 O ATOM 149 OE2 GLU A 812 0.657 13.613 -2.422 1.00 0.00 O ATOM 0 H GLU A 812 -3.373 15.220 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 812 -3.084 16.974 -2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -0.996 16.137 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -0.609 16.910 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -1.176 15.044 -1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -2.302 14.435 -2.779 1.00 0.00 H new ATOM 156 N THR A 813 -2.220 19.289 -2.945 1.00 0.00 N ATOM 157 CA THR A 813 -2.061 20.693 -3.300 1.00 0.00 C ATOM 158 C THR A 813 -1.031 21.373 -2.406 1.00 0.00 C ATOM 159 O THR A 813 -0.778 20.930 -1.285 1.00 0.00 O ATOM 160 CB THR A 813 -3.396 21.454 -3.197 1.00 0.00 C ATOM 161 OG1 THR A 813 -3.223 22.808 -3.630 1.00 0.00 O ATOM 162 CG2 THR A 813 -3.921 21.435 -1.769 1.00 0.00 C ATOM 0 H THR A 813 -2.044 19.080 -1.962 1.00 0.00 H new ATOM 0 HA THR A 813 -1.715 20.720 -4.333 1.00 0.00 H new ATOM 0 HB THR A 813 -4.122 20.958 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 813 -4.077 23.284 -3.563 1.00 0.00 H new ATOM 0 HG21 THR A 813 -4.865 21.979 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 813 -4.080 20.404 -1.453 1.00 0.00 H new ATOM 0 HG23 THR A 813 -3.195 21.909 -1.108 1.00 0.00 H new ATOM 170 N VAL A 814 -0.440 22.453 -2.907 1.00 0.00 N ATOM 171 CA VAL A 814 0.562 23.196 -2.151 1.00 0.00 C ATOM 172 C VAL A 814 -0.093 24.197 -1.207 1.00 0.00 C ATOM 173 O VAL A 814 -0.905 25.021 -1.626 1.00 0.00 O ATOM 174 CB VAL A 814 1.528 23.946 -3.087 1.00 0.00 C ATOM 175 CG1 VAL A 814 2.356 22.963 -3.900 1.00 0.00 C ATOM 176 CG2 VAL A 814 0.760 24.890 -4.000 1.00 0.00 C ATOM 0 H VAL A 814 -0.637 22.833 -3.833 1.00 0.00 H new ATOM 0 HA VAL A 814 1.125 22.467 -1.569 1.00 0.00 H new ATOM 0 HB VAL A 814 2.208 24.540 -2.477 1.00 0.00 H new ATOM 0 HG11 VAL A 814 3.032 23.512 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL A 814 2.936 22.332 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 814 1.694 22.340 -4.502 1.00 0.00 H new ATOM 0 HG21 VAL A 814 1.458 25.412 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 814 0.055 24.319 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 814 0.216 25.617 -3.397 1.00 0.00 H new ATOM 186 N GLU A 815 0.267 24.120 0.071 1.00 0.00 N ATOM 187 CA GLU A 815 -0.287 25.020 1.076 1.00 0.00 C ATOM 188 C GLU A 815 0.627 25.102 2.295 1.00 0.00 C ATOM 189 O GLU A 815 0.813 24.119 3.011 1.00 0.00 O ATOM 190 CB GLU A 815 -1.680 24.552 1.499 1.00 0.00 C ATOM 191 CG GLU A 815 -1.692 23.170 2.132 1.00 0.00 C ATOM 192 CD GLU A 815 -3.094 22.618 2.301 1.00 0.00 C ATOM 193 OE1 GLU A 815 -3.648 22.093 1.313 1.00 0.00 O ATOM 194 OE2 GLU A 815 -3.638 22.711 3.422 1.00 0.00 O ATOM 0 H GLU A 815 0.939 23.444 0.434 1.00 0.00 H new ATOM 0 HA GLU A 815 -0.365 26.014 0.634 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -2.096 25.270 2.206 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -2.333 24.548 0.627 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -1.109 22.487 1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -1.204 23.216 3.106 1.00 0.00 H new ATOM 201 N GLU A 816 1.194 26.283 2.524 1.00 0.00 N ATOM 202 CA GLU A 816 2.090 26.493 3.655 1.00 0.00 C ATOM 203 C GLU A 816 1.298 26.760 4.932 1.00 0.00 C ATOM 204 O GLU A 816 0.351 27.546 4.934 1.00 0.00 O ATOM 205 CB GLU A 816 3.037 27.661 3.375 1.00 0.00 C ATOM 206 CG GLU A 816 3.965 27.423 2.195 1.00 0.00 C ATOM 207 CD GLU A 816 4.542 28.710 1.638 1.00 0.00 C ATOM 208 OE1 GLU A 816 4.991 29.555 2.441 1.00 0.00 O ATOM 209 OE2 GLU A 816 4.545 28.873 0.400 1.00 0.00 O ATOM 0 H GLU A 816 1.049 27.108 1.942 1.00 0.00 H new ATOM 0 HA GLU A 816 2.677 25.585 3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 816 2.448 28.559 3.188 1.00 0.00 H new ATOM 0 HB3 GLU A 816 3.636 27.853 4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 816 4.779 26.768 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 816 3.419 26.903 1.408 1.00 0.00 H new ATOM 216 N GLN A 817 1.694 26.100 6.016 1.00 0.00 N ATOM 217 CA GLN A 817 1.021 26.265 7.299 1.00 0.00 C ATOM 218 C GLN A 817 1.821 25.611 8.421 1.00 0.00 C ATOM 219 O GLN A 817 2.662 24.747 8.175 1.00 0.00 O ATOM 220 CB GLN A 817 -0.385 25.666 7.242 1.00 0.00 C ATOM 221 CG GLN A 817 -0.397 24.157 7.060 1.00 0.00 C ATOM 222 CD GLN A 817 -1.800 23.590 6.976 1.00 0.00 C ATOM 223 OE1 GLN A 817 -2.614 24.036 6.167 1.00 0.00 O ATOM 224 NE2 GLN A 817 -2.091 22.601 7.812 1.00 0.00 N ATOM 0 H GLN A 817 2.477 25.446 6.031 1.00 0.00 H new ATOM 0 HA GLN A 817 0.945 27.332 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 817 -0.915 25.917 8.161 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -0.934 26.127 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 817 0.149 23.900 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 817 0.130 23.690 7.892 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -1.386 22.262 8.466 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -3.020 22.180 7.800 1.00 0.00 H new ATOM 233 N ALA A 818 1.552 26.029 9.654 1.00 0.00 N ATOM 234 CA ALA A 818 2.245 25.482 10.814 1.00 0.00 C ATOM 235 C ALA A 818 1.361 24.492 11.565 1.00 0.00 C ATOM 236 O ALA A 818 0.537 24.884 12.390 1.00 0.00 O ATOM 237 CB ALA A 818 2.689 26.604 11.740 1.00 0.00 C ATOM 0 H ALA A 818 0.859 26.744 9.875 1.00 0.00 H new ATOM 0 HA ALA A 818 3.126 24.946 10.461 1.00 0.00 H new ATOM 0 HB1 ALA A 818 3.205 26.181 12.602 1.00 0.00 H new ATOM 0 HB2 ALA A 818 3.364 27.272 11.205 1.00 0.00 H new ATOM 0 HB3 ALA A 818 1.817 27.164 12.078 1.00 0.00 H new ATOM 243 N SER A 819 1.539 23.207 11.272 1.00 0.00 N ATOM 244 CA SER A 819 0.754 22.161 11.917 1.00 0.00 C ATOM 245 C SER A 819 1.643 20.994 12.334 1.00 0.00 C ATOM 246 O SER A 819 2.614 20.662 11.652 1.00 0.00 O ATOM 247 CB SER A 819 -0.347 21.667 10.976 1.00 0.00 C ATOM 248 OG SER A 819 -1.205 20.750 11.633 1.00 0.00 O ATOM 0 H SER A 819 2.219 22.866 10.593 1.00 0.00 H new ATOM 0 HA SER A 819 0.296 22.584 12.811 1.00 0.00 H new ATOM 0 HB2 SER A 819 -0.926 22.515 10.612 1.00 0.00 H new ATOM 0 HB3 SER A 819 0.102 21.190 10.105 1.00 0.00 H new ATOM 0 HG SER A 819 -1.901 20.450 11.012 1.00 0.00 H new ATOM 254 N THR A 820 1.305 20.374 13.460 1.00 0.00 N ATOM 255 CA THR A 820 2.072 19.244 13.971 1.00 0.00 C ATOM 256 C THR A 820 1.343 18.560 15.121 1.00 0.00 C ATOM 257 O THR A 820 1.013 19.192 16.125 1.00 0.00 O ATOM 258 CB THR A 820 3.468 19.685 14.452 1.00 0.00 C ATOM 259 OG1 THR A 820 4.207 18.549 14.915 1.00 0.00 O ATOM 260 CG2 THR A 820 3.356 20.713 15.568 1.00 0.00 C ATOM 0 H THR A 820 0.505 20.635 14.036 1.00 0.00 H new ATOM 0 HA THR A 820 2.185 18.540 13.147 1.00 0.00 H new ATOM 0 HB THR A 820 3.991 20.141 13.611 1.00 0.00 H new ATOM 0 HG1 THR A 820 5.094 18.837 15.217 1.00 0.00 H new ATOM 0 HG21 THR A 820 4.354 21.009 15.891 1.00 0.00 H new ATOM 0 HG22 THR A 820 2.818 21.588 15.204 1.00 0.00 H new ATOM 0 HG23 THR A 820 2.816 20.279 16.410 1.00 0.00 H new ATOM 268 N THR A 821 1.095 17.262 14.970 1.00 0.00 N ATOM 269 CA THR A 821 0.405 16.491 15.996 1.00 0.00 C ATOM 270 C THR A 821 1.247 15.306 16.453 1.00 0.00 C ATOM 271 O THR A 821 2.341 15.076 15.939 1.00 0.00 O ATOM 272 CB THR A 821 -0.956 15.976 15.491 1.00 0.00 C ATOM 273 OG1 THR A 821 -0.831 15.500 14.147 1.00 0.00 O ATOM 274 CG2 THR A 821 -2.007 17.074 15.550 1.00 0.00 C ATOM 0 H THR A 821 1.362 16.723 14.146 1.00 0.00 H new ATOM 0 HA THR A 821 0.241 17.162 16.839 1.00 0.00 H new ATOM 0 HB THR A 821 -1.272 15.158 16.138 1.00 0.00 H new ATOM 0 HG1 THR A 821 -1.700 15.173 13.834 1.00 0.00 H new ATOM 0 HG21 THR A 821 -2.959 16.686 15.188 1.00 0.00 H new ATOM 0 HG22 THR A 821 -2.121 17.414 16.579 1.00 0.00 H new ATOM 0 HG23 THR A 821 -1.695 17.910 14.925 1.00 0.00 H new ATOM 282 N GLU A 822 0.730 14.556 17.422 1.00 0.00 N ATOM 283 CA GLU A 822 1.436 13.394 17.947 1.00 0.00 C ATOM 284 C GLU A 822 0.813 12.100 17.432 1.00 0.00 C ATOM 285 O GLU A 822 1.516 11.201 16.969 1.00 0.00 O ATOM 286 CB GLU A 822 1.418 13.408 19.477 1.00 0.00 C ATOM 287 CG GLU A 822 2.271 12.318 20.105 1.00 0.00 C ATOM 288 CD GLU A 822 2.262 12.371 21.621 1.00 0.00 C ATOM 289 OE1 GLU A 822 2.876 13.299 22.186 1.00 0.00 O ATOM 290 OE2 GLU A 822 1.640 11.483 22.241 1.00 0.00 O ATOM 0 H GLU A 822 -0.175 14.733 17.859 1.00 0.00 H new ATOM 0 HA GLU A 822 2.469 13.442 17.602 1.00 0.00 H new ATOM 0 HB2 GLU A 822 1.768 14.379 19.827 1.00 0.00 H new ATOM 0 HB3 GLU A 822 0.390 13.297 19.821 1.00 0.00 H new ATOM 0 HG2 GLU A 822 1.908 11.344 19.777 1.00 0.00 H new ATOM 0 HG3 GLU A 822 3.296 12.413 19.748 1.00 0.00 H new ATOM 297 N ARG A 823 -0.511 12.012 17.516 1.00 0.00 N ATOM 298 CA ARG A 823 -1.229 10.828 17.061 1.00 0.00 C ATOM 299 C ARG A 823 -0.694 10.353 15.713 1.00 0.00 C ATOM 300 O ARG A 823 -0.686 9.157 15.423 1.00 0.00 O ATOM 301 CB ARG A 823 -2.726 11.124 16.952 1.00 0.00 C ATOM 302 CG ARG A 823 -3.497 10.840 18.231 1.00 0.00 C ATOM 303 CD ARG A 823 -4.807 11.611 18.275 1.00 0.00 C ATOM 304 NE ARG A 823 -5.834 10.902 19.033 1.00 0.00 N ATOM 305 CZ ARG A 823 -6.330 9.723 18.674 1.00 0.00 C ATOM 306 NH1 ARG A 823 -5.895 9.124 17.575 1.00 0.00 N ATOM 307 NH2 ARG A 823 -7.263 9.141 19.417 1.00 0.00 N ATOM 0 H ARG A 823 -1.108 12.747 17.895 1.00 0.00 H new ATOM 0 HA ARG A 823 -1.075 10.036 17.794 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -2.862 12.171 16.680 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -3.148 10.527 16.143 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -3.700 9.772 18.305 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -2.886 11.109 19.093 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -4.637 12.590 18.723 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -5.161 11.783 17.258 1.00 0.00 H new ATOM 0 HE ARG A 823 -6.190 11.336 19.885 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -5.177 9.568 17.002 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -6.278 8.219 17.302 1.00 0.00 H new ATOM 0 HH21 ARG A 823 -7.600 9.599 20.264 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -7.644 8.236 19.141 1.00 0.00 H new ATOM 321 N VAL A 824 -0.249 11.300 14.892 1.00 0.00 N ATOM 322 CA VAL A 824 0.288 10.978 13.575 1.00 0.00 C ATOM 323 C VAL A 824 1.497 10.057 13.684 1.00 0.00 C ATOM 324 O VAL A 824 1.618 9.083 12.941 1.00 0.00 O ATOM 325 CB VAL A 824 0.694 12.251 12.809 1.00 0.00 C ATOM 326 CG1 VAL A 824 1.653 13.091 13.638 1.00 0.00 C ATOM 327 CG2 VAL A 824 1.312 11.890 11.466 1.00 0.00 C ATOM 0 H VAL A 824 -0.250 12.295 15.116 1.00 0.00 H new ATOM 0 HA VAL A 824 -0.504 10.469 13.026 1.00 0.00 H new ATOM 0 HB VAL A 824 -0.202 12.844 12.624 1.00 0.00 H new ATOM 0 HG11 VAL A 824 1.928 13.986 13.080 1.00 0.00 H new ATOM 0 HG12 VAL A 824 1.170 13.380 14.572 1.00 0.00 H new ATOM 0 HG13 VAL A 824 2.549 12.510 13.857 1.00 0.00 H new ATOM 0 HG21 VAL A 824 1.593 12.801 10.938 1.00 0.00 H new ATOM 0 HG22 VAL A 824 2.198 11.276 11.627 1.00 0.00 H new ATOM 0 HG23 VAL A 824 0.588 11.334 10.870 1.00 0.00 H new ATOM 337 N PHE A 825 2.391 10.370 14.617 1.00 0.00 N ATOM 338 CA PHE A 825 3.592 9.570 14.824 1.00 0.00 C ATOM 339 C PHE A 825 3.279 8.081 14.718 1.00 0.00 C ATOM 340 O PHE A 825 4.038 7.318 14.121 1.00 0.00 O ATOM 341 CB PHE A 825 4.206 9.878 16.191 1.00 0.00 C ATOM 342 CG PHE A 825 5.200 8.848 16.647 1.00 0.00 C ATOM 343 CD1 PHE A 825 6.346 8.598 15.910 1.00 0.00 C ATOM 344 CD2 PHE A 825 4.988 8.130 17.813 1.00 0.00 C ATOM 345 CE1 PHE A 825 7.263 7.652 16.327 1.00 0.00 C ATOM 346 CE2 PHE A 825 5.902 7.183 18.235 1.00 0.00 C ATOM 347 CZ PHE A 825 7.040 6.943 17.491 1.00 0.00 C ATOM 0 H PHE A 825 2.306 11.172 15.241 1.00 0.00 H new ATOM 0 HA PHE A 825 4.309 9.828 14.045 1.00 0.00 H new ATOM 0 HB2 PHE A 825 4.696 10.851 16.150 1.00 0.00 H new ATOM 0 HB3 PHE A 825 3.408 9.954 16.930 1.00 0.00 H new ATOM 0 HD1 PHE A 825 6.525 9.149 14.999 1.00 0.00 H new ATOM 0 HD2 PHE A 825 4.099 8.312 18.398 1.00 0.00 H new ATOM 0 HE1 PHE A 825 8.153 7.467 15.743 1.00 0.00 H new ATOM 0 HE2 PHE A 825 5.726 6.631 19.146 1.00 0.00 H new ATOM 0 HZ PHE A 825 7.754 6.202 17.819 1.00 0.00 H new ATOM 357 N GLN A 826 2.156 7.675 15.302 1.00 0.00 N ATOM 358 CA GLN A 826 1.743 6.277 15.274 1.00 0.00 C ATOM 359 C GLN A 826 1.435 5.829 13.849 1.00 0.00 C ATOM 360 O GLN A 826 2.075 4.919 13.322 1.00 0.00 O ATOM 361 CB GLN A 826 0.516 6.068 16.164 1.00 0.00 C ATOM 362 CG GLN A 826 0.375 4.646 16.681 1.00 0.00 C ATOM 363 CD GLN A 826 -1.023 4.344 17.184 1.00 0.00 C ATOM 364 OE1 GLN A 826 -1.864 3.831 16.446 1.00 0.00 O ATOM 365 NE2 GLN A 826 -1.278 4.661 18.448 1.00 0.00 N ATOM 0 H GLN A 826 1.516 8.294 15.800 1.00 0.00 H new ATOM 0 HA GLN A 826 2.566 5.673 15.655 1.00 0.00 H new ATOM 0 HB2 GLN A 826 0.572 6.750 17.012 1.00 0.00 H new ATOM 0 HB3 GLN A 826 -0.380 6.332 15.602 1.00 0.00 H new ATOM 0 HG2 GLN A 826 0.629 3.947 15.884 1.00 0.00 H new ATOM 0 HG3 GLN A 826 1.090 4.484 17.488 1.00 0.00 H new ATOM 0 HE21 GLN A 826 -0.551 5.085 19.024 1.00 0.00 H new ATOM 0 HE22 GLN A 826 -2.201 4.481 18.843 1.00 0.00 H new ATOM 374 N ASP A 827 0.450 6.472 13.232 1.00 0.00 N ATOM 375 CA ASP A 827 0.057 6.140 11.868 1.00 0.00 C ATOM 376 C ASP A 827 1.274 6.082 10.950 1.00 0.00 C ATOM 377 O ASP A 827 1.264 5.391 9.932 1.00 0.00 O ATOM 378 CB ASP A 827 -0.948 7.166 11.340 1.00 0.00 C ATOM 379 CG ASP A 827 -1.645 6.696 10.078 1.00 0.00 C ATOM 380 OD1 ASP A 827 -2.036 5.512 10.023 1.00 0.00 O ATOM 381 OD2 ASP A 827 -1.800 7.513 9.146 1.00 0.00 O ATOM 0 H ASP A 827 -0.091 7.226 13.655 1.00 0.00 H new ATOM 0 HA ASP A 827 -0.412 5.156 11.881 1.00 0.00 H new ATOM 0 HB2 ASP A 827 -1.693 7.370 12.109 1.00 0.00 H new ATOM 0 HB3 ASP A 827 -0.433 8.105 11.139 1.00 0.00 H new ATOM 386 N ARG A 828 2.321 6.814 11.318 1.00 0.00 N ATOM 387 CA ARG A 828 3.545 6.848 10.526 1.00 0.00 C ATOM 388 C ARG A 828 4.309 5.533 10.650 1.00 0.00 C ATOM 389 O ARG A 828 4.374 4.751 9.702 1.00 0.00 O ATOM 390 CB ARG A 828 4.433 8.011 10.972 1.00 0.00 C ATOM 391 CG ARG A 828 5.753 8.091 10.222 1.00 0.00 C ATOM 392 CD ARG A 828 6.357 9.484 10.306 1.00 0.00 C ATOM 393 NE ARG A 828 6.838 9.793 11.650 1.00 0.00 N ATOM 394 CZ ARG A 828 7.262 10.996 12.020 1.00 0.00 C ATOM 395 NH1 ARG A 828 7.263 11.999 11.153 1.00 0.00 N ATOM 396 NH2 ARG A 828 7.684 11.199 13.262 1.00 0.00 N ATOM 0 H ARG A 828 2.346 7.391 12.159 1.00 0.00 H new ATOM 0 HA ARG A 828 3.269 6.990 9.481 1.00 0.00 H new ATOM 0 HB2 ARG A 828 3.889 8.946 10.835 1.00 0.00 H new ATOM 0 HB3 ARG A 828 4.636 7.914 12.039 1.00 0.00 H new ATOM 0 HG2 ARG A 828 6.452 7.364 10.635 1.00 0.00 H new ATOM 0 HG3 ARG A 828 5.596 7.824 9.177 1.00 0.00 H new ATOM 0 HD2 ARG A 828 7.182 9.564 9.598 1.00 0.00 H new ATOM 0 HD3 ARG A 828 5.611 10.221 10.010 1.00 0.00 H new ATOM 0 HE ARG A 828 6.849 9.044 12.342 1.00 0.00 H new ATOM 0 HH11 ARG A 828 6.937 11.848 10.198 1.00 0.00 H new ATOM 0 HH12 ARG A 828 7.589 12.922 11.441 1.00 0.00 H new ATOM 0 HH21 ARG A 828 7.683 10.431 13.933 1.00 0.00 H new ATOM 0 HH22 ARG A 828 8.010 12.123 13.545 1.00 0.00 H new ATOM 410 N GLN A 829 4.885 5.298 11.824 1.00 0.00 N ATOM 411 CA GLN A 829 5.646 4.079 12.071 1.00 0.00 C ATOM 412 C GLN A 829 4.968 2.875 11.426 1.00 0.00 C ATOM 413 O GLN A 829 5.629 2.019 10.838 1.00 0.00 O ATOM 414 CB GLN A 829 5.804 3.846 13.574 1.00 0.00 C ATOM 415 CG GLN A 829 4.486 3.850 14.332 1.00 0.00 C ATOM 416 CD GLN A 829 4.644 3.433 15.781 1.00 0.00 C ATOM 417 OE1 GLN A 829 5.728 3.037 16.210 1.00 0.00 O ATOM 418 NE2 GLN A 829 3.561 3.521 16.544 1.00 0.00 N ATOM 0 H GLN A 829 4.839 5.935 12.619 1.00 0.00 H new ATOM 0 HA GLN A 829 6.633 4.200 11.624 1.00 0.00 H new ATOM 0 HB2 GLN A 829 6.303 2.890 13.735 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.453 4.618 13.987 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.051 4.848 14.291 1.00 0.00 H new ATOM 0 HG3 GLN A 829 3.786 3.176 13.838 1.00 0.00 H new ATOM 0 HE21 GLN A 829 2.683 3.855 16.147 1.00 0.00 H new ATOM 0 HE22 GLN A 829 3.607 3.255 17.528 1.00 0.00 H new ATOM 427 N TYR A 830 3.646 2.815 11.541 1.00 0.00 N ATOM 428 CA TYR A 830 2.878 1.714 10.972 1.00 0.00 C ATOM 429 C TYR A 830 2.929 1.745 9.447 1.00 0.00 C ATOM 430 O TYR A 830 3.125 0.715 8.802 1.00 0.00 O ATOM 431 CB TYR A 830 1.425 1.779 11.446 1.00 0.00 C ATOM 432 CG TYR A 830 1.217 1.229 12.839 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.717 -0.017 13.197 1.00 0.00 C ATOM 434 CD2 TYR A 830 0.521 1.956 13.797 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.528 -0.524 14.468 1.00 0.00 C ATOM 436 CE2 TYR A 830 0.329 1.458 15.071 1.00 0.00 C ATOM 437 CZ TYR A 830 0.835 0.218 15.402 1.00 0.00 C ATOM 438 OH TYR A 830 0.645 -0.283 16.670 1.00 0.00 O ATOM 0 H TYR A 830 3.084 3.516 12.023 1.00 0.00 H new ATOM 0 HA TYR A 830 3.323 0.780 11.314 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.089 2.816 11.420 1.00 0.00 H new ATOM 0 HB3 TYR A 830 0.799 1.223 10.748 1.00 0.00 H new ATOM 0 HD1 TYR A 830 2.263 -0.599 12.469 1.00 0.00 H new ATOM 0 HD2 TYR A 830 0.123 2.927 13.541 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.921 -1.496 14.729 1.00 0.00 H new ATOM 0 HE2 TYR A 830 -0.214 2.036 15.804 1.00 0.00 H new ATOM 0 HH TYR A 830 0.139 0.364 17.205 1.00 0.00 H new ATOM 448 N GLN A 831 2.753 2.933 8.880 1.00 0.00 N ATOM 449 CA GLN A 831 2.779 3.099 7.431 1.00 0.00 C ATOM 450 C GLN A 831 4.070 2.538 6.843 1.00 0.00 C ATOM 451 O GLN A 831 4.048 1.835 5.832 1.00 0.00 O ATOM 452 CB GLN A 831 2.637 4.577 7.064 1.00 0.00 C ATOM 453 CG GLN A 831 1.209 5.091 7.152 1.00 0.00 C ATOM 454 CD GLN A 831 0.445 4.917 5.854 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.647 3.945 5.126 1.00 0.00 O ATOM 456 NE2 GLN A 831 -0.440 5.862 5.556 1.00 0.00 N ATOM 0 H GLN A 831 2.591 3.795 9.401 1.00 0.00 H new ATOM 0 HA GLN A 831 1.939 2.546 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.269 5.169 7.726 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.007 4.728 6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 831 0.686 4.565 7.950 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.223 6.147 7.422 1.00 0.00 H new ATOM 0 HE21 GLN A 831 -0.576 6.651 6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 831 -0.984 5.798 4.695 1.00 0.00 H new ATOM 465 N ILE A 832 5.192 2.854 7.480 1.00 0.00 N ATOM 466 CA ILE A 832 6.491 2.381 7.020 1.00 0.00 C ATOM 467 C ILE A 832 6.638 0.879 7.239 1.00 0.00 C ATOM 468 O ILE A 832 6.598 0.096 6.290 1.00 0.00 O ATOM 469 CB ILE A 832 7.642 3.109 7.738 1.00 0.00 C ATOM 470 CG1 ILE A 832 7.654 4.591 7.358 1.00 0.00 C ATOM 471 CG2 ILE A 832 8.975 2.459 7.397 1.00 0.00 C ATOM 472 CD1 ILE A 832 6.591 5.404 8.064 1.00 0.00 C ATOM 0 H ILE A 832 5.227 3.436 8.317 1.00 0.00 H new ATOM 0 HA ILE A 832 6.546 2.597 5.953 1.00 0.00 H new ATOM 0 HB ILE A 832 7.486 3.030 8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 832 8.634 5.009 7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.515 4.683 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 832 9.779 2.985 7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 832 8.963 1.416 7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.140 2.510 6.321 1.00 0.00 H new ATOM 0 HD11 ILE A 832 6.658 6.445 7.747 1.00 0.00 H new ATOM 0 HD12 ILE A 832 5.606 5.011 7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 832 6.742 5.343 9.142 1.00 0.00 H new ATOM 484 N ASP A 833 6.808 0.485 8.496 1.00 0.00 N ATOM 485 CA ASP A 833 6.958 -0.924 8.842 1.00 0.00 C ATOM 486 C ASP A 833 6.024 -1.792 8.004 1.00 0.00 C ATOM 487 O ASP A 833 6.410 -2.862 7.535 1.00 0.00 O ATOM 488 CB ASP A 833 6.677 -1.139 10.330 1.00 0.00 C ATOM 489 CG ASP A 833 6.774 -2.597 10.732 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.410 -3.465 9.911 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.214 -2.871 11.869 1.00 0.00 O ATOM 0 H ASP A 833 6.845 1.121 9.292 1.00 0.00 H new ATOM 0 HA ASP A 833 7.986 -1.217 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.384 -0.555 10.919 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.681 -0.765 10.566 1.00 0.00 H new ATOM 496 N ALA A 834 4.795 -1.323 7.821 1.00 0.00 N ATOM 497 CA ALA A 834 3.806 -2.055 7.039 1.00 0.00 C ATOM 498 C ALA A 834 4.223 -2.147 5.575 1.00 0.00 C ATOM 499 O ALA A 834 4.315 -3.238 5.014 1.00 0.00 O ATOM 500 CB ALA A 834 2.441 -1.394 7.161 1.00 0.00 C ATOM 0 H ALA A 834 4.460 -0.439 8.204 1.00 0.00 H new ATOM 0 HA ALA A 834 3.743 -3.068 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.713 -1.951 6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.133 -1.386 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.498 -0.370 6.792 1.00 0.00 H new ATOM 506 N ALA A 835 4.473 -0.995 4.962 1.00 0.00 N ATOM 507 CA ALA A 835 4.881 -0.946 3.564 1.00 0.00 C ATOM 508 C ALA A 835 6.054 -1.885 3.301 1.00 0.00 C ATOM 509 O ALA A 835 6.103 -2.559 2.272 1.00 0.00 O ATOM 510 CB ALA A 835 5.243 0.478 3.169 1.00 0.00 C ATOM 0 H ALA A 835 4.400 -0.083 5.412 1.00 0.00 H new ATOM 0 HA ALA A 835 4.041 -1.278 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.546 0.499 2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.378 1.126 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.065 0.830 3.792 1.00 0.00 H new ATOM 516 N ILE A 836 6.996 -1.923 4.237 1.00 0.00 N ATOM 517 CA ILE A 836 8.168 -2.779 4.105 1.00 0.00 C ATOM 518 C ILE A 836 7.778 -4.253 4.131 1.00 0.00 C ATOM 519 O ILE A 836 8.070 -5.000 3.197 1.00 0.00 O ATOM 520 CB ILE A 836 9.190 -2.511 5.226 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.574 -1.030 5.252 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.424 -3.381 5.037 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.286 -0.613 6.520 1.00 0.00 C ATOM 0 H ILE A 836 6.971 -1.371 5.095 1.00 0.00 H new ATOM 0 HA ILE A 836 8.624 -2.543 3.144 1.00 0.00 H new ATOM 0 HB ILE A 836 8.733 -2.765 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.215 -0.814 4.397 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.673 -0.427 5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 836 11.137 -3.180 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 836 10.136 -4.432 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.885 -3.155 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.528 0.449 6.469 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.639 -0.797 7.378 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.205 -1.190 6.628 1.00 0.00 H new ATOM 535 N VAL A 837 7.113 -4.665 5.206 1.00 0.00 N ATOM 536 CA VAL A 837 6.679 -6.049 5.353 1.00 0.00 C ATOM 537 C VAL A 837 5.826 -6.486 4.167 1.00 0.00 C ATOM 538 O VAL A 837 5.841 -7.653 3.775 1.00 0.00 O ATOM 539 CB VAL A 837 5.876 -6.251 6.651 1.00 0.00 C ATOM 540 CG1 VAL A 837 5.127 -7.575 6.616 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.795 -6.181 7.862 1.00 0.00 C ATOM 0 H VAL A 837 6.863 -4.060 5.988 1.00 0.00 H new ATOM 0 HA VAL A 837 7.580 -6.661 5.394 1.00 0.00 H new ATOM 0 HB VAL A 837 5.143 -5.449 6.732 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.565 -7.700 7.542 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.439 -7.582 5.771 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.839 -8.393 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 837 6.211 -6.326 8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.553 -6.961 7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 837 7.281 -5.206 7.894 1.00 0.00 H new ATOM 551 N ARG A 838 5.083 -5.541 3.600 1.00 0.00 N ATOM 552 CA ARG A 838 4.222 -5.829 2.459 1.00 0.00 C ATOM 553 C ARG A 838 5.045 -5.997 1.186 1.00 0.00 C ATOM 554 O ARG A 838 4.683 -6.769 0.298 1.00 0.00 O ATOM 555 CB ARG A 838 3.196 -4.709 2.273 1.00 0.00 C ATOM 556 CG ARG A 838 2.033 -4.780 3.249 1.00 0.00 C ATOM 557 CD ARG A 838 0.908 -5.650 2.713 1.00 0.00 C ATOM 558 NE ARG A 838 -0.059 -4.878 1.937 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.922 -4.024 2.477 1.00 0.00 C ATOM 560 NH1 ARG A 838 -0.938 -3.834 3.789 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.770 -3.359 1.704 1.00 0.00 N ATOM 0 H ARG A 838 5.060 -4.570 3.912 1.00 0.00 H new ATOM 0 HA ARG A 838 3.698 -6.764 2.657 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.696 -3.747 2.386 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.808 -4.749 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 838 2.380 -5.179 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 838 1.657 -3.775 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.326 -6.439 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 838 0.399 -6.137 3.545 1.00 0.00 H new ATOM 0 HE ARG A 838 -0.073 -5.001 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.287 -4.344 4.386 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.601 -3.178 4.201 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -1.760 -3.503 0.694 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -2.432 -2.704 2.119 1.00 0.00 H new ATOM 575 N ILE A 839 6.154 -5.268 1.104 1.00 0.00 N ATOM 576 CA ILE A 839 7.028 -5.337 -0.061 1.00 0.00 C ATOM 577 C ILE A 839 7.914 -6.577 -0.010 1.00 0.00 C ATOM 578 O ILE A 839 7.988 -7.339 -0.973 1.00 0.00 O ATOM 579 CB ILE A 839 7.920 -4.086 -0.170 1.00 0.00 C ATOM 580 CG1 ILE A 839 7.061 -2.837 -0.379 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.918 -4.245 -1.306 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.674 -1.579 0.195 1.00 0.00 C ATOM 0 H ILE A 839 6.468 -4.624 1.830 1.00 0.00 H new ATOM 0 HA ILE A 839 6.383 -5.390 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 839 8.475 -3.971 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.894 -2.695 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE A 839 6.084 -2.997 0.078 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.541 -3.353 -1.370 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.548 -5.115 -1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 839 8.382 -4.381 -2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 839 7.011 -0.734 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.816 -1.701 1.269 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.638 -1.395 -0.280 1.00 0.00 H new ATOM 594 N MET A 840 8.584 -6.773 1.121 1.00 0.00 N ATOM 595 CA MET A 840 9.464 -7.922 1.299 1.00 0.00 C ATOM 596 C MET A 840 8.684 -9.227 1.176 1.00 0.00 C ATOM 597 O MET A 840 9.114 -10.157 0.493 1.00 0.00 O ATOM 598 CB MET A 840 10.157 -7.855 2.661 1.00 0.00 C ATOM 599 CG MET A 840 10.849 -6.528 2.926 1.00 0.00 C ATOM 600 SD MET A 840 12.536 -6.484 2.291 1.00 0.00 S ATOM 601 CE MET A 840 13.467 -6.327 3.813 1.00 0.00 C ATOM 0 H MET A 840 8.534 -6.151 1.928 1.00 0.00 H new ATOM 0 HA MET A 840 10.220 -7.895 0.514 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.420 -8.034 3.444 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.892 -8.658 2.726 1.00 0.00 H new ATOM 0 HG2 MET A 840 10.272 -5.724 2.469 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.864 -6.339 3.999 1.00 0.00 H new ATOM 0 HE1 MET A 840 14.282 -5.617 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 840 12.810 -5.970 4.606 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.876 -7.298 4.091 1.00 0.00 H new ATOM 611 N LYS A 841 7.536 -9.290 1.842 1.00 0.00 N ATOM 612 CA LYS A 841 6.695 -10.481 1.806 1.00 0.00 C ATOM 613 C LYS A 841 6.424 -10.914 0.369 1.00 0.00 C ATOM 614 O LYS A 841 6.799 -12.012 -0.039 1.00 0.00 O ATOM 615 CB LYS A 841 5.372 -10.217 2.529 1.00 0.00 C ATOM 616 CG LYS A 841 4.480 -11.442 2.630 1.00 0.00 C ATOM 617 CD LYS A 841 3.297 -11.196 3.552 1.00 0.00 C ATOM 618 CE LYS A 841 2.199 -12.226 3.337 1.00 0.00 C ATOM 619 NZ LYS A 841 1.284 -11.839 2.228 1.00 0.00 N ATOM 0 H LYS A 841 7.166 -8.530 2.413 1.00 0.00 H new ATOM 0 HA LYS A 841 7.226 -11.286 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.583 -9.848 3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.833 -9.427 2.006 1.00 0.00 H new ATOM 0 HG2 LYS A 841 4.119 -11.713 1.638 1.00 0.00 H new ATOM 0 HG3 LYS A 841 5.061 -12.287 3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.630 -11.229 4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.899 -10.197 3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 841 2.648 -13.194 3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 841 1.626 -12.343 4.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.550 -12.567 2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 0.836 -10.927 2.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 1.826 -11.752 1.345 1.00 0.00 H new ATOM 633 N MET A 842 5.772 -10.042 -0.393 1.00 0.00 N ATOM 634 CA MET A 842 5.453 -10.334 -1.786 1.00 0.00 C ATOM 635 C MET A 842 6.706 -10.741 -2.556 1.00 0.00 C ATOM 636 O MET A 842 6.662 -11.633 -3.404 1.00 0.00 O ATOM 637 CB MET A 842 4.805 -9.117 -2.450 1.00 0.00 C ATOM 638 CG MET A 842 3.466 -8.734 -1.840 1.00 0.00 C ATOM 639 SD MET A 842 2.194 -9.981 -2.119 1.00 0.00 S ATOM 640 CE MET A 842 0.720 -8.964 -2.131 1.00 0.00 C ATOM 0 H MET A 842 5.454 -9.128 -0.070 1.00 0.00 H new ATOM 0 HA MET A 842 4.749 -11.166 -1.805 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.485 -8.268 -2.376 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.666 -9.323 -3.511 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.590 -8.581 -0.768 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.137 -7.784 -2.262 1.00 0.00 H new ATOM 0 HE1 MET A 842 -0.155 -9.593 -2.294 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.624 -8.450 -1.174 1.00 0.00 H new ATOM 0 HE3 MET A 842 0.792 -8.228 -2.932 1.00 0.00 H new ATOM 650 N ARG A 843 7.820 -10.081 -2.256 1.00 0.00 N ATOM 651 CA ARG A 843 9.084 -10.373 -2.922 1.00 0.00 C ATOM 652 C ARG A 843 9.937 -11.315 -2.078 1.00 0.00 C ATOM 653 O ARG A 843 10.667 -10.879 -1.188 1.00 0.00 O ATOM 654 CB ARG A 843 9.852 -9.079 -3.196 1.00 0.00 C ATOM 655 CG ARG A 843 9.053 -8.050 -3.980 1.00 0.00 C ATOM 656 CD ARG A 843 8.934 -8.437 -5.446 1.00 0.00 C ATOM 657 NE ARG A 843 10.201 -8.285 -6.156 1.00 0.00 N ATOM 658 CZ ARG A 843 10.294 -8.167 -7.476 1.00 0.00 C ATOM 659 NH1 ARG A 843 9.201 -8.183 -8.225 1.00 0.00 N ATOM 660 NH2 ARG A 843 11.484 -8.032 -8.049 1.00 0.00 N ATOM 0 H ARG A 843 7.873 -9.341 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 843 8.862 -10.862 -3.870 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.159 -8.641 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.762 -9.316 -3.747 1.00 0.00 H new ATOM 0 HG2 ARG A 843 8.058 -7.953 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.533 -7.075 -3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 843 8.598 -9.471 -5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.174 -7.819 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 843 11.062 -8.269 -5.609 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.285 -8.286 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 843 9.276 -8.092 -9.238 1.00 0.00 H new ATOM 0 HH21 ARG A 843 12.328 -8.019 -7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 843 11.555 -7.941 -9.063 1.00 0.00 H new ATOM 674 N LYS A 844 9.840 -12.609 -2.364 1.00 0.00 N ATOM 675 CA LYS A 844 10.603 -13.614 -1.633 1.00 0.00 C ATOM 676 C LYS A 844 11.970 -13.071 -1.227 1.00 0.00 C ATOM 677 O LYS A 844 12.415 -13.263 -0.095 1.00 0.00 O ATOM 678 CB LYS A 844 10.775 -14.873 -2.485 1.00 0.00 C ATOM 679 CG LYS A 844 9.496 -15.676 -2.649 1.00 0.00 C ATOM 680 CD LYS A 844 9.077 -16.329 -1.343 1.00 0.00 C ATOM 681 CE LYS A 844 8.213 -17.557 -1.585 1.00 0.00 C ATOM 682 NZ LYS A 844 6.809 -17.191 -1.920 1.00 0.00 N ATOM 0 H LYS A 844 9.240 -12.987 -3.097 1.00 0.00 H new ATOM 0 HA LYS A 844 10.049 -13.867 -0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.143 -14.587 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.537 -15.507 -2.031 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.698 -15.023 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.642 -16.443 -3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.964 -16.613 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.527 -15.610 -0.736 1.00 0.00 H new ATOM 0 HE2 LYS A 844 8.638 -18.146 -2.398 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.221 -18.188 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.253 -18.056 -2.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.394 -16.651 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.798 -16.610 -2.783 1.00 0.00 H new ATOM 696 N THR A 845 12.631 -12.390 -2.159 1.00 0.00 N ATOM 697 CA THR A 845 13.946 -11.819 -1.898 1.00 0.00 C ATOM 698 C THR A 845 14.100 -10.461 -2.573 1.00 0.00 C ATOM 699 O THR A 845 13.917 -10.334 -3.785 1.00 0.00 O ATOM 700 CB THR A 845 15.071 -12.752 -2.387 1.00 0.00 C ATOM 701 OG1 THR A 845 15.153 -13.905 -1.541 1.00 0.00 O ATOM 702 CG2 THR A 845 16.408 -12.028 -2.397 1.00 0.00 C ATOM 0 H THR A 845 12.277 -12.221 -3.100 1.00 0.00 H new ATOM 0 HA THR A 845 14.028 -11.697 -0.818 1.00 0.00 H new ATOM 0 HB THR A 845 14.838 -13.064 -3.405 1.00 0.00 H new ATOM 0 HG1 THR A 845 16.009 -13.901 -1.065 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.187 -12.707 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.351 -11.168 -3.064 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.646 -11.690 -1.389 1.00 0.00 H new ATOM 710 N LEU A 846 14.436 -9.448 -1.783 1.00 0.00 N ATOM 711 CA LEU A 846 14.615 -8.097 -2.305 1.00 0.00 C ATOM 712 C LEU A 846 15.851 -7.439 -1.700 1.00 0.00 C ATOM 713 O LEU A 846 16.350 -7.869 -0.660 1.00 0.00 O ATOM 714 CB LEU A 846 13.377 -7.248 -2.013 1.00 0.00 C ATOM 715 CG LEU A 846 13.108 -6.097 -2.982 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.639 -6.630 -4.327 1.00 0.00 C ATOM 717 CD2 LEU A 846 12.082 -5.137 -2.399 1.00 0.00 C ATOM 0 H LEU A 846 14.590 -9.536 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 846 14.754 -8.166 -3.384 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.505 -7.903 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.473 -6.836 -1.009 1.00 0.00 H new ATOM 0 HG LEU A 846 14.039 -5.552 -3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.452 -5.796 -5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.408 -7.276 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.720 -7.200 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.903 -4.324 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.149 -5.669 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.458 -4.729 -1.461 1.00 0.00 H new ATOM 729 N SER A 847 16.339 -6.392 -2.357 1.00 0.00 N ATOM 730 CA SER A 847 17.518 -5.675 -1.885 1.00 0.00 C ATOM 731 C SER A 847 17.122 -4.373 -1.196 1.00 0.00 C ATOM 732 O SER A 847 15.945 -4.013 -1.152 1.00 0.00 O ATOM 733 CB SER A 847 18.463 -5.380 -3.051 1.00 0.00 C ATOM 734 OG SER A 847 19.810 -5.324 -2.615 1.00 0.00 O ATOM 0 H SER A 847 15.936 -6.021 -3.218 1.00 0.00 H new ATOM 0 HA SER A 847 18.032 -6.308 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.356 -6.151 -3.814 1.00 0.00 H new ATOM 0 HB3 SER A 847 18.188 -4.433 -3.515 1.00 0.00 H new ATOM 0 HG SER A 847 19.850 -5.499 -1.652 1.00 0.00 H new ATOM 740 N HIS A 848 18.113 -3.670 -0.657 1.00 0.00 N ATOM 741 CA HIS A 848 17.869 -2.407 0.030 1.00 0.00 C ATOM 742 C HIS A 848 17.297 -1.368 -0.929 1.00 0.00 C ATOM 743 O HIS A 848 16.188 -0.874 -0.734 1.00 0.00 O ATOM 744 CB HIS A 848 19.163 -1.884 0.655 1.00 0.00 C ATOM 745 CG HIS A 848 19.003 -0.568 1.352 1.00 0.00 C ATOM 746 ND1 HIS A 848 18.890 -0.450 2.721 1.00 0.00 N ATOM 747 CD2 HIS A 848 18.938 0.692 0.861 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.761 0.825 3.042 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.788 1.539 1.931 1.00 0.00 N ATOM 0 H HIS A 848 19.092 -3.954 -0.683 1.00 0.00 H new ATOM 0 HA HIS A 848 17.139 -2.587 0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.536 -2.620 1.367 1.00 0.00 H new ATOM 0 HB3 HIS A 848 19.918 -1.783 -0.124 1.00 0.00 H new ATOM 0 HD2 HIS A 848 18.994 0.978 -0.179 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.652 1.217 4.042 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.710 2.555 1.877 1.00 0.00 H new ATOM 757 N ASN A 849 18.063 -1.041 -1.965 1.00 0.00 N ATOM 758 CA ASN A 849 17.632 -0.059 -2.954 1.00 0.00 C ATOM 759 C ASN A 849 16.228 -0.375 -3.458 1.00 0.00 C ATOM 760 O ASN A 849 15.375 0.509 -3.548 1.00 0.00 O ATOM 761 CB ASN A 849 18.612 -0.024 -4.128 1.00 0.00 C ATOM 762 CG ASN A 849 19.900 0.700 -3.785 1.00 0.00 C ATOM 763 OD1 ASN A 849 20.505 0.453 -2.742 1.00 0.00 O ATOM 764 ND2 ASN A 849 20.325 1.599 -4.665 1.00 0.00 N ATOM 0 H ASN A 849 18.984 -1.441 -2.141 1.00 0.00 H new ATOM 0 HA ASN A 849 17.614 0.920 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 849 18.843 -1.044 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.138 0.466 -4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 849 21.186 2.117 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 849 19.791 1.771 -5.517 1.00 0.00 H new ATOM 771 N LEU A 850 15.994 -1.641 -3.786 1.00 0.00 N ATOM 772 CA LEU A 850 14.692 -2.076 -4.281 1.00 0.00 C ATOM 773 C LEU A 850 13.615 -1.886 -3.218 1.00 0.00 C ATOM 774 O LEU A 850 12.473 -1.543 -3.530 1.00 0.00 O ATOM 775 CB LEU A 850 14.751 -3.543 -4.708 1.00 0.00 C ATOM 776 CG LEU A 850 15.141 -3.804 -6.164 1.00 0.00 C ATOM 777 CD1 LEU A 850 14.022 -3.379 -7.101 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.433 -3.076 -6.508 1.00 0.00 C ATOM 0 H LEU A 850 16.689 -2.385 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 850 14.436 -1.463 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.463 -4.060 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.774 -3.992 -4.528 1.00 0.00 H new ATOM 0 HG LEU A 850 15.305 -4.874 -6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.318 -3.572 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.120 -3.945 -6.870 1.00 0.00 H new ATOM 0 HD13 LEU A 850 13.825 -2.315 -6.973 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.696 -3.273 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.296 -2.004 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.234 -3.429 -5.858 1.00 0.00 H new ATOM 790 N LEU A 851 13.984 -2.110 -1.962 1.00 0.00 N ATOM 791 CA LEU A 851 13.050 -1.961 -0.852 1.00 0.00 C ATOM 792 C LEU A 851 12.693 -0.495 -0.633 1.00 0.00 C ATOM 793 O LEU A 851 11.561 -0.077 -0.877 1.00 0.00 O ATOM 794 CB LEU A 851 13.649 -2.548 0.427 1.00 0.00 C ATOM 795 CG LEU A 851 12.862 -2.298 1.714 1.00 0.00 C ATOM 796 CD1 LEU A 851 11.446 -2.837 1.586 1.00 0.00 C ATOM 797 CD2 LEU A 851 13.570 -2.931 2.903 1.00 0.00 C ATOM 0 H LEU A 851 14.924 -2.396 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 851 12.139 -2.504 -1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 851 13.755 -3.625 0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 851 14.652 -2.142 0.554 1.00 0.00 H new ATOM 0 HG LEU A 851 12.806 -1.222 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 851 10.901 -2.650 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 851 10.940 -2.338 0.759 1.00 0.00 H new ATOM 0 HD13 LEU A 851 11.481 -3.910 1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 851 12.996 -2.743 3.810 1.00 0.00 H new ATOM 0 HD22 LEU A 851 13.657 -4.006 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 851 14.565 -2.498 3.007 1.00 0.00 H new ATOM 809 N VAL A 852 13.667 0.284 -0.172 1.00 0.00 N ATOM 810 CA VAL A 852 13.456 1.705 0.076 1.00 0.00 C ATOM 811 C VAL A 852 12.634 2.342 -1.038 1.00 0.00 C ATOM 812 O VAL A 852 11.718 3.123 -0.779 1.00 0.00 O ATOM 813 CB VAL A 852 14.795 2.456 0.206 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.646 1.845 1.308 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.540 2.449 -1.121 1.00 0.00 C ATOM 0 H VAL A 852 14.609 -0.045 0.037 1.00 0.00 H new ATOM 0 HA VAL A 852 12.910 1.785 1.016 1.00 0.00 H new ATOM 0 HB VAL A 852 14.586 3.492 0.474 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.587 2.389 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 852 15.113 1.908 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.849 0.800 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.484 2.984 -1.011 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.739 1.420 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 852 14.932 2.938 -1.882 1.00 0.00 H new ATOM 825 N SER A 853 12.967 2.004 -2.280 1.00 0.00 N ATOM 826 CA SER A 853 12.262 2.545 -3.435 1.00 0.00 C ATOM 827 C SER A 853 10.783 2.173 -3.392 1.00 0.00 C ATOM 828 O SER A 853 9.912 3.039 -3.469 1.00 0.00 O ATOM 829 CB SER A 853 12.892 2.031 -4.731 1.00 0.00 C ATOM 830 OG SER A 853 12.077 2.335 -5.850 1.00 0.00 O ATOM 0 H SER A 853 13.721 1.358 -2.511 1.00 0.00 H new ATOM 0 HA SER A 853 12.346 3.631 -3.405 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.877 2.478 -4.862 1.00 0.00 H new ATOM 0 HB3 SER A 853 13.038 0.953 -4.666 1.00 0.00 H new ATOM 0 HG SER A 853 12.502 1.997 -6.666 1.00 0.00 H new ATOM 836 N GLU A 854 10.509 0.878 -3.269 1.00 0.00 N ATOM 837 CA GLU A 854 9.136 0.390 -3.217 1.00 0.00 C ATOM 838 C GLU A 854 8.350 1.093 -2.113 1.00 0.00 C ATOM 839 O GLU A 854 7.246 1.587 -2.340 1.00 0.00 O ATOM 840 CB GLU A 854 9.116 -1.122 -2.988 1.00 0.00 C ATOM 841 CG GLU A 854 9.564 -1.927 -4.197 1.00 0.00 C ATOM 842 CD GLU A 854 8.458 -2.109 -5.218 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.488 -2.837 -4.920 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.562 -1.523 -6.316 1.00 0.00 O ATOM 0 H GLU A 854 11.219 0.149 -3.204 1.00 0.00 H new ATOM 0 HA GLU A 854 8.663 0.611 -4.174 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.762 -1.362 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 854 8.106 -1.426 -2.714 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.410 -1.427 -4.668 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.914 -2.905 -3.868 1.00 0.00 H new ATOM 851 N VAL A 855 8.928 1.133 -0.917 1.00 0.00 N ATOM 852 CA VAL A 855 8.284 1.775 0.222 1.00 0.00 C ATOM 853 C VAL A 855 7.899 3.213 -0.103 1.00 0.00 C ATOM 854 O VAL A 855 6.766 3.633 0.135 1.00 0.00 O ATOM 855 CB VAL A 855 9.199 1.767 1.462 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.615 2.642 2.561 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.413 0.345 1.957 1.00 0.00 C ATOM 0 H VAL A 855 9.841 0.728 -0.712 1.00 0.00 H new ATOM 0 HA VAL A 855 7.383 1.202 0.441 1.00 0.00 H new ATOM 0 HB VAL A 855 10.168 2.178 1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.274 2.624 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.519 3.666 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.633 2.264 2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.061 0.358 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.452 -0.096 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 855 9.879 -0.248 1.170 1.00 0.00 H new ATOM 867 N TYR A 856 8.848 3.965 -0.649 1.00 0.00 N ATOM 868 CA TYR A 856 8.609 5.359 -1.005 1.00 0.00 C ATOM 869 C TYR A 856 7.384 5.488 -1.906 1.00 0.00 C ATOM 870 O TYR A 856 6.563 6.387 -1.730 1.00 0.00 O ATOM 871 CB TYR A 856 9.836 5.945 -1.706 1.00 0.00 C ATOM 872 CG TYR A 856 11.038 6.090 -0.802 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.909 6.606 0.481 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.304 5.710 -1.231 1.00 0.00 C ATOM 875 CE1 TYR A 856 12.006 6.741 1.311 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.406 5.840 -0.408 1.00 0.00 C ATOM 877 CZ TYR A 856 13.252 6.357 0.862 1.00 0.00 C ATOM 878 OH TYR A 856 14.346 6.488 1.686 1.00 0.00 O ATOM 0 H TYR A 856 9.790 3.633 -0.855 1.00 0.00 H new ATOM 0 HA TYR A 856 8.423 5.916 -0.087 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.101 5.307 -2.549 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.579 6.923 -2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.935 6.907 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.429 5.306 -2.225 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.888 7.145 2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.383 5.539 -0.757 1.00 0.00 H new ATOM 0 HH TYR A 856 15.147 6.171 1.219 1.00 0.00 H new ATOM 888 N ASN A 857 7.269 4.582 -2.871 1.00 0.00 N ATOM 889 CA ASN A 857 6.145 4.593 -3.800 1.00 0.00 C ATOM 890 C ASN A 857 4.842 4.252 -3.082 1.00 0.00 C ATOM 891 O ASN A 857 3.773 4.732 -3.457 1.00 0.00 O ATOM 892 CB ASN A 857 6.387 3.600 -4.939 1.00 0.00 C ATOM 893 CG ASN A 857 5.198 3.490 -5.873 1.00 0.00 C ATOM 894 OD1 ASN A 857 4.660 4.498 -6.333 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.781 2.262 -6.157 1.00 0.00 N ATOM 0 H ASN A 857 7.940 3.831 -3.030 1.00 0.00 H new ATOM 0 HA ASN A 857 6.059 5.597 -4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.264 3.910 -5.507 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.609 2.618 -4.520 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.984 2.125 -6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 857 5.257 1.456 -5.753 1.00 0.00 H new ATOM 902 N GLN A 858 4.942 3.422 -2.049 1.00 0.00 N ATOM 903 CA GLN A 858 3.772 3.018 -1.279 1.00 0.00 C ATOM 904 C GLN A 858 3.312 4.142 -0.356 1.00 0.00 C ATOM 905 O GLN A 858 2.128 4.251 -0.034 1.00 0.00 O ATOM 906 CB GLN A 858 4.083 1.764 -0.459 1.00 0.00 C ATOM 907 CG GLN A 858 4.336 0.530 -1.309 1.00 0.00 C ATOM 908 CD GLN A 858 3.172 0.200 -2.221 1.00 0.00 C ATOM 909 OE1 GLN A 858 3.205 0.487 -3.418 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.133 -0.407 -1.660 1.00 0.00 N ATOM 0 H GLN A 858 5.821 3.016 -1.726 1.00 0.00 H new ATOM 0 HA GLN A 858 2.967 2.796 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.959 1.954 0.162 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.251 1.566 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 858 5.231 0.686 -1.911 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.534 -0.321 -0.657 1.00 0.00 H new ATOM 0 HE21 GLN A 858 2.147 -0.627 -0.664 1.00 0.00 H new ATOM 0 HE22 GLN A 858 1.320 -0.654 -2.225 1.00 0.00 H new ATOM 919 N LEU A 859 4.256 4.976 0.067 1.00 0.00 N ATOM 920 CA LEU A 859 3.948 6.093 0.954 1.00 0.00 C ATOM 921 C LEU A 859 3.849 7.398 0.172 1.00 0.00 C ATOM 922 O LEU A 859 4.780 7.782 -0.537 1.00 0.00 O ATOM 923 CB LEU A 859 5.016 6.216 2.042 1.00 0.00 C ATOM 924 CG LEU A 859 5.396 4.920 2.759 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.318 5.210 3.933 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.149 4.184 3.227 1.00 0.00 C ATOM 0 H LEU A 859 5.240 4.900 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 859 2.983 5.898 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 859 5.916 6.637 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.667 6.931 2.787 1.00 0.00 H new ATOM 0 HG LEU A 859 5.928 4.280 2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.578 4.276 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.226 5.693 3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.812 5.869 4.639 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.439 3.264 3.735 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.589 4.818 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.525 3.942 2.367 1.00 0.00 H new ATOM 938 N LYS A 860 2.716 8.079 0.307 1.00 0.00 N ATOM 939 CA LYS A 860 2.496 9.344 -0.384 1.00 0.00 C ATOM 940 C LYS A 860 3.495 10.399 0.082 1.00 0.00 C ATOM 941 O LYS A 860 3.647 11.445 -0.549 1.00 0.00 O ATOM 942 CB LYS A 860 1.068 9.838 -0.145 1.00 0.00 C ATOM 943 CG LYS A 860 0.030 9.138 -1.006 1.00 0.00 C ATOM 944 CD LYS A 860 -1.365 9.274 -0.420 1.00 0.00 C ATOM 945 CE LYS A 860 -2.257 8.113 -0.831 1.00 0.00 C ATOM 946 NZ LYS A 860 -1.745 6.811 -0.319 1.00 0.00 N ATOM 0 H LYS A 860 1.935 7.776 0.889 1.00 0.00 H new ATOM 0 HA LYS A 860 2.642 9.177 -1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 860 0.814 9.694 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.026 10.910 -0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.046 9.559 -2.011 1.00 0.00 H new ATOM 0 HG3 LYS A 860 0.285 8.082 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 860 -1.301 9.318 0.667 1.00 0.00 H new ATOM 0 HD3 LYS A 860 -1.810 10.212 -0.752 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -3.266 8.280 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 860 -2.325 8.074 -1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 -2.479 6.352 0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 -1.499 6.195 -1.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.899 6.975 0.264 1.00 0.00 H new ATOM 960 N PHE A 861 4.173 10.117 1.189 1.00 0.00 N ATOM 961 CA PHE A 861 5.157 11.042 1.739 1.00 0.00 C ATOM 962 C PHE A 861 6.521 10.371 1.869 1.00 0.00 C ATOM 963 O PHE A 861 6.629 9.166 2.099 1.00 0.00 O ATOM 964 CB PHE A 861 4.697 11.557 3.104 1.00 0.00 C ATOM 965 CG PHE A 861 4.333 10.463 4.066 1.00 0.00 C ATOM 966 CD1 PHE A 861 3.083 9.866 4.015 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.239 10.031 5.021 1.00 0.00 C ATOM 968 CE1 PHE A 861 2.745 8.859 4.900 1.00 0.00 C ATOM 969 CE2 PHE A 861 4.907 9.024 5.908 1.00 0.00 C ATOM 970 CZ PHE A 861 3.658 8.436 5.846 1.00 0.00 C ATOM 0 H PHE A 861 4.059 9.255 1.723 1.00 0.00 H new ATOM 0 HA PHE A 861 5.250 11.884 1.053 1.00 0.00 H new ATOM 0 HB2 PHE A 861 5.490 12.164 3.540 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.835 12.210 2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 861 2.365 10.191 3.276 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.217 10.487 5.073 1.00 0.00 H new ATOM 0 HE1 PHE A 861 1.767 8.403 4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 861 5.623 8.697 6.648 1.00 0.00 H new ATOM 0 HZ PHE A 861 3.396 7.647 6.536 1.00 0.00 H new ATOM 980 N PRO A 862 7.589 11.168 1.718 1.00 0.00 N ATOM 981 CA PRO A 862 8.966 10.674 1.815 1.00 0.00 C ATOM 982 C PRO A 862 9.341 10.276 3.238 1.00 0.00 C ATOM 983 O PRO A 862 8.864 10.870 4.205 1.00 0.00 O ATOM 984 CB PRO A 862 9.805 11.868 1.354 1.00 0.00 C ATOM 985 CG PRO A 862 8.958 13.059 1.642 1.00 0.00 C ATOM 986 CD PRO A 862 7.535 12.613 1.443 1.00 0.00 C ATOM 0 HA PRO A 862 9.118 9.774 1.220 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.753 11.917 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 862 10.043 11.799 0.293 1.00 0.00 H new ATOM 0 HG2 PRO A 862 9.117 13.414 2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 862 9.205 13.884 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.854 13.126 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 862 7.188 12.817 0.430 1.00 0.00 H new ATOM 994 N VAL A 863 10.199 9.269 3.360 1.00 0.00 N ATOM 995 CA VAL A 863 10.640 8.793 4.666 1.00 0.00 C ATOM 996 C VAL A 863 12.139 9.001 4.850 1.00 0.00 C ATOM 997 O VAL A 863 12.939 8.626 3.992 1.00 0.00 O ATOM 998 CB VAL A 863 10.312 7.301 4.860 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.951 6.775 6.136 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.806 7.084 4.879 1.00 0.00 C ATOM 0 H VAL A 863 10.603 8.766 2.570 1.00 0.00 H new ATOM 0 HA VAL A 863 10.101 9.376 5.413 1.00 0.00 H new ATOM 0 HB VAL A 863 10.725 6.744 4.019 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.708 5.719 6.256 1.00 0.00 H new ATOM 0 HG12 VAL A 863 12.033 6.894 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.571 7.334 6.991 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.593 6.024 5.017 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.367 7.652 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.378 7.420 3.935 1.00 0.00 H new ATOM 1010 N LYS A 864 12.514 9.601 5.974 1.00 0.00 N ATOM 1011 CA LYS A 864 13.918 9.858 6.274 1.00 0.00 C ATOM 1012 C LYS A 864 14.729 8.567 6.231 1.00 0.00 C ATOM 1013 O LYS A 864 14.204 7.469 6.421 1.00 0.00 O ATOM 1014 CB LYS A 864 14.055 10.514 7.649 1.00 0.00 C ATOM 1015 CG LYS A 864 13.891 12.024 7.622 1.00 0.00 C ATOM 1016 CD LYS A 864 14.397 12.663 8.905 1.00 0.00 C ATOM 1017 CE LYS A 864 13.330 12.659 9.988 1.00 0.00 C ATOM 1018 NZ LYS A 864 13.919 12.807 11.348 1.00 0.00 N ATOM 0 H LYS A 864 11.865 9.919 6.693 1.00 0.00 H new ATOM 0 HA LYS A 864 14.308 10.536 5.515 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.310 10.088 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 864 15.034 10.271 8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 864 14.434 12.435 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.840 12.274 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 864 15.277 12.125 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.709 13.688 8.704 1.00 0.00 H new ATOM 0 HE2 LYS A 864 12.626 13.471 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 864 12.764 11.729 9.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 13.159 12.800 12.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 14.572 12.018 11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 14.438 13.706 11.406 1.00 0.00 H new ATOM 1032 N PRO A 865 16.039 8.698 5.977 1.00 0.00 N ATOM 1033 CA PRO A 865 16.950 7.552 5.906 1.00 0.00 C ATOM 1034 C PRO A 865 17.179 6.907 7.269 1.00 0.00 C ATOM 1035 O PRO A 865 17.149 5.684 7.401 1.00 0.00 O ATOM 1036 CB PRO A 865 18.250 8.164 5.380 1.00 0.00 C ATOM 1037 CG PRO A 865 18.187 9.596 5.787 1.00 0.00 C ATOM 1038 CD PRO A 865 16.732 9.975 5.741 1.00 0.00 C ATOM 0 HA PRO A 865 16.553 6.755 5.278 1.00 0.00 H new ATOM 0 HB2 PRO A 865 19.122 7.669 5.808 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.325 8.063 4.297 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.595 9.736 6.788 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.774 10.220 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.485 10.713 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.460 10.408 4.778 1.00 0.00 H new ATOM 1046 N ALA A 866 17.406 7.739 8.281 1.00 0.00 N ATOM 1047 CA ALA A 866 17.637 7.250 9.634 1.00 0.00 C ATOM 1048 C ALA A 866 16.503 6.336 10.089 1.00 0.00 C ATOM 1049 O ALA A 866 16.721 5.159 10.378 1.00 0.00 O ATOM 1050 CB ALA A 866 17.794 8.417 10.598 1.00 0.00 C ATOM 0 H ALA A 866 17.435 8.754 8.189 1.00 0.00 H new ATOM 0 HA ALA A 866 18.559 6.669 9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.966 8.037 11.605 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.642 9.030 10.292 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.887 9.021 10.589 1.00 0.00 H new ATOM 1056 N ASP A 867 15.295 6.885 10.150 1.00 0.00 N ATOM 1057 CA ASP A 867 14.128 6.118 10.569 1.00 0.00 C ATOM 1058 C ASP A 867 13.982 4.850 9.734 1.00 0.00 C ATOM 1059 O ASP A 867 14.042 3.738 10.259 1.00 0.00 O ATOM 1060 CB ASP A 867 12.863 6.970 10.450 1.00 0.00 C ATOM 1061 CG ASP A 867 12.812 8.078 11.484 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.691 7.763 12.686 1.00 0.00 O ATOM 1063 OD2 ASP A 867 12.893 9.260 11.090 1.00 0.00 O ATOM 0 H ASP A 867 15.098 7.858 9.915 1.00 0.00 H new ATOM 0 HA ASP A 867 14.268 5.831 11.611 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.814 7.406 9.452 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.987 6.332 10.562 1.00 0.00 H new ATOM 1068 N LEU A 868 13.789 5.025 8.431 1.00 0.00 N ATOM 1069 CA LEU A 868 13.633 3.894 7.522 1.00 0.00 C ATOM 1070 C LEU A 868 14.617 2.780 7.865 1.00 0.00 C ATOM 1071 O LEU A 868 14.220 1.649 8.146 1.00 0.00 O ATOM 1072 CB LEU A 868 13.839 4.345 6.075 1.00 0.00 C ATOM 1073 CG LEU A 868 13.421 3.347 4.995 1.00 0.00 C ATOM 1074 CD1 LEU A 868 11.905 3.268 4.899 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.022 3.732 3.651 1.00 0.00 C ATOM 0 H LEU A 868 13.737 5.939 7.980 1.00 0.00 H new ATOM 0 HA LEU A 868 12.620 3.506 7.634 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.283 5.270 5.921 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.894 4.580 5.935 1.00 0.00 H new ATOM 0 HG LEU A 868 13.799 2.363 5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 868 11.626 2.553 4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.496 2.945 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.505 4.250 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 868 13.714 3.010 2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.674 4.725 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.109 3.736 3.727 1.00 0.00 H new ATOM 1087 N LYS A 869 15.905 3.108 7.842 1.00 0.00 N ATOM 1088 CA LYS A 869 16.947 2.138 8.154 1.00 0.00 C ATOM 1089 C LYS A 869 16.618 1.378 9.435 1.00 0.00 C ATOM 1090 O LYS A 869 16.650 0.147 9.464 1.00 0.00 O ATOM 1091 CB LYS A 869 18.300 2.840 8.298 1.00 0.00 C ATOM 1092 CG LYS A 869 19.012 3.066 6.976 1.00 0.00 C ATOM 1093 CD LYS A 869 20.487 3.369 7.182 1.00 0.00 C ATOM 1094 CE LYS A 869 21.043 4.224 6.054 1.00 0.00 C ATOM 1095 NZ LYS A 869 20.788 5.674 6.280 1.00 0.00 N ATOM 0 H LYS A 869 16.252 4.039 7.610 1.00 0.00 H new ATOM 0 HA LYS A 869 17.001 1.424 7.332 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.150 3.801 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.941 2.245 8.949 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.906 2.181 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.541 3.893 6.444 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.624 3.885 8.132 1.00 0.00 H new ATOM 0 HD3 LYS A 869 21.046 2.435 7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 869 22.116 4.054 5.964 1.00 0.00 H new ATOM 0 HE3 LYS A 869 20.591 3.919 5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 20.929 6.194 5.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 19.810 5.808 6.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 21.446 6.034 7.000 1.00 0.00 H new ATOM 1109 N LYS A 870 16.301 2.118 10.492 1.00 0.00 N ATOM 1110 CA LYS A 870 15.963 1.514 11.775 1.00 0.00 C ATOM 1111 C LYS A 870 14.821 0.514 11.622 1.00 0.00 C ATOM 1112 O LYS A 870 14.845 -0.565 12.215 1.00 0.00 O ATOM 1113 CB LYS A 870 15.575 2.597 12.785 1.00 0.00 C ATOM 1114 CG LYS A 870 16.741 3.465 13.224 1.00 0.00 C ATOM 1115 CD LYS A 870 16.401 4.267 14.468 1.00 0.00 C ATOM 1116 CE LYS A 870 17.246 5.528 14.567 1.00 0.00 C ATOM 1117 NZ LYS A 870 16.768 6.591 13.640 1.00 0.00 N ATOM 0 H LYS A 870 16.271 3.138 10.485 1.00 0.00 H new ATOM 0 HA LYS A 870 16.841 0.982 12.141 1.00 0.00 H new ATOM 0 HB2 LYS A 870 14.805 3.232 12.346 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.135 2.123 13.662 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.610 2.837 13.421 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.015 4.143 12.416 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.345 4.536 14.451 1.00 0.00 H new ATOM 0 HD3 LYS A 870 16.559 3.651 15.353 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.222 5.901 15.591 1.00 0.00 H new ATOM 0 HE3 LYS A 870 18.285 5.288 14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 17.138 7.513 13.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 17.104 6.388 12.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 15.728 6.615 13.646 1.00 0.00 H new ATOM 1131 N ARG A 871 13.824 0.878 10.822 1.00 0.00 N ATOM 1132 CA ARG A 871 12.674 0.013 10.592 1.00 0.00 C ATOM 1133 C ARG A 871 13.101 -1.292 9.926 1.00 0.00 C ATOM 1134 O ARG A 871 12.704 -2.377 10.353 1.00 0.00 O ATOM 1135 CB ARG A 871 11.638 0.726 9.721 1.00 0.00 C ATOM 1136 CG ARG A 871 11.236 2.093 10.250 1.00 0.00 C ATOM 1137 CD ARG A 871 10.063 1.995 11.213 1.00 0.00 C ATOM 1138 NE ARG A 871 10.496 1.675 12.571 1.00 0.00 N ATOM 1139 CZ ARG A 871 9.790 1.973 13.656 1.00 0.00 C ATOM 1140 NH1 ARG A 871 8.625 2.595 13.543 1.00 0.00 N ATOM 1141 NH2 ARG A 871 10.250 1.649 14.858 1.00 0.00 N ATOM 0 H ARG A 871 13.790 1.767 10.322 1.00 0.00 H new ATOM 0 HA ARG A 871 12.227 -0.220 11.559 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.038 0.839 8.714 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.749 0.100 9.642 1.00 0.00 H new ATOM 0 HG2 ARG A 871 12.085 2.553 10.755 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.970 2.743 9.416 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.519 2.939 11.219 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.370 1.230 10.864 1.00 0.00 H new ATOM 0 HE ARG A 871 11.389 1.197 12.693 1.00 0.00 H new ATOM 0 HH11 ARG A 871 8.268 2.846 12.621 1.00 0.00 H new ATOM 0 HH12 ARG A 871 8.085 2.822 14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 871 11.146 1.171 14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 871 9.707 1.878 15.691 1.00 0.00 H new ATOM 1155 N ILE A 872 13.911 -1.179 8.879 1.00 0.00 N ATOM 1156 CA ILE A 872 14.392 -2.350 8.155 1.00 0.00 C ATOM 1157 C ILE A 872 15.121 -3.311 9.088 1.00 0.00 C ATOM 1158 O ILE A 872 14.677 -4.439 9.302 1.00 0.00 O ATOM 1159 CB ILE A 872 15.336 -1.953 7.006 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.634 -0.984 6.052 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.811 -3.190 6.258 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.568 -0.336 5.054 1.00 0.00 C ATOM 0 H ILE A 872 14.248 -0.289 8.513 1.00 0.00 H new ATOM 0 HA ILE A 872 13.515 -2.846 7.739 1.00 0.00 H new ATOM 0 HB ILE A 872 16.207 -1.451 7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.853 -1.520 5.512 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.141 -0.206 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.478 -2.892 5.449 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.345 -3.848 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 872 14.951 -3.718 5.845 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.002 0.338 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.334 0.228 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.042 -1.106 4.445 1.00 0.00 H new ATOM 1174 N GLU A 873 16.240 -2.856 9.642 1.00 0.00 N ATOM 1175 CA GLU A 873 17.030 -3.676 10.553 1.00 0.00 C ATOM 1176 C GLU A 873 16.130 -4.403 11.548 1.00 0.00 C ATOM 1177 O GLU A 873 16.104 -5.633 11.594 1.00 0.00 O ATOM 1178 CB GLU A 873 18.045 -2.812 11.303 1.00 0.00 C ATOM 1179 CG GLU A 873 19.036 -2.107 10.391 1.00 0.00 C ATOM 1180 CD GLU A 873 19.859 -1.063 11.120 1.00 0.00 C ATOM 1181 OE1 GLU A 873 19.287 -0.022 11.507 1.00 0.00 O ATOM 1182 OE2 GLU A 873 21.073 -1.286 11.304 1.00 0.00 O ATOM 0 H GLU A 873 16.620 -1.924 9.476 1.00 0.00 H new ATOM 0 HA GLU A 873 17.565 -4.419 9.962 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.510 -2.066 11.891 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.593 -3.439 12.006 1.00 0.00 H new ATOM 0 HG2 GLU A 873 19.704 -2.845 9.947 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.496 -1.632 9.572 1.00 0.00 H new ATOM 1189 N SER A 874 15.395 -3.633 12.344 1.00 0.00 N ATOM 1190 CA SER A 874 14.498 -4.203 13.343 1.00 0.00 C ATOM 1191 C SER A 874 13.729 -5.389 12.768 1.00 0.00 C ATOM 1192 O SER A 874 13.828 -6.510 13.270 1.00 0.00 O ATOM 1193 CB SER A 874 13.519 -3.140 13.845 1.00 0.00 C ATOM 1194 OG SER A 874 12.582 -3.697 14.750 1.00 0.00 O ATOM 0 H SER A 874 15.403 -2.613 12.317 1.00 0.00 H new ATOM 0 HA SER A 874 15.101 -4.555 14.180 1.00 0.00 H new ATOM 0 HB2 SER A 874 14.069 -2.337 14.335 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.993 -2.697 12.999 1.00 0.00 H new ATOM 0 HG SER A 874 12.546 -3.149 15.562 1.00 0.00 H new ATOM 1200 N LEU A 875 12.962 -5.133 11.714 1.00 0.00 N ATOM 1201 CA LEU A 875 12.175 -6.179 11.069 1.00 0.00 C ATOM 1202 C LEU A 875 13.021 -7.424 10.823 1.00 0.00 C ATOM 1203 O LEU A 875 12.607 -8.540 11.138 1.00 0.00 O ATOM 1204 CB LEU A 875 11.600 -5.669 9.747 1.00 0.00 C ATOM 1205 CG LEU A 875 10.626 -4.495 9.847 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.505 -3.786 8.506 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.262 -4.972 10.324 1.00 0.00 C ATOM 0 H LEU A 875 12.868 -4.211 11.288 1.00 0.00 H new ATOM 0 HA LEU A 875 11.355 -6.446 11.736 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.429 -5.374 9.103 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.091 -6.496 9.252 1.00 0.00 H new ATOM 0 HG LEU A 875 11.016 -3.786 10.577 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.808 -2.953 8.596 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.482 -3.410 8.204 1.00 0.00 H new ATOM 0 HD13 LEU A 875 10.138 -4.487 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.582 -4.123 10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.865 -5.702 9.619 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.361 -5.434 11.306 1.00 0.00 H new ATOM 1219 N ILE A 876 14.208 -7.225 10.260 1.00 0.00 N ATOM 1220 CA ILE A 876 15.113 -8.331 9.975 1.00 0.00 C ATOM 1221 C ILE A 876 15.384 -9.156 11.228 1.00 0.00 C ATOM 1222 O ILE A 876 15.492 -10.381 11.166 1.00 0.00 O ATOM 1223 CB ILE A 876 16.453 -7.829 9.405 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.221 -7.044 8.113 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.395 -8.998 9.159 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.495 -6.534 7.478 1.00 0.00 C ATOM 0 H ILE A 876 14.565 -6.308 9.992 1.00 0.00 H new ATOM 0 HA ILE A 876 14.622 -8.957 9.230 1.00 0.00 H new ATOM 0 HB ILE A 876 16.914 -7.163 10.134 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.699 -7.681 7.399 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.566 -6.199 8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.338 -8.627 8.756 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.582 -9.519 10.098 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.942 -9.687 8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.254 -5.987 6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 876 18.008 -5.871 8.174 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.143 -7.376 7.235 1.00 0.00 H new ATOM 1238 N ASP A 877 15.491 -8.478 12.365 1.00 0.00 N ATOM 1239 CA ASP A 877 15.746 -9.149 13.635 1.00 0.00 C ATOM 1240 C ASP A 877 14.447 -9.658 14.251 1.00 0.00 C ATOM 1241 O ASP A 877 14.464 -10.455 15.189 1.00 0.00 O ATOM 1242 CB ASP A 877 16.448 -8.198 14.606 1.00 0.00 C ATOM 1243 CG ASP A 877 17.191 -8.936 15.703 1.00 0.00 C ATOM 1244 OD1 ASP A 877 18.187 -9.620 15.388 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.776 -8.828 16.876 1.00 0.00 O ATOM 0 H ASP A 877 15.405 -7.464 12.434 1.00 0.00 H new ATOM 0 HA ASP A 877 16.395 -10.004 13.443 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.149 -7.572 14.054 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.711 -7.532 15.055 1.00 0.00 H new ATOM 1250 N ARG A 878 13.322 -9.191 13.719 1.00 0.00 N ATOM 1251 CA ARG A 878 12.014 -9.597 14.218 1.00 0.00 C ATOM 1252 C ARG A 878 11.530 -10.859 13.510 1.00 0.00 C ATOM 1253 O ARG A 878 10.330 -11.051 13.313 1.00 0.00 O ATOM 1254 CB ARG A 878 10.998 -8.469 14.025 1.00 0.00 C ATOM 1255 CG ARG A 878 10.982 -7.462 15.163 1.00 0.00 C ATOM 1256 CD ARG A 878 9.983 -6.345 14.904 1.00 0.00 C ATOM 1257 NE ARG A 878 10.202 -5.201 15.785 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.807 -3.966 15.496 1.00 0.00 C ATOM 1259 NH1 ARG A 878 9.177 -3.717 14.356 1.00 0.00 N ATOM 1260 NH2 ARG A 878 10.042 -2.976 16.349 1.00 0.00 N ATOM 0 H ARG A 878 13.290 -8.531 12.942 1.00 0.00 H new ATOM 0 HA ARG A 878 12.110 -9.812 15.282 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.219 -7.948 13.093 1.00 0.00 H new ATOM 0 HB3 ARG A 878 10.003 -8.902 13.920 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.730 -7.968 16.095 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.978 -7.038 15.290 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.060 -6.023 13.866 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.971 -6.724 15.046 1.00 0.00 H new ATOM 0 HE ARG A 878 10.684 -5.359 16.670 1.00 0.00 H new ATOM 0 HH11 ARG A 878 8.994 -4.475 13.698 1.00 0.00 H new ATOM 0 HH12 ARG A 878 8.875 -2.768 14.137 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.526 -3.163 17.227 1.00 0.00 H new ATOM 0 HH22 ARG A 878 9.738 -2.028 16.126 1.00 0.00 H new ATOM 1274 N ASP A 879 12.471 -11.716 13.131 1.00 0.00 N ATOM 1275 CA ASP A 879 12.141 -12.961 12.446 1.00 0.00 C ATOM 1276 C ASP A 879 11.221 -12.699 11.258 1.00 0.00 C ATOM 1277 O ASP A 879 10.199 -13.365 11.093 1.00 0.00 O ATOM 1278 CB ASP A 879 11.478 -13.941 13.415 1.00 0.00 C ATOM 1279 CG ASP A 879 11.720 -15.387 13.031 1.00 0.00 C ATOM 1280 OD1 ASP A 879 11.231 -15.806 11.961 1.00 0.00 O ATOM 1281 OD2 ASP A 879 12.396 -16.101 13.801 1.00 0.00 O ATOM 0 H ASP A 879 13.469 -11.572 13.286 1.00 0.00 H new ATOM 0 HA ASP A 879 13.067 -13.400 12.075 1.00 0.00 H new ATOM 0 HB2 ASP A 879 11.859 -13.767 14.421 1.00 0.00 H new ATOM 0 HB3 ASP A 879 10.405 -13.750 13.443 1.00 0.00 H new ATOM 1286 N TYR A 880 11.590 -11.725 10.434 1.00 0.00 N ATOM 1287 CA TYR A 880 10.796 -11.373 9.263 1.00 0.00 C ATOM 1288 C TYR A 880 11.639 -11.440 7.993 1.00 0.00 C ATOM 1289 O TYR A 880 11.136 -11.763 6.917 1.00 0.00 O ATOM 1290 CB TYR A 880 10.206 -9.970 9.423 1.00 0.00 C ATOM 1291 CG TYR A 880 8.970 -9.929 10.293 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.766 -10.462 9.849 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.007 -9.358 11.559 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.634 -10.426 10.641 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.880 -9.319 12.358 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.696 -9.853 11.894 1.00 0.00 C ATOM 1297 OH TYR A 880 5.571 -9.817 12.686 1.00 0.00 O ATOM 0 H TYR A 880 12.434 -11.165 10.555 1.00 0.00 H new ATOM 0 HA TYR A 880 9.983 -12.094 9.177 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.963 -9.313 9.851 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.960 -9.574 8.438 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.714 -10.912 8.869 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.932 -8.938 11.925 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.706 -10.844 10.281 1.00 0.00 H new ATOM 0 HE2 TYR A 880 7.926 -8.873 13.340 1.00 0.00 H new ATOM 0 HH TYR A 880 5.784 -9.381 13.537 1.00 0.00 H new ATOM 1307 N MET A 881 12.924 -11.132 8.127 1.00 0.00 N ATOM 1308 CA MET A 881 13.839 -11.159 6.991 1.00 0.00 C ATOM 1309 C MET A 881 15.256 -11.496 7.442 1.00 0.00 C ATOM 1310 O MET A 881 15.671 -11.129 8.541 1.00 0.00 O ATOM 1311 CB MET A 881 13.828 -9.810 6.268 1.00 0.00 C ATOM 1312 CG MET A 881 12.438 -9.347 5.867 1.00 0.00 C ATOM 1313 SD MET A 881 11.718 -10.361 4.561 1.00 0.00 S ATOM 1314 CE MET A 881 12.820 -9.992 3.199 1.00 0.00 C ATOM 0 H MET A 881 13.356 -10.861 9.010 1.00 0.00 H new ATOM 0 HA MET A 881 13.502 -11.935 6.303 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.280 -9.057 6.914 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.450 -9.880 5.376 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.786 -9.369 6.740 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.487 -8.311 5.532 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.494 -10.532 2.310 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.805 -8.921 2.998 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.834 -10.298 3.458 1.00 0.00 H new ATOM 1324 N GLU A 882 15.994 -12.198 6.587 1.00 0.00 N ATOM 1325 CA GLU A 882 17.364 -12.585 6.900 1.00 0.00 C ATOM 1326 C GLU A 882 18.349 -11.926 5.938 1.00 0.00 C ATOM 1327 O GLU A 882 18.051 -11.740 4.758 1.00 0.00 O ATOM 1328 CB GLU A 882 17.515 -14.106 6.838 1.00 0.00 C ATOM 1329 CG GLU A 882 17.378 -14.675 5.436 1.00 0.00 C ATOM 1330 CD GLU A 882 18.049 -16.026 5.286 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.076 -16.788 6.275 1.00 0.00 O ATOM 1332 OE2 GLU A 882 18.548 -16.322 4.180 1.00 0.00 O ATOM 0 H GLU A 882 15.666 -12.510 5.673 1.00 0.00 H new ATOM 0 HA GLU A 882 17.588 -12.246 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.490 -14.382 7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.764 -14.564 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.321 -14.769 5.188 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.812 -13.977 4.721 1.00 0.00 H new ATOM 1339 N ARG A 883 19.523 -11.574 6.452 1.00 0.00 N ATOM 1340 CA ARG A 883 20.551 -10.934 5.640 1.00 0.00 C ATOM 1341 C ARG A 883 21.288 -11.962 4.786 1.00 0.00 C ATOM 1342 O ARG A 883 21.708 -13.008 5.281 1.00 0.00 O ATOM 1343 CB ARG A 883 21.546 -10.190 6.532 1.00 0.00 C ATOM 1344 CG ARG A 883 20.965 -8.947 7.188 1.00 0.00 C ATOM 1345 CD ARG A 883 22.058 -7.981 7.617 1.00 0.00 C ATOM 1346 NE ARG A 883 22.969 -8.582 8.588 1.00 0.00 N ATOM 1347 CZ ARG A 883 22.691 -8.701 9.881 1.00 0.00 C ATOM 1348 NH1 ARG A 883 21.534 -8.263 10.357 1.00 0.00 N ATOM 1349 NH2 ARG A 883 23.572 -9.259 10.702 1.00 0.00 N ATOM 0 H ARG A 883 19.786 -11.721 7.427 1.00 0.00 H new ATOM 0 HA ARG A 883 20.062 -10.220 4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 883 21.902 -10.867 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.413 -9.905 5.936 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.290 -8.449 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.372 -9.236 8.056 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.622 -7.660 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 883 21.604 -7.089 8.049 1.00 0.00 H new ATOM 0 HE ARG A 883 23.868 -8.929 8.254 1.00 0.00 H new ATOM 0 HH11 ARG A 883 20.854 -7.833 9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 883 21.323 -8.356 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 883 24.464 -9.597 10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 883 23.357 -9.350 11.695 1.00 0.00 H new ATOM 1363 N ASP A 884 21.441 -11.657 3.503 1.00 0.00 N ATOM 1364 CA ASP A 884 22.127 -12.554 2.580 1.00 0.00 C ATOM 1365 C ASP A 884 23.612 -12.650 2.919 1.00 0.00 C ATOM 1366 O ASP A 884 24.349 -11.670 2.813 1.00 0.00 O ATOM 1367 CB ASP A 884 21.951 -12.070 1.139 1.00 0.00 C ATOM 1368 CG ASP A 884 22.420 -13.094 0.124 1.00 0.00 C ATOM 1369 OD1 ASP A 884 22.351 -14.304 0.425 1.00 0.00 O ATOM 1370 OD2 ASP A 884 22.856 -12.685 -0.972 1.00 0.00 O ATOM 0 H ASP A 884 21.099 -10.795 3.078 1.00 0.00 H new ATOM 0 HA ASP A 884 21.685 -13.545 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.900 -11.841 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.507 -11.143 0.999 1.00 0.00 H new ATOM 1375 N LYS A 885 24.044 -13.838 3.328 1.00 0.00 N ATOM 1376 CA LYS A 885 25.440 -14.064 3.683 1.00 0.00 C ATOM 1377 C LYS A 885 26.371 -13.346 2.712 1.00 0.00 C ATOM 1378 O LYS A 885 27.444 -12.881 3.097 1.00 0.00 O ATOM 1379 CB LYS A 885 25.749 -15.563 3.689 1.00 0.00 C ATOM 1380 CG LYS A 885 25.340 -16.264 4.973 1.00 0.00 C ATOM 1381 CD LYS A 885 26.112 -17.557 5.173 1.00 0.00 C ATOM 1382 CE LYS A 885 26.040 -18.032 6.616 1.00 0.00 C ATOM 1383 NZ LYS A 885 26.941 -19.191 6.864 1.00 0.00 N ATOM 0 H LYS A 885 23.447 -14.660 3.422 1.00 0.00 H new ATOM 0 HA LYS A 885 25.605 -13.661 4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 885 25.238 -16.034 2.849 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.818 -15.706 3.532 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.513 -15.601 5.821 1.00 0.00 H new ATOM 0 HG3 LYS A 885 24.271 -16.477 4.947 1.00 0.00 H new ATOM 0 HD2 LYS A 885 25.710 -18.327 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 885 27.154 -17.407 4.890 1.00 0.00 H new ATOM 0 HE2 LYS A 885 26.311 -17.213 7.282 1.00 0.00 H new ATOM 0 HE3 LYS A 885 25.014 -18.312 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 26.863 -19.485 7.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 26.667 -19.982 6.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 27.923 -18.917 6.660 1.00 0.00 H new ATOM 1397 N GLU A 886 25.954 -13.258 1.453 1.00 0.00 N ATOM 1398 CA GLU A 886 26.752 -12.595 0.429 1.00 0.00 C ATOM 1399 C GLU A 886 26.885 -11.104 0.723 1.00 0.00 C ATOM 1400 O GLU A 886 27.976 -10.612 1.007 1.00 0.00 O ATOM 1401 CB GLU A 886 26.123 -12.800 -0.951 1.00 0.00 C ATOM 1402 CG GLU A 886 26.624 -14.040 -1.671 1.00 0.00 C ATOM 1403 CD GLU A 886 27.880 -13.778 -2.480 1.00 0.00 C ATOM 1404 OE1 GLU A 886 27.809 -12.990 -3.447 1.00 0.00 O ATOM 1405 OE2 GLU A 886 28.933 -14.360 -2.146 1.00 0.00 O ATOM 0 H GLU A 886 25.068 -13.637 1.118 1.00 0.00 H new ATOM 0 HA GLU A 886 27.747 -13.039 0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 886 25.041 -12.867 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.328 -11.925 -1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.824 -14.824 -0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.842 -14.413 -2.332 1.00 0.00 H new ATOM 1412 N ASN A 887 25.766 -10.390 0.651 1.00 0.00 N ATOM 1413 CA ASN A 887 25.757 -8.955 0.909 1.00 0.00 C ATOM 1414 C ASN A 887 24.576 -8.569 1.794 1.00 0.00 C ATOM 1415 O ASN A 887 23.465 -9.079 1.648 1.00 0.00 O ATOM 1416 CB ASN A 887 25.695 -8.180 -0.409 1.00 0.00 C ATOM 1417 CG ASN A 887 26.233 -6.768 -0.275 1.00 0.00 C ATOM 1418 OD1 ASN A 887 25.472 -5.802 -0.250 1.00 0.00 O ATOM 1419 ND2 ASN A 887 27.553 -6.644 -0.188 1.00 0.00 N ATOM 0 H ASN A 887 24.854 -10.782 0.416 1.00 0.00 H new ATOM 0 HA ASN A 887 26.679 -8.699 1.431 1.00 0.00 H new ATOM 0 HB2 ASN A 887 26.267 -8.713 -1.168 1.00 0.00 H new ATOM 0 HB3 ASN A 887 24.663 -8.141 -0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 887 27.973 -5.719 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.146 -7.474 -0.213 1.00 0.00 H new ATOM 1426 N PRO A 888 24.819 -7.644 2.735 1.00 0.00 N ATOM 1427 CA PRO A 888 23.789 -7.168 3.662 1.00 0.00 C ATOM 1428 C PRO A 888 22.729 -6.321 2.966 1.00 0.00 C ATOM 1429 O PRO A 888 21.726 -5.945 3.570 1.00 0.00 O ATOM 1430 CB PRO A 888 24.577 -6.321 4.664 1.00 0.00 C ATOM 1431 CG PRO A 888 25.786 -5.876 3.916 1.00 0.00 C ATOM 1432 CD PRO A 888 26.120 -6.993 2.967 1.00 0.00 C ATOM 0 HA PRO A 888 23.240 -7.992 4.118 1.00 0.00 H new ATOM 0 HB2 PRO A 888 23.991 -5.470 5.011 1.00 0.00 H new ATOM 0 HB3 PRO A 888 24.848 -6.901 5.546 1.00 0.00 H new ATOM 0 HG2 PRO A 888 25.591 -4.950 3.375 1.00 0.00 H new ATOM 0 HG3 PRO A 888 26.615 -5.680 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.552 -6.617 2.040 1.00 0.00 H new ATOM 0 HD3 PRO A 888 26.844 -7.684 3.399 1.00 0.00 H new ATOM 1440 N ASN A 889 22.960 -6.024 1.691 1.00 0.00 N ATOM 1441 CA ASN A 889 22.025 -5.221 0.912 1.00 0.00 C ATOM 1442 C ASN A 889 20.853 -6.069 0.425 1.00 0.00 C ATOM 1443 O ASN A 889 19.847 -5.541 -0.047 1.00 0.00 O ATOM 1444 CB ASN A 889 22.738 -4.583 -0.282 1.00 0.00 C ATOM 1445 CG ASN A 889 23.812 -3.601 0.144 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.179 -3.535 1.317 1.00 0.00 O ATOM 1447 ND2 ASN A 889 24.321 -2.831 -0.811 1.00 0.00 N ATOM 0 H ASN A 889 23.786 -6.327 1.176 1.00 0.00 H new ATOM 0 HA ASN A 889 21.637 -4.433 1.558 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.187 -5.365 -0.894 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.007 -4.070 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 889 25.047 -2.151 -0.585 1.00 0.00 H new ATOM 0 HD22 ASN A 889 23.986 -2.920 -1.770 1.00 0.00 H new ATOM 1454 N GLN A 890 20.994 -7.385 0.543 1.00 0.00 N ATOM 1455 CA GLN A 890 19.947 -8.306 0.115 1.00 0.00 C ATOM 1456 C GLN A 890 19.265 -8.951 1.317 1.00 0.00 C ATOM 1457 O GLN A 890 19.917 -9.298 2.302 1.00 0.00 O ATOM 1458 CB GLN A 890 20.532 -9.387 -0.796 1.00 0.00 C ATOM 1459 CG GLN A 890 19.539 -10.480 -1.158 1.00 0.00 C ATOM 1460 CD GLN A 890 19.833 -11.114 -2.503 1.00 0.00 C ATOM 1461 OE1 GLN A 890 18.991 -10.829 -3.489 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 20.807 -11.852 -2.654 1.00 0.00 N flip ATOM 0 H GLN A 890 21.822 -7.837 0.931 1.00 0.00 H new ATOM 0 HA GLN A 890 19.201 -7.737 -0.440 1.00 0.00 H new ATOM 0 HB2 GLN A 890 20.896 -8.921 -1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.393 -9.839 -0.304 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.555 -11.250 -0.387 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.533 -10.062 -1.170 1.00 0.00 H new ATOM 0 HE21 GLN A 890 21.428 -12.044 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.993 -12.272 -3.565 1.00 0.00 H new ATOM 1471 N TYR A 891 17.949 -9.109 1.229 1.00 0.00 N ATOM 1472 CA TYR A 891 17.177 -9.710 2.310 1.00 0.00 C ATOM 1473 C TYR A 891 16.211 -10.761 1.771 1.00 0.00 C ATOM 1474 O TYR A 891 15.584 -10.568 0.731 1.00 0.00 O ATOM 1475 CB TYR A 891 16.404 -8.633 3.072 1.00 0.00 C ATOM 1476 CG TYR A 891 17.211 -7.384 3.342 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.273 -7.398 4.238 1.00 0.00 C ATOM 1478 CD2 TYR A 891 16.912 -6.188 2.699 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.012 -6.258 4.487 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.648 -5.044 2.941 1.00 0.00 C ATOM 1481 CZ TYR A 891 18.696 -5.084 3.837 1.00 0.00 C ATOM 1482 OH TYR A 891 19.432 -3.947 4.081 1.00 0.00 O ATOM 0 H TYR A 891 17.394 -8.829 0.420 1.00 0.00 H new ATOM 0 HA TYR A 891 17.873 -10.199 2.992 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.515 -8.364 2.502 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.062 -9.046 4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 891 18.525 -8.316 4.748 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.091 -6.153 1.999 1.00 0.00 H new ATOM 0 HE1 TYR A 891 19.833 -6.286 5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.404 -4.124 2.431 1.00 0.00 H new ATOM 0 HH TYR A 891 20.387 -4.155 4.013 1.00 0.00 H new ATOM 1492 N ASN A 892 16.098 -11.874 2.489 1.00 0.00 N ATOM 1493 CA ASN A 892 15.209 -12.957 2.084 1.00 0.00 C ATOM 1494 C ASN A 892 14.005 -13.049 3.015 1.00 0.00 C ATOM 1495 O ASN A 892 14.064 -12.619 4.168 1.00 0.00 O ATOM 1496 CB ASN A 892 15.964 -14.288 2.075 1.00 0.00 C ATOM 1497 CG ASN A 892 17.289 -14.196 1.344 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.428 -14.686 0.223 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.272 -13.567 1.978 1.00 0.00 N ATOM 0 H ASN A 892 16.610 -12.049 3.353 1.00 0.00 H new ATOM 0 HA ASN A 892 14.851 -12.743 1.077 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.140 -14.610 3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.344 -15.051 1.604 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.187 -13.475 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.112 -13.176 2.906 1.00 0.00 H new ATOM 1506 N TYR A 893 12.913 -13.612 2.509 1.00 0.00 N ATOM 1507 CA TYR A 893 11.694 -13.759 3.294 1.00 0.00 C ATOM 1508 C TYR A 893 11.761 -15.001 4.178 1.00 0.00 C ATOM 1509 O TYR A 893 12.167 -16.073 3.730 1.00 0.00 O ATOM 1510 CB TYR A 893 10.475 -13.840 2.373 1.00 0.00 C ATOM 1511 CG TYR A 893 9.158 -13.887 3.114 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.692 -12.780 3.812 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.381 -15.039 3.117 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.489 -12.819 4.491 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.176 -15.086 3.792 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.735 -13.974 4.478 1.00 0.00 C ATOM 1517 OH TYR A 893 5.537 -14.017 5.152 1.00 0.00 O ATOM 0 H TYR A 893 12.848 -13.974 1.558 1.00 0.00 H new ATOM 0 HA TYR A 893 11.598 -12.883 3.936 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.476 -12.978 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.562 -14.728 1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.280 -11.874 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.725 -15.912 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.141 -11.950 5.029 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.583 -15.989 3.782 1.00 0.00 H new ATOM 0 HH TYR A 893 5.131 -14.902 5.042 1.00 0.00 H new ATOM 1527 N ILE A 894 11.360 -14.847 5.435 1.00 0.00 N ATOM 1528 CA ILE A 894 11.372 -15.955 6.382 1.00 0.00 C ATOM 1529 C ILE A 894 10.023 -16.100 7.076 1.00 0.00 C ATOM 1530 O ILE A 894 9.525 -17.210 7.263 1.00 0.00 O ATOM 1531 CB ILE A 894 12.469 -15.773 7.447 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.456 -14.340 7.984 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.833 -16.115 6.868 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.584 -14.045 8.947 1.00 0.00 C ATOM 0 H ILE A 894 11.023 -13.965 5.822 1.00 0.00 H new ATOM 0 HA ILE A 894 11.581 -16.858 5.808 1.00 0.00 H new ATOM 0 HB ILE A 894 12.267 -16.453 8.274 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.514 -13.646 7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.505 -14.157 8.484 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.597 -15.981 7.634 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.835 -17.151 6.530 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.045 -15.458 6.025 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.512 -13.012 9.287 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.515 -14.715 9.804 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.540 -14.196 8.445 1.00 0.00 H new ATOM 1546 N ALA A 895 9.434 -14.970 7.456 1.00 0.00 N ATOM 1547 CA ALA A 895 8.140 -14.971 8.127 1.00 0.00 C ATOM 1548 C ALA A 895 7.243 -16.080 7.588 1.00 0.00 C ATOM 1549 O ALA A 895 7.263 -16.383 6.395 1.00 0.00 O ATOM 1550 CB ALA A 895 7.463 -13.618 7.968 1.00 0.00 C ATOM 0 H ALA A 895 9.833 -14.043 7.310 1.00 0.00 H new ATOM 0 HA ALA A 895 8.308 -15.159 9.187 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.498 -13.633 8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.091 -12.843 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.315 -13.408 6.909 1.00 0.00 H new ATOM 1556 N SER A 896 6.457 -16.682 8.474 1.00 0.00 N ATOM 1557 CA SER A 896 5.556 -17.762 8.088 1.00 0.00 C ATOM 1558 C SER A 896 4.156 -17.225 7.806 1.00 0.00 C ATOM 1559 O SER A 896 3.717 -16.251 8.416 1.00 0.00 O ATOM 1560 CB SER A 896 5.495 -18.823 9.188 1.00 0.00 C ATOM 1561 OG SER A 896 4.718 -19.935 8.781 1.00 0.00 O ATOM 0 H SER A 896 6.426 -16.440 9.464 1.00 0.00 H new ATOM 0 HA SER A 896 5.944 -18.217 7.176 1.00 0.00 H new ATOM 0 HB2 SER A 896 6.504 -19.152 9.437 1.00 0.00 H new ATOM 0 HB3 SER A 896 5.069 -18.389 10.093 1.00 0.00 H new ATOM 0 HG SER A 896 4.696 -20.600 9.501 1.00 0.00 H new ATOM 1567 N GLY A 897 3.459 -17.868 6.874 1.00 0.00 N ATOM 1568 CA GLY A 897 2.116 -17.443 6.526 1.00 0.00 C ATOM 1569 C GLY A 897 1.091 -17.845 7.568 1.00 0.00 C ATOM 1570 O GLY A 897 1.202 -18.892 8.206 1.00 0.00 O ATOM 0 H GLY A 897 3.801 -18.676 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 897 2.101 -16.360 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 897 1.840 -17.875 5.564 1.00 0.00 H new ATOM 1574 N PRO A 898 0.067 -17.000 7.754 1.00 0.00 N ATOM 1575 CA PRO A 898 -1.001 -17.251 8.726 1.00 0.00 C ATOM 1576 C PRO A 898 -1.903 -18.408 8.310 1.00 0.00 C ATOM 1577 O PRO A 898 -2.941 -18.203 7.680 1.00 0.00 O ATOM 1578 CB PRO A 898 -1.786 -15.938 8.738 1.00 0.00 C ATOM 1579 CG PRO A 898 -1.528 -15.329 7.403 1.00 0.00 C ATOM 1580 CD PRO A 898 -0.128 -15.733 7.029 1.00 0.00 C ATOM 0 HA PRO A 898 -0.606 -17.536 9.701 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -2.850 -16.115 8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -1.451 -15.284 9.543 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -2.247 -15.685 6.666 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -1.624 -14.244 7.444 1.00 0.00 H new ATOM 0 HD2 PRO A 898 -0.022 -15.866 5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 898 0.601 -14.981 7.331 1.00 0.00 H new ATOM 1588 N SER A 899 -1.502 -19.624 8.667 1.00 0.00 N ATOM 1589 CA SER A 899 -2.273 -20.814 8.328 1.00 0.00 C ATOM 1590 C SER A 899 -3.375 -21.058 9.354 1.00 0.00 C ATOM 1591 O SER A 899 -3.139 -21.002 10.560 1.00 0.00 O ATOM 1592 CB SER A 899 -1.356 -22.036 8.247 1.00 0.00 C ATOM 1593 OG SER A 899 -0.729 -22.286 9.493 1.00 0.00 O ATOM 0 H SER A 899 -0.647 -19.811 9.191 1.00 0.00 H new ATOM 0 HA SER A 899 -2.736 -20.651 7.355 1.00 0.00 H new ATOM 0 HB2 SER A 899 -1.934 -22.909 7.946 1.00 0.00 H new ATOM 0 HB3 SER A 899 -0.598 -21.876 7.480 1.00 0.00 H new ATOM 0 HG SER A 899 -1.284 -21.926 10.216 1.00 0.00 H new ATOM 1599 N SER A 900 -4.581 -21.329 8.864 1.00 0.00 N ATOM 1600 CA SER A 900 -5.722 -21.578 9.738 1.00 0.00 C ATOM 1601 C SER A 900 -5.562 -22.903 10.476 1.00 0.00 C ATOM 1602 O SER A 900 -5.733 -22.974 11.692 1.00 0.00 O ATOM 1603 CB SER A 900 -7.019 -21.585 8.927 1.00 0.00 C ATOM 1604 OG SER A 900 -7.309 -20.296 8.415 1.00 0.00 O ATOM 0 H SER A 900 -4.793 -21.382 7.868 1.00 0.00 H new ATOM 0 HA SER A 900 -5.767 -20.776 10.475 1.00 0.00 H new ATOM 0 HB2 SER A 900 -6.933 -22.295 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 900 -7.843 -21.923 9.556 1.00 0.00 H new ATOM 0 HG SER A 900 -8.142 -20.329 7.899 1.00 0.00 H new ATOM 1610 N GLY A 901 -5.233 -23.953 9.729 1.00 0.00 N ATOM 1611 CA GLY A 901 -5.056 -25.263 10.328 1.00 0.00 C ATOM 1612 C GLY A 901 -5.024 -26.373 9.296 1.00 0.00 C ATOM 1613 O GLY A 901 -4.054 -26.507 8.550 1.00 0.00 O ATOM 0 H GLY A 901 -5.086 -23.920 8.720 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -4.128 -25.275 10.899 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -5.866 -25.449 11.033 1.00 0.00 H new TER 1617 GLY A 901