USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 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 840 MET CE :methyl -107:sc= -2.52! (180deg=-4.67!) USER MOD Set 1.2: A 881 MET CE :methyl 147:sc= -2.92 (180deg=-1.24) USER MOD Set 2.1: A 845 THR OG1 : rot -106:sc= 0.377 USER MOD Set 2.2: A 892 ASN : amide:sc= 0.0159 X(o=0.39,f=0.13) USER MOD Set 3.1: A 811 LYS NZ :NH3+ -146:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 813 THR OG1 : rot -26:sc= 1.77 USER MOD Single : A 802 SER OG : rot 180:sc= 0 USER MOD Single : A 803 SER OG : rot 180:sc= 0 USER MOD Single : A 805 SER OG : rot -7:sc= 0.849! USER MOD Single : A 806 SER OG : rot 180:sc= -0.131 USER MOD Single : A 809 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 810 MET CE :methyl 144:sc= -0.0551 (180deg=-0.333) USER MOD Single : A 817 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 819 SER OG : rot 180:sc= 0 USER MOD Single : A 820 THR OG1 : rot 55:sc= 0.361 USER MOD Single : A 821 THR OG1 : rot 180:sc= 0 USER MOD Single : A 826 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 829 GLN : amide:sc= 0.15 K(o=0.15,f=-0.76) USER MOD Single : A 830 TYR OH : rot 180:sc= 0 USER MOD Single : A 831 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 848 HIS : no HD1:sc= -0.392 X(o=-0.39,f=-0.67) USER MOD Single : A 849 ASN : amide:sc= -0.0526 K(o=-0.053,f=-1) USER MOD Single : A 853 SER OG : rot 180:sc= 0 USER MOD Single : A 856 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 857 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.1) USER MOD Single : A 858 GLN : amide:sc= -0.0685 K(o=-0.069,f=-1.7!) USER MOD Single : A 860 LYS NZ :NH3+ -132:sc= 0.0467 (180deg=0) USER MOD Single : A 864 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 869 LYS NZ :NH3+ 165:sc= -0.0432 (180deg=-0.321) USER MOD Single : A 870 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0212) USER MOD Single : A 874 SER OG : rot 180:sc= 0 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 :FLIP amide:sc= -0.191 F(o=-0.79,f=-0.19) USER MOD Single : A 889 ASN : amide:sc= -0.2 K(o=-0.2,f=-1.8) USER MOD Single : A 890 GLN :FLIP amide:sc= 0.995 F(o=-0.75,f=0.99) USER MOD Single : A 891 TYR OH : rot 180:sc= 0 USER MOD Single : A 893 TYR OH : rot 180:sc= -0.182 USER MOD Single : A 896 SER OG : rot 180:sc= 0 USER MOD Single : A 899 SER OG : rot 180:sc= 0 USER MOD Single : A 900 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 801 27.956 -14.717 15.885 1.00 0.00 N ATOM 2 CA GLY A 801 27.202 -14.496 17.104 1.00 0.00 C ATOM 3 C GLY A 801 25.869 -13.822 16.848 1.00 0.00 C ATOM 4 O GLY A 801 25.652 -13.246 15.781 1.00 0.00 O ATOM 0 HA2 GLY A 801 27.033 -15.451 17.601 1.00 0.00 H new ATOM 0 HA3 GLY A 801 27.791 -13.882 17.785 1.00 0.00 H new ATOM 8 N SER A 802 24.973 -13.893 17.827 1.00 0.00 N ATOM 9 CA SER A 802 23.652 -13.290 17.700 1.00 0.00 C ATOM 10 C SER A 802 23.049 -13.007 19.072 1.00 0.00 C ATOM 11 O SER A 802 23.540 -13.494 20.090 1.00 0.00 O ATOM 12 CB SER A 802 22.723 -14.207 16.902 1.00 0.00 C ATOM 13 OG SER A 802 21.721 -13.462 16.232 1.00 0.00 O ATOM 0 H SER A 802 25.138 -14.362 18.717 1.00 0.00 H new ATOM 0 HA SER A 802 23.762 -12.345 17.169 1.00 0.00 H new ATOM 0 HB2 SER A 802 23.304 -14.775 16.176 1.00 0.00 H new ATOM 0 HB3 SER A 802 22.256 -14.929 17.572 1.00 0.00 H new ATOM 0 HG SER A 802 21.142 -14.071 15.728 1.00 0.00 H new ATOM 19 N SER A 803 21.981 -12.216 19.091 1.00 0.00 N ATOM 20 CA SER A 803 21.312 -11.864 20.339 1.00 0.00 C ATOM 21 C SER A 803 19.882 -12.394 20.357 1.00 0.00 C ATOM 22 O SER A 803 19.294 -12.663 19.310 1.00 0.00 O ATOM 23 CB SER A 803 21.308 -10.346 20.529 1.00 0.00 C ATOM 24 OG SER A 803 21.188 -9.676 19.285 1.00 0.00 O ATOM 0 H SER A 803 21.560 -11.807 18.257 1.00 0.00 H new ATOM 0 HA SER A 803 21.862 -12.324 21.160 1.00 0.00 H new ATOM 0 HB2 SER A 803 20.482 -10.060 21.181 1.00 0.00 H new ATOM 0 HB3 SER A 803 22.228 -10.036 21.025 1.00 0.00 H new ATOM 0 HG SER A 803 21.186 -8.707 19.434 1.00 0.00 H new ATOM 30 N GLY A 804 19.327 -12.542 21.556 1.00 0.00 N ATOM 31 CA GLY A 804 17.971 -13.040 21.690 1.00 0.00 C ATOM 32 C GLY A 804 17.133 -12.196 22.630 1.00 0.00 C ATOM 33 O GLY A 804 17.238 -12.323 23.850 1.00 0.00 O ATOM 0 H GLY A 804 19.793 -12.326 22.437 1.00 0.00 H new ATOM 0 HA2 GLY A 804 17.497 -13.064 20.709 1.00 0.00 H new ATOM 0 HA3 GLY A 804 17.999 -14.066 22.056 1.00 0.00 H new ATOM 37 N SER A 805 16.301 -11.329 22.062 1.00 0.00 N ATOM 38 CA SER A 805 15.446 -10.456 22.858 1.00 0.00 C ATOM 39 C SER A 805 14.377 -9.803 21.988 1.00 0.00 C ATOM 40 O SER A 805 14.686 -9.038 21.074 1.00 0.00 O ATOM 41 CB SER A 805 16.284 -9.380 23.550 1.00 0.00 C ATOM 42 OG SER A 805 16.557 -8.302 22.672 1.00 0.00 O ATOM 0 H SER A 805 16.201 -11.212 21.054 1.00 0.00 H new ATOM 0 HA SER A 805 14.952 -11.064 23.615 1.00 0.00 H new ATOM 0 HB2 SER A 805 15.755 -9.012 24.429 1.00 0.00 H new ATOM 0 HB3 SER A 805 17.221 -9.814 23.900 1.00 0.00 H new ATOM 0 HG SER A 805 16.247 -8.528 21.770 1.00 0.00 H new ATOM 48 N SER A 806 13.116 -10.110 22.278 1.00 0.00 N ATOM 49 CA SER A 806 12.000 -9.556 21.521 1.00 0.00 C ATOM 50 C SER A 806 10.733 -9.519 22.370 1.00 0.00 C ATOM 51 O SER A 806 10.618 -10.232 23.365 1.00 0.00 O ATOM 52 CB SER A 806 11.756 -10.381 20.256 1.00 0.00 C ATOM 53 OG SER A 806 10.555 -9.987 19.614 1.00 0.00 O ATOM 0 H SER A 806 12.842 -10.740 23.032 1.00 0.00 H new ATOM 0 HA SER A 806 12.256 -8.535 21.237 1.00 0.00 H new ATOM 0 HB2 SER A 806 12.595 -10.259 19.571 1.00 0.00 H new ATOM 0 HB3 SER A 806 11.705 -11.439 20.512 1.00 0.00 H new ATOM 0 HG SER A 806 10.423 -10.528 18.808 1.00 0.00 H new ATOM 59 N GLY A 807 9.783 -8.679 21.968 1.00 0.00 N ATOM 60 CA GLY A 807 8.537 -8.563 22.702 1.00 0.00 C ATOM 61 C GLY A 807 7.600 -7.538 22.094 1.00 0.00 C ATOM 62 O GLY A 807 6.379 -7.670 22.189 1.00 0.00 O ATOM 0 H GLY A 807 9.855 -8.077 21.147 1.00 0.00 H new ATOM 0 HA2 GLY A 807 8.042 -9.534 22.727 1.00 0.00 H new ATOM 0 HA3 GLY A 807 8.751 -8.288 23.735 1.00 0.00 H new ATOM 66 N ILE A 808 8.171 -6.514 21.470 1.00 0.00 N ATOM 67 CA ILE A 808 7.378 -5.462 20.845 1.00 0.00 C ATOM 68 C ILE A 808 6.369 -6.046 19.861 1.00 0.00 C ATOM 69 O ILE A 808 6.736 -6.781 18.945 1.00 0.00 O ATOM 70 CB ILE A 808 8.270 -4.447 20.107 1.00 0.00 C ATOM 71 CG1 ILE A 808 7.479 -3.177 19.787 1.00 0.00 C ATOM 72 CG2 ILE A 808 8.831 -5.063 18.833 1.00 0.00 C ATOM 73 CD1 ILE A 808 7.095 -2.380 21.014 1.00 0.00 C ATOM 0 H ILE A 808 9.180 -6.390 21.383 1.00 0.00 H new ATOM 0 HA ILE A 808 6.846 -4.949 21.646 1.00 0.00 H new ATOM 0 HB ILE A 808 9.104 -4.179 20.756 1.00 0.00 H new ATOM 0 HG12 ILE A 808 8.072 -2.546 19.125 1.00 0.00 H new ATOM 0 HG13 ILE A 808 6.575 -3.449 19.243 1.00 0.00 H new ATOM 0 HG21 ILE A 808 9.459 -4.333 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 808 9.426 -5.941 19.085 1.00 0.00 H new ATOM 0 HG23 ILE A 808 8.010 -5.356 18.178 1.00 0.00 H new ATOM 0 HD11 ILE A 808 6.537 -1.494 20.712 1.00 0.00 H new ATOM 0 HD12 ILE A 808 6.475 -2.994 21.667 1.00 0.00 H new ATOM 0 HD13 ILE A 808 7.996 -2.077 21.548 1.00 0.00 H new ATOM 85 N GLN A 809 5.098 -5.711 20.057 1.00 0.00 N ATOM 86 CA GLN A 809 4.036 -6.201 19.186 1.00 0.00 C ATOM 87 C GLN A 809 3.132 -5.059 18.734 1.00 0.00 C ATOM 88 O GLN A 809 3.332 -3.907 19.118 1.00 0.00 O ATOM 89 CB GLN A 809 3.209 -7.268 19.905 1.00 0.00 C ATOM 90 CG GLN A 809 2.300 -6.707 20.986 1.00 0.00 C ATOM 91 CD GLN A 809 1.819 -7.771 21.954 1.00 0.00 C ATOM 92 OE1 GLN A 809 2.581 -8.255 22.791 1.00 0.00 O ATOM 93 NE2 GLN A 809 0.548 -8.140 21.844 1.00 0.00 N ATOM 0 H GLN A 809 4.779 -5.103 20.811 1.00 0.00 H new ATOM 0 HA GLN A 809 4.499 -6.644 18.304 1.00 0.00 H new ATOM 0 HB2 GLN A 809 2.603 -7.801 19.172 1.00 0.00 H new ATOM 0 HB3 GLN A 809 3.883 -7.998 20.352 1.00 0.00 H new ATOM 0 HG2 GLN A 809 2.833 -5.933 21.538 1.00 0.00 H new ATOM 0 HG3 GLN A 809 1.438 -6.229 20.519 1.00 0.00 H new ATOM 0 HE21 GLN A 809 -0.048 -7.712 21.135 1.00 0.00 H new ATOM 0 HE22 GLN A 809 0.168 -8.851 22.468 1.00 0.00 H new ATOM 102 N MET A 810 2.137 -5.387 17.917 1.00 0.00 N ATOM 103 CA MET A 810 1.201 -4.388 17.414 1.00 0.00 C ATOM 104 C MET A 810 -0.173 -4.558 18.054 1.00 0.00 C ATOM 105 O MET A 810 -0.373 -5.437 18.893 1.00 0.00 O ATOM 106 CB MET A 810 1.083 -4.489 15.892 1.00 0.00 C ATOM 107 CG MET A 810 0.421 -5.773 15.418 1.00 0.00 C ATOM 108 SD MET A 810 -0.274 -5.625 13.761 1.00 0.00 S ATOM 109 CE MET A 810 -2.024 -5.541 14.134 1.00 0.00 C ATOM 0 H MET A 810 1.958 -6.336 17.589 1.00 0.00 H new ATOM 0 HA MET A 810 1.585 -3.402 17.677 1.00 0.00 H new ATOM 0 HB2 MET A 810 0.512 -3.637 15.523 1.00 0.00 H new ATOM 0 HB3 MET A 810 2.078 -4.419 15.453 1.00 0.00 H new ATOM 0 HG2 MET A 810 1.153 -6.581 15.430 1.00 0.00 H new ATOM 0 HG3 MET A 810 -0.369 -6.049 16.116 1.00 0.00 H new ATOM 0 HE1 MET A 810 -2.512 -4.860 13.437 1.00 0.00 H new ATOM 0 HE2 MET A 810 -2.464 -6.534 14.040 1.00 0.00 H new ATOM 0 HE3 MET A 810 -2.162 -5.178 15.152 1.00 0.00 H new ATOM 119 N LYS A 811 -1.116 -3.712 17.655 1.00 0.00 N ATOM 120 CA LYS A 811 -2.472 -3.769 18.189 1.00 0.00 C ATOM 121 C LYS A 811 -3.502 -3.605 17.076 1.00 0.00 C ATOM 122 O LYS A 811 -3.237 -2.958 16.064 1.00 0.00 O ATOM 123 CB LYS A 811 -2.671 -2.682 19.248 1.00 0.00 C ATOM 124 CG LYS A 811 -4.082 -2.629 19.807 1.00 0.00 C ATOM 125 CD LYS A 811 -4.331 -1.339 20.570 1.00 0.00 C ATOM 126 CE LYS A 811 -5.401 -1.520 21.636 1.00 0.00 C ATOM 127 NZ LYS A 811 -6.754 -1.701 21.039 1.00 0.00 N ATOM 0 H LYS A 811 -0.966 -2.978 16.963 1.00 0.00 H new ATOM 0 HA LYS A 811 -2.614 -4.747 18.650 1.00 0.00 H new ATOM 0 HB2 LYS A 811 -1.971 -2.851 20.066 1.00 0.00 H new ATOM 0 HB3 LYS A 811 -2.425 -1.713 18.813 1.00 0.00 H new ATOM 0 HG2 LYS A 811 -4.801 -2.715 18.992 1.00 0.00 H new ATOM 0 HG3 LYS A 811 -4.245 -3.481 20.467 1.00 0.00 H new ATOM 0 HD2 LYS A 811 -3.404 -1.006 21.036 1.00 0.00 H new ATOM 0 HD3 LYS A 811 -4.637 -0.557 19.875 1.00 0.00 H new ATOM 0 HE2 LYS A 811 -5.157 -2.386 22.252 1.00 0.00 H new ATOM 0 HE3 LYS A 811 -5.408 -0.652 22.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 811 -7.468 -1.265 21.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 811 -6.784 -1.248 20.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 811 -6.956 -2.716 20.939 1.00 0.00 H new ATOM 141 N GLU A 812 -4.678 -4.193 17.273 1.00 0.00 N ATOM 142 CA GLU A 812 -5.747 -4.110 16.286 1.00 0.00 C ATOM 143 C GLU A 812 -6.649 -2.909 16.559 1.00 0.00 C ATOM 144 O GLU A 812 -7.536 -2.965 17.412 1.00 0.00 O ATOM 145 CB GLU A 812 -6.577 -5.396 16.290 1.00 0.00 C ATOM 146 CG GLU A 812 -7.783 -5.345 15.367 1.00 0.00 C ATOM 147 CD GLU A 812 -8.607 -6.618 15.414 1.00 0.00 C ATOM 148 OE1 GLU A 812 -8.054 -7.694 15.105 1.00 0.00 O ATOM 149 OE2 GLU A 812 -9.804 -6.537 15.760 1.00 0.00 O ATOM 0 H GLU A 812 -4.914 -4.731 18.107 1.00 0.00 H new ATOM 0 HA GLU A 812 -5.290 -3.984 15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 812 -5.940 -6.230 15.996 1.00 0.00 H new ATOM 0 HB3 GLU A 812 -6.916 -5.596 17.306 1.00 0.00 H new ATOM 0 HG2 GLU A 812 -8.412 -4.499 15.643 1.00 0.00 H new ATOM 0 HG3 GLU A 812 -7.447 -5.172 14.345 1.00 0.00 H new ATOM 156 N THR A 813 -6.415 -1.823 15.830 1.00 0.00 N ATOM 157 CA THR A 813 -7.203 -0.608 15.994 1.00 0.00 C ATOM 158 C THR A 813 -7.009 0.337 14.814 1.00 0.00 C ATOM 159 O THR A 813 -5.883 0.577 14.376 1.00 0.00 O ATOM 160 CB THR A 813 -6.833 0.130 17.294 1.00 0.00 C ATOM 161 OG1 THR A 813 -7.002 -0.742 18.417 1.00 0.00 O ATOM 162 CG2 THR A 813 -7.694 1.371 17.476 1.00 0.00 C ATOM 0 H THR A 813 -5.686 -1.760 15.120 1.00 0.00 H new ATOM 0 HA THR A 813 -8.248 -0.914 16.043 1.00 0.00 H new ATOM 0 HB THR A 813 -5.790 0.438 17.226 1.00 0.00 H new ATOM 0 HG1 THR A 813 -7.668 -1.428 18.201 1.00 0.00 H new ATOM 0 HG21 THR A 813 -7.414 1.875 18.401 1.00 0.00 H new ATOM 0 HG22 THR A 813 -7.542 2.046 16.634 1.00 0.00 H new ATOM 0 HG23 THR A 813 -8.744 1.082 17.524 1.00 0.00 H new ATOM 170 N VAL A 814 -8.113 0.872 14.302 1.00 0.00 N ATOM 171 CA VAL A 814 -8.063 1.793 13.172 1.00 0.00 C ATOM 172 C VAL A 814 -8.419 3.211 13.604 1.00 0.00 C ATOM 173 O VAL A 814 -9.594 3.551 13.744 1.00 0.00 O ATOM 174 CB VAL A 814 -9.021 1.355 12.048 1.00 0.00 C ATOM 175 CG1 VAL A 814 -8.956 2.328 10.881 1.00 0.00 C ATOM 176 CG2 VAL A 814 -8.695 -0.060 11.593 1.00 0.00 C ATOM 0 H VAL A 814 -9.053 0.684 14.651 1.00 0.00 H new ATOM 0 HA VAL A 814 -7.041 1.776 12.795 1.00 0.00 H new ATOM 0 HB VAL A 814 -10.039 1.362 12.438 1.00 0.00 H new ATOM 0 HG11 VAL A 814 -9.639 2.002 10.097 1.00 0.00 H new ATOM 0 HG12 VAL A 814 -9.242 3.323 11.221 1.00 0.00 H new ATOM 0 HG13 VAL A 814 -7.940 2.357 10.488 1.00 0.00 H new ATOM 0 HG21 VAL A 814 -9.381 -0.354 10.799 1.00 0.00 H new ATOM 0 HG22 VAL A 814 -7.671 -0.096 11.220 1.00 0.00 H new ATOM 0 HG23 VAL A 814 -8.799 -0.746 12.434 1.00 0.00 H new ATOM 186 N GLU A 815 -7.397 4.035 13.813 1.00 0.00 N ATOM 187 CA GLU A 815 -7.603 5.417 14.229 1.00 0.00 C ATOM 188 C GLU A 815 -6.999 6.386 13.216 1.00 0.00 C ATOM 189 O GLU A 815 -5.974 6.097 12.601 1.00 0.00 O ATOM 190 CB GLU A 815 -6.986 5.655 15.609 1.00 0.00 C ATOM 191 CG GLU A 815 -7.315 7.017 16.196 1.00 0.00 C ATOM 192 CD GLU A 815 -8.745 7.108 16.693 1.00 0.00 C ATOM 193 OE1 GLU A 815 -9.628 6.470 16.082 1.00 0.00 O ATOM 194 OE2 GLU A 815 -8.981 7.818 17.693 1.00 0.00 O ATOM 0 H GLU A 815 -6.419 3.769 13.701 1.00 0.00 H new ATOM 0 HA GLU A 815 -8.677 5.597 14.283 1.00 0.00 H new ATOM 0 HB2 GLU A 815 -7.335 4.880 16.292 1.00 0.00 H new ATOM 0 HB3 GLU A 815 -5.903 5.552 15.536 1.00 0.00 H new ATOM 0 HG2 GLU A 815 -6.634 7.227 17.020 1.00 0.00 H new ATOM 0 HG3 GLU A 815 -7.147 7.784 15.440 1.00 0.00 H new ATOM 201 N GLU A 816 -7.645 7.536 13.049 1.00 0.00 N ATOM 202 CA GLU A 816 -7.172 8.547 12.110 1.00 0.00 C ATOM 203 C GLU A 816 -7.631 9.939 12.534 1.00 0.00 C ATOM 204 O GLU A 816 -8.813 10.268 12.444 1.00 0.00 O ATOM 205 CB GLU A 816 -7.676 8.239 10.699 1.00 0.00 C ATOM 206 CG GLU A 816 -9.120 7.767 10.658 1.00 0.00 C ATOM 207 CD GLU A 816 -9.261 6.292 10.981 1.00 0.00 C ATOM 208 OE1 GLU A 816 -8.754 5.461 10.199 1.00 0.00 O ATOM 209 OE2 GLU A 816 -9.879 5.969 12.018 1.00 0.00 O ATOM 0 H GLU A 816 -8.496 7.791 13.551 1.00 0.00 H new ATOM 0 HA GLU A 816 -6.082 8.527 12.111 1.00 0.00 H new ATOM 0 HB2 GLU A 816 -7.577 9.133 10.084 1.00 0.00 H new ATOM 0 HB3 GLU A 816 -7.040 7.474 10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 816 -9.709 8.348 11.368 1.00 0.00 H new ATOM 0 HG3 GLU A 816 -9.533 7.959 9.668 1.00 0.00 H new ATOM 216 N GLN A 817 -6.686 10.752 12.995 1.00 0.00 N ATOM 217 CA GLN A 817 -6.993 12.108 13.433 1.00 0.00 C ATOM 218 C GLN A 817 -5.937 13.092 12.940 1.00 0.00 C ATOM 219 O GLN A 817 -4.738 12.860 13.093 1.00 0.00 O ATOM 220 CB GLN A 817 -7.086 12.165 14.959 1.00 0.00 C ATOM 221 CG GLN A 817 -8.200 11.304 15.533 1.00 0.00 C ATOM 222 CD GLN A 817 -9.543 12.008 15.528 1.00 0.00 C ATOM 223 OE1 GLN A 817 -10.166 12.173 14.479 1.00 0.00 O ATOM 224 NE2 GLN A 817 -9.997 12.426 16.703 1.00 0.00 N ATOM 0 H GLN A 817 -5.702 10.495 13.075 1.00 0.00 H new ATOM 0 HA GLN A 817 -7.955 12.391 13.006 1.00 0.00 H new ATOM 0 HB2 GLN A 817 -6.135 11.845 15.385 1.00 0.00 H new ATOM 0 HB3 GLN A 817 -7.242 13.199 15.267 1.00 0.00 H new ATOM 0 HG2 GLN A 817 -8.275 10.382 14.957 1.00 0.00 H new ATOM 0 HG3 GLN A 817 -7.946 11.021 16.555 1.00 0.00 H new ATOM 0 HE21 GLN A 817 -9.447 12.268 17.548 1.00 0.00 H new ATOM 0 HE22 GLN A 817 -10.896 12.905 16.761 1.00 0.00 H new ATOM 233 N ALA A 818 -6.391 14.192 12.347 1.00 0.00 N ATOM 234 CA ALA A 818 -5.486 15.211 11.832 1.00 0.00 C ATOM 235 C ALA A 818 -5.175 16.258 12.898 1.00 0.00 C ATOM 236 O ALA A 818 -5.844 17.287 12.983 1.00 0.00 O ATOM 237 CB ALA A 818 -6.082 15.873 10.599 1.00 0.00 C ATOM 0 H ALA A 818 -7.380 14.399 12.212 1.00 0.00 H new ATOM 0 HA ALA A 818 -4.552 14.724 11.553 1.00 0.00 H new ATOM 0 HB1 ALA A 818 -5.395 16.632 10.225 1.00 0.00 H new ATOM 0 HB2 ALA A 818 -6.248 15.122 9.827 1.00 0.00 H new ATOM 0 HB3 ALA A 818 -7.032 16.340 10.860 1.00 0.00 H new ATOM 243 N SER A 819 -4.157 15.986 13.708 1.00 0.00 N ATOM 244 CA SER A 819 -3.760 16.903 14.771 1.00 0.00 C ATOM 245 C SER A 819 -2.444 16.463 15.404 1.00 0.00 C ATOM 246 O SER A 819 -2.127 15.274 15.447 1.00 0.00 O ATOM 247 CB SER A 819 -4.852 16.980 15.839 1.00 0.00 C ATOM 248 OG SER A 819 -4.738 18.171 16.600 1.00 0.00 O ATOM 0 H SER A 819 -3.592 15.139 13.649 1.00 0.00 H new ATOM 0 HA SER A 819 -3.619 17.891 14.332 1.00 0.00 H new ATOM 0 HB2 SER A 819 -5.833 16.940 15.365 1.00 0.00 H new ATOM 0 HB3 SER A 819 -4.782 16.115 16.499 1.00 0.00 H new ATOM 0 HG SER A 819 -5.448 18.197 17.275 1.00 0.00 H new ATOM 254 N THR A 820 -1.678 17.432 15.895 1.00 0.00 N ATOM 255 CA THR A 820 -0.395 17.148 16.525 1.00 0.00 C ATOM 256 C THR A 820 -0.579 16.354 17.814 1.00 0.00 C ATOM 257 O THR A 820 -0.755 16.928 18.889 1.00 0.00 O ATOM 258 CB THR A 820 0.376 18.444 16.840 1.00 0.00 C ATOM 259 OG1 THR A 820 -0.471 19.360 17.542 1.00 0.00 O ATOM 260 CG2 THR A 820 0.886 19.094 15.562 1.00 0.00 C ATOM 0 H THR A 820 -1.924 18.421 15.868 1.00 0.00 H new ATOM 0 HA THR A 820 0.181 16.555 15.815 1.00 0.00 H new ATOM 0 HB THR A 820 1.231 18.189 17.466 1.00 0.00 H new ATOM 0 HG1 THR A 820 -0.836 18.923 18.340 1.00 0.00 H new ATOM 0 HG21 THR A 820 1.427 20.007 15.809 1.00 0.00 H new ATOM 0 HG22 THR A 820 1.554 18.405 15.045 1.00 0.00 H new ATOM 0 HG23 THR A 820 0.043 19.336 14.915 1.00 0.00 H new ATOM 268 N THR A 821 -0.537 15.030 17.699 1.00 0.00 N ATOM 269 CA THR A 821 -0.700 14.158 18.855 1.00 0.00 C ATOM 270 C THR A 821 0.230 12.953 18.770 1.00 0.00 C ATOM 271 O THR A 821 0.436 12.393 17.694 1.00 0.00 O ATOM 272 CB THR A 821 -2.153 13.662 18.985 1.00 0.00 C ATOM 273 OG1 THR A 821 -3.049 14.779 19.031 1.00 0.00 O ATOM 274 CG2 THR A 821 -2.326 12.815 20.236 1.00 0.00 C ATOM 0 H THR A 821 -0.391 14.539 16.817 1.00 0.00 H new ATOM 0 HA THR A 821 -0.446 14.749 19.735 1.00 0.00 H new ATOM 0 HB THR A 821 -2.383 13.047 18.115 1.00 0.00 H new ATOM 0 HG1 THR A 821 -3.971 14.456 19.112 1.00 0.00 H new ATOM 0 HG21 THR A 821 -3.360 12.476 20.306 1.00 0.00 H new ATOM 0 HG22 THR A 821 -1.664 11.951 20.185 1.00 0.00 H new ATOM 0 HG23 THR A 821 -2.079 13.410 21.115 1.00 0.00 H new ATOM 282 N GLU A 822 0.788 12.559 19.911 1.00 0.00 N ATOM 283 CA GLU A 822 1.696 11.420 19.963 1.00 0.00 C ATOM 284 C GLU A 822 1.285 10.350 18.955 1.00 0.00 C ATOM 285 O GLU A 822 2.132 9.668 18.378 1.00 0.00 O ATOM 286 CB GLU A 822 1.723 10.825 21.372 1.00 0.00 C ATOM 287 CG GLU A 822 2.378 11.730 22.403 1.00 0.00 C ATOM 288 CD GLU A 822 2.815 10.980 23.645 1.00 0.00 C ATOM 289 OE1 GLU A 822 1.942 10.406 24.330 1.00 0.00 O ATOM 290 OE2 GLU A 822 4.030 10.966 23.933 1.00 0.00 O ATOM 0 H GLU A 822 0.627 13.012 20.811 1.00 0.00 H new ATOM 0 HA GLU A 822 2.695 11.772 19.706 1.00 0.00 H new ATOM 0 HB2 GLU A 822 0.702 10.610 21.686 1.00 0.00 H new ATOM 0 HB3 GLU A 822 2.255 9.874 21.346 1.00 0.00 H new ATOM 0 HG2 GLU A 822 3.243 12.218 21.955 1.00 0.00 H new ATOM 0 HG3 GLU A 822 1.679 12.517 22.686 1.00 0.00 H new ATOM 297 N ARG A 823 -0.020 10.209 18.750 1.00 0.00 N ATOM 298 CA ARG A 823 -0.544 9.221 17.815 1.00 0.00 C ATOM 299 C ARG A 823 0.188 9.297 16.478 1.00 0.00 C ATOM 300 O ARG A 823 0.662 8.286 15.959 1.00 0.00 O ATOM 301 CB ARG A 823 -2.044 9.435 17.600 1.00 0.00 C ATOM 302 CG ARG A 823 -2.872 9.243 18.860 1.00 0.00 C ATOM 303 CD ARG A 823 -2.741 7.829 19.403 1.00 0.00 C ATOM 304 NE ARG A 823 -3.925 7.420 20.155 1.00 0.00 N ATOM 305 CZ ARG A 823 -3.980 6.317 20.894 1.00 0.00 C ATOM 306 NH1 ARG A 823 -2.926 5.519 20.980 1.00 0.00 N ATOM 307 NH2 ARG A 823 -5.093 6.012 21.549 1.00 0.00 N ATOM 0 H ARG A 823 -0.734 10.766 19.219 1.00 0.00 H new ATOM 0 HA ARG A 823 -0.383 8.232 18.243 1.00 0.00 H new ATOM 0 HB2 ARG A 823 -2.208 10.442 17.218 1.00 0.00 H new ATOM 0 HB3 ARG A 823 -2.396 8.743 16.835 1.00 0.00 H new ATOM 0 HG2 ARG A 823 -2.552 9.956 19.619 1.00 0.00 H new ATOM 0 HG3 ARG A 823 -3.919 9.455 18.644 1.00 0.00 H new ATOM 0 HD2 ARG A 823 -2.579 7.137 18.577 1.00 0.00 H new ATOM 0 HD3 ARG A 823 -1.863 7.768 20.047 1.00 0.00 H new ATOM 0 HE ARG A 823 -4.754 8.013 20.110 1.00 0.00 H new ATOM 0 HH11 ARG A 823 -2.069 5.750 20.478 1.00 0.00 H new ATOM 0 HH12 ARG A 823 -2.972 4.673 21.548 1.00 0.00 H new ATOM 0 HH21 ARG A 823 -5.906 6.624 21.485 1.00 0.00 H new ATOM 0 HH22 ARG A 823 -5.135 5.165 22.116 1.00 0.00 H new ATOM 321 N VAL A 824 0.275 10.502 15.924 1.00 0.00 N ATOM 322 CA VAL A 824 0.949 10.711 14.648 1.00 0.00 C ATOM 323 C VAL A 824 2.265 9.944 14.590 1.00 0.00 C ATOM 324 O VAL A 824 2.766 9.629 13.510 1.00 0.00 O ATOM 325 CB VAL A 824 1.227 12.205 14.398 1.00 0.00 C ATOM 326 CG1 VAL A 824 2.272 12.725 15.373 1.00 0.00 C ATOM 327 CG2 VAL A 824 1.668 12.430 12.960 1.00 0.00 C ATOM 0 H VAL A 824 -0.113 11.349 16.339 1.00 0.00 H new ATOM 0 HA VAL A 824 0.280 10.339 13.872 1.00 0.00 H new ATOM 0 HB VAL A 824 0.304 12.761 14.563 1.00 0.00 H new ATOM 0 HG11 VAL A 824 2.455 13.782 15.181 1.00 0.00 H new ATOM 0 HG12 VAL A 824 1.912 12.599 16.394 1.00 0.00 H new ATOM 0 HG13 VAL A 824 3.199 12.167 15.244 1.00 0.00 H new ATOM 0 HG21 VAL A 824 1.860 13.491 12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 824 2.578 11.863 12.766 1.00 0.00 H new ATOM 0 HG23 VAL A 824 0.882 12.098 12.282 1.00 0.00 H new ATOM 337 N PHE A 825 2.821 9.644 15.760 1.00 0.00 N ATOM 338 CA PHE A 825 4.080 8.913 15.842 1.00 0.00 C ATOM 339 C PHE A 825 3.905 7.472 15.372 1.00 0.00 C ATOM 340 O PHE A 825 4.666 6.985 14.537 1.00 0.00 O ATOM 341 CB PHE A 825 4.611 8.932 17.277 1.00 0.00 C ATOM 342 CG PHE A 825 5.932 8.235 17.436 1.00 0.00 C ATOM 343 CD1 PHE A 825 7.043 8.654 16.721 1.00 0.00 C ATOM 344 CD2 PHE A 825 6.064 7.160 18.301 1.00 0.00 C ATOM 345 CE1 PHE A 825 8.260 8.016 16.865 1.00 0.00 C ATOM 346 CE2 PHE A 825 7.279 6.518 18.449 1.00 0.00 C ATOM 347 CZ PHE A 825 8.378 6.945 17.730 1.00 0.00 C ATOM 0 H PHE A 825 2.420 9.896 16.663 1.00 0.00 H new ATOM 0 HA PHE A 825 4.800 9.404 15.188 1.00 0.00 H new ATOM 0 HB2 PHE A 825 4.713 9.967 17.605 1.00 0.00 H new ATOM 0 HB3 PHE A 825 3.879 8.461 17.933 1.00 0.00 H new ATOM 0 HD1 PHE A 825 6.956 9.490 16.043 1.00 0.00 H new ATOM 0 HD2 PHE A 825 5.208 6.820 18.865 1.00 0.00 H new ATOM 0 HE1 PHE A 825 9.118 8.354 16.302 1.00 0.00 H new ATOM 0 HE2 PHE A 825 7.369 5.682 19.127 1.00 0.00 H new ATOM 0 HZ PHE A 825 9.327 6.443 17.844 1.00 0.00 H new ATOM 357 N GLN A 826 2.897 6.797 15.915 1.00 0.00 N ATOM 358 CA GLN A 826 2.622 5.412 15.552 1.00 0.00 C ATOM 359 C GLN A 826 2.278 5.295 14.071 1.00 0.00 C ATOM 360 O GLN A 826 2.957 4.594 13.320 1.00 0.00 O ATOM 361 CB GLN A 826 1.475 4.858 16.399 1.00 0.00 C ATOM 362 CG GLN A 826 1.930 4.240 17.711 1.00 0.00 C ATOM 363 CD GLN A 826 0.771 3.874 18.617 1.00 0.00 C ATOM 364 OE1 GLN A 826 0.521 2.698 18.880 1.00 0.00 O ATOM 365 NE2 GLN A 826 0.056 4.883 19.100 1.00 0.00 N ATOM 0 H GLN A 826 2.258 7.187 16.608 1.00 0.00 H new ATOM 0 HA GLN A 826 3.522 4.828 15.745 1.00 0.00 H new ATOM 0 HB2 GLN A 826 0.770 5.662 16.611 1.00 0.00 H new ATOM 0 HB3 GLN A 826 0.937 4.107 15.820 1.00 0.00 H new ATOM 0 HG2 GLN A 826 2.519 3.347 17.502 1.00 0.00 H new ATOM 0 HG3 GLN A 826 2.585 4.940 18.230 1.00 0.00 H new ATOM 0 HE21 GLN A 826 0.299 5.843 18.856 1.00 0.00 H new ATOM 0 HE22 GLN A 826 -0.736 4.698 19.715 1.00 0.00 H new ATOM 374 N ASP A 827 1.222 5.986 13.657 1.00 0.00 N ATOM 375 CA ASP A 827 0.788 5.960 12.265 1.00 0.00 C ATOM 376 C ASP A 827 1.987 5.892 11.324 1.00 0.00 C ATOM 377 O ASP A 827 1.943 5.217 10.295 1.00 0.00 O ATOM 378 CB ASP A 827 -0.055 7.197 11.949 1.00 0.00 C ATOM 379 CG ASP A 827 -0.801 7.068 10.635 1.00 0.00 C ATOM 380 OD1 ASP A 827 -1.530 6.070 10.463 1.00 0.00 O ATOM 381 OD2 ASP A 827 -0.654 7.965 9.779 1.00 0.00 O ATOM 0 H ASP A 827 0.650 6.571 14.266 1.00 0.00 H new ATOM 0 HA ASP A 827 0.180 5.068 12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 827 -0.770 7.362 12.755 1.00 0.00 H new ATOM 0 HB3 ASP A 827 0.591 8.074 11.912 1.00 0.00 H new ATOM 386 N ARG A 828 3.056 6.595 11.683 1.00 0.00 N ATOM 387 CA ARG A 828 4.265 6.616 10.870 1.00 0.00 C ATOM 388 C ARG A 828 4.959 5.257 10.893 1.00 0.00 C ATOM 389 O ARG A 828 4.916 4.512 9.914 1.00 0.00 O ATOM 390 CB ARG A 828 5.223 7.698 11.370 1.00 0.00 C ATOM 391 CG ARG A 828 4.935 9.078 10.800 1.00 0.00 C ATOM 392 CD ARG A 828 6.170 9.964 10.836 1.00 0.00 C ATOM 393 NE ARG A 828 6.270 10.714 12.085 1.00 0.00 N ATOM 394 CZ ARG A 828 7.400 11.249 12.533 1.00 0.00 C ATOM 395 NH1 ARG A 828 8.521 11.118 11.837 1.00 0.00 N ATOM 396 NH2 ARG A 828 7.410 11.918 13.679 1.00 0.00 N ATOM 0 H ARG A 828 3.109 7.158 12.532 1.00 0.00 H new ATOM 0 HA ARG A 828 3.978 6.841 9.843 1.00 0.00 H new ATOM 0 HB2 ARG A 828 5.169 7.745 12.458 1.00 0.00 H new ATOM 0 HB3 ARG A 828 6.244 7.414 11.114 1.00 0.00 H new ATOM 0 HG2 ARG A 828 4.584 8.983 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 828 4.132 9.548 11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 828 7.061 9.349 10.710 1.00 0.00 H new ATOM 0 HD3 ARG A 828 6.142 10.659 9.997 1.00 0.00 H new ATOM 0 HE ARG A 828 5.425 10.834 12.644 1.00 0.00 H new ATOM 0 HH11 ARG A 828 8.517 10.605 10.955 1.00 0.00 H new ATOM 0 HH12 ARG A 828 9.387 11.530 12.183 1.00 0.00 H new ATOM 0 HH21 ARG A 828 6.549 12.022 14.217 1.00 0.00 H new ATOM 0 HH22 ARG A 828 8.278 12.329 14.022 1.00 0.00 H new ATOM 410 N GLN A 829 5.598 4.944 12.015 1.00 0.00 N ATOM 411 CA GLN A 829 6.302 3.675 12.164 1.00 0.00 C ATOM 412 C GLN A 829 5.513 2.537 11.526 1.00 0.00 C ATOM 413 O GLN A 829 6.092 1.589 10.994 1.00 0.00 O ATOM 414 CB GLN A 829 6.547 3.375 13.644 1.00 0.00 C ATOM 415 CG GLN A 829 5.353 2.747 14.343 1.00 0.00 C ATOM 416 CD GLN A 829 5.686 2.251 15.736 1.00 0.00 C ATOM 417 OE1 GLN A 829 6.770 2.515 16.259 1.00 0.00 O ATOM 418 NE2 GLN A 829 4.754 1.529 16.347 1.00 0.00 N ATOM 0 H GLN A 829 5.643 5.551 12.834 1.00 0.00 H new ATOM 0 HA GLN A 829 7.262 3.758 11.654 1.00 0.00 H new ATOM 0 HB2 GLN A 829 7.403 2.706 13.734 1.00 0.00 H new ATOM 0 HB3 GLN A 829 6.811 4.301 14.155 1.00 0.00 H new ATOM 0 HG2 GLN A 829 4.547 3.478 14.405 1.00 0.00 H new ATOM 0 HG3 GLN A 829 4.983 1.915 13.744 1.00 0.00 H new ATOM 0 HE21 GLN A 829 3.870 1.334 15.877 1.00 0.00 H new ATOM 0 HE22 GLN A 829 4.922 1.169 17.287 1.00 0.00 H new ATOM 427 N TYR A 830 4.190 2.636 11.582 1.00 0.00 N ATOM 428 CA TYR A 830 3.321 1.613 11.011 1.00 0.00 C ATOM 429 C TYR A 830 3.288 1.714 9.489 1.00 0.00 C ATOM 430 O TYR A 830 3.307 0.702 8.790 1.00 0.00 O ATOM 431 CB TYR A 830 1.905 1.745 11.574 1.00 0.00 C ATOM 432 CG TYR A 830 1.744 1.152 12.955 1.00 0.00 C ATOM 433 CD1 TYR A 830 1.805 -0.222 13.154 1.00 0.00 C ATOM 434 CD2 TYR A 830 1.531 1.965 14.062 1.00 0.00 C ATOM 435 CE1 TYR A 830 1.658 -0.768 14.414 1.00 0.00 C ATOM 436 CE2 TYR A 830 1.384 1.428 15.325 1.00 0.00 C ATOM 437 CZ TYR A 830 1.449 0.060 15.497 1.00 0.00 C ATOM 438 OH TYR A 830 1.302 -0.479 16.754 1.00 0.00 O ATOM 0 H TYR A 830 3.695 3.415 12.017 1.00 0.00 H new ATOM 0 HA TYR A 830 3.723 0.637 11.283 1.00 0.00 H new ATOM 0 HB2 TYR A 830 1.633 2.800 11.607 1.00 0.00 H new ATOM 0 HB3 TYR A 830 1.206 1.257 10.895 1.00 0.00 H new ATOM 0 HD1 TYR A 830 1.970 -0.874 12.309 1.00 0.00 H new ATOM 0 HD2 TYR A 830 1.480 3.036 13.932 1.00 0.00 H new ATOM 0 HE1 TYR A 830 1.706 -1.838 14.551 1.00 0.00 H new ATOM 0 HE2 TYR A 830 1.219 2.075 16.174 1.00 0.00 H new ATOM 0 HH TYR A 830 1.163 0.241 17.404 1.00 0.00 H new ATOM 448 N GLN A 831 3.238 2.942 8.985 1.00 0.00 N ATOM 449 CA GLN A 831 3.202 3.176 7.546 1.00 0.00 C ATOM 450 C GLN A 831 4.439 2.595 6.869 1.00 0.00 C ATOM 451 O GLN A 831 4.336 1.905 5.854 1.00 0.00 O ATOM 452 CB GLN A 831 3.103 4.674 7.254 1.00 0.00 C ATOM 453 CG GLN A 831 1.683 5.214 7.318 1.00 0.00 C ATOM 454 CD GLN A 831 0.903 4.958 6.044 1.00 0.00 C ATOM 455 OE1 GLN A 831 0.039 4.083 5.996 1.00 0.00 O ATOM 456 NE2 GLN A 831 1.205 5.724 5.001 1.00 0.00 N ATOM 0 H GLN A 831 3.221 3.790 9.551 1.00 0.00 H new ATOM 0 HA GLN A 831 2.321 2.676 7.144 1.00 0.00 H new ATOM 0 HB2 GLN A 831 3.722 5.217 7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 831 3.513 4.871 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 831 1.161 4.754 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 831 1.715 6.286 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 831 1.929 6.438 5.085 1.00 0.00 H new ATOM 0 HE22 GLN A 831 0.713 5.598 4.116 1.00 0.00 H new ATOM 465 N ILE A 832 5.606 2.878 7.437 1.00 0.00 N ATOM 466 CA ILE A 832 6.862 2.383 6.888 1.00 0.00 C ATOM 467 C ILE A 832 6.959 0.866 7.020 1.00 0.00 C ATOM 468 O ILE A 832 7.070 0.152 6.023 1.00 0.00 O ATOM 469 CB ILE A 832 8.075 3.026 7.586 1.00 0.00 C ATOM 470 CG1 ILE A 832 8.035 4.547 7.425 1.00 0.00 C ATOM 471 CG2 ILE A 832 9.371 2.462 7.023 1.00 0.00 C ATOM 472 CD1 ILE A 832 7.094 5.233 8.391 1.00 0.00 C ATOM 0 H ILE A 832 5.708 3.447 8.277 1.00 0.00 H new ATOM 0 HA ILE A 832 6.874 2.656 5.833 1.00 0.00 H new ATOM 0 HB ILE A 832 8.031 2.790 8.649 1.00 0.00 H new ATOM 0 HG12 ILE A 832 9.040 4.945 7.565 1.00 0.00 H new ATOM 0 HG13 ILE A 832 7.735 4.788 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 832 10.219 2.926 7.526 1.00 0.00 H new ATOM 0 HG22 ILE A 832 9.399 1.384 7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 832 9.425 2.671 5.955 1.00 0.00 H new ATOM 0 HD11 ILE A 832 7.117 6.309 8.219 1.00 0.00 H new ATOM 0 HD12 ILE A 832 6.081 4.863 8.237 1.00 0.00 H new ATOM 0 HD13 ILE A 832 7.405 5.022 9.414 1.00 0.00 H new ATOM 484 N ASP A 833 6.916 0.382 8.256 1.00 0.00 N ATOM 485 CA ASP A 833 6.996 -1.050 8.519 1.00 0.00 C ATOM 486 C ASP A 833 5.935 -1.808 7.728 1.00 0.00 C ATOM 487 O ASP A 833 6.202 -2.874 7.174 1.00 0.00 O ATOM 488 CB ASP A 833 6.830 -1.326 10.014 1.00 0.00 C ATOM 489 CG ASP A 833 6.854 -2.807 10.336 1.00 0.00 C ATOM 490 OD1 ASP A 833 6.007 -3.546 9.790 1.00 0.00 O ATOM 491 OD2 ASP A 833 7.717 -3.228 11.134 1.00 0.00 O ATOM 0 H ASP A 833 6.826 0.960 9.092 1.00 0.00 H new ATOM 0 HA ASP A 833 7.978 -1.398 8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 833 7.627 -0.825 10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 833 5.888 -0.898 10.357 1.00 0.00 H new ATOM 496 N ALA A 834 4.729 -1.251 7.681 1.00 0.00 N ATOM 497 CA ALA A 834 3.627 -1.874 6.957 1.00 0.00 C ATOM 498 C ALA A 834 3.979 -2.074 5.487 1.00 0.00 C ATOM 499 O ALA A 834 3.914 -3.188 4.969 1.00 0.00 O ATOM 500 CB ALA A 834 2.366 -1.034 7.091 1.00 0.00 C ATOM 0 H ALA A 834 4.490 -0.370 8.136 1.00 0.00 H new ATOM 0 HA ALA A 834 3.445 -2.855 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 834 1.552 -1.511 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 834 2.096 -0.948 8.144 1.00 0.00 H new ATOM 0 HB3 ALA A 834 2.545 -0.041 6.680 1.00 0.00 H new ATOM 506 N ALA A 835 4.352 -0.986 4.820 1.00 0.00 N ATOM 507 CA ALA A 835 4.716 -1.042 3.409 1.00 0.00 C ATOM 508 C ALA A 835 5.794 -2.092 3.162 1.00 0.00 C ATOM 509 O ALA A 835 5.677 -2.912 2.251 1.00 0.00 O ATOM 510 CB ALA A 835 5.186 0.323 2.931 1.00 0.00 C ATOM 0 H ALA A 835 4.410 -0.056 5.234 1.00 0.00 H new ATOM 0 HA ALA A 835 3.831 -1.328 2.841 1.00 0.00 H new ATOM 0 HB1 ALA A 835 5.454 0.266 1.876 1.00 0.00 H new ATOM 0 HB2 ALA A 835 4.385 1.050 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 835 6.056 0.632 3.511 1.00 0.00 H new ATOM 516 N ILE A 836 6.842 -2.060 3.977 1.00 0.00 N ATOM 517 CA ILE A 836 7.941 -3.009 3.845 1.00 0.00 C ATOM 518 C ILE A 836 7.435 -4.447 3.906 1.00 0.00 C ATOM 519 O ILE A 836 7.524 -5.189 2.929 1.00 0.00 O ATOM 520 CB ILE A 836 8.999 -2.802 4.945 1.00 0.00 C ATOM 521 CG1 ILE A 836 9.580 -1.389 4.864 1.00 0.00 C ATOM 522 CG2 ILE A 836 10.102 -3.842 4.822 1.00 0.00 C ATOM 523 CD1 ILE A 836 10.337 -0.974 6.106 1.00 0.00 C ATOM 0 H ILE A 836 6.954 -1.388 4.736 1.00 0.00 H new ATOM 0 HA ILE A 836 8.400 -2.828 2.873 1.00 0.00 H new ATOM 0 HB ILE A 836 8.520 -2.923 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 836 10.247 -1.328 4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 836 8.770 -0.681 4.689 1.00 0.00 H new ATOM 0 HG21 ILE A 836 10.842 -3.682 5.606 1.00 0.00 H new ATOM 0 HG22 ILE A 836 9.675 -4.839 4.924 1.00 0.00 H new ATOM 0 HG23 ILE A 836 10.581 -3.751 3.847 1.00 0.00 H new ATOM 0 HD11 ILE A 836 10.720 0.038 5.977 1.00 0.00 H new ATOM 0 HD12 ILE A 836 9.668 -1.002 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 836 11.169 -1.659 6.271 1.00 0.00 H new ATOM 535 N VAL A 837 6.903 -4.832 5.062 1.00 0.00 N ATOM 536 CA VAL A 837 6.380 -6.180 5.251 1.00 0.00 C ATOM 537 C VAL A 837 5.578 -6.633 4.036 1.00 0.00 C ATOM 538 O VAL A 837 5.781 -7.733 3.520 1.00 0.00 O ATOM 539 CB VAL A 837 5.487 -6.266 6.503 1.00 0.00 C ATOM 540 CG1 VAL A 837 4.685 -7.558 6.500 1.00 0.00 C ATOM 541 CG2 VAL A 837 6.329 -6.154 7.765 1.00 0.00 C ATOM 0 H VAL A 837 6.823 -4.230 5.881 1.00 0.00 H new ATOM 0 HA VAL A 837 7.240 -6.837 5.382 1.00 0.00 H new ATOM 0 HB VAL A 837 4.785 -5.432 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 837 4.060 -7.601 7.392 1.00 0.00 H new ATOM 0 HG12 VAL A 837 4.053 -7.592 5.613 1.00 0.00 H new ATOM 0 HG13 VAL A 837 5.366 -8.409 6.493 1.00 0.00 H new ATOM 0 HG21 VAL A 837 5.683 -6.217 8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 837 7.055 -6.966 7.791 1.00 0.00 H new ATOM 0 HG23 VAL A 837 6.853 -5.198 7.769 1.00 0.00 H new ATOM 551 N ARG A 838 4.666 -5.779 3.583 1.00 0.00 N ATOM 552 CA ARG A 838 3.832 -6.091 2.429 1.00 0.00 C ATOM 553 C ARG A 838 4.689 -6.337 1.190 1.00 0.00 C ATOM 554 O ARG A 838 4.480 -7.308 0.462 1.00 0.00 O ATOM 555 CB ARG A 838 2.846 -4.953 2.163 1.00 0.00 C ATOM 556 CG ARG A 838 1.770 -4.817 3.229 1.00 0.00 C ATOM 557 CD ARG A 838 0.718 -3.794 2.831 1.00 0.00 C ATOM 558 NE ARG A 838 0.121 -3.143 3.994 1.00 0.00 N ATOM 559 CZ ARG A 838 -0.665 -2.075 3.916 1.00 0.00 C ATOM 560 NH1 ARG A 838 -0.948 -1.541 2.736 1.00 0.00 N ATOM 561 NH2 ARG A 838 -1.171 -1.540 5.020 1.00 0.00 N ATOM 0 H ARG A 838 4.486 -4.865 3.998 1.00 0.00 H new ATOM 0 HA ARG A 838 3.274 -7.001 2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 838 3.397 -4.015 2.093 1.00 0.00 H new ATOM 0 HB3 ARG A 838 2.369 -5.115 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 838 1.295 -5.784 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 838 2.227 -4.522 4.173 1.00 0.00 H new ATOM 0 HD2 ARG A 838 1.171 -3.041 2.186 1.00 0.00 H new ATOM 0 HD3 ARG A 838 -0.063 -4.284 2.249 1.00 0.00 H new ATOM 0 HE ARG A 838 0.318 -3.530 4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 838 -0.562 -1.950 1.885 1.00 0.00 H new ATOM 0 HH12 ARG A 838 -1.552 -0.721 2.679 1.00 0.00 H new ATOM 0 HH21 ARG A 838 -0.956 -1.949 5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 838 -1.774 -0.720 4.959 1.00 0.00 H new ATOM 575 N ILE A 839 5.651 -5.451 0.958 1.00 0.00 N ATOM 576 CA ILE A 839 6.539 -5.572 -0.192 1.00 0.00 C ATOM 577 C ILE A 839 7.367 -6.850 -0.115 1.00 0.00 C ATOM 578 O ILE A 839 7.230 -7.741 -0.952 1.00 0.00 O ATOM 579 CB ILE A 839 7.488 -4.364 -0.301 1.00 0.00 C ATOM 580 CG1 ILE A 839 6.686 -3.069 -0.445 1.00 0.00 C ATOM 581 CG2 ILE A 839 8.437 -4.540 -1.477 1.00 0.00 C ATOM 582 CD1 ILE A 839 7.381 -1.859 0.139 1.00 0.00 C ATOM 0 H ILE A 839 5.836 -4.642 1.551 1.00 0.00 H new ATOM 0 HA ILE A 839 5.905 -5.606 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 839 8.080 -4.302 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 839 6.488 -2.889 -1.502 1.00 0.00 H new ATOM 0 HG13 ILE A 839 5.720 -3.194 0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 839 9.101 -3.678 -1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 839 9.029 -5.444 -1.335 1.00 0.00 H new ATOM 0 HG23 ILE A 839 7.862 -4.624 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 839 6.755 -0.978 0.001 1.00 0.00 H new ATOM 0 HD12 ILE A 839 7.555 -2.018 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 839 8.335 -1.709 -0.366 1.00 0.00 H new ATOM 594 N MET A 840 8.226 -6.932 0.896 1.00 0.00 N ATOM 595 CA MET A 840 9.074 -8.102 1.085 1.00 0.00 C ATOM 596 C MET A 840 8.253 -9.386 1.017 1.00 0.00 C ATOM 597 O MET A 840 8.498 -10.248 0.173 1.00 0.00 O ATOM 598 CB MET A 840 9.804 -8.019 2.427 1.00 0.00 C ATOM 599 CG MET A 840 10.828 -6.899 2.494 1.00 0.00 C ATOM 600 SD MET A 840 11.398 -6.577 4.174 1.00 0.00 S ATOM 601 CE MET A 840 13.167 -6.474 3.918 1.00 0.00 C ATOM 0 H MET A 840 8.353 -6.202 1.597 1.00 0.00 H new ATOM 0 HA MET A 840 9.810 -8.120 0.281 1.00 0.00 H new ATOM 0 HB2 MET A 840 9.071 -7.878 3.222 1.00 0.00 H new ATOM 0 HB3 MET A 840 10.303 -8.969 2.619 1.00 0.00 H new ATOM 0 HG2 MET A 840 11.682 -7.156 1.868 1.00 0.00 H new ATOM 0 HG3 MET A 840 10.392 -5.989 2.082 1.00 0.00 H new ATOM 0 HE1 MET A 840 13.645 -7.368 4.318 1.00 0.00 H new ATOM 0 HE2 MET A 840 13.376 -6.397 2.851 1.00 0.00 H new ATOM 0 HE3 MET A 840 13.558 -5.594 4.429 1.00 0.00 H new ATOM 611 N LYS A 841 7.278 -9.507 1.912 1.00 0.00 N ATOM 612 CA LYS A 841 6.419 -10.684 1.954 1.00 0.00 C ATOM 613 C LYS A 841 6.110 -11.183 0.546 1.00 0.00 C ATOM 614 O LYS A 841 6.206 -12.377 0.266 1.00 0.00 O ATOM 615 CB LYS A 841 5.117 -10.365 2.691 1.00 0.00 C ATOM 616 CG LYS A 841 4.117 -11.508 2.681 1.00 0.00 C ATOM 617 CD LYS A 841 2.867 -11.162 3.474 1.00 0.00 C ATOM 618 CE LYS A 841 1.949 -12.366 3.620 1.00 0.00 C ATOM 619 NZ LYS A 841 1.102 -12.272 4.842 1.00 0.00 N ATOM 0 H LYS A 841 7.063 -8.803 2.619 1.00 0.00 H new ATOM 0 HA LYS A 841 6.949 -11.471 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 841 5.348 -10.105 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 841 4.658 -9.487 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 841 3.843 -11.744 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 841 4.580 -12.401 3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 841 3.150 -10.797 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 841 2.332 -10.353 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 841 1.310 -12.445 2.740 1.00 0.00 H new ATOM 0 HE3 LYS A 841 2.547 -13.276 3.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 0.491 -13.111 4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 1.711 -12.223 5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 0.512 -11.417 4.791 1.00 0.00 H new ATOM 633 N MET A 842 5.740 -10.260 -0.335 1.00 0.00 N ATOM 634 CA MET A 842 5.419 -10.607 -1.715 1.00 0.00 C ATOM 635 C MET A 842 6.677 -11.001 -2.483 1.00 0.00 C ATOM 636 O MET A 842 6.660 -11.938 -3.281 1.00 0.00 O ATOM 637 CB MET A 842 4.729 -9.432 -2.412 1.00 0.00 C ATOM 638 CG MET A 842 3.282 -9.239 -1.988 1.00 0.00 C ATOM 639 SD MET A 842 2.133 -10.216 -2.976 1.00 0.00 S ATOM 640 CE MET A 842 0.861 -9.002 -3.314 1.00 0.00 C ATOM 0 H MET A 842 5.655 -9.267 -0.119 1.00 0.00 H new ATOM 0 HA MET A 842 4.741 -11.460 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 842 5.285 -8.518 -2.203 1.00 0.00 H new ATOM 0 HB3 MET A 842 4.766 -9.587 -3.490 1.00 0.00 H new ATOM 0 HG2 MET A 842 3.176 -9.512 -0.938 1.00 0.00 H new ATOM 0 HG3 MET A 842 3.021 -8.184 -2.071 1.00 0.00 H new ATOM 0 HE1 MET A 842 0.076 -9.456 -3.919 1.00 0.00 H new ATOM 0 HE2 MET A 842 0.436 -8.649 -2.374 1.00 0.00 H new ATOM 0 HE3 MET A 842 1.295 -8.161 -3.855 1.00 0.00 H new ATOM 650 N ARG A 843 7.766 -10.279 -2.237 1.00 0.00 N ATOM 651 CA ARG A 843 9.031 -10.553 -2.906 1.00 0.00 C ATOM 652 C ARG A 843 9.916 -11.454 -2.049 1.00 0.00 C ATOM 653 O ARG A 843 10.637 -10.981 -1.171 1.00 0.00 O ATOM 654 CB ARG A 843 9.763 -9.245 -3.214 1.00 0.00 C ATOM 655 CG ARG A 843 8.940 -8.264 -4.032 1.00 0.00 C ATOM 656 CD ARG A 843 9.000 -8.589 -5.516 1.00 0.00 C ATOM 657 NE ARG A 843 8.077 -7.767 -6.294 1.00 0.00 N ATOM 658 CZ ARG A 843 7.634 -8.100 -7.501 1.00 0.00 C ATOM 659 NH1 ARG A 843 8.027 -9.234 -8.065 1.00 0.00 N ATOM 660 NH2 ARG A 843 6.795 -7.300 -8.146 1.00 0.00 N ATOM 0 H ARG A 843 7.797 -9.500 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 843 8.814 -11.069 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 843 10.051 -8.770 -2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 843 10.683 -9.472 -3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 843 7.904 -8.287 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 843 9.307 -7.251 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 843 10.016 -8.436 -5.880 1.00 0.00 H new ATOM 0 HD3 ARG A 843 8.762 -9.642 -5.666 1.00 0.00 H new ATOM 0 HE ARG A 843 7.755 -6.889 -5.888 1.00 0.00 H new ATOM 0 HH11 ARG A 843 8.671 -9.853 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 843 7.685 -9.488 -8.992 1.00 0.00 H new ATOM 0 HH21 ARG A 843 6.489 -6.428 -7.715 1.00 0.00 H new ATOM 0 HH22 ARG A 843 6.456 -7.557 -9.073 1.00 0.00 H new ATOM 674 N LYS A 844 9.855 -12.756 -2.311 1.00 0.00 N ATOM 675 CA LYS A 844 10.650 -13.724 -1.566 1.00 0.00 C ATOM 676 C LYS A 844 12.016 -13.147 -1.208 1.00 0.00 C ATOM 677 O LYS A 844 12.494 -13.307 -0.084 1.00 0.00 O ATOM 678 CB LYS A 844 10.825 -15.007 -2.382 1.00 0.00 C ATOM 679 CG LYS A 844 9.525 -15.752 -2.630 1.00 0.00 C ATOM 680 CD LYS A 844 9.073 -16.511 -1.393 1.00 0.00 C ATOM 681 CE LYS A 844 8.286 -17.760 -1.762 1.00 0.00 C ATOM 682 NZ LYS A 844 6.895 -17.436 -2.181 1.00 0.00 N ATOM 0 H LYS A 844 9.263 -13.164 -3.034 1.00 0.00 H new ATOM 0 HA LYS A 844 10.120 -13.957 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 844 11.280 -14.759 -3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 844 11.519 -15.667 -1.861 1.00 0.00 H new ATOM 0 HG2 LYS A 844 8.750 -15.045 -2.928 1.00 0.00 H new ATOM 0 HG3 LYS A 844 9.656 -16.449 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS A 844 9.943 -16.790 -0.798 1.00 0.00 H new ATOM 0 HD3 LYS A 844 8.457 -15.862 -0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 844 8.796 -18.285 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 844 8.260 -18.438 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 844 6.392 -18.313 -2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 844 6.400 -16.958 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 844 6.919 -16.810 -3.011 1.00 0.00 H new ATOM 696 N THR A 845 12.639 -12.473 -2.169 1.00 0.00 N ATOM 697 CA THR A 845 13.949 -11.872 -1.955 1.00 0.00 C ATOM 698 C THR A 845 14.023 -10.480 -2.573 1.00 0.00 C ATOM 699 O THR A 845 13.633 -10.280 -3.725 1.00 0.00 O ATOM 700 CB THR A 845 15.071 -12.744 -2.548 1.00 0.00 C ATOM 701 OG1 THR A 845 15.032 -14.054 -1.969 1.00 0.00 O ATOM 702 CG2 THR A 845 16.434 -12.116 -2.299 1.00 0.00 C ATOM 0 H THR A 845 12.257 -12.330 -3.104 1.00 0.00 H new ATOM 0 HA THR A 845 14.089 -11.796 -0.877 1.00 0.00 H new ATOM 0 HB THR A 845 14.913 -12.817 -3.624 1.00 0.00 H new ATOM 0 HG1 THR A 845 15.774 -14.155 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 845 17.210 -12.750 -2.727 1.00 0.00 H new ATOM 0 HG22 THR A 845 16.472 -11.131 -2.765 1.00 0.00 H new ATOM 0 HG23 THR A 845 16.598 -12.016 -1.226 1.00 0.00 H new ATOM 710 N LEU A 846 14.525 -9.522 -1.803 1.00 0.00 N ATOM 711 CA LEU A 846 14.651 -8.147 -2.276 1.00 0.00 C ATOM 712 C LEU A 846 15.877 -7.473 -1.668 1.00 0.00 C ATOM 713 O LEU A 846 16.268 -7.773 -0.540 1.00 0.00 O ATOM 714 CB LEU A 846 13.392 -7.351 -1.929 1.00 0.00 C ATOM 715 CG LEU A 846 13.042 -6.204 -2.878 1.00 0.00 C ATOM 716 CD1 LEU A 846 12.559 -6.746 -4.215 1.00 0.00 C ATOM 717 CD2 LEU A 846 11.988 -5.300 -2.255 1.00 0.00 C ATOM 0 H LEU A 846 14.852 -9.671 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 846 14.772 -8.170 -3.359 1.00 0.00 H new ATOM 0 HB2 LEU A 846 12.548 -8.040 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 846 13.509 -6.943 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 846 13.942 -5.614 -3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 846 12.315 -5.916 -4.877 1.00 0.00 H new ATOM 0 HD12 LEU A 846 13.344 -7.352 -4.667 1.00 0.00 H new ATOM 0 HD13 LEU A 846 11.672 -7.360 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 846 11.751 -4.489 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 846 11.087 -5.878 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 846 12.370 -4.884 -1.323 1.00 0.00 H new ATOM 729 N SER A 847 16.478 -6.559 -2.423 1.00 0.00 N ATOM 730 CA SER A 847 17.661 -5.842 -1.960 1.00 0.00 C ATOM 731 C SER A 847 17.275 -4.510 -1.325 1.00 0.00 C ATOM 732 O SER A 847 16.107 -4.118 -1.339 1.00 0.00 O ATOM 733 CB SER A 847 18.627 -5.605 -3.122 1.00 0.00 C ATOM 734 OG SER A 847 19.158 -6.829 -3.602 1.00 0.00 O ATOM 0 H SER A 847 16.165 -6.297 -3.358 1.00 0.00 H new ATOM 0 HA SER A 847 18.155 -6.455 -1.206 1.00 0.00 H new ATOM 0 HB2 SER A 847 18.109 -5.088 -3.930 1.00 0.00 H new ATOM 0 HB3 SER A 847 19.439 -4.955 -2.797 1.00 0.00 H new ATOM 0 HG SER A 847 19.771 -6.650 -4.345 1.00 0.00 H new ATOM 740 N HIS A 848 18.264 -3.818 -0.769 1.00 0.00 N ATOM 741 CA HIS A 848 18.029 -2.528 -0.129 1.00 0.00 C ATOM 742 C HIS A 848 17.433 -1.531 -1.118 1.00 0.00 C ATOM 743 O HIS A 848 16.329 -1.027 -0.917 1.00 0.00 O ATOM 744 CB HIS A 848 19.333 -1.976 0.448 1.00 0.00 C ATOM 745 CG HIS A 848 19.167 -0.670 1.161 1.00 0.00 C ATOM 746 ND1 HIS A 848 19.108 -0.565 2.535 1.00 0.00 N ATOM 747 CD2 HIS A 848 19.048 0.591 0.683 1.00 0.00 C ATOM 748 CE1 HIS A 848 18.959 0.704 2.871 1.00 0.00 C ATOM 749 NE2 HIS A 848 18.920 1.426 1.766 1.00 0.00 N ATOM 0 H HIS A 848 19.235 -4.128 -0.748 1.00 0.00 H new ATOM 0 HA HIS A 848 17.316 -2.677 0.682 1.00 0.00 H new ATOM 0 HB2 HIS A 848 19.753 -2.707 1.139 1.00 0.00 H new ATOM 0 HB3 HIS A 848 20.054 -1.850 -0.360 1.00 0.00 H new ATOM 0 HD2 HIS A 848 19.053 0.885 -0.356 1.00 0.00 H new ATOM 0 HE1 HIS A 848 18.882 1.086 3.878 1.00 0.00 H new ATOM 0 HE2 HIS A 848 18.812 2.439 1.724 1.00 0.00 H new ATOM 757 N ASN A 849 18.173 -1.251 -2.186 1.00 0.00 N ATOM 758 CA ASN A 849 17.718 -0.312 -3.206 1.00 0.00 C ATOM 759 C ASN A 849 16.284 -0.618 -3.625 1.00 0.00 C ATOM 760 O ASN A 849 15.413 0.252 -3.582 1.00 0.00 O ATOM 761 CB ASN A 849 18.641 -0.366 -4.425 1.00 0.00 C ATOM 762 CG ASN A 849 18.247 0.637 -5.492 1.00 0.00 C ATOM 763 OD1 ASN A 849 17.296 0.421 -6.243 1.00 0.00 O ATOM 764 ND2 ASN A 849 18.980 1.743 -5.564 1.00 0.00 N ATOM 0 H ASN A 849 19.089 -1.660 -2.368 1.00 0.00 H new ATOM 0 HA ASN A 849 17.747 0.691 -2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 849 19.667 -0.173 -4.110 1.00 0.00 H new ATOM 0 HB3 ASN A 849 18.621 -1.370 -4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 849 18.763 2.454 -6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 849 19.760 1.881 -4.921 1.00 0.00 H new ATOM 771 N LEU A 850 16.044 -1.861 -4.031 1.00 0.00 N ATOM 772 CA LEU A 850 14.715 -2.283 -4.458 1.00 0.00 C ATOM 773 C LEU A 850 13.720 -2.199 -3.305 1.00 0.00 C ATOM 774 O LEU A 850 12.550 -1.869 -3.504 1.00 0.00 O ATOM 775 CB LEU A 850 14.763 -3.712 -5.003 1.00 0.00 C ATOM 776 CG LEU A 850 15.037 -3.851 -6.500 1.00 0.00 C ATOM 777 CD1 LEU A 850 13.998 -3.086 -7.307 1.00 0.00 C ATOM 778 CD2 LEU A 850 16.439 -3.361 -6.833 1.00 0.00 C ATOM 0 H LEU A 850 16.753 -2.593 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 850 14.383 -1.610 -5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 850 15.533 -4.260 -4.461 1.00 0.00 H new ATOM 0 HB3 LEU A 850 13.812 -4.196 -4.782 1.00 0.00 H new ATOM 0 HG LEU A 850 14.969 -4.906 -6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 850 14.210 -3.197 -8.371 1.00 0.00 H new ATOM 0 HD12 LEU A 850 13.006 -3.482 -7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 850 14.033 -2.030 -7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 850 16.617 -3.467 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 850 16.534 -2.312 -6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 850 17.171 -3.952 -6.283 1.00 0.00 H new ATOM 790 N LEU A 851 14.192 -2.497 -2.100 1.00 0.00 N ATOM 791 CA LEU A 851 13.345 -2.453 -0.914 1.00 0.00 C ATOM 792 C LEU A 851 12.873 -1.030 -0.634 1.00 0.00 C ATOM 793 O LEU A 851 11.692 -0.716 -0.779 1.00 0.00 O ATOM 794 CB LEU A 851 14.102 -3.000 0.298 1.00 0.00 C ATOM 795 CG LEU A 851 13.385 -2.885 1.644 1.00 0.00 C ATOM 796 CD1 LEU A 851 12.033 -3.579 1.590 1.00 0.00 C ATOM 797 CD2 LEU A 851 14.243 -3.471 2.756 1.00 0.00 C ATOM 0 H LEU A 851 15.157 -2.772 -1.918 1.00 0.00 H new ATOM 0 HA LEU A 851 12.470 -3.076 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 851 14.327 -4.051 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 851 15.056 -2.478 0.371 1.00 0.00 H new ATOM 0 HG LEU A 851 13.220 -1.829 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 851 11.538 -3.487 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 851 11.416 -3.115 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 851 12.175 -4.634 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 851 13.718 -3.381 3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 851 14.439 -4.523 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 851 15.187 -2.930 2.811 1.00 0.00 H new ATOM 809 N VAL A 852 13.805 -0.171 -0.233 1.00 0.00 N ATOM 810 CA VAL A 852 13.486 1.220 0.064 1.00 0.00 C ATOM 811 C VAL A 852 12.687 1.855 -1.069 1.00 0.00 C ATOM 812 O VAL A 852 11.850 2.727 -0.840 1.00 0.00 O ATOM 813 CB VAL A 852 14.762 2.049 0.305 1.00 0.00 C ATOM 814 CG1 VAL A 852 15.513 1.531 1.521 1.00 0.00 C ATOM 815 CG2 VAL A 852 15.650 2.030 -0.930 1.00 0.00 C ATOM 0 H VAL A 852 14.787 -0.414 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 852 12.884 1.220 0.973 1.00 0.00 H new ATOM 0 HB VAL A 852 14.473 3.082 0.500 1.00 0.00 H new ATOM 0 HG11 VAL A 852 16.411 2.129 1.676 1.00 0.00 H new ATOM 0 HG12 VAL A 852 14.874 1.602 2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 852 15.793 0.490 1.359 1.00 0.00 H new ATOM 0 HG21 VAL A 852 16.547 2.620 -0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 852 15.933 1.003 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 852 15.107 2.453 -1.775 1.00 0.00 H new ATOM 825 N SER A 853 12.952 1.410 -2.294 1.00 0.00 N ATOM 826 CA SER A 853 12.260 1.937 -3.464 1.00 0.00 C ATOM 827 C SER A 853 10.769 1.622 -3.401 1.00 0.00 C ATOM 828 O SER A 853 9.930 2.509 -3.550 1.00 0.00 O ATOM 829 CB SER A 853 12.863 1.354 -4.744 1.00 0.00 C ATOM 830 OG SER A 853 12.224 1.881 -5.894 1.00 0.00 O ATOM 0 H SER A 853 13.640 0.686 -2.501 1.00 0.00 H new ATOM 0 HA SER A 853 12.384 3.020 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 853 13.929 1.577 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 853 12.765 0.268 -4.735 1.00 0.00 H new ATOM 0 HG SER A 853 12.628 1.494 -6.699 1.00 0.00 H new ATOM 836 N GLU A 854 10.448 0.351 -3.179 1.00 0.00 N ATOM 837 CA GLU A 854 9.058 -0.082 -3.097 1.00 0.00 C ATOM 838 C GLU A 854 8.307 0.699 -2.023 1.00 0.00 C ATOM 839 O GLU A 854 7.197 1.180 -2.250 1.00 0.00 O ATOM 840 CB GLU A 854 8.984 -1.581 -2.799 1.00 0.00 C ATOM 841 CG GLU A 854 9.324 -2.457 -3.994 1.00 0.00 C ATOM 842 CD GLU A 854 8.117 -2.748 -4.865 1.00 0.00 C ATOM 843 OE1 GLU A 854 7.007 -2.891 -4.313 1.00 0.00 O ATOM 844 OE2 GLU A 854 8.285 -2.833 -6.100 1.00 0.00 O ATOM 0 H GLU A 854 11.131 -0.396 -3.053 1.00 0.00 H new ATOM 0 HA GLU A 854 8.586 0.113 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 854 9.667 -1.815 -1.982 1.00 0.00 H new ATOM 0 HB3 GLU A 854 7.979 -1.825 -2.454 1.00 0.00 H new ATOM 0 HG2 GLU A 854 10.090 -1.966 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 854 9.749 -3.397 -3.642 1.00 0.00 H new ATOM 851 N VAL A 855 8.921 0.820 -0.850 1.00 0.00 N ATOM 852 CA VAL A 855 8.312 1.542 0.261 1.00 0.00 C ATOM 853 C VAL A 855 7.948 2.966 -0.144 1.00 0.00 C ATOM 854 O VAL A 855 6.786 3.366 -0.070 1.00 0.00 O ATOM 855 CB VAL A 855 9.252 1.592 1.480 1.00 0.00 C ATOM 856 CG1 VAL A 855 8.653 2.454 2.581 1.00 0.00 C ATOM 857 CG2 VAL A 855 9.538 0.187 1.989 1.00 0.00 C ATOM 0 H VAL A 855 9.840 0.427 -0.645 1.00 0.00 H new ATOM 0 HA VAL A 855 7.406 1.001 0.532 1.00 0.00 H new ATOM 0 HB VAL A 855 10.196 2.042 1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 855 9.331 2.478 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 855 8.503 3.467 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 855 7.695 2.036 2.890 1.00 0.00 H new ATOM 0 HG21 VAL A 855 10.204 0.241 2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 855 8.603 -0.291 2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 855 10.012 -0.396 1.200 1.00 0.00 H new ATOM 867 N TYR A 856 8.948 3.728 -0.572 1.00 0.00 N ATOM 868 CA TYR A 856 8.734 5.109 -0.987 1.00 0.00 C ATOM 869 C TYR A 856 7.529 5.218 -1.917 1.00 0.00 C ATOM 870 O TYR A 856 6.705 6.121 -1.780 1.00 0.00 O ATOM 871 CB TYR A 856 9.981 5.653 -1.686 1.00 0.00 C ATOM 872 CG TYR A 856 11.070 6.087 -0.730 1.00 0.00 C ATOM 873 CD1 TYR A 856 10.795 6.955 0.319 1.00 0.00 C ATOM 874 CD2 TYR A 856 12.373 5.628 -0.877 1.00 0.00 C ATOM 875 CE1 TYR A 856 11.787 7.354 1.194 1.00 0.00 C ATOM 876 CE2 TYR A 856 13.371 6.021 -0.006 1.00 0.00 C ATOM 877 CZ TYR A 856 13.073 6.884 1.028 1.00 0.00 C ATOM 878 OH TYR A 856 14.063 7.278 1.898 1.00 0.00 O ATOM 0 H TYR A 856 9.916 3.412 -0.641 1.00 0.00 H new ATOM 0 HA TYR A 856 8.537 5.703 -0.094 1.00 0.00 H new ATOM 0 HB2 TYR A 856 10.378 4.886 -2.352 1.00 0.00 H new ATOM 0 HB3 TYR A 856 9.697 6.501 -2.309 1.00 0.00 H new ATOM 0 HD1 TYR A 856 9.789 7.324 0.453 1.00 0.00 H new ATOM 0 HD2 TYR A 856 12.610 4.953 -1.686 1.00 0.00 H new ATOM 0 HE1 TYR A 856 11.557 8.030 2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 856 14.379 5.655 -0.134 1.00 0.00 H new ATOM 0 HH TYR A 856 14.910 6.856 1.642 1.00 0.00 H new ATOM 888 N ASN A 857 7.433 4.289 -2.862 1.00 0.00 N ATOM 889 CA ASN A 857 6.329 4.279 -3.815 1.00 0.00 C ATOM 890 C ASN A 857 4.992 4.132 -3.096 1.00 0.00 C ATOM 891 O ASN A 857 4.007 4.775 -3.460 1.00 0.00 O ATOM 892 CB ASN A 857 6.508 3.141 -4.822 1.00 0.00 C ATOM 893 CG ASN A 857 5.343 3.035 -5.787 1.00 0.00 C ATOM 894 OD1 ASN A 857 5.400 3.547 -6.906 1.00 0.00 O ATOM 895 ND2 ASN A 857 4.277 2.369 -5.358 1.00 0.00 N ATOM 0 H ASN A 857 8.106 3.533 -2.989 1.00 0.00 H new ATOM 0 HA ASN A 857 6.332 5.230 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 857 7.429 3.298 -5.384 1.00 0.00 H new ATOM 0 HB3 ASN A 857 6.619 2.199 -4.285 1.00 0.00 H new ATOM 0 HD21 ASN A 857 3.463 2.266 -5.963 1.00 0.00 H new ATOM 0 HD22 ASN A 857 4.273 1.961 -4.423 1.00 0.00 H new ATOM 902 N GLN A 858 4.965 3.283 -2.075 1.00 0.00 N ATOM 903 CA GLN A 858 3.749 3.051 -1.305 1.00 0.00 C ATOM 904 C GLN A 858 3.417 4.259 -0.435 1.00 0.00 C ATOM 905 O GLN A 858 2.254 4.642 -0.303 1.00 0.00 O ATOM 906 CB GLN A 858 3.902 1.805 -0.431 1.00 0.00 C ATOM 907 CG GLN A 858 4.098 0.525 -1.227 1.00 0.00 C ATOM 908 CD GLN A 858 2.793 -0.042 -1.751 1.00 0.00 C ATOM 909 OE1 GLN A 858 1.713 0.323 -1.287 1.00 0.00 O ATOM 910 NE2 GLN A 858 2.887 -0.940 -2.725 1.00 0.00 N ATOM 0 H GLN A 858 5.772 2.744 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 858 2.930 2.895 -2.007 1.00 0.00 H new ATOM 0 HB2 GLN A 858 4.753 1.942 0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 858 3.017 1.701 0.197 1.00 0.00 H new ATOM 0 HG2 GLN A 858 4.767 0.722 -2.065 1.00 0.00 H new ATOM 0 HG3 GLN A 858 4.586 -0.219 -0.597 1.00 0.00 H new ATOM 0 HE21 GLN A 858 3.803 -1.214 -3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 858 2.043 -1.356 -3.118 1.00 0.00 H new ATOM 919 N LEU A 859 4.446 4.856 0.157 1.00 0.00 N ATOM 920 CA LEU A 859 4.264 6.021 1.016 1.00 0.00 C ATOM 921 C LEU A 859 4.426 7.313 0.221 1.00 0.00 C ATOM 922 O LEU A 859 5.499 7.599 -0.309 1.00 0.00 O ATOM 923 CB LEU A 859 5.267 5.990 2.170 1.00 0.00 C ATOM 924 CG LEU A 859 5.489 4.629 2.830 1.00 0.00 C ATOM 925 CD1 LEU A 859 6.425 4.759 4.022 1.00 0.00 C ATOM 926 CD2 LEU A 859 4.161 4.020 3.256 1.00 0.00 C ATOM 0 H LEU A 859 5.415 4.553 0.058 1.00 0.00 H new ATOM 0 HA LEU A 859 3.253 5.989 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 859 6.226 6.353 1.801 1.00 0.00 H new ATOM 0 HB3 LEU A 859 4.933 6.692 2.934 1.00 0.00 H new ATOM 0 HG LEU A 859 5.953 3.965 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 859 6.571 3.780 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 859 7.386 5.151 3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.990 5.439 4.754 1.00 0.00 H new ATOM 0 HD21 LEU A 859 4.338 3.052 3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 859 3.669 4.682 3.968 1.00 0.00 H new ATOM 0 HD23 LEU A 859 3.524 3.889 2.382 1.00 0.00 H new ATOM 938 N LYS A 860 3.352 8.093 0.145 1.00 0.00 N ATOM 939 CA LYS A 860 3.375 9.357 -0.581 1.00 0.00 C ATOM 940 C LYS A 860 3.919 10.479 0.297 1.00 0.00 C ATOM 941 O LYS A 860 3.696 11.659 0.023 1.00 0.00 O ATOM 942 CB LYS A 860 1.968 9.713 -1.069 1.00 0.00 C ATOM 943 CG LYS A 860 1.491 8.857 -2.228 1.00 0.00 C ATOM 944 CD LYS A 860 0.890 7.548 -1.744 1.00 0.00 C ATOM 945 CE LYS A 860 0.082 6.867 -2.839 1.00 0.00 C ATOM 946 NZ LYS A 860 0.044 5.389 -2.662 1.00 0.00 N ATOM 0 H LYS A 860 2.455 7.871 0.577 1.00 0.00 H new ATOM 0 HA LYS A 860 4.034 9.242 -1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 860 1.268 9.609 -0.240 1.00 0.00 H new ATOM 0 HB3 LYS A 860 1.952 10.760 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 860 0.749 9.407 -2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 860 2.327 8.650 -2.896 1.00 0.00 H new ATOM 0 HD2 LYS A 860 1.686 6.882 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 860 0.250 7.737 -0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 860 -0.935 7.259 -2.837 1.00 0.00 H new ATOM 0 HE3 LYS A 860 0.514 7.105 -3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 860 0.269 4.925 -3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 860 0.742 5.107 -1.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 860 -0.906 5.101 -2.352 1.00 0.00 H new ATOM 960 N PHE A 861 4.636 10.105 1.352 1.00 0.00 N ATOM 961 CA PHE A 861 5.213 11.080 2.269 1.00 0.00 C ATOM 962 C PHE A 861 6.696 10.801 2.497 1.00 0.00 C ATOM 963 O PHE A 861 7.158 9.663 2.421 1.00 0.00 O ATOM 964 CB PHE A 861 4.467 11.059 3.605 1.00 0.00 C ATOM 965 CG PHE A 861 4.866 9.917 4.496 1.00 0.00 C ATOM 966 CD1 PHE A 861 4.310 8.660 4.324 1.00 0.00 C ATOM 967 CD2 PHE A 861 5.797 10.101 5.505 1.00 0.00 C ATOM 968 CE1 PHE A 861 4.675 7.608 5.143 1.00 0.00 C ATOM 969 CE2 PHE A 861 6.167 9.053 6.327 1.00 0.00 C ATOM 970 CZ PHE A 861 5.605 7.805 6.145 1.00 0.00 C ATOM 0 H PHE A 861 4.831 9.133 1.593 1.00 0.00 H new ATOM 0 HA PHE A 861 5.112 12.068 1.820 1.00 0.00 H new ATOM 0 HB2 PHE A 861 4.648 11.998 4.128 1.00 0.00 H new ATOM 0 HB3 PHE A 861 3.396 11.003 3.413 1.00 0.00 H new ATOM 0 HD1 PHE A 861 3.583 8.500 3.541 1.00 0.00 H new ATOM 0 HD2 PHE A 861 6.239 11.075 5.651 1.00 0.00 H new ATOM 0 HE1 PHE A 861 4.233 6.633 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 861 6.894 9.210 7.110 1.00 0.00 H new ATOM 0 HZ PHE A 861 5.892 6.984 6.785 1.00 0.00 H new ATOM 980 N PRO A 862 7.460 11.865 2.783 1.00 0.00 N ATOM 981 CA PRO A 862 8.902 11.762 3.028 1.00 0.00 C ATOM 982 C PRO A 862 9.217 11.059 4.344 1.00 0.00 C ATOM 983 O PRO A 862 8.642 11.379 5.384 1.00 0.00 O ATOM 984 CB PRO A 862 9.359 13.222 3.079 1.00 0.00 C ATOM 985 CG PRO A 862 8.146 13.984 3.487 1.00 0.00 C ATOM 986 CD PRO A 862 6.976 13.252 2.890 1.00 0.00 C ATOM 0 HA PRO A 862 9.404 11.171 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 862 10.171 13.358 3.793 1.00 0.00 H new ATOM 0 HB3 PRO A 862 9.728 13.555 2.109 1.00 0.00 H new ATOM 0 HG2 PRO A 862 8.063 14.033 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 862 8.190 15.011 3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 862 6.092 13.321 3.524 1.00 0.00 H new ATOM 0 HD3 PRO A 862 6.702 13.658 1.916 1.00 0.00 H new ATOM 994 N VAL A 863 10.135 10.099 4.291 1.00 0.00 N ATOM 995 CA VAL A 863 10.528 9.351 5.480 1.00 0.00 C ATOM 996 C VAL A 863 12.017 9.516 5.765 1.00 0.00 C ATOM 997 O VAL A 863 12.862 9.007 5.029 1.00 0.00 O ATOM 998 CB VAL A 863 10.209 7.852 5.331 1.00 0.00 C ATOM 999 CG1 VAL A 863 10.799 7.062 6.489 1.00 0.00 C ATOM 1000 CG2 VAL A 863 8.706 7.634 5.238 1.00 0.00 C ATOM 0 H VAL A 863 10.620 9.821 3.438 1.00 0.00 H new ATOM 0 HA VAL A 863 9.954 9.756 6.313 1.00 0.00 H new ATOM 0 HB VAL A 863 10.664 7.492 4.408 1.00 0.00 H new ATOM 0 HG11 VAL A 863 10.563 6.005 6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 863 11.881 7.193 6.505 1.00 0.00 H new ATOM 0 HG13 VAL A 863 10.376 7.421 7.427 1.00 0.00 H new ATOM 0 HG21 VAL A 863 8.499 6.569 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 863 8.227 8.010 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 863 8.314 8.167 4.372 1.00 0.00 H new ATOM 1010 N LYS A 864 12.331 10.231 6.840 1.00 0.00 N ATOM 1011 CA LYS A 864 13.718 10.463 7.227 1.00 0.00 C ATOM 1012 C LYS A 864 14.566 9.218 6.984 1.00 0.00 C ATOM 1013 O LYS A 864 14.075 8.090 7.005 1.00 0.00 O ATOM 1014 CB LYS A 864 13.798 10.868 8.700 1.00 0.00 C ATOM 1015 CG LYS A 864 13.266 12.264 8.977 1.00 0.00 C ATOM 1016 CD LYS A 864 13.211 12.554 10.467 1.00 0.00 C ATOM 1017 CE LYS A 864 12.438 13.831 10.758 1.00 0.00 C ATOM 1018 NZ LYS A 864 11.883 13.842 12.140 1.00 0.00 N ATOM 0 H LYS A 864 11.643 10.660 7.459 1.00 0.00 H new ATOM 0 HA LYS A 864 14.109 11.274 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 864 13.236 10.149 9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 864 14.836 10.812 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 864 13.901 13.001 8.485 1.00 0.00 H new ATOM 0 HG3 LYS A 864 12.269 12.366 8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 864 12.742 11.717 10.984 1.00 0.00 H new ATOM 0 HD3 LYS A 864 14.224 12.643 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 864 13.094 14.691 10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 864 11.625 13.935 10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 864 11.363 14.729 12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 864 11.237 13.036 12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 864 12.660 13.769 12.827 1.00 0.00 H new ATOM 1032 N PRO A 865 15.870 9.426 6.750 1.00 0.00 N ATOM 1033 CA PRO A 865 16.814 8.332 6.501 1.00 0.00 C ATOM 1034 C PRO A 865 17.071 7.494 7.748 1.00 0.00 C ATOM 1035 O PRO A 865 17.272 6.283 7.663 1.00 0.00 O ATOM 1036 CB PRO A 865 18.091 9.057 6.071 1.00 0.00 C ATOM 1037 CG PRO A 865 17.989 10.407 6.693 1.00 0.00 C ATOM 1038 CD PRO A 865 16.524 10.745 6.710 1.00 0.00 C ATOM 0 HA PRO A 865 16.437 7.628 5.759 1.00 0.00 H new ATOM 0 HB2 PRO A 865 18.981 8.529 6.415 1.00 0.00 H new ATOM 0 HB3 PRO A 865 18.161 9.126 4.985 1.00 0.00 H new ATOM 0 HG2 PRO A 865 18.401 10.404 7.702 1.00 0.00 H new ATOM 0 HG3 PRO A 865 18.553 11.144 6.121 1.00 0.00 H new ATOM 0 HD2 PRO A 865 16.261 11.350 7.578 1.00 0.00 H new ATOM 0 HD3 PRO A 865 16.232 11.312 5.826 1.00 0.00 H new ATOM 1046 N ALA A 866 17.063 8.146 8.906 1.00 0.00 N ATOM 1047 CA ALA A 866 17.293 7.460 10.171 1.00 0.00 C ATOM 1048 C ALA A 866 16.154 6.496 10.488 1.00 0.00 C ATOM 1049 O ALA A 866 16.387 5.343 10.851 1.00 0.00 O ATOM 1050 CB ALA A 866 17.461 8.470 11.297 1.00 0.00 C ATOM 0 H ALA A 866 16.900 9.149 8.994 1.00 0.00 H new ATOM 0 HA ALA A 866 18.211 6.879 10.079 1.00 0.00 H new ATOM 0 HB1 ALA A 866 17.632 7.943 12.236 1.00 0.00 H new ATOM 0 HB2 ALA A 866 18.313 9.116 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 866 16.559 9.076 11.380 1.00 0.00 H new ATOM 1056 N ASP A 867 14.923 6.976 10.349 1.00 0.00 N ATOM 1057 CA ASP A 867 13.748 6.157 10.620 1.00 0.00 C ATOM 1058 C ASP A 867 13.652 4.999 9.631 1.00 0.00 C ATOM 1059 O ASP A 867 13.557 3.837 10.027 1.00 0.00 O ATOM 1060 CB ASP A 867 12.479 7.008 10.552 1.00 0.00 C ATOM 1061 CG ASP A 867 12.389 8.005 11.691 1.00 0.00 C ATOM 1062 OD1 ASP A 867 12.814 7.662 12.815 1.00 0.00 O ATOM 1063 OD2 ASP A 867 11.893 9.127 11.459 1.00 0.00 O ATOM 0 H ASP A 867 14.713 7.928 10.050 1.00 0.00 H new ATOM 0 HA ASP A 867 13.847 5.746 11.625 1.00 0.00 H new ATOM 0 HB2 ASP A 867 12.454 7.542 9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 867 11.606 6.356 10.574 1.00 0.00 H new ATOM 1068 N LEU A 868 13.677 5.325 8.343 1.00 0.00 N ATOM 1069 CA LEU A 868 13.592 4.313 7.296 1.00 0.00 C ATOM 1070 C LEU A 868 14.585 3.183 7.550 1.00 0.00 C ATOM 1071 O LEU A 868 14.196 2.030 7.739 1.00 0.00 O ATOM 1072 CB LEU A 868 13.857 4.943 5.928 1.00 0.00 C ATOM 1073 CG LEU A 868 13.667 4.026 4.719 1.00 0.00 C ATOM 1074 CD1 LEU A 868 12.218 3.573 4.616 1.00 0.00 C ATOM 1075 CD2 LEU A 868 14.099 4.731 3.442 1.00 0.00 C ATOM 0 H LEU A 868 13.755 6.282 7.999 1.00 0.00 H new ATOM 0 HA LEU A 868 12.585 3.896 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 868 13.198 5.804 5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 868 14.880 5.320 5.916 1.00 0.00 H new ATOM 0 HG LEU A 868 14.294 3.144 4.853 1.00 0.00 H new ATOM 0 HD11 LEU A 868 12.101 2.921 3.750 1.00 0.00 H new ATOM 0 HD12 LEU A 868 11.942 3.029 5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 868 11.572 4.444 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 868 13.957 4.064 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 868 13.499 5.630 3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 868 15.151 5.005 3.516 1.00 0.00 H new ATOM 1087 N LYS A 869 15.870 3.521 7.553 1.00 0.00 N ATOM 1088 CA LYS A 869 16.921 2.537 7.787 1.00 0.00 C ATOM 1089 C LYS A 869 16.629 1.716 9.038 1.00 0.00 C ATOM 1090 O LYS A 869 16.627 0.486 9.000 1.00 0.00 O ATOM 1091 CB LYS A 869 18.277 3.232 7.924 1.00 0.00 C ATOM 1092 CG LYS A 869 18.904 3.612 6.594 1.00 0.00 C ATOM 1093 CD LYS A 869 20.352 4.042 6.762 1.00 0.00 C ATOM 1094 CE LYS A 869 20.949 4.515 5.446 1.00 0.00 C ATOM 1095 NZ LYS A 869 20.239 5.710 4.912 1.00 0.00 N ATOM 0 H LYS A 869 16.209 4.470 7.396 1.00 0.00 H new ATOM 0 HA LYS A 869 16.950 1.863 6.931 1.00 0.00 H new ATOM 0 HB2 LYS A 869 18.155 4.131 8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 869 18.960 2.575 8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 869 18.852 2.764 5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 869 18.333 4.422 6.140 1.00 0.00 H new ATOM 0 HD2 LYS A 869 20.412 4.843 7.499 1.00 0.00 H new ATOM 0 HD3 LYS A 869 20.938 3.208 7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 869 22.003 4.753 5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 869 20.902 3.708 4.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 869 20.815 6.152 4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 869 19.322 5.421 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 869 20.083 6.393 5.680 1.00 0.00 H new ATOM 1109 N LYS A 870 16.380 2.405 10.147 1.00 0.00 N ATOM 1110 CA LYS A 870 16.083 1.740 11.411 1.00 0.00 C ATOM 1111 C LYS A 870 14.956 0.726 11.241 1.00 0.00 C ATOM 1112 O LYS A 870 15.057 -0.410 11.703 1.00 0.00 O ATOM 1113 CB LYS A 870 15.700 2.771 12.475 1.00 0.00 C ATOM 1114 CG LYS A 870 16.894 3.387 13.183 1.00 0.00 C ATOM 1115 CD LYS A 870 16.459 4.351 14.275 1.00 0.00 C ATOM 1116 CE LYS A 870 17.637 4.796 15.127 1.00 0.00 C ATOM 1117 NZ LYS A 870 18.636 5.565 14.334 1.00 0.00 N ATOM 0 H LYS A 870 16.378 3.424 10.196 1.00 0.00 H new ATOM 0 HA LYS A 870 16.979 1.210 11.733 1.00 0.00 H new ATOM 0 HB2 LYS A 870 15.117 3.564 12.007 1.00 0.00 H new ATOM 0 HB3 LYS A 870 15.056 2.295 13.214 1.00 0.00 H new ATOM 0 HG2 LYS A 870 17.508 2.598 13.617 1.00 0.00 H new ATOM 0 HG3 LYS A 870 17.516 3.913 12.459 1.00 0.00 H new ATOM 0 HD2 LYS A 870 15.985 5.223 13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 870 15.711 3.873 14.908 1.00 0.00 H new ATOM 0 HE2 LYS A 870 17.277 5.411 15.952 1.00 0.00 H new ATOM 0 HE3 LYS A 870 18.118 3.922 15.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 870 19.398 5.894 14.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 870 19.036 4.954 13.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 870 18.172 6.385 13.893 1.00 0.00 H new ATOM 1131 N ARG A 871 13.885 1.145 10.574 1.00 0.00 N ATOM 1132 CA ARG A 871 12.740 0.273 10.344 1.00 0.00 C ATOM 1133 C ARG A 871 13.182 -1.055 9.734 1.00 0.00 C ATOM 1134 O ARG A 871 12.838 -2.125 10.238 1.00 0.00 O ATOM 1135 CB ARG A 871 11.728 0.957 9.423 1.00 0.00 C ATOM 1136 CG ARG A 871 11.054 2.166 10.050 1.00 0.00 C ATOM 1137 CD ARG A 871 9.839 1.764 10.871 1.00 0.00 C ATOM 1138 NE ARG A 871 10.211 1.020 12.071 1.00 0.00 N ATOM 1139 CZ ARG A 871 10.808 1.572 13.122 1.00 0.00 C ATOM 1140 NH1 ARG A 871 11.100 2.865 13.119 1.00 0.00 N ATOM 1141 NH2 ARG A 871 11.115 0.829 14.178 1.00 0.00 N ATOM 0 H ARG A 871 13.787 2.082 10.184 1.00 0.00 H new ATOM 0 HA ARG A 871 12.268 0.073 11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 871 12.233 1.267 8.508 1.00 0.00 H new ATOM 0 HB3 ARG A 871 10.964 0.234 9.136 1.00 0.00 H new ATOM 0 HG2 ARG A 871 11.766 2.692 10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 871 10.751 2.862 9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 871 9.283 2.657 11.156 1.00 0.00 H new ATOM 0 HD3 ARG A 871 9.173 1.155 10.259 1.00 0.00 H new ATOM 0 HE ARG A 871 10.001 0.022 12.104 1.00 0.00 H new ATOM 0 HH11 ARG A 871 10.866 3.439 12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 871 11.558 3.286 13.927 1.00 0.00 H new ATOM 0 HH21 ARG A 871 10.893 -0.166 14.183 1.00 0.00 H new ATOM 0 HH22 ARG A 871 11.573 1.253 14.984 1.00 0.00 H new ATOM 1155 N ILE A 872 13.944 -0.977 8.649 1.00 0.00 N ATOM 1156 CA ILE A 872 14.433 -2.172 7.972 1.00 0.00 C ATOM 1157 C ILE A 872 15.148 -3.102 8.946 1.00 0.00 C ATOM 1158 O ILE A 872 14.757 -4.256 9.116 1.00 0.00 O ATOM 1159 CB ILE A 872 15.393 -1.814 6.822 1.00 0.00 C ATOM 1160 CG1 ILE A 872 14.684 -0.934 5.791 1.00 0.00 C ATOM 1161 CG2 ILE A 872 15.930 -3.079 6.168 1.00 0.00 C ATOM 1162 CD1 ILE A 872 15.625 -0.284 4.802 1.00 0.00 C ATOM 0 H ILE A 872 14.236 -0.099 8.220 1.00 0.00 H new ATOM 0 HA ILE A 872 13.561 -2.681 7.561 1.00 0.00 H new ATOM 0 HB ILE A 872 16.234 -1.254 7.231 1.00 0.00 H new ATOM 0 HG12 ILE A 872 13.959 -1.539 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 872 14.124 -0.157 6.312 1.00 0.00 H new ATOM 0 HG21 ILE A 872 16.607 -2.810 5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 872 16.468 -3.671 6.908 1.00 0.00 H new ATOM 0 HG23 ILE A 872 15.100 -3.663 5.769 1.00 0.00 H new ATOM 0 HD11 ILE A 872 15.053 0.325 4.102 1.00 0.00 H new ATOM 0 HD12 ILE A 872 16.335 0.348 5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 872 16.167 -1.055 4.254 1.00 0.00 H new ATOM 1174 N GLU A 873 16.195 -2.590 9.584 1.00 0.00 N ATOM 1175 CA GLU A 873 16.964 -3.375 10.542 1.00 0.00 C ATOM 1176 C GLU A 873 16.040 -4.105 11.513 1.00 0.00 C ATOM 1177 O GLU A 873 16.079 -5.330 11.622 1.00 0.00 O ATOM 1178 CB GLU A 873 17.928 -2.474 11.317 1.00 0.00 C ATOM 1179 CG GLU A 873 18.693 -1.501 10.436 1.00 0.00 C ATOM 1180 CD GLU A 873 19.986 -1.031 11.073 1.00 0.00 C ATOM 1181 OE1 GLU A 873 20.604 -1.821 11.817 1.00 0.00 O ATOM 1182 OE2 GLU A 873 20.380 0.129 10.827 1.00 0.00 O ATOM 0 H GLU A 873 16.530 -1.635 9.455 1.00 0.00 H new ATOM 0 HA GLU A 873 17.539 -4.117 9.987 1.00 0.00 H new ATOM 0 HB2 GLU A 873 17.366 -1.911 12.063 1.00 0.00 H new ATOM 0 HB3 GLU A 873 18.640 -3.098 11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 873 18.915 -1.978 9.481 1.00 0.00 H new ATOM 0 HG3 GLU A 873 18.063 -0.638 10.222 1.00 0.00 H new ATOM 1189 N SER A 874 15.209 -3.342 12.217 1.00 0.00 N ATOM 1190 CA SER A 874 14.278 -3.914 13.182 1.00 0.00 C ATOM 1191 C SER A 874 13.559 -5.123 12.592 1.00 0.00 C ATOM 1192 O SER A 874 13.682 -6.241 13.095 1.00 0.00 O ATOM 1193 CB SER A 874 13.257 -2.863 13.622 1.00 0.00 C ATOM 1194 OG SER A 874 13.818 -1.974 14.572 1.00 0.00 O ATOM 0 H SER A 874 15.162 -2.326 12.137 1.00 0.00 H new ATOM 0 HA SER A 874 14.849 -4.241 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 874 12.911 -2.302 12.754 1.00 0.00 H new ATOM 0 HB3 SER A 874 12.385 -3.356 14.051 1.00 0.00 H new ATOM 0 HG SER A 874 13.146 -1.311 14.836 1.00 0.00 H new ATOM 1200 N LEU A 875 12.807 -4.892 11.521 1.00 0.00 N ATOM 1201 CA LEU A 875 12.066 -5.961 10.861 1.00 0.00 C ATOM 1202 C LEU A 875 12.922 -7.216 10.731 1.00 0.00 C ATOM 1203 O LEU A 875 12.499 -8.310 11.107 1.00 0.00 O ATOM 1204 CB LEU A 875 11.598 -5.504 9.478 1.00 0.00 C ATOM 1205 CG LEU A 875 10.410 -4.541 9.456 1.00 0.00 C ATOM 1206 CD1 LEU A 875 10.352 -3.795 8.132 1.00 0.00 C ATOM 1207 CD2 LEU A 875 9.110 -5.292 9.705 1.00 0.00 C ATOM 0 H LEU A 875 12.695 -3.974 11.091 1.00 0.00 H new ATOM 0 HA LEU A 875 11.196 -6.199 11.473 1.00 0.00 H new ATOM 0 HB2 LEU A 875 12.437 -5.026 8.972 1.00 0.00 H new ATOM 0 HB3 LEU A 875 11.335 -6.387 8.895 1.00 0.00 H new ATOM 0 HG LEU A 875 10.543 -3.811 10.255 1.00 0.00 H new ATOM 0 HD11 LEU A 875 9.500 -3.115 8.135 1.00 0.00 H new ATOM 0 HD12 LEU A 875 11.271 -3.225 7.995 1.00 0.00 H new ATOM 0 HD13 LEU A 875 10.243 -4.510 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 875 8.275 -4.591 9.686 1.00 0.00 H new ATOM 0 HD22 LEU A 875 8.970 -6.044 8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 875 9.152 -5.779 10.679 1.00 0.00 H new ATOM 1219 N ILE A 876 14.129 -7.052 10.199 1.00 0.00 N ATOM 1220 CA ILE A 876 15.045 -8.171 10.023 1.00 0.00 C ATOM 1221 C ILE A 876 15.297 -8.888 11.345 1.00 0.00 C ATOM 1222 O ILE A 876 15.366 -10.116 11.394 1.00 0.00 O ATOM 1223 CB ILE A 876 16.393 -7.709 9.438 1.00 0.00 C ATOM 1224 CG1 ILE A 876 16.195 -7.141 8.031 1.00 0.00 C ATOM 1225 CG2 ILE A 876 17.384 -8.864 9.414 1.00 0.00 C ATOM 1226 CD1 ILE A 876 17.469 -6.619 7.405 1.00 0.00 C ATOM 0 H ILE A 876 14.495 -6.154 9.882 1.00 0.00 H new ATOM 0 HA ILE A 876 14.571 -8.859 9.323 1.00 0.00 H new ATOM 0 HB ILE A 876 16.798 -6.922 10.074 1.00 0.00 H new ATOM 0 HG12 ILE A 876 15.777 -7.917 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 876 15.464 -6.334 8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 876 18.332 -8.522 8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 876 17.544 -9.228 10.429 1.00 0.00 H new ATOM 0 HG23 ILE A 876 16.988 -9.671 8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 876 17.253 -6.232 6.409 1.00 0.00 H new ATOM 0 HD12 ILE A 876 17.878 -5.820 8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 876 18.196 -7.428 7.330 1.00 0.00 H new ATOM 1238 N ASP A 877 15.432 -8.113 12.416 1.00 0.00 N ATOM 1239 CA ASP A 877 15.674 -8.674 13.740 1.00 0.00 C ATOM 1240 C ASP A 877 14.385 -9.229 14.338 1.00 0.00 C ATOM 1241 O ASP A 877 14.416 -9.994 15.302 1.00 0.00 O ATOM 1242 CB ASP A 877 16.264 -7.611 14.667 1.00 0.00 C ATOM 1243 CG ASP A 877 16.712 -8.186 15.997 1.00 0.00 C ATOM 1244 OD1 ASP A 877 17.161 -9.351 16.018 1.00 0.00 O ATOM 1245 OD2 ASP A 877 16.613 -7.471 17.016 1.00 0.00 O ATOM 0 H ASP A 877 15.378 -7.095 12.393 1.00 0.00 H new ATOM 0 HA ASP A 877 16.387 -9.492 13.637 1.00 0.00 H new ATOM 0 HB2 ASP A 877 17.113 -7.135 14.176 1.00 0.00 H new ATOM 0 HB3 ASP A 877 15.521 -6.833 14.843 1.00 0.00 H new ATOM 1250 N ARG A 878 13.254 -8.838 13.760 1.00 0.00 N ATOM 1251 CA ARG A 878 11.954 -9.295 14.237 1.00 0.00 C ATOM 1252 C ARG A 878 11.594 -10.646 13.626 1.00 0.00 C ATOM 1253 O ARG A 878 10.434 -11.058 13.645 1.00 0.00 O ATOM 1254 CB ARG A 878 10.873 -8.266 13.901 1.00 0.00 C ATOM 1255 CG ARG A 878 10.731 -7.169 14.943 1.00 0.00 C ATOM 1256 CD ARG A 878 10.063 -5.932 14.362 1.00 0.00 C ATOM 1257 NE ARG A 878 10.328 -4.740 15.162 1.00 0.00 N ATOM 1258 CZ ARG A 878 9.960 -3.516 14.802 1.00 0.00 C ATOM 1259 NH1 ARG A 878 9.313 -3.324 13.660 1.00 0.00 N ATOM 1260 NH2 ARG A 878 10.237 -2.481 15.584 1.00 0.00 N ATOM 0 H ARG A 878 13.212 -8.206 12.961 1.00 0.00 H new ATOM 0 HA ARG A 878 12.012 -9.410 15.319 1.00 0.00 H new ATOM 0 HB2 ARG A 878 11.103 -7.812 12.937 1.00 0.00 H new ATOM 0 HB3 ARG A 878 9.917 -8.778 13.793 1.00 0.00 H new ATOM 0 HG2 ARG A 878 10.145 -7.539 15.785 1.00 0.00 H new ATOM 0 HG3 ARG A 878 11.715 -6.904 15.331 1.00 0.00 H new ATOM 0 HD2 ARG A 878 10.419 -5.772 13.344 1.00 0.00 H new ATOM 0 HD3 ARG A 878 8.987 -6.096 14.301 1.00 0.00 H new ATOM 0 HE ARG A 878 10.823 -4.854 16.046 1.00 0.00 H new ATOM 0 HH11 ARG A 878 9.097 -4.117 13.056 1.00 0.00 H new ATOM 0 HH12 ARG A 878 9.031 -2.383 13.385 1.00 0.00 H new ATOM 0 HH21 ARG A 878 10.733 -2.625 16.463 1.00 0.00 H new ATOM 0 HH22 ARG A 878 9.954 -1.541 15.306 1.00 0.00 H new ATOM 1274 N ASP A 879 12.596 -11.329 13.083 1.00 0.00 N ATOM 1275 CA ASP A 879 12.386 -12.634 12.466 1.00 0.00 C ATOM 1276 C ASP A 879 11.431 -12.527 11.281 1.00 0.00 C ATOM 1277 O ASP A 879 10.461 -13.279 11.182 1.00 0.00 O ATOM 1278 CB ASP A 879 11.835 -13.625 13.493 1.00 0.00 C ATOM 1279 CG ASP A 879 12.924 -14.223 14.362 1.00 0.00 C ATOM 1280 OD1 ASP A 879 13.490 -13.486 15.196 1.00 0.00 O ATOM 1281 OD2 ASP A 879 13.209 -15.429 14.207 1.00 0.00 O ATOM 0 H ASP A 879 13.561 -11.001 13.057 1.00 0.00 H new ATOM 0 HA ASP A 879 13.348 -12.996 12.103 1.00 0.00 H new ATOM 0 HB2 ASP A 879 11.105 -13.120 14.126 1.00 0.00 H new ATOM 0 HB3 ASP A 879 11.307 -14.425 12.974 1.00 0.00 H new ATOM 1286 N TYR A 880 11.712 -11.587 10.385 1.00 0.00 N ATOM 1287 CA TYR A 880 10.876 -11.379 9.208 1.00 0.00 C ATOM 1288 C TYR A 880 11.696 -11.508 7.928 1.00 0.00 C ATOM 1289 O TYR A 880 11.164 -11.830 6.867 1.00 0.00 O ATOM 1290 CB TYR A 880 10.212 -10.002 9.265 1.00 0.00 C ATOM 1291 CG TYR A 880 8.994 -9.955 10.159 1.00 0.00 C ATOM 1292 CD1 TYR A 880 7.778 -10.480 9.738 1.00 0.00 C ATOM 1293 CD2 TYR A 880 9.058 -9.385 11.425 1.00 0.00 C ATOM 1294 CE1 TYR A 880 6.662 -10.437 10.551 1.00 0.00 C ATOM 1295 CE2 TYR A 880 7.948 -9.340 12.245 1.00 0.00 C ATOM 1296 CZ TYR A 880 6.752 -9.867 11.804 1.00 0.00 C ATOM 1297 OH TYR A 880 5.643 -9.824 12.617 1.00 0.00 O ATOM 0 H TYR A 880 12.512 -10.957 10.451 1.00 0.00 H new ATOM 0 HA TYR A 880 10.103 -12.148 9.202 1.00 0.00 H new ATOM 0 HB2 TYR A 880 10.940 -9.271 9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 880 9.924 -9.704 8.257 1.00 0.00 H new ATOM 0 HD1 TYR A 880 7.704 -10.929 8.759 1.00 0.00 H new ATOM 0 HD2 TYR A 880 9.992 -8.970 11.773 1.00 0.00 H new ATOM 0 HE1 TYR A 880 5.724 -10.847 10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 880 8.016 -8.895 13.227 1.00 0.00 H new ATOM 0 HH TYR A 880 5.876 -9.391 13.465 1.00 0.00 H new ATOM 1307 N MET A 881 12.996 -11.254 8.038 1.00 0.00 N ATOM 1308 CA MET A 881 13.892 -11.343 6.890 1.00 0.00 C ATOM 1309 C MET A 881 15.293 -11.760 7.325 1.00 0.00 C ATOM 1310 O MET A 881 15.645 -11.655 8.500 1.00 0.00 O ATOM 1311 CB MET A 881 13.950 -10.002 6.157 1.00 0.00 C ATOM 1312 CG MET A 881 12.582 -9.443 5.802 1.00 0.00 C ATOM 1313 SD MET A 881 11.821 -10.300 4.410 1.00 0.00 S ATOM 1314 CE MET A 881 12.871 -9.759 3.064 1.00 0.00 C ATOM 0 H MET A 881 13.452 -10.985 8.910 1.00 0.00 H new ATOM 0 HA MET A 881 13.501 -12.102 6.213 1.00 0.00 H new ATOM 0 HB2 MET A 881 14.478 -9.280 6.780 1.00 0.00 H new ATOM 0 HB3 MET A 881 14.533 -10.122 5.244 1.00 0.00 H new ATOM 0 HG2 MET A 881 11.927 -9.516 6.670 1.00 0.00 H new ATOM 0 HG3 MET A 881 12.677 -8.384 5.563 1.00 0.00 H new ATOM 0 HE1 MET A 881 12.953 -10.555 2.324 1.00 0.00 H new ATOM 0 HE2 MET A 881 12.438 -8.874 2.598 1.00 0.00 H new ATOM 0 HE3 MET A 881 13.862 -9.518 3.450 1.00 0.00 H new ATOM 1324 N GLU A 882 16.088 -12.233 6.370 1.00 0.00 N ATOM 1325 CA GLU A 882 17.451 -12.666 6.657 1.00 0.00 C ATOM 1326 C GLU A 882 18.427 -12.107 5.625 1.00 0.00 C ATOM 1327 O GLU A 882 18.126 -12.057 4.433 1.00 0.00 O ATOM 1328 CB GLU A 882 17.531 -14.194 6.676 1.00 0.00 C ATOM 1329 CG GLU A 882 17.105 -14.842 5.370 1.00 0.00 C ATOM 1330 CD GLU A 882 17.415 -16.325 5.326 1.00 0.00 C ATOM 1331 OE1 GLU A 882 18.576 -16.681 5.032 1.00 0.00 O ATOM 1332 OE2 GLU A 882 16.497 -17.131 5.587 1.00 0.00 O ATOM 0 H GLU A 882 15.812 -12.326 5.392 1.00 0.00 H new ATOM 0 HA GLU A 882 17.728 -12.283 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 882 18.554 -14.493 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 882 16.902 -14.572 7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 882 16.034 -14.694 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 882 17.608 -14.345 4.541 1.00 0.00 H new ATOM 1339 N ARG A 883 19.598 -11.688 6.094 1.00 0.00 N ATOM 1340 CA ARG A 883 20.619 -11.132 5.214 1.00 0.00 C ATOM 1341 C ARG A 883 21.328 -12.237 4.437 1.00 0.00 C ATOM 1342 O ARG A 883 21.946 -13.125 5.025 1.00 0.00 O ATOM 1343 CB ARG A 883 21.638 -10.328 6.024 1.00 0.00 C ATOM 1344 CG ARG A 883 21.009 -9.274 6.919 1.00 0.00 C ATOM 1345 CD ARG A 883 21.944 -8.094 7.132 1.00 0.00 C ATOM 1346 NE ARG A 883 21.267 -6.967 7.768 1.00 0.00 N ATOM 1347 CZ ARG A 883 21.824 -5.771 7.929 1.00 0.00 C ATOM 1348 NH1 ARG A 883 23.060 -5.549 7.503 1.00 0.00 N ATOM 1349 NH2 ARG A 883 21.144 -4.795 8.517 1.00 0.00 N ATOM 0 H ARG A 883 19.863 -11.723 7.078 1.00 0.00 H new ATOM 0 HA ARG A 883 20.127 -10.469 4.502 1.00 0.00 H new ATOM 0 HB2 ARG A 883 22.222 -11.013 6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 883 22.333 -9.843 5.339 1.00 0.00 H new ATOM 0 HG2 ARG A 883 20.077 -8.926 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 883 20.755 -9.717 7.882 1.00 0.00 H new ATOM 0 HD2 ARG A 883 22.787 -8.406 7.749 1.00 0.00 H new ATOM 0 HD3 ARG A 883 22.352 -7.777 6.172 1.00 0.00 H new ATOM 0 HE ARG A 883 20.315 -7.105 8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 883 23.586 -6.297 7.051 1.00 0.00 H new ATOM 0 HH12 ARG A 883 23.485 -4.630 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 883 20.193 -4.962 8.846 1.00 0.00 H new ATOM 0 HH22 ARG A 883 21.572 -3.877 8.640 1.00 0.00 H new ATOM 1363 N ASP A 884 21.234 -12.177 3.113 1.00 0.00 N ATOM 1364 CA ASP A 884 21.866 -13.172 2.255 1.00 0.00 C ATOM 1365 C ASP A 884 23.338 -13.345 2.618 1.00 0.00 C ATOM 1366 O ASP A 884 24.092 -12.373 2.681 1.00 0.00 O ATOM 1367 CB ASP A 884 21.734 -12.768 0.786 1.00 0.00 C ATOM 1368 CG ASP A 884 22.167 -13.871 -0.159 1.00 0.00 C ATOM 1369 OD1 ASP A 884 23.001 -14.708 0.248 1.00 0.00 O ATOM 1370 OD2 ASP A 884 21.672 -13.899 -1.305 1.00 0.00 O ATOM 0 H ASP A 884 20.726 -11.449 2.611 1.00 0.00 H new ATOM 0 HA ASP A 884 21.358 -14.124 2.408 1.00 0.00 H new ATOM 0 HB2 ASP A 884 20.698 -12.501 0.577 1.00 0.00 H new ATOM 0 HB3 ASP A 884 22.336 -11.878 0.601 1.00 0.00 H new ATOM 1375 N LYS A 885 23.742 -14.588 2.855 1.00 0.00 N ATOM 1376 CA LYS A 885 25.123 -14.890 3.211 1.00 0.00 C ATOM 1377 C LYS A 885 26.093 -14.226 2.239 1.00 0.00 C ATOM 1378 O LYS A 885 27.214 -13.879 2.608 1.00 0.00 O ATOM 1379 CB LYS A 885 25.350 -16.403 3.221 1.00 0.00 C ATOM 1380 CG LYS A 885 24.907 -17.076 4.508 1.00 0.00 C ATOM 1381 CD LYS A 885 25.127 -18.579 4.456 1.00 0.00 C ATOM 1382 CE LYS A 885 25.285 -19.168 5.850 1.00 0.00 C ATOM 1383 NZ LYS A 885 24.020 -19.091 6.631 1.00 0.00 N ATOM 0 H LYS A 885 23.132 -15.404 2.807 1.00 0.00 H new ATOM 0 HA LYS A 885 25.309 -14.495 4.210 1.00 0.00 H new ATOM 0 HB2 LYS A 885 24.812 -16.848 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 885 26.409 -16.604 3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 885 25.459 -16.655 5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 885 23.852 -16.868 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 885 24.285 -19.054 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 885 26.016 -18.797 3.865 1.00 0.00 H new ATOM 0 HE2 LYS A 885 25.600 -20.208 5.771 1.00 0.00 H new ATOM 0 HE3 LYS A 885 26.073 -18.635 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 885 24.169 -19.502 7.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 885 23.732 -18.096 6.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 885 23.274 -19.620 6.136 1.00 0.00 H new ATOM 1397 N GLU A 886 25.652 -14.052 0.997 1.00 0.00 N ATOM 1398 CA GLU A 886 26.483 -13.429 -0.027 1.00 0.00 C ATOM 1399 C GLU A 886 26.790 -11.978 0.331 1.00 0.00 C ATOM 1400 O GLU A 886 27.931 -11.632 0.637 1.00 0.00 O ATOM 1401 CB GLU A 886 25.787 -13.494 -1.388 1.00 0.00 C ATOM 1402 CG GLU A 886 26.123 -14.743 -2.185 1.00 0.00 C ATOM 1403 CD GLU A 886 27.352 -14.566 -3.056 1.00 0.00 C ATOM 1404 OE1 GLU A 886 27.634 -13.419 -3.459 1.00 0.00 O ATOM 1405 OE2 GLU A 886 28.031 -15.577 -3.334 1.00 0.00 O ATOM 0 H GLU A 886 24.726 -14.333 0.676 1.00 0.00 H new ATOM 0 HA GLU A 886 27.423 -13.978 -0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 886 24.708 -13.449 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 886 26.065 -12.616 -1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 886 26.285 -15.575 -1.499 1.00 0.00 H new ATOM 0 HG3 GLU A 886 25.272 -15.009 -2.813 1.00 0.00 H new ATOM 1412 N ASN A 887 25.765 -11.134 0.289 1.00 0.00 N ATOM 1413 CA ASN A 887 25.925 -9.720 0.608 1.00 0.00 C ATOM 1414 C ASN A 887 24.821 -9.246 1.549 1.00 0.00 C ATOM 1415 O ASN A 887 23.668 -9.666 1.455 1.00 0.00 O ATOM 1416 CB ASN A 887 25.913 -8.883 -0.673 1.00 0.00 C ATOM 1417 CG ASN A 887 26.947 -9.350 -1.679 1.00 0.00 C ATOM 1418 OD1 ASN A 887 26.561 -10.291 -2.531 1.00 0.00 O flip ATOM 1419 ND2 ASN A 887 28.081 -8.869 -1.689 1.00 0.00 N flip ATOM 0 H ASN A 887 24.814 -11.404 0.037 1.00 0.00 H new ATOM 0 HA ASN A 887 26.884 -9.592 1.109 1.00 0.00 H new ATOM 0 HB2 ASN A 887 24.923 -8.931 -1.126 1.00 0.00 H new ATOM 0 HB3 ASN A 887 26.099 -7.839 -0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 887 28.335 -8.147 -1.015 1.00 0.00 H new ATOM 0 HD22 ASN A 887 28.766 -9.193 -2.371 1.00 0.00 H new ATOM 1426 N PRO A 888 25.182 -8.348 2.478 1.00 0.00 N ATOM 1427 CA PRO A 888 24.237 -7.797 3.454 1.00 0.00 C ATOM 1428 C PRO A 888 23.216 -6.865 2.809 1.00 0.00 C ATOM 1429 O PRO A 888 22.361 -6.300 3.490 1.00 0.00 O ATOM 1430 CB PRO A 888 25.136 -7.019 4.418 1.00 0.00 C ATOM 1431 CG PRO A 888 26.340 -6.667 3.613 1.00 0.00 C ATOM 1432 CD PRO A 888 26.539 -7.803 2.648 1.00 0.00 C ATOM 0 HA PRO A 888 23.647 -8.577 3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 888 24.635 -6.126 4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 888 25.402 -7.623 5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 888 26.194 -5.726 3.083 1.00 0.00 H new ATOM 0 HG3 PRO A 888 27.214 -6.540 4.252 1.00 0.00 H new ATOM 0 HD2 PRO A 888 26.955 -7.458 1.701 1.00 0.00 H new ATOM 0 HD3 PRO A 888 27.226 -8.551 3.044 1.00 0.00 H new ATOM 1440 N ASN A 889 23.312 -6.710 1.493 1.00 0.00 N ATOM 1441 CA ASN A 889 22.396 -5.846 0.757 1.00 0.00 C ATOM 1442 C ASN A 889 21.155 -6.618 0.317 1.00 0.00 C ATOM 1443 O ASN A 889 20.091 -6.035 0.110 1.00 0.00 O ATOM 1444 CB ASN A 889 23.097 -5.248 -0.465 1.00 0.00 C ATOM 1445 CG ASN A 889 24.456 -4.667 -0.125 1.00 0.00 C ATOM 1446 OD1 ASN A 889 24.779 -4.458 1.045 1.00 0.00 O ATOM 1447 ND2 ASN A 889 25.259 -4.403 -1.148 1.00 0.00 N ATOM 0 H ASN A 889 24.014 -7.171 0.914 1.00 0.00 H new ATOM 0 HA ASN A 889 22.085 -5.039 1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 889 23.215 -6.019 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 889 22.469 -4.468 -0.895 1.00 0.00 H new ATOM 0 HD21 ASN A 889 26.186 -4.011 -0.981 1.00 0.00 H new ATOM 0 HD22 ASN A 889 24.950 -4.592 -2.101 1.00 0.00 H new ATOM 1454 N GLN A 890 21.300 -7.932 0.179 1.00 0.00 N ATOM 1455 CA GLN A 890 20.191 -8.783 -0.235 1.00 0.00 C ATOM 1456 C GLN A 890 19.505 -9.410 0.974 1.00 0.00 C ATOM 1457 O GLN A 890 20.165 -9.930 1.874 1.00 0.00 O ATOM 1458 CB GLN A 890 20.687 -9.878 -1.181 1.00 0.00 C ATOM 1459 CG GLN A 890 19.609 -10.875 -1.576 1.00 0.00 C ATOM 1460 CD GLN A 890 19.854 -11.489 -2.940 1.00 0.00 C ATOM 1461 OE1 GLN A 890 19.188 -10.956 -3.958 1.00 0.00 O flip ATOM 1462 NE2 GLN A 890 20.633 -12.432 -3.078 1.00 0.00 N flip ATOM 0 H GLN A 890 22.174 -8.430 0.348 1.00 0.00 H new ATOM 0 HA GLN A 890 19.465 -8.162 -0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 890 21.089 -9.414 -2.082 1.00 0.00 H new ATOM 0 HB3 GLN A 890 21.508 -10.413 -0.705 1.00 0.00 H new ATOM 0 HG2 GLN A 890 19.560 -11.667 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 890 18.640 -10.376 -1.575 1.00 0.00 H new ATOM 0 HE21 GLN A 890 21.124 -12.811 -2.268 1.00 0.00 H new ATOM 0 HE22 GLN A 890 20.788 -12.835 -4.002 1.00 0.00 H new ATOM 1471 N TYR A 891 18.178 -9.359 0.987 1.00 0.00 N ATOM 1472 CA TYR A 891 17.403 -9.920 2.088 1.00 0.00 C ATOM 1473 C TYR A 891 16.421 -10.972 1.581 1.00 0.00 C ATOM 1474 O TYR A 891 15.909 -10.873 0.467 1.00 0.00 O ATOM 1475 CB TYR A 891 16.646 -8.812 2.823 1.00 0.00 C ATOM 1476 CG TYR A 891 17.491 -7.592 3.114 1.00 0.00 C ATOM 1477 CD1 TYR A 891 18.719 -7.710 3.755 1.00 0.00 C ATOM 1478 CD2 TYR A 891 17.062 -6.322 2.749 1.00 0.00 C ATOM 1479 CE1 TYR A 891 19.493 -6.598 4.024 1.00 0.00 C ATOM 1480 CE2 TYR A 891 17.831 -5.205 3.012 1.00 0.00 C ATOM 1481 CZ TYR A 891 19.046 -5.348 3.650 1.00 0.00 C ATOM 1482 OH TYR A 891 19.815 -4.239 3.915 1.00 0.00 O ATOM 0 H TYR A 891 17.616 -8.935 0.248 1.00 0.00 H new ATOM 0 HA TYR A 891 18.096 -10.398 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 891 15.785 -8.513 2.225 1.00 0.00 H new ATOM 0 HB3 TYR A 891 16.260 -9.209 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 891 19.074 -8.687 4.047 1.00 0.00 H new ATOM 0 HD2 TYR A 891 16.111 -6.206 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 891 20.444 -6.707 4.525 1.00 0.00 H new ATOM 0 HE2 TYR A 891 17.483 -4.225 2.720 1.00 0.00 H new ATOM 0 HH TYR A 891 19.357 -3.437 3.586 1.00 0.00 H new ATOM 1492 N ASN A 892 16.163 -11.978 2.410 1.00 0.00 N ATOM 1493 CA ASN A 892 15.242 -13.050 2.047 1.00 0.00 C ATOM 1494 C ASN A 892 14.039 -13.074 2.985 1.00 0.00 C ATOM 1495 O ASN A 892 14.089 -12.532 4.090 1.00 0.00 O ATOM 1496 CB ASN A 892 15.959 -14.401 2.085 1.00 0.00 C ATOM 1497 CG ASN A 892 17.215 -14.413 1.235 1.00 0.00 C ATOM 1498 OD1 ASN A 892 17.175 -14.758 0.053 1.00 0.00 O ATOM 1499 ND2 ASN A 892 18.338 -14.036 1.834 1.00 0.00 N ATOM 0 H ASN A 892 16.578 -12.074 3.337 1.00 0.00 H new ATOM 0 HA ASN A 892 14.887 -12.863 1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 892 16.219 -14.643 3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 892 15.280 -15.179 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 892 19.215 -14.024 1.313 1.00 0.00 H new ATOM 0 HD22 ASN A 892 18.324 -13.758 2.815 1.00 0.00 H new ATOM 1506 N TYR A 893 12.959 -13.705 2.537 1.00 0.00 N ATOM 1507 CA TYR A 893 11.742 -13.798 3.335 1.00 0.00 C ATOM 1508 C TYR A 893 11.780 -15.022 4.245 1.00 0.00 C ATOM 1509 O TYR A 893 12.203 -16.103 3.833 1.00 0.00 O ATOM 1510 CB TYR A 893 10.515 -13.863 2.425 1.00 0.00 C ATOM 1511 CG TYR A 893 9.203 -13.740 3.167 1.00 0.00 C ATOM 1512 CD1 TYR A 893 8.926 -12.624 3.948 1.00 0.00 C ATOM 1513 CD2 TYR A 893 8.242 -14.741 3.090 1.00 0.00 C ATOM 1514 CE1 TYR A 893 7.730 -12.508 4.628 1.00 0.00 C ATOM 1515 CE2 TYR A 893 7.043 -14.632 3.766 1.00 0.00 C ATOM 1516 CZ TYR A 893 6.791 -13.515 4.534 1.00 0.00 C ATOM 1517 OH TYR A 893 5.598 -13.404 5.211 1.00 0.00 O ATOM 0 H TYR A 893 12.902 -14.160 1.626 1.00 0.00 H new ATOM 0 HA TYR A 893 11.677 -12.906 3.958 1.00 0.00 H new ATOM 0 HB2 TYR A 893 10.580 -13.066 1.684 1.00 0.00 H new ATOM 0 HB3 TYR A 893 10.527 -14.807 1.880 1.00 0.00 H new ATOM 0 HD1 TYR A 893 9.659 -11.834 4.024 1.00 0.00 H new ATOM 0 HD2 TYR A 893 8.436 -15.619 2.491 1.00 0.00 H new ATOM 0 HE1 TYR A 893 7.530 -11.634 5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 893 6.306 -15.418 3.694 1.00 0.00 H new ATOM 0 HH TYR A 893 5.049 -14.197 5.038 1.00 0.00 H new ATOM 1527 N ILE A 894 11.334 -14.844 5.483 1.00 0.00 N ATOM 1528 CA ILE A 894 11.314 -15.933 6.452 1.00 0.00 C ATOM 1529 C ILE A 894 9.948 -16.051 7.119 1.00 0.00 C ATOM 1530 O ILE A 894 9.432 -17.152 7.310 1.00 0.00 O ATOM 1531 CB ILE A 894 12.389 -15.740 7.538 1.00 0.00 C ATOM 1532 CG1 ILE A 894 12.437 -14.277 7.984 1.00 0.00 C ATOM 1533 CG2 ILE A 894 13.748 -16.188 7.024 1.00 0.00 C ATOM 1534 CD1 ILE A 894 13.539 -13.984 8.978 1.00 0.00 C ATOM 0 H ILE A 894 10.981 -13.956 5.839 1.00 0.00 H new ATOM 0 HA ILE A 894 11.526 -16.849 5.901 1.00 0.00 H new ATOM 0 HB ILE A 894 12.129 -16.355 8.400 1.00 0.00 H new ATOM 0 HG12 ILE A 894 12.571 -13.643 7.108 1.00 0.00 H new ATOM 0 HG13 ILE A 894 11.478 -14.009 8.428 1.00 0.00 H new ATOM 0 HG21 ILE A 894 14.497 -16.045 7.803 1.00 0.00 H new ATOM 0 HG22 ILE A 894 13.704 -17.242 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 894 14.018 -15.598 6.148 1.00 0.00 H new ATOM 0 HD11 ILE A 894 13.513 -12.929 9.249 1.00 0.00 H new ATOM 0 HD12 ILE A 894 13.395 -14.592 9.871 1.00 0.00 H new ATOM 0 HD13 ILE A 894 14.505 -14.220 8.531 1.00 0.00 H new ATOM 1546 N ALA A 895 9.366 -14.909 7.470 1.00 0.00 N ATOM 1547 CA ALA A 895 8.058 -14.883 8.112 1.00 0.00 C ATOM 1548 C ALA A 895 7.169 -16.008 7.592 1.00 0.00 C ATOM 1549 O ALA A 895 7.177 -16.318 6.401 1.00 0.00 O ATOM 1550 CB ALA A 895 7.389 -13.535 7.893 1.00 0.00 C ATOM 0 H ALA A 895 9.780 -13.989 7.320 1.00 0.00 H new ATOM 0 HA ALA A 895 8.203 -15.034 9.182 1.00 0.00 H new ATOM 0 HB1 ALA A 895 6.413 -13.530 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 895 8.010 -12.747 8.319 1.00 0.00 H new ATOM 0 HB3 ALA A 895 7.264 -13.360 6.824 1.00 0.00 H new ATOM 1556 N SER A 896 6.405 -16.616 8.493 1.00 0.00 N ATOM 1557 CA SER A 896 5.513 -17.710 8.126 1.00 0.00 C ATOM 1558 C SER A 896 4.129 -17.183 7.760 1.00 0.00 C ATOM 1559 O SER A 896 3.447 -16.574 8.583 1.00 0.00 O ATOM 1560 CB SER A 896 5.402 -18.714 9.275 1.00 0.00 C ATOM 1561 OG SER A 896 4.989 -19.985 8.804 1.00 0.00 O ATOM 0 H SER A 896 6.385 -16.370 9.483 1.00 0.00 H new ATOM 0 HA SER A 896 5.934 -18.212 7.255 1.00 0.00 H new ATOM 0 HB2 SER A 896 6.365 -18.804 9.777 1.00 0.00 H new ATOM 0 HB3 SER A 896 4.690 -18.348 10.014 1.00 0.00 H new ATOM 0 HG SER A 896 4.927 -20.609 9.557 1.00 0.00 H new ATOM 1567 N GLY A 897 3.720 -17.423 6.517 1.00 0.00 N ATOM 1568 CA GLY A 897 2.420 -16.967 6.063 1.00 0.00 C ATOM 1569 C GLY A 897 2.100 -17.435 4.657 1.00 0.00 C ATOM 1570 O GLY A 897 2.973 -17.514 3.792 1.00 0.00 O ATOM 0 H GLY A 897 4.266 -17.925 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 897 1.652 -17.329 6.747 1.00 0.00 H new ATOM 0 HA3 GLY A 897 2.388 -15.878 6.096 1.00 0.00 H new ATOM 1574 N PRO A 898 0.821 -17.757 4.414 1.00 0.00 N ATOM 1575 CA PRO A 898 0.358 -18.227 3.104 1.00 0.00 C ATOM 1576 C PRO A 898 0.384 -17.125 2.051 1.00 0.00 C ATOM 1577 O PRO A 898 0.362 -15.939 2.379 1.00 0.00 O ATOM 1578 CB PRO A 898 -1.080 -18.675 3.376 1.00 0.00 C ATOM 1579 CG PRO A 898 -1.507 -17.879 4.561 1.00 0.00 C ATOM 1580 CD PRO A 898 -0.273 -17.687 5.397 1.00 0.00 C ATOM 0 HA PRO A 898 0.996 -19.016 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 898 -1.724 -18.483 2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 898 -1.130 -19.745 3.579 1.00 0.00 H new ATOM 0 HG2 PRO A 898 -1.925 -16.920 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 898 -2.282 -18.401 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 898 -0.285 -16.729 5.917 1.00 0.00 H new ATOM 0 HD3 PRO A 898 -0.179 -18.461 6.158 1.00 0.00 H new ATOM 1588 N SER A 899 0.429 -17.525 0.784 1.00 0.00 N ATOM 1589 CA SER A 899 0.461 -16.570 -0.318 1.00 0.00 C ATOM 1590 C SER A 899 -0.931 -16.008 -0.590 1.00 0.00 C ATOM 1591 O SER A 899 -1.773 -16.671 -1.196 1.00 0.00 O ATOM 1592 CB SER A 899 1.010 -17.235 -1.581 1.00 0.00 C ATOM 1593 OG SER A 899 0.939 -16.358 -2.692 1.00 0.00 O ATOM 0 H SER A 899 0.444 -18.503 0.495 1.00 0.00 H new ATOM 0 HA SER A 899 1.117 -15.747 -0.034 1.00 0.00 H new ATOM 0 HB2 SER A 899 2.045 -17.536 -1.417 1.00 0.00 H new ATOM 0 HB3 SER A 899 0.444 -18.142 -1.793 1.00 0.00 H new ATOM 0 HG SER A 899 1.297 -16.806 -3.486 1.00 0.00 H new ATOM 1599 N SER A 900 -1.167 -14.781 -0.137 1.00 0.00 N ATOM 1600 CA SER A 900 -2.457 -14.130 -0.327 1.00 0.00 C ATOM 1601 C SER A 900 -2.668 -13.760 -1.792 1.00 0.00 C ATOM 1602 O SER A 900 -1.864 -13.042 -2.385 1.00 0.00 O ATOM 1603 CB SER A 900 -2.554 -12.878 0.546 1.00 0.00 C ATOM 1604 OG SER A 900 -2.266 -13.177 1.901 1.00 0.00 O ATOM 0 H SER A 900 -0.481 -14.217 0.365 1.00 0.00 H new ATOM 0 HA SER A 900 -3.237 -14.831 -0.031 1.00 0.00 H new ATOM 0 HB2 SER A 900 -1.859 -12.122 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 900 -3.555 -12.454 0.469 1.00 0.00 H new ATOM 0 HG SER A 900 -2.333 -12.360 2.438 1.00 0.00 H new ATOM 1610 N GLY A 901 -3.758 -14.257 -2.371 1.00 0.00 N ATOM 1611 CA GLY A 901 -4.056 -13.969 -3.762 1.00 0.00 C ATOM 1612 C GLY A 901 -4.279 -12.490 -4.012 1.00 0.00 C ATOM 1613 O GLY A 901 -4.877 -11.798 -3.189 1.00 0.00 O ATOM 0 H GLY A 901 -4.439 -14.854 -1.901 1.00 0.00 H new ATOM 0 HA2 GLY A 901 -3.235 -14.320 -4.387 1.00 0.00 H new ATOM 0 HA3 GLY A 901 -4.945 -14.523 -4.062 1.00 0.00 H new TER 1617 GLY A 901