USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 922 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 45 ASN : amide:sc= -7.75! C(o=-7.8!,f=-19!) USER MOD Set 1.2: A 62 THR OG1 : rot 83:sc= 1.03 USER MOD Set 1.3: A 64 GLN : amide:sc= -1.1 K(o=-7.8,f=-16!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.129 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 159:sc= 0.0881 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0.0872 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0343 X(o=-0.034,f=-0.35) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -0.417 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -0.0315 X(o=-0.031,f=0) USER MOD Single : A 67 ASN : amide:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.33 F(o=-1.1,f=-0.33) USER MOD Single : A 74 HIS :FLIP no HD1:sc= 0.015 F(o=-0.96,f=0.015) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 150:sc= -0.294 (180deg=-1.37) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0.00672 USER MOD Single : A 94 CYS SG : rot 110:sc= -3.25! USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.321 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.669 F(o=-2.4!,f=-0.67) USER MOD Single : A 108 THR OG1 : rot -115:sc= 0.0479 USER MOD Single : A 109 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0302) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.806 -26.175 -19.361 1.00 0.00 N ATOM 2 CA GLY A 1 24.640 -25.338 -20.203 1.00 0.00 C ATOM 3 C GLY A 1 24.018 -25.082 -21.562 1.00 0.00 C ATOM 4 O GLY A 1 24.285 -25.807 -22.521 1.00 0.00 O ATOM 0 H1 GLY A 1 24.274 -26.321 -18.444 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.888 -25.711 -19.211 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.657 -27.094 -19.824 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.817 -24.386 -19.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.612 -25.814 -20.335 1.00 0.00 H new ATOM 8 N SER A 2 23.187 -24.048 -21.645 1.00 0.00 N ATOM 9 CA SER A 2 22.522 -23.701 -22.896 1.00 0.00 C ATOM 10 C SER A 2 21.815 -22.354 -22.779 1.00 0.00 C ATOM 11 O SER A 2 21.154 -22.071 -21.780 1.00 0.00 O ATOM 12 CB SER A 2 21.514 -24.786 -23.279 1.00 0.00 C ATOM 13 OG SER A 2 20.330 -24.679 -22.509 1.00 0.00 O ATOM 0 H SER A 2 22.958 -23.436 -20.862 1.00 0.00 H new ATOM 0 HA SER A 2 23.281 -23.628 -23.675 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.271 -24.703 -24.338 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.960 -25.769 -23.131 1.00 0.00 H new ATOM 0 HG SER A 2 19.702 -25.383 -22.775 1.00 0.00 H new ATOM 19 N SER A 3 21.963 -21.525 -23.809 1.00 0.00 N ATOM 20 CA SER A 3 21.344 -20.205 -23.822 1.00 0.00 C ATOM 21 C SER A 3 21.448 -19.570 -25.204 1.00 0.00 C ATOM 22 O SER A 3 22.196 -20.040 -26.061 1.00 0.00 O ATOM 23 CB SER A 3 22.002 -19.299 -22.780 1.00 0.00 C ATOM 24 OG SER A 3 21.346 -18.044 -22.708 1.00 0.00 O ATOM 0 H SER A 3 22.506 -21.745 -24.644 1.00 0.00 H new ATOM 0 HA SER A 3 20.289 -20.323 -23.575 1.00 0.00 H new ATOM 0 HB2 SER A 3 21.976 -19.783 -21.804 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.052 -19.150 -23.034 1.00 0.00 H new ATOM 0 HG SER A 3 21.784 -17.484 -22.034 1.00 0.00 H new ATOM 30 N GLY A 4 20.691 -18.496 -25.414 1.00 0.00 N ATOM 31 CA GLY A 4 20.712 -17.813 -26.694 1.00 0.00 C ATOM 32 C GLY A 4 19.340 -17.734 -27.332 1.00 0.00 C ATOM 33 O GLY A 4 19.173 -18.065 -28.507 1.00 0.00 O ATOM 0 H GLY A 4 20.064 -18.088 -24.721 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.104 -16.805 -26.558 1.00 0.00 H new ATOM 0 HA3 GLY A 4 21.393 -18.332 -27.368 1.00 0.00 H new ATOM 37 N SER A 5 18.354 -17.296 -26.557 1.00 0.00 N ATOM 38 CA SER A 5 16.986 -17.179 -27.052 1.00 0.00 C ATOM 39 C SER A 5 16.089 -16.505 -26.018 1.00 0.00 C ATOM 40 O SER A 5 15.850 -17.049 -24.939 1.00 0.00 O ATOM 41 CB SER A 5 16.429 -18.560 -27.403 1.00 0.00 C ATOM 42 OG SER A 5 15.241 -18.453 -28.167 1.00 0.00 O ATOM 0 H SER A 5 18.476 -17.016 -25.584 1.00 0.00 H new ATOM 0 HA SER A 5 17.003 -16.562 -27.950 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.175 -19.125 -27.962 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.227 -19.117 -26.488 1.00 0.00 H new ATOM 0 HG SER A 5 14.907 -19.349 -28.379 1.00 0.00 H new ATOM 48 N SER A 6 15.597 -15.318 -26.355 1.00 0.00 N ATOM 49 CA SER A 6 14.730 -14.566 -25.456 1.00 0.00 C ATOM 50 C SER A 6 13.781 -15.500 -24.710 1.00 0.00 C ATOM 51 O SER A 6 13.582 -15.366 -23.503 1.00 0.00 O ATOM 52 CB SER A 6 13.928 -13.525 -26.238 1.00 0.00 C ATOM 53 OG SER A 6 13.264 -12.630 -25.362 1.00 0.00 O ATOM 0 H SER A 6 15.784 -14.856 -27.245 1.00 0.00 H new ATOM 0 HA SER A 6 15.359 -14.056 -24.727 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.594 -12.967 -26.896 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.198 -14.026 -26.873 1.00 0.00 H new ATOM 0 HG SER A 6 12.760 -11.973 -25.886 1.00 0.00 H new ATOM 59 N GLY A 7 13.198 -16.448 -25.438 1.00 0.00 N ATOM 60 CA GLY A 7 12.277 -17.390 -24.830 1.00 0.00 C ATOM 61 C GLY A 7 11.042 -17.622 -25.679 1.00 0.00 C ATOM 62 O GLY A 7 10.003 -17.003 -25.456 1.00 0.00 O ATOM 0 H GLY A 7 13.347 -16.580 -26.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.787 -18.340 -24.669 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.976 -17.019 -23.850 1.00 0.00 H new ATOM 66 N GLU A 8 11.157 -18.517 -26.655 1.00 0.00 N ATOM 67 CA GLU A 8 10.041 -18.828 -27.540 1.00 0.00 C ATOM 68 C GLU A 8 9.323 -20.096 -27.086 1.00 0.00 C ATOM 69 O GLU A 8 8.301 -20.482 -27.655 1.00 0.00 O ATOM 70 CB GLU A 8 10.534 -18.997 -28.979 1.00 0.00 C ATOM 71 CG GLU A 8 9.436 -18.855 -30.020 1.00 0.00 C ATOM 72 CD GLU A 8 9.828 -19.435 -31.364 1.00 0.00 C ATOM 73 OE1 GLU A 8 10.448 -18.706 -32.166 1.00 0.00 O ATOM 74 OE2 GLU A 8 9.515 -20.618 -31.615 1.00 0.00 O ATOM 0 H GLU A 8 12.011 -19.039 -26.853 1.00 0.00 H new ATOM 0 HA GLU A 8 9.337 -17.997 -27.499 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.309 -18.257 -29.178 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.996 -19.979 -29.083 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.535 -19.353 -29.662 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.190 -17.800 -30.142 1.00 0.00 H new ATOM 81 N VAL A 9 9.865 -20.740 -26.058 1.00 0.00 N ATOM 82 CA VAL A 9 9.276 -21.964 -25.525 1.00 0.00 C ATOM 83 C VAL A 9 8.309 -21.659 -24.388 1.00 0.00 C ATOM 84 O VAL A 9 7.332 -22.379 -24.179 1.00 0.00 O ATOM 85 CB VAL A 9 10.361 -22.933 -25.018 1.00 0.00 C ATOM 86 CG1 VAL A 9 10.886 -23.791 -26.159 1.00 0.00 C ATOM 87 CG2 VAL A 9 11.493 -22.165 -24.353 1.00 0.00 C ATOM 0 H VAL A 9 10.711 -20.435 -25.577 1.00 0.00 H new ATOM 0 HA VAL A 9 8.731 -22.436 -26.343 1.00 0.00 H new ATOM 0 HB VAL A 9 9.915 -23.593 -24.274 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.651 -24.469 -25.782 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.067 -24.370 -26.586 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.316 -23.150 -26.928 1.00 0.00 H new ATOM 0 HG21 VAL A 9 12.250 -22.865 -24.001 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.940 -21.479 -25.073 1.00 0.00 H new ATOM 0 HG23 VAL A 9 11.101 -21.599 -23.508 1.00 0.00 H new ATOM 97 N LEU A 10 8.586 -20.586 -23.654 1.00 0.00 N ATOM 98 CA LEU A 10 7.740 -20.184 -22.536 1.00 0.00 C ATOM 99 C LEU A 10 6.383 -19.692 -23.029 1.00 0.00 C ATOM 100 O LEU A 10 6.273 -18.604 -23.591 1.00 0.00 O ATOM 101 CB LEU A 10 8.427 -19.088 -21.720 1.00 0.00 C ATOM 102 CG LEU A 10 9.337 -19.565 -20.587 1.00 0.00 C ATOM 103 CD1 LEU A 10 10.175 -18.413 -20.056 1.00 0.00 C ATOM 104 CD2 LEU A 10 8.515 -20.188 -19.469 1.00 0.00 C ATOM 0 H LEU A 10 9.390 -19.979 -23.813 1.00 0.00 H new ATOM 0 HA LEU A 10 7.581 -21.056 -21.901 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.018 -18.473 -22.399 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.658 -18.444 -21.294 1.00 0.00 H new ATOM 0 HG LEU A 10 10.010 -20.326 -20.983 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.816 -18.771 -19.251 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.792 -18.011 -20.860 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.518 -17.630 -19.676 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.179 -20.522 -18.672 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.818 -19.449 -19.075 1.00 0.00 H new ATOM 0 HD23 LEU A 10 7.959 -21.041 -19.858 1.00 0.00 H new ATOM 116 N ALA A 11 5.352 -20.503 -22.813 1.00 0.00 N ATOM 117 CA ALA A 11 4.001 -20.148 -23.232 1.00 0.00 C ATOM 118 C ALA A 11 3.743 -18.656 -23.048 1.00 0.00 C ATOM 119 O ALA A 11 3.681 -17.901 -24.018 1.00 0.00 O ATOM 120 CB ALA A 11 2.977 -20.962 -22.456 1.00 0.00 C ATOM 0 H ALA A 11 5.426 -21.409 -22.351 1.00 0.00 H new ATOM 0 HA ALA A 11 3.904 -20.379 -24.293 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.973 -20.687 -22.779 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.140 -22.024 -22.642 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.084 -20.760 -21.390 1.00 0.00 H new ATOM 126 N LYS A 12 3.593 -18.237 -21.796 1.00 0.00 N ATOM 127 CA LYS A 12 3.342 -16.835 -21.484 1.00 0.00 C ATOM 128 C LYS A 12 3.611 -16.549 -20.009 1.00 0.00 C ATOM 129 O LYS A 12 2.819 -16.917 -19.142 1.00 0.00 O ATOM 130 CB LYS A 12 1.897 -16.465 -21.829 1.00 0.00 C ATOM 131 CG LYS A 12 1.533 -15.034 -21.469 1.00 0.00 C ATOM 132 CD LYS A 12 2.217 -14.037 -22.389 1.00 0.00 C ATOM 133 CE LYS A 12 1.483 -13.907 -23.715 1.00 0.00 C ATOM 134 NZ LYS A 12 2.236 -13.065 -24.685 1.00 0.00 N ATOM 0 H LYS A 12 3.641 -18.848 -20.981 1.00 0.00 H new ATOM 0 HA LYS A 12 4.020 -16.228 -22.084 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.738 -16.614 -22.897 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.222 -17.145 -21.308 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.452 -14.906 -21.531 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.819 -14.833 -20.436 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.264 -13.063 -21.901 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.244 -14.353 -22.570 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.324 -14.898 -24.141 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.498 -13.472 -23.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.703 -13.001 -25.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.366 -12.112 -24.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.166 -13.493 -24.868 1.00 0.00 H new ATOM 148 N GLU A 13 4.733 -15.891 -19.734 1.00 0.00 N ATOM 149 CA GLU A 13 5.106 -15.556 -18.365 1.00 0.00 C ATOM 150 C GLU A 13 4.130 -14.547 -17.767 1.00 0.00 C ATOM 151 O GLU A 13 3.304 -13.974 -18.475 1.00 0.00 O ATOM 152 CB GLU A 13 6.528 -14.994 -18.323 1.00 0.00 C ATOM 153 CG GLU A 13 6.768 -13.870 -19.317 1.00 0.00 C ATOM 154 CD GLU A 13 7.808 -12.877 -18.834 1.00 0.00 C ATOM 155 OE1 GLU A 13 8.779 -13.309 -18.178 1.00 0.00 O ATOM 156 OE2 GLU A 13 7.652 -11.670 -19.112 1.00 0.00 O ATOM 0 H GLU A 13 5.399 -15.580 -20.441 1.00 0.00 H new ATOM 0 HA GLU A 13 5.067 -16.469 -17.771 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.736 -14.629 -17.317 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.234 -15.800 -18.521 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.090 -14.294 -20.268 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.830 -13.347 -19.502 1.00 0.00 H new ATOM 163 N GLU A 14 4.233 -14.337 -16.459 1.00 0.00 N ATOM 164 CA GLU A 14 3.359 -13.398 -15.765 1.00 0.00 C ATOM 165 C GLU A 14 4.173 -12.356 -15.004 1.00 0.00 C ATOM 166 O GLU A 14 5.310 -12.610 -14.608 1.00 0.00 O ATOM 167 CB GLU A 14 2.436 -14.144 -14.800 1.00 0.00 C ATOM 168 CG GLU A 14 3.176 -14.879 -13.695 1.00 0.00 C ATOM 169 CD GLU A 14 2.238 -15.545 -12.708 1.00 0.00 C ATOM 170 OE1 GLU A 14 1.393 -16.355 -13.144 1.00 0.00 O ATOM 171 OE2 GLU A 14 2.348 -15.256 -11.498 1.00 0.00 O ATOM 0 H GLU A 14 4.912 -14.804 -15.858 1.00 0.00 H new ATOM 0 HA GLU A 14 2.754 -12.885 -16.513 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.743 -13.433 -14.351 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.838 -14.860 -15.363 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.827 -15.633 -14.138 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.818 -14.177 -13.163 1.00 0.00 H new ATOM 178 N ALA A 15 3.584 -11.182 -14.804 1.00 0.00 N ATOM 179 CA ALA A 15 4.253 -10.102 -14.089 1.00 0.00 C ATOM 180 C ALA A 15 3.243 -9.115 -13.515 1.00 0.00 C ATOM 181 O ALA A 15 2.069 -9.127 -13.887 1.00 0.00 O ATOM 182 CB ALA A 15 5.229 -9.386 -15.010 1.00 0.00 C ATOM 0 H ALA A 15 2.644 -10.954 -15.127 1.00 0.00 H new ATOM 0 HA ALA A 15 4.807 -10.538 -13.258 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.722 -8.582 -14.464 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.977 -10.093 -15.368 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.688 -8.969 -15.860 1.00 0.00 H new ATOM 188 N ARG A 16 3.706 -8.261 -12.608 1.00 0.00 N ATOM 189 CA ARG A 16 2.842 -7.269 -11.981 1.00 0.00 C ATOM 190 C ARG A 16 1.627 -7.933 -11.341 1.00 0.00 C ATOM 191 O ARG A 16 0.581 -7.305 -11.171 1.00 0.00 O ATOM 192 CB ARG A 16 2.386 -6.234 -13.012 1.00 0.00 C ATOM 193 CG ARG A 16 3.319 -5.040 -13.128 1.00 0.00 C ATOM 194 CD ARG A 16 4.575 -5.386 -13.911 1.00 0.00 C ATOM 195 NE ARG A 16 5.684 -4.492 -13.592 1.00 0.00 N ATOM 196 CZ ARG A 16 6.341 -4.519 -12.437 1.00 0.00 C ATOM 197 NH1 ARG A 16 6.001 -5.390 -11.498 1.00 0.00 N ATOM 198 NH2 ARG A 16 7.339 -3.672 -12.221 1.00 0.00 N ATOM 0 H ARG A 16 4.675 -8.236 -12.291 1.00 0.00 H new ATOM 0 HA ARG A 16 3.414 -6.767 -11.200 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.303 -6.716 -13.986 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.390 -5.882 -12.745 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.799 -4.217 -13.618 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.594 -4.694 -12.132 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.865 -6.414 -13.695 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.362 -5.333 -14.979 1.00 0.00 H new ATOM 0 HE ARG A 16 5.970 -3.809 -14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.233 -6.042 -11.661 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.507 -5.409 -10.612 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.602 -3.000 -12.941 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.843 -3.693 -11.334 1.00 0.00 H new ATOM 212 N ARG A 17 1.772 -9.206 -10.986 1.00 0.00 N ATOM 213 CA ARG A 17 0.686 -9.955 -10.367 1.00 0.00 C ATOM 214 C ARG A 17 0.180 -9.244 -9.115 1.00 0.00 C ATOM 215 O ARG A 17 0.748 -9.391 -8.033 1.00 0.00 O ATOM 216 CB ARG A 17 1.150 -11.368 -10.010 1.00 0.00 C ATOM 217 CG ARG A 17 0.029 -12.277 -9.535 1.00 0.00 C ATOM 218 CD ARG A 17 0.569 -13.478 -8.776 1.00 0.00 C ATOM 219 NE ARG A 17 -0.494 -14.395 -8.374 1.00 0.00 N ATOM 220 CZ ARG A 17 -0.280 -15.655 -8.009 1.00 0.00 C ATOM 221 NH1 ARG A 17 0.952 -16.145 -7.997 1.00 0.00 N ATOM 222 NH2 ARG A 17 -1.299 -16.427 -7.656 1.00 0.00 N ATOM 0 H ARG A 17 2.631 -9.740 -11.117 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.132 -10.019 -11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.624 -11.817 -10.883 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.910 -11.305 -9.231 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.649 -11.715 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.552 -12.618 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.288 -14.008 -9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.106 -13.136 -7.891 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.454 -14.050 -8.373 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.738 -15.555 -8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.113 -17.112 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.248 -16.054 -7.664 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.133 -17.394 -7.376 1.00 0.00 H new ATOM 236 N ALA A 18 -0.891 -8.472 -9.271 1.00 0.00 N ATOM 237 CA ALA A 18 -1.474 -7.740 -8.154 1.00 0.00 C ATOM 238 C ALA A 18 -2.865 -8.268 -7.817 1.00 0.00 C ATOM 239 O ALA A 18 -3.796 -7.494 -7.594 1.00 0.00 O ATOM 240 CB ALA A 18 -1.535 -6.253 -8.471 1.00 0.00 C ATOM 0 H ALA A 18 -1.372 -8.338 -10.160 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.836 -7.889 -7.283 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.973 -5.719 -7.628 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.528 -5.878 -8.655 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.148 -6.095 -9.358 1.00 0.00 H new ATOM 246 N LEU A 19 -2.997 -9.589 -7.781 1.00 0.00 N ATOM 247 CA LEU A 19 -4.276 -10.221 -7.471 1.00 0.00 C ATOM 248 C LEU A 19 -4.593 -10.107 -5.984 1.00 0.00 C ATOM 249 O LEU A 19 -5.593 -9.502 -5.599 1.00 0.00 O ATOM 250 CB LEU A 19 -4.253 -11.693 -7.888 1.00 0.00 C ATOM 251 CG LEU A 19 -3.904 -11.972 -9.350 1.00 0.00 C ATOM 252 CD1 LEU A 19 -3.834 -13.469 -9.607 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.921 -11.318 -10.275 1.00 0.00 C ATOM 0 H LEU A 19 -2.236 -10.243 -7.962 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.055 -9.703 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.535 -12.217 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.233 -12.124 -7.681 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.924 -11.543 -9.557 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.584 -13.647 -10.653 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.068 -13.912 -8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.799 -13.922 -9.382 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.657 -11.527 -11.312 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.913 -11.718 -10.066 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.922 -10.240 -10.111 1.00 0.00 H new ATOM 265 N GLU A 20 -3.734 -10.690 -5.154 1.00 0.00 N ATOM 266 CA GLU A 20 -3.924 -10.651 -3.709 1.00 0.00 C ATOM 267 C GLU A 20 -3.933 -9.213 -3.199 1.00 0.00 C ATOM 268 O GLU A 20 -4.731 -8.854 -2.332 1.00 0.00 O ATOM 269 CB GLU A 20 -2.820 -11.445 -3.006 1.00 0.00 C ATOM 270 CG GLU A 20 -1.417 -11.021 -3.404 1.00 0.00 C ATOM 271 CD GLU A 20 -0.411 -12.149 -3.288 1.00 0.00 C ATOM 272 OE1 GLU A 20 -0.368 -13.002 -4.200 1.00 0.00 O ATOM 273 OE2 GLU A 20 0.334 -12.179 -2.286 1.00 0.00 O ATOM 0 H GLU A 20 -2.901 -11.194 -5.457 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.889 -11.104 -3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.933 -11.331 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.947 -12.504 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.430 -10.655 -4.431 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.100 -10.190 -2.773 1.00 0.00 H new ATOM 280 N THR A 21 -3.041 -8.392 -3.744 1.00 0.00 N ATOM 281 CA THR A 21 -2.944 -6.994 -3.344 1.00 0.00 C ATOM 282 C THR A 21 -3.109 -6.067 -4.544 1.00 0.00 C ATOM 283 O THR A 21 -2.773 -6.413 -5.677 1.00 0.00 O ATOM 284 CB THR A 21 -1.597 -6.696 -2.662 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.626 -6.312 -3.640 1.00 0.00 O ATOM 286 CG2 THR A 21 -1.098 -7.913 -1.895 1.00 0.00 C ATOM 0 H THR A 21 -2.375 -8.672 -4.464 1.00 0.00 H new ATOM 0 HA THR A 21 -3.750 -6.812 -2.633 1.00 0.00 H new ATOM 0 HB THR A 21 -1.745 -5.877 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.096 -5.812 -3.205 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.145 -7.679 -1.421 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.826 -8.185 -1.131 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.966 -8.748 -2.583 1.00 0.00 H new ATOM 294 N PRO A 22 -3.636 -4.860 -4.292 1.00 0.00 N ATOM 295 CA PRO A 22 -3.856 -3.858 -5.339 1.00 0.00 C ATOM 296 C PRO A 22 -2.549 -3.283 -5.874 1.00 0.00 C ATOM 297 O PRO A 22 -1.571 -3.149 -5.139 1.00 0.00 O ATOM 298 CB PRO A 22 -4.666 -2.771 -4.627 1.00 0.00 C ATOM 299 CG PRO A 22 -4.306 -2.914 -3.188 1.00 0.00 C ATOM 300 CD PRO A 22 -4.059 -4.380 -2.965 1.00 0.00 C ATOM 0 HA PRO A 22 -4.358 -4.282 -6.209 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.413 -1.779 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.736 -2.908 -4.783 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.419 -2.328 -2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.110 -2.552 -2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.289 -4.548 -2.212 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.958 -4.891 -2.620 1.00 0.00 H new ATOM 308 N SER A 23 -2.538 -2.945 -7.160 1.00 0.00 N ATOM 309 CA SER A 23 -1.350 -2.388 -7.795 1.00 0.00 C ATOM 310 C SER A 23 -0.691 -1.348 -6.894 1.00 0.00 C ATOM 311 O SER A 23 0.522 -1.375 -6.682 1.00 0.00 O ATOM 312 CB SER A 23 -1.713 -1.757 -9.141 1.00 0.00 C ATOM 313 OG SER A 23 -2.344 -2.698 -9.991 1.00 0.00 O ATOM 0 H SER A 23 -3.339 -3.048 -7.782 1.00 0.00 H new ATOM 0 HA SER A 23 -0.642 -3.200 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.375 -0.906 -8.981 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.813 -1.374 -9.622 1.00 0.00 H new ATOM 0 HG SER A 23 -2.568 -2.270 -10.844 1.00 0.00 H new ATOM 319 N CYS A 24 -1.498 -0.434 -6.368 1.00 0.00 N ATOM 320 CA CYS A 24 -0.994 0.617 -5.490 1.00 0.00 C ATOM 321 C CYS A 24 0.097 0.079 -4.569 1.00 0.00 C ATOM 322 O CYS A 24 1.136 0.714 -4.384 1.00 0.00 O ATOM 323 CB CYS A 24 -2.134 1.206 -4.660 1.00 0.00 C ATOM 324 SG CYS A 24 -3.582 1.688 -5.629 1.00 0.00 S ATOM 0 H CYS A 24 -2.504 -0.399 -6.534 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.564 1.402 -6.112 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.439 0.475 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.764 2.079 -4.122 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.492 2.173 -4.837 1.00 0.00 H new ATOM 330 N PHE A 25 -0.146 -1.093 -3.994 1.00 0.00 N ATOM 331 CA PHE A 25 0.814 -1.715 -3.090 1.00 0.00 C ATOM 332 C PHE A 25 2.203 -1.761 -3.720 1.00 0.00 C ATOM 333 O PHE A 25 2.343 -1.759 -4.944 1.00 0.00 O ATOM 334 CB PHE A 25 0.361 -3.130 -2.726 1.00 0.00 C ATOM 335 CG PHE A 25 1.366 -3.890 -1.907 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.355 -4.639 -2.525 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.323 -3.855 -0.523 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.282 -5.339 -1.774 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.246 -4.552 0.231 1.00 0.00 C ATOM 340 CZ PHE A 25 3.228 -5.295 -0.395 1.00 0.00 C ATOM 0 H PHE A 25 -1.000 -1.632 -4.138 1.00 0.00 H new ATOM 0 HA PHE A 25 0.865 -1.112 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.577 -3.072 -2.173 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.157 -3.684 -3.642 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.402 -4.676 -3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.558 -3.275 -0.028 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.048 -5.920 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.200 -4.516 1.309 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.952 -5.840 0.193 1.00 0.00 H new ATOM 350 N LEU A 26 3.228 -1.801 -2.876 1.00 0.00 N ATOM 351 CA LEU A 26 4.608 -1.847 -3.349 1.00 0.00 C ATOM 352 C LEU A 26 5.507 -2.547 -2.336 1.00 0.00 C ATOM 353 O LEU A 26 5.229 -2.546 -1.136 1.00 0.00 O ATOM 354 CB LEU A 26 5.123 -0.432 -3.614 1.00 0.00 C ATOM 355 CG LEU A 26 4.414 0.693 -2.861 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.631 0.553 -1.363 1.00 0.00 C ATOM 357 CD2 LEU A 26 4.901 2.051 -3.348 1.00 0.00 C ATOM 0 H LEU A 26 3.130 -1.803 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 26 4.630 -2.415 -4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.183 -0.400 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.044 -0.233 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 26 3.345 0.620 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.119 1.363 -0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.232 -0.404 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.698 0.599 -1.144 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.385 2.840 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 5.975 2.134 -3.179 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.692 2.152 -4.413 1.00 0.00 H new ATOM 369 N LYS A 27 6.590 -3.142 -2.825 1.00 0.00 N ATOM 370 CA LYS A 27 7.534 -3.844 -1.964 1.00 0.00 C ATOM 371 C LYS A 27 8.689 -2.931 -1.566 1.00 0.00 C ATOM 372 O LYS A 27 9.581 -2.655 -2.369 1.00 0.00 O ATOM 373 CB LYS A 27 8.075 -5.089 -2.671 1.00 0.00 C ATOM 374 CG LYS A 27 7.161 -6.298 -2.557 1.00 0.00 C ATOM 375 CD LYS A 27 7.784 -7.529 -3.193 1.00 0.00 C ATOM 376 CE LYS A 27 7.051 -8.798 -2.785 1.00 0.00 C ATOM 377 NZ LYS A 27 7.456 -9.964 -3.619 1.00 0.00 N ATOM 0 H LYS A 27 6.836 -3.152 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 27 7.005 -4.148 -1.061 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.230 -4.859 -3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.050 -5.340 -2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.949 -6.498 -1.507 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.208 -6.081 -3.039 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.764 -7.429 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.831 -7.602 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.254 -9.014 -1.736 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.976 -8.642 -2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.935 -10.809 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.239 -9.769 -4.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.477 -10.129 -3.513 1.00 0.00 H new ATOM 391 N VAL A 28 8.668 -2.465 -0.321 1.00 0.00 N ATOM 392 CA VAL A 28 9.716 -1.585 0.185 1.00 0.00 C ATOM 393 C VAL A 28 9.935 -1.794 1.678 1.00 0.00 C ATOM 394 O VAL A 28 9.213 -2.555 2.322 1.00 0.00 O ATOM 395 CB VAL A 28 9.377 -0.105 -0.072 1.00 0.00 C ATOM 396 CG1 VAL A 28 8.848 0.085 -1.486 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.370 0.396 0.953 1.00 0.00 C ATOM 0 H VAL A 28 7.937 -2.682 0.356 1.00 0.00 H new ATOM 0 HA VAL A 28 10.630 -1.839 -0.352 1.00 0.00 H new ATOM 0 HB VAL A 28 10.290 0.481 0.031 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.614 1.137 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.604 -0.234 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.946 -0.512 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.142 1.444 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.456 -0.194 0.884 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.790 0.298 1.954 1.00 0.00 H new ATOM 407 N SER A 29 10.937 -1.112 2.224 1.00 0.00 N ATOM 408 CA SER A 29 11.255 -1.225 3.643 1.00 0.00 C ATOM 409 C SER A 29 10.352 -0.319 4.476 1.00 0.00 C ATOM 410 O SER A 29 9.758 0.628 3.959 1.00 0.00 O ATOM 411 CB SER A 29 12.722 -0.867 3.889 1.00 0.00 C ATOM 412 OG SER A 29 13.586 -1.772 3.225 1.00 0.00 O ATOM 0 H SER A 29 11.542 -0.476 1.705 1.00 0.00 H new ATOM 0 HA SER A 29 11.085 -2.258 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.915 0.147 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.928 -0.881 4.959 1.00 0.00 H new ATOM 0 HG SER A 29 14.518 -1.521 3.397 1.00 0.00 H new ATOM 418 N ARG A 30 10.255 -0.617 5.767 1.00 0.00 N ATOM 419 CA ARG A 30 9.424 0.168 6.672 1.00 0.00 C ATOM 420 C ARG A 30 9.824 1.640 6.637 1.00 0.00 C ATOM 421 O ARG A 30 8.969 2.527 6.623 1.00 0.00 O ATOM 422 CB ARG A 30 9.538 -0.369 8.099 1.00 0.00 C ATOM 423 CG ARG A 30 8.461 0.152 9.035 1.00 0.00 C ATOM 424 CD ARG A 30 8.799 1.540 9.556 1.00 0.00 C ATOM 425 NE ARG A 30 8.073 1.856 10.783 1.00 0.00 N ATOM 426 CZ ARG A 30 7.971 3.083 11.281 1.00 0.00 C ATOM 427 NH1 ARG A 30 8.543 4.105 10.660 1.00 0.00 N ATOM 428 NH2 ARG A 30 7.294 3.291 12.404 1.00 0.00 N ATOM 0 H ARG A 30 10.741 -1.396 6.210 1.00 0.00 H new ATOM 0 HA ARG A 30 8.389 0.082 6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.489 -1.458 8.073 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.516 -0.103 8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.506 0.182 8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.344 -0.534 9.874 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.871 1.606 9.742 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.561 2.281 8.793 1.00 0.00 H new ATOM 0 HE ARG A 30 7.619 1.093 11.285 1.00 0.00 H new ATOM 0 HH11 ARG A 30 9.064 3.950 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.462 5.046 11.046 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.852 2.508 12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.216 4.234 12.786 1.00 0.00 H new ATOM 442 N LEU A 31 11.128 1.893 6.625 1.00 0.00 N ATOM 443 CA LEU A 31 11.642 3.258 6.593 1.00 0.00 C ATOM 444 C LEU A 31 11.455 3.877 5.212 1.00 0.00 C ATOM 445 O LEU A 31 11.021 5.022 5.089 1.00 0.00 O ATOM 446 CB LEU A 31 13.124 3.275 6.976 1.00 0.00 C ATOM 447 CG LEU A 31 13.429 3.274 8.473 1.00 0.00 C ATOM 448 CD1 LEU A 31 14.808 2.688 8.737 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.330 4.683 9.039 1.00 0.00 C ATOM 0 H LEU A 31 11.849 1.171 6.637 1.00 0.00 H new ATOM 0 HA LEU A 31 11.080 3.849 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.605 2.406 6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.583 4.158 6.532 1.00 0.00 H new ATOM 0 HG LEU A 31 12.689 2.650 8.974 1.00 0.00 H new ATOM 0 HD11 LEU A 31 15.008 2.696 9.809 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.844 1.663 8.368 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.561 3.285 8.223 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.550 4.663 10.106 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.047 5.330 8.533 1.00 0.00 H new ATOM 0 HD23 LEU A 31 12.322 5.067 8.884 1.00 0.00 H new ATOM 461 N GLU A 32 11.785 3.113 4.176 1.00 0.00 N ATOM 462 CA GLU A 32 11.652 3.588 2.803 1.00 0.00 C ATOM 463 C GLU A 32 10.238 4.095 2.538 1.00 0.00 C ATOM 464 O GLU A 32 10.038 5.262 2.201 1.00 0.00 O ATOM 465 CB GLU A 32 11.997 2.470 1.817 1.00 0.00 C ATOM 466 CG GLU A 32 13.469 2.420 1.445 1.00 0.00 C ATOM 467 CD GLU A 32 13.741 1.516 0.259 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.578 0.286 0.399 1.00 0.00 O ATOM 469 OE2 GLU A 32 14.117 2.039 -0.812 1.00 0.00 O ATOM 0 H GLU A 32 12.146 2.163 4.261 1.00 0.00 H new ATOM 0 HA GLU A 32 12.349 4.414 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.708 1.513 2.250 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.406 2.601 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.816 3.428 1.216 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.045 2.071 2.302 1.00 0.00 H new ATOM 476 N ALA A 33 9.259 3.209 2.693 1.00 0.00 N ATOM 477 CA ALA A 33 7.863 3.567 2.472 1.00 0.00 C ATOM 478 C ALA A 33 7.548 4.939 3.058 1.00 0.00 C ATOM 479 O ALA A 33 6.686 5.657 2.553 1.00 0.00 O ATOM 480 CB ALA A 33 6.946 2.511 3.071 1.00 0.00 C ATOM 0 H ALA A 33 9.407 2.239 2.971 1.00 0.00 H new ATOM 0 HA ALA A 33 7.692 3.613 1.397 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.907 2.791 2.899 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.145 1.548 2.601 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.129 2.436 4.143 1.00 0.00 H new ATOM 486 N GLN A 34 8.252 5.295 4.128 1.00 0.00 N ATOM 487 CA GLN A 34 8.046 6.581 4.784 1.00 0.00 C ATOM 488 C GLN A 34 8.628 7.718 3.949 1.00 0.00 C ATOM 489 O GLN A 34 7.987 8.752 3.757 1.00 0.00 O ATOM 490 CB GLN A 34 8.682 6.576 6.175 1.00 0.00 C ATOM 491 CG GLN A 34 8.159 7.674 7.087 1.00 0.00 C ATOM 492 CD GLN A 34 9.154 8.062 8.164 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.331 8.287 7.884 1.00 0.00 O ATOM 494 NE2 GLN A 34 8.684 8.142 9.403 1.00 0.00 N ATOM 0 H GLN A 34 8.969 4.712 4.559 1.00 0.00 H new ATOM 0 HA GLN A 34 6.973 6.741 4.884 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.502 5.609 6.644 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.762 6.684 6.072 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.916 8.552 6.489 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.233 7.341 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 34 7.700 7.947 9.589 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.307 8.399 10.169 1.00 0.00 H new ATOM 503 N LEU A 35 9.846 7.520 3.457 1.00 0.00 N ATOM 504 CA LEU A 35 10.515 8.527 2.643 1.00 0.00 C ATOM 505 C LEU A 35 9.846 8.658 1.279 1.00 0.00 C ATOM 506 O LEU A 35 9.798 9.744 0.701 1.00 0.00 O ATOM 507 CB LEU A 35 11.993 8.172 2.469 1.00 0.00 C ATOM 508 CG LEU A 35 12.331 7.279 1.274 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.410 8.103 -0.002 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.638 6.539 1.515 1.00 0.00 C ATOM 0 H LEU A 35 10.390 6.671 3.608 1.00 0.00 H new ATOM 0 HA LEU A 35 10.437 9.485 3.158 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.560 9.098 2.377 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.337 7.676 3.377 1.00 0.00 H new ATOM 0 HG LEU A 35 11.536 6.543 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.651 7.451 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.450 8.587 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.185 8.862 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.863 5.908 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.443 7.260 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.546 5.918 2.406 1.00 0.00 H new ATOM 522 N LEU A 36 9.332 7.544 0.769 1.00 0.00 N ATOM 523 CA LEU A 36 8.663 7.534 -0.528 1.00 0.00 C ATOM 524 C LEU A 36 7.556 8.581 -0.578 1.00 0.00 C ATOM 525 O LEU A 36 7.080 8.946 -1.653 1.00 0.00 O ATOM 526 CB LEU A 36 8.083 6.147 -0.813 1.00 0.00 C ATOM 527 CG LEU A 36 9.001 5.175 -1.555 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.279 5.675 -2.963 1.00 0.00 C ATOM 529 CD2 LEU A 36 10.301 4.980 -0.789 1.00 0.00 C ATOM 0 H LEU A 36 9.365 6.636 1.233 1.00 0.00 H new ATOM 0 HA LEU A 36 9.401 7.777 -1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.797 5.693 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.170 6.270 -1.396 1.00 0.00 H new ATOM 0 HG LEU A 36 8.497 4.211 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.934 4.971 -3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.340 5.763 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.763 6.651 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.942 4.285 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.810 5.938 -0.686 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.084 4.576 0.200 1.00 0.00 H new ATOM 541 N LEU A 37 7.151 9.062 0.592 1.00 0.00 N ATOM 542 CA LEU A 37 6.099 10.070 0.682 1.00 0.00 C ATOM 543 C LEU A 37 6.660 11.465 0.423 1.00 0.00 C ATOM 544 O LEU A 37 6.196 12.175 -0.469 1.00 0.00 O ATOM 545 CB LEU A 37 5.437 10.023 2.060 1.00 0.00 C ATOM 546 CG LEU A 37 4.694 8.731 2.403 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.215 8.758 3.846 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.523 8.520 1.455 1.00 0.00 C ATOM 0 H LEU A 37 7.534 8.771 1.491 1.00 0.00 H new ATOM 0 HA LEU A 37 5.352 9.850 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.205 10.189 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.734 10.853 2.132 1.00 0.00 H new ATOM 0 HG LEU A 37 5.385 7.896 2.286 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.689 7.831 4.072 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.072 8.860 4.512 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.541 9.602 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.007 7.596 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.831 9.358 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.891 8.455 0.431 1.00 0.00 H new ATOM 560 N GLU A 38 7.662 11.850 1.207 1.00 0.00 N ATOM 561 CA GLU A 38 8.286 13.159 1.060 1.00 0.00 C ATOM 562 C GLU A 38 8.899 13.317 -0.329 1.00 0.00 C ATOM 563 O GLU A 38 8.948 14.419 -0.875 1.00 0.00 O ATOM 564 CB GLU A 38 9.361 13.359 2.130 1.00 0.00 C ATOM 565 CG GLU A 38 10.525 12.389 2.012 1.00 0.00 C ATOM 566 CD GLU A 38 11.668 12.732 2.948 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.447 12.742 4.177 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.784 12.992 2.451 1.00 0.00 O ATOM 0 H GLU A 38 8.059 11.274 1.950 1.00 0.00 H new ATOM 0 HA GLU A 38 7.513 13.918 1.185 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.741 14.379 2.065 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.906 13.250 3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.175 11.379 2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.889 12.388 0.985 1.00 0.00 H new ATOM 575 N ARG A 39 9.366 12.209 -0.893 1.00 0.00 N ATOM 576 CA ARG A 39 9.978 12.223 -2.216 1.00 0.00 C ATOM 577 C ARG A 39 8.920 12.394 -3.302 1.00 0.00 C ATOM 578 O ARG A 39 9.033 13.269 -4.161 1.00 0.00 O ATOM 579 CB ARG A 39 10.763 10.932 -2.453 1.00 0.00 C ATOM 580 CG ARG A 39 12.215 11.013 -2.009 1.00 0.00 C ATOM 581 CD ARG A 39 13.075 9.987 -2.731 1.00 0.00 C ATOM 582 NE ARG A 39 13.554 10.482 -4.019 1.00 0.00 N ATOM 583 CZ ARG A 39 14.583 9.956 -4.672 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.239 8.924 -4.160 1.00 0.00 N ATOM 585 NH2 ARG A 39 14.958 10.462 -5.840 1.00 0.00 N ATOM 0 H ARG A 39 9.332 11.289 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 39 10.663 13.070 -2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.274 10.116 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.729 10.686 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.601 12.014 -2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.278 10.850 -0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.927 9.723 -2.105 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.498 9.075 -2.885 1.00 0.00 H new ATOM 0 HE ARG A 39 13.071 11.276 -4.440 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.953 8.533 -3.262 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.029 8.521 -4.664 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.455 11.256 -6.237 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.749 10.057 -6.341 1.00 0.00 H new ATOM 599 N TYR A 40 7.894 11.551 -3.258 1.00 0.00 N ATOM 600 CA TYR A 40 6.817 11.606 -4.239 1.00 0.00 C ATOM 601 C TYR A 40 5.476 11.879 -3.564 1.00 0.00 C ATOM 602 O TYR A 40 4.612 11.008 -3.468 1.00 0.00 O ATOM 603 CB TYR A 40 6.746 10.296 -5.025 1.00 0.00 C ATOM 604 CG TYR A 40 8.095 9.800 -5.496 1.00 0.00 C ATOM 605 CD1 TYR A 40 8.939 9.104 -4.640 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.526 10.029 -6.797 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.172 8.649 -5.066 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.757 9.576 -7.232 1.00 0.00 C ATOM 609 CZ TYR A 40 10.576 8.887 -6.363 1.00 0.00 C ATOM 610 OH TYR A 40 11.803 8.436 -6.792 1.00 0.00 O ATOM 0 H TYR A 40 7.786 10.822 -2.553 1.00 0.00 H new ATOM 0 HA TYR A 40 7.030 12.424 -4.927 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.285 9.531 -4.400 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.097 10.435 -5.890 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.626 8.915 -3.624 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.888 10.570 -7.480 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.816 8.110 -4.387 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.076 9.761 -8.247 1.00 0.00 H new ATOM 0 HH TYR A 40 11.933 8.686 -7.731 1.00 0.00 H new ATOM 620 N PRO A 41 5.299 13.118 -3.083 1.00 0.00 N ATOM 621 CA PRO A 41 4.067 13.537 -2.408 1.00 0.00 C ATOM 622 C PRO A 41 2.885 13.634 -3.366 1.00 0.00 C ATOM 623 O PRO A 41 1.787 13.171 -3.060 1.00 0.00 O ATOM 624 CB PRO A 41 4.418 14.919 -1.852 1.00 0.00 C ATOM 625 CG PRO A 41 5.503 15.420 -2.741 1.00 0.00 C ATOM 626 CD PRO A 41 6.287 14.207 -3.162 1.00 0.00 C ATOM 0 HA PRO A 41 3.758 12.822 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.554 15.584 -1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.752 14.856 -0.816 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.090 15.938 -3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.139 16.133 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.685 14.316 -4.171 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.136 14.028 -2.502 1.00 0.00 H new ATOM 634 N GLU A 42 3.118 14.237 -4.528 1.00 0.00 N ATOM 635 CA GLU A 42 2.071 14.393 -5.531 1.00 0.00 C ATOM 636 C GLU A 42 1.538 13.035 -5.977 1.00 0.00 C ATOM 637 O GLU A 42 0.390 12.919 -6.408 1.00 0.00 O ATOM 638 CB GLU A 42 2.603 15.168 -6.740 1.00 0.00 C ATOM 639 CG GLU A 42 3.850 14.554 -7.354 1.00 0.00 C ATOM 640 CD GLU A 42 4.162 15.117 -8.726 1.00 0.00 C ATOM 641 OE1 GLU A 42 3.660 14.559 -9.724 1.00 0.00 O ATOM 642 OE2 GLU A 42 4.907 16.117 -8.803 1.00 0.00 O ATOM 0 H GLU A 42 4.022 14.625 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 42 1.252 14.954 -5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.823 15.221 -7.499 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.823 16.192 -6.437 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.699 14.727 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.720 13.474 -7.429 1.00 0.00 H new ATOM 649 N CYS A 43 2.379 12.013 -5.871 1.00 0.00 N ATOM 650 CA CYS A 43 1.993 10.662 -6.266 1.00 0.00 C ATOM 651 C CYS A 43 0.884 10.128 -5.365 1.00 0.00 C ATOM 652 O CYS A 43 -0.075 9.520 -5.838 1.00 0.00 O ATOM 653 CB CYS A 43 3.203 9.729 -6.213 1.00 0.00 C ATOM 654 SG CYS A 43 4.177 9.695 -7.735 1.00 0.00 S ATOM 0 H CYS A 43 3.332 12.093 -5.515 1.00 0.00 H new ATOM 0 HA CYS A 43 1.618 10.702 -7.289 1.00 0.00 H new ATOM 0 HB2 CYS A 43 3.848 10.034 -5.389 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.860 8.718 -5.992 1.00 0.00 H new ATOM 0 HG CYS A 43 5.179 8.879 -7.591 1.00 0.00 H new ATOM 660 N GLY A 44 1.022 10.361 -4.063 1.00 0.00 N ATOM 661 CA GLY A 44 0.026 9.896 -3.116 1.00 0.00 C ATOM 662 C GLY A 44 0.556 9.842 -1.697 1.00 0.00 C ATOM 663 O GLY A 44 1.761 9.944 -1.473 1.00 0.00 O ATOM 0 H GLY A 44 1.806 10.864 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.841 10.556 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.316 8.904 -3.411 1.00 0.00 H new ATOM 667 N ASN A 45 -0.348 9.681 -0.736 1.00 0.00 N ATOM 668 CA ASN A 45 0.035 9.616 0.670 1.00 0.00 C ATOM 669 C ASN A 45 -0.359 8.274 1.279 1.00 0.00 C ATOM 670 O ASN A 45 0.272 7.799 2.224 1.00 0.00 O ATOM 671 CB ASN A 45 -0.621 10.756 1.452 1.00 0.00 C ATOM 672 CG ASN A 45 -0.466 10.592 2.952 1.00 0.00 C ATOM 673 OD1 ASN A 45 0.622 10.770 3.498 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.559 10.249 3.625 1.00 0.00 N ATOM 0 H ASN A 45 -1.350 9.593 -0.905 1.00 0.00 H new ATOM 0 HA ASN A 45 1.118 9.719 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.180 11.704 1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.681 10.802 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.517 10.123 4.636 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.440 10.112 3.130 1.00 0.00 H new ATOM 681 N LEU A 46 -1.407 7.666 0.732 1.00 0.00 N ATOM 682 CA LEU A 46 -1.886 6.378 1.221 1.00 0.00 C ATOM 683 C LEU A 46 -1.206 5.229 0.484 1.00 0.00 C ATOM 684 O LEU A 46 -1.612 4.857 -0.618 1.00 0.00 O ATOM 685 CB LEU A 46 -3.403 6.279 1.054 1.00 0.00 C ATOM 686 CG LEU A 46 -3.994 4.869 1.108 1.00 0.00 C ATOM 687 CD1 LEU A 46 -4.192 4.429 2.550 1.00 0.00 C ATOM 688 CD2 LEU A 46 -5.309 4.813 0.347 1.00 0.00 C ATOM 0 H LEU A 46 -1.941 8.045 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.638 6.304 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.874 6.879 1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.673 6.728 0.098 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.293 4.183 0.633 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.613 3.424 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.232 4.430 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.873 5.117 3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.715 3.803 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.018 5.511 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.139 5.085 -0.695 1.00 0.00 H new ATOM 700 N LEU A 47 -0.169 4.670 1.098 1.00 0.00 N ATOM 701 CA LEU A 47 0.567 3.560 0.502 1.00 0.00 C ATOM 702 C LEU A 47 0.450 2.305 1.359 1.00 0.00 C ATOM 703 O LEU A 47 0.183 2.383 2.559 1.00 0.00 O ATOM 704 CB LEU A 47 2.039 3.936 0.325 1.00 0.00 C ATOM 705 CG LEU A 47 2.946 3.680 1.529 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.514 2.270 1.479 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.068 4.706 1.579 1.00 0.00 C ATOM 0 H LEU A 47 0.181 4.967 2.009 1.00 0.00 H new ATOM 0 HA LEU A 47 0.131 3.351 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.435 3.383 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.095 4.995 0.072 1.00 0.00 H new ATOM 0 HG LEU A 47 2.350 3.778 2.436 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.157 2.106 2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.697 1.548 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.095 2.144 0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.704 4.508 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.663 4.640 0.668 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.643 5.706 1.663 1.00 0.00 H new ATOM 719 N LEU A 48 0.653 1.149 0.737 1.00 0.00 N ATOM 720 CA LEU A 48 0.573 -0.124 1.445 1.00 0.00 C ATOM 721 C LEU A 48 1.896 -0.879 1.360 1.00 0.00 C ATOM 722 O LEU A 48 2.352 -1.232 0.271 1.00 0.00 O ATOM 723 CB LEU A 48 -0.554 -0.981 0.867 1.00 0.00 C ATOM 724 CG LEU A 48 -1.977 -0.507 1.163 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.347 0.665 0.267 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.968 -1.649 0.986 1.00 0.00 C ATOM 0 H LEU A 48 0.874 1.067 -0.255 1.00 0.00 H new ATOM 0 HA LEU A 48 0.362 0.084 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.427 -1.032 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.444 -1.996 1.249 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.019 -0.173 2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.363 0.989 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.656 1.490 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.287 0.358 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.976 -1.293 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.923 -2.014 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.716 -2.459 1.670 1.00 0.00 H new ATOM 738 N ARG A 49 2.506 -1.125 2.514 1.00 0.00 N ATOM 739 CA ARG A 49 3.777 -1.839 2.570 1.00 0.00 C ATOM 740 C ARG A 49 3.623 -3.163 3.313 1.00 0.00 C ATOM 741 O ARG A 49 2.818 -3.297 4.234 1.00 0.00 O ATOM 742 CB ARG A 49 4.840 -0.978 3.252 1.00 0.00 C ATOM 743 CG ARG A 49 4.558 -0.714 4.723 1.00 0.00 C ATOM 744 CD ARG A 49 5.800 -0.221 5.448 1.00 0.00 C ATOM 745 NE ARG A 49 6.730 -1.307 5.745 1.00 0.00 N ATOM 746 CZ ARG A 49 6.510 -2.227 6.679 1.00 0.00 C ATOM 747 NH1 ARG A 49 5.398 -2.192 7.400 1.00 0.00 N ATOM 748 NH2 ARG A 49 7.403 -3.185 6.890 1.00 0.00 N ATOM 0 H ARG A 49 2.141 -0.841 3.423 1.00 0.00 H new ATOM 0 HA ARG A 49 4.093 -2.050 1.548 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.808 -1.470 3.159 1.00 0.00 H new ATOM 0 HB3 ARG A 49 4.915 -0.025 2.728 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.763 0.027 4.815 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.198 -1.628 5.195 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.302 0.529 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 49 5.507 0.269 6.377 1.00 0.00 H new ATOM 0 HE ARG A 49 7.595 -1.363 5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.709 -1.458 7.239 1.00 0.00 H new ATOM 0 HH12 ARG A 49 5.232 -2.899 8.116 1.00 0.00 H new ATOM 0 HH21 ARG A 49 8.259 -3.216 6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.234 -3.891 7.607 1.00 0.00 H new ATOM 762 N PRO A 50 4.415 -4.166 2.905 1.00 0.00 N ATOM 763 CA PRO A 50 4.386 -5.498 3.518 1.00 0.00 C ATOM 764 C PRO A 50 4.955 -5.496 4.932 1.00 0.00 C ATOM 765 O PRO A 50 5.822 -4.688 5.263 1.00 0.00 O ATOM 766 CB PRO A 50 5.268 -6.335 2.588 1.00 0.00 C ATOM 767 CG PRO A 50 6.187 -5.351 1.949 1.00 0.00 C ATOM 768 CD PRO A 50 5.399 -4.078 1.812 1.00 0.00 C ATOM 0 HA PRO A 50 3.370 -5.878 3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.822 -7.092 3.143 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.671 -6.860 1.843 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.077 -5.195 2.558 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.525 -5.707 0.976 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.035 -3.199 1.914 1.00 0.00 H new ATOM 0 HD3 PRO A 50 4.913 -4.009 0.839 1.00 0.00 H new ATOM 776 N SER A 51 4.459 -6.406 5.765 1.00 0.00 N ATOM 777 CA SER A 51 4.915 -6.508 7.146 1.00 0.00 C ATOM 778 C SER A 51 5.874 -7.681 7.317 1.00 0.00 C ATOM 779 O SER A 51 5.466 -8.841 7.286 1.00 0.00 O ATOM 780 CB SER A 51 3.721 -6.668 8.089 1.00 0.00 C ATOM 781 OG SER A 51 4.140 -7.095 9.374 1.00 0.00 O ATOM 0 H SER A 51 3.741 -7.083 5.507 1.00 0.00 H new ATOM 0 HA SER A 51 5.446 -5.589 7.396 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.190 -5.720 8.173 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.019 -7.391 7.673 1.00 0.00 H new ATOM 0 HG SER A 51 3.359 -7.188 9.958 1.00 0.00 H new ATOM 787 N GLY A 52 7.154 -7.370 7.499 1.00 0.00 N ATOM 788 CA GLY A 52 8.152 -8.409 7.673 1.00 0.00 C ATOM 789 C GLY A 52 8.259 -9.319 6.464 1.00 0.00 C ATOM 790 O GLY A 52 8.248 -8.852 5.325 1.00 0.00 O ATOM 0 H GLY A 52 7.517 -6.417 7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.121 -7.949 7.865 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.903 -9.005 8.551 1.00 0.00 H new ATOM 794 N ASP A 53 8.363 -10.620 6.713 1.00 0.00 N ATOM 795 CA ASP A 53 8.473 -11.597 5.636 1.00 0.00 C ATOM 796 C ASP A 53 7.391 -12.665 5.758 1.00 0.00 C ATOM 797 O ASP A 53 6.637 -12.910 4.817 1.00 0.00 O ATOM 798 CB ASP A 53 9.856 -12.251 5.650 1.00 0.00 C ATOM 799 CG ASP A 53 9.904 -13.522 4.826 1.00 0.00 C ATOM 800 OD1 ASP A 53 9.103 -13.643 3.876 1.00 0.00 O ATOM 801 OD2 ASP A 53 10.743 -14.395 5.130 1.00 0.00 O ATOM 0 H ASP A 53 8.373 -11.022 7.650 1.00 0.00 H new ATOM 0 HA ASP A 53 8.337 -11.074 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.592 -11.545 5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.137 -12.477 6.678 1.00 0.00 H new ATOM 806 N GLY A 54 7.319 -13.297 6.925 1.00 0.00 N ATOM 807 CA GLY A 54 6.327 -14.332 7.149 1.00 0.00 C ATOM 808 C GLY A 54 5.227 -13.886 8.093 1.00 0.00 C ATOM 809 O GLY A 54 5.213 -14.266 9.262 1.00 0.00 O ATOM 0 H GLY A 54 7.930 -13.111 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.887 -14.622 6.195 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.815 -15.217 7.557 1.00 0.00 H new ATOM 813 N ALA A 55 4.306 -13.076 7.583 1.00 0.00 N ATOM 814 CA ALA A 55 3.197 -12.577 8.388 1.00 0.00 C ATOM 815 C ALA A 55 1.888 -12.622 7.609 1.00 0.00 C ATOM 816 O ALA A 55 1.888 -12.759 6.385 1.00 0.00 O ATOM 817 CB ALA A 55 3.484 -11.161 8.862 1.00 0.00 C ATOM 0 H ALA A 55 4.305 -12.751 6.616 1.00 0.00 H new ATOM 0 HA ALA A 55 3.093 -13.225 9.258 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.648 -10.802 9.462 1.00 0.00 H new ATOM 0 HB2 ALA A 55 4.392 -11.156 9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.619 -10.509 7.999 1.00 0.00 H new ATOM 823 N ASP A 56 0.775 -12.506 8.323 1.00 0.00 N ATOM 824 CA ASP A 56 -0.543 -12.533 7.697 1.00 0.00 C ATOM 825 C ASP A 56 -1.157 -11.138 7.666 1.00 0.00 C ATOM 826 O ASP A 56 -1.881 -10.747 8.582 1.00 0.00 O ATOM 827 CB ASP A 56 -1.466 -13.495 8.444 1.00 0.00 C ATOM 828 CG ASP A 56 -1.080 -14.947 8.238 1.00 0.00 C ATOM 829 OD1 ASP A 56 0.111 -15.276 8.422 1.00 0.00 O ATOM 830 OD2 ASP A 56 -1.968 -15.754 7.894 1.00 0.00 O ATOM 0 H ASP A 56 0.758 -12.392 9.336 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.425 -12.881 6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.442 -13.263 9.509 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.492 -13.344 8.108 1.00 0.00 H new ATOM 835 N GLY A 57 -0.865 -10.389 6.607 1.00 0.00 N ATOM 836 CA GLY A 57 -1.397 -9.045 6.478 1.00 0.00 C ATOM 837 C GLY A 57 -0.308 -8.005 6.305 1.00 0.00 C ATOM 838 O GLY A 57 0.791 -8.150 6.841 1.00 0.00 O ATOM 0 H GLY A 57 -0.269 -10.689 5.836 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.072 -9.005 5.623 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.987 -8.805 7.362 1.00 0.00 H new ATOM 842 N VAL A 58 -0.610 -6.953 5.552 1.00 0.00 N ATOM 843 CA VAL A 58 0.351 -5.884 5.309 1.00 0.00 C ATOM 844 C VAL A 58 0.039 -4.660 6.161 1.00 0.00 C ATOM 845 O VAL A 58 -1.012 -4.584 6.798 1.00 0.00 O ATOM 846 CB VAL A 58 0.369 -5.471 3.825 1.00 0.00 C ATOM 847 CG1 VAL A 58 0.754 -6.653 2.947 1.00 0.00 C ATOM 848 CG2 VAL A 58 -0.983 -4.909 3.412 1.00 0.00 C ATOM 0 H VAL A 58 -1.514 -6.818 5.099 1.00 0.00 H new ATOM 0 HA VAL A 58 1.332 -6.273 5.582 1.00 0.00 H new ATOM 0 HB VAL A 58 1.118 -4.690 3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.762 -6.343 1.902 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.746 -7.007 3.228 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.030 -7.457 3.082 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.952 -4.622 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.752 -5.667 3.559 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.215 -4.034 4.020 1.00 0.00 H new ATOM 858 N SER A 59 0.959 -3.700 6.169 1.00 0.00 N ATOM 859 CA SER A 59 0.784 -2.478 6.946 1.00 0.00 C ATOM 860 C SER A 59 0.614 -1.271 6.029 1.00 0.00 C ATOM 861 O SER A 59 1.295 -1.149 5.011 1.00 0.00 O ATOM 862 CB SER A 59 1.981 -2.264 7.874 1.00 0.00 C ATOM 863 OG SER A 59 1.674 -1.330 8.894 1.00 0.00 O ATOM 0 H SER A 59 1.833 -3.745 5.646 1.00 0.00 H new ATOM 0 HA SER A 59 -0.119 -2.585 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.272 -3.214 8.322 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.834 -1.909 7.296 1.00 0.00 H new ATOM 0 HG SER A 59 2.454 -1.212 9.475 1.00 0.00 H new ATOM 869 N VAL A 60 -0.299 -0.380 6.399 1.00 0.00 N ATOM 870 CA VAL A 60 -0.559 0.820 5.611 1.00 0.00 C ATOM 871 C VAL A 60 0.152 2.032 6.204 1.00 0.00 C ATOM 872 O VAL A 60 0.033 2.313 7.397 1.00 0.00 O ATOM 873 CB VAL A 60 -2.068 1.117 5.522 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.320 2.354 4.674 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.815 -0.085 4.964 1.00 0.00 C ATOM 0 H VAL A 60 -0.871 -0.465 7.239 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.174 0.630 4.609 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.442 1.314 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.391 2.548 4.623 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.817 3.211 5.122 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.932 2.191 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.880 0.142 4.908 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.440 -0.316 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.661 -0.944 5.617 1.00 0.00 H new ATOM 885 N THR A 61 0.891 2.747 5.363 1.00 0.00 N ATOM 886 CA THR A 61 1.623 3.929 5.803 1.00 0.00 C ATOM 887 C THR A 61 1.014 5.199 5.223 1.00 0.00 C ATOM 888 O THR A 61 1.180 5.497 4.039 1.00 0.00 O ATOM 889 CB THR A 61 3.108 3.853 5.398 1.00 0.00 C ATOM 890 OG1 THR A 61 3.695 2.655 5.916 1.00 0.00 O ATOM 891 CG2 THR A 61 3.870 5.063 5.915 1.00 0.00 C ATOM 0 H THR A 61 0.999 2.529 4.373 1.00 0.00 H new ATOM 0 HA THR A 61 1.552 3.959 6.890 1.00 0.00 H new ATOM 0 HB THR A 61 3.167 3.844 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.638 2.613 5.653 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.916 4.989 5.618 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.437 5.972 5.496 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.804 5.097 7.002 1.00 0.00 H new ATOM 899 N THR A 62 0.308 5.949 6.065 1.00 0.00 N ATOM 900 CA THR A 62 -0.327 7.189 5.635 1.00 0.00 C ATOM 901 C THR A 62 0.211 8.382 6.418 1.00 0.00 C ATOM 902 O THR A 62 0.402 8.303 7.632 1.00 0.00 O ATOM 903 CB THR A 62 -1.857 7.124 5.805 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.197 7.149 7.195 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.421 5.867 5.161 1.00 0.00 C ATOM 0 H THR A 62 0.162 5.719 7.048 1.00 0.00 H new ATOM 0 HA THR A 62 -0.092 7.316 4.578 1.00 0.00 H new ATOM 0 HB THR A 62 -2.292 7.992 5.310 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.204 8.076 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.503 5.844 5.294 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.186 5.867 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.979 4.988 5.630 1.00 0.00 H new ATOM 913 N ARG A 63 0.452 9.484 5.717 1.00 0.00 N ATOM 914 CA ARG A 63 0.968 10.693 6.347 1.00 0.00 C ATOM 915 C ARG A 63 0.041 11.878 6.090 1.00 0.00 C ATOM 916 O ARG A 63 0.129 12.533 5.053 1.00 0.00 O ATOM 917 CB ARG A 63 2.371 11.008 5.825 1.00 0.00 C ATOM 918 CG ARG A 63 3.144 11.978 6.703 1.00 0.00 C ATOM 919 CD ARG A 63 2.802 13.422 6.371 1.00 0.00 C ATOM 920 NE ARG A 63 3.152 13.766 4.997 1.00 0.00 N ATOM 921 CZ ARG A 63 2.636 14.801 4.344 1.00 0.00 C ATOM 922 NH1 ARG A 63 1.751 15.590 4.939 1.00 0.00 N ATOM 923 NH2 ARG A 63 3.004 15.050 3.093 1.00 0.00 N ATOM 0 H ARG A 63 0.298 9.565 4.712 1.00 0.00 H new ATOM 0 HA ARG A 63 1.018 10.519 7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.935 10.079 5.740 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.291 11.425 4.821 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.919 11.781 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 63 4.214 11.817 6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.736 13.586 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.329 14.086 7.056 1.00 0.00 H new ATOM 0 HE ARG A 63 3.830 13.179 4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.465 15.402 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.356 16.384 4.435 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.684 14.446 2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.607 15.845 2.593 1.00 0.00 H new ATOM 937 N GLN A 64 -0.847 12.145 7.043 1.00 0.00 N ATOM 938 CA GLN A 64 -1.791 13.249 6.919 1.00 0.00 C ATOM 939 C GLN A 64 -1.291 14.479 7.671 1.00 0.00 C ATOM 940 O GLN A 64 -0.731 14.366 8.761 1.00 0.00 O ATOM 941 CB GLN A 64 -3.165 12.836 7.449 1.00 0.00 C ATOM 942 CG GLN A 64 -3.736 11.605 6.765 1.00 0.00 C ATOM 943 CD GLN A 64 -3.229 10.312 7.373 1.00 0.00 C ATOM 944 OE1 GLN A 64 -2.183 9.795 6.978 1.00 0.00 O ATOM 945 NE2 GLN A 64 -3.970 9.782 8.339 1.00 0.00 N ATOM 0 H GLN A 64 -0.932 11.612 7.909 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.879 13.502 5.862 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -3.090 12.645 8.519 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.859 13.667 7.322 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.824 11.630 6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.478 11.630 5.706 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.830 10.245 8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.680 8.912 8.785 1.00 0.00 H new ATOM 954 N MET A 65 -1.498 15.652 7.082 1.00 0.00 N ATOM 955 CA MET A 65 -1.069 16.902 7.697 1.00 0.00 C ATOM 956 C MET A 65 -1.970 17.267 8.873 1.00 0.00 C ATOM 957 O MET A 65 -3.053 17.822 8.688 1.00 0.00 O ATOM 958 CB MET A 65 -1.076 18.032 6.665 1.00 0.00 C ATOM 959 CG MET A 65 -0.112 19.160 6.993 1.00 0.00 C ATOM 960 SD MET A 65 1.599 18.748 6.601 1.00 0.00 S ATOM 961 CE MET A 65 2.446 19.427 8.026 1.00 0.00 C ATOM 0 H MET A 65 -1.960 15.763 6.180 1.00 0.00 H new ATOM 0 HA MET A 65 -0.054 16.765 8.069 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.823 17.622 5.687 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.085 18.438 6.589 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.402 20.053 6.440 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.190 19.402 8.053 1.00 0.00 H new ATOM 0 HE1 MET A 65 3.517 19.251 7.931 1.00 0.00 H new ATOM 0 HE2 MET A 65 2.258 20.499 8.084 1.00 0.00 H new ATOM 0 HE3 MET A 65 2.078 18.945 8.932 1.00 0.00 H new ATOM 971 N HIS A 66 -1.516 16.950 10.081 1.00 0.00 N ATOM 972 CA HIS A 66 -2.281 17.245 11.287 1.00 0.00 C ATOM 973 C HIS A 66 -1.485 18.141 12.231 1.00 0.00 C ATOM 974 O HIS A 66 -0.269 18.000 12.356 1.00 0.00 O ATOM 975 CB HIS A 66 -2.669 15.949 12.000 1.00 0.00 C ATOM 976 CG HIS A 66 -3.956 15.359 11.511 1.00 0.00 C ATOM 977 ND1 HIS A 66 -4.835 14.686 12.333 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.511 15.344 10.277 1.00 0.00 C ATOM 979 CE1 HIS A 66 -5.875 14.281 11.625 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.703 14.669 10.374 1.00 0.00 N ATOM 0 H HIS A 66 -0.622 16.489 10.251 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.187 17.774 10.992 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.871 15.219 11.868 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -2.751 16.143 13.070 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -4.094 15.782 9.382 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.721 13.727 12.004 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.350 14.495 9.605 1.00 0.00 H new ATOM 989 N ASN A 67 -2.178 19.060 12.893 1.00 0.00 N ATOM 990 CA ASN A 67 -1.535 19.980 13.825 1.00 0.00 C ATOM 991 C ASN A 67 -0.257 20.556 13.224 1.00 0.00 C ATOM 992 O ASN A 67 0.680 20.899 13.945 1.00 0.00 O ATOM 993 CB ASN A 67 -1.217 19.265 15.140 1.00 0.00 C ATOM 994 CG ASN A 67 -0.794 20.228 16.232 1.00 0.00 C ATOM 995 OD1 ASN A 67 -0.658 21.428 15.999 1.00 0.00 O ATOM 996 ND2 ASN A 67 -0.583 19.703 17.434 1.00 0.00 N ATOM 0 H ASN A 67 -3.186 19.188 12.802 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.224 20.801 14.023 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.094 18.708 15.470 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.423 18.538 14.972 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.296 20.301 18.209 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.708 18.702 17.582 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.227 20.660 11.900 1.00 0.00 N ATOM 1004 CA GLY A 68 0.941 21.197 11.224 1.00 0.00 C ATOM 1005 C GLY A 68 2.213 20.460 11.594 1.00 0.00 C ATOM 1006 O GLY A 68 3.279 21.068 11.716 1.00 0.00 O ATOM 0 H GLY A 68 -0.990 20.382 11.282 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.792 21.140 10.146 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.050 22.252 11.475 1.00 0.00 H new ATOM 1010 N THR A 69 2.105 19.148 11.773 1.00 0.00 N ATOM 1011 CA THR A 69 3.255 18.328 12.133 1.00 0.00 C ATOM 1012 C THR A 69 3.240 17.001 11.385 1.00 0.00 C ATOM 1013 O THR A 69 2.203 16.344 11.282 1.00 0.00 O ATOM 1014 CB THR A 69 3.294 18.050 13.648 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.601 17.612 14.032 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.267 16.994 14.030 1.00 0.00 C ATOM 0 H THR A 69 1.232 18.630 11.675 1.00 0.00 H new ATOM 0 HA THR A 69 4.145 18.891 11.851 1.00 0.00 H new ATOM 0 HB THR A 69 3.053 18.975 14.172 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.618 17.439 14.996 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.313 16.814 15.104 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.270 17.343 13.763 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.482 16.068 13.497 1.00 0.00 H new ATOM 1024 N HIS A 70 4.397 16.608 10.862 1.00 0.00 N ATOM 1025 CA HIS A 70 4.518 15.357 10.123 1.00 0.00 C ATOM 1026 C HIS A 70 4.210 14.163 11.023 1.00 0.00 C ATOM 1027 O HIS A 70 4.887 13.939 12.026 1.00 0.00 O ATOM 1028 CB HIS A 70 5.922 15.219 9.535 1.00 0.00 C ATOM 1029 CG HIS A 70 7.002 15.159 10.572 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.395 16.068 11.494 1.00 0.00 N flip ATOM 1031 CD2 HIS A 70 7.822 14.063 10.742 1.00 0.00 C flip ATOM 1032 CE1 HIS A 70 8.434 15.509 12.199 1.00 0.00 C flip ATOM 1033 NE2 HIS A 70 8.672 14.299 11.725 1.00 0.00 N flip ATOM 0 H HIS A 70 5.265 17.139 10.937 1.00 0.00 H new ATOM 0 HA HIS A 70 3.793 15.373 9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.965 14.317 8.925 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.114 16.062 8.871 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.776 13.153 10.162 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.969 15.982 13.009 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.390 13.657 12.061 1.00 0.00 H new ATOM 1042 N VAL A 71 3.186 13.400 10.656 1.00 0.00 N ATOM 1043 CA VAL A 71 2.789 12.229 11.429 1.00 0.00 C ATOM 1044 C VAL A 71 2.503 11.040 10.519 1.00 0.00 C ATOM 1045 O VAL A 71 1.779 11.161 9.530 1.00 0.00 O ATOM 1046 CB VAL A 71 1.542 12.518 12.285 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.194 11.312 13.146 1.00 0.00 C ATOM 1048 CG2 VAL A 71 1.761 13.752 13.146 1.00 0.00 C ATOM 0 H VAL A 71 2.616 13.572 9.828 1.00 0.00 H new ATOM 0 HA VAL A 71 3.624 11.986 12.087 1.00 0.00 H new ATOM 0 HB VAL A 71 0.702 12.713 11.618 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.310 11.535 13.744 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.992 10.454 12.505 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.030 11.083 13.806 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.870 13.941 13.744 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.613 13.589 13.806 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.958 14.612 12.506 1.00 0.00 H new ATOM 1058 N VAL A 72 3.076 9.889 10.858 1.00 0.00 N ATOM 1059 CA VAL A 72 2.881 8.677 10.072 1.00 0.00 C ATOM 1060 C VAL A 72 2.141 7.614 10.876 1.00 0.00 C ATOM 1061 O VAL A 72 2.651 7.112 11.878 1.00 0.00 O ATOM 1062 CB VAL A 72 4.225 8.099 9.592 1.00 0.00 C ATOM 1063 CG1 VAL A 72 3.998 6.856 8.743 1.00 0.00 C ATOM 1064 CG2 VAL A 72 5.010 9.147 8.818 1.00 0.00 C ATOM 0 H VAL A 72 3.679 9.771 11.672 1.00 0.00 H new ATOM 0 HA VAL A 72 2.282 8.954 9.205 1.00 0.00 H new ATOM 0 HB VAL A 72 4.810 7.812 10.466 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.959 6.461 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.479 6.101 9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.393 7.115 7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.957 8.721 8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.433 9.467 7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.204 10.005 9.461 1.00 0.00 H new ATOM 1074 N ARG A 73 0.936 7.275 10.430 1.00 0.00 N ATOM 1075 CA ARG A 73 0.125 6.271 11.109 1.00 0.00 C ATOM 1076 C ARG A 73 0.227 4.922 10.403 1.00 0.00 C ATOM 1077 O ARG A 73 0.148 4.844 9.176 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.337 6.719 11.166 1.00 0.00 C ATOM 1079 CG ARG A 73 -2.167 5.960 12.187 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.123 6.630 13.551 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.101 6.060 14.474 1.00 0.00 N ATOM 1082 CZ ARG A 73 -2.979 4.856 15.023 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -1.926 4.101 14.743 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.911 4.406 15.852 1.00 0.00 N ATOM 0 H ARG A 73 0.500 7.680 9.602 1.00 0.00 H new ATOM 0 HA ARG A 73 0.504 6.160 12.125 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.373 7.783 11.400 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.785 6.594 10.180 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.200 5.898 11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.797 4.938 12.271 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.123 6.527 13.973 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.312 7.697 13.437 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.923 6.617 14.710 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -1.208 4.444 14.105 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -1.834 3.177 15.165 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.723 4.984 16.069 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.816 3.482 16.273 1.00 0.00 H new ATOM 1098 N HIS A 74 0.402 3.862 11.185 1.00 0.00 N ATOM 1099 CA HIS A 74 0.514 2.516 10.635 1.00 0.00 C ATOM 1100 C HIS A 74 -0.708 1.678 10.997 1.00 0.00 C ATOM 1101 O HIS A 74 -1.108 1.613 12.160 1.00 0.00 O ATOM 1102 CB HIS A 74 1.783 1.836 11.151 1.00 0.00 C ATOM 1103 CG HIS A 74 1.828 1.702 12.642 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.909 2.641 13.613 1.00 0.00 N flip ATOM 1105 CD2 HIS A 74 1.790 0.485 13.289 1.00 0.00 C flip ATOM 1106 CE1 HIS A 74 1.917 1.981 14.818 1.00 0.00 C flip ATOM 1107 NE2 HIS A 74 1.844 0.681 14.595 1.00 0.00 N flip ATOM 0 H HIS A 74 0.469 3.909 12.202 1.00 0.00 H new ATOM 0 HA HIS A 74 0.569 2.597 9.549 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.862 0.845 10.703 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.651 2.406 10.819 1.00 0.00 H new ATOM 0 HD2 HIS A 74 1.726 -0.478 12.804 1.00 0.00 H new ATOM 0 HE1 HIS A 74 1.974 2.449 15.790 1.00 0.00 H new ATOM 0 HE2 HIS A 74 1.831 -0.047 15.309 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.299 1.039 9.993 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.478 0.208 10.205 1.00 0.00 C ATOM 1118 C TYR A 75 -2.178 -1.254 9.886 1.00 0.00 C ATOM 1119 O TYR A 75 -1.698 -1.580 8.800 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.638 0.702 9.339 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.267 1.982 9.843 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -5.076 1.982 10.974 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -4.053 3.189 9.191 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -5.653 3.149 11.438 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.625 4.360 9.648 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.424 4.335 10.772 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.996 5.499 11.231 1.00 0.00 O ATOM 0 H TYR A 75 -0.981 1.081 9.025 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.760 0.282 11.255 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.280 0.859 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.402 -0.074 9.292 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.256 1.055 11.498 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.428 3.213 8.311 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.280 3.132 12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.448 5.290 9.128 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.734 6.243 10.650 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.466 -2.132 10.841 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.231 -3.559 10.664 1.00 0.00 C ATOM 1139 C LYS A 76 -3.481 -4.257 10.138 1.00 0.00 C ATOM 1140 O LYS A 76 -4.579 -4.064 10.661 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.800 -4.195 11.988 1.00 0.00 C ATOM 1142 CG LYS A 76 -1.411 -5.657 11.864 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.061 -5.819 11.185 1.00 0.00 C ATOM 1144 CE LYS A 76 0.658 -7.071 11.666 1.00 0.00 C ATOM 1145 NZ LYS A 76 0.018 -8.312 11.149 1.00 0.00 N ATOM 0 H LYS A 76 -2.863 -1.879 11.746 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.433 -3.680 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.955 -3.636 12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.615 -4.104 12.707 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.378 -6.111 12.854 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.172 -6.190 11.294 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.199 -5.870 10.105 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.556 -4.943 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.699 -7.038 11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 76 0.662 -7.091 12.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.537 -9.142 11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.968 -8.357 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.037 -8.305 10.109 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.308 -5.068 9.099 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.423 -5.796 8.503 1.00 0.00 C ATOM 1161 C VAL A 77 -4.523 -7.208 9.069 1.00 0.00 C ATOM 1162 O VAL A 77 -3.623 -8.028 8.885 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.286 -5.877 6.971 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.442 -6.662 6.373 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.208 -4.483 6.369 1.00 0.00 C ATOM 0 H VAL A 77 -2.407 -5.238 8.652 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.330 -5.244 8.750 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.361 -6.402 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.328 -6.709 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.445 -7.673 6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.382 -6.168 6.618 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.111 -4.559 5.286 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.114 -3.929 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.342 -3.960 6.774 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.623 -7.486 9.761 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.844 -8.800 10.353 1.00 0.00 C ATOM 1177 C LYS A 78 -5.939 -9.874 9.275 1.00 0.00 C ATOM 1178 O LYS A 78 -5.833 -9.582 8.084 1.00 0.00 O ATOM 1179 CB LYS A 78 -7.121 -8.794 11.196 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.901 -8.343 12.631 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.355 -9.469 13.492 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.472 -10.341 14.044 1.00 0.00 C ATOM 1183 NZ LYS A 78 -7.038 -11.102 15.248 1.00 0.00 N ATOM 0 H LYS A 78 -6.376 -6.818 9.926 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.993 -9.029 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.854 -8.138 10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.548 -9.797 11.201 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.207 -7.503 12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.842 -7.987 13.050 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.672 -10.081 12.902 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.777 -9.051 14.316 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.328 -9.716 14.298 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.803 -11.038 13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.827 -11.684 15.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.237 -11.717 15.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.746 -10.437 15.992 1.00 0.00 H new ATOM 1197 N ARG A 79 -6.139 -11.117 9.700 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.249 -12.235 8.770 1.00 0.00 C ATOM 1199 C ARG A 79 -7.301 -13.234 9.244 1.00 0.00 C ATOM 1200 O ARG A 79 -7.081 -13.975 10.200 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.897 -12.935 8.621 1.00 0.00 C ATOM 1202 CG ARG A 79 -4.939 -14.151 7.710 1.00 0.00 C ATOM 1203 CD ARG A 79 -5.207 -13.757 6.266 1.00 0.00 C ATOM 1204 NE ARG A 79 -4.775 -14.790 5.328 1.00 0.00 N ATOM 1205 CZ ARG A 79 -5.430 -15.930 5.136 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -6.541 -16.182 5.814 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -4.974 -16.821 4.265 1.00 0.00 N ATOM 0 H ARG A 79 -6.228 -11.376 10.683 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.556 -11.842 7.801 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.170 -12.223 8.230 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.545 -13.241 9.606 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.992 -14.686 7.772 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.715 -14.836 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.272 -13.569 6.133 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.689 -12.825 6.042 1.00 0.00 H new ATOM 0 HE ARG A 79 -3.923 -14.627 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.895 -15.500 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.042 -17.058 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.119 -16.631 3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -5.478 -17.696 4.119 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.444 -13.246 8.565 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.531 -14.153 8.916 1.00 0.00 C ATOM 1223 C GLU A 80 -10.260 -14.639 7.667 1.00 0.00 C ATOM 1224 O GLU A 80 -10.903 -13.858 6.967 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.517 -13.461 9.859 1.00 0.00 C ATOM 1226 CG GLU A 80 -11.766 -14.280 10.142 1.00 0.00 C ATOM 1227 CD GLU A 80 -12.530 -13.779 11.352 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -12.096 -14.063 12.487 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -13.563 -13.103 11.163 1.00 0.00 O ATOM 0 H GLU A 80 -8.641 -12.639 7.770 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.100 -15.017 9.422 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.014 -13.244 10.801 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.810 -12.505 9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.418 -14.255 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.485 -15.321 10.300 1.00 0.00 H new ATOM 1236 N GLY A 81 -10.154 -15.936 7.394 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.806 -16.504 6.229 1.00 0.00 C ATOM 1238 C GLY A 81 -10.385 -15.827 4.940 1.00 0.00 C ATOM 1239 O GLY A 81 -9.343 -15.176 4.868 1.00 0.00 O ATOM 0 H GLY A 81 -9.628 -16.603 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.574 -17.567 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.887 -16.419 6.344 1.00 0.00 H new ATOM 1243 N PRO A 82 -11.207 -15.979 3.891 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.934 -15.386 2.579 1.00 0.00 C ATOM 1245 C PRO A 82 -11.071 -13.866 2.590 1.00 0.00 C ATOM 1246 O PRO A 82 -10.920 -13.211 1.559 1.00 0.00 O ATOM 1247 CB PRO A 82 -12.001 -16.012 1.677 1.00 0.00 C ATOM 1248 CG PRO A 82 -13.115 -16.370 2.600 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.466 -16.742 3.905 1.00 0.00 C ATOM 0 HA PRO A 82 -9.913 -15.577 2.250 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.332 -15.311 0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.617 -16.892 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.800 -15.532 2.729 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.699 -17.201 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -13.091 -16.470 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.285 -17.815 3.972 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.357 -13.313 3.763 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.513 -11.870 3.910 1.00 0.00 C ATOM 1259 C LYS A 83 -10.543 -11.321 4.952 1.00 0.00 C ATOM 1260 O LYS A 83 -9.904 -12.082 5.680 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.950 -11.528 4.306 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.532 -12.466 5.350 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.051 -12.115 6.747 1.00 0.00 C ATOM 1264 CE LYS A 83 -13.787 -10.904 7.301 1.00 0.00 C ATOM 1265 NZ LYS A 83 -15.195 -11.227 7.661 1.00 0.00 N ATOM 0 H LYS A 83 -11.486 -13.841 4.626 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.288 -11.407 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.980 -10.508 4.689 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.579 -11.553 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -14.620 -12.418 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -13.251 -13.493 5.115 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.200 -12.968 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -11.980 -11.913 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.263 -10.532 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.776 -10.103 6.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.500 -10.620 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.810 -11.062 6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.260 -12.225 7.947 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.440 -9.999 5.020 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.547 -9.350 5.972 1.00 0.00 C ATOM 1281 C TYR A 84 -10.328 -8.447 6.923 1.00 0.00 C ATOM 1282 O TYR A 84 -11.532 -8.248 6.759 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.485 -8.533 5.234 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.671 -9.345 4.252 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.111 -10.562 4.623 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.462 -8.896 2.954 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.366 -11.307 3.729 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -6.719 -9.635 2.054 1.00 0.00 C ATOM 1289 CZ TYR A 84 -6.174 -10.839 2.445 1.00 0.00 C ATOM 1290 OH TYR A 84 -5.432 -11.578 1.552 1.00 0.00 O ATOM 0 H TYR A 84 -10.964 -9.355 4.427 1.00 0.00 H new ATOM 0 HA TYR A 84 -9.056 -10.127 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.972 -7.716 4.701 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.813 -8.082 5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.261 -10.931 5.627 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.888 -7.953 2.643 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -5.936 -12.250 4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.566 -9.271 1.049 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.393 -11.109 0.692 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.634 -7.905 7.918 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.261 -7.022 8.895 1.00 0.00 C ATOM 1302 C VAL A 85 -9.326 -5.882 9.284 1.00 0.00 C ATOM 1303 O VAL A 85 -8.160 -6.106 9.608 1.00 0.00 O ATOM 1304 CB VAL A 85 -10.671 -7.792 10.164 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -10.978 -6.826 11.299 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -11.866 -8.689 9.879 1.00 0.00 C ATOM 0 H VAL A 85 -8.637 -8.062 8.069 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.154 -6.611 8.424 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.837 -8.423 10.471 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.266 -7.388 12.187 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -10.093 -6.229 11.518 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.796 -6.168 11.005 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.143 -9.226 10.786 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -12.707 -8.080 9.547 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.606 -9.405 9.099 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.847 -4.660 9.252 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.059 -3.485 9.603 1.00 0.00 C ATOM 1318 C ILE A 86 -8.885 -3.372 11.114 1.00 0.00 C ATOM 1319 O ILE A 86 -9.701 -3.881 11.883 1.00 0.00 O ATOM 1320 CB ILE A 86 -9.709 -2.193 9.075 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.892 -2.271 7.558 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.866 -0.984 9.450 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.515 -1.030 6.958 1.00 0.00 C ATOM 0 H ILE A 86 -10.811 -4.458 8.987 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.082 -3.608 9.135 1.00 0.00 H new ATOM 0 HB ILE A 86 -10.691 -2.084 9.536 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.922 -2.442 7.092 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.516 -3.132 7.320 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.339 -0.079 9.070 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.782 -0.921 10.535 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.872 -1.084 9.015 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -10.614 -1.157 5.880 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.500 -0.869 7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -9.881 -0.168 7.165 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.817 -2.701 11.532 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.536 -2.518 12.951 1.00 0.00 C ATOM 1337 C ASP A 87 -8.198 -1.248 13.476 1.00 0.00 C ATOM 1338 O ASP A 87 -7.587 -0.478 14.218 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.028 -2.459 13.190 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.636 -2.992 14.555 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.959 -4.161 14.850 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -5.009 -2.238 15.329 1.00 0.00 O ATOM 0 H ASP A 87 -7.132 -2.275 10.908 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.948 -3.370 13.491 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.518 -3.035 12.418 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.688 -1.428 13.095 1.00 0.00 H new ATOM 1347 N VAL A 88 -9.450 -1.034 13.086 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.195 0.143 13.518 1.00 0.00 C ATOM 1349 C VAL A 88 -11.329 -0.240 14.463 1.00 0.00 C ATOM 1350 O VAL A 88 -11.520 -1.415 14.773 1.00 0.00 O ATOM 1351 CB VAL A 88 -10.780 0.909 12.316 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -9.668 1.538 11.491 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -11.633 -0.016 11.460 1.00 0.00 C ATOM 0 H VAL A 88 -9.970 -1.660 12.472 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.491 0.788 14.043 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.417 1.709 12.692 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.100 2.075 10.647 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.103 2.233 12.112 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.002 0.757 11.122 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.039 0.541 10.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.020 -0.839 11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -12.452 -0.414 12.059 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.078 0.761 14.916 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.192 0.527 15.827 1.00 0.00 C ATOM 1365 C GLU A 89 -13.973 -0.720 15.424 1.00 0.00 C ATOM 1366 O GLU A 89 -14.009 -1.706 16.160 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.124 1.740 15.847 1.00 0.00 C ATOM 1368 CG GLU A 89 -13.453 3.017 16.325 1.00 0.00 C ATOM 1369 CD GLU A 89 -14.417 3.961 17.016 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -15.291 4.527 16.326 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -14.298 4.133 18.247 1.00 0.00 O ATOM 0 H GLU A 89 -11.934 1.740 14.667 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.785 0.372 16.826 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.518 1.901 14.844 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -14.975 1.523 16.493 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.645 2.763 17.011 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.000 3.525 15.474 1.00 0.00 H new ATOM 1378 N GLN A 90 -14.595 -0.669 14.251 1.00 0.00 N ATOM 1379 CA GLN A 90 -15.376 -1.794 13.750 1.00 0.00 C ATOM 1380 C GLN A 90 -14.555 -2.638 12.781 1.00 0.00 C ATOM 1381 O GLN A 90 -13.890 -2.124 11.881 1.00 0.00 O ATOM 1382 CB GLN A 90 -16.646 -1.295 13.060 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.492 -0.380 13.930 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.517 0.402 13.132 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -19.241 -0.161 12.310 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.583 1.706 13.370 1.00 0.00 N ATOM 0 H GLN A 90 -14.573 0.139 13.629 1.00 0.00 H new ATOM 0 HA GLN A 90 -15.654 -2.417 14.600 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -16.370 -0.763 12.149 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.247 -2.153 12.758 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -18.003 -0.975 14.686 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.841 0.316 14.459 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -17.963 2.130 14.060 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.253 2.284 12.863 1.00 0.00 H new ATOM 1395 N PRO A 91 -14.599 -3.966 12.968 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.865 -4.910 12.120 1.00 0.00 C ATOM 1397 C PRO A 91 -14.439 -4.990 10.710 1.00 0.00 C ATOM 1398 O PRO A 91 -15.199 -5.904 10.390 1.00 0.00 O ATOM 1399 CB PRO A 91 -14.037 -6.246 12.846 1.00 0.00 C ATOM 1400 CG PRO A 91 -15.300 -6.097 13.622 1.00 0.00 C ATOM 1401 CD PRO A 91 -15.370 -4.648 14.022 1.00 0.00 C ATOM 0 HA PRO A 91 -12.825 -4.614 11.985 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -14.102 -7.074 12.140 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -13.191 -6.451 13.502 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -16.164 -6.378 13.020 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.298 -6.745 14.499 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -16.399 -4.291 14.062 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.937 -4.482 15.008 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.071 -4.029 9.869 1.00 0.00 N ATOM 1410 CA PHE A 92 -14.551 -3.991 8.493 1.00 0.00 C ATOM 1411 C PHE A 92 -14.027 -5.186 7.702 1.00 0.00 C ATOM 1412 O PHE A 92 -12.820 -5.417 7.631 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.119 -2.688 7.816 1.00 0.00 C ATOM 1414 CG PHE A 92 -14.230 -2.726 6.319 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -15.469 -2.773 5.703 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -13.092 -2.716 5.527 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -15.574 -2.808 4.325 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -13.190 -2.750 4.149 1.00 0.00 C ATOM 1419 CZ PHE A 92 -14.433 -2.797 3.548 1.00 0.00 C ATOM 0 H PHE A 92 -13.441 -3.266 10.117 1.00 0.00 H new ATOM 0 HA PHE A 92 -15.640 -4.039 8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -14.730 -1.870 8.197 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.087 -2.470 8.091 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -16.365 -2.782 6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -12.118 -2.681 5.992 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -16.547 -2.844 3.857 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -12.296 -2.740 3.543 1.00 0.00 H new ATOM 0 HZ PHE A 92 -14.512 -2.825 2.471 1.00 0.00 H new ATOM 1429 N SER A 93 -14.945 -5.943 7.109 1.00 0.00 N ATOM 1430 CA SER A 93 -14.577 -7.118 6.326 1.00 0.00 C ATOM 1431 C SER A 93 -14.540 -6.788 4.838 1.00 0.00 C ATOM 1432 O SER A 93 -15.324 -5.971 4.352 1.00 0.00 O ATOM 1433 CB SER A 93 -15.565 -8.257 6.583 1.00 0.00 C ATOM 1434 OG SER A 93 -16.904 -7.801 6.497 1.00 0.00 O ATOM 0 H SER A 93 -15.948 -5.764 7.156 1.00 0.00 H new ATOM 0 HA SER A 93 -13.581 -7.434 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.402 -9.054 5.858 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.385 -8.682 7.570 1.00 0.00 H new ATOM 0 HG SER A 93 -17.515 -8.549 6.664 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.623 -7.428 4.120 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.482 -7.202 2.685 1.00 0.00 C ATOM 1442 C CYS A 94 -13.071 -8.486 1.972 1.00 0.00 C ATOM 1443 O CYS A 94 -12.570 -9.423 2.595 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.451 -6.105 2.420 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.855 -6.381 3.225 1.00 0.00 S ATOM 0 H CYS A 94 -12.967 -8.106 4.507 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.449 -6.884 2.295 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.294 -6.021 1.345 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.856 -5.151 2.758 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.959 -6.663 2.327 1.00 0.00 H new ATOM 1451 N THR A 95 -13.290 -8.525 0.661 1.00 0.00 N ATOM 1452 CA THR A 95 -12.945 -9.694 -0.137 1.00 0.00 C ATOM 1453 C THR A 95 -11.461 -9.705 -0.485 1.00 0.00 C ATOM 1454 O THR A 95 -10.816 -10.752 -0.458 1.00 0.00 O ATOM 1455 CB THR A 95 -13.766 -9.746 -1.440 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.455 -8.614 -2.261 1.00 0.00 O ATOM 1457 CG2 THR A 95 -15.257 -9.767 -1.139 1.00 0.00 C ATOM 0 H THR A 95 -13.705 -7.760 0.130 1.00 0.00 H new ATOM 0 HA THR A 95 -13.180 -10.570 0.468 1.00 0.00 H new ATOM 0 HB THR A 95 -13.506 -10.661 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.980 -8.656 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.816 -9.804 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.495 -10.645 -0.539 1.00 0.00 H new ATOM 0 HG23 THR A 95 -15.530 -8.867 -0.588 1.00 0.00 H new ATOM 1465 N SER A 96 -10.926 -8.533 -0.812 1.00 0.00 N ATOM 1466 CA SER A 96 -9.517 -8.409 -1.168 1.00 0.00 C ATOM 1467 C SER A 96 -8.960 -7.062 -0.718 1.00 0.00 C ATOM 1468 O SER A 96 -9.701 -6.090 -0.565 1.00 0.00 O ATOM 1469 CB SER A 96 -9.335 -8.571 -2.679 1.00 0.00 C ATOM 1470 OG SER A 96 -8.042 -9.061 -2.987 1.00 0.00 O ATOM 0 H SER A 96 -11.446 -7.656 -0.838 1.00 0.00 H new ATOM 0 HA SER A 96 -8.967 -9.199 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.089 -9.255 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.491 -7.612 -3.172 1.00 0.00 H new ATOM 0 HG SER A 96 -7.951 -9.157 -3.958 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.649 -7.012 -0.509 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.990 -5.785 -0.075 1.00 0.00 C ATOM 1478 C LEU A 97 -7.515 -4.582 -0.853 1.00 0.00 C ATOM 1479 O LEU A 97 -7.692 -3.499 -0.295 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.476 -5.904 -0.259 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.721 -6.636 0.853 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.329 -7.029 0.382 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.638 -5.770 2.101 1.00 0.00 C ATOM 0 H LEU A 97 -7.022 -7.807 -0.633 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.211 -5.636 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.284 -6.418 -1.201 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.061 -4.900 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.269 -7.545 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.806 -7.548 1.185 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.410 -7.687 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.772 -6.134 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.098 -6.307 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.113 -4.844 1.867 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.644 -5.538 2.450 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.761 -4.780 -2.143 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.269 -3.712 -2.997 1.00 0.00 C ATOM 1497 C ASP A 98 -9.347 -2.907 -2.278 1.00 0.00 C ATOM 1498 O ASP A 98 -9.210 -1.699 -2.086 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.830 -4.292 -4.295 1.00 0.00 C ATOM 1500 CG ASP A 98 -7.751 -4.888 -5.178 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -6.934 -5.681 -4.663 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.723 -4.562 -6.383 1.00 0.00 O ATOM 0 H ASP A 98 -7.617 -5.670 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.440 -3.045 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.566 -5.060 -4.058 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.352 -3.508 -4.844 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.419 -3.585 -1.881 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.520 -2.933 -1.183 1.00 0.00 C ATOM 1509 C ALA A 99 -11.006 -2.059 -0.044 1.00 0.00 C ATOM 1510 O ALA A 99 -11.383 -0.892 0.075 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.498 -3.972 -0.654 1.00 0.00 C ATOM 0 H ALA A 99 -10.548 -4.586 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.039 -2.290 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -13.315 -3.471 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.898 -4.552 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.982 -4.638 0.038 1.00 0.00 H new ATOM 1517 N VAL A 100 -10.145 -2.630 0.792 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.580 -1.902 1.922 1.00 0.00 C ATOM 1519 C VAL A 100 -9.111 -0.514 1.502 1.00 0.00 C ATOM 1520 O VAL A 100 -9.503 0.492 2.096 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.395 -2.666 2.544 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.810 -1.884 3.711 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.830 -4.054 2.987 1.00 0.00 C ATOM 0 H VAL A 100 -9.823 -3.594 0.708 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.372 -1.805 2.665 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.619 -2.778 1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.974 -2.438 4.138 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.460 -0.913 3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.576 -1.739 4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.981 -4.579 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.624 -3.967 3.729 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.198 -4.612 2.126 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.270 -0.464 0.475 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.748 0.801 -0.027 1.00 0.00 C ATOM 1535 C VAL A 101 -8.854 1.844 -0.144 1.00 0.00 C ATOM 1536 O VAL A 101 -8.682 2.994 0.255 1.00 0.00 O ATOM 1537 CB VAL A 101 -7.074 0.626 -1.401 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.671 1.976 -1.974 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.870 -0.296 -1.290 1.00 0.00 C ATOM 0 H VAL A 101 -7.935 -1.286 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 101 -7.004 1.144 0.692 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.791 0.169 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -6.197 1.832 -2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.557 2.600 -2.092 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.971 2.464 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.406 -0.408 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -5.148 0.131 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -6.191 -1.272 -0.927 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.991 1.431 -0.696 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.128 2.329 -0.867 1.00 0.00 C ATOM 1551 C ASN A 102 -11.739 2.696 0.482 1.00 0.00 C ATOM 1552 O ASN A 102 -11.981 3.868 0.769 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.187 1.683 -1.761 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.690 1.459 -3.176 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.501 2.408 -3.936 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -11.478 0.198 -3.536 1.00 0.00 N ATOM 0 H ASN A 102 -10.149 0.481 -1.032 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.769 3.241 -1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.490 0.729 -1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.073 2.317 -1.786 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.145 -0.015 -4.476 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.648 -0.557 -2.872 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.987 1.684 1.307 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.571 1.899 2.625 1.00 0.00 C ATOM 1565 C TYR A 103 -12.001 3.154 3.277 1.00 0.00 C ATOM 1566 O TYR A 103 -12.743 4.011 3.757 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.319 0.685 3.522 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.606 0.943 4.984 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -11.674 1.581 5.793 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -13.809 0.548 5.556 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -11.933 1.818 7.129 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.076 0.782 6.891 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.134 1.417 7.673 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.395 1.652 9.004 1.00 0.00 O ATOM 0 H TYR A 103 -11.793 0.707 1.086 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.645 2.034 2.500 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.938 -0.144 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.280 0.373 3.414 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.732 1.897 5.370 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.548 0.049 4.946 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.198 2.315 7.744 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.017 0.470 7.320 1.00 0.00 H new ATOM 0 HH TYR A 103 -14.285 1.309 9.228 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.676 3.258 3.288 1.00 0.00 N ATOM 1585 CA PHE A 104 -10.004 4.408 3.881 1.00 0.00 C ATOM 1586 C PHE A 104 -10.351 5.688 3.126 1.00 0.00 C ATOM 1587 O PHE A 104 -10.629 6.723 3.732 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.488 4.197 3.878 1.00 0.00 C ATOM 1589 CG PHE A 104 -8.009 3.280 4.966 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.095 3.658 6.296 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.473 2.039 4.659 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.656 2.816 7.301 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -7.032 1.193 5.660 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.123 1.582 6.982 1.00 0.00 C ATOM 0 H PHE A 104 -10.046 2.559 2.893 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.348 4.508 4.910 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.188 3.790 2.912 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.994 5.163 3.984 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.510 4.622 6.551 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.399 1.730 3.627 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.730 3.123 8.334 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -6.617 0.228 5.408 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.778 0.923 7.765 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.334 5.610 1.799 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.646 6.762 0.962 1.00 0.00 C ATOM 1606 C VAL A 105 -11.941 7.432 1.411 1.00 0.00 C ATOM 1607 O VAL A 105 -12.078 8.653 1.332 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.777 6.360 -0.519 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.261 7.537 -1.352 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.450 5.832 -1.046 1.00 0.00 C ATOM 0 H VAL A 105 -10.107 4.761 1.281 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.820 7.465 1.069 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.517 5.563 -0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.347 7.233 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.235 7.865 -0.988 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.548 8.358 -1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.560 5.552 -2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.688 6.606 -0.955 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.150 4.959 -0.467 1.00 0.00 H new ATOM 1620 N SER A 106 -12.887 6.625 1.880 1.00 0.00 N ATOM 1621 CA SER A 106 -14.172 7.140 2.338 1.00 0.00 C ATOM 1622 C SER A 106 -14.104 7.539 3.809 1.00 0.00 C ATOM 1623 O SER A 106 -14.389 8.682 4.168 1.00 0.00 O ATOM 1624 CB SER A 106 -15.267 6.091 2.134 1.00 0.00 C ATOM 1625 OG SER A 106 -16.513 6.552 2.627 1.00 0.00 O ATOM 0 H SER A 106 -12.788 5.612 1.953 1.00 0.00 H new ATOM 0 HA SER A 106 -14.411 8.026 1.749 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.357 5.856 1.073 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.990 5.168 2.643 1.00 0.00 H new ATOM 0 HG SER A 106 -17.196 5.864 2.483 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.724 6.589 4.657 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.617 6.841 6.090 1.00 0.00 C ATOM 1633 C HIS A 107 -12.940 8.181 6.357 1.00 0.00 C ATOM 1634 O HIS A 107 -13.471 9.026 7.079 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.835 5.716 6.770 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.154 6.140 8.035 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -11.071 6.926 8.237 1.00 0.00 N flip ATOM 1638 CD2 HIS A 107 -12.580 5.747 9.286 1.00 0.00 C flip ATOM 1639 CE1 HIS A 107 -10.865 6.995 9.593 1.00 0.00 C flip ATOM 1640 NE2 HIS A 107 -11.790 6.274 10.204 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.485 5.638 4.377 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.625 6.875 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.516 4.894 6.991 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -12.087 5.333 6.075 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.428 5.108 9.484 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -10.076 7.548 10.081 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.878 6.147 11.212 1.00 0.00 H new ATOM 1649 N THR A 108 -11.761 8.371 5.771 1.00 0.00 N ATOM 1650 CA THR A 108 -11.009 9.607 5.947 1.00 0.00 C ATOM 1651 C THR A 108 -11.905 10.826 5.756 1.00 0.00 C ATOM 1652 O THR A 108 -12.714 10.876 4.829 1.00 0.00 O ATOM 1653 CB THR A 108 -9.829 9.692 4.962 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.060 10.872 5.218 1.00 0.00 O ATOM 1655 CG2 THR A 108 -10.325 9.707 3.524 1.00 0.00 C ATOM 0 H THR A 108 -11.307 7.683 5.170 1.00 0.00 H new ATOM 0 HA THR A 108 -10.621 9.599 6.966 1.00 0.00 H new ATOM 0 HB THR A 108 -9.202 8.812 5.105 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.115 11.472 4.445 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.474 9.767 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 108 -10.885 8.794 3.323 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.972 10.571 3.371 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.755 11.808 6.638 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.548 13.030 6.566 1.00 0.00 C ATOM 1665 C LYS A 109 -12.556 13.591 5.148 1.00 0.00 C ATOM 1666 O LYS A 109 -13.597 14.004 4.639 1.00 0.00 O ATOM 1667 CB LYS A 109 -11.999 14.076 7.538 1.00 0.00 C ATOM 1668 CG LYS A 109 -10.569 14.492 7.239 1.00 0.00 C ATOM 1669 CD LYS A 109 -10.097 15.585 8.185 1.00 0.00 C ATOM 1670 CE LYS A 109 -10.444 16.968 7.656 1.00 0.00 C ATOM 1671 NZ LYS A 109 -9.378 17.506 6.766 1.00 0.00 N ATOM 0 H LYS A 109 -11.091 11.782 7.412 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.573 12.786 6.846 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.639 14.958 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.049 13.679 8.552 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.912 13.627 7.325 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.499 14.845 6.210 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.555 15.443 9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -9.019 15.507 8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -11.385 16.921 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -10.596 17.649 8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -9.682 18.419 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -8.503 17.639 7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -9.203 16.836 5.990 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.387 13.601 4.515 1.00 0.00 N ATOM 1686 CA LYS A 110 -11.259 14.109 3.154 1.00 0.00 C ATOM 1687 C LYS A 110 -10.676 13.046 2.229 1.00 0.00 C ATOM 1688 O LYS A 110 -9.589 12.523 2.477 1.00 0.00 O ATOM 1689 CB LYS A 110 -10.375 15.358 3.134 1.00 0.00 C ATOM 1690 CG LYS A 110 -11.147 16.653 3.321 1.00 0.00 C ATOM 1691 CD LYS A 110 -10.217 17.854 3.366 1.00 0.00 C ATOM 1692 CE LYS A 110 -9.753 18.252 1.973 1.00 0.00 C ATOM 1693 NZ LYS A 110 -10.773 19.070 1.261 1.00 0.00 N ATOM 0 H LYS A 110 -10.515 13.263 4.923 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.255 14.371 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.625 15.275 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.839 15.398 2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -11.860 16.774 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -11.724 16.604 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -10.729 18.695 3.834 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -9.351 17.622 3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -8.823 18.816 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.537 17.355 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -10.419 19.321 0.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -11.653 18.523 1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -10.961 19.938 1.802 1.00 0.00 H new ATOM 1707 N ALA A 111 -11.403 12.731 1.162 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.956 11.734 0.198 1.00 0.00 C ATOM 1709 C ALA A 111 -9.440 11.768 0.038 1.00 0.00 C ATOM 1710 O ALA A 111 -8.881 12.742 -0.468 1.00 0.00 O ATOM 1711 CB ALA A 111 -11.636 11.953 -1.144 1.00 0.00 C ATOM 0 H ALA A 111 -12.306 13.153 0.944 1.00 0.00 H new ATOM 0 HA ALA A 111 -11.234 10.750 0.575 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.292 11.200 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.716 11.870 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -11.388 12.946 -1.520 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.780 10.699 0.469 1.00 0.00 N ATOM 1718 CA LEU A 112 -7.327 10.607 0.373 1.00 0.00 C ATOM 1719 C LEU A 112 -6.908 9.952 -0.940 1.00 0.00 C ATOM 1720 O LEU A 112 -7.685 9.225 -1.559 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.767 9.812 1.554 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.333 10.146 1.969 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.298 11.434 2.776 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.727 8.998 2.764 1.00 0.00 C ATOM 0 H LEU A 112 -9.227 9.884 0.888 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.921 11.618 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.419 9.969 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.815 8.751 1.307 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.738 10.291 1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.270 11.656 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.691 12.252 2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.908 11.319 3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -3.707 9.253 3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -5.323 8.821 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -4.717 8.097 2.151 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.674 10.216 -1.359 1.00 0.00 N ATOM 1737 CA VAL A 113 -5.151 9.649 -2.597 1.00 0.00 C ATOM 1738 C VAL A 113 -4.146 8.539 -2.312 1.00 0.00 C ATOM 1739 O VAL A 113 -3.245 8.680 -1.485 1.00 0.00 O ATOM 1740 CB VAL A 113 -4.475 10.727 -3.465 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.867 10.104 -4.713 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -5.472 11.815 -3.835 1.00 0.00 C ATOM 0 H VAL A 113 -5.019 10.818 -0.860 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.001 9.235 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.671 11.183 -2.887 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -3.394 10.881 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.121 9.364 -4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.650 9.620 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.978 12.568 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.298 11.376 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.856 12.281 -2.927 1.00 0.00 H new ATOM 1752 N PRO A 114 -4.302 7.406 -3.013 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.416 6.248 -2.853 1.00 0.00 C ATOM 1754 C PRO A 114 -2.017 6.509 -3.399 1.00 0.00 C ATOM 1755 O PRO A 114 -1.797 7.470 -4.136 1.00 0.00 O ATOM 1756 CB PRO A 114 -4.112 5.155 -3.667 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.918 5.892 -4.681 1.00 0.00 C ATOM 1758 CD PRO A 114 -5.354 7.168 -4.016 1.00 0.00 C ATOM 0 HA PRO A 114 -3.268 5.989 -1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.388 4.493 -4.142 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.745 4.533 -3.034 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -4.327 6.099 -5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.779 5.303 -4.998 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -5.423 7.990 -4.729 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -6.335 7.065 -3.553 1.00 0.00 H new ATOM 1766 N PHE A 115 -1.074 5.647 -3.033 1.00 0.00 N ATOM 1767 CA PHE A 115 0.305 5.786 -3.486 1.00 0.00 C ATOM 1768 C PHE A 115 0.674 4.666 -4.454 1.00 0.00 C ATOM 1769 O PHE A 115 0.390 3.494 -4.204 1.00 0.00 O ATOM 1770 CB PHE A 115 1.261 5.777 -2.291 1.00 0.00 C ATOM 1771 CG PHE A 115 2.684 6.080 -2.659 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.045 7.342 -3.106 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.663 5.105 -2.558 1.00 0.00 C ATOM 1774 CE1 PHE A 115 4.354 7.625 -3.445 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.975 5.383 -2.896 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.320 6.644 -3.341 1.00 0.00 C ATOM 0 H PHE A 115 -1.240 4.845 -2.424 1.00 0.00 H new ATOM 0 HA PHE A 115 0.395 6.739 -4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.920 6.508 -1.558 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.219 4.800 -1.810 1.00 0.00 H new ATOM 0 HD1 PHE A 115 2.294 8.113 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.399 4.117 -2.211 1.00 0.00 H new ATOM 0 HE1 PHE A 115 4.621 8.613 -3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.729 4.614 -2.812 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.344 6.862 -3.607 1.00 0.00 H new ATOM 1786 N LEU A 116 1.309 5.035 -5.562 1.00 0.00 N ATOM 1787 CA LEU A 116 1.717 4.063 -6.569 1.00 0.00 C ATOM 1788 C LEU A 116 2.995 4.511 -7.272 1.00 0.00 C ATOM 1789 O LEU A 116 3.125 5.670 -7.668 1.00 0.00 O ATOM 1790 CB LEU A 116 0.601 3.862 -7.596 1.00 0.00 C ATOM 1791 CG LEU A 116 0.940 2.973 -8.792 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.212 1.547 -8.337 1.00 0.00 C ATOM 1793 CD2 LEU A 116 -0.186 3.002 -9.815 1.00 0.00 C ATOM 0 H LEU A 116 1.552 6.000 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 116 1.913 3.117 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.262 3.436 -7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.299 4.840 -7.970 1.00 0.00 H new ATOM 0 HG LEU A 116 1.843 3.361 -9.264 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.452 0.929 -9.202 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.052 1.541 -7.643 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.327 1.149 -7.840 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.073 2.363 -10.659 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.105 2.640 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.334 4.024 -10.165 1.00 0.00 H new ATOM 1805 N LEU A 117 3.934 3.584 -7.427 1.00 0.00 N ATOM 1806 CA LEU A 117 5.202 3.883 -8.085 1.00 0.00 C ATOM 1807 C LEU A 117 5.440 2.942 -9.261 1.00 0.00 C ATOM 1808 O LEU A 117 5.708 1.755 -9.076 1.00 0.00 O ATOM 1809 CB LEU A 117 6.356 3.770 -7.087 1.00 0.00 C ATOM 1810 CG LEU A 117 7.577 4.646 -7.371 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.163 4.318 -8.735 1.00 0.00 C ATOM 1812 CD2 LEU A 117 7.207 6.120 -7.287 1.00 0.00 C ATOM 0 H LEU A 117 3.842 2.620 -7.107 1.00 0.00 H new ATOM 0 HA LEU A 117 5.155 4.904 -8.463 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.978 4.019 -6.095 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.680 2.730 -7.053 1.00 0.00 H new ATOM 0 HG LEU A 117 8.334 4.439 -6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.031 4.951 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.466 3.271 -8.759 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.413 4.496 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.088 6.728 -7.492 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.433 6.343 -8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.835 6.345 -6.288 1.00 0.00 H new ATOM 1824 N ASP A 118 5.341 3.480 -10.472 1.00 0.00 N ATOM 1825 CA ASP A 118 5.548 2.690 -11.680 1.00 0.00 C ATOM 1826 C ASP A 118 7.011 2.730 -12.111 1.00 0.00 C ATOM 1827 O ASP A 118 7.633 3.792 -12.132 1.00 0.00 O ATOM 1828 CB ASP A 118 4.656 3.204 -12.811 1.00 0.00 C ATOM 1829 CG ASP A 118 3.185 2.950 -12.547 1.00 0.00 C ATOM 1830 OD1 ASP A 118 2.745 1.792 -12.700 1.00 0.00 O ATOM 1831 OD2 ASP A 118 2.471 3.911 -12.189 1.00 0.00 O ATOM 0 H ASP A 118 5.119 4.461 -10.643 1.00 0.00 H new ATOM 0 HA ASP A 118 5.281 1.657 -11.459 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.820 4.274 -12.942 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.944 2.721 -13.745 1.00 0.00 H new TER 1836 ASP A 118