USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 795 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 24 LYS NZ :NH3+ -171:sc= 0.0869 (180deg=0) USER MOD Set 1.2: A 42 ASN : amide:sc= 0.0291 K(o=0.12,f=-0.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.422 USER MOD Single : A 3 SER OG : rot 61:sc= 0.00327 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 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 18 THR OG1 : rot -80:sc= 0.808 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -178:sc= 0.868 (180deg=0.863) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.085) USER MOD Single : A 39 MET CE :methyl -164:sc= -1.32 (180deg=-1.84) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -7.24! C(o=-7.2!,f=-8.3!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -105:sc= -4.54! (180deg=-9.11!) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 68:sc= 1.25 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.0369 X(o=-0.037,f=-0.32) USER MOD Single : A 76 MET CE :methyl 157:sc= -0.888 (180deg=-1.37) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 165:sc= -0.22 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 1.02 (180deg=1.02) USER MOD Single : A 81 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.39) USER MOD Single : A 83 MET CE :methyl 147:sc= -0.59 (180deg=-0.709) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -162:sc= 1.27 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -32.033 -5.000 -0.919 1.00 0.00 N ATOM 2 CA GLY A 1 -30.656 -4.542 -0.843 1.00 0.00 C ATOM 3 C GLY A 1 -29.871 -5.336 0.203 1.00 0.00 C ATOM 4 O GLY A 1 -29.561 -4.821 1.275 1.00 0.00 O ATOM 0 H1 GLY A 1 -32.544 -4.446 -1.635 1.00 0.00 H new ATOM 0 H2 GLY A 1 -32.050 -6.006 -1.182 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.492 -4.876 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -30.180 -4.647 -1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -30.635 -3.482 -0.591 1.00 0.00 H new ATOM 8 N SER A 2 -29.571 -6.579 -0.147 1.00 0.00 N ATOM 9 CA SER A 2 -28.828 -7.449 0.748 1.00 0.00 C ATOM 10 C SER A 2 -27.347 -7.452 0.365 1.00 0.00 C ATOM 11 O SER A 2 -26.899 -8.311 -0.393 1.00 0.00 O ATOM 12 CB SER A 2 -29.386 -8.874 0.720 1.00 0.00 C ATOM 13 OG SER A 2 -29.443 -9.399 -0.604 1.00 0.00 O ATOM 0 H SER A 2 -29.829 -7.003 -1.038 1.00 0.00 H new ATOM 0 HA SER A 2 -28.934 -7.066 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.763 -9.519 1.339 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.385 -8.881 1.156 1.00 0.00 H new ATOM 0 HG SER A 2 -28.597 -9.218 -1.064 1.00 0.00 H new ATOM 19 N SER A 3 -26.627 -6.481 0.907 1.00 0.00 N ATOM 20 CA SER A 3 -25.205 -6.360 0.632 1.00 0.00 C ATOM 21 C SER A 3 -24.591 -5.272 1.515 1.00 0.00 C ATOM 22 O SER A 3 -25.071 -4.140 1.534 1.00 0.00 O ATOM 23 CB SER A 3 -24.955 -6.049 -0.845 1.00 0.00 C ATOM 24 OG SER A 3 -24.274 -7.112 -1.507 1.00 0.00 O ATOM 0 H SER A 3 -27.002 -5.770 1.535 1.00 0.00 H new ATOM 0 HA SER A 3 -24.730 -7.314 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.907 -5.863 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.368 -5.135 -0.929 1.00 0.00 H new ATOM 0 HG SER A 3 -24.819 -7.926 -1.465 1.00 0.00 H new ATOM 30 N GLY A 4 -23.540 -5.655 2.226 1.00 0.00 N ATOM 31 CA GLY A 4 -22.856 -4.726 3.109 1.00 0.00 C ATOM 32 C GLY A 4 -21.375 -4.611 2.743 1.00 0.00 C ATOM 33 O GLY A 4 -20.554 -5.402 3.206 1.00 0.00 O ATOM 0 H GLY A 4 -23.146 -6.596 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.327 -3.745 3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.954 -5.061 4.142 1.00 0.00 H new ATOM 37 N SER A 5 -21.078 -3.620 1.915 1.00 0.00 N ATOM 38 CA SER A 5 -19.710 -3.391 1.482 1.00 0.00 C ATOM 39 C SER A 5 -19.026 -4.727 1.183 1.00 0.00 C ATOM 40 O SER A 5 -18.428 -5.334 2.070 1.00 0.00 O ATOM 41 CB SER A 5 -18.920 -2.615 2.537 1.00 0.00 C ATOM 42 OG SER A 5 -18.318 -1.442 1.997 1.00 0.00 O ATOM 0 H SER A 5 -21.761 -2.967 1.533 1.00 0.00 H new ATOM 0 HA SER A 5 -19.735 -2.791 0.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -19.584 -2.338 3.356 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.147 -3.259 2.957 1.00 0.00 H new ATOM 0 HG SER A 5 -17.824 -0.973 2.702 1.00 0.00 H new ATOM 48 N SER A 6 -19.136 -5.145 -0.069 1.00 0.00 N ATOM 49 CA SER A 6 -18.536 -6.397 -0.496 1.00 0.00 C ATOM 50 C SER A 6 -17.377 -6.122 -1.457 1.00 0.00 C ATOM 51 O SER A 6 -17.357 -5.093 -2.131 1.00 0.00 O ATOM 52 CB SER A 6 -19.571 -7.307 -1.160 1.00 0.00 C ATOM 53 OG SER A 6 -20.148 -8.224 -0.235 1.00 0.00 O ATOM 0 H SER A 6 -19.632 -4.638 -0.802 1.00 0.00 H new ATOM 0 HA SER A 6 -18.154 -6.910 0.386 1.00 0.00 H new ATOM 0 HB2 SER A 6 -20.358 -6.697 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.099 -7.860 -1.972 1.00 0.00 H new ATOM 0 HG SER A 6 -20.805 -8.786 -0.698 1.00 0.00 H new ATOM 59 N GLY A 7 -16.441 -7.059 -1.490 1.00 0.00 N ATOM 60 CA GLY A 7 -15.283 -6.929 -2.357 1.00 0.00 C ATOM 61 C GLY A 7 -14.271 -8.046 -2.091 1.00 0.00 C ATOM 62 O GLY A 7 -13.478 -7.960 -1.154 1.00 0.00 O ATOM 0 H GLY A 7 -16.461 -7.911 -0.930 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.599 -6.961 -3.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.811 -5.960 -2.196 1.00 0.00 H new ATOM 66 N GLU A 8 -14.332 -9.069 -2.931 1.00 0.00 N ATOM 67 CA GLU A 8 -13.431 -10.201 -2.798 1.00 0.00 C ATOM 68 C GLU A 8 -12.115 -9.921 -3.526 1.00 0.00 C ATOM 69 O GLU A 8 -12.118 -9.544 -4.697 1.00 0.00 O ATOM 70 CB GLU A 8 -14.083 -11.484 -3.317 1.00 0.00 C ATOM 71 CG GLU A 8 -14.844 -12.203 -2.201 1.00 0.00 C ATOM 72 CD GLU A 8 -15.485 -13.493 -2.718 1.00 0.00 C ATOM 73 OE1 GLU A 8 -15.859 -13.503 -3.910 1.00 0.00 O ATOM 74 OE2 GLU A 8 -15.586 -14.440 -1.908 1.00 0.00 O ATOM 0 H GLU A 8 -14.991 -9.137 -3.706 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.214 -10.345 -1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.766 -11.245 -4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.319 -12.145 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.163 -12.434 -1.382 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.615 -11.545 -1.799 1.00 0.00 H new ATOM 81 N GLY A 9 -11.022 -10.116 -2.803 1.00 0.00 N ATOM 82 CA GLY A 9 -9.702 -9.889 -3.366 1.00 0.00 C ATOM 83 C GLY A 9 -8.986 -8.747 -2.642 1.00 0.00 C ATOM 84 O GLY A 9 -9.606 -7.744 -2.291 1.00 0.00 O ATOM 0 H GLY A 9 -11.024 -10.429 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.109 -10.800 -3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.791 -9.653 -4.426 1.00 0.00 H new ATOM 88 N TYR A 10 -7.691 -8.937 -2.440 1.00 0.00 N ATOM 89 CA TYR A 10 -6.884 -7.935 -1.764 1.00 0.00 C ATOM 90 C TYR A 10 -6.028 -7.155 -2.763 1.00 0.00 C ATOM 91 O TYR A 10 -6.161 -5.938 -2.882 1.00 0.00 O ATOM 92 CB TYR A 10 -5.964 -8.705 -0.815 1.00 0.00 C ATOM 93 CG TYR A 10 -6.673 -9.273 0.416 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.586 -8.500 1.104 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.400 -10.558 0.839 1.00 0.00 C ATOM 96 CE1 TYR A 10 -8.254 -9.035 2.262 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.068 -11.093 1.997 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.962 -10.304 2.652 1.00 0.00 C ATOM 99 OH TYR A 10 -8.593 -10.809 3.746 1.00 0.00 O ATOM 0 H TYR A 10 -7.180 -9.770 -2.732 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.519 -7.219 -1.242 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.498 -9.524 -1.363 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.162 -8.044 -0.487 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.799 -7.494 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.685 -11.163 0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.971 -8.441 2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.864 -12.097 2.338 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.287 -11.726 3.906 1.00 0.00 H new ATOM 109 N GLU A 11 -5.169 -7.887 -3.456 1.00 0.00 N ATOM 110 CA GLU A 11 -4.291 -7.278 -4.442 1.00 0.00 C ATOM 111 C GLU A 11 -5.035 -6.186 -5.212 1.00 0.00 C ATOM 112 O GLU A 11 -4.568 -5.051 -5.295 1.00 0.00 O ATOM 113 CB GLU A 11 -3.723 -8.332 -5.395 1.00 0.00 C ATOM 114 CG GLU A 11 -2.571 -9.098 -4.742 1.00 0.00 C ATOM 115 CD GLU A 11 -3.017 -10.496 -4.309 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.060 -11.377 -5.194 1.00 0.00 O ATOM 117 OE2 GLU A 11 -3.305 -10.651 -3.102 1.00 0.00 O ATOM 0 H GLU A 11 -5.062 -8.896 -3.355 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.452 -6.819 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.510 -9.029 -5.683 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.373 -7.851 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.740 -9.178 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.206 -8.545 -3.877 1.00 0.00 H new ATOM 124 N GLN A 12 -6.181 -6.567 -5.758 1.00 0.00 N ATOM 125 CA GLN A 12 -6.994 -5.634 -6.519 1.00 0.00 C ATOM 126 C GLN A 12 -7.081 -4.290 -5.793 1.00 0.00 C ATOM 127 O GLN A 12 -6.539 -3.291 -6.262 1.00 0.00 O ATOM 128 CB GLN A 12 -8.389 -6.208 -6.778 1.00 0.00 C ATOM 129 CG GLN A 12 -9.143 -5.369 -7.812 1.00 0.00 C ATOM 130 CD GLN A 12 -10.650 -5.402 -7.551 1.00 0.00 C ATOM 131 OE1 GLN A 12 -11.191 -6.350 -7.006 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.296 -4.316 -7.968 1.00 0.00 N ATOM 0 H GLN A 12 -6.565 -7.509 -5.688 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.517 -5.472 -7.486 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.304 -7.236 -7.131 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.953 -6.237 -5.846 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.787 -4.339 -7.779 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.935 -5.746 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.782 -3.558 -8.417 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.305 -4.242 -7.839 1.00 0.00 H new ATOM 141 N ASP A 13 -7.766 -4.310 -4.659 1.00 0.00 N ATOM 142 CA ASP A 13 -7.930 -3.105 -3.863 1.00 0.00 C ATOM 143 C ASP A 13 -6.603 -2.345 -3.816 1.00 0.00 C ATOM 144 O ASP A 13 -6.499 -1.238 -4.341 1.00 0.00 O ATOM 145 CB ASP A 13 -8.333 -3.444 -2.426 1.00 0.00 C ATOM 146 CG ASP A 13 -9.564 -2.700 -1.907 1.00 0.00 C ATOM 147 OD1 ASP A 13 -10.680 -3.111 -2.291 1.00 0.00 O ATOM 148 OD2 ASP A 13 -9.362 -1.736 -1.137 1.00 0.00 O ATOM 0 H ASP A 13 -8.214 -5.141 -4.272 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.712 -2.501 -4.323 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.521 -4.516 -2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.492 -3.227 -1.768 1.00 0.00 H new ATOM 153 N PHE A 14 -5.622 -2.971 -3.181 1.00 0.00 N ATOM 154 CA PHE A 14 -4.306 -2.368 -3.059 1.00 0.00 C ATOM 155 C PHE A 14 -3.857 -1.756 -4.387 1.00 0.00 C ATOM 156 O PHE A 14 -3.427 -0.605 -4.431 1.00 0.00 O ATOM 157 CB PHE A 14 -3.336 -3.486 -2.671 1.00 0.00 C ATOM 158 CG PHE A 14 -1.864 -3.068 -2.694 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.291 -2.536 -1.581 1.00 0.00 C ATOM 160 CD2 PHE A 14 -1.129 -3.229 -3.827 1.00 0.00 C ATOM 161 CE1 PHE A 14 0.075 -2.149 -1.602 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.237 -2.841 -3.847 1.00 0.00 C ATOM 163 CZ PHE A 14 0.810 -2.309 -2.734 1.00 0.00 C ATOM 0 H PHE A 14 -5.713 -3.889 -2.746 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.329 -1.573 -2.314 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.587 -3.840 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.475 -4.326 -3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.875 -2.408 -0.682 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.584 -3.652 -4.711 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.530 -1.727 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.821 -2.968 -4.746 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.849 -2.014 -2.750 1.00 0.00 H new ATOM 173 N ALA A 15 -3.972 -2.555 -5.438 1.00 0.00 N ATOM 174 CA ALA A 15 -3.583 -2.107 -6.765 1.00 0.00 C ATOM 175 C ALA A 15 -4.265 -0.771 -7.067 1.00 0.00 C ATOM 176 O ALA A 15 -3.596 0.219 -7.359 1.00 0.00 O ATOM 177 CB ALA A 15 -3.934 -3.186 -7.791 1.00 0.00 C ATOM 0 H ALA A 15 -4.329 -3.510 -5.398 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.506 -1.947 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.642 -2.850 -8.786 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.402 -4.106 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.008 -3.372 -7.771 1.00 0.00 H new ATOM 183 N VAL A 16 -5.587 -0.786 -6.987 1.00 0.00 N ATOM 184 CA VAL A 16 -6.366 0.412 -7.249 1.00 0.00 C ATOM 185 C VAL A 16 -5.839 1.558 -6.383 1.00 0.00 C ATOM 186 O VAL A 16 -5.706 2.686 -6.854 1.00 0.00 O ATOM 187 CB VAL A 16 -7.853 0.129 -7.024 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.674 1.417 -7.102 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.370 -0.912 -8.020 1.00 0.00 C ATOM 0 H VAL A 16 -6.139 -1.609 -6.744 1.00 0.00 H new ATOM 0 HA VAL A 16 -6.260 0.716 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.968 -0.281 -6.021 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.727 1.188 -6.939 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -8.331 2.114 -6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.550 1.869 -8.086 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.429 -1.095 -7.838 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.235 -0.542 -9.036 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.815 -1.842 -7.896 1.00 0.00 H new ATOM 199 N LEU A 17 -5.552 1.228 -5.133 1.00 0.00 N ATOM 200 CA LEU A 17 -5.041 2.215 -4.197 1.00 0.00 C ATOM 201 C LEU A 17 -3.694 2.739 -4.699 1.00 0.00 C ATOM 202 O LEU A 17 -3.601 3.874 -5.166 1.00 0.00 O ATOM 203 CB LEU A 17 -4.986 1.635 -2.782 1.00 0.00 C ATOM 204 CG LEU A 17 -6.286 1.704 -1.978 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.308 0.640 -0.878 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.510 3.111 -1.419 1.00 0.00 C ATOM 0 H LEU A 17 -5.664 0.291 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.715 3.070 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.679 0.591 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.210 2.160 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.116 1.488 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.243 0.711 -0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.228 -0.350 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.469 0.800 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.440 3.133 -0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.680 3.379 -0.765 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.569 3.824 -2.241 1.00 0.00 H new ATOM 218 N THR A 18 -2.685 1.888 -4.587 1.00 0.00 N ATOM 219 CA THR A 18 -1.348 2.251 -5.024 1.00 0.00 C ATOM 220 C THR A 18 -1.413 3.073 -6.313 1.00 0.00 C ATOM 221 O THR A 18 -0.645 4.018 -6.490 1.00 0.00 O ATOM 222 CB THR A 18 -0.531 0.966 -5.163 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.309 0.153 -6.037 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.473 0.164 -3.861 1.00 0.00 C ATOM 0 H THR A 18 -2.767 0.948 -4.200 1.00 0.00 H new ATOM 0 HA THR A 18 -0.853 2.890 -4.293 1.00 0.00 H new ATOM 0 HB THR A 18 0.482 1.213 -5.482 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.028 -0.279 -5.529 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.119 -0.738 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.014 0.770 -3.080 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.483 -0.112 -3.559 1.00 0.00 H new ATOM 232 N ALA A 19 -2.336 2.684 -7.179 1.00 0.00 N ATOM 233 CA ALA A 19 -2.511 3.373 -8.446 1.00 0.00 C ATOM 234 C ALA A 19 -3.111 4.757 -8.191 1.00 0.00 C ATOM 235 O ALA A 19 -2.443 5.772 -8.381 1.00 0.00 O ATOM 236 CB ALA A 19 -3.382 2.522 -9.374 1.00 0.00 C ATOM 0 H ALA A 19 -2.971 1.900 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.550 3.516 -8.940 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.513 3.039 -10.325 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.898 1.561 -9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.356 2.360 -8.912 1.00 0.00 H new ATOM 242 N GLU A 20 -4.365 4.754 -7.764 1.00 0.00 N ATOM 243 CA GLU A 20 -5.063 5.996 -7.480 1.00 0.00 C ATOM 244 C GLU A 20 -4.163 6.939 -6.678 1.00 0.00 C ATOM 245 O GLU A 20 -4.294 8.158 -6.773 1.00 0.00 O ATOM 246 CB GLU A 20 -6.376 5.732 -6.742 1.00 0.00 C ATOM 247 CG GLU A 20 -7.510 6.581 -7.319 1.00 0.00 C ATOM 248 CD GLU A 20 -7.927 6.074 -8.701 1.00 0.00 C ATOM 249 OE1 GLU A 20 -8.598 5.020 -8.740 1.00 0.00 O ATOM 250 OE2 GLU A 20 -7.564 6.751 -9.687 1.00 0.00 O ATOM 0 H GLU A 20 -4.916 3.910 -7.608 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.308 6.476 -8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.633 4.676 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.253 5.955 -5.682 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.366 6.556 -6.645 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.190 7.621 -7.390 1.00 0.00 H new ATOM 257 N ILE A 21 -3.269 6.338 -5.906 1.00 0.00 N ATOM 258 CA ILE A 21 -2.348 7.108 -5.088 1.00 0.00 C ATOM 259 C ILE A 21 -1.208 7.630 -5.965 1.00 0.00 C ATOM 260 O ILE A 21 -0.965 8.834 -6.022 1.00 0.00 O ATOM 261 CB ILE A 21 -1.875 6.281 -3.891 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.030 6.001 -2.927 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.695 6.957 -3.190 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.548 5.210 -1.709 1.00 0.00 C ATOM 0 H ILE A 21 -3.163 5.326 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.850 7.979 -4.666 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.522 5.318 -4.259 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.473 6.942 -2.602 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.811 5.442 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.378 6.349 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.133 7.062 -3.891 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.998 7.942 -2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.388 5.024 -1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.127 4.259 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.784 5.782 -1.182 1.00 0.00 H new ATOM 276 N THR A 22 -0.538 6.697 -6.626 1.00 0.00 N ATOM 277 CA THR A 22 0.571 7.047 -7.497 1.00 0.00 C ATOM 278 C THR A 22 0.231 8.293 -8.318 1.00 0.00 C ATOM 279 O THR A 22 1.053 9.199 -8.446 1.00 0.00 O ATOM 280 CB THR A 22 0.902 5.825 -8.355 1.00 0.00 C ATOM 281 OG1 THR A 22 2.186 5.415 -7.895 1.00 0.00 O ATOM 282 CG2 THR A 22 1.131 6.186 -9.824 1.00 0.00 C ATOM 0 H THR A 22 -0.742 5.699 -6.576 1.00 0.00 H new ATOM 0 HA THR A 22 1.459 7.308 -6.922 1.00 0.00 H new ATOM 0 HB THR A 22 0.092 5.100 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.477 4.626 -8.398 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.362 5.283 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.231 6.647 -10.230 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.963 6.886 -9.901 1.00 0.00 H new ATOM 290 N SER A 23 -0.982 8.298 -8.852 1.00 0.00 N ATOM 291 CA SER A 23 -1.440 9.417 -9.657 1.00 0.00 C ATOM 292 C SER A 23 -1.548 10.674 -8.792 1.00 0.00 C ATOM 293 O SER A 23 -0.952 11.702 -9.107 1.00 0.00 O ATOM 294 CB SER A 23 -2.787 9.107 -10.314 1.00 0.00 C ATOM 295 OG SER A 23 -2.805 7.812 -10.908 1.00 0.00 O ATOM 0 H SER A 23 -1.661 7.545 -8.743 1.00 0.00 H new ATOM 0 HA SER A 23 -0.711 9.590 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.579 9.175 -9.568 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.001 9.858 -11.075 1.00 0.00 H new ATOM 0 HG SER A 23 -3.682 7.651 -11.315 1.00 0.00 H new ATOM 301 N LYS A 24 -2.314 10.550 -7.718 1.00 0.00 N ATOM 302 CA LYS A 24 -2.509 11.664 -6.805 1.00 0.00 C ATOM 303 C LYS A 24 -1.145 12.210 -6.376 1.00 0.00 C ATOM 304 O LYS A 24 -0.973 13.420 -6.240 1.00 0.00 O ATOM 305 CB LYS A 24 -3.400 11.247 -5.633 1.00 0.00 C ATOM 306 CG LYS A 24 -4.843 11.029 -6.093 1.00 0.00 C ATOM 307 CD LYS A 24 -5.635 10.232 -5.054 1.00 0.00 C ATOM 308 CE LYS A 24 -7.124 10.576 -5.117 1.00 0.00 C ATOM 309 NZ LYS A 24 -7.882 9.784 -4.123 1.00 0.00 N ATOM 0 H LYS A 24 -2.807 9.695 -7.459 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.037 12.477 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.014 10.331 -5.186 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.373 12.015 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.324 11.992 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.849 10.499 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.497 9.165 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.251 10.446 -4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.266 11.640 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.507 10.377 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.902 9.914 -4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.642 8.777 -4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.636 10.103 -3.164 1.00 0.00 H new ATOM 323 N ILE A 25 -0.212 11.292 -6.176 1.00 0.00 N ATOM 324 CA ILE A 25 1.131 11.666 -5.766 1.00 0.00 C ATOM 325 C ILE A 25 1.772 12.524 -6.858 1.00 0.00 C ATOM 326 O ILE A 25 2.560 13.423 -6.564 1.00 0.00 O ATOM 327 CB ILE A 25 1.946 10.424 -5.402 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.518 9.866 -4.043 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.447 10.718 -5.454 1.00 0.00 C ATOM 330 CD1 ILE A 25 2.149 8.495 -3.790 1.00 0.00 C ATOM 0 H ILE A 25 -0.359 10.289 -6.290 1.00 0.00 H new ATOM 0 HA ILE A 25 1.098 12.273 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 25 1.743 9.653 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.812 10.557 -3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.432 9.783 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.003 9.818 -5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.721 11.033 -6.461 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.687 11.512 -4.747 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.829 8.121 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.833 7.800 -4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 25 3.235 8.586 -3.804 1.00 0.00 H new ATOM 342 N ALA A 26 1.411 12.218 -8.095 1.00 0.00 N ATOM 343 CA ALA A 26 1.942 12.950 -9.233 1.00 0.00 C ATOM 344 C ALA A 26 1.119 14.223 -9.443 1.00 0.00 C ATOM 345 O ALA A 26 1.487 15.078 -10.247 1.00 0.00 O ATOM 346 CB ALA A 26 1.943 12.046 -10.467 1.00 0.00 C ATOM 0 H ALA A 26 0.757 11.473 -8.335 1.00 0.00 H new ATOM 0 HA ALA A 26 2.974 13.250 -9.049 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.341 12.595 -11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.565 11.171 -10.277 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.924 11.727 -10.685 1.00 0.00 H new ATOM 352 N ARG A 27 0.021 14.308 -8.707 1.00 0.00 N ATOM 353 CA ARG A 27 -0.857 15.462 -8.803 1.00 0.00 C ATOM 354 C ARG A 27 -0.623 16.406 -7.622 1.00 0.00 C ATOM 355 O ARG A 27 -0.955 17.588 -7.692 1.00 0.00 O ATOM 356 CB ARG A 27 -2.326 15.036 -8.824 1.00 0.00 C ATOM 357 CG ARG A 27 -2.837 14.901 -10.259 1.00 0.00 C ATOM 358 CD ARG A 27 -4.334 15.206 -10.339 1.00 0.00 C ATOM 359 NE ARG A 27 -4.936 14.492 -11.488 1.00 0.00 N ATOM 360 CZ ARG A 27 -6.203 14.652 -11.892 1.00 0.00 C ATOM 361 NH1 ARG A 27 -7.011 15.502 -11.243 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.663 13.962 -12.944 1.00 0.00 N ATOM 0 H ARG A 27 -0.281 13.597 -8.041 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.627 15.977 -9.736 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.440 14.086 -8.303 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.929 15.769 -8.287 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.288 15.582 -10.910 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.648 13.891 -10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.825 14.903 -9.414 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.490 16.280 -10.446 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.349 13.837 -12.004 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.661 16.027 -10.442 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.976 15.624 -11.551 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.048 13.315 -13.438 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.628 14.084 -13.251 1.00 0.00 H new ATOM 376 N VAL A 28 -0.054 15.848 -6.563 1.00 0.00 N ATOM 377 CA VAL A 28 0.227 16.626 -5.368 1.00 0.00 C ATOM 378 C VAL A 28 1.028 17.871 -5.752 1.00 0.00 C ATOM 379 O VAL A 28 0.668 18.986 -5.378 1.00 0.00 O ATOM 380 CB VAL A 28 0.939 15.753 -4.332 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.086 16.517 -3.668 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.048 15.228 -3.287 1.00 0.00 C ATOM 0 H VAL A 28 0.220 14.867 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.700 16.966 -4.906 1.00 0.00 H new ATOM 0 HB VAL A 28 1.365 14.895 -4.852 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.576 15.875 -2.936 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.808 16.820 -4.426 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.692 17.402 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.483 14.611 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.516 16.068 -2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.815 14.631 -3.779 1.00 0.00 H new ATOM 392 N PRO A 29 2.129 17.634 -6.515 1.00 0.00 N ATOM 393 CA PRO A 29 2.984 18.724 -6.954 1.00 0.00 C ATOM 394 C PRO A 29 2.327 19.514 -8.087 1.00 0.00 C ATOM 395 O PRO A 29 2.908 20.469 -8.601 1.00 0.00 O ATOM 396 CB PRO A 29 4.286 18.058 -7.371 1.00 0.00 C ATOM 397 CG PRO A 29 3.953 16.592 -7.589 1.00 0.00 C ATOM 398 CD PRO A 29 2.587 16.327 -6.977 1.00 0.00 C ATOM 0 HA PRO A 29 3.162 19.461 -6.171 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.681 18.508 -8.282 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.049 18.175 -6.601 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.946 16.356 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.708 15.956 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.900 15.903 -7.710 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.653 15.616 -6.153 1.00 0.00 H new ATOM 406 N ARG A 30 1.125 19.086 -8.444 1.00 0.00 N ATOM 407 CA ARG A 30 0.383 19.742 -9.507 1.00 0.00 C ATOM 408 C ARG A 30 -0.979 20.213 -8.991 1.00 0.00 C ATOM 409 O ARG A 30 -1.827 20.643 -9.772 1.00 0.00 O ATOM 410 CB ARG A 30 0.172 18.800 -10.694 1.00 0.00 C ATOM 411 CG ARG A 30 1.455 18.661 -11.518 1.00 0.00 C ATOM 412 CD ARG A 30 1.306 17.575 -12.584 1.00 0.00 C ATOM 413 NE ARG A 30 2.640 17.161 -13.075 1.00 0.00 N ATOM 414 CZ ARG A 30 2.854 16.099 -13.864 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.824 15.338 -14.257 1.00 0.00 N ATOM 416 NH2 ARG A 30 4.098 15.799 -14.260 1.00 0.00 N ATOM 0 H ARG A 30 0.647 18.293 -8.016 1.00 0.00 H new ATOM 0 HA ARG A 30 0.967 20.600 -9.838 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.141 17.820 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.631 19.179 -11.326 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.691 19.613 -11.994 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.290 18.418 -10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.780 16.716 -12.168 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.704 17.947 -13.413 1.00 0.00 H new ATOM 0 HE ARG A 30 3.447 17.719 -12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.877 15.567 -13.956 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.987 14.530 -14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.882 16.379 -13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.261 14.991 -14.860 1.00 0.00 H new ATOM 430 N LEU A 31 -1.145 20.116 -7.680 1.00 0.00 N ATOM 431 CA LEU A 31 -2.389 20.527 -7.052 1.00 0.00 C ATOM 432 C LEU A 31 -2.149 21.805 -6.244 1.00 0.00 C ATOM 433 O LEU A 31 -1.032 22.061 -5.798 1.00 0.00 O ATOM 434 CB LEU A 31 -2.977 19.380 -6.227 1.00 0.00 C ATOM 435 CG LEU A 31 -3.707 18.292 -7.017 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.877 17.025 -6.177 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.044 18.808 -7.553 1.00 0.00 C ATOM 0 H LEU A 31 -0.439 19.759 -7.036 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.138 20.762 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.169 18.912 -5.664 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.671 19.801 -5.499 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.095 18.027 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.399 16.268 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.897 16.647 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.457 17.256 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.543 18.015 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.675 19.118 -6.720 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.868 19.659 -8.211 1.00 0.00 H new ATOM 449 N PRO A 32 -3.245 22.593 -6.078 1.00 0.00 N ATOM 450 CA PRO A 32 -3.165 23.838 -5.333 1.00 0.00 C ATOM 451 C PRO A 32 -3.085 23.572 -3.828 1.00 0.00 C ATOM 452 O PRO A 32 -3.224 22.432 -3.387 1.00 0.00 O ATOM 453 CB PRO A 32 -4.408 24.616 -5.733 1.00 0.00 C ATOM 454 CG PRO A 32 -5.367 23.596 -6.323 1.00 0.00 C ATOM 455 CD PRO A 32 -4.584 22.322 -6.593 1.00 0.00 C ATOM 0 HA PRO A 32 -2.264 24.408 -5.561 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.851 25.115 -4.871 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.166 25.391 -6.460 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.188 23.400 -5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.808 23.975 -7.245 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.035 21.466 -6.091 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.559 22.091 -7.658 1.00 0.00 H new ATOM 463 N PRO A 33 -2.856 24.671 -3.061 1.00 0.00 N ATOM 464 CA PRO A 33 -2.756 24.568 -1.615 1.00 0.00 C ATOM 465 C PRO A 33 -4.135 24.372 -0.983 1.00 0.00 C ATOM 466 O PRO A 33 -4.257 24.296 0.239 1.00 0.00 O ATOM 467 CB PRO A 33 -2.078 25.855 -1.175 1.00 0.00 C ATOM 468 CG PRO A 33 -2.243 26.830 -2.330 1.00 0.00 C ATOM 469 CD PRO A 33 -2.686 26.037 -3.549 1.00 0.00 C ATOM 0 HA PRO A 33 -2.180 23.700 -1.294 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.535 26.246 -0.266 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.024 25.685 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.980 27.594 -2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.304 27.346 -2.531 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.616 26.429 -3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.942 26.084 -4.344 1.00 0.00 H new ATOM 477 N ASP A 34 -5.140 24.296 -1.843 1.00 0.00 N ATOM 478 CA ASP A 34 -6.506 24.110 -1.384 1.00 0.00 C ATOM 479 C ASP A 34 -6.864 22.624 -1.448 1.00 0.00 C ATOM 480 O ASP A 34 -7.542 22.106 -0.562 1.00 0.00 O ATOM 481 CB ASP A 34 -7.493 24.873 -2.270 1.00 0.00 C ATOM 482 CG ASP A 34 -7.786 26.308 -1.826 1.00 0.00 C ATOM 483 OD1 ASP A 34 -8.644 26.461 -0.931 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.144 27.219 -2.393 1.00 0.00 O ATOM 0 H ASP A 34 -5.035 24.360 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.573 24.486 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.102 24.896 -3.287 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.432 24.320 -2.302 1.00 0.00 H new ATOM 489 N GLU A 35 -6.391 21.980 -2.506 1.00 0.00 N ATOM 490 CA GLU A 35 -6.653 20.563 -2.697 1.00 0.00 C ATOM 491 C GLU A 35 -5.450 19.735 -2.241 1.00 0.00 C ATOM 492 O GLU A 35 -5.605 18.594 -1.810 1.00 0.00 O ATOM 493 CB GLU A 35 -7.004 20.263 -4.155 1.00 0.00 C ATOM 494 CG GLU A 35 -8.188 21.113 -4.621 1.00 0.00 C ATOM 495 CD GLU A 35 -9.499 20.605 -4.018 1.00 0.00 C ATOM 496 OE1 GLU A 35 -10.071 19.667 -4.614 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.899 21.165 -2.975 1.00 0.00 O ATOM 0 H GLU A 35 -5.829 22.413 -3.239 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.512 20.286 -2.086 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.139 20.460 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.246 19.206 -4.264 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.030 22.152 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.251 21.090 -5.709 1.00 0.00 H new ATOM 504 N LYS A 36 -4.278 20.343 -2.351 1.00 0.00 N ATOM 505 CA LYS A 36 -3.049 19.676 -1.955 1.00 0.00 C ATOM 506 C LYS A 36 -3.131 19.302 -0.474 1.00 0.00 C ATOM 507 O LYS A 36 -3.006 18.131 -0.117 1.00 0.00 O ATOM 508 CB LYS A 36 -1.835 20.538 -2.305 1.00 0.00 C ATOM 509 CG LYS A 36 -0.533 19.842 -1.899 1.00 0.00 C ATOM 510 CD LYS A 36 0.671 20.488 -2.588 1.00 0.00 C ATOM 511 CE LYS A 36 1.981 19.871 -2.093 1.00 0.00 C ATOM 512 NZ LYS A 36 2.934 20.930 -1.693 1.00 0.00 N ATOM 0 H LYS A 36 -4.153 21.290 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.923 18.748 -2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.825 20.740 -3.376 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.910 21.501 -1.799 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.410 19.896 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.584 18.785 -2.162 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.589 20.360 -3.667 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.674 21.561 -2.394 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.783 19.213 -1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.420 19.256 -2.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.830 20.495 -1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.110 21.562 -2.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.533 21.478 -0.905 1.00 0.00 H new ATOM 526 N LYS A 37 -3.342 20.318 0.350 1.00 0.00 N ATOM 527 CA LYS A 37 -3.442 20.111 1.784 1.00 0.00 C ATOM 528 C LYS A 37 -4.244 18.836 2.056 1.00 0.00 C ATOM 529 O LYS A 37 -3.772 17.938 2.752 1.00 0.00 O ATOM 530 CB LYS A 37 -4.015 21.355 2.467 1.00 0.00 C ATOM 531 CG LYS A 37 -3.082 21.852 3.573 1.00 0.00 C ATOM 532 CD LYS A 37 -3.050 23.381 3.617 1.00 0.00 C ATOM 533 CE LYS A 37 -2.801 23.883 5.040 1.00 0.00 C ATOM 534 NZ LYS A 37 -1.382 23.696 5.415 1.00 0.00 N ATOM 0 H LYS A 37 -3.446 21.288 0.051 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.453 19.965 2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.163 22.144 1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.994 21.125 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.414 21.464 4.536 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.076 21.468 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.267 23.751 2.955 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.995 23.779 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.066 24.938 5.111 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.442 23.345 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.230 24.042 6.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.140 22.686 5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.776 24.229 4.758 1.00 0.00 H new ATOM 548 N GLN A 38 -5.443 18.798 1.493 1.00 0.00 N ATOM 549 CA GLN A 38 -6.314 17.648 1.666 1.00 0.00 C ATOM 550 C GLN A 38 -5.724 16.424 0.964 1.00 0.00 C ATOM 551 O GLN A 38 -5.641 15.347 1.552 1.00 0.00 O ATOM 552 CB GLN A 38 -7.724 17.947 1.153 1.00 0.00 C ATOM 553 CG GLN A 38 -8.270 19.237 1.770 1.00 0.00 C ATOM 554 CD GLN A 38 -8.486 19.076 3.276 1.00 0.00 C ATOM 555 OE1 GLN A 38 -9.277 18.268 3.733 1.00 0.00 O ATOM 556 NE2 GLN A 38 -7.740 19.889 4.019 1.00 0.00 N ATOM 0 H GLN A 38 -5.831 19.545 0.917 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.388 17.430 2.731 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.708 18.037 0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.386 17.116 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.575 20.056 1.584 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.212 19.503 1.290 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.097 20.542 3.572 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -7.811 19.859 5.036 1.00 0.00 H new ATOM 565 N MET A 39 -5.328 16.630 -0.284 1.00 0.00 N ATOM 566 CA MET A 39 -4.747 15.557 -1.072 1.00 0.00 C ATOM 567 C MET A 39 -3.602 14.880 -0.317 1.00 0.00 C ATOM 568 O MET A 39 -3.613 13.665 -0.124 1.00 0.00 O ATOM 569 CB MET A 39 -4.224 16.120 -2.395 1.00 0.00 C ATOM 570 CG MET A 39 -3.608 15.015 -3.256 1.00 0.00 C ATOM 571 SD MET A 39 -4.776 13.682 -3.465 1.00 0.00 S ATOM 572 CE MET A 39 -5.566 14.196 -4.980 1.00 0.00 C ATOM 0 H MET A 39 -5.398 17.525 -0.769 1.00 0.00 H new ATOM 0 HA MET A 39 -5.520 14.813 -1.264 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.039 16.598 -2.939 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.478 16.890 -2.197 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.324 15.416 -4.229 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.698 14.642 -2.787 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.498 13.646 -5.109 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.778 15.264 -4.936 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.905 13.992 -5.822 1.00 0.00 H new ATOM 582 N VAL A 40 -2.640 15.695 0.090 1.00 0.00 N ATOM 583 CA VAL A 40 -1.490 15.190 0.820 1.00 0.00 C ATOM 584 C VAL A 40 -1.970 14.311 1.976 1.00 0.00 C ATOM 585 O VAL A 40 -1.242 13.433 2.437 1.00 0.00 O ATOM 586 CB VAL A 40 -0.609 16.354 1.279 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.441 15.883 2.287 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.049 17.048 0.085 1.00 0.00 C ATOM 0 H VAL A 40 -2.634 16.702 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.871 14.567 0.174 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.249 17.082 1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.054 16.730 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.056 15.457 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.075 15.126 1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.669 17.871 0.439 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.669 16.333 -0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.722 17.435 -0.581 1.00 0.00 H new ATOM 598 N ALA A 41 -3.193 14.578 2.411 1.00 0.00 N ATOM 599 CA ALA A 41 -3.779 13.822 3.505 1.00 0.00 C ATOM 600 C ALA A 41 -4.563 12.637 2.938 1.00 0.00 C ATOM 601 O ALA A 41 -4.509 11.535 3.481 1.00 0.00 O ATOM 602 CB ALA A 41 -4.654 14.747 4.354 1.00 0.00 C ATOM 0 H ALA A 41 -3.794 15.307 2.026 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.001 13.422 4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.094 14.180 5.175 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.044 15.556 4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.448 15.165 3.736 1.00 0.00 H new ATOM 608 N ASN A 42 -5.274 12.904 1.852 1.00 0.00 N ATOM 609 CA ASN A 42 -6.068 11.873 1.205 1.00 0.00 C ATOM 610 C ASN A 42 -5.165 10.693 0.840 1.00 0.00 C ATOM 611 O ASN A 42 -5.599 9.542 0.871 1.00 0.00 O ATOM 612 CB ASN A 42 -6.705 12.397 -0.084 1.00 0.00 C ATOM 613 CG ASN A 42 -7.811 11.458 -0.570 1.00 0.00 C ATOM 614 OD1 ASN A 42 -7.577 10.317 -0.933 1.00 0.00 O ATOM 615 ND2 ASN A 42 -9.025 12.000 -0.556 1.00 0.00 N ATOM 0 H ASN A 42 -5.317 13.819 1.404 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.852 11.567 1.897 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.117 13.391 0.088 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.942 12.497 -0.856 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.831 11.454 -0.861 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.151 12.962 -0.240 1.00 0.00 H new ATOM 622 N VAL A 43 -3.925 11.019 0.504 1.00 0.00 N ATOM 623 CA VAL A 43 -2.958 10.000 0.135 1.00 0.00 C ATOM 624 C VAL A 43 -2.476 9.279 1.396 1.00 0.00 C ATOM 625 O VAL A 43 -2.347 8.056 1.404 1.00 0.00 O ATOM 626 CB VAL A 43 -1.816 10.629 -0.666 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.593 9.710 -0.693 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.270 10.979 -2.085 1.00 0.00 C ATOM 0 H VAL A 43 -3.568 11.974 0.480 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.419 9.253 -0.511 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.528 11.555 -0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.204 10.181 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.248 9.533 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.862 8.760 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.440 11.424 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.598 10.074 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.096 11.689 -2.038 1.00 0.00 H new ATOM 638 N GLU A 44 -2.224 10.067 2.430 1.00 0.00 N ATOM 639 CA GLU A 44 -1.760 9.519 3.693 1.00 0.00 C ATOM 640 C GLU A 44 -2.642 8.343 4.117 1.00 0.00 C ATOM 641 O GLU A 44 -2.165 7.400 4.746 1.00 0.00 O ATOM 642 CB GLU A 44 -1.725 10.597 4.779 1.00 0.00 C ATOM 643 CG GLU A 44 -0.515 11.517 4.598 1.00 0.00 C ATOM 644 CD GLU A 44 0.332 11.565 5.871 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.690 10.470 6.356 1.00 0.00 O ATOM 646 OE2 GLU A 44 0.602 12.696 6.331 1.00 0.00 O ATOM 0 H GLU A 44 -2.332 11.081 2.419 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.742 9.154 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.642 11.185 4.743 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.686 10.127 5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.093 11.164 3.765 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.852 12.522 4.343 1.00 0.00 H new ATOM 653 N LYS A 45 -3.914 8.438 3.756 1.00 0.00 N ATOM 654 CA LYS A 45 -4.866 7.393 4.091 1.00 0.00 C ATOM 655 C LYS A 45 -4.707 6.229 3.111 1.00 0.00 C ATOM 656 O LYS A 45 -4.245 5.154 3.488 1.00 0.00 O ATOM 657 CB LYS A 45 -6.286 7.961 4.146 1.00 0.00 C ATOM 658 CG LYS A 45 -6.988 7.556 5.444 1.00 0.00 C ATOM 659 CD LYS A 45 -6.282 8.159 6.660 1.00 0.00 C ATOM 660 CE LYS A 45 -7.236 9.044 7.466 1.00 0.00 C ATOM 661 NZ LYS A 45 -7.120 10.456 7.038 1.00 0.00 N ATOM 0 H LYS A 45 -4.307 9.222 3.235 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.665 7.000 5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.250 9.048 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.859 7.602 3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.026 7.889 5.420 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.003 6.469 5.530 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.898 7.361 7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.424 8.747 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.262 8.700 7.331 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.009 8.960 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.774 11.042 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.145 10.786 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -7.359 10.534 6.029 1.00 0.00 H new ATOM 675 N GLN A 46 -5.099 6.484 1.871 1.00 0.00 N ATOM 676 CA GLN A 46 -5.005 5.471 0.833 1.00 0.00 C ATOM 677 C GLN A 46 -3.714 4.665 0.994 1.00 0.00 C ATOM 678 O GLN A 46 -3.685 3.470 0.705 1.00 0.00 O ATOM 679 CB GLN A 46 -5.088 6.102 -0.558 1.00 0.00 C ATOM 680 CG GLN A 46 -6.451 6.762 -0.780 1.00 0.00 C ATOM 681 CD GLN A 46 -7.563 5.713 -0.848 1.00 0.00 C ATOM 682 OE1 GLN A 46 -7.964 5.264 -1.910 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.037 5.349 0.340 1.00 0.00 N ATOM 0 H GLN A 46 -5.482 7.377 1.562 1.00 0.00 H new ATOM 0 HA GLN A 46 -5.850 4.791 0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.298 6.844 -0.673 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -4.921 5.339 -1.318 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.656 7.463 0.029 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.433 7.339 -1.704 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.656 5.765 1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.781 4.654 0.401 1.00 0.00 H new ATOM 692 N LEU A 47 -2.679 5.352 1.453 1.00 0.00 N ATOM 693 CA LEU A 47 -1.388 4.715 1.655 1.00 0.00 C ATOM 694 C LEU A 47 -1.477 3.761 2.848 1.00 0.00 C ATOM 695 O LEU A 47 -1.294 2.554 2.697 1.00 0.00 O ATOM 696 CB LEU A 47 -0.286 5.768 1.790 1.00 0.00 C ATOM 697 CG LEU A 47 0.169 6.432 0.489 1.00 0.00 C ATOM 698 CD1 LEU A 47 1.004 7.682 0.775 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.913 5.438 -0.404 1.00 0.00 C ATOM 0 H LEU A 47 -2.707 6.343 1.691 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.118 4.115 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.635 6.546 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.580 5.301 2.259 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.717 6.754 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.315 8.135 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.407 8.396 1.342 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.886 7.406 1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.225 5.936 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.791 5.063 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.254 4.605 -0.649 1.00 0.00 H new ATOM 711 N GLU A 48 -1.757 4.338 4.007 1.00 0.00 N ATOM 712 CA GLU A 48 -1.871 3.554 5.225 1.00 0.00 C ATOM 713 C GLU A 48 -2.875 2.416 5.031 1.00 0.00 C ATOM 714 O GLU A 48 -2.814 1.404 5.728 1.00 0.00 O ATOM 715 CB GLU A 48 -2.266 4.437 6.410 1.00 0.00 C ATOM 716 CG GLU A 48 -3.786 4.490 6.573 1.00 0.00 C ATOM 717 CD GLU A 48 -4.182 5.387 7.747 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.478 6.401 7.949 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.178 5.040 8.417 1.00 0.00 O ATOM 0 H GLU A 48 -1.908 5.339 4.129 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.896 3.119 5.447 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.812 4.051 7.323 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.877 5.445 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.241 4.864 5.656 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.173 3.484 6.733 1.00 0.00 H new ATOM 726 N GLU A 49 -3.776 2.620 4.082 1.00 0.00 N ATOM 727 CA GLU A 49 -4.792 1.623 3.788 1.00 0.00 C ATOM 728 C GLU A 49 -4.171 0.433 3.054 1.00 0.00 C ATOM 729 O GLU A 49 -4.289 -0.707 3.502 1.00 0.00 O ATOM 730 CB GLU A 49 -5.937 2.231 2.975 1.00 0.00 C ATOM 731 CG GLU A 49 -6.723 3.246 3.809 1.00 0.00 C ATOM 732 CD GLU A 49 -7.033 2.690 5.200 1.00 0.00 C ATOM 733 OE1 GLU A 49 -7.482 1.525 5.259 1.00 0.00 O ATOM 734 OE2 GLU A 49 -6.813 3.442 6.174 1.00 0.00 O ATOM 0 H GLU A 49 -3.824 3.461 3.506 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.208 1.267 4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.538 2.718 2.085 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.605 1.440 2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.149 4.168 3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.653 3.499 3.299 1.00 0.00 H new ATOM 741 N ALA A 50 -3.524 0.738 1.939 1.00 0.00 N ATOM 742 CA ALA A 50 -2.884 -0.292 1.139 1.00 0.00 C ATOM 743 C ALA A 50 -1.802 -0.982 1.974 1.00 0.00 C ATOM 744 O ALA A 50 -1.436 -2.124 1.700 1.00 0.00 O ATOM 745 CB ALA A 50 -2.324 0.329 -0.142 1.00 0.00 C ATOM 0 H ALA A 50 -3.429 1.684 1.571 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.607 -1.052 0.843 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.844 -0.444 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.136 0.779 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.593 1.095 0.115 1.00 0.00 H new ATOM 751 N ARG A 51 -1.322 -0.259 2.975 1.00 0.00 N ATOM 752 CA ARG A 51 -0.289 -0.786 3.851 1.00 0.00 C ATOM 753 C ARG A 51 -0.785 -2.052 4.553 1.00 0.00 C ATOM 754 O ARG A 51 -0.231 -3.133 4.356 1.00 0.00 O ATOM 755 CB ARG A 51 0.120 0.246 4.904 1.00 0.00 C ATOM 756 CG ARG A 51 1.021 1.322 4.295 1.00 0.00 C ATOM 757 CD ARG A 51 2.108 1.750 5.283 1.00 0.00 C ATOM 758 NE ARG A 51 1.778 3.073 5.858 1.00 0.00 N ATOM 759 CZ ARG A 51 0.994 3.252 6.930 1.00 0.00 C ATOM 760 NH1 ARG A 51 0.455 2.193 7.550 1.00 0.00 N ATOM 761 NH2 ARG A 51 0.749 4.489 7.382 1.00 0.00 N ATOM 0 H ARG A 51 -1.629 0.687 3.199 1.00 0.00 H new ATOM 0 HA ARG A 51 0.579 -1.023 3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.770 0.710 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.642 -0.251 5.722 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.482 0.942 3.383 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.421 2.187 4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.199 1.011 6.079 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.073 1.794 4.778 1.00 0.00 H new ATOM 0 HE ARG A 51 2.172 3.901 5.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.642 1.251 7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.142 2.329 8.366 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.159 5.295 6.910 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.152 4.625 8.198 1.00 0.00 H new ATOM 775 N GLU A 52 -1.823 -1.876 5.357 1.00 0.00 N ATOM 776 CA GLU A 52 -2.399 -2.991 6.090 1.00 0.00 C ATOM 777 C GLU A 52 -2.550 -4.207 5.173 1.00 0.00 C ATOM 778 O GLU A 52 -2.310 -5.338 5.593 1.00 0.00 O ATOM 779 CB GLU A 52 -3.742 -2.603 6.711 1.00 0.00 C ATOM 780 CG GLU A 52 -4.892 -2.857 5.735 1.00 0.00 C ATOM 781 CD GLU A 52 -6.180 -2.185 6.216 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.743 -2.686 7.213 1.00 0.00 O ATOM 783 OE2 GLU A 52 -6.571 -1.185 5.577 1.00 0.00 O ATOM 0 H GLU A 52 -2.280 -0.978 5.517 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.723 -3.255 6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.903 -3.175 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.726 -1.550 6.993 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.626 -2.477 4.748 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.055 -3.930 5.631 1.00 0.00 H new ATOM 790 N LEU A 53 -2.947 -3.932 3.940 1.00 0.00 N ATOM 791 CA LEU A 53 -3.133 -4.990 2.961 1.00 0.00 C ATOM 792 C LEU A 53 -1.869 -5.850 2.900 1.00 0.00 C ATOM 793 O LEU A 53 -1.909 -7.041 3.207 1.00 0.00 O ATOM 794 CB LEU A 53 -3.542 -4.402 1.608 1.00 0.00 C ATOM 795 CG LEU A 53 -5.028 -4.497 1.258 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.555 -3.159 0.737 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.287 -5.638 0.272 1.00 0.00 C ATOM 0 H LEU A 53 -3.145 -2.992 3.596 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.951 -5.645 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.251 -3.352 1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.972 -4.906 0.828 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.580 -4.727 2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.614 -3.254 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.425 -2.394 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.003 -2.874 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.351 -5.684 0.040 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.723 -5.462 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.972 -6.582 0.717 1.00 0.00 H new ATOM 809 N LEU A 54 -0.777 -5.214 2.502 1.00 0.00 N ATOM 810 CA LEU A 54 0.496 -5.907 2.397 1.00 0.00 C ATOM 811 C LEU A 54 0.676 -6.821 3.611 1.00 0.00 C ATOM 812 O LEU A 54 1.226 -7.915 3.493 1.00 0.00 O ATOM 813 CB LEU A 54 1.637 -4.906 2.207 1.00 0.00 C ATOM 814 CG LEU A 54 1.600 -4.084 0.917 1.00 0.00 C ATOM 815 CD1 LEU A 54 3.014 -3.757 0.434 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.776 -4.792 -0.160 1.00 0.00 C ATOM 0 H LEU A 54 -0.747 -4.226 2.248 1.00 0.00 H new ATOM 0 HA LEU A 54 0.511 -6.544 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.635 -4.218 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.581 -5.450 2.241 1.00 0.00 H new ATOM 0 HG LEU A 54 1.106 -3.136 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.959 -3.172 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.536 -3.182 1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.556 -4.683 0.242 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.766 -4.187 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.219 -5.764 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.245 -4.931 0.195 1.00 0.00 H new ATOM 828 N GLU A 55 0.202 -6.338 4.750 1.00 0.00 N ATOM 829 CA GLU A 55 0.303 -7.098 5.985 1.00 0.00 C ATOM 830 C GLU A 55 -0.515 -8.387 5.884 1.00 0.00 C ATOM 831 O GLU A 55 0.015 -9.480 6.079 1.00 0.00 O ATOM 832 CB GLU A 55 -0.142 -6.258 7.184 1.00 0.00 C ATOM 833 CG GLU A 55 0.996 -6.098 8.194 1.00 0.00 C ATOM 834 CD GLU A 55 0.501 -6.346 9.621 1.00 0.00 C ATOM 835 OE1 GLU A 55 -0.423 -7.175 9.765 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.059 -5.700 10.535 1.00 0.00 O ATOM 0 H GLU A 55 -0.253 -5.430 4.844 1.00 0.00 H new ATOM 0 HA GLU A 55 1.348 -7.366 6.139 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.471 -5.276 6.843 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.997 -6.731 7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.798 -6.797 7.957 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.415 -5.094 8.120 1.00 0.00 H new ATOM 843 N GLN A 56 -1.793 -8.216 5.579 1.00 0.00 N ATOM 844 CA GLN A 56 -2.690 -9.352 5.450 1.00 0.00 C ATOM 845 C GLN A 56 -2.264 -10.234 4.274 1.00 0.00 C ATOM 846 O GLN A 56 -2.256 -11.459 4.384 1.00 0.00 O ATOM 847 CB GLN A 56 -4.140 -8.891 5.292 1.00 0.00 C ATOM 848 CG GLN A 56 -4.721 -8.438 6.633 1.00 0.00 C ATOM 849 CD GLN A 56 -5.940 -9.280 7.014 1.00 0.00 C ATOM 850 OE1 GLN A 56 -7.031 -9.111 6.495 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.696 -10.195 7.949 1.00 0.00 N ATOM 0 H GLN A 56 -2.229 -7.308 5.417 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.629 -9.943 6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.189 -8.071 4.575 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.742 -9.705 4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.960 -8.520 7.409 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.004 -7.387 6.574 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.759 -10.285 8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.446 -10.807 8.272 1.00 0.00 H new ATOM 860 N MET A 57 -1.920 -9.576 3.177 1.00 0.00 N ATOM 861 CA MET A 57 -1.494 -10.284 1.982 1.00 0.00 C ATOM 862 C MET A 57 -0.235 -11.111 2.255 1.00 0.00 C ATOM 863 O MET A 57 -0.113 -12.238 1.777 1.00 0.00 O ATOM 864 CB MET A 57 -1.212 -9.278 0.865 1.00 0.00 C ATOM 865 CG MET A 57 -2.505 -8.616 0.385 1.00 0.00 C ATOM 866 SD MET A 57 -2.311 -8.042 -1.294 1.00 0.00 S ATOM 867 CE MET A 57 -1.689 -6.397 -0.990 1.00 0.00 C ATOM 0 H MET A 57 -1.928 -8.560 3.091 1.00 0.00 H new ATOM 0 HA MET A 57 -2.293 -10.961 1.679 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.520 -8.516 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.726 -9.783 0.030 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.330 -9.326 0.442 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.759 -7.780 1.037 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.478 -5.669 -1.178 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.362 -6.318 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.847 -6.198 -1.653 1.00 0.00 H new ATOM 877 N ASP A 58 0.669 -10.518 3.021 1.00 0.00 N ATOM 878 CA ASP A 58 1.914 -11.185 3.362 1.00 0.00 C ATOM 879 C ASP A 58 1.650 -12.216 4.462 1.00 0.00 C ATOM 880 O ASP A 58 2.276 -13.274 4.489 1.00 0.00 O ATOM 881 CB ASP A 58 2.947 -10.187 3.888 1.00 0.00 C ATOM 882 CG ASP A 58 4.383 -10.713 3.946 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.576 -11.764 4.596 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.254 -10.053 3.340 1.00 0.00 O ATOM 0 H ASP A 58 0.564 -9.583 3.415 1.00 0.00 H new ATOM 0 HA ASP A 58 2.299 -11.662 2.461 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.927 -9.299 3.256 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.650 -9.873 4.889 1.00 0.00 H new ATOM 889 N LEU A 59 0.722 -11.870 5.343 1.00 0.00 N ATOM 890 CA LEU A 59 0.368 -12.752 6.442 1.00 0.00 C ATOM 891 C LEU A 59 -0.474 -13.913 5.908 1.00 0.00 C ATOM 892 O LEU A 59 -0.828 -14.823 6.655 1.00 0.00 O ATOM 893 CB LEU A 59 -0.312 -11.964 7.563 1.00 0.00 C ATOM 894 CG LEU A 59 0.621 -11.242 8.537 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.146 -10.214 9.371 1.00 0.00 C ATOM 896 CD2 LEU A 59 1.379 -12.241 9.414 1.00 0.00 C ATOM 0 H LEU A 59 0.205 -10.991 5.318 1.00 0.00 H new ATOM 0 HA LEU A 59 1.264 -13.186 6.886 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.975 -11.226 7.111 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.940 -12.649 8.133 1.00 0.00 H new ATOM 0 HG LEU A 59 1.364 -10.696 7.956 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.541 -9.715 10.055 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.600 -9.476 8.710 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.925 -10.718 9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.035 -11.701 10.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.667 -12.835 9.988 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.975 -12.900 8.783 1.00 0.00 H new ATOM 908 N GLU A 60 -0.770 -13.842 4.618 1.00 0.00 N ATOM 909 CA GLU A 60 -1.564 -14.876 3.975 1.00 0.00 C ATOM 910 C GLU A 60 -0.691 -15.704 3.030 1.00 0.00 C ATOM 911 O GLU A 60 -0.703 -16.933 3.086 1.00 0.00 O ATOM 912 CB GLU A 60 -2.755 -14.269 3.232 1.00 0.00 C ATOM 913 CG GLU A 60 -3.836 -13.807 4.211 1.00 0.00 C ATOM 914 CD GLU A 60 -5.043 -14.747 4.179 1.00 0.00 C ATOM 915 OE1 GLU A 60 -4.807 -15.972 4.101 1.00 0.00 O ATOM 916 OE2 GLU A 60 -6.175 -14.219 4.233 1.00 0.00 O ATOM 0 H GLU A 60 -0.475 -13.085 4.001 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.958 -15.538 4.746 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.420 -13.424 2.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.173 -15.005 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.426 -13.770 5.220 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.152 -12.795 3.958 1.00 0.00 H new ATOM 923 N VAL A 61 0.044 -14.998 2.184 1.00 0.00 N ATOM 924 CA VAL A 61 0.921 -15.653 1.228 1.00 0.00 C ATOM 925 C VAL A 61 1.826 -16.641 1.966 1.00 0.00 C ATOM 926 O VAL A 61 2.330 -17.591 1.370 1.00 0.00 O ATOM 927 CB VAL A 61 1.702 -14.605 0.432 1.00 0.00 C ATOM 928 CG1 VAL A 61 3.130 -15.081 0.154 1.00 0.00 C ATOM 929 CG2 VAL A 61 0.978 -14.254 -0.869 1.00 0.00 C ATOM 0 H VAL A 61 0.051 -13.979 2.140 1.00 0.00 H new ATOM 0 HA VAL A 61 0.339 -16.224 0.504 1.00 0.00 H new ATOM 0 HB VAL A 61 1.762 -13.700 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.664 -14.318 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.645 -15.258 1.098 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.100 -16.006 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.554 -13.507 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.873 -15.150 -1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.010 -13.854 -0.639 1.00 0.00 H new ATOM 939 N ARG A 62 2.005 -16.382 3.253 1.00 0.00 N ATOM 940 CA ARG A 62 2.841 -17.236 4.079 1.00 0.00 C ATOM 941 C ARG A 62 2.273 -18.657 4.118 1.00 0.00 C ATOM 942 O ARG A 62 3.000 -19.626 3.902 1.00 0.00 O ATOM 943 CB ARG A 62 2.942 -16.695 5.507 1.00 0.00 C ATOM 944 CG ARG A 62 4.046 -15.642 5.617 1.00 0.00 C ATOM 945 CD ARG A 62 4.901 -15.873 6.865 1.00 0.00 C ATOM 946 NE ARG A 62 5.998 -16.818 6.558 1.00 0.00 N ATOM 947 CZ ARG A 62 5.977 -18.121 6.872 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.916 -18.641 7.502 1.00 0.00 N ATOM 949 NH2 ARG A 62 7.018 -18.903 6.554 1.00 0.00 N ATOM 0 H ARG A 62 1.585 -15.593 3.744 1.00 0.00 H new ATOM 0 HA ARG A 62 3.838 -17.251 3.638 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.988 -16.259 5.803 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.146 -17.514 6.197 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.676 -15.676 4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.602 -14.647 5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.313 -14.926 7.215 1.00 0.00 H new ATOM 0 HD3 ARG A 62 4.283 -16.269 7.671 1.00 0.00 H new ATOM 0 HE ARG A 62 6.821 -16.455 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.124 -18.046 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.900 -19.633 7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.826 -18.507 6.073 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.003 -19.895 6.793 1.00 0.00 H new ATOM 963 N GLU A 63 0.980 -18.735 4.396 1.00 0.00 N ATOM 964 CA GLU A 63 0.307 -20.021 4.466 1.00 0.00 C ATOM 965 C GLU A 63 0.228 -20.655 3.076 1.00 0.00 C ATOM 966 O GLU A 63 0.195 -21.878 2.950 1.00 0.00 O ATOM 967 CB GLU A 63 -1.086 -19.877 5.083 1.00 0.00 C ATOM 968 CG GLU A 63 -2.125 -19.527 4.016 1.00 0.00 C ATOM 969 CD GLU A 63 -3.325 -18.807 4.634 1.00 0.00 C ATOM 970 OE1 GLU A 63 -3.080 -17.848 5.397 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.461 -19.232 4.329 1.00 0.00 O ATOM 0 H GLU A 63 0.381 -17.929 4.575 1.00 0.00 H new ATOM 0 HA GLU A 63 0.889 -20.679 5.111 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.366 -20.807 5.577 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.070 -19.101 5.848 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.670 -18.894 3.254 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.460 -20.437 3.517 1.00 0.00 H new ATOM 978 N ILE A 64 0.201 -19.796 2.069 1.00 0.00 N ATOM 979 CA ILE A 64 0.126 -20.257 0.693 1.00 0.00 C ATOM 980 C ILE A 64 1.308 -21.186 0.407 1.00 0.00 C ATOM 981 O ILE A 64 2.417 -20.950 0.883 1.00 0.00 O ATOM 982 CB ILE A 64 0.032 -19.069 -0.266 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.262 -18.284 -0.041 1.00 0.00 C ATOM 984 CG2 ILE A 64 0.181 -19.524 -1.719 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.649 -17.494 -1.293 1.00 0.00 C ATOM 0 H ILE A 64 0.230 -18.782 2.178 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.783 -20.837 0.534 1.00 0.00 H new ATOM 0 HB ILE A 64 0.860 -18.393 -0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.067 -18.970 0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.136 -17.602 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.110 -18.660 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.150 -20.004 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.611 -20.232 -1.962 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.572 -16.945 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.853 -16.792 -1.541 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.798 -18.182 -2.126 1.00 0.00 H new ATOM 997 N PRO A 65 1.022 -22.250 -0.390 1.00 0.00 N ATOM 998 CA PRO A 65 2.049 -23.216 -0.746 1.00 0.00 C ATOM 999 C PRO A 65 3.002 -22.641 -1.795 1.00 0.00 C ATOM 1000 O PRO A 65 2.684 -21.652 -2.453 1.00 0.00 O ATOM 1001 CB PRO A 65 1.287 -24.435 -1.239 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.110 -23.944 -1.579 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.280 -22.561 -0.972 1.00 0.00 C ATOM 0 HA PRO A 65 2.691 -23.478 0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.771 -24.871 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.253 -25.210 -0.473 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.249 -23.906 -2.659 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.861 -24.628 -1.185 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.561 -21.828 -1.728 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.064 -22.554 -0.215 1.00 0.00 H new ATOM 1011 N PRO A 66 4.183 -23.303 -1.923 1.00 0.00 N ATOM 1012 CA PRO A 66 5.185 -22.869 -2.881 1.00 0.00 C ATOM 1013 C PRO A 66 4.779 -23.247 -4.308 1.00 0.00 C ATOM 1014 O PRO A 66 5.504 -22.960 -5.259 1.00 0.00 O ATOM 1015 CB PRO A 66 6.474 -23.538 -2.433 1.00 0.00 C ATOM 1016 CG PRO A 66 6.056 -24.683 -1.525 1.00 0.00 C ATOM 1017 CD PRO A 66 4.594 -24.479 -1.161 1.00 0.00 C ATOM 0 HA PRO A 66 5.302 -21.786 -2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 66 7.041 -23.905 -3.288 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.116 -22.834 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.194 -25.640 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.674 -24.703 -0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.995 -25.351 -1.424 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.471 -24.320 -0.090 1.00 0.00 H new ATOM 1025 N GLN A 67 3.623 -23.885 -4.410 1.00 0.00 N ATOM 1026 CA GLN A 67 3.112 -24.305 -5.704 1.00 0.00 C ATOM 1027 C GLN A 67 2.108 -23.281 -6.237 1.00 0.00 C ATOM 1028 O GLN A 67 2.042 -23.040 -7.441 1.00 0.00 O ATOM 1029 CB GLN A 67 2.483 -25.697 -5.620 1.00 0.00 C ATOM 1030 CG GLN A 67 3.055 -26.624 -6.694 1.00 0.00 C ATOM 1031 CD GLN A 67 3.778 -27.816 -6.062 1.00 0.00 C ATOM 1032 OE1 GLN A 67 4.995 -27.894 -6.035 1.00 0.00 O ATOM 1033 NE2 GLN A 67 2.962 -28.737 -5.557 1.00 0.00 N ATOM 0 H GLN A 67 3.025 -24.122 -3.618 1.00 0.00 H new ATOM 0 HA GLN A 67 3.948 -24.362 -6.401 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.664 -26.123 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.402 -25.619 -5.740 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.251 -26.981 -7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.747 -26.069 -7.328 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.952 -28.609 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 67 3.347 -29.571 -5.113 1.00 0.00 H new ATOM 1042 N SER A 68 1.352 -22.706 -5.313 1.00 0.00 N ATOM 1043 CA SER A 68 0.355 -21.713 -5.675 1.00 0.00 C ATOM 1044 C SER A 68 0.977 -20.316 -5.658 1.00 0.00 C ATOM 1045 O SER A 68 0.769 -19.528 -6.580 1.00 0.00 O ATOM 1046 CB SER A 68 -0.847 -21.770 -4.730 1.00 0.00 C ATOM 1047 OG SER A 68 -1.827 -20.788 -5.052 1.00 0.00 O ATOM 0 H SER A 68 1.410 -22.909 -4.315 1.00 0.00 H new ATOM 0 HA SER A 68 0.002 -21.934 -6.682 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.298 -22.761 -4.777 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.509 -21.622 -3.704 1.00 0.00 H new ATOM 0 HG SER A 68 -2.578 -20.858 -4.427 1.00 0.00 H new ATOM 1053 N ARG A 69 1.728 -20.050 -4.600 1.00 0.00 N ATOM 1054 CA ARG A 69 2.383 -18.761 -4.451 1.00 0.00 C ATOM 1055 C ARG A 69 2.873 -18.254 -5.809 1.00 0.00 C ATOM 1056 O ARG A 69 2.240 -17.394 -6.419 1.00 0.00 O ATOM 1057 CB ARG A 69 3.570 -18.854 -3.490 1.00 0.00 C ATOM 1058 CG ARG A 69 3.337 -17.994 -2.246 1.00 0.00 C ATOM 1059 CD ARG A 69 4.637 -17.797 -1.464 1.00 0.00 C ATOM 1060 NE ARG A 69 4.516 -18.402 -0.119 1.00 0.00 N ATOM 1061 CZ ARG A 69 5.554 -18.648 0.691 1.00 0.00 C ATOM 1062 NH1 ARG A 69 6.798 -18.343 0.297 1.00 0.00 N ATOM 1063 NH2 ARG A 69 5.350 -19.199 1.895 1.00 0.00 N ATOM 0 H ARG A 69 1.898 -20.705 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 69 1.652 -18.063 -4.041 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.723 -19.892 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.479 -18.529 -3.996 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.935 -17.024 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.592 -18.468 -1.607 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.468 -18.252 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.860 -16.734 -1.375 1.00 0.00 H new ATOM 0 HE ARG A 69 3.583 -18.647 0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.954 -17.924 -0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.589 -18.530 0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.403 -19.432 2.196 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.141 -19.386 2.511 1.00 0.00 H new ATOM 1077 N GLY A 70 3.995 -18.809 -6.241 1.00 0.00 N ATOM 1078 CA GLY A 70 4.577 -18.425 -7.516 1.00 0.00 C ATOM 1079 C GLY A 70 4.481 -16.912 -7.728 1.00 0.00 C ATOM 1080 O GLY A 70 5.344 -16.162 -7.276 1.00 0.00 O ATOM 0 H GLY A 70 4.517 -19.522 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.621 -18.735 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.063 -18.943 -8.326 1.00 0.00 H new ATOM 1084 N MET A 71 3.423 -16.510 -8.417 1.00 0.00 N ATOM 1085 CA MET A 71 3.202 -15.101 -8.695 1.00 0.00 C ATOM 1086 C MET A 71 3.138 -14.290 -7.399 1.00 0.00 C ATOM 1087 O MET A 71 3.979 -13.424 -7.163 1.00 0.00 O ATOM 1088 CB MET A 71 1.893 -14.932 -9.469 1.00 0.00 C ATOM 1089 CG MET A 71 1.951 -13.706 -10.382 1.00 0.00 C ATOM 1090 SD MET A 71 1.589 -14.180 -12.064 1.00 0.00 S ATOM 1091 CE MET A 71 -0.016 -13.425 -12.261 1.00 0.00 C ATOM 0 H MET A 71 2.709 -17.136 -8.791 1.00 0.00 H new ATOM 0 HA MET A 71 4.037 -14.732 -9.291 1.00 0.00 H new ATOM 0 HB2 MET A 71 1.700 -15.825 -10.064 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.063 -14.830 -8.770 1.00 0.00 H new ATOM 0 HG2 MET A 71 1.235 -12.957 -10.044 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.939 -13.249 -10.329 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.391 -13.625 -13.265 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.706 -13.840 -11.526 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.068 -12.348 -12.113 1.00 0.00 H new ATOM 1101 N TYR A 72 2.133 -14.600 -6.594 1.00 0.00 N ATOM 1102 CA TYR A 72 1.948 -13.911 -5.328 1.00 0.00 C ATOM 1103 C TYR A 72 3.294 -13.609 -4.666 1.00 0.00 C ATOM 1104 O TYR A 72 3.535 -12.487 -4.224 1.00 0.00 O ATOM 1105 CB TYR A 72 1.158 -14.871 -4.437 1.00 0.00 C ATOM 1106 CG TYR A 72 0.120 -14.184 -3.548 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.274 -12.855 -3.207 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.971 -14.892 -3.088 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.703 -12.208 -2.371 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.949 -14.245 -2.251 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.767 -12.935 -1.935 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.690 -12.323 -1.145 1.00 0.00 O ATOM 0 H TYR A 72 1.438 -15.319 -6.794 1.00 0.00 H new ATOM 0 HA TYR A 72 1.433 -12.962 -5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.654 -15.603 -5.067 1.00 0.00 H new ATOM 0 HB3 TYR A 72 1.855 -15.421 -3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.128 -12.301 -3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -1.092 -15.931 -3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.594 -11.169 -2.096 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.807 -14.788 -1.883 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.174 -11.650 -1.668 1.00 0.00 H new ATOM 1122 N SER A 73 4.136 -14.631 -4.620 1.00 0.00 N ATOM 1123 CA SER A 73 5.452 -14.489 -4.020 1.00 0.00 C ATOM 1124 C SER A 73 6.208 -13.336 -4.682 1.00 0.00 C ATOM 1125 O SER A 73 6.748 -12.468 -3.997 1.00 0.00 O ATOM 1126 CB SER A 73 6.254 -15.787 -4.138 1.00 0.00 C ATOM 1127 OG SER A 73 7.191 -15.934 -3.074 1.00 0.00 O ATOM 0 H SER A 73 3.933 -15.560 -4.988 1.00 0.00 H new ATOM 0 HA SER A 73 5.322 -14.269 -2.960 1.00 0.00 H new ATOM 0 HB2 SER A 73 5.571 -16.636 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.783 -15.801 -5.091 1.00 0.00 H new ATOM 0 HG SER A 73 7.682 -16.775 -3.184 1.00 0.00 H new ATOM 1133 N ASN A 74 6.222 -13.363 -6.007 1.00 0.00 N ATOM 1134 CA ASN A 74 6.903 -12.330 -6.769 1.00 0.00 C ATOM 1135 C ASN A 74 6.136 -11.014 -6.634 1.00 0.00 C ATOM 1136 O ASN A 74 6.687 -10.014 -6.175 1.00 0.00 O ATOM 1137 CB ASN A 74 6.964 -12.692 -8.254 1.00 0.00 C ATOM 1138 CG ASN A 74 8.377 -13.122 -8.656 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.365 -12.489 -8.322 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.416 -14.231 -9.390 1.00 0.00 N ATOM 0 H ASN A 74 5.773 -14.084 -6.572 1.00 0.00 H new ATOM 0 HA ASN A 74 7.916 -12.235 -6.379 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.261 -13.498 -8.465 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.656 -11.835 -8.854 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.312 -14.600 -9.709 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.550 -14.712 -9.634 1.00 0.00 H new ATOM 1147 N ARG A 75 4.876 -11.055 -7.043 1.00 0.00 N ATOM 1148 CA ARG A 75 4.028 -9.878 -6.974 1.00 0.00 C ATOM 1149 C ARG A 75 4.206 -9.173 -5.627 1.00 0.00 C ATOM 1150 O ARG A 75 4.015 -7.962 -5.526 1.00 0.00 O ATOM 1151 CB ARG A 75 2.555 -10.249 -7.157 1.00 0.00 C ATOM 1152 CG ARG A 75 2.332 -10.969 -8.488 1.00 0.00 C ATOM 1153 CD ARG A 75 1.331 -10.209 -9.361 1.00 0.00 C ATOM 1154 NE ARG A 75 1.836 -10.119 -10.749 1.00 0.00 N ATOM 1155 CZ ARG A 75 2.704 -9.190 -11.173 1.00 0.00 C ATOM 1156 NH1 ARG A 75 3.168 -8.267 -10.320 1.00 0.00 N ATOM 1157 NH2 ARG A 75 3.108 -9.185 -12.451 1.00 0.00 N ATOM 0 H ARG A 75 4.422 -11.886 -7.423 1.00 0.00 H new ATOM 0 HA ARG A 75 4.325 -9.208 -7.781 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.233 -10.888 -6.335 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.942 -9.348 -7.120 1.00 0.00 H new ATOM 0 HG2 ARG A 75 3.280 -11.066 -9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.965 -11.979 -8.303 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.366 -10.716 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.170 -9.209 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 75 1.503 -10.807 -11.425 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.861 -8.271 -9.347 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.829 -7.560 -10.643 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.755 -9.888 -13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.769 -8.478 -12.774 1.00 0.00 H new ATOM 1171 N MET A 76 4.571 -9.962 -4.627 1.00 0.00 N ATOM 1172 CA MET A 76 4.777 -9.429 -3.291 1.00 0.00 C ATOM 1173 C MET A 76 6.047 -8.577 -3.230 1.00 0.00 C ATOM 1174 O MET A 76 6.064 -7.527 -2.590 1.00 0.00 O ATOM 1175 CB MET A 76 4.887 -10.582 -2.292 1.00 0.00 C ATOM 1176 CG MET A 76 3.559 -10.809 -1.567 1.00 0.00 C ATOM 1177 SD MET A 76 3.586 -10.000 0.023 1.00 0.00 S ATOM 1178 CE MET A 76 1.974 -9.234 0.009 1.00 0.00 C ATOM 0 H MET A 76 4.729 -10.966 -4.715 1.00 0.00 H new ATOM 0 HA MET A 76 3.926 -8.797 -3.037 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.181 -11.493 -2.814 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.670 -10.364 -1.565 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.736 -10.421 -2.168 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.384 -11.877 -1.438 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.653 -9.042 1.033 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.023 -8.293 -0.538 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.259 -9.899 -0.476 1.00 0.00 H new ATOM 1188 N ARG A 77 7.078 -9.062 -3.905 1.00 0.00 N ATOM 1189 CA ARG A 77 8.349 -8.359 -3.936 1.00 0.00 C ATOM 1190 C ARG A 77 8.189 -7.003 -4.628 1.00 0.00 C ATOM 1191 O ARG A 77 8.920 -6.060 -4.329 1.00 0.00 O ATOM 1192 CB ARG A 77 9.413 -9.176 -4.672 1.00 0.00 C ATOM 1193 CG ARG A 77 9.409 -8.860 -6.169 1.00 0.00 C ATOM 1194 CD ARG A 77 10.283 -7.643 -6.476 1.00 0.00 C ATOM 1195 NE ARG A 77 11.360 -8.017 -7.420 1.00 0.00 N ATOM 1196 CZ ARG A 77 11.151 -8.362 -8.698 1.00 0.00 C ATOM 1197 NH1 ARG A 77 9.906 -8.381 -9.192 1.00 0.00 N ATOM 1198 NH2 ARG A 77 12.189 -8.687 -9.482 1.00 0.00 N ATOM 0 H ARG A 77 7.059 -9.933 -4.435 1.00 0.00 H new ATOM 0 HA ARG A 77 8.670 -8.210 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.396 -8.960 -4.254 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.229 -10.240 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.772 -9.723 -6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.388 -8.672 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.674 -6.846 -6.904 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.715 -7.254 -5.554 1.00 0.00 H new ATOM 0 HE ARG A 77 12.320 -8.012 -7.077 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.117 -8.133 -8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.747 -8.644 -10.165 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.137 -8.672 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.031 -8.950 -10.455 1.00 0.00 H new ATOM 1212 N SER A 78 7.229 -6.949 -5.539 1.00 0.00 N ATOM 1213 CA SER A 78 6.963 -5.724 -6.274 1.00 0.00 C ATOM 1214 C SER A 78 6.108 -4.780 -5.428 1.00 0.00 C ATOM 1215 O SER A 78 6.479 -3.628 -5.210 1.00 0.00 O ATOM 1216 CB SER A 78 6.268 -6.021 -7.605 1.00 0.00 C ATOM 1217 OG SER A 78 7.149 -5.865 -8.714 1.00 0.00 O ATOM 0 H SER A 78 6.626 -7.734 -5.785 1.00 0.00 H new ATOM 0 HA SER A 78 7.916 -5.242 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.879 -7.039 -7.592 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.414 -5.355 -7.724 1.00 0.00 H new ATOM 0 HG SER A 78 6.668 -6.065 -9.544 1.00 0.00 H new ATOM 1223 N TYR A 79 4.979 -5.303 -4.973 1.00 0.00 N ATOM 1224 CA TYR A 79 4.067 -4.521 -4.155 1.00 0.00 C ATOM 1225 C TYR A 79 4.819 -3.800 -3.034 1.00 0.00 C ATOM 1226 O TYR A 79 4.886 -2.571 -3.017 1.00 0.00 O ATOM 1227 CB TYR A 79 3.091 -5.523 -3.535 1.00 0.00 C ATOM 1228 CG TYR A 79 2.194 -6.229 -4.554 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.796 -5.568 -5.698 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.783 -7.527 -4.329 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.952 -6.233 -6.657 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.939 -8.192 -5.288 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.565 -7.512 -6.404 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.232 -8.139 -7.310 1.00 0.00 O ATOM 0 H TYR A 79 4.675 -6.259 -5.155 1.00 0.00 H new ATOM 0 HA TYR A 79 3.563 -3.765 -4.757 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.658 -6.273 -2.984 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.463 -5.003 -2.812 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.117 -4.552 -5.874 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.094 -8.044 -3.434 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.634 -5.727 -7.557 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.611 -9.208 -5.124 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.234 -9.103 -7.132 1.00 0.00 H new ATOM 1244 N LYS A 80 5.365 -4.593 -2.125 1.00 0.00 N ATOM 1245 CA LYS A 80 6.108 -4.046 -1.003 1.00 0.00 C ATOM 1246 C LYS A 80 7.067 -2.966 -1.510 1.00 0.00 C ATOM 1247 O LYS A 80 7.113 -1.865 -0.964 1.00 0.00 O ATOM 1248 CB LYS A 80 6.800 -5.164 -0.221 1.00 0.00 C ATOM 1249 CG LYS A 80 5.776 -6.053 0.487 1.00 0.00 C ATOM 1250 CD LYS A 80 6.292 -6.500 1.856 1.00 0.00 C ATOM 1251 CE LYS A 80 5.153 -6.568 2.876 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.423 -7.615 3.886 1.00 0.00 N ATOM 0 H LYS A 80 5.308 -5.611 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 80 5.431 -3.566 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.403 -5.767 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 80 7.481 -4.732 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.839 -5.510 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.561 -6.927 -0.128 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.765 -7.478 1.769 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.056 -5.806 2.205 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.039 -5.602 3.367 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.213 -6.780 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 4.640 -7.647 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.509 -8.538 3.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.309 -7.396 4.384 1.00 0.00 H new ATOM 1266 N GLN A 81 7.809 -3.320 -2.549 1.00 0.00 N ATOM 1267 CA GLN A 81 8.764 -2.396 -3.136 1.00 0.00 C ATOM 1268 C GLN A 81 8.077 -1.074 -3.484 1.00 0.00 C ATOM 1269 O GLN A 81 8.421 -0.028 -2.935 1.00 0.00 O ATOM 1270 CB GLN A 81 9.433 -3.008 -4.369 1.00 0.00 C ATOM 1271 CG GLN A 81 10.766 -3.662 -4.002 1.00 0.00 C ATOM 1272 CD GLN A 81 11.763 -2.622 -3.485 1.00 0.00 C ATOM 1273 OE1 GLN A 81 12.222 -1.752 -4.207 1.00 0.00 O ATOM 1274 NE2 GLN A 81 12.071 -2.760 -2.199 1.00 0.00 N ATOM 0 H GLN A 81 7.768 -4.234 -2.999 1.00 0.00 H new ATOM 0 HA GLN A 81 9.545 -2.196 -2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.771 -3.750 -4.816 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.598 -2.235 -5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.603 -4.425 -3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.181 -4.166 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.650 -3.511 -1.652 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.728 -2.115 -1.760 1.00 0.00 H new ATOM 1283 N GLU A 82 7.119 -1.163 -4.395 1.00 0.00 N ATOM 1284 CA GLU A 82 6.381 0.013 -4.823 1.00 0.00 C ATOM 1285 C GLU A 82 5.810 0.751 -3.611 1.00 0.00 C ATOM 1286 O GLU A 82 6.029 1.951 -3.450 1.00 0.00 O ATOM 1287 CB GLU A 82 5.273 -0.363 -5.808 1.00 0.00 C ATOM 1288 CG GLU A 82 4.581 0.885 -6.358 1.00 0.00 C ATOM 1289 CD GLU A 82 5.017 1.165 -7.798 1.00 0.00 C ATOM 1290 OE1 GLU A 82 6.241 1.315 -8.001 1.00 0.00 O ATOM 1291 OE2 GLU A 82 4.116 1.224 -8.663 1.00 0.00 O ATOM 0 H GLU A 82 6.837 -2.032 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 82 7.069 0.682 -5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.694 -0.942 -6.630 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.541 -1.000 -5.311 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.500 0.752 -6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.818 1.743 -5.729 1.00 0.00 H new ATOM 1298 N MET A 83 5.088 0.004 -2.789 1.00 0.00 N ATOM 1299 CA MET A 83 4.483 0.572 -1.597 1.00 0.00 C ATOM 1300 C MET A 83 5.459 1.508 -0.880 1.00 0.00 C ATOM 1301 O MET A 83 5.274 2.724 -0.884 1.00 0.00 O ATOM 1302 CB MET A 83 4.067 -0.554 -0.649 1.00 0.00 C ATOM 1303 CG MET A 83 2.710 -0.258 -0.007 1.00 0.00 C ATOM 1304 SD MET A 83 2.767 1.310 0.844 1.00 0.00 S ATOM 1305 CE MET A 83 1.187 1.984 0.359 1.00 0.00 C ATOM 0 H MET A 83 4.908 -0.991 -2.925 1.00 0.00 H new ATOM 0 HA MET A 83 3.608 1.149 -1.896 1.00 0.00 H new ATOM 0 HB2 MET A 83 4.017 -1.495 -1.197 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.822 -0.677 0.128 1.00 0.00 H new ATOM 0 HG2 MET A 83 1.933 -0.238 -0.771 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.449 -1.052 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.790 2.598 1.167 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.311 2.596 -0.534 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.494 1.170 0.147 1.00 0.00 H new ATOM 1315 N GLY A 84 6.477 0.906 -0.283 1.00 0.00 N ATOM 1316 CA GLY A 84 7.482 1.670 0.436 1.00 0.00 C ATOM 1317 C GLY A 84 7.874 2.928 -0.342 1.00 0.00 C ATOM 1318 O GLY A 84 8.067 3.991 0.246 1.00 0.00 O ATOM 0 H GLY A 84 6.627 -0.103 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.098 1.950 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.364 1.052 0.603 1.00 0.00 H new ATOM 1322 N LYS A 85 7.979 2.766 -1.653 1.00 0.00 N ATOM 1323 CA LYS A 85 8.344 3.876 -2.517 1.00 0.00 C ATOM 1324 C LYS A 85 7.216 4.909 -2.517 1.00 0.00 C ATOM 1325 O LYS A 85 7.468 6.108 -2.403 1.00 0.00 O ATOM 1326 CB LYS A 85 8.714 3.369 -3.913 1.00 0.00 C ATOM 1327 CG LYS A 85 8.906 4.533 -4.886 1.00 0.00 C ATOM 1328 CD LYS A 85 9.560 4.059 -6.186 1.00 0.00 C ATOM 1329 CE LYS A 85 10.057 5.246 -7.013 1.00 0.00 C ATOM 1330 NZ LYS A 85 11.534 5.334 -6.958 1.00 0.00 N ATOM 0 H LYS A 85 7.818 1.883 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 85 9.235 4.377 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.630 2.781 -3.859 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.931 2.707 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.942 4.991 -5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.525 5.301 -4.422 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.394 3.396 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.843 3.480 -6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.732 5.138 -8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 85 9.617 6.169 -6.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 11.855 6.145 -7.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.838 5.459 -5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.948 4.460 -7.340 1.00 0.00 H new ATOM 1344 N LEU A 86 5.997 4.408 -2.647 1.00 0.00 N ATOM 1345 CA LEU A 86 4.829 5.272 -2.663 1.00 0.00 C ATOM 1346 C LEU A 86 4.880 6.213 -1.458 1.00 0.00 C ATOM 1347 O LEU A 86 4.385 7.337 -1.522 1.00 0.00 O ATOM 1348 CB LEU A 86 3.548 4.441 -2.741 1.00 0.00 C ATOM 1349 CG LEU A 86 2.969 4.229 -4.141 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.215 2.901 -4.228 1.00 0.00 C ATOM 1351 CD2 LEU A 86 2.094 5.413 -4.558 1.00 0.00 C ATOM 0 H LEU A 86 5.792 3.413 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 86 4.830 5.897 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.745 3.464 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.789 4.922 -2.125 1.00 0.00 H new ATOM 0 HG LEU A 86 3.797 4.176 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.814 2.776 -5.234 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.897 2.080 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.397 2.899 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.695 5.237 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.270 5.523 -3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.692 6.324 -4.562 1.00 0.00 H new ATOM 1363 N GLU A 87 5.484 5.719 -0.387 1.00 0.00 N ATOM 1364 CA GLU A 87 5.606 6.502 0.831 1.00 0.00 C ATOM 1365 C GLU A 87 6.591 7.654 0.626 1.00 0.00 C ATOM 1366 O GLU A 87 6.388 8.750 1.147 1.00 0.00 O ATOM 1367 CB GLU A 87 6.030 5.622 2.009 1.00 0.00 C ATOM 1368 CG GLU A 87 4.818 5.202 2.844 1.00 0.00 C ATOM 1369 CD GLU A 87 5.001 5.594 4.311 1.00 0.00 C ATOM 1370 OE1 GLU A 87 5.024 6.816 4.573 1.00 0.00 O ATOM 1371 OE2 GLU A 87 5.113 4.663 5.138 1.00 0.00 O ATOM 0 H GLU A 87 5.894 4.786 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 87 4.629 6.923 1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.546 4.736 1.639 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.738 6.164 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.918 5.672 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.675 4.124 2.767 1.00 0.00 H new ATOM 1378 N THR A 88 7.637 7.367 -0.135 1.00 0.00 N ATOM 1379 CA THR A 88 8.654 8.366 -0.416 1.00 0.00 C ATOM 1380 C THR A 88 8.191 9.298 -1.538 1.00 0.00 C ATOM 1381 O THR A 88 7.984 10.489 -1.314 1.00 0.00 O ATOM 1382 CB THR A 88 9.960 7.634 -0.734 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.506 7.328 0.546 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.004 8.551 -1.375 1.00 0.00 C ATOM 0 H THR A 88 7.802 6.457 -0.566 1.00 0.00 H new ATOM 0 HA THR A 88 8.826 9.009 0.447 1.00 0.00 H new ATOM 0 HB THR A 88 9.754 6.797 -1.401 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.354 6.850 0.434 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.911 7.982 -1.580 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.610 8.955 -2.308 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.236 9.370 -0.694 1.00 0.00 H new ATOM 1392 N ASP A 89 8.043 8.720 -2.721 1.00 0.00 N ATOM 1393 CA ASP A 89 7.609 9.483 -3.878 1.00 0.00 C ATOM 1394 C ASP A 89 6.482 10.432 -3.464 1.00 0.00 C ATOM 1395 O ASP A 89 6.359 11.529 -4.006 1.00 0.00 O ATOM 1396 CB ASP A 89 7.072 8.563 -4.976 1.00 0.00 C ATOM 1397 CG ASP A 89 8.013 8.356 -6.164 1.00 0.00 C ATOM 1398 OD1 ASP A 89 9.103 8.969 -6.138 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.623 7.590 -7.071 1.00 0.00 O ATOM 0 H ASP A 89 8.216 7.731 -2.903 1.00 0.00 H new ATOM 0 HA ASP A 89 8.468 10.035 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.847 7.591 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.131 8.972 -5.344 1.00 0.00 H new ATOM 1404 N PHE A 90 5.689 9.974 -2.507 1.00 0.00 N ATOM 1405 CA PHE A 90 4.576 10.769 -2.014 1.00 0.00 C ATOM 1406 C PHE A 90 5.074 12.044 -1.331 1.00 0.00 C ATOM 1407 O PHE A 90 4.573 13.134 -1.604 1.00 0.00 O ATOM 1408 CB PHE A 90 3.835 9.911 -0.987 1.00 0.00 C ATOM 1409 CG PHE A 90 2.992 10.716 0.005 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.312 11.816 -0.417 1.00 0.00 C ATOM 1411 CD2 PHE A 90 2.922 10.332 1.307 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.530 12.563 0.503 1.00 0.00 C ATOM 1413 CE2 PHE A 90 2.140 11.079 2.227 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.461 12.179 1.805 1.00 0.00 C ATOM 0 H PHE A 90 5.794 9.063 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 90 3.931 11.061 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.187 9.211 -1.514 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.562 9.318 -0.432 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.367 12.121 -1.452 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.461 9.458 1.642 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.990 13.436 0.168 1.00 0.00 H new ATOM 0 HE2 PHE A 90 2.084 10.774 3.261 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.867 12.748 2.505 1.00 0.00 H new ATOM 1424 N LYS A 91 6.052 11.866 -0.456 1.00 0.00 N ATOM 1425 CA LYS A 91 6.623 12.990 0.268 1.00 0.00 C ATOM 1426 C LYS A 91 7.507 13.805 -0.679 1.00 0.00 C ATOM 1427 O LYS A 91 7.623 15.020 -0.532 1.00 0.00 O ATOM 1428 CB LYS A 91 7.350 12.504 1.523 1.00 0.00 C ATOM 1429 CG LYS A 91 8.845 12.321 1.255 1.00 0.00 C ATOM 1430 CD LYS A 91 9.588 11.932 2.534 1.00 0.00 C ATOM 1431 CE LYS A 91 10.350 13.127 3.111 1.00 0.00 C ATOM 1432 NZ LYS A 91 10.252 13.139 4.588 1.00 0.00 N ATOM 0 H LYS A 91 6.464 10.960 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 91 5.836 13.656 0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.207 13.221 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.918 11.560 1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 91 8.991 11.551 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.262 13.245 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.878 11.558 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.284 11.120 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.397 13.078 2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.945 14.054 2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.774 13.956 4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.253 13.208 4.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.660 12.262 4.970 1.00 0.00 H new ATOM 1446 N ARG A 92 8.107 13.102 -1.628 1.00 0.00 N ATOM 1447 CA ARG A 92 8.976 13.746 -2.598 1.00 0.00 C ATOM 1448 C ARG A 92 8.145 14.447 -3.674 1.00 0.00 C ATOM 1449 O ARG A 92 8.694 15.014 -4.617 1.00 0.00 O ATOM 1450 CB ARG A 92 9.906 12.729 -3.264 1.00 0.00 C ATOM 1451 CG ARG A 92 11.124 12.441 -2.385 1.00 0.00 C ATOM 1452 CD ARG A 92 12.104 11.504 -3.095 1.00 0.00 C ATOM 1453 NE ARG A 92 12.727 12.200 -4.243 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.720 11.687 -4.983 1.00 0.00 C ATOM 1455 NH1 ARG A 92 14.208 10.472 -4.699 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.224 12.390 -6.006 1.00 0.00 N ATOM 0 H ARG A 92 8.009 12.094 -1.746 1.00 0.00 H new ATOM 0 HA ARG A 92 9.580 14.481 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.362 11.803 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.233 13.110 -4.232 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.626 13.376 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.801 11.991 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.874 11.173 -2.398 1.00 0.00 H new ATOM 0 HD3 ARG A 92 11.582 10.611 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 92 12.379 13.128 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.824 9.937 -3.920 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.964 10.082 -5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.852 13.315 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 92 14.980 12.000 -6.569 1.00 0.00 H new ATOM 1470 N SER A 93 6.833 14.386 -3.496 1.00 0.00 N ATOM 1471 CA SER A 93 5.920 15.008 -4.440 1.00 0.00 C ATOM 1472 C SER A 93 5.287 16.252 -3.813 1.00 0.00 C ATOM 1473 O SER A 93 4.961 17.208 -4.515 1.00 0.00 O ATOM 1474 CB SER A 93 4.834 14.027 -4.884 1.00 0.00 C ATOM 1475 OG SER A 93 5.084 13.509 -6.188 1.00 0.00 O ATOM 0 H SER A 93 6.381 13.915 -2.712 1.00 0.00 H new ATOM 0 HA SER A 93 6.488 15.302 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.776 13.204 -4.172 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.866 14.528 -4.872 1.00 0.00 H new ATOM 0 HG SER A 93 4.258 13.128 -6.553 1.00 0.00 H new ATOM 1481 N ARG A 94 5.133 16.200 -2.498 1.00 0.00 N ATOM 1482 CA ARG A 94 4.545 17.310 -1.768 1.00 0.00 C ATOM 1483 C ARG A 94 5.628 18.311 -1.361 1.00 0.00 C ATOM 1484 O ARG A 94 5.322 19.429 -0.951 1.00 0.00 O ATOM 1485 CB ARG A 94 3.814 16.821 -0.516 1.00 0.00 C ATOM 1486 CG ARG A 94 4.654 15.789 0.241 1.00 0.00 C ATOM 1487 CD ARG A 94 4.316 15.795 1.733 1.00 0.00 C ATOM 1488 NE ARG A 94 5.554 15.933 2.532 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.626 15.709 3.851 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.532 15.334 4.527 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.792 15.859 4.493 1.00 0.00 N ATOM 0 H ARG A 94 5.406 15.406 -1.919 1.00 0.00 H new ATOM 0 HA ARG A 94 3.826 17.796 -2.427 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.596 17.667 0.136 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.857 16.381 -0.798 1.00 0.00 H new ATOM 0 HG2 ARG A 94 4.476 14.796 -0.172 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.713 16.006 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.636 16.617 1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 94 3.801 14.873 2.001 1.00 0.00 H new ATOM 0 HE ARG A 94 6.406 16.216 2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.645 15.219 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.586 15.163 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.625 16.144 3.978 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.847 15.689 5.497 1.00 0.00 H new ATOM 1505 N ILE A 95 6.872 17.872 -1.487 1.00 0.00 N ATOM 1506 CA ILE A 95 8.002 18.715 -1.137 1.00 0.00 C ATOM 1507 C ILE A 95 8.519 19.416 -2.395 1.00 0.00 C ATOM 1508 O ILE A 95 9.689 19.789 -2.466 1.00 0.00 O ATOM 1509 CB ILE A 95 9.071 17.901 -0.404 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.834 16.998 -1.375 1.00 0.00 C ATOM 1511 CG2 ILE A 95 8.459 17.111 0.755 1.00 0.00 C ATOM 1512 CD1 ILE A 95 11.159 17.638 -1.793 1.00 0.00 C ATOM 0 H ILE A 95 7.122 16.943 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 95 7.694 19.495 -0.440 1.00 0.00 H new ATOM 0 HB ILE A 95 9.794 18.594 0.026 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.024 16.033 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.223 16.809 -2.258 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.240 16.541 1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.999 17.801 1.462 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.702 16.428 0.370 1.00 0.00 H new ATOM 0 HD11 ILE A 95 11.681 16.975 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 95 10.964 18.592 -2.283 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.777 17.803 -0.911 1.00 0.00 H new ATOM 1524 N ALA A 96 7.621 19.574 -3.357 1.00 0.00 N ATOM 1525 CA ALA A 96 7.971 20.224 -4.608 1.00 0.00 C ATOM 1526 C ALA A 96 7.392 21.640 -4.622 1.00 0.00 C ATOM 1527 O ALA A 96 6.193 21.823 -4.827 1.00 0.00 O ATOM 1528 CB ALA A 96 7.470 19.378 -5.780 1.00 0.00 C ATOM 0 H ALA A 96 6.652 19.263 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 96 9.053 20.310 -4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 96 7.732 19.865 -6.719 1.00 0.00 H new ATOM 0 HB2 ALA A 96 7.933 18.392 -5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.387 19.273 -5.716 1.00 0.00 H new ATOM 1534 N SER A 97 8.271 22.607 -4.400 1.00 0.00 N ATOM 1535 CA SER A 97 7.863 24.001 -4.385 1.00 0.00 C ATOM 1536 C SER A 97 9.029 24.893 -4.816 1.00 0.00 C ATOM 1537 O SER A 97 10.091 24.875 -4.197 1.00 0.00 O ATOM 1538 CB SER A 97 7.364 24.413 -2.998 1.00 0.00 C ATOM 1539 OG SER A 97 6.059 24.982 -3.048 1.00 0.00 O ATOM 0 H SER A 97 9.265 22.452 -4.229 1.00 0.00 H new ATOM 0 HA SER A 97 7.041 24.124 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.355 23.542 -2.342 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.057 25.133 -2.562 1.00 0.00 H new ATOM 0 HG SER A 97 5.776 25.230 -2.143 1.00 0.00 H new ATOM 1545 N GLY A 98 8.790 25.652 -5.876 1.00 0.00 N ATOM 1546 CA GLY A 98 9.807 26.549 -6.397 1.00 0.00 C ATOM 1547 C GLY A 98 10.479 27.332 -5.268 1.00 0.00 C ATOM 1548 O GLY A 98 9.892 27.522 -4.204 1.00 0.00 O ATOM 0 H GLY A 98 7.908 25.664 -6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 98 10.557 25.976 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.356 27.242 -7.107 1.00 0.00 H new ATOM 1552 N PRO A 99 11.734 27.778 -5.545 1.00 0.00 N ATOM 1553 CA PRO A 99 12.492 28.536 -4.564 1.00 0.00 C ATOM 1554 C PRO A 99 11.969 29.970 -4.456 1.00 0.00 C ATOM 1555 O PRO A 99 11.539 30.555 -5.450 1.00 0.00 O ATOM 1556 CB PRO A 99 13.934 28.464 -5.040 1.00 0.00 C ATOM 1557 CG PRO A 99 13.869 28.068 -6.506 1.00 0.00 C ATOM 1558 CD PRO A 99 12.461 27.573 -6.794 1.00 0.00 C ATOM 0 HA PRO A 99 12.399 28.132 -3.556 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.435 29.424 -4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.500 27.733 -4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 99 14.112 28.919 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 99 14.599 27.289 -6.724 1.00 0.00 H new ATOM 0 HD2 PRO A 99 12.005 28.129 -7.613 1.00 0.00 H new ATOM 0 HD3 PRO A 99 12.462 26.522 -7.084 1.00 0.00 H new ATOM 1566 N SER A 100 12.023 30.496 -3.241 1.00 0.00 N ATOM 1567 CA SER A 100 11.560 31.850 -2.990 1.00 0.00 C ATOM 1568 C SER A 100 12.735 32.735 -2.567 1.00 0.00 C ATOM 1569 O SER A 100 13.263 32.587 -1.466 1.00 0.00 O ATOM 1570 CB SER A 100 10.468 31.869 -1.919 1.00 0.00 C ATOM 1571 OG SER A 100 9.986 33.187 -1.672 1.00 0.00 O ATOM 0 H SER A 100 12.381 30.009 -2.419 1.00 0.00 H new ATOM 0 HA SER A 100 11.132 32.242 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 100 9.640 31.233 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 100 10.860 31.447 -0.994 1.00 0.00 H new ATOM 0 HG SER A 100 9.289 33.157 -0.984 1.00 0.00 H new ATOM 1577 N SER A 101 13.109 33.635 -3.465 1.00 0.00 N ATOM 1578 CA SER A 101 14.212 34.543 -3.198 1.00 0.00 C ATOM 1579 C SER A 101 13.681 35.962 -2.985 1.00 0.00 C ATOM 1580 O SER A 101 12.696 36.360 -3.605 1.00 0.00 O ATOM 1581 CB SER A 101 15.230 34.524 -4.340 1.00 0.00 C ATOM 1582 OG SER A 101 16.483 33.985 -3.929 1.00 0.00 O ATOM 0 H SER A 101 12.668 33.755 -4.377 1.00 0.00 H new ATOM 0 HA SER A 101 14.717 34.210 -2.291 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.836 33.934 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 101 15.376 35.538 -4.712 1.00 0.00 H new ATOM 0 HG SER A 101 17.105 33.988 -4.686 1.00 0.00 H new ATOM 1588 N GLY A 102 14.356 36.687 -2.105 1.00 0.00 N ATOM 1589 CA GLY A 102 13.965 38.053 -1.802 1.00 0.00 C ATOM 1590 C GLY A 102 14.968 39.052 -2.381 1.00 0.00 C ATOM 1591 O GLY A 102 15.464 38.867 -3.492 1.00 0.00 O ATOM 0 H GLY A 102 15.172 36.354 -1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.974 38.250 -2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.897 38.185 -0.722 1.00 0.00 H new TER 1595 GLY A 102