USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 999 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 74 SER OG : rot 33:sc= 0.11 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.881 X(o=-0.77,f=-0.85) USER MOD Set 2.1: A 24 GLN : amide:sc= 1.23 X(o=2,f=1.6) USER MOD Set 2.2: A 50 ASN : amide:sc= 0.758 X(o=2,f=1.6) USER MOD Set 3.1: A 37 SER OG : rot -161:sc= -0.769! USER MOD Set 3.2: A 39 HIS : no HE2:sc= -1.42 K(o=-2.2,f=-6.3) USER MOD Single : A 1 MET CE :methyl 161:sc= -0.111 (180deg=-0.604) USER MOD Single : A 1 MET N :NH3+ -162:sc= 1.2 (180deg=0.741) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 5 HIS : no HE2:sc= 1 K(o=1,f=-4.9!) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -1.8! X(o=-1.8!,f=-1.6) USER MOD Single : A 47 GLN : amide:sc= -0.157 K(o=-0.16,f=-2.1!) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.668 F(o=-2.2!,f=-0.67) USER MOD Single : A 62 TYR OH : rot -164:sc= 0.799 USER MOD Single : A 71 MET CE :methyl -128:sc= -0.499 (180deg=-2.48) USER MOD Single : A 87 CYS SG : rot 33:sc= -1.72 USER MOD Single : A 89 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 57:sc= -0.0768 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0.583 K(o=0.58,f=-3.8!) USER MOD Single : A 105 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 121 SER OG : rot 59:sc= 1.32 USER MOD Single : A 123 HIS :FLIP no HD1:sc= -0.106 F(o=-0.73,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.065 18.814 -42.764 1.00 0.00 N ATOM 2 CA MET A 1 5.314 19.081 -44.014 1.00 0.00 C ATOM 3 C MET A 1 5.511 17.943 -45.012 1.00 0.00 C ATOM 4 O MET A 1 4.703 17.753 -45.919 1.00 0.00 O ATOM 5 CB MET A 1 5.751 20.409 -44.637 1.00 0.00 C ATOM 6 CG MET A 1 5.465 21.621 -43.762 1.00 0.00 C ATOM 7 SD MET A 1 5.968 23.177 -44.527 1.00 0.00 S ATOM 8 CE MET A 1 4.901 23.210 -45.967 1.00 0.00 C ATOM 0 H1 MET A 1 5.693 19.415 -42.001 1.00 0.00 H new ATOM 0 H2 MET A 1 5.957 17.814 -42.501 1.00 0.00 H new ATOM 0 H3 MET A 1 7.072 19.026 -42.912 1.00 0.00 H new ATOM 0 HA MET A 1 4.255 19.148 -43.764 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.820 20.367 -44.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.244 20.535 -45.594 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.398 21.659 -43.541 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.984 21.506 -42.810 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.839 24.228 -46.351 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.309 22.556 -46.738 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.905 22.866 -45.690 1.00 0.00 H new ATOM 18 N SER A 2 6.589 17.186 -44.842 1.00 0.00 N ATOM 19 CA SER A 2 6.830 16.001 -45.653 1.00 0.00 C ATOM 20 C SER A 2 6.194 14.776 -44.995 1.00 0.00 C ATOM 21 O SER A 2 6.523 13.631 -45.313 1.00 0.00 O ATOM 22 CB SER A 2 8.336 15.804 -45.835 1.00 0.00 C ATOM 23 OG SER A 2 9.023 16.012 -44.612 1.00 0.00 O ATOM 0 H SER A 2 7.312 17.374 -44.147 1.00 0.00 H new ATOM 0 HA SER A 2 6.374 16.132 -46.634 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.534 14.797 -46.202 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.709 16.497 -46.589 1.00 0.00 H new ATOM 0 HG SER A 2 9.984 15.879 -44.750 1.00 0.00 H new ATOM 29 N ASP A 3 5.274 15.044 -44.080 1.00 0.00 N ATOM 30 CA ASP A 3 4.568 14.009 -43.345 1.00 0.00 C ATOM 31 C ASP A 3 3.632 13.255 -44.273 1.00 0.00 C ATOM 32 O ASP A 3 2.713 13.841 -44.852 1.00 0.00 O ATOM 33 CB ASP A 3 3.762 14.636 -42.204 1.00 0.00 C ATOM 34 CG ASP A 3 4.616 15.479 -41.277 1.00 0.00 C ATOM 35 OD1 ASP A 3 5.080 16.563 -41.703 1.00 0.00 O ATOM 36 OD2 ASP A 3 4.823 15.069 -40.119 1.00 0.00 O ATOM 0 H ASP A 3 4.996 15.992 -43.826 1.00 0.00 H new ATOM 0 HA ASP A 3 5.298 13.314 -42.931 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.968 15.255 -42.623 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.280 13.846 -41.628 1.00 0.00 H new ATOM 41 N GLN A 4 3.865 11.964 -44.414 1.00 0.00 N ATOM 42 CA GLN A 4 3.051 11.138 -45.288 1.00 0.00 C ATOM 43 C GLN A 4 1.710 10.848 -44.627 1.00 0.00 C ATOM 44 O GLN A 4 0.658 11.239 -45.132 1.00 0.00 O ATOM 45 CB GLN A 4 3.787 9.843 -45.627 1.00 0.00 C ATOM 46 CG GLN A 4 5.096 10.078 -46.369 1.00 0.00 C ATOM 47 CD GLN A 4 5.845 8.797 -46.665 1.00 0.00 C ATOM 48 OE1 GLN A 4 5.244 7.738 -46.846 1.00 0.00 O ATOM 49 NE2 GLN A 4 7.165 8.881 -46.712 1.00 0.00 N ATOM 0 H GLN A 4 4.613 11.463 -43.934 1.00 0.00 H new ATOM 0 HA GLN A 4 2.866 11.675 -46.219 1.00 0.00 H new ATOM 0 HB2 GLN A 4 3.991 9.296 -44.706 1.00 0.00 H new ATOM 0 HB3 GLN A 4 3.139 9.212 -46.236 1.00 0.00 H new ATOM 0 HG2 GLN A 4 4.889 10.596 -47.305 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.731 10.735 -45.775 1.00 0.00 H new ATOM 0 HE21 GLN A 4 7.625 9.778 -46.556 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.722 8.049 -46.904 1.00 0.00 H new ATOM 58 N HIS A 5 1.748 10.186 -43.486 1.00 0.00 N ATOM 59 CA HIS A 5 0.543 9.962 -42.710 1.00 0.00 C ATOM 60 C HIS A 5 0.847 10.183 -41.239 1.00 0.00 C ATOM 61 O HIS A 5 1.260 9.263 -40.535 1.00 0.00 O ATOM 62 CB HIS A 5 -0.013 8.553 -42.937 1.00 0.00 C ATOM 63 CG HIS A 5 -1.484 8.443 -42.668 1.00 0.00 C ATOM 64 ND1 HIS A 5 -2.011 8.012 -41.470 1.00 0.00 N ATOM 65 CD2 HIS A 5 -2.546 8.717 -43.461 1.00 0.00 C ATOM 66 CE1 HIS A 5 -3.327 8.025 -41.542 1.00 0.00 C ATOM 67 NE2 HIS A 5 -3.680 8.450 -42.739 1.00 0.00 N ATOM 0 H HIS A 5 2.597 9.795 -43.077 1.00 0.00 H new ATOM 0 HA HIS A 5 -0.219 10.670 -43.036 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.184 8.254 -43.967 1.00 0.00 H new ATOM 0 HB3 HIS A 5 0.520 7.852 -42.294 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -1.468 7.727 -40.655 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -2.507 9.080 -44.477 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.004 7.736 -40.752 1.00 0.00 H new ATOM 76 N ASP A 6 0.687 11.417 -40.795 1.00 0.00 N ATOM 77 CA ASP A 6 1.000 11.778 -39.421 1.00 0.00 C ATOM 78 C ASP A 6 -0.125 11.375 -38.484 1.00 0.00 C ATOM 79 O ASP A 6 -1.239 11.893 -38.573 1.00 0.00 O ATOM 80 CB ASP A 6 1.275 13.279 -39.296 1.00 0.00 C ATOM 81 CG ASP A 6 1.533 13.702 -37.860 1.00 0.00 C ATOM 82 OD1 ASP A 6 0.836 14.614 -37.368 1.00 0.00 O ATOM 83 OD2 ASP A 6 2.425 13.113 -37.212 1.00 0.00 O ATOM 0 H ASP A 6 0.342 12.188 -41.366 1.00 0.00 H new ATOM 0 HA ASP A 6 1.902 11.236 -39.136 1.00 0.00 H new ATOM 0 HB2 ASP A 6 2.137 13.540 -39.909 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.424 13.836 -39.689 1.00 0.00 H new ATOM 88 N GLU A 7 0.172 10.433 -37.605 1.00 0.00 N ATOM 89 CA GLU A 7 -0.774 9.995 -36.589 1.00 0.00 C ATOM 90 C GLU A 7 -0.663 10.869 -35.348 1.00 0.00 C ATOM 91 O GLU A 7 -1.474 10.759 -34.427 1.00 0.00 O ATOM 92 CB GLU A 7 -0.519 8.530 -36.227 1.00 0.00 C ATOM 93 CG GLU A 7 -1.565 7.575 -36.777 1.00 0.00 C ATOM 94 CD GLU A 7 -1.828 7.782 -38.252 1.00 0.00 C ATOM 95 OE1 GLU A 7 -1.022 7.314 -39.082 1.00 0.00 O ATOM 96 OE2 GLU A 7 -2.851 8.410 -38.588 1.00 0.00 O ATOM 0 H GLU A 7 1.071 9.951 -37.574 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.783 10.088 -36.991 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.461 8.237 -36.603 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.486 8.433 -35.142 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -1.237 6.549 -36.611 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -2.496 7.705 -36.225 1.00 0.00 H new ATOM 103 N ARG A 8 0.359 11.728 -35.342 1.00 0.00 N ATOM 104 CA ARG A 8 0.621 12.661 -34.247 1.00 0.00 C ATOM 105 C ARG A 8 1.053 11.933 -32.974 1.00 0.00 C ATOM 106 O ARG A 8 0.362 11.041 -32.477 1.00 0.00 O ATOM 107 CB ARG A 8 -0.594 13.560 -33.980 1.00 0.00 C ATOM 108 CG ARG A 8 -0.393 14.536 -32.834 1.00 0.00 C ATOM 109 CD ARG A 8 -1.434 15.641 -32.855 1.00 0.00 C ATOM 110 NE ARG A 8 -1.309 16.479 -34.049 1.00 0.00 N ATOM 111 CZ ARG A 8 -1.904 17.661 -34.200 1.00 0.00 C ATOM 112 NH1 ARG A 8 -2.697 18.143 -33.249 1.00 0.00 N ATOM 113 NH2 ARG A 8 -1.703 18.364 -35.306 1.00 0.00 N ATOM 0 H ARG A 8 1.033 11.795 -36.105 1.00 0.00 H new ATOM 0 HA ARG A 8 1.450 13.297 -34.557 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.826 14.120 -34.886 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -1.458 12.932 -33.763 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -0.447 14.001 -31.886 1.00 0.00 H new ATOM 0 HG3 ARG A 8 0.604 14.973 -32.897 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.431 15.202 -32.821 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.327 16.259 -31.964 1.00 0.00 H new ATOM 0 HE ARG A 8 -0.729 16.136 -34.814 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.854 17.607 -32.396 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -3.149 19.049 -33.372 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.094 17.999 -36.039 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.157 19.270 -35.424 1.00 0.00 H new ATOM 127 N ARG A 9 2.219 12.315 -32.471 1.00 0.00 N ATOM 128 CA ARG A 9 2.740 11.768 -31.225 1.00 0.00 C ATOM 129 C ARG A 9 1.802 12.106 -30.071 1.00 0.00 C ATOM 130 O ARG A 9 1.490 13.275 -29.835 1.00 0.00 O ATOM 131 CB ARG A 9 4.142 12.321 -30.955 1.00 0.00 C ATOM 132 CG ARG A 9 4.776 11.790 -29.684 1.00 0.00 C ATOM 133 CD ARG A 9 6.153 12.390 -29.457 1.00 0.00 C ATOM 134 NE ARG A 9 6.114 13.851 -29.412 1.00 0.00 N ATOM 135 CZ ARG A 9 6.833 14.594 -28.574 1.00 0.00 C ATOM 136 NH1 ARG A 9 7.635 14.016 -27.684 1.00 0.00 N ATOM 137 NH2 ARG A 9 6.742 15.915 -28.627 1.00 0.00 N ATOM 0 H ARG A 9 2.826 13.007 -32.910 1.00 0.00 H new ATOM 0 HA ARG A 9 2.804 10.683 -31.313 1.00 0.00 H new ATOM 0 HB2 ARG A 9 4.787 12.079 -31.800 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.088 13.408 -30.896 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.134 12.018 -28.833 1.00 0.00 H new ATOM 0 HG3 ARG A 9 4.856 10.704 -29.742 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.564 12.009 -28.522 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.824 12.070 -30.254 1.00 0.00 H new ATOM 0 HE ARG A 9 5.496 14.332 -30.065 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.701 12.999 -27.642 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.184 14.590 -27.044 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.124 16.357 -29.307 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.290 16.490 -27.987 1.00 0.00 H new ATOM 151 N ARG A 10 1.348 11.083 -29.364 1.00 0.00 N ATOM 152 CA ARG A 10 0.379 11.275 -28.296 1.00 0.00 C ATOM 153 C ARG A 10 1.074 11.433 -26.951 1.00 0.00 C ATOM 154 O ARG A 10 2.276 11.186 -26.826 1.00 0.00 O ATOM 155 CB ARG A 10 -0.604 10.103 -28.250 1.00 0.00 C ATOM 156 CG ARG A 10 -1.306 9.860 -29.577 1.00 0.00 C ATOM 157 CD ARG A 10 -2.359 8.769 -29.467 1.00 0.00 C ATOM 158 NE ARG A 10 -2.869 8.380 -30.779 1.00 0.00 N ATOM 159 CZ ARG A 10 -4.131 8.027 -31.026 1.00 0.00 C ATOM 160 NH1 ARG A 10 -5.039 8.047 -30.058 1.00 0.00 N ATOM 161 NH2 ARG A 10 -4.482 7.665 -32.253 1.00 0.00 N ATOM 0 H ARG A 10 1.634 10.115 -29.509 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.175 12.191 -28.503 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.069 9.199 -27.958 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.352 10.294 -27.480 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.774 10.784 -29.915 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.571 9.581 -30.331 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.931 7.899 -28.970 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.183 9.119 -28.845 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.214 8.378 -31.561 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.774 8.334 -29.116 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.002 7.775 -30.256 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.788 7.658 -33.001 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.446 7.394 -32.449 1.00 0.00 H new ATOM 175 N PHE A 11 0.311 11.846 -25.948 1.00 0.00 N ATOM 176 CA PHE A 11 0.849 12.066 -24.615 1.00 0.00 C ATOM 177 C PHE A 11 0.816 10.771 -23.811 1.00 0.00 C ATOM 178 O PHE A 11 -0.212 10.091 -23.750 1.00 0.00 O ATOM 179 CB PHE A 11 0.052 13.161 -23.895 1.00 0.00 C ATOM 180 CG PHE A 11 0.614 13.544 -22.553 1.00 0.00 C ATOM 181 CD1 PHE A 11 -0.001 13.128 -21.383 1.00 0.00 C ATOM 182 CD2 PHE A 11 1.756 14.326 -22.463 1.00 0.00 C ATOM 183 CE1 PHE A 11 0.511 13.482 -20.149 1.00 0.00 C ATOM 184 CE2 PHE A 11 2.274 14.683 -21.233 1.00 0.00 C ATOM 185 CZ PHE A 11 1.651 14.261 -20.074 1.00 0.00 C ATOM 0 H PHE A 11 -0.687 12.036 -26.035 1.00 0.00 H new ATOM 0 HA PHE A 11 1.885 12.392 -24.706 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.017 14.047 -24.529 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.976 12.822 -23.764 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -0.892 12.519 -21.436 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.246 14.660 -23.366 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.022 13.151 -19.245 1.00 0.00 H new ATOM 0 HE2 PHE A 11 3.165 15.291 -21.177 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.054 14.539 -19.111 1.00 0.00 H new ATOM 195 N HIS A 12 1.942 10.431 -23.210 1.00 0.00 N ATOM 196 CA HIS A 12 2.055 9.215 -22.421 1.00 0.00 C ATOM 197 C HIS A 12 1.296 9.343 -21.101 1.00 0.00 C ATOM 198 O HIS A 12 1.573 10.234 -20.297 1.00 0.00 O ATOM 199 CB HIS A 12 3.532 8.892 -22.161 1.00 0.00 C ATOM 200 CG HIS A 12 3.760 7.621 -21.395 1.00 0.00 C ATOM 201 ND1 HIS A 12 4.561 7.549 -20.274 1.00 0.00 N ATOM 202 CD2 HIS A 12 3.299 6.364 -21.602 1.00 0.00 C ATOM 203 CE1 HIS A 12 4.582 6.306 -19.827 1.00 0.00 C ATOM 204 NE2 HIS A 12 3.822 5.569 -20.616 1.00 0.00 N ATOM 0 H HIS A 12 2.798 10.984 -23.253 1.00 0.00 H new ATOM 0 HA HIS A 12 1.608 8.397 -22.986 1.00 0.00 H new ATOM 0 HB2 HIS A 12 4.051 8.824 -23.117 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.982 9.719 -21.612 1.00 0.00 H new ATOM 0 HD2 HIS A 12 2.641 6.047 -22.397 1.00 0.00 H new ATOM 0 HE1 HIS A 12 5.127 5.953 -18.964 1.00 0.00 H new ATOM 0 HE2 HIS A 12 3.652 4.569 -20.509 1.00 0.00 H new ATOM 213 N ARG A 13 0.330 8.454 -20.903 1.00 0.00 N ATOM 214 CA ARG A 13 -0.417 8.386 -19.650 1.00 0.00 C ATOM 215 C ARG A 13 0.506 7.976 -18.507 1.00 0.00 C ATOM 216 O ARG A 13 1.638 7.544 -18.742 1.00 0.00 O ATOM 217 CB ARG A 13 -1.569 7.383 -19.774 1.00 0.00 C ATOM 218 CG ARG A 13 -2.657 7.817 -20.742 1.00 0.00 C ATOM 219 CD ARG A 13 -3.469 8.972 -20.183 1.00 0.00 C ATOM 220 NE ARG A 13 -4.487 9.430 -21.127 1.00 0.00 N ATOM 221 CZ ARG A 13 -5.697 8.886 -21.251 1.00 0.00 C ATOM 222 NH1 ARG A 13 -6.053 7.865 -20.478 1.00 0.00 N ATOM 223 NH2 ARG A 13 -6.545 9.377 -22.144 1.00 0.00 N ATOM 0 H ARG A 13 0.043 7.765 -21.599 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.828 9.373 -19.437 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.169 6.422 -20.098 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.011 7.228 -18.790 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.206 8.112 -21.689 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.316 6.975 -20.952 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.948 8.663 -19.254 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.803 9.799 -19.938 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.256 10.219 -21.731 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.399 7.496 -19.788 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.980 7.451 -20.575 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.269 10.165 -22.730 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.473 8.966 -22.245 1.00 0.00 H new ATOM 237 N ILE A 14 0.028 8.099 -17.273 1.00 0.00 N ATOM 238 CA ILE A 14 0.845 7.731 -16.132 1.00 0.00 C ATOM 239 C ILE A 14 0.867 6.208 -15.982 1.00 0.00 C ATOM 240 O ILE A 14 0.037 5.592 -15.317 1.00 0.00 O ATOM 241 CB ILE A 14 0.374 8.437 -14.829 1.00 0.00 C ATOM 242 CG1 ILE A 14 1.333 8.133 -13.675 1.00 0.00 C ATOM 243 CG2 ILE A 14 -1.049 8.040 -14.457 1.00 0.00 C ATOM 244 CD1 ILE A 14 1.027 8.908 -12.408 1.00 0.00 C ATOM 0 H ILE A 14 -0.904 8.444 -17.044 1.00 0.00 H new ATOM 0 HA ILE A 14 1.864 8.075 -16.311 1.00 0.00 H new ATOM 0 HB ILE A 14 0.380 9.511 -15.017 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.297 7.066 -13.455 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.351 8.359 -13.991 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -1.342 8.553 -13.541 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.727 8.320 -15.263 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.097 6.962 -14.300 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.747 8.641 -11.635 1.00 0.00 H new ATOM 0 HD12 ILE A 14 1.092 9.977 -12.611 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.021 8.664 -12.066 1.00 0.00 H new ATOM 256 N ALA A 15 1.832 5.606 -16.646 1.00 0.00 N ATOM 257 CA ALA A 15 1.995 4.171 -16.629 1.00 0.00 C ATOM 258 C ALA A 15 3.467 3.836 -16.522 1.00 0.00 C ATOM 259 O ALA A 15 4.212 3.934 -17.498 1.00 0.00 O ATOM 260 CB ALA A 15 1.387 3.544 -17.875 1.00 0.00 C ATOM 0 H ALA A 15 2.523 6.099 -17.211 1.00 0.00 H new ATOM 0 HA ALA A 15 1.472 3.762 -15.765 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.521 2.463 -17.841 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.323 3.776 -17.917 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.881 3.943 -18.761 1.00 0.00 H new ATOM 266 N PHE A 16 3.883 3.484 -15.323 1.00 0.00 N ATOM 267 CA PHE A 16 5.275 3.168 -15.056 1.00 0.00 C ATOM 268 C PHE A 16 5.604 1.780 -15.579 1.00 0.00 C ATOM 269 O PHE A 16 4.705 1.002 -15.901 1.00 0.00 O ATOM 270 CB PHE A 16 5.547 3.213 -13.550 1.00 0.00 C ATOM 271 CG PHE A 16 5.071 4.464 -12.868 1.00 0.00 C ATOM 272 CD1 PHE A 16 5.936 5.520 -12.648 1.00 0.00 C ATOM 273 CD2 PHE A 16 3.761 4.573 -12.428 1.00 0.00 C ATOM 274 CE1 PHE A 16 5.506 6.663 -12.002 1.00 0.00 C ATOM 275 CE2 PHE A 16 3.326 5.708 -11.787 1.00 0.00 C ATOM 276 CZ PHE A 16 4.198 6.756 -11.569 1.00 0.00 C ATOM 0 H PHE A 16 3.272 3.409 -14.510 1.00 0.00 H new ATOM 0 HA PHE A 16 5.899 3.906 -15.560 1.00 0.00 H new ATOM 0 HB2 PHE A 16 5.067 2.354 -13.081 1.00 0.00 H new ATOM 0 HB3 PHE A 16 6.619 3.109 -13.384 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.960 5.451 -12.985 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.074 3.756 -12.591 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.191 7.481 -11.836 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.301 5.780 -11.454 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.858 7.646 -11.061 1.00 0.00 H new ATOM 286 N ASP A 17 6.888 1.464 -15.643 1.00 0.00 N ATOM 287 CA ASP A 17 7.328 0.107 -15.956 1.00 0.00 C ATOM 288 C ASP A 17 7.230 -0.742 -14.693 1.00 0.00 C ATOM 289 O ASP A 17 8.145 -1.492 -14.342 1.00 0.00 O ATOM 290 CB ASP A 17 8.761 0.111 -16.499 1.00 0.00 C ATOM 291 CG ASP A 17 8.891 0.869 -17.805 1.00 0.00 C ATOM 292 OD1 ASP A 17 9.277 2.060 -17.767 1.00 0.00 O ATOM 293 OD2 ASP A 17 8.612 0.283 -18.872 1.00 0.00 O ATOM 0 H ASP A 17 7.647 2.127 -15.483 1.00 0.00 H new ATOM 0 HA ASP A 17 6.687 -0.315 -16.730 1.00 0.00 H new ATOM 0 HB2 ASP A 17 9.424 0.557 -15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.092 -0.917 -16.646 1.00 0.00 H new ATOM 298 N ALA A 18 6.091 -0.613 -14.028 1.00 0.00 N ATOM 299 CA ALA A 18 5.855 -1.234 -12.744 1.00 0.00 C ATOM 300 C ALA A 18 5.098 -2.539 -12.915 1.00 0.00 C ATOM 301 O ALA A 18 4.253 -2.667 -13.804 1.00 0.00 O ATOM 302 CB ALA A 18 5.074 -0.277 -11.847 1.00 0.00 C ATOM 0 H ALA A 18 5.301 -0.068 -14.373 1.00 0.00 H new ATOM 0 HA ALA A 18 6.814 -1.457 -12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.897 -0.747 -10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.648 0.639 -11.706 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.119 -0.038 -12.314 1.00 0.00 H new ATOM 308 N ASP A 19 5.418 -3.515 -12.084 1.00 0.00 N ATOM 309 CA ASP A 19 4.697 -4.779 -12.088 1.00 0.00 C ATOM 310 C ASP A 19 3.550 -4.716 -11.101 1.00 0.00 C ATOM 311 O ASP A 19 3.761 -4.521 -9.906 1.00 0.00 O ATOM 312 CB ASP A 19 5.628 -5.949 -11.753 1.00 0.00 C ATOM 313 CG ASP A 19 6.563 -6.284 -12.894 1.00 0.00 C ATOM 314 OD1 ASP A 19 7.774 -6.008 -12.782 1.00 0.00 O ATOM 315 OD2 ASP A 19 6.087 -6.822 -13.913 1.00 0.00 O ATOM 0 H ASP A 19 6.171 -3.459 -11.398 1.00 0.00 H new ATOM 0 HA ASP A 19 4.301 -4.947 -13.089 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.213 -5.702 -10.867 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.031 -6.827 -11.506 1.00 0.00 H new ATOM 320 N SER A 20 2.338 -4.860 -11.607 1.00 0.00 N ATOM 321 CA SER A 20 1.154 -4.755 -10.776 1.00 0.00 C ATOM 322 C SER A 20 0.531 -6.124 -10.562 1.00 0.00 C ATOM 323 O SER A 20 0.073 -6.759 -11.509 1.00 0.00 O ATOM 324 CB SER A 20 0.141 -3.812 -11.431 1.00 0.00 C ATOM 325 OG SER A 20 -0.994 -3.607 -10.603 1.00 0.00 O ATOM 0 H SER A 20 2.149 -5.050 -12.591 1.00 0.00 H new ATOM 0 HA SER A 20 1.442 -4.351 -9.805 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.617 -2.854 -11.640 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.176 -4.226 -12.388 1.00 0.00 H new ATOM 0 HG SER A 20 -1.620 -2.999 -11.050 1.00 0.00 H new ATOM 331 N GLU A 21 0.531 -6.582 -9.324 1.00 0.00 N ATOM 332 CA GLU A 21 -0.112 -7.840 -8.989 1.00 0.00 C ATOM 333 C GLU A 21 -1.409 -7.584 -8.242 1.00 0.00 C ATOM 334 O GLU A 21 -1.436 -6.824 -7.270 1.00 0.00 O ATOM 335 CB GLU A 21 0.798 -8.711 -8.125 1.00 0.00 C ATOM 336 CG GLU A 21 2.136 -9.033 -8.759 1.00 0.00 C ATOM 337 CD GLU A 21 2.944 -9.997 -7.921 1.00 0.00 C ATOM 338 OE1 GLU A 21 3.116 -9.739 -6.713 1.00 0.00 O ATOM 339 OE2 GLU A 21 3.413 -11.017 -8.460 1.00 0.00 O ATOM 0 H GLU A 21 0.967 -6.104 -8.536 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.320 -8.364 -9.922 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.971 -8.205 -7.175 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.282 -9.644 -7.900 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.974 -9.461 -9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.702 -8.112 -8.898 1.00 0.00 H new ATOM 346 N ILE A 22 -2.479 -8.207 -8.696 1.00 0.00 N ATOM 347 CA ILE A 22 -3.738 -8.161 -7.982 1.00 0.00 C ATOM 348 C ILE A 22 -3.872 -9.406 -7.130 1.00 0.00 C ATOM 349 O ILE A 22 -3.921 -10.524 -7.646 1.00 0.00 O ATOM 350 CB ILE A 22 -4.945 -8.034 -8.935 1.00 0.00 C ATOM 351 CG1 ILE A 22 -4.870 -6.712 -9.696 1.00 0.00 C ATOM 352 CG2 ILE A 22 -6.253 -8.130 -8.157 1.00 0.00 C ATOM 353 CD1 ILE A 22 -5.984 -6.522 -10.704 1.00 0.00 C ATOM 0 H ILE A 22 -2.501 -8.752 -9.558 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.737 -7.272 -7.351 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.915 -8.854 -9.652 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.896 -5.890 -8.981 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.912 -6.655 -10.213 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.093 -8.038 -8.845 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.304 -9.093 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.298 -7.328 -7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.863 -5.561 -11.204 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.947 -7.322 -11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.946 -6.546 -10.192 1.00 0.00 H new ATOM 365 N LEU A 23 -3.896 -9.217 -5.826 1.00 0.00 N ATOM 366 CA LEU A 23 -3.912 -10.329 -4.904 1.00 0.00 C ATOM 367 C LEU A 23 -5.319 -10.547 -4.369 1.00 0.00 C ATOM 368 O LEU A 23 -6.021 -9.591 -4.035 1.00 0.00 O ATOM 369 CB LEU A 23 -2.955 -10.071 -3.733 1.00 0.00 C ATOM 370 CG LEU A 23 -1.659 -9.331 -4.087 1.00 0.00 C ATOM 371 CD1 LEU A 23 -0.896 -8.965 -2.828 1.00 0.00 C ATOM 372 CD2 LEU A 23 -0.785 -10.172 -5.001 1.00 0.00 C ATOM 0 H LEU A 23 -3.905 -8.299 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.586 -11.221 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.485 -9.496 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.694 -11.029 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.928 -8.416 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.021 -8.441 -3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.513 -8.319 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.647 -9.872 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.127 -9.624 -5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.529 -11.106 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.326 -10.390 -5.922 1.00 0.00 H new ATOM 384 N GLN A 24 -5.737 -11.796 -4.321 1.00 0.00 N ATOM 385 CA GLN A 24 -6.979 -12.150 -3.663 1.00 0.00 C ATOM 386 C GLN A 24 -6.666 -13.062 -2.487 1.00 0.00 C ATOM 387 O GLN A 24 -6.801 -14.284 -2.579 1.00 0.00 O ATOM 388 CB GLN A 24 -7.949 -12.842 -4.627 1.00 0.00 C ATOM 389 CG GLN A 24 -9.352 -13.007 -4.060 1.00 0.00 C ATOM 390 CD GLN A 24 -10.098 -11.690 -3.958 1.00 0.00 C ATOM 391 OE1 GLN A 24 -10.792 -11.291 -4.891 1.00 0.00 O ATOM 392 NE2 GLN A 24 -9.962 -11.010 -2.831 1.00 0.00 N ATOM 0 H GLN A 24 -5.234 -12.584 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.464 -11.239 -3.313 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -8.004 -12.266 -5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.553 -13.824 -4.887 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.917 -13.692 -4.692 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.289 -13.462 -3.072 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.376 -11.377 -2.081 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.443 -10.119 -2.712 1.00 0.00 H new ATOM 401 N GLY A 25 -6.189 -12.465 -1.405 1.00 0.00 N ATOM 402 CA GLY A 25 -5.800 -13.236 -0.245 1.00 0.00 C ATOM 403 C GLY A 25 -4.479 -13.948 -0.450 1.00 0.00 C ATOM 404 O GLY A 25 -3.455 -13.541 0.094 1.00 0.00 O ATOM 0 H GLY A 25 -6.064 -11.457 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.725 -12.576 0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.575 -13.969 -0.021 1.00 0.00 H new ATOM 408 N GLU A 26 -4.503 -15.004 -1.251 1.00 0.00 N ATOM 409 CA GLU A 26 -3.317 -15.818 -1.484 1.00 0.00 C ATOM 410 C GLU A 26 -2.923 -15.820 -2.959 1.00 0.00 C ATOM 411 O GLU A 26 -1.740 -15.827 -3.295 1.00 0.00 O ATOM 412 CB GLU A 26 -3.579 -17.253 -1.031 1.00 0.00 C ATOM 413 CG GLU A 26 -4.025 -17.366 0.414 1.00 0.00 C ATOM 414 CD GLU A 26 -4.513 -18.754 0.752 1.00 0.00 C ATOM 415 OE1 GLU A 26 -5.686 -19.061 0.457 1.00 0.00 O ATOM 416 OE2 GLU A 26 -3.729 -19.546 1.312 1.00 0.00 O ATOM 0 H GLU A 26 -5.334 -15.318 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.497 -15.387 -0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.342 -17.693 -1.673 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.670 -17.839 -1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.195 -17.104 1.070 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.821 -16.646 0.604 1.00 0.00 H new ATOM 423 N ARG A 27 -3.917 -15.804 -3.840 1.00 0.00 N ATOM 424 CA ARG A 27 -3.662 -15.963 -5.264 1.00 0.00 C ATOM 425 C ARG A 27 -3.430 -14.606 -5.924 1.00 0.00 C ATOM 426 O ARG A 27 -4.209 -13.672 -5.729 1.00 0.00 O ATOM 427 CB ARG A 27 -4.826 -16.695 -5.936 1.00 0.00 C ATOM 428 CG ARG A 27 -4.465 -17.291 -7.285 1.00 0.00 C ATOM 429 CD ARG A 27 -5.615 -18.092 -7.872 1.00 0.00 C ATOM 430 NE ARG A 27 -5.193 -18.881 -9.027 1.00 0.00 N ATOM 431 CZ ARG A 27 -6.023 -19.374 -9.948 1.00 0.00 C ATOM 432 NH1 ARG A 27 -7.334 -19.175 -9.849 1.00 0.00 N ATOM 433 NH2 ARG A 27 -5.544 -20.080 -10.963 1.00 0.00 N ATOM 0 H ARG A 27 -4.900 -15.683 -3.594 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.759 -16.562 -5.387 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.174 -17.490 -5.277 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.657 -16.001 -6.064 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.189 -16.492 -7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.592 -17.934 -7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -6.023 -18.755 -7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.416 -17.415 -8.168 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.196 -19.068 -9.137 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.711 -18.642 -9.065 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.962 -19.555 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.541 -20.246 -11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.179 -20.457 -11.667 1.00 0.00 H new ATOM 447 N ARG A 28 -2.351 -14.504 -6.691 1.00 0.00 N ATOM 448 CA ARG A 28 -1.977 -13.249 -7.328 1.00 0.00 C ATOM 449 C ARG A 28 -2.119 -13.323 -8.842 1.00 0.00 C ATOM 450 O ARG A 28 -1.814 -14.347 -9.460 1.00 0.00 O ATOM 451 CB ARG A 28 -0.536 -12.884 -6.964 1.00 0.00 C ATOM 452 CG ARG A 28 0.467 -13.984 -7.265 1.00 0.00 C ATOM 453 CD ARG A 28 1.888 -13.544 -6.960 1.00 0.00 C ATOM 454 NE ARG A 28 2.835 -14.645 -7.106 1.00 0.00 N ATOM 455 CZ ARG A 28 3.854 -14.649 -7.966 1.00 0.00 C ATOM 456 NH1 ARG A 28 4.079 -13.602 -8.750 1.00 0.00 N ATOM 457 NH2 ARG A 28 4.662 -15.696 -8.031 1.00 0.00 N ATOM 0 H ARG A 28 -1.718 -15.279 -6.887 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.655 -12.478 -6.962 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.250 -11.984 -7.509 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.489 -12.642 -5.902 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.225 -14.869 -6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.391 -14.269 -8.314 1.00 0.00 H new ATOM 0 HD2 ARG A 28 2.169 -12.731 -7.629 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.938 -13.153 -5.944 1.00 0.00 H new ATOM 0 HE ARG A 28 2.709 -15.464 -6.512 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.470 -12.785 -8.698 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.861 -13.614 -9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.505 -16.500 -7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.441 -15.699 -8.689 1.00 0.00 H new ATOM 471 N TRP A 29 -2.604 -12.239 -9.427 1.00 0.00 N ATOM 472 CA TRP A 29 -2.691 -12.110 -10.874 1.00 0.00 C ATOM 473 C TRP A 29 -1.971 -10.848 -11.337 1.00 0.00 C ATOM 474 O TRP A 29 -2.407 -9.735 -11.040 1.00 0.00 O ATOM 475 CB TRP A 29 -4.152 -12.052 -11.331 1.00 0.00 C ATOM 476 CG TRP A 29 -4.935 -13.297 -11.042 1.00 0.00 C ATOM 477 CD1 TRP A 29 -4.899 -14.464 -11.745 1.00 0.00 C ATOM 478 CD2 TRP A 29 -5.884 -13.491 -9.987 1.00 0.00 C ATOM 479 NE1 TRP A 29 -5.765 -15.376 -11.191 1.00 0.00 N ATOM 480 CE2 TRP A 29 -6.381 -14.803 -10.110 1.00 0.00 C ATOM 481 CE3 TRP A 29 -6.358 -12.686 -8.950 1.00 0.00 C ATOM 482 CZ2 TRP A 29 -7.329 -15.324 -9.235 1.00 0.00 C ATOM 483 CZ3 TRP A 29 -7.299 -13.204 -8.082 1.00 0.00 C ATOM 484 CH2 TRP A 29 -7.775 -14.513 -8.228 1.00 0.00 C ATOM 0 H TRP A 29 -2.947 -11.426 -8.915 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.216 -12.986 -11.316 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.640 -11.208 -10.844 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.178 -11.860 -12.404 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.280 -14.646 -12.611 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.923 -16.325 -11.530 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.995 -11.676 -8.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.699 -16.332 -9.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.674 -12.589 -7.277 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -8.509 -14.890 -7.531 1.00 0.00 H new ATOM 495 N GLU A 30 -0.851 -11.018 -12.030 1.00 0.00 N ATOM 496 CA GLU A 30 -0.155 -9.885 -12.623 1.00 0.00 C ATOM 497 C GLU A 30 -0.991 -9.277 -13.744 1.00 0.00 C ATOM 498 O GLU A 30 -1.337 -9.949 -14.716 1.00 0.00 O ATOM 499 CB GLU A 30 1.224 -10.284 -13.154 1.00 0.00 C ATOM 500 CG GLU A 30 2.219 -10.655 -12.064 1.00 0.00 C ATOM 501 CD GLU A 30 2.255 -12.140 -11.760 1.00 0.00 C ATOM 502 OE1 GLU A 30 3.355 -12.729 -11.830 1.00 0.00 O ATOM 503 OE2 GLU A 30 1.193 -12.721 -11.460 1.00 0.00 O ATOM 0 H GLU A 30 -0.409 -11.923 -12.194 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.009 -9.142 -11.839 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.111 -11.130 -13.833 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.631 -9.459 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.215 -10.329 -12.365 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.968 -10.111 -11.153 1.00 0.00 H new ATOM 510 N VAL A 31 -1.311 -8.007 -13.592 1.00 0.00 N ATOM 511 CA VAL A 31 -2.184 -7.313 -14.523 1.00 0.00 C ATOM 512 C VAL A 31 -1.424 -6.180 -15.218 1.00 0.00 C ATOM 513 O VAL A 31 -0.369 -5.754 -14.745 1.00 0.00 O ATOM 514 CB VAL A 31 -3.419 -6.752 -13.779 1.00 0.00 C ATOM 515 CG1 VAL A 31 -3.018 -5.642 -12.820 1.00 0.00 C ATOM 516 CG2 VAL A 31 -4.482 -6.273 -14.752 1.00 0.00 C ATOM 0 H VAL A 31 -0.975 -7.427 -12.823 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.523 -8.021 -15.280 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.850 -7.565 -13.194 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.904 -5.265 -12.309 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.314 -6.033 -12.085 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.548 -4.832 -13.377 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.336 -5.885 -14.196 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.070 -5.484 -15.382 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.804 -7.105 -15.378 1.00 0.00 H new ATOM 526 N LEU A 32 -1.950 -5.705 -16.340 1.00 0.00 N ATOM 527 CA LEU A 32 -1.320 -4.623 -17.082 1.00 0.00 C ATOM 528 C LEU A 32 -1.843 -3.272 -16.612 1.00 0.00 C ATOM 529 O LEU A 32 -3.042 -2.989 -16.714 1.00 0.00 O ATOM 530 CB LEU A 32 -1.571 -4.759 -18.592 1.00 0.00 C ATOM 531 CG LEU A 32 -0.899 -5.945 -19.296 1.00 0.00 C ATOM 532 CD1 LEU A 32 -1.567 -7.263 -18.930 1.00 0.00 C ATOM 533 CD2 LEU A 32 -0.925 -5.733 -20.801 1.00 0.00 C ATOM 0 H LEU A 32 -2.814 -6.054 -16.756 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.248 -4.686 -16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.647 -4.832 -18.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.237 -3.842 -19.077 1.00 0.00 H new ATOM 0 HG LEU A 32 0.136 -5.999 -18.959 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.065 -8.081 -19.447 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.500 -7.418 -17.853 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.615 -7.235 -19.228 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.446 -6.578 -21.296 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.958 -5.652 -21.139 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.389 -4.817 -21.049 1.00 0.00 H new ATOM 545 N LEU A 33 -0.944 -2.444 -16.099 1.00 0.00 N ATOM 546 CA LEU A 33 -1.294 -1.097 -15.670 1.00 0.00 C ATOM 547 C LEU A 33 -1.586 -0.211 -16.881 1.00 0.00 C ATOM 548 O LEU A 33 -0.998 -0.391 -17.948 1.00 0.00 O ATOM 549 CB LEU A 33 -0.151 -0.501 -14.839 1.00 0.00 C ATOM 550 CG LEU A 33 -0.370 0.932 -14.346 1.00 0.00 C ATOM 551 CD1 LEU A 33 -1.556 1.000 -13.398 1.00 0.00 C ATOM 552 CD2 LEU A 33 0.886 1.457 -13.669 1.00 0.00 C ATOM 0 H LEU A 33 0.039 -2.683 -15.969 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.192 -1.146 -15.054 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.018 -1.142 -13.974 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.760 -0.525 -15.437 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.588 1.562 -15.208 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.693 2.027 -13.060 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.455 0.665 -13.915 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.371 0.357 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.714 2.477 -13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.133 0.823 -12.818 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.713 1.449 -14.379 1.00 0.00 H new ATOM 564 N HIS A 34 -2.518 0.720 -16.725 1.00 0.00 N ATOM 565 CA HIS A 34 -2.829 1.675 -17.784 1.00 0.00 C ATOM 566 C HIS A 34 -2.801 3.101 -17.249 1.00 0.00 C ATOM 567 O HIS A 34 -2.259 4.000 -17.891 1.00 0.00 O ATOM 568 CB HIS A 34 -4.194 1.370 -18.414 1.00 0.00 C ATOM 569 CG HIS A 34 -4.174 0.203 -19.360 1.00 0.00 C ATOM 570 ND1 HIS A 34 -4.011 0.344 -20.724 1.00 0.00 N ATOM 571 CD2 HIS A 34 -4.308 -1.129 -19.141 1.00 0.00 C ATOM 572 CE1 HIS A 34 -4.044 -0.845 -21.299 1.00 0.00 C ATOM 573 NE2 HIS A 34 -4.222 -1.755 -20.362 1.00 0.00 N ATOM 0 H HIS A 34 -3.072 0.835 -15.877 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.066 1.579 -18.556 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.914 1.171 -17.621 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.544 2.254 -18.948 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.455 -1.609 -18.185 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.942 -1.038 -22.357 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.286 -2.761 -20.518 1.00 0.00 H new ATOM 582 N ASP A 35 -3.395 3.298 -16.080 1.00 0.00 N ATOM 583 CA ASP A 35 -3.401 4.600 -15.420 1.00 0.00 C ATOM 584 C ASP A 35 -3.527 4.385 -13.914 1.00 0.00 C ATOM 585 O ASP A 35 -4.269 3.506 -13.476 1.00 0.00 O ATOM 586 CB ASP A 35 -4.565 5.461 -15.939 1.00 0.00 C ATOM 587 CG ASP A 35 -4.475 6.920 -15.510 1.00 0.00 C ATOM 588 OD1 ASP A 35 -4.576 7.201 -14.300 1.00 0.00 O ATOM 589 OD2 ASP A 35 -4.325 7.801 -16.390 1.00 0.00 O ATOM 0 H ASP A 35 -3.884 2.566 -15.564 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.472 5.126 -15.639 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.588 5.411 -17.028 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.505 5.042 -15.581 1.00 0.00 H new ATOM 594 N VAL A 36 -2.783 5.145 -13.128 1.00 0.00 N ATOM 595 CA VAL A 36 -2.825 5.011 -11.677 1.00 0.00 C ATOM 596 C VAL A 36 -2.827 6.390 -11.023 1.00 0.00 C ATOM 597 O VAL A 36 -2.141 7.305 -11.481 1.00 0.00 O ATOM 598 CB VAL A 36 -1.642 4.164 -11.149 1.00 0.00 C ATOM 599 CG1 VAL A 36 -0.305 4.793 -11.508 1.00 0.00 C ATOM 600 CG2 VAL A 36 -1.755 3.956 -9.647 1.00 0.00 C ATOM 0 H VAL A 36 -2.142 5.862 -13.468 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.746 4.490 -11.415 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.690 3.189 -11.635 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.504 4.173 -11.122 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.218 4.870 -12.592 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.241 5.788 -11.068 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.913 3.358 -9.298 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.747 4.923 -9.144 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.687 3.438 -9.421 1.00 0.00 H new ATOM 610 N SER A 37 -3.604 6.553 -9.959 1.00 0.00 N ATOM 611 CA SER A 37 -3.752 7.860 -9.352 1.00 0.00 C ATOM 612 C SER A 37 -4.053 7.748 -7.851 1.00 0.00 C ATOM 613 O SER A 37 -3.996 6.664 -7.273 1.00 0.00 O ATOM 614 CB SER A 37 -4.856 8.628 -10.085 1.00 0.00 C ATOM 615 OG SER A 37 -4.769 10.016 -9.845 1.00 0.00 O ATOM 0 H SER A 37 -4.132 5.806 -9.508 1.00 0.00 H new ATOM 0 HA SER A 37 -2.813 8.406 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.783 8.438 -11.156 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.831 8.262 -9.762 1.00 0.00 H new ATOM 0 HG SER A 37 -5.625 10.440 -10.064 1.00 0.00 H new ATOM 621 N LEU A 38 -4.413 8.875 -7.245 1.00 0.00 N ATOM 622 CA LEU A 38 -4.560 8.982 -5.793 1.00 0.00 C ATOM 623 C LEU A 38 -5.990 8.649 -5.370 1.00 0.00 C ATOM 624 O LEU A 38 -6.396 8.858 -4.229 1.00 0.00 O ATOM 625 CB LEU A 38 -4.183 10.406 -5.355 1.00 0.00 C ATOM 626 CG LEU A 38 -4.207 10.664 -3.849 1.00 0.00 C ATOM 627 CD1 LEU A 38 -3.337 9.654 -3.130 1.00 0.00 C ATOM 628 CD2 LEU A 38 -3.746 12.078 -3.543 1.00 0.00 C ATOM 0 H LEU A 38 -4.612 9.742 -7.745 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.896 8.266 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.183 10.628 -5.727 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.865 11.107 -5.836 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.232 10.554 -3.494 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.363 9.849 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.710 8.648 -3.325 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.311 9.736 -3.489 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.770 12.243 -2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.729 12.216 -3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.408 12.791 -4.034 1.00 0.00 H new ATOM 640 N HIS A 39 -6.743 8.124 -6.309 1.00 0.00 N ATOM 641 CA HIS A 39 -8.157 7.808 -6.085 1.00 0.00 C ATOM 642 C HIS A 39 -8.514 6.475 -6.720 1.00 0.00 C ATOM 643 O HIS A 39 -9.682 6.186 -6.963 1.00 0.00 O ATOM 644 CB HIS A 39 -9.052 8.912 -6.661 1.00 0.00 C ATOM 645 CG HIS A 39 -8.555 9.426 -7.964 1.00 0.00 C ATOM 646 ND1 HIS A 39 -9.078 9.044 -9.172 1.00 0.00 N ATOM 647 CD2 HIS A 39 -7.528 10.259 -8.238 1.00 0.00 C ATOM 648 CE1 HIS A 39 -8.389 9.614 -10.138 1.00 0.00 C ATOM 649 NE2 HIS A 39 -7.441 10.360 -9.600 1.00 0.00 N ATOM 0 H HIS A 39 -6.407 7.901 -7.246 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.323 7.742 -5.010 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -10.063 8.526 -6.788 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.112 9.735 -5.949 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -9.873 8.419 -9.302 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.894 10.753 -7.517 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -8.569 9.492 -11.196 1.00 0.00 H new ATOM 658 N GLY A 40 -7.504 5.668 -6.993 1.00 0.00 N ATOM 659 CA GLY A 40 -7.747 4.374 -7.580 1.00 0.00 C ATOM 660 C GLY A 40 -6.749 4.023 -8.655 1.00 0.00 C ATOM 661 O GLY A 40 -5.702 4.661 -8.774 1.00 0.00 O ATOM 0 H GLY A 40 -6.523 5.886 -6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.715 3.614 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.751 4.355 -8.003 1.00 0.00 H new ATOM 665 N ILE A 41 -7.089 3.028 -9.455 1.00 0.00 N ATOM 666 CA ILE A 41 -6.174 2.499 -10.456 1.00 0.00 C ATOM 667 C ILE A 41 -6.950 1.789 -11.565 1.00 0.00 C ATOM 668 O ILE A 41 -7.935 1.096 -11.298 1.00 0.00 O ATOM 669 CB ILE A 41 -5.143 1.535 -9.809 1.00 0.00 C ATOM 670 CG1 ILE A 41 -4.224 0.913 -10.868 1.00 0.00 C ATOM 671 CG2 ILE A 41 -5.844 0.450 -9.002 1.00 0.00 C ATOM 672 CD1 ILE A 41 -3.163 0.000 -10.286 1.00 0.00 C ATOM 0 H ILE A 41 -7.998 2.566 -9.432 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.628 3.334 -10.894 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.524 2.121 -9.129 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.830 0.348 -11.577 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.738 1.711 -11.429 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.100 -0.212 -8.559 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.437 0.910 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.498 -0.126 -9.657 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.550 -0.405 -11.091 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.533 0.566 -9.599 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.642 -0.818 -9.749 1.00 0.00 H new ATOM 684 N LEU A 42 -6.516 1.994 -12.801 1.00 0.00 N ATOM 685 CA LEU A 42 -7.171 1.415 -13.963 1.00 0.00 C ATOM 686 C LEU A 42 -6.245 0.420 -14.659 1.00 0.00 C ATOM 687 O LEU A 42 -5.167 0.789 -15.142 1.00 0.00 O ATOM 688 CB LEU A 42 -7.571 2.524 -14.941 1.00 0.00 C ATOM 689 CG LEU A 42 -8.312 2.054 -16.192 1.00 0.00 C ATOM 690 CD1 LEU A 42 -9.708 1.565 -15.838 1.00 0.00 C ATOM 691 CD2 LEU A 42 -8.379 3.170 -17.220 1.00 0.00 C ATOM 0 H LEU A 42 -5.701 2.565 -13.025 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.065 0.886 -13.631 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.200 3.241 -14.414 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.671 3.056 -15.250 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.760 1.220 -16.625 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -10.218 1.235 -16.743 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.635 0.732 -15.138 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.272 2.377 -15.379 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.910 2.818 -18.105 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.907 4.024 -16.796 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.369 3.469 -17.498 1.00 0.00 H new ATOM 703 N VAL A 43 -6.661 -0.837 -14.715 1.00 0.00 N ATOM 704 CA VAL A 43 -5.845 -1.879 -15.320 1.00 0.00 C ATOM 705 C VAL A 43 -6.628 -2.650 -16.377 1.00 0.00 C ATOM 706 O VAL A 43 -7.840 -2.485 -16.508 1.00 0.00 O ATOM 707 CB VAL A 43 -5.315 -2.870 -14.265 1.00 0.00 C ATOM 708 CG1 VAL A 43 -4.348 -2.183 -13.315 1.00 0.00 C ATOM 709 CG2 VAL A 43 -6.465 -3.496 -13.492 1.00 0.00 C ATOM 0 H VAL A 43 -7.557 -1.159 -14.350 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.999 -1.378 -15.791 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.777 -3.662 -14.786 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.988 -2.902 -12.580 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.504 -1.787 -13.879 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.858 -1.367 -12.804 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.070 -4.192 -12.752 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.033 -2.714 -12.987 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.118 -4.031 -14.181 1.00 0.00 H new ATOM 719 N GLY A 44 -5.925 -3.481 -17.133 1.00 0.00 N ATOM 720 CA GLY A 44 -6.571 -4.316 -18.126 1.00 0.00 C ATOM 721 C GLY A 44 -6.460 -5.779 -17.766 1.00 0.00 C ATOM 722 O GLY A 44 -5.380 -6.364 -17.870 1.00 0.00 O ATOM 0 H GLY A 44 -4.913 -3.592 -17.076 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.622 -4.038 -18.210 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.116 -4.143 -19.101 1.00 0.00 H new ATOM 726 N GLN A 45 -7.565 -6.369 -17.338 1.00 0.00 N ATOM 727 CA GLN A 45 -7.550 -7.730 -16.820 1.00 0.00 C ATOM 728 C GLN A 45 -8.517 -8.626 -17.586 1.00 0.00 C ATOM 729 O GLN A 45 -9.733 -8.459 -17.495 1.00 0.00 O ATOM 730 CB GLN A 45 -7.929 -7.721 -15.338 1.00 0.00 C ATOM 731 CG GLN A 45 -7.787 -9.068 -14.642 1.00 0.00 C ATOM 732 CD GLN A 45 -6.340 -9.472 -14.430 1.00 0.00 C ATOM 733 OE1 GLN A 45 -5.735 -9.141 -13.415 1.00 0.00 O ATOM 734 NE2 GLN A 45 -5.775 -10.197 -15.384 1.00 0.00 N ATOM 0 H GLN A 45 -8.484 -5.927 -17.339 1.00 0.00 H new ATOM 0 HA GLN A 45 -6.543 -8.128 -16.945 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.306 -6.992 -14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.961 -7.384 -15.242 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.293 -9.028 -13.677 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.290 -9.832 -15.235 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.310 -10.453 -16.214 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.805 -10.499 -15.288 1.00 0.00 H new ATOM 743 N PRO A 46 -7.987 -9.589 -18.352 1.00 0.00 N ATOM 744 CA PRO A 46 -8.791 -10.590 -19.063 1.00 0.00 C ATOM 745 C PRO A 46 -9.291 -11.695 -18.127 1.00 0.00 C ATOM 746 O PRO A 46 -9.204 -12.884 -18.439 1.00 0.00 O ATOM 747 CB PRO A 46 -7.813 -11.173 -20.102 1.00 0.00 C ATOM 748 CG PRO A 46 -6.555 -10.368 -19.991 1.00 0.00 C ATOM 749 CD PRO A 46 -6.558 -9.766 -18.618 1.00 0.00 C ATOM 0 HA PRO A 46 -9.687 -10.153 -19.504 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.619 -12.227 -19.905 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.229 -11.108 -21.107 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.677 -10.997 -20.137 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.522 -9.592 -20.755 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.087 -10.423 -17.886 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.020 -8.819 -18.589 1.00 0.00 H new ATOM 757 N GLN A 47 -9.836 -11.294 -16.988 1.00 0.00 N ATOM 758 CA GLN A 47 -10.286 -12.239 -15.977 1.00 0.00 C ATOM 759 C GLN A 47 -11.654 -11.808 -15.459 1.00 0.00 C ATOM 760 O GLN A 47 -11.836 -10.660 -15.061 1.00 0.00 O ATOM 761 CB GLN A 47 -9.259 -12.293 -14.836 1.00 0.00 C ATOM 762 CG GLN A 47 -9.109 -13.656 -14.163 1.00 0.00 C ATOM 763 CD GLN A 47 -10.252 -14.007 -13.229 1.00 0.00 C ATOM 764 OE1 GLN A 47 -10.233 -13.655 -12.050 1.00 0.00 O ATOM 765 NE2 GLN A 47 -11.237 -14.732 -13.732 1.00 0.00 N ATOM 0 H GLN A 47 -9.978 -10.315 -16.740 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.376 -13.236 -16.408 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.288 -11.990 -15.227 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.541 -11.561 -14.079 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -9.032 -14.424 -14.932 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.175 -13.673 -13.601 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.219 -15.005 -14.715 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.015 -15.018 -13.137 1.00 0.00 H new ATOM 774 N ASP A 48 -12.609 -12.733 -15.463 1.00 0.00 N ATOM 775 CA ASP A 48 -13.989 -12.437 -15.056 1.00 0.00 C ATOM 776 C ASP A 48 -14.128 -12.358 -13.539 1.00 0.00 C ATOM 777 O ASP A 48 -15.238 -12.457 -13.007 1.00 0.00 O ATOM 778 CB ASP A 48 -14.945 -13.505 -15.585 1.00 0.00 C ATOM 779 CG ASP A 48 -15.079 -13.485 -17.091 1.00 0.00 C ATOM 780 OD1 ASP A 48 -15.599 -12.487 -17.632 1.00 0.00 O ATOM 781 OD2 ASP A 48 -14.692 -14.479 -17.740 1.00 0.00 O ATOM 0 H ASP A 48 -12.456 -13.701 -15.745 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.244 -11.466 -15.481 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -14.593 -14.488 -15.270 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -15.928 -13.359 -15.136 1.00 0.00 H new ATOM 786 N TRP A 49 -12.999 -12.164 -12.863 1.00 0.00 N ATOM 787 CA TRP A 49 -12.930 -12.131 -11.406 1.00 0.00 C ATOM 788 C TRP A 49 -13.156 -13.514 -10.807 1.00 0.00 C ATOM 789 O TRP A 49 -13.910 -14.328 -11.338 1.00 0.00 O ATOM 790 CB TRP A 49 -13.900 -11.099 -10.818 1.00 0.00 C ATOM 791 CG TRP A 49 -13.459 -9.693 -11.082 1.00 0.00 C ATOM 792 CD1 TRP A 49 -14.166 -8.700 -11.699 1.00 0.00 C ATOM 793 CD2 TRP A 49 -12.182 -9.137 -10.757 1.00 0.00 C ATOM 794 NE1 TRP A 49 -13.406 -7.556 -11.763 1.00 0.00 N ATOM 795 CE2 TRP A 49 -12.185 -7.802 -11.191 1.00 0.00 C ATOM 796 CE3 TRP A 49 -11.039 -9.641 -10.130 1.00 0.00 C ATOM 797 CZ2 TRP A 49 -11.088 -6.964 -11.023 1.00 0.00 C ATOM 798 CZ3 TRP A 49 -9.949 -8.809 -9.967 1.00 0.00 C ATOM 799 CH2 TRP A 49 -9.982 -7.484 -10.410 1.00 0.00 C ATOM 0 H TRP A 49 -12.096 -12.024 -13.317 1.00 0.00 H new ATOM 0 HA TRP A 49 -11.922 -11.818 -11.135 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -14.892 -11.252 -11.243 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.986 -11.255 -9.743 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -15.172 -8.799 -12.080 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -13.703 -6.669 -12.170 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -11.009 -10.662 -9.780 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -11.109 -5.940 -11.364 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -9.057 -9.188 -9.490 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.115 -6.857 -10.265 1.00 0.00 H new ATOM 810 N ASN A 50 -12.467 -13.778 -9.704 1.00 0.00 N ATOM 811 CA ASN A 50 -12.501 -15.089 -9.062 1.00 0.00 C ATOM 812 C ASN A 50 -13.876 -15.388 -8.475 1.00 0.00 C ATOM 813 O ASN A 50 -14.264 -16.549 -8.346 1.00 0.00 O ATOM 814 CB ASN A 50 -11.425 -15.188 -7.969 1.00 0.00 C ATOM 815 CG ASN A 50 -11.556 -14.113 -6.906 1.00 0.00 C ATOM 816 OD1 ASN A 50 -12.261 -14.286 -5.913 1.00 0.00 O ATOM 817 ND2 ASN A 50 -10.862 -13.001 -7.095 1.00 0.00 N ATOM 0 H ASN A 50 -11.873 -13.097 -9.231 1.00 0.00 H new ATOM 0 HA ASN A 50 -12.292 -15.834 -9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.485 -16.168 -7.496 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.440 -15.117 -8.430 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.901 -12.252 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.288 -12.894 -7.931 1.00 0.00 H new ATOM 824 N GLY A 51 -14.610 -14.346 -8.127 1.00 0.00 N ATOM 825 CA GLY A 51 -15.940 -14.539 -7.603 1.00 0.00 C ATOM 826 C GLY A 51 -16.910 -13.500 -8.113 1.00 0.00 C ATOM 827 O GLY A 51 -17.674 -13.748 -9.046 1.00 0.00 O ATOM 0 H GLY A 51 -14.309 -13.374 -8.198 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.296 -15.532 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.909 -14.501 -6.514 1.00 0.00 H new ATOM 831 N ASP A 52 -16.851 -12.324 -7.514 1.00 0.00 N ATOM 832 CA ASP A 52 -17.781 -11.250 -7.816 1.00 0.00 C ATOM 833 C ASP A 52 -17.125 -9.903 -7.532 1.00 0.00 C ATOM 834 O ASP A 52 -16.186 -9.819 -6.737 1.00 0.00 O ATOM 835 CB ASP A 52 -19.056 -11.419 -6.982 1.00 0.00 C ATOM 836 CG ASP A 52 -18.745 -11.664 -5.523 1.00 0.00 C ATOM 837 OD1 ASP A 52 -18.815 -12.834 -5.083 1.00 0.00 O ATOM 838 OD2 ASP A 52 -18.386 -10.707 -4.825 1.00 0.00 O ATOM 0 H ASP A 52 -16.157 -12.086 -6.805 1.00 0.00 H new ATOM 0 HA ASP A 52 -18.050 -11.288 -8.872 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -19.673 -10.526 -7.077 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -19.639 -12.252 -7.374 1.00 0.00 H new ATOM 843 N PRO A 53 -17.600 -8.835 -8.186 1.00 0.00 N ATOM 844 CA PRO A 53 -16.997 -7.504 -8.087 1.00 0.00 C ATOM 845 C PRO A 53 -17.496 -6.684 -6.892 1.00 0.00 C ATOM 846 O PRO A 53 -17.707 -5.478 -7.015 1.00 0.00 O ATOM 847 CB PRO A 53 -17.443 -6.857 -9.395 1.00 0.00 C ATOM 848 CG PRO A 53 -18.785 -7.448 -9.669 1.00 0.00 C ATOM 849 CD PRO A 53 -18.762 -8.842 -9.097 1.00 0.00 C ATOM 0 HA PRO A 53 -15.919 -7.557 -7.935 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -17.499 -5.772 -9.302 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -16.743 -7.072 -10.202 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -19.573 -6.852 -9.208 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -18.988 -7.471 -10.740 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.685 -9.070 -8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -18.651 -9.593 -9.879 1.00 0.00 H new ATOM 857 N GLN A 54 -17.654 -7.314 -5.732 1.00 0.00 N ATOM 858 CA GLN A 54 -18.045 -6.575 -4.525 1.00 0.00 C ATOM 859 C GLN A 54 -17.051 -6.900 -3.433 1.00 0.00 C ATOM 860 O GLN A 54 -17.133 -6.429 -2.300 1.00 0.00 O ATOM 861 CB GLN A 54 -19.491 -6.906 -4.099 1.00 0.00 C ATOM 862 CG GLN A 54 -19.736 -8.359 -3.703 1.00 0.00 C ATOM 863 CD GLN A 54 -19.381 -8.670 -2.254 1.00 0.00 C ATOM 864 OE1 GLN A 54 -19.559 -7.697 -1.370 1.00 0.00 O flip ATOM 865 NE2 GLN A 54 -18.967 -9.781 -1.927 1.00 0.00 N flip ATOM 0 H GLN A 54 -17.521 -8.316 -5.597 1.00 0.00 H new ATOM 0 HA GLN A 54 -18.030 -5.504 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -19.760 -6.267 -3.258 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -20.162 -6.652 -4.920 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -20.786 -8.599 -3.870 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -19.153 -9.007 -4.357 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -18.842 -10.507 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -18.749 -9.977 -0.950 1.00 0.00 H new ATOM 874 N ARG A 55 -16.072 -7.668 -3.841 1.00 0.00 N ATOM 875 CA ARG A 55 -15.119 -8.267 -2.952 1.00 0.00 C ATOM 876 C ARG A 55 -13.823 -7.466 -2.954 1.00 0.00 C ATOM 877 O ARG A 55 -13.373 -7.017 -4.008 1.00 0.00 O ATOM 878 CB ARG A 55 -14.902 -9.702 -3.422 1.00 0.00 C ATOM 879 CG ARG A 55 -13.716 -10.400 -2.809 1.00 0.00 C ATOM 880 CD ARG A 55 -13.656 -11.843 -3.270 1.00 0.00 C ATOM 881 NE ARG A 55 -14.517 -12.723 -2.475 1.00 0.00 N ATOM 882 CZ ARG A 55 -15.762 -13.055 -2.812 1.00 0.00 C ATOM 883 NH1 ARG A 55 -16.327 -12.508 -3.878 1.00 0.00 N ATOM 884 NH2 ARG A 55 -16.449 -13.908 -2.066 1.00 0.00 N ATOM 0 H ARG A 55 -15.915 -7.897 -4.823 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.482 -8.270 -1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.799 -10.280 -3.201 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -14.783 -9.700 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.798 -9.884 -3.089 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -13.785 -10.361 -1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.953 -11.899 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.627 -12.197 -3.211 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.139 -13.106 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.809 -11.833 -4.440 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -17.280 -12.762 -4.137 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.024 -14.312 -1.231 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.402 -14.160 -2.327 1.00 0.00 H new ATOM 898 N PRO A 56 -13.235 -7.249 -1.767 1.00 0.00 N ATOM 899 CA PRO A 56 -11.990 -6.489 -1.623 1.00 0.00 C ATOM 900 C PRO A 56 -10.860 -7.060 -2.472 1.00 0.00 C ATOM 901 O PRO A 56 -10.615 -8.269 -2.474 1.00 0.00 O ATOM 902 CB PRO A 56 -11.652 -6.602 -0.129 1.00 0.00 C ATOM 903 CG PRO A 56 -12.515 -7.699 0.397 1.00 0.00 C ATOM 904 CD PRO A 56 -13.742 -7.716 -0.467 1.00 0.00 C ATOM 0 HA PRO A 56 -12.109 -5.460 -1.961 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.596 -6.830 0.018 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -11.851 -5.664 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -11.996 -8.657 0.355 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.776 -7.523 1.441 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.173 -8.715 -0.537 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -14.520 -7.059 -0.077 1.00 0.00 H new ATOM 912 N PHE A 57 -10.187 -6.183 -3.196 1.00 0.00 N ATOM 913 CA PHE A 57 -9.086 -6.573 -4.058 1.00 0.00 C ATOM 914 C PHE A 57 -7.791 -5.935 -3.556 1.00 0.00 C ATOM 915 O PHE A 57 -7.820 -4.886 -2.914 1.00 0.00 O ATOM 916 CB PHE A 57 -9.380 -6.159 -5.511 1.00 0.00 C ATOM 917 CG PHE A 57 -10.576 -6.859 -6.113 1.00 0.00 C ATOM 918 CD1 PHE A 57 -11.618 -6.146 -6.708 1.00 0.00 C ATOM 919 CD2 PHE A 57 -10.661 -8.241 -6.075 1.00 0.00 C ATOM 920 CE1 PHE A 57 -12.706 -6.808 -7.245 1.00 0.00 C ATOM 921 CE2 PHE A 57 -11.749 -8.901 -6.613 1.00 0.00 C ATOM 922 CZ PHE A 57 -12.770 -8.184 -7.198 1.00 0.00 C ATOM 0 H PHE A 57 -10.388 -5.183 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 57 -8.970 -7.657 -4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.545 -5.082 -5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.502 -6.367 -6.123 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.574 -5.068 -6.749 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -9.865 -8.811 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -13.507 -6.246 -7.702 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.799 -9.979 -6.575 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.620 -8.700 -7.619 1.00 0.00 H new ATOM 932 N GLU A 58 -6.661 -6.574 -3.821 1.00 0.00 N ATOM 933 CA GLU A 58 -5.378 -6.069 -3.345 1.00 0.00 C ATOM 934 C GLU A 58 -4.474 -5.707 -4.515 1.00 0.00 C ATOM 935 O GLU A 58 -4.381 -6.456 -5.484 1.00 0.00 O ATOM 936 CB GLU A 58 -4.693 -7.122 -2.473 1.00 0.00 C ATOM 937 CG GLU A 58 -5.508 -7.551 -1.264 1.00 0.00 C ATOM 938 CD GLU A 58 -4.895 -8.734 -0.541 1.00 0.00 C ATOM 939 OE1 GLU A 58 -5.502 -9.827 -0.548 1.00 0.00 O ATOM 940 OE2 GLU A 58 -3.797 -8.583 0.035 1.00 0.00 O ATOM 0 H GLU A 58 -6.604 -7.438 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.561 -5.171 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.478 -7.999 -3.083 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.736 -6.729 -2.132 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.596 -6.713 -0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.518 -7.808 -1.583 1.00 0.00 H new ATOM 947 N ALA A 59 -3.812 -4.559 -4.425 1.00 0.00 N ATOM 948 CA ALA A 59 -2.890 -4.132 -5.467 1.00 0.00 C ATOM 949 C ALA A 59 -1.475 -4.017 -4.917 1.00 0.00 C ATOM 950 O ALA A 59 -1.239 -3.322 -3.923 1.00 0.00 O ATOM 951 CB ALA A 59 -3.327 -2.806 -6.064 1.00 0.00 C ATOM 0 H ALA A 59 -3.897 -3.910 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 59 -2.899 -4.886 -6.254 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.623 -2.507 -6.840 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.322 -2.912 -6.497 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.351 -2.046 -5.283 1.00 0.00 H new ATOM 957 N ARG A 60 -0.545 -4.706 -5.560 1.00 0.00 N ATOM 958 CA ARG A 60 0.853 -4.666 -5.163 1.00 0.00 C ATOM 959 C ARG A 60 1.719 -4.237 -6.348 1.00 0.00 C ATOM 960 O ARG A 60 1.829 -4.956 -7.342 1.00 0.00 O ATOM 961 CB ARG A 60 1.284 -6.039 -4.630 1.00 0.00 C ATOM 962 CG ARG A 60 2.673 -6.054 -4.013 1.00 0.00 C ATOM 963 CD ARG A 60 2.912 -7.317 -3.198 1.00 0.00 C ATOM 964 NE ARG A 60 2.839 -8.531 -4.011 1.00 0.00 N ATOM 965 CZ ARG A 60 2.774 -9.763 -3.503 1.00 0.00 C ATOM 966 NH1 ARG A 60 2.735 -9.948 -2.190 1.00 0.00 N ATOM 967 NH2 ARG A 60 2.750 -10.806 -4.315 1.00 0.00 N ATOM 0 H ARG A 60 -0.736 -5.303 -6.364 1.00 0.00 H new ATOM 0 HA ARG A 60 0.983 -3.935 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.562 -6.370 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.252 -6.761 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.422 -5.982 -4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.797 -5.180 -3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.892 -7.260 -2.724 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.174 -7.374 -2.398 1.00 0.00 H new ATOM 0 HE ARG A 60 2.838 -8.430 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 60 2.755 -9.145 -1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.685 -10.893 -1.809 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.781 -10.667 -5.325 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.700 -11.750 -3.931 1.00 0.00 H new ATOM 981 N LEU A 61 2.311 -3.053 -6.239 1.00 0.00 N ATOM 982 CA LEU A 61 3.091 -2.467 -7.324 1.00 0.00 C ATOM 983 C LEU A 61 4.590 -2.582 -7.067 1.00 0.00 C ATOM 984 O LEU A 61 5.086 -2.167 -6.015 1.00 0.00 O ATOM 985 CB LEU A 61 2.723 -0.992 -7.504 1.00 0.00 C ATOM 986 CG LEU A 61 1.371 -0.728 -8.163 1.00 0.00 C ATOM 987 CD1 LEU A 61 1.005 0.743 -8.052 1.00 0.00 C ATOM 988 CD2 LEU A 61 1.405 -1.152 -9.622 1.00 0.00 C ATOM 0 H LEU A 61 2.265 -2.474 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 61 2.854 -3.023 -8.231 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.731 -0.512 -6.526 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.499 -0.512 -8.101 1.00 0.00 H new ATOM 0 HG LEU A 61 0.612 -1.315 -7.645 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.039 0.914 -8.527 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.948 1.025 -7.001 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.765 1.346 -8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.435 -0.958 -10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.174 -0.586 -10.148 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.631 -2.216 -9.686 1.00 0.00 H new ATOM 1000 N TYR A 62 5.301 -3.141 -8.035 1.00 0.00 N ATOM 1001 CA TYR A 62 6.751 -3.254 -7.962 1.00 0.00 C ATOM 1002 C TYR A 62 7.422 -2.176 -8.799 1.00 0.00 C ATOM 1003 O TYR A 62 7.317 -2.180 -10.028 1.00 0.00 O ATOM 1004 CB TYR A 62 7.212 -4.626 -8.458 1.00 0.00 C ATOM 1005 CG TYR A 62 6.744 -5.778 -7.606 1.00 0.00 C ATOM 1006 CD1 TYR A 62 7.598 -6.380 -6.693 1.00 0.00 C ATOM 1007 CD2 TYR A 62 5.449 -6.265 -7.716 1.00 0.00 C ATOM 1008 CE1 TYR A 62 7.175 -7.438 -5.914 1.00 0.00 C ATOM 1009 CE2 TYR A 62 5.019 -7.318 -6.940 1.00 0.00 C ATOM 1010 CZ TYR A 62 5.885 -7.903 -6.040 1.00 0.00 C ATOM 1011 OH TYR A 62 5.462 -8.956 -5.265 1.00 0.00 O ATOM 0 H TYR A 62 4.894 -3.526 -8.887 1.00 0.00 H new ATOM 0 HA TYR A 62 7.037 -3.129 -6.918 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.852 -4.772 -9.477 1.00 0.00 H new ATOM 0 HB3 TYR A 62 8.301 -4.638 -8.500 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.609 -6.015 -6.590 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.768 -5.811 -8.421 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.852 -7.899 -5.210 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.008 -7.684 -7.036 1.00 0.00 H new ATOM 0 HH TYR A 62 4.635 -9.325 -5.639 1.00 0.00 H new ATOM 1021 N LEU A 63 8.085 -1.243 -8.136 1.00 0.00 N ATOM 1022 CA LEU A 63 8.884 -0.239 -8.827 1.00 0.00 C ATOM 1023 C LEU A 63 10.361 -0.576 -8.688 1.00 0.00 C ATOM 1024 O LEU A 63 11.181 -0.210 -9.529 1.00 0.00 O ATOM 1025 CB LEU A 63 8.615 1.167 -8.274 1.00 0.00 C ATOM 1026 CG LEU A 63 7.320 1.845 -8.746 1.00 0.00 C ATOM 1027 CD1 LEU A 63 7.287 1.933 -10.264 1.00 0.00 C ATOM 1028 CD2 LEU A 63 6.090 1.118 -8.220 1.00 0.00 C ATOM 0 H LEU A 63 8.087 -1.158 -7.120 1.00 0.00 H new ATOM 0 HA LEU A 63 8.603 -0.246 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 63 8.594 1.109 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.455 1.808 -8.543 1.00 0.00 H new ATOM 0 HG LEU A 63 7.304 2.857 -8.340 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.363 2.416 -10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.139 2.516 -10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.336 0.930 -10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.191 1.623 -8.572 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.093 0.089 -8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.104 1.120 -7.130 1.00 0.00 H new ATOM 1040 N GLY A 64 10.685 -1.288 -7.622 1.00 0.00 N ATOM 1041 CA GLY A 64 12.047 -1.694 -7.375 1.00 0.00 C ATOM 1042 C GLY A 64 12.131 -2.597 -6.170 1.00 0.00 C ATOM 1043 O GLY A 64 11.104 -3.053 -5.667 1.00 0.00 O ATOM 0 H GLY A 64 10.017 -1.595 -6.915 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.440 -2.211 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.670 -0.814 -7.218 1.00 0.00 H new ATOM 1047 N LEU A 65 13.341 -2.843 -5.697 1.00 0.00 N ATOM 1048 CA LEU A 65 13.544 -3.692 -4.532 1.00 0.00 C ATOM 1049 C LEU A 65 13.217 -2.925 -3.256 1.00 0.00 C ATOM 1050 O LEU A 65 12.777 -3.502 -2.263 1.00 0.00 O ATOM 1051 CB LEU A 65 14.988 -4.201 -4.484 1.00 0.00 C ATOM 1052 CG LEU A 65 15.432 -5.028 -5.694 1.00 0.00 C ATOM 1053 CD1 LEU A 65 16.878 -5.468 -5.535 1.00 0.00 C ATOM 1054 CD2 LEU A 65 14.527 -6.235 -5.874 1.00 0.00 C ATOM 0 H LEU A 65 14.199 -2.467 -6.101 1.00 0.00 H new ATOM 0 HA LEU A 65 12.875 -4.549 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 65 15.655 -3.344 -4.386 1.00 0.00 H new ATOM 0 HB3 LEU A 65 15.113 -4.806 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 65 15.356 -4.404 -6.585 1.00 0.00 H new ATOM 0 HD11 LEU A 65 17.177 -6.055 -6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 65 17.518 -4.590 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 65 16.977 -6.075 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 65 14.857 -6.811 -6.738 1.00 0.00 H new ATOM 0 HD22 LEU A 65 14.572 -6.860 -4.982 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.501 -5.901 -6.031 1.00 0.00 H new ATOM 1066 N ASP A 66 13.433 -1.617 -3.295 1.00 0.00 N ATOM 1067 CA ASP A 66 13.136 -0.760 -2.154 1.00 0.00 C ATOM 1068 C ASP A 66 11.740 -0.168 -2.290 1.00 0.00 C ATOM 1069 O ASP A 66 11.046 0.066 -1.297 1.00 0.00 O ATOM 1070 CB ASP A 66 14.168 0.370 -2.050 1.00 0.00 C ATOM 1071 CG ASP A 66 13.976 1.239 -0.819 1.00 0.00 C ATOM 1072 OD1 ASP A 66 13.264 2.261 -0.903 1.00 0.00 O ATOM 1073 OD2 ASP A 66 14.555 0.909 0.238 1.00 0.00 O ATOM 0 H ASP A 66 13.813 -1.126 -4.104 1.00 0.00 H new ATOM 0 HA ASP A 66 13.181 -1.365 -1.249 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.169 -0.061 -2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.106 0.994 -2.942 1.00 0.00 H new ATOM 1078 N VAL A 67 11.328 0.064 -3.530 1.00 0.00 N ATOM 1079 CA VAL A 67 10.057 0.719 -3.797 1.00 0.00 C ATOM 1080 C VAL A 67 8.949 -0.302 -4.032 1.00 0.00 C ATOM 1081 O VAL A 67 8.746 -0.777 -5.154 1.00 0.00 O ATOM 1082 CB VAL A 67 10.143 1.672 -5.009 1.00 0.00 C ATOM 1083 CG1 VAL A 67 8.898 2.544 -5.097 1.00 0.00 C ATOM 1084 CG2 VAL A 67 11.397 2.536 -4.934 1.00 0.00 C ATOM 0 H VAL A 67 11.856 -0.192 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 67 9.819 1.308 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 67 10.202 1.064 -5.912 1.00 0.00 H new ATOM 0 HG11 VAL A 67 8.979 3.208 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.018 1.911 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.805 3.138 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.435 3.199 -5.799 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.374 3.131 -4.021 1.00 0.00 H new ATOM 0 HG23 VAL A 67 12.280 1.896 -4.928 1.00 0.00 H new ATOM 1094 N LEU A 68 8.258 -0.652 -2.960 1.00 0.00 N ATOM 1095 CA LEU A 68 7.118 -1.548 -3.037 1.00 0.00 C ATOM 1096 C LEU A 68 5.861 -0.807 -2.605 1.00 0.00 C ATOM 1097 O LEU A 68 5.778 -0.314 -1.483 1.00 0.00 O ATOM 1098 CB LEU A 68 7.338 -2.777 -2.149 1.00 0.00 C ATOM 1099 CG LEU A 68 6.218 -3.819 -2.193 1.00 0.00 C ATOM 1100 CD1 LEU A 68 6.077 -4.399 -3.593 1.00 0.00 C ATOM 1101 CD2 LEU A 68 6.478 -4.925 -1.182 1.00 0.00 C ATOM 0 H LEU A 68 8.470 -0.325 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 68 7.003 -1.887 -4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.271 -3.257 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.463 -2.444 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 68 5.282 -3.325 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.275 -5.138 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.842 -3.600 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.013 -4.876 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.671 -5.657 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.425 -5.414 -1.413 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.525 -4.498 -0.180 1.00 0.00 H new ATOM 1113 N ILE A 69 4.896 -0.716 -3.505 1.00 0.00 N ATOM 1114 CA ILE A 69 3.671 0.020 -3.234 1.00 0.00 C ATOM 1115 C ILE A 69 2.513 -0.934 -2.964 1.00 0.00 C ATOM 1116 O ILE A 69 2.313 -1.907 -3.689 1.00 0.00 O ATOM 1117 CB ILE A 69 3.320 0.964 -4.409 1.00 0.00 C ATOM 1118 CG1 ILE A 69 4.408 2.035 -4.552 1.00 0.00 C ATOM 1119 CG2 ILE A 69 1.949 1.603 -4.214 1.00 0.00 C ATOM 1120 CD1 ILE A 69 4.170 3.007 -5.684 1.00 0.00 C ATOM 0 H ILE A 69 4.937 -1.143 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 69 3.838 0.625 -2.343 1.00 0.00 H new ATOM 0 HB ILE A 69 3.277 0.377 -5.327 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.480 2.592 -3.618 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.369 1.544 -4.705 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.731 2.261 -5.056 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.189 0.824 -4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.946 2.182 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.983 3.732 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.129 2.463 -6.628 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.226 3.528 -5.524 1.00 0.00 H new ATOM 1132 N ARG A 70 1.768 -0.655 -1.905 1.00 0.00 N ATOM 1133 CA ARG A 70 0.618 -1.465 -1.532 1.00 0.00 C ATOM 1134 C ARG A 70 -0.604 -0.577 -1.319 1.00 0.00 C ATOM 1135 O ARG A 70 -0.486 0.536 -0.796 1.00 0.00 O ATOM 1136 CB ARG A 70 0.925 -2.248 -0.254 1.00 0.00 C ATOM 1137 CG ARG A 70 1.302 -1.355 0.916 1.00 0.00 C ATOM 1138 CD ARG A 70 1.547 -2.150 2.183 1.00 0.00 C ATOM 1139 NE ARG A 70 1.839 -1.272 3.316 1.00 0.00 N ATOM 1140 CZ ARG A 70 1.555 -1.564 4.585 1.00 0.00 C ATOM 1141 NH1 ARG A 70 0.979 -2.722 4.900 1.00 0.00 N ATOM 1142 NH2 ARG A 70 1.830 -0.682 5.536 1.00 0.00 N ATOM 0 H ARG A 70 1.942 0.135 -1.283 1.00 0.00 H new ATOM 0 HA ARG A 70 0.405 -2.168 -2.338 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.054 -2.844 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.740 -2.945 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.199 -0.788 0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.506 -0.631 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.671 -2.758 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.380 -2.836 2.028 1.00 0.00 H new ATOM 0 HE ARG A 70 2.290 -0.378 3.122 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.751 -3.394 4.167 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.765 -2.937 5.874 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.256 0.213 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.616 -0.898 6.510 1.00 0.00 H new ATOM 1156 N MET A 71 -1.770 -1.057 -1.731 1.00 0.00 N ATOM 1157 CA MET A 71 -3.002 -0.293 -1.565 1.00 0.00 C ATOM 1158 C MET A 71 -4.224 -1.208 -1.513 1.00 0.00 C ATOM 1159 O MET A 71 -4.355 -2.137 -2.320 1.00 0.00 O ATOM 1160 CB MET A 71 -3.145 0.734 -2.699 1.00 0.00 C ATOM 1161 CG MET A 71 -3.110 0.127 -4.092 1.00 0.00 C ATOM 1162 SD MET A 71 -3.010 1.366 -5.402 1.00 0.00 S ATOM 1163 CE MET A 71 -4.525 2.283 -5.142 1.00 0.00 C ATOM 0 H MET A 71 -1.890 -1.965 -2.180 1.00 0.00 H new ATOM 0 HA MET A 71 -2.945 0.236 -0.613 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.085 1.272 -2.572 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.344 1.468 -2.614 1.00 0.00 H new ATOM 0 HG2 MET A 71 -2.254 -0.544 -4.168 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.004 -0.479 -4.240 1.00 0.00 H new ATOM 0 HE1 MET A 71 -5.078 2.346 -6.079 1.00 0.00 H new ATOM 0 HE2 MET A 71 -5.134 1.775 -4.395 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.287 3.288 -4.793 1.00 0.00 H new ATOM 1173 N GLU A 72 -5.107 -0.943 -0.554 1.00 0.00 N ATOM 1174 CA GLU A 72 -6.353 -1.683 -0.427 1.00 0.00 C ATOM 1175 C GLU A 72 -7.374 -1.069 -1.375 1.00 0.00 C ATOM 1176 O GLU A 72 -7.607 0.141 -1.337 1.00 0.00 O ATOM 1177 CB GLU A 72 -6.882 -1.610 1.012 1.00 0.00 C ATOM 1178 CG GLU A 72 -5.803 -1.668 2.090 1.00 0.00 C ATOM 1179 CD GLU A 72 -4.980 -2.942 2.056 1.00 0.00 C ATOM 1180 OE1 GLU A 72 -5.466 -3.982 2.552 1.00 0.00 O ATOM 1181 OE2 GLU A 72 -3.833 -2.899 1.559 1.00 0.00 O ATOM 0 H GLU A 72 -4.978 -0.216 0.150 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.180 -2.730 -0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.446 -0.685 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.580 -2.432 1.171 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.138 -0.812 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.273 -1.575 3.069 1.00 0.00 H new ATOM 1188 N ILE A 73 -7.978 -1.880 -2.229 1.00 0.00 N ATOM 1189 CA ILE A 73 -8.874 -1.354 -3.250 1.00 0.00 C ATOM 1190 C ILE A 73 -10.146 -2.183 -3.387 1.00 0.00 C ATOM 1191 O ILE A 73 -10.146 -3.389 -3.175 1.00 0.00 O ATOM 1192 CB ILE A 73 -8.176 -1.280 -4.626 1.00 0.00 C ATOM 1193 CG1 ILE A 73 -7.480 -2.606 -4.942 1.00 0.00 C ATOM 1194 CG2 ILE A 73 -7.186 -0.126 -4.667 1.00 0.00 C ATOM 1195 CD1 ILE A 73 -6.794 -2.640 -6.289 1.00 0.00 C ATOM 0 H ILE A 73 -7.867 -2.894 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.146 -0.351 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.934 -1.100 -5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.742 -2.810 -4.166 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.216 -3.409 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.706 -0.093 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.713 0.812 -4.489 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.429 -0.269 -3.896 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.326 -3.614 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.529 -2.469 -7.076 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.032 -1.862 -6.329 1.00 0.00 H new ATOM 1207 N SER A 74 -11.231 -1.518 -3.734 1.00 0.00 N ATOM 1208 CA SER A 74 -12.479 -2.192 -4.058 1.00 0.00 C ATOM 1209 C SER A 74 -12.891 -1.826 -5.476 1.00 0.00 C ATOM 1210 O SER A 74 -12.892 -0.646 -5.829 1.00 0.00 O ATOM 1211 CB SER A 74 -13.570 -1.778 -3.069 1.00 0.00 C ATOM 1212 OG SER A 74 -13.711 -0.364 -3.037 1.00 0.00 O ATOM 0 H SER A 74 -11.275 -0.501 -3.800 1.00 0.00 H new ATOM 0 HA SER A 74 -12.339 -3.271 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.517 -2.236 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.323 -2.146 -2.073 1.00 0.00 H new ATOM 0 HG SER A 74 -13.525 0.004 -3.926 1.00 0.00 H new ATOM 1218 N LEU A 75 -13.221 -2.815 -6.296 1.00 0.00 N ATOM 1219 CA LEU A 75 -13.588 -2.542 -7.677 1.00 0.00 C ATOM 1220 C LEU A 75 -14.868 -1.715 -7.738 1.00 0.00 C ATOM 1221 O LEU A 75 -15.930 -2.164 -7.312 1.00 0.00 O ATOM 1222 CB LEU A 75 -13.781 -3.830 -8.476 1.00 0.00 C ATOM 1223 CG LEU A 75 -13.962 -3.594 -9.973 1.00 0.00 C ATOM 1224 CD1 LEU A 75 -12.621 -3.401 -10.657 1.00 0.00 C ATOM 1225 CD2 LEU A 75 -14.745 -4.716 -10.626 1.00 0.00 C ATOM 0 H LEU A 75 -13.242 -3.800 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.767 -1.980 -8.122 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -12.919 -4.478 -8.320 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.652 -4.360 -8.091 1.00 0.00 H new ATOM 0 HG LEU A 75 -14.541 -2.678 -10.092 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.777 -3.235 -11.723 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.113 -2.538 -10.225 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -12.008 -4.291 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -14.853 -4.512 -11.691 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.214 -5.658 -10.489 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.732 -4.786 -10.168 1.00 0.00 H new ATOM 1237 N ALA A 76 -14.755 -0.501 -8.255 1.00 0.00 N ATOM 1238 CA ALA A 76 -15.906 0.379 -8.386 1.00 0.00 C ATOM 1239 C ALA A 76 -16.147 0.723 -9.849 1.00 0.00 C ATOM 1240 O ALA A 76 -17.148 1.346 -10.200 1.00 0.00 O ATOM 1241 CB ALA A 76 -15.699 1.643 -7.565 1.00 0.00 C ATOM 0 H ALA A 76 -13.878 -0.103 -8.591 1.00 0.00 H new ATOM 0 HA ALA A 76 -16.787 -0.139 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -16.568 2.293 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -15.571 1.378 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -14.810 2.165 -7.919 1.00 0.00 H new ATOM 1247 N TRP A 77 -15.231 0.293 -10.699 1.00 0.00 N ATOM 1248 CA TRP A 77 -15.292 0.600 -12.116 1.00 0.00 C ATOM 1249 C TRP A 77 -15.031 -0.650 -12.915 1.00 0.00 C ATOM 1250 O TRP A 77 -14.222 -1.497 -12.546 1.00 0.00 O ATOM 1251 CB TRP A 77 -14.246 1.641 -12.458 1.00 0.00 C ATOM 1252 CG TRP A 77 -14.593 2.632 -13.529 1.00 0.00 C ATOM 1253 CD1 TRP A 77 -15.373 3.743 -13.381 1.00 0.00 C ATOM 1254 CD2 TRP A 77 -14.116 2.653 -14.882 1.00 0.00 C ATOM 1255 NE1 TRP A 77 -15.416 4.449 -14.556 1.00 0.00 N ATOM 1256 CE2 TRP A 77 -14.654 3.803 -15.492 1.00 0.00 C ATOM 1257 CE3 TRP A 77 -13.291 1.814 -15.644 1.00 0.00 C ATOM 1258 CZ2 TRP A 77 -14.389 4.138 -16.814 1.00 0.00 C ATOM 1259 CZ3 TRP A 77 -13.032 2.150 -16.958 1.00 0.00 C ATOM 1260 CH2 TRP A 77 -13.577 3.304 -17.531 1.00 0.00 C ATOM 0 H TRP A 77 -14.429 -0.275 -10.428 1.00 0.00 H new ATOM 0 HA TRP A 77 -16.282 0.987 -12.357 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -14.009 2.194 -11.549 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -13.337 1.121 -12.760 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -15.882 4.025 -12.471 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -15.932 5.315 -14.708 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -12.866 0.921 -15.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -14.810 5.027 -17.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -12.398 1.511 -17.554 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -13.352 3.541 -18.560 1.00 0.00 H new ATOM 1271 N ALA A 78 -15.696 -0.716 -14.022 1.00 0.00 N ATOM 1272 CA ALA A 78 -15.631 -1.868 -14.907 1.00 0.00 C ATOM 1273 C ALA A 78 -16.147 -1.499 -16.289 1.00 0.00 C ATOM 1274 O ALA A 78 -17.352 -1.360 -16.499 1.00 0.00 O ATOM 1275 CB ALA A 78 -16.426 -3.039 -14.338 1.00 0.00 C ATOM 0 H ALA A 78 -16.310 0.028 -14.354 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.589 -2.176 -14.991 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.361 -3.888 -15.019 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.016 -3.320 -13.368 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -17.470 -2.747 -14.220 1.00 0.00 H new ATOM 1281 N ARG A 79 -15.223 -1.322 -17.218 1.00 0.00 N ATOM 1282 CA ARG A 79 -15.574 -0.969 -18.581 1.00 0.00 C ATOM 1283 C ARG A 79 -14.913 -1.917 -19.574 1.00 0.00 C ATOM 1284 O ARG A 79 -13.772 -1.708 -19.986 1.00 0.00 O ATOM 1285 CB ARG A 79 -15.183 0.478 -18.882 1.00 0.00 C ATOM 1286 CG ARG A 79 -16.352 1.455 -18.831 1.00 0.00 C ATOM 1287 CD ARG A 79 -17.461 1.052 -19.791 1.00 0.00 C ATOM 1288 NE ARG A 79 -16.980 0.896 -21.166 1.00 0.00 N ATOM 1289 CZ ARG A 79 -17.402 -0.055 -22.001 1.00 0.00 C ATOM 1290 NH1 ARG A 79 -18.381 -0.878 -21.644 1.00 0.00 N ATOM 1291 NH2 ARG A 79 -16.860 -0.161 -23.208 1.00 0.00 N ATOM 0 H ARG A 79 -14.221 -1.418 -17.051 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.655 -1.063 -18.686 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -14.425 0.796 -18.167 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.727 0.523 -19.871 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.747 1.498 -17.816 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -16.001 2.457 -19.080 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.905 0.115 -19.456 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.249 1.805 -19.768 1.00 0.00 H new ATOM 0 HE ARG A 79 -16.279 1.555 -21.506 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.816 -0.785 -20.726 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -18.698 -1.603 -22.288 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.123 0.484 -23.495 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -17.180 -0.887 -23.849 1.00 0.00 H new ATOM 1305 N ASP A 80 -15.647 -2.972 -19.917 1.00 0.00 N ATOM 1306 CA ASP A 80 -15.223 -3.968 -20.904 1.00 0.00 C ATOM 1307 C ASP A 80 -14.006 -4.759 -20.426 1.00 0.00 C ATOM 1308 O ASP A 80 -14.149 -5.840 -19.860 1.00 0.00 O ATOM 1309 CB ASP A 80 -14.944 -3.307 -22.258 1.00 0.00 C ATOM 1310 CG ASP A 80 -14.822 -4.314 -23.384 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -15.866 -4.864 -23.808 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.693 -4.543 -23.866 1.00 0.00 O ATOM 0 H ASP A 80 -16.564 -3.164 -19.514 1.00 0.00 H new ATOM 0 HA ASP A 80 -16.044 -4.675 -21.027 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -15.746 -2.606 -22.488 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -14.023 -2.728 -22.192 1.00 0.00 H new ATOM 1317 N GLY A 81 -12.816 -4.216 -20.647 1.00 0.00 N ATOM 1318 CA GLY A 81 -11.604 -4.872 -20.196 1.00 0.00 C ATOM 1319 C GLY A 81 -10.796 -3.982 -19.280 1.00 0.00 C ATOM 1320 O GLY A 81 -9.785 -4.403 -18.718 1.00 0.00 O ATOM 0 H GLY A 81 -12.668 -3.331 -21.132 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.861 -5.794 -19.674 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.999 -5.152 -21.058 1.00 0.00 H new ATOM 1324 N LEU A 82 -11.248 -2.746 -19.133 1.00 0.00 N ATOM 1325 CA LEU A 82 -10.594 -1.791 -18.257 1.00 0.00 C ATOM 1326 C LEU A 82 -11.285 -1.780 -16.905 1.00 0.00 C ATOM 1327 O LEU A 82 -12.463 -1.438 -16.797 1.00 0.00 O ATOM 1328 CB LEU A 82 -10.595 -0.386 -18.874 1.00 0.00 C ATOM 1329 CG LEU A 82 -9.486 -0.104 -19.895 1.00 0.00 C ATOM 1330 CD1 LEU A 82 -8.117 -0.284 -19.263 1.00 0.00 C ATOM 1331 CD2 LEU A 82 -9.624 -0.994 -21.122 1.00 0.00 C ATOM 0 H LEU A 82 -12.071 -2.381 -19.613 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.555 -2.095 -18.125 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -11.558 -0.223 -19.358 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.515 0.344 -18.068 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.588 0.932 -20.217 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.344 -0.079 -20.004 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.009 0.406 -18.426 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.014 -1.308 -18.905 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.823 -0.769 -21.826 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.561 -2.040 -20.822 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.587 -0.811 -21.598 1.00 0.00 H new ATOM 1343 N LEU A 83 -10.555 -2.179 -15.885 1.00 0.00 N ATOM 1344 CA LEU A 83 -11.109 -2.294 -14.550 1.00 0.00 C ATOM 1345 C LEU A 83 -10.553 -1.208 -13.648 1.00 0.00 C ATOM 1346 O LEU A 83 -9.337 -1.018 -13.563 1.00 0.00 O ATOM 1347 CB LEU A 83 -10.794 -3.675 -13.981 1.00 0.00 C ATOM 1348 CG LEU A 83 -11.357 -4.839 -14.794 1.00 0.00 C ATOM 1349 CD1 LEU A 83 -10.730 -6.146 -14.348 1.00 0.00 C ATOM 1350 CD2 LEU A 83 -12.871 -4.900 -14.658 1.00 0.00 C ATOM 0 H LEU A 83 -9.569 -2.431 -15.955 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.191 -2.170 -14.603 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.712 -3.787 -13.911 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -11.187 -3.734 -12.966 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.113 -4.679 -15.844 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.141 -6.966 -14.936 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.651 -6.100 -14.494 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.947 -6.312 -13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -13.256 -5.735 -15.244 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -13.137 -5.039 -13.610 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.307 -3.970 -15.023 1.00 0.00 H new ATOM 1362 N GLY A 84 -11.447 -0.499 -12.985 1.00 0.00 N ATOM 1363 CA GLY A 84 -11.042 0.593 -12.132 1.00 0.00 C ATOM 1364 C GLY A 84 -11.347 0.315 -10.679 1.00 0.00 C ATOM 1365 O GLY A 84 -12.481 -0.008 -10.317 1.00 0.00 O ATOM 0 H GLY A 84 -12.453 -0.661 -13.023 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.973 0.770 -12.251 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.552 1.505 -12.442 1.00 0.00 H new ATOM 1369 N PHE A 85 -10.340 0.421 -9.842 1.00 0.00 N ATOM 1370 CA PHE A 85 -10.518 0.181 -8.425 1.00 0.00 C ATOM 1371 C PHE A 85 -10.539 1.494 -7.664 1.00 0.00 C ATOM 1372 O PHE A 85 -9.846 2.438 -8.031 1.00 0.00 O ATOM 1373 CB PHE A 85 -9.394 -0.698 -7.880 1.00 0.00 C ATOM 1374 CG PHE A 85 -9.212 -1.991 -8.617 1.00 0.00 C ATOM 1375 CD1 PHE A 85 -9.837 -3.146 -8.180 1.00 0.00 C ATOM 1376 CD2 PHE A 85 -8.404 -2.054 -9.741 1.00 0.00 C ATOM 1377 CE1 PHE A 85 -9.658 -4.339 -8.851 1.00 0.00 C ATOM 1378 CE2 PHE A 85 -8.225 -3.242 -10.414 1.00 0.00 C ATOM 1379 CZ PHE A 85 -8.854 -4.386 -9.970 1.00 0.00 C ATOM 0 H PHE A 85 -9.390 0.671 -10.116 1.00 0.00 H new ATOM 0 HA PHE A 85 -11.470 -0.332 -8.289 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -8.460 -0.138 -7.916 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.595 -0.916 -6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -10.471 -3.114 -7.306 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -7.909 -1.161 -10.093 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.148 -5.235 -8.500 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.593 -3.278 -11.289 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.717 -5.318 -10.498 1.00 0.00 H new ATOM 1389 N GLU A 86 -11.343 1.543 -6.616 1.00 0.00 N ATOM 1390 CA GLU A 86 -11.358 2.674 -5.709 1.00 0.00 C ATOM 1391 C GLU A 86 -10.435 2.376 -4.539 1.00 0.00 C ATOM 1392 O GLU A 86 -10.554 1.326 -3.900 1.00 0.00 O ATOM 1393 CB GLU A 86 -12.778 2.946 -5.210 1.00 0.00 C ATOM 1394 CG GLU A 86 -12.868 4.086 -4.208 1.00 0.00 C ATOM 1395 CD GLU A 86 -14.287 4.349 -3.753 1.00 0.00 C ATOM 1396 OE1 GLU A 86 -14.823 5.434 -4.061 1.00 0.00 O ATOM 1397 OE2 GLU A 86 -14.881 3.469 -3.094 1.00 0.00 O ATOM 0 H GLU A 86 -12.001 0.803 -6.372 1.00 0.00 H new ATOM 0 HA GLU A 86 -11.011 3.564 -6.234 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.416 3.174 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.172 2.039 -4.751 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -12.250 3.853 -3.341 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -12.460 4.992 -4.656 1.00 0.00 H new ATOM 1404 N CYS A 87 -9.502 3.272 -4.282 1.00 0.00 N ATOM 1405 CA CYS A 87 -8.545 3.075 -3.208 1.00 0.00 C ATOM 1406 C CYS A 87 -9.196 3.319 -1.855 1.00 0.00 C ATOM 1407 O CYS A 87 -9.607 4.436 -1.539 1.00 0.00 O ATOM 1408 CB CYS A 87 -7.335 3.991 -3.395 1.00 0.00 C ATOM 1409 SG CYS A 87 -7.746 5.749 -3.497 1.00 0.00 S ATOM 0 H CYS A 87 -9.385 4.143 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 87 -8.203 2.040 -3.240 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -6.646 3.838 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -6.809 3.699 -4.304 1.00 0.00 H new ATOM 0 HG CYS A 87 -8.782 5.996 -2.752 1.00 0.00 H new ATOM 1415 N GLN A 88 -9.300 2.263 -1.066 1.00 0.00 N ATOM 1416 CA GLN A 88 -9.852 2.366 0.272 1.00 0.00 C ATOM 1417 C GLN A 88 -8.783 2.877 1.223 1.00 0.00 C ATOM 1418 O GLN A 88 -9.061 3.672 2.119 1.00 0.00 O ATOM 1419 CB GLN A 88 -10.386 1.011 0.734 1.00 0.00 C ATOM 1420 CG GLN A 88 -11.537 0.504 -0.117 1.00 0.00 C ATOM 1421 CD GLN A 88 -12.025 -0.864 0.306 1.00 0.00 C ATOM 1422 OE1 GLN A 88 -11.261 -1.686 0.805 1.00 0.00 O ATOM 1423 NE2 GLN A 88 -13.308 -1.116 0.104 1.00 0.00 N ATOM 0 H GLN A 88 -9.008 1.322 -1.331 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.684 3.070 0.265 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -9.577 0.281 0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.715 1.091 1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -12.363 1.212 -0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.222 0.465 -1.160 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -13.908 -0.405 -0.314 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.697 -2.022 0.366 1.00 0.00 H new ATOM 1432 N HIS A 89 -7.553 2.430 1.004 1.00 0.00 N ATOM 1433 CA HIS A 89 -6.421 2.901 1.785 1.00 0.00 C ATOM 1434 C HIS A 89 -5.119 2.624 1.061 1.00 0.00 C ATOM 1435 O HIS A 89 -4.789 1.478 0.791 1.00 0.00 O ATOM 1436 CB HIS A 89 -6.381 2.228 3.157 1.00 0.00 C ATOM 1437 CG HIS A 89 -5.305 2.770 4.053 1.00 0.00 C ATOM 1438 ND1 HIS A 89 -5.351 4.030 4.609 1.00 0.00 N ATOM 1439 CD2 HIS A 89 -4.137 2.222 4.469 1.00 0.00 C ATOM 1440 CE1 HIS A 89 -4.263 4.234 5.325 1.00 0.00 C ATOM 1441 NE2 HIS A 89 -3.508 3.153 5.261 1.00 0.00 N ATOM 0 H HIS A 89 -7.316 1.741 0.290 1.00 0.00 H new ATOM 0 HA HIS A 89 -6.542 3.976 1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -7.348 2.354 3.644 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -6.228 1.157 3.024 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -3.769 1.237 4.224 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -4.029 5.135 5.872 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -2.607 3.029 5.723 1.00 0.00 H new ATOM 1450 N ILE A 90 -4.382 3.668 0.753 1.00 0.00 N ATOM 1451 CA ILE A 90 -3.050 3.505 0.208 1.00 0.00 C ATOM 1452 C ILE A 90 -2.047 3.776 1.316 1.00 0.00 C ATOM 1453 O ILE A 90 -2.198 4.748 2.060 1.00 0.00 O ATOM 1454 CB ILE A 90 -2.776 4.461 -0.974 1.00 0.00 C ATOM 1455 CG1 ILE A 90 -3.922 4.406 -1.989 1.00 0.00 C ATOM 1456 CG2 ILE A 90 -1.457 4.097 -1.649 1.00 0.00 C ATOM 1457 CD1 ILE A 90 -3.784 5.410 -3.118 1.00 0.00 C ATOM 0 H ILE A 90 -4.680 4.637 0.870 1.00 0.00 H new ATOM 0 HA ILE A 90 -2.958 2.488 -0.173 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.707 5.478 -0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.974 3.402 -2.411 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.864 4.583 -1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.274 4.777 -2.481 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.644 4.179 -0.927 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.509 3.074 -2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.631 5.313 -3.797 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.763 6.419 -2.707 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.859 5.220 -3.662 1.00 0.00 H new ATOM 1469 N ASP A 91 -1.062 2.903 1.458 1.00 0.00 N ATOM 1470 CA ASP A 91 -0.025 3.090 2.464 1.00 0.00 C ATOM 1471 C ASP A 91 0.666 4.433 2.263 1.00 0.00 C ATOM 1472 O ASP A 91 1.097 4.758 1.157 1.00 0.00 O ATOM 1473 CB ASP A 91 0.989 1.950 2.399 1.00 0.00 C ATOM 1474 CG ASP A 91 2.186 2.184 3.294 1.00 0.00 C ATOM 1475 OD1 ASP A 91 3.207 2.684 2.786 1.00 0.00 O ATOM 1476 OD2 ASP A 91 2.106 1.864 4.500 1.00 0.00 O ATOM 0 H ASP A 91 -0.958 2.061 0.892 1.00 0.00 H new ATOM 0 HA ASP A 91 -0.488 3.083 3.451 1.00 0.00 H new ATOM 0 HB2 ASP A 91 0.502 1.018 2.687 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.328 1.828 1.370 1.00 0.00 H new ATOM 1481 N LEU A 92 0.755 5.210 3.336 1.00 0.00 N ATOM 1482 CA LEU A 92 1.264 6.578 3.268 1.00 0.00 C ATOM 1483 C LEU A 92 2.702 6.629 2.769 1.00 0.00 C ATOM 1484 O LEU A 92 3.077 7.547 2.036 1.00 0.00 O ATOM 1485 CB LEU A 92 1.154 7.262 4.635 1.00 0.00 C ATOM 1486 CG LEU A 92 -0.230 7.832 4.984 1.00 0.00 C ATOM 1487 CD1 LEU A 92 -0.645 8.886 3.968 1.00 0.00 C ATOM 1488 CD2 LEU A 92 -1.279 6.730 5.063 1.00 0.00 C ATOM 0 H LEU A 92 0.479 4.914 4.272 1.00 0.00 H new ATOM 0 HA LEU A 92 0.647 7.116 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.435 6.543 5.404 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.881 8.073 4.675 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.159 8.300 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.627 9.278 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.082 9.698 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.687 8.438 2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.247 7.166 5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.346 6.222 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.996 6.013 5.833 1.00 0.00 H new ATOM 1500 N ASP A 93 3.501 5.641 3.148 1.00 0.00 N ATOM 1501 CA ASP A 93 4.885 5.577 2.699 1.00 0.00 C ATOM 1502 C ASP A 93 4.915 5.270 1.210 1.00 0.00 C ATOM 1503 O ASP A 93 5.681 5.864 0.448 1.00 0.00 O ATOM 1504 CB ASP A 93 5.664 4.516 3.480 1.00 0.00 C ATOM 1505 CG ASP A 93 7.132 4.494 3.119 1.00 0.00 C ATOM 1506 OD1 ASP A 93 7.831 5.484 3.414 1.00 0.00 O ATOM 1507 OD2 ASP A 93 7.602 3.490 2.549 1.00 0.00 O ATOM 0 H ASP A 93 3.217 4.877 3.761 1.00 0.00 H new ATOM 0 HA ASP A 93 5.362 6.540 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.559 4.705 4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.230 3.535 3.286 1.00 0.00 H new ATOM 1512 N SER A 94 4.044 4.359 0.800 1.00 0.00 N ATOM 1513 CA SER A 94 3.887 4.014 -0.602 1.00 0.00 C ATOM 1514 C SER A 94 3.452 5.234 -1.416 1.00 0.00 C ATOM 1515 O SER A 94 3.956 5.464 -2.517 1.00 0.00 O ATOM 1516 CB SER A 94 2.870 2.885 -0.745 1.00 0.00 C ATOM 1517 OG SER A 94 3.230 1.774 0.058 1.00 0.00 O ATOM 0 H SER A 94 3.430 3.841 1.428 1.00 0.00 H new ATOM 0 HA SER A 94 4.848 3.677 -0.989 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.881 3.242 -0.456 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.806 2.578 -1.789 1.00 0.00 H new ATOM 0 HG SER A 94 3.315 2.059 0.992 1.00 0.00 H new ATOM 1523 N ILE A 95 2.529 6.022 -0.860 1.00 0.00 N ATOM 1524 CA ILE A 95 2.075 7.254 -1.502 1.00 0.00 C ATOM 1525 C ILE A 95 3.247 8.205 -1.728 1.00 0.00 C ATOM 1526 O ILE A 95 3.384 8.799 -2.802 1.00 0.00 O ATOM 1527 CB ILE A 95 1.002 7.978 -0.656 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -0.223 7.086 -0.460 1.00 0.00 C ATOM 1529 CG2 ILE A 95 0.599 9.296 -1.309 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -1.300 7.707 0.404 1.00 0.00 C ATOM 0 H ILE A 95 2.081 5.827 0.036 1.00 0.00 H new ATOM 0 HA ILE A 95 1.636 6.971 -2.459 1.00 0.00 H new ATOM 0 HB ILE A 95 1.432 8.195 0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.646 6.847 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.093 6.145 -0.010 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.157 9.789 -0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.473 9.941 -1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 95 0.192 9.101 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.136 7.014 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -0.895 7.921 1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.645 8.634 -0.055 1.00 0.00 H new ATOM 1542 N SER A 96 4.093 8.333 -0.710 1.00 0.00 N ATOM 1543 CA SER A 96 5.262 9.196 -0.785 1.00 0.00 C ATOM 1544 C SER A 96 6.167 8.767 -1.937 1.00 0.00 C ATOM 1545 O SER A 96 6.577 9.593 -2.750 1.00 0.00 O ATOM 1546 CB SER A 96 6.028 9.166 0.545 1.00 0.00 C ATOM 1547 OG SER A 96 7.115 10.079 0.541 1.00 0.00 O ATOM 0 H SER A 96 3.988 7.846 0.180 1.00 0.00 H new ATOM 0 HA SER A 96 4.932 10.218 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.349 9.410 1.362 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.399 8.158 0.729 1.00 0.00 H new ATOM 0 HG SER A 96 7.581 10.037 1.402 1.00 0.00 H new ATOM 1553 N HIS A 97 6.447 7.467 -2.022 1.00 0.00 N ATOM 1554 CA HIS A 97 7.312 6.939 -3.080 1.00 0.00 C ATOM 1555 C HIS A 97 6.667 7.133 -4.444 1.00 0.00 C ATOM 1556 O HIS A 97 7.343 7.452 -5.420 1.00 0.00 O ATOM 1557 CB HIS A 97 7.606 5.448 -2.876 1.00 0.00 C ATOM 1558 CG HIS A 97 8.267 5.123 -1.574 1.00 0.00 C ATOM 1559 ND1 HIS A 97 9.404 5.751 -1.124 1.00 0.00 N ATOM 1560 CD2 HIS A 97 7.926 4.238 -0.614 1.00 0.00 C ATOM 1561 CE1 HIS A 97 9.730 5.269 0.059 1.00 0.00 C ATOM 1562 NE2 HIS A 97 8.846 4.348 0.394 1.00 0.00 N ATOM 0 H HIS A 97 6.091 6.763 -1.376 1.00 0.00 H new ATOM 0 HA HIS A 97 8.250 7.492 -3.033 1.00 0.00 H new ATOM 0 HB2 HIS A 97 6.670 4.893 -2.944 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.242 5.101 -3.690 1.00 0.00 H new ATOM 0 HD2 HIS A 97 7.081 3.565 -0.637 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.578 5.576 0.654 1.00 0.00 H new ATOM 0 HE2 HIS A 97 8.848 3.808 1.259 1.00 0.00 H new ATOM 1571 N LEU A 98 5.355 6.938 -4.496 1.00 0.00 N ATOM 1572 CA LEU A 98 4.603 7.075 -5.734 1.00 0.00 C ATOM 1573 C LEU A 98 4.753 8.479 -6.309 1.00 0.00 C ATOM 1574 O LEU A 98 5.237 8.647 -7.428 1.00 0.00 O ATOM 1575 CB LEU A 98 3.123 6.757 -5.498 1.00 0.00 C ATOM 1576 CG LEU A 98 2.228 6.837 -6.738 1.00 0.00 C ATOM 1577 CD1 LEU A 98 2.665 5.816 -7.778 1.00 0.00 C ATOM 1578 CD2 LEU A 98 0.771 6.623 -6.355 1.00 0.00 C ATOM 0 H LEU A 98 4.788 6.683 -3.688 1.00 0.00 H new ATOM 0 HA LEU A 98 5.006 6.364 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.047 5.753 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 98 2.736 7.445 -4.747 1.00 0.00 H new ATOM 0 HG LEU A 98 2.327 7.832 -7.173 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.018 5.887 -8.652 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.696 6.015 -8.072 1.00 0.00 H new ATOM 0 HD13 LEU A 98 2.595 4.814 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.148 6.683 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.656 5.641 -5.897 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.464 7.392 -5.646 1.00 0.00 H new ATOM 1590 N ARG A 99 4.365 9.487 -5.536 1.00 0.00 N ATOM 1591 CA ARG A 99 4.408 10.859 -6.022 1.00 0.00 C ATOM 1592 C ARG A 99 5.849 11.312 -6.236 1.00 0.00 C ATOM 1593 O ARG A 99 6.132 12.058 -7.166 1.00 0.00 O ATOM 1594 CB ARG A 99 3.691 11.816 -5.063 1.00 0.00 C ATOM 1595 CG ARG A 99 3.583 13.235 -5.610 1.00 0.00 C ATOM 1596 CD ARG A 99 2.865 14.174 -4.653 1.00 0.00 C ATOM 1597 NE ARG A 99 2.746 15.522 -5.213 1.00 0.00 N ATOM 1598 CZ ARG A 99 2.321 16.590 -4.532 1.00 0.00 C ATOM 1599 NH1 ARG A 99 1.946 16.478 -3.264 1.00 0.00 N ATOM 1600 NH2 ARG A 99 2.264 17.776 -5.126 1.00 0.00 N ATOM 0 H ARG A 99 4.021 9.382 -4.582 1.00 0.00 H new ATOM 0 HA ARG A 99 3.886 10.883 -6.978 1.00 0.00 H new ATOM 0 HB2 ARG A 99 2.691 11.434 -4.857 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.225 11.838 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 99 4.582 13.621 -5.811 1.00 0.00 H new ATOM 0 HG3 ARG A 99 3.052 13.215 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 99 1.872 13.781 -4.432 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.408 14.218 -3.709 1.00 0.00 H new ATOM 0 HE ARG A 99 3.006 15.655 -6.190 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.981 15.570 -2.800 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.623 17.300 -2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.545 17.872 -6.102 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.940 18.592 -4.606 1.00 0.00 H new ATOM 1614 N ARG A 100 6.757 10.839 -5.389 1.00 0.00 N ATOM 1615 CA ARG A 100 8.165 11.214 -5.492 1.00 0.00 C ATOM 1616 C ARG A 100 8.746 10.749 -6.825 1.00 0.00 C ATOM 1617 O ARG A 100 9.530 11.461 -7.454 1.00 0.00 O ATOM 1618 CB ARG A 100 8.961 10.620 -4.326 1.00 0.00 C ATOM 1619 CG ARG A 100 10.370 11.177 -4.186 1.00 0.00 C ATOM 1620 CD ARG A 100 10.362 12.694 -4.062 1.00 0.00 C ATOM 1621 NE ARG A 100 9.452 13.159 -3.012 1.00 0.00 N ATOM 1622 CZ ARG A 100 8.824 14.335 -3.040 1.00 0.00 C ATOM 1623 NH1 ARG A 100 9.086 15.209 -4.002 1.00 0.00 N ATOM 1624 NH2 ARG A 100 7.956 14.648 -2.088 1.00 0.00 N ATOM 0 H ARG A 100 6.545 10.197 -4.625 1.00 0.00 H new ATOM 0 HA ARG A 100 8.238 12.301 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 100 8.417 10.801 -3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 100 9.021 9.539 -4.454 1.00 0.00 H new ATOM 0 HG2 ARG A 100 10.848 10.742 -3.309 1.00 0.00 H new ATOM 0 HG3 ARG A 100 10.965 10.885 -5.051 1.00 0.00 H new ATOM 0 HD2 ARG A 100 11.371 13.045 -3.847 1.00 0.00 H new ATOM 0 HD3 ARG A 100 10.068 13.133 -5.015 1.00 0.00 H new ATOM 0 HE ARG A 100 9.289 12.547 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 100 9.770 14.983 -4.724 1.00 0.00 H new ATOM 0 HH12 ARG A 100 8.604 16.107 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 100 7.768 13.989 -1.333 1.00 0.00 H new ATOM 0 HH22 ARG A 100 7.476 15.548 -2.111 1.00 0.00 H new ATOM 1638 N LEU A 101 8.345 9.558 -7.257 1.00 0.00 N ATOM 1639 CA LEU A 101 8.789 9.018 -8.534 1.00 0.00 C ATOM 1640 C LEU A 101 8.193 9.828 -9.684 1.00 0.00 C ATOM 1641 O LEU A 101 8.837 10.029 -10.717 1.00 0.00 O ATOM 1642 CB LEU A 101 8.388 7.544 -8.656 1.00 0.00 C ATOM 1643 CG LEU A 101 8.923 6.821 -9.895 1.00 0.00 C ATOM 1644 CD1 LEU A 101 10.447 6.844 -9.915 1.00 0.00 C ATOM 1645 CD2 LEU A 101 8.406 5.392 -9.933 1.00 0.00 C ATOM 0 H LEU A 101 7.712 8.948 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 101 9.876 9.087 -8.585 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.736 7.015 -7.769 1.00 0.00 H new ATOM 0 HB3 LEU A 101 7.300 7.480 -8.659 1.00 0.00 H new ATOM 0 HG LEU A 101 8.566 7.342 -10.783 1.00 0.00 H new ATOM 0 HD11 LEU A 101 10.807 6.325 -10.803 1.00 0.00 H new ATOM 0 HD12 LEU A 101 10.795 7.877 -9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.830 6.347 -9.024 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.793 4.888 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 101 8.737 4.862 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.317 5.400 -9.968 1.00 0.00 H new ATOM 1657 N VAL A 102 6.966 10.298 -9.491 1.00 0.00 N ATOM 1658 CA VAL A 102 6.306 11.149 -10.474 1.00 0.00 C ATOM 1659 C VAL A 102 7.043 12.482 -10.595 1.00 0.00 C ATOM 1660 O VAL A 102 7.282 12.973 -11.700 1.00 0.00 O ATOM 1661 CB VAL A 102 4.828 11.399 -10.098 1.00 0.00 C ATOM 1662 CG1 VAL A 102 4.143 12.275 -11.131 1.00 0.00 C ATOM 1663 CG2 VAL A 102 4.083 10.082 -9.942 1.00 0.00 C ATOM 0 H VAL A 102 6.407 10.103 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 102 6.330 10.633 -11.434 1.00 0.00 H new ATOM 0 HB VAL A 102 4.810 11.923 -9.142 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.104 12.435 -10.841 1.00 0.00 H new ATOM 0 HG12 VAL A 102 4.655 13.235 -11.191 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.177 11.785 -12.104 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.044 10.281 -9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.119 9.530 -10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.551 9.490 -9.155 1.00 0.00 H new ATOM 1673 N GLU A 103 7.421 13.042 -9.446 1.00 0.00 N ATOM 1674 CA GLU A 103 8.204 14.275 -9.390 1.00 0.00 C ATOM 1675 C GLU A 103 9.502 14.122 -10.174 1.00 0.00 C ATOM 1676 O GLU A 103 9.867 14.985 -10.973 1.00 0.00 O ATOM 1677 CB GLU A 103 8.530 14.633 -7.935 1.00 0.00 C ATOM 1678 CG GLU A 103 7.309 14.911 -7.072 1.00 0.00 C ATOM 1679 CD GLU A 103 6.646 16.232 -7.398 1.00 0.00 C ATOM 1680 OE1 GLU A 103 6.828 17.194 -6.619 1.00 0.00 O ATOM 1681 OE2 GLU A 103 5.942 16.316 -8.421 1.00 0.00 O ATOM 0 H GLU A 103 7.193 12.654 -8.530 1.00 0.00 H new ATOM 0 HA GLU A 103 7.610 15.073 -9.835 1.00 0.00 H new ATOM 0 HB2 GLU A 103 9.097 13.815 -7.490 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.176 15.511 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.587 14.105 -7.203 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.604 14.907 -6.023 1.00 0.00 H new ATOM 1688 N LEU A 104 10.185 13.004 -9.945 1.00 0.00 N ATOM 1689 CA LEU A 104 11.456 12.718 -10.605 1.00 0.00 C ATOM 1690 C LEU A 104 11.303 12.687 -12.122 1.00 0.00 C ATOM 1691 O LEU A 104 12.204 13.092 -12.853 1.00 0.00 O ATOM 1692 CB LEU A 104 12.017 11.376 -10.122 1.00 0.00 C ATOM 1693 CG LEU A 104 12.421 11.326 -8.648 1.00 0.00 C ATOM 1694 CD1 LEU A 104 12.862 9.923 -8.260 1.00 0.00 C ATOM 1695 CD2 LEU A 104 13.531 12.327 -8.365 1.00 0.00 C ATOM 0 H LEU A 104 9.876 12.275 -9.302 1.00 0.00 H new ATOM 0 HA LEU A 104 12.148 13.519 -10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 104 11.270 10.603 -10.303 1.00 0.00 H new ATOM 0 HB3 LEU A 104 12.888 11.126 -10.728 1.00 0.00 H new ATOM 0 HG LEU A 104 11.552 11.593 -8.047 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.145 9.909 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 104 12.041 9.225 -8.424 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.716 9.628 -8.870 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.806 12.277 -7.311 1.00 0.00 H new ATOM 0 HD22 LEU A 104 14.400 12.089 -8.978 1.00 0.00 H new ATOM 0 HD23 LEU A 104 13.183 13.332 -8.602 1.00 0.00 H new ATOM 1707 N ASN A 105 10.154 12.219 -12.590 1.00 0.00 N ATOM 1708 CA ASN A 105 9.916 12.080 -14.022 1.00 0.00 C ATOM 1709 C ASN A 105 9.213 13.303 -14.596 1.00 0.00 C ATOM 1710 O ASN A 105 8.852 13.317 -15.774 1.00 0.00 O ATOM 1711 CB ASN A 105 9.091 10.824 -14.318 1.00 0.00 C ATOM 1712 CG ASN A 105 9.917 9.555 -14.251 1.00 0.00 C ATOM 1713 OD1 ASN A 105 10.495 9.127 -15.250 1.00 0.00 O ATOM 1714 ND2 ASN A 105 9.977 8.941 -13.080 1.00 0.00 N ATOM 0 H ASN A 105 9.373 11.929 -12.001 1.00 0.00 H new ATOM 0 HA ASN A 105 10.891 11.989 -14.501 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.270 10.757 -13.604 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.646 10.911 -15.309 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.517 8.081 -12.982 1.00 0.00 H new ATOM 0 HD22 ASN A 105 9.484 9.328 -12.275 1.00 0.00 H new ATOM 1721 N LEU A 106 9.024 14.325 -13.760 1.00 0.00 N ATOM 1722 CA LEU A 106 8.355 15.558 -14.174 1.00 0.00 C ATOM 1723 C LEU A 106 6.955 15.278 -14.692 1.00 0.00 C ATOM 1724 O LEU A 106 6.452 15.976 -15.577 1.00 0.00 O ATOM 1725 CB LEU A 106 9.177 16.303 -15.232 1.00 0.00 C ATOM 1726 CG LEU A 106 10.184 17.309 -14.674 1.00 0.00 C ATOM 1727 CD1 LEU A 106 9.474 18.303 -13.769 1.00 0.00 C ATOM 1728 CD2 LEU A 106 11.305 16.602 -13.926 1.00 0.00 C ATOM 0 H LEU A 106 9.327 14.322 -12.786 1.00 0.00 H new ATOM 0 HA LEU A 106 8.270 16.195 -13.294 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.713 15.571 -15.836 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.493 16.828 -15.899 1.00 0.00 H new ATOM 0 HG LEU A 106 10.633 17.850 -15.507 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.197 19.017 -13.375 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.713 18.835 -14.339 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.002 17.771 -12.943 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.007 17.341 -13.540 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.886 16.031 -13.097 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.826 15.927 -14.605 1.00 0.00 H new ATOM 1740 N GLY A 107 6.320 14.272 -14.118 1.00 0.00 N ATOM 1741 CA GLY A 107 4.973 13.949 -14.500 1.00 0.00 C ATOM 1742 C GLY A 107 3.986 14.921 -13.902 1.00 0.00 C ATOM 1743 O GLY A 107 3.767 14.911 -12.694 1.00 0.00 O ATOM 0 H GLY A 107 6.718 13.674 -13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 107 4.888 13.963 -15.587 1.00 0.00 H new ATOM 0 HA3 GLY A 107 4.733 12.937 -14.174 1.00 0.00 H new ATOM 1747 N ASP A 108 3.458 15.807 -14.742 1.00 0.00 N ATOM 1748 CA ASP A 108 2.367 16.707 -14.353 1.00 0.00 C ATOM 1749 C ASP A 108 1.392 16.022 -13.403 1.00 0.00 C ATOM 1750 O ASP A 108 0.733 15.040 -13.759 1.00 0.00 O ATOM 1751 CB ASP A 108 1.611 17.215 -15.587 1.00 0.00 C ATOM 1752 CG ASP A 108 2.331 18.348 -16.286 1.00 0.00 C ATOM 1753 OD1 ASP A 108 2.013 19.523 -15.998 1.00 0.00 O ATOM 1754 OD2 ASP A 108 3.218 18.073 -17.124 1.00 0.00 O ATOM 0 H ASP A 108 3.769 15.924 -15.706 1.00 0.00 H new ATOM 0 HA ASP A 108 2.817 17.554 -13.836 1.00 0.00 H new ATOM 0 HB2 ASP A 108 1.471 16.391 -16.287 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.618 17.551 -15.287 1.00 0.00 H new ATOM 1759 N GLU A 109 1.297 16.566 -12.197 1.00 0.00 N ATOM 1760 CA GLU A 109 0.536 15.946 -11.120 1.00 0.00 C ATOM 1761 C GLU A 109 -0.967 16.054 -11.348 1.00 0.00 C ATOM 1762 O GLU A 109 -1.761 15.591 -10.531 1.00 0.00 O ATOM 1763 CB GLU A 109 0.923 16.571 -9.779 1.00 0.00 C ATOM 1764 CG GLU A 109 0.834 18.089 -9.756 1.00 0.00 C ATOM 1765 CD GLU A 109 1.329 18.677 -8.452 1.00 0.00 C ATOM 1766 OE1 GLU A 109 0.494 18.991 -7.583 1.00 0.00 O ATOM 1767 OE2 GLU A 109 2.562 18.819 -8.288 1.00 0.00 O ATOM 0 H GLU A 109 1.743 17.446 -11.938 1.00 0.00 H new ATOM 0 HA GLU A 109 0.783 14.885 -11.106 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.275 16.167 -9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 109 1.942 16.273 -9.531 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.419 18.497 -10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.200 18.392 -9.918 1.00 0.00 H new ATOM 1774 N GLU A 110 -1.350 16.642 -12.476 1.00 0.00 N ATOM 1775 CA GLU A 110 -2.755 16.736 -12.856 1.00 0.00 C ATOM 1776 C GLU A 110 -3.361 15.338 -12.921 1.00 0.00 C ATOM 1777 O GLU A 110 -4.536 15.130 -12.614 1.00 0.00 O ATOM 1778 CB GLU A 110 -2.908 17.406 -14.224 1.00 0.00 C ATOM 1779 CG GLU A 110 -1.881 18.491 -14.516 1.00 0.00 C ATOM 1780 CD GLU A 110 -1.818 19.561 -13.449 1.00 0.00 C ATOM 1781 OE1 GLU A 110 -0.694 19.883 -13.004 1.00 0.00 O ATOM 1782 OE2 GLU A 110 -2.877 20.091 -13.062 1.00 0.00 O ATOM 0 H GLU A 110 -0.705 17.062 -13.145 1.00 0.00 H new ATOM 0 HA GLU A 110 -3.271 17.338 -12.108 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -2.840 16.642 -14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.905 17.840 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -0.898 18.032 -14.618 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.117 18.956 -15.473 1.00 0.00 H new ATOM 1789 N LEU A 111 -2.526 14.374 -13.303 1.00 0.00 N ATOM 1790 CA LEU A 111 -2.949 12.992 -13.460 1.00 0.00 C ATOM 1791 C LEU A 111 -3.343 12.382 -12.117 1.00 0.00 C ATOM 1792 O LEU A 111 -4.132 11.437 -12.062 1.00 0.00 O ATOM 1793 CB LEU A 111 -1.825 12.169 -14.101 1.00 0.00 C ATOM 1794 CG LEU A 111 -1.360 12.656 -15.477 1.00 0.00 C ATOM 1795 CD1 LEU A 111 -0.191 11.819 -15.969 1.00 0.00 C ATOM 1796 CD2 LEU A 111 -2.505 12.610 -16.478 1.00 0.00 C ATOM 0 H LEU A 111 -1.540 14.533 -13.511 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.824 12.976 -14.110 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -0.969 12.166 -13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -2.161 11.136 -14.194 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.030 13.690 -15.381 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.127 12.178 -16.948 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.637 11.902 -15.265 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -0.498 10.776 -16.047 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -2.154 12.960 -17.449 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.867 11.586 -16.570 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.316 13.251 -16.133 1.00 0.00 H new ATOM 1808 N LEU A 112 -2.822 12.944 -11.037 1.00 0.00 N ATOM 1809 CA LEU A 112 -3.046 12.397 -9.708 1.00 0.00 C ATOM 1810 C LEU A 112 -4.296 12.984 -9.058 1.00 0.00 C ATOM 1811 O LEU A 112 -4.870 12.383 -8.151 1.00 0.00 O ATOM 1812 CB LEU A 112 -1.831 12.653 -8.816 1.00 0.00 C ATOM 1813 CG LEU A 112 -0.531 11.988 -9.276 1.00 0.00 C ATOM 1814 CD1 LEU A 112 0.625 12.396 -8.374 1.00 0.00 C ATOM 1815 CD2 LEU A 112 -0.683 10.474 -9.290 1.00 0.00 C ATOM 0 H LEU A 112 -2.239 13.781 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 112 -3.196 11.323 -9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -1.667 13.729 -8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -2.061 12.306 -7.809 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.314 12.324 -10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 112 1.541 11.914 -8.716 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.750 13.478 -8.409 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.414 12.088 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.250 10.018 -9.619 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -0.924 10.123 -8.287 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -1.484 10.195 -9.974 1.00 0.00 H new ATOM 1827 N GLU A 113 -4.740 14.132 -9.546 1.00 0.00 N ATOM 1828 CA GLU A 113 -5.828 14.849 -8.897 1.00 0.00 C ATOM 1829 C GLU A 113 -7.110 14.773 -9.714 1.00 0.00 C ATOM 1830 O GLU A 113 -8.025 15.572 -9.528 1.00 0.00 O ATOM 1831 CB GLU A 113 -5.438 16.308 -8.664 1.00 0.00 C ATOM 1832 CG GLU A 113 -4.165 16.465 -7.849 1.00 0.00 C ATOM 1833 CD GLU A 113 -3.996 17.858 -7.284 1.00 0.00 C ATOM 1834 OE1 GLU A 113 -4.054 18.008 -6.046 1.00 0.00 O ATOM 1835 OE2 GLU A 113 -3.814 18.814 -8.067 1.00 0.00 O ATOM 0 H GLU A 113 -4.368 14.584 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.014 14.371 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.308 16.801 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.254 16.818 -8.153 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -4.172 15.745 -7.031 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -3.306 16.226 -8.476 1.00 0.00 H new ATOM 1842 N ARG A 114 -7.191 13.787 -10.599 1.00 0.00 N ATOM 1843 CA ARG A 114 -8.390 13.602 -11.406 1.00 0.00 C ATOM 1844 C ARG A 114 -9.416 12.778 -10.635 1.00 0.00 C ATOM 1845 O ARG A 114 -9.260 12.542 -9.440 1.00 0.00 O ATOM 1846 CB ARG A 114 -8.041 12.908 -12.724 1.00 0.00 C ATOM 1847 CG ARG A 114 -7.222 13.766 -13.673 1.00 0.00 C ATOM 1848 CD ARG A 114 -6.719 12.956 -14.858 1.00 0.00 C ATOM 1849 NE ARG A 114 -5.788 11.907 -14.437 1.00 0.00 N ATOM 1850 CZ ARG A 114 -5.528 10.799 -15.135 1.00 0.00 C ATOM 1851 NH1 ARG A 114 -6.132 10.565 -16.295 1.00 0.00 N ATOM 1852 NH2 ARG A 114 -4.663 9.913 -14.660 1.00 0.00 N ATOM 0 H ARG A 114 -6.449 13.110 -10.775 1.00 0.00 H new ATOM 0 HA ARG A 114 -8.817 14.580 -11.629 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -7.488 11.994 -12.507 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -8.964 12.611 -13.223 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -7.829 14.598 -14.030 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -6.375 14.196 -13.138 1.00 0.00 H new ATOM 0 HD2 ARG A 114 -7.565 12.506 -15.377 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -6.225 13.618 -15.569 1.00 0.00 H new ATOM 0 HE ARG A 114 -5.304 12.032 -13.548 1.00 0.00 H new ATOM 0 HH11 ARG A 114 -6.805 11.237 -16.664 1.00 0.00 H new ATOM 0 HH12 ARG A 114 -5.923 9.714 -16.816 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -4.201 10.080 -13.766 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -4.460 9.064 -15.188 1.00 0.00 H new ATOM 1866 N GLU A 115 -10.461 12.348 -11.314 1.00 0.00 N ATOM 1867 CA GLU A 115 -11.425 11.426 -10.737 1.00 0.00 C ATOM 1868 C GLU A 115 -11.352 10.129 -11.533 1.00 0.00 C ATOM 1869 O GLU A 115 -10.924 10.155 -12.680 1.00 0.00 O ATOM 1870 CB GLU A 115 -12.837 12.029 -10.801 1.00 0.00 C ATOM 1871 CG GLU A 115 -13.754 11.616 -9.654 1.00 0.00 C ATOM 1872 CD GLU A 115 -13.928 10.119 -9.551 1.00 0.00 C ATOM 1873 OE1 GLU A 115 -13.245 9.494 -8.708 1.00 0.00 O ATOM 1874 OE2 GLU A 115 -14.702 9.551 -10.344 1.00 0.00 O ATOM 0 H GLU A 115 -10.667 12.624 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 115 -11.198 11.235 -9.688 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -12.754 13.116 -10.810 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -13.301 11.737 -11.743 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.348 11.995 -8.716 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -14.730 12.082 -9.790 1.00 0.00 H new ATOM 1881 N LEU A 116 -11.726 9.003 -10.932 1.00 0.00 N ATOM 1882 CA LEU A 116 -11.739 7.724 -11.646 1.00 0.00 C ATOM 1883 C LEU A 116 -12.601 7.815 -12.910 1.00 0.00 C ATOM 1884 O LEU A 116 -12.273 7.222 -13.935 1.00 0.00 O ATOM 1885 CB LEU A 116 -12.230 6.598 -10.722 1.00 0.00 C ATOM 1886 CG LEU A 116 -12.542 5.259 -11.401 1.00 0.00 C ATOM 1887 CD1 LEU A 116 -11.341 4.740 -12.180 1.00 0.00 C ATOM 1888 CD2 LEU A 116 -12.978 4.239 -10.363 1.00 0.00 C ATOM 0 H LEU A 116 -12.023 8.947 -9.958 1.00 0.00 H new ATOM 0 HA LEU A 116 -10.720 7.491 -11.954 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -11.473 6.427 -9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -13.129 6.941 -10.210 1.00 0.00 H new ATOM 0 HG LEU A 116 -13.355 5.419 -12.109 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -11.595 3.790 -12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -11.066 5.462 -12.949 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -10.501 4.596 -11.500 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -13.198 3.291 -10.854 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -12.178 4.095 -9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -13.871 4.599 -9.852 1.00 0.00 H new ATOM 1900 N ALA A 117 -13.678 8.590 -12.843 1.00 0.00 N ATOM 1901 CA ALA A 117 -14.519 8.840 -14.015 1.00 0.00 C ATOM 1902 C ALA A 117 -13.745 9.552 -15.131 1.00 0.00 C ATOM 1903 O ALA A 117 -14.157 9.540 -16.292 1.00 0.00 O ATOM 1904 CB ALA A 117 -15.732 9.666 -13.618 1.00 0.00 C ATOM 0 H ALA A 117 -13.992 9.057 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 117 -14.844 7.874 -14.401 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -16.352 9.847 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -16.312 9.125 -12.870 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -15.403 10.619 -13.203 1.00 0.00 H new ATOM 1910 N LEU A 118 -12.625 10.170 -14.770 1.00 0.00 N ATOM 1911 CA LEU A 118 -11.788 10.885 -15.729 1.00 0.00 C ATOM 1912 C LEU A 118 -10.597 10.031 -16.153 1.00 0.00 C ATOM 1913 O LEU A 118 -9.804 10.432 -17.009 1.00 0.00 O ATOM 1914 CB LEU A 118 -11.279 12.196 -15.120 1.00 0.00 C ATOM 1915 CG LEU A 118 -12.360 13.182 -14.675 1.00 0.00 C ATOM 1916 CD1 LEU A 118 -11.726 14.405 -14.030 1.00 0.00 C ATOM 1917 CD2 LEU A 118 -13.228 13.592 -15.857 1.00 0.00 C ATOM 0 H LEU A 118 -12.273 10.190 -13.813 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.397 11.104 -16.606 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.654 11.957 -14.260 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -10.640 12.691 -15.851 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.995 12.691 -13.938 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.507 15.098 -13.718 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -11.145 14.098 -13.160 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -11.070 14.897 -14.749 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.992 14.294 -15.522 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -12.607 14.067 -16.617 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.707 12.709 -16.280 1.00 0.00 H new ATOM 1929 N LEU A 119 -10.465 8.863 -15.541 1.00 0.00 N ATOM 1930 CA LEU A 119 -9.367 7.961 -15.856 1.00 0.00 C ATOM 1931 C LEU A 119 -9.812 6.939 -16.889 1.00 0.00 C ATOM 1932 O LEU A 119 -10.315 5.866 -16.557 1.00 0.00 O ATOM 1933 CB LEU A 119 -8.829 7.270 -14.591 1.00 0.00 C ATOM 1934 CG LEU A 119 -7.725 8.036 -13.846 1.00 0.00 C ATOM 1935 CD1 LEU A 119 -8.151 9.458 -13.539 1.00 0.00 C ATOM 1936 CD2 LEU A 119 -7.339 7.323 -12.559 1.00 0.00 C ATOM 0 H LEU A 119 -11.104 8.518 -14.824 1.00 0.00 H new ATOM 0 HA LEU A 119 -8.551 8.548 -16.276 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.660 7.105 -13.905 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -8.444 6.289 -14.868 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.856 8.070 -14.503 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.348 9.973 -13.012 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -8.368 9.982 -14.470 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.044 9.443 -12.914 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.556 7.886 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -8.211 7.248 -11.909 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.973 6.323 -12.793 1.00 0.00 H new ATOM 1948 N VAL A 120 -9.659 7.310 -18.150 1.00 0.00 N ATOM 1949 CA VAL A 120 -10.054 6.457 -19.253 1.00 0.00 C ATOM 1950 C VAL A 120 -8.850 5.636 -19.717 1.00 0.00 C ATOM 1951 O VAL A 120 -7.716 5.910 -19.324 1.00 0.00 O ATOM 1952 CB VAL A 120 -10.609 7.302 -20.430 1.00 0.00 C ATOM 1953 CG1 VAL A 120 -11.297 6.430 -21.478 1.00 0.00 C ATOM 1954 CG2 VAL A 120 -11.565 8.370 -19.915 1.00 0.00 C ATOM 0 H VAL A 120 -9.260 8.205 -18.434 1.00 0.00 H new ATOM 0 HA VAL A 120 -10.844 5.786 -18.915 1.00 0.00 H new ATOM 0 HB VAL A 120 -9.762 7.789 -20.913 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -11.672 7.059 -22.285 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -10.582 5.712 -21.880 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -12.129 5.896 -21.018 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -11.945 8.953 -20.754 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -12.398 7.894 -19.397 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -11.037 9.028 -19.225 1.00 0.00 H new ATOM 1964 N SER A 121 -9.106 4.640 -20.548 1.00 0.00 N ATOM 1965 CA SER A 121 -8.067 3.788 -21.103 1.00 0.00 C ATOM 1966 C SER A 121 -7.074 4.594 -21.946 1.00 0.00 C ATOM 1967 O SER A 121 -7.292 5.783 -22.195 1.00 0.00 O ATOM 1968 CB SER A 121 -8.733 2.694 -21.932 1.00 0.00 C ATOM 1969 OG SER A 121 -9.866 3.205 -22.617 1.00 0.00 O ATOM 0 H SER A 121 -10.047 4.398 -20.859 1.00 0.00 H new ATOM 0 HA SER A 121 -7.494 3.338 -20.292 1.00 0.00 H new ATOM 0 HB2 SER A 121 -8.020 2.289 -22.650 1.00 0.00 H new ATOM 0 HB3 SER A 121 -9.034 1.871 -21.283 1.00 0.00 H new ATOM 0 HG SER A 121 -9.590 3.942 -23.201 1.00 0.00 H new ATOM 1975 N ALA A 122 -5.982 3.943 -22.370 1.00 0.00 N ATOM 1976 CA ALA A 122 -4.921 4.605 -23.139 1.00 0.00 C ATOM 1977 C ALA A 122 -5.506 5.413 -24.291 1.00 0.00 C ATOM 1978 O ALA A 122 -5.036 6.505 -24.605 1.00 0.00 O ATOM 1979 CB ALA A 122 -3.930 3.577 -23.664 1.00 0.00 C ATOM 0 H ALA A 122 -5.811 2.953 -22.192 1.00 0.00 H new ATOM 0 HA ALA A 122 -4.397 5.292 -22.474 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.149 4.082 -24.232 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -3.482 3.043 -22.826 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -4.449 2.869 -24.310 1.00 0.00 H new ATOM 1985 N HIS A 123 -6.532 4.860 -24.916 1.00 0.00 N ATOM 1986 CA HIS A 123 -7.336 5.605 -25.862 1.00 0.00 C ATOM 1987 C HIS A 123 -8.784 5.541 -25.415 1.00 0.00 C ATOM 1988 O HIS A 123 -9.174 4.613 -24.712 1.00 0.00 O ATOM 1989 CB HIS A 123 -7.189 5.058 -27.297 1.00 0.00 C ATOM 1990 CG HIS A 123 -7.748 3.675 -27.520 1.00 0.00 C ATOM 1991 ND1 HIS A 123 -9.020 3.201 -27.454 1.00 0.00 N flip ATOM 1992 CD2 HIS A 123 -6.970 2.606 -27.896 1.00 0.00 C flip ATOM 1993 CE1 HIS A 123 -8.980 1.873 -27.791 1.00 0.00 C flip ATOM 1994 NE2 HIS A 123 -7.731 1.540 -28.052 1.00 0.00 N flip ATOM 0 H HIS A 123 -6.826 3.893 -24.782 1.00 0.00 H new ATOM 0 HA HIS A 123 -6.991 6.639 -25.882 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -7.683 5.746 -27.983 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -6.131 5.051 -27.559 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -5.900 2.635 -28.041 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -9.831 1.209 -27.835 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.407 0.613 -28.328 1.00 0.00 H new ATOM 2003 N ASP A 124 -9.572 6.518 -25.803 1.00 0.00 N ATOM 2004 CA ASP A 124 -11.001 6.460 -25.561 1.00 0.00 C ATOM 2005 C ASP A 124 -11.677 5.900 -26.797 1.00 0.00 C ATOM 2006 O ASP A 124 -12.661 5.159 -26.714 1.00 0.00 O ATOM 2007 CB ASP A 124 -11.551 7.842 -25.216 1.00 0.00 C ATOM 2008 CG ASP A 124 -13.060 7.854 -25.098 1.00 0.00 C ATOM 2009 OD1 ASP A 124 -13.729 8.324 -26.040 1.00 0.00 O ATOM 2010 OD2 ASP A 124 -13.586 7.400 -24.059 1.00 0.00 O ATOM 0 H ASP A 124 -9.253 7.359 -26.285 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.203 5.811 -24.709 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -11.114 8.179 -24.276 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -11.244 8.553 -25.983 1.00 0.00 H new ATOM 2015 N ASP A 125 -11.099 6.231 -27.943 1.00 0.00 N ATOM 2016 CA ASP A 125 -11.560 5.722 -29.223 1.00 0.00 C ATOM 2017 C ASP A 125 -10.466 5.896 -30.269 1.00 0.00 C ATOM 2018 O ASP A 125 -9.792 4.896 -30.602 1.00 0.00 O ATOM 2019 CB ASP A 125 -12.834 6.442 -29.664 1.00 0.00 C ATOM 2020 CG ASP A 125 -13.413 5.847 -30.927 1.00 0.00 C ATOM 2021 OD1 ASP A 125 -13.354 6.506 -31.982 1.00 0.00 O ATOM 2022 OD2 ASP A 125 -13.937 4.714 -30.869 1.00 0.00 O ATOM 0 H ASP A 125 -10.298 6.859 -28.010 1.00 0.00 H new ATOM 0 HA ASP A 125 -11.789 4.662 -29.117 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -13.575 6.390 -28.866 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -12.616 7.497 -29.827 1.00 0.00 H new TER 2027 ASP A 125