USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 797 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 18 MET CE :methyl 163:sc= -2.92 (180deg=-1.33) USER MOD Set 1.2: A 82 MET CE :methyl -158:sc= -7.87! (180deg=-11!) USER MOD Set 1.3: A 86 MET CE :methyl -174:sc= -8.95! (180deg=-8.58!) USER MOD Single : A 1 ALA N :NH3+ -104:sc= 0.0154 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 6 GLN : amide:sc= -4.54! C(o=-4.5!,f=-12!) USER MOD Single : A 7 GLN : amide:sc= -0.169 X(o=-0.17,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0145 USER MOD Single : A 23 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0422) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= -0.0546 (180deg=-0.402) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -134:sc= -1.89 (180deg=-5.21!) USER MOD Single : A 48 MET CE :methyl 171:sc= -9.75! (180deg=-10.2!) USER MOD Single : A 51 GLN : amide:sc= -0.757 K(o=-0.76,f=-2.9!) USER MOD Single : A 52 ASN : amide:sc= -0.0515 K(o=-0.051,f=-0.61) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 43:sc= -0.855 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -126:sc= -2.38! (180deg=-7.88!) USER MOD Single : A 85 GLN : amide:sc= -1.22 K(o=-1.2,f=-3.8!) USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 1.1 (180deg=1.08) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot -59:sc= 1.04 USER MOD Single : B 121 MET CE :methyl 159:sc= -5.66! (180deg=-7.41!) USER MOD Single : B 128 SER OG : rot 180:sc= 0.0728 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.56) USER MOD Single : B 131 LYS NZ :NH3+ 161:sc=-0.00586 (180deg=-0.429) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -26.001 1.297 -7.852 1.00 0.00 N ATOM 2 CA ALA A 1 -24.947 0.264 -8.015 1.00 0.00 C ATOM 3 C ALA A 1 -23.639 0.710 -7.372 1.00 0.00 C ATOM 4 O ALA A 1 -23.285 1.888 -7.415 1.00 0.00 O ATOM 5 CB ALA A 1 -24.732 -0.043 -9.489 1.00 0.00 C ATOM 0 H1 ALA A 1 -26.667 0.999 -7.111 1.00 0.00 H new ATOM 0 H2 ALA A 1 -25.563 2.200 -7.581 1.00 0.00 H new ATOM 0 H3 ALA A 1 -26.513 1.416 -8.750 1.00 0.00 H new ATOM 0 HA ALA A 1 -25.281 -0.643 -7.511 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.957 -0.802 -9.593 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -25.661 -0.412 -9.923 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.424 0.864 -10.008 1.00 0.00 H new ATOM 13 N SER A 2 -22.923 -0.239 -6.775 1.00 0.00 N ATOM 14 CA SER A 2 -21.653 0.058 -6.124 1.00 0.00 C ATOM 15 C SER A 2 -20.935 -1.226 -5.724 1.00 0.00 C ATOM 16 O SER A 2 -21.567 -2.256 -5.487 1.00 0.00 O ATOM 17 CB SER A 2 -21.883 0.934 -4.891 1.00 0.00 C ATOM 18 OG SER A 2 -20.809 1.840 -4.701 1.00 0.00 O ATOM 0 H SER A 2 -23.201 -1.219 -6.729 1.00 0.00 H new ATOM 0 HA SER A 2 -21.025 0.598 -6.833 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.815 1.488 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.992 0.304 -4.008 1.00 0.00 H new ATOM 0 HG SER A 2 -20.981 2.389 -3.908 1.00 0.00 H new ATOM 24 N MET A 3 -19.610 -1.159 -5.651 1.00 0.00 N ATOM 25 CA MET A 3 -18.805 -2.317 -5.279 1.00 0.00 C ATOM 26 C MET A 3 -17.887 -1.987 -4.107 1.00 0.00 C ATOM 27 O MET A 3 -17.849 -2.711 -3.112 1.00 0.00 O ATOM 28 CB MET A 3 -17.974 -2.791 -6.473 1.00 0.00 C ATOM 29 CG MET A 3 -18.803 -3.075 -7.716 1.00 0.00 C ATOM 30 SD MET A 3 -17.901 -2.744 -9.242 1.00 0.00 S ATOM 31 CE MET A 3 -18.633 -1.186 -9.736 1.00 0.00 C ATOM 0 H MET A 3 -19.071 -0.315 -5.844 1.00 0.00 H new ATOM 0 HA MET A 3 -19.481 -3.116 -4.975 1.00 0.00 H new ATOM 0 HB2 MET A 3 -17.227 -2.033 -6.710 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.433 -3.695 -6.193 1.00 0.00 H new ATOM 0 HG2 MET A 3 -19.121 -4.117 -7.705 1.00 0.00 H new ATOM 0 HG3 MET A 3 -19.706 -2.465 -7.693 1.00 0.00 H new ATOM 0 HE1 MET A 3 -18.178 -0.849 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.705 -1.318 -9.883 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.463 -0.441 -8.959 1.00 0.00 H new ATOM 41 N THR A 4 -17.148 -0.888 -4.232 1.00 0.00 N ATOM 42 CA THR A 4 -16.230 -0.462 -3.183 1.00 0.00 C ATOM 43 C THR A 4 -15.562 0.860 -3.551 1.00 0.00 C ATOM 44 O THR A 4 -14.730 0.916 -4.456 1.00 0.00 O ATOM 45 CB THR A 4 -15.165 -1.533 -2.943 1.00 0.00 C ATOM 46 OG1 THR A 4 -14.324 -1.171 -1.863 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.283 -1.783 -4.147 1.00 0.00 C ATOM 0 H THR A 4 -17.168 -0.278 -5.049 1.00 0.00 H new ATOM 0 HA THR A 4 -16.804 -0.318 -2.268 1.00 0.00 H new ATOM 0 HB THR A 4 -15.719 -2.446 -2.724 1.00 0.00 H new ATOM 0 HG1 THR A 4 -13.651 -1.869 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.550 -2.554 -3.908 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.897 -2.114 -4.985 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.766 -0.862 -4.417 1.00 0.00 H new ATOM 55 N ASP A 5 -15.935 1.923 -2.844 1.00 0.00 N ATOM 56 CA ASP A 5 -15.370 3.244 -3.098 1.00 0.00 C ATOM 57 C ASP A 5 -14.390 3.656 -2.001 1.00 0.00 C ATOM 58 O ASP A 5 -13.843 4.759 -2.034 1.00 0.00 O ATOM 59 CB ASP A 5 -16.484 4.285 -3.212 1.00 0.00 C ATOM 60 CG ASP A 5 -17.429 3.997 -4.362 1.00 0.00 C ATOM 61 OD1 ASP A 5 -18.260 3.074 -4.231 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.339 4.695 -5.393 1.00 0.00 O ATOM 0 H ASP A 5 -16.624 1.895 -2.093 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.824 3.192 -4.040 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.048 4.313 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.042 5.272 -3.347 1.00 0.00 H new ATOM 67 N GLN A 6 -14.166 2.770 -1.032 1.00 0.00 N ATOM 68 CA GLN A 6 -13.246 3.057 0.064 1.00 0.00 C ATOM 69 C GLN A 6 -11.886 3.500 -0.470 1.00 0.00 C ATOM 70 O GLN A 6 -11.150 4.224 0.201 1.00 0.00 O ATOM 71 CB GLN A 6 -13.085 1.826 0.958 1.00 0.00 C ATOM 72 CG GLN A 6 -12.638 0.582 0.208 1.00 0.00 C ATOM 73 CD GLN A 6 -11.965 -0.432 1.111 1.00 0.00 C ATOM 74 OE1 GLN A 6 -12.231 -0.485 2.312 1.00 0.00 O ATOM 75 NE2 GLN A 6 -11.086 -1.246 0.535 1.00 0.00 N ATOM 0 H GLN A 6 -14.607 1.852 -0.984 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.665 3.871 0.655 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.359 2.048 1.741 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.034 1.620 1.453 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.502 0.120 -0.270 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.949 0.869 -0.587 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.896 -1.167 -0.464 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.601 -1.950 1.092 1.00 0.00 H new ATOM 84 N GLN A 7 -11.564 3.066 -1.685 1.00 0.00 N ATOM 85 CA GLN A 7 -10.294 3.425 -2.315 1.00 0.00 C ATOM 86 C GLN A 7 -10.206 4.925 -2.536 1.00 0.00 C ATOM 87 O GLN A 7 -9.125 5.511 -2.487 1.00 0.00 O ATOM 88 CB GLN A 7 -10.123 2.721 -3.664 1.00 0.00 C ATOM 89 CG GLN A 7 -11.410 2.564 -4.460 1.00 0.00 C ATOM 90 CD GLN A 7 -11.173 2.582 -5.957 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.916 3.215 -6.707 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.133 1.886 -6.400 1.00 0.00 N ATOM 0 H GLN A 7 -12.162 2.466 -2.253 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.501 3.105 -1.639 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.406 3.281 -4.264 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.694 1.734 -3.493 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -11.892 1.627 -4.183 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.098 3.367 -4.195 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.543 1.376 -5.742 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -9.924 1.862 -7.398 1.00 0.00 H new ATOM 101 N ALA A 8 -11.350 5.536 -2.796 1.00 0.00 N ATOM 102 CA ALA A 8 -11.405 6.964 -3.043 1.00 0.00 C ATOM 103 C ALA A 8 -11.200 7.748 -1.753 1.00 0.00 C ATOM 104 O ALA A 8 -10.345 8.630 -1.680 1.00 0.00 O ATOM 105 CB ALA A 8 -12.729 7.334 -3.694 1.00 0.00 C ATOM 0 H ALA A 8 -12.253 5.063 -2.841 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.597 7.227 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.758 8.409 -3.874 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.829 6.804 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.550 7.055 -3.033 1.00 0.00 H new ATOM 111 N GLU A 9 -11.983 7.411 -0.731 1.00 0.00 N ATOM 112 CA GLU A 9 -11.875 8.079 0.562 1.00 0.00 C ATOM 113 C GLU A 9 -10.452 7.955 1.091 1.00 0.00 C ATOM 114 O GLU A 9 -9.927 8.873 1.720 1.00 0.00 O ATOM 115 CB GLU A 9 -12.862 7.472 1.561 1.00 0.00 C ATOM 116 CG GLU A 9 -14.248 7.236 0.981 1.00 0.00 C ATOM 117 CD GLU A 9 -15.342 7.897 1.797 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.062 8.932 2.439 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.479 7.381 1.793 1.00 0.00 O ATOM 0 H GLU A 9 -12.696 6.683 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.117 9.134 0.433 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.463 6.525 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.946 8.133 2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.280 7.617 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.438 6.164 0.927 1.00 0.00 H new ATOM 126 N ALA A 10 -9.835 6.812 0.813 1.00 0.00 N ATOM 127 CA ALA A 10 -8.467 6.542 1.233 1.00 0.00 C ATOM 128 C ALA A 10 -7.548 7.717 0.923 1.00 0.00 C ATOM 129 O ALA A 10 -6.922 8.284 1.819 1.00 0.00 O ATOM 130 CB ALA A 10 -7.967 5.288 0.539 1.00 0.00 C ATOM 0 H ALA A 10 -10.268 6.050 0.292 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.459 6.394 2.313 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.943 5.083 0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.604 4.445 0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.995 5.434 -0.541 1.00 0.00 H new ATOM 136 N ARG A 11 -7.474 8.081 -0.354 1.00 0.00 N ATOM 137 CA ARG A 11 -6.633 9.192 -0.789 1.00 0.00 C ATOM 138 C ARG A 11 -6.931 10.451 0.020 1.00 0.00 C ATOM 139 O ARG A 11 -6.068 11.312 0.187 1.00 0.00 O ATOM 140 CB ARG A 11 -6.847 9.462 -2.281 1.00 0.00 C ATOM 141 CG ARG A 11 -5.669 9.050 -3.148 1.00 0.00 C ATOM 142 CD ARG A 11 -5.808 9.581 -4.566 1.00 0.00 C ATOM 143 NE ARG A 11 -5.990 11.031 -4.591 1.00 0.00 N ATOM 144 CZ ARG A 11 -6.348 11.714 -5.675 1.00 0.00 C ATOM 145 NH1 ARG A 11 -6.566 11.084 -6.824 1.00 0.00 N ATOM 146 NH2 ARG A 11 -6.491 13.031 -5.613 1.00 0.00 N ATOM 0 H ARG A 11 -7.987 7.622 -1.107 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.591 8.917 -0.622 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.737 8.928 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.040 10.525 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.744 9.423 -2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.596 7.963 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.920 9.317 -5.141 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.657 9.100 -5.052 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.833 11.550 -3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.459 10.071 -6.879 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.840 11.613 -7.652 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.326 13.521 -4.734 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.766 13.554 -6.445 1.00 0.00 H new ATOM 160 N ALA A 12 -8.158 10.547 0.522 1.00 0.00 N ATOM 161 CA ALA A 12 -8.570 11.697 1.317 1.00 0.00 C ATOM 162 C ALA A 12 -8.382 11.434 2.810 1.00 0.00 C ATOM 163 O ALA A 12 -8.329 12.369 3.609 1.00 0.00 O ATOM 164 CB ALA A 12 -10.019 12.049 1.020 1.00 0.00 C ATOM 0 H ALA A 12 -8.884 9.842 0.392 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.937 12.541 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.315 12.910 1.620 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.125 12.290 -0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.657 11.200 1.264 1.00 0.00 H new ATOM 170 N PHE A 13 -8.283 10.160 3.181 1.00 0.00 N ATOM 171 CA PHE A 13 -8.104 9.786 4.579 1.00 0.00 C ATOM 172 C PHE A 13 -6.690 10.110 5.055 1.00 0.00 C ATOM 173 O PHE A 13 -6.460 10.319 6.247 1.00 0.00 O ATOM 174 CB PHE A 13 -8.396 8.297 4.772 1.00 0.00 C ATOM 175 CG PHE A 13 -9.490 8.025 5.764 1.00 0.00 C ATOM 176 CD1 PHE A 13 -9.439 8.571 7.038 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.570 7.227 5.425 1.00 0.00 C ATOM 178 CE1 PHE A 13 -10.444 8.325 7.953 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.578 6.976 6.336 1.00 0.00 C ATOM 180 CZ PHE A 13 -11.516 7.526 7.602 1.00 0.00 C ATOM 0 H PHE A 13 -8.324 9.372 2.534 1.00 0.00 H new ATOM 0 HA PHE A 13 -8.807 10.366 5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.671 7.861 3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.486 7.796 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.604 9.196 7.318 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -10.625 6.796 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -10.392 8.756 8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.414 6.350 6.059 1.00 0.00 H new ATOM 0 HZ PHE A 13 -12.303 7.332 8.316 1.00 0.00 H new ATOM 190 N LEU A 14 -5.746 10.149 4.120 1.00 0.00 N ATOM 191 CA LEU A 14 -4.357 10.446 4.449 1.00 0.00 C ATOM 192 C LEU A 14 -3.936 11.794 3.875 1.00 0.00 C ATOM 193 O LEU A 14 -4.618 12.359 3.021 1.00 0.00 O ATOM 194 CB LEU A 14 -3.439 9.345 3.915 1.00 0.00 C ATOM 195 CG LEU A 14 -3.961 7.920 4.106 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.239 6.958 3.173 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.800 7.484 5.554 1.00 0.00 C ATOM 0 H LEU A 14 -5.918 9.979 3.129 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.270 10.491 5.535 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.273 9.516 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.470 9.430 4.407 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.023 7.905 3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.623 5.949 3.323 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.406 7.260 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.171 6.975 3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.176 6.468 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.745 7.514 5.828 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.363 8.157 6.201 1.00 0.00 H new ATOM 209 N SER A 15 -2.805 12.304 4.351 1.00 0.00 N ATOM 210 CA SER A 15 -2.285 13.585 3.887 1.00 0.00 C ATOM 211 C SER A 15 -1.505 13.411 2.590 1.00 0.00 C ATOM 212 O SER A 15 -1.062 12.309 2.266 1.00 0.00 O ATOM 213 CB SER A 15 -1.380 14.209 4.952 1.00 0.00 C ATOM 214 OG SER A 15 -1.685 13.704 6.240 1.00 0.00 O ATOM 0 H SER A 15 -2.230 11.848 5.060 1.00 0.00 H new ATOM 0 HA SER A 15 -3.131 14.248 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.337 14.001 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.499 15.292 4.945 1.00 0.00 H new ATOM 0 HG SER A 15 -1.092 14.117 6.902 1.00 0.00 H new ATOM 220 N GLU A 16 -1.324 14.507 1.856 1.00 0.00 N ATOM 221 CA GLU A 16 -0.577 14.464 0.603 1.00 0.00 C ATOM 222 C GLU A 16 0.760 13.759 0.811 1.00 0.00 C ATOM 223 O GLU A 16 1.308 13.151 -0.109 1.00 0.00 O ATOM 224 CB GLU A 16 -0.346 15.881 0.071 1.00 0.00 C ATOM 225 CG GLU A 16 -1.442 16.366 -0.864 1.00 0.00 C ATOM 226 CD GLU A 16 -1.285 17.827 -1.237 1.00 0.00 C ATOM 227 OE1 GLU A 16 -0.229 18.187 -1.797 1.00 0.00 O ATOM 228 OE2 GLU A 16 -2.219 18.613 -0.967 1.00 0.00 O ATOM 0 H GLU A 16 -1.682 15.429 2.106 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.160 13.906 -0.130 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.268 16.568 0.913 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.608 15.912 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.436 15.761 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.412 16.218 -0.389 1.00 0.00 H new ATOM 235 N GLU A 17 1.268 13.842 2.036 1.00 0.00 N ATOM 236 CA GLU A 17 2.530 13.211 2.393 1.00 0.00 C ATOM 237 C GLU A 17 2.448 11.699 2.205 1.00 0.00 C ATOM 238 O GLU A 17 3.262 11.104 1.500 1.00 0.00 O ATOM 239 CB GLU A 17 2.879 13.538 3.847 1.00 0.00 C ATOM 240 CG GLU A 17 3.788 14.746 3.997 1.00 0.00 C ATOM 241 CD GLU A 17 4.192 14.997 5.437 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.446 15.704 6.148 1.00 0.00 O ATOM 243 OE2 GLU A 17 5.252 14.486 5.854 1.00 0.00 O ATOM 0 H GLU A 17 0.820 14.344 2.802 1.00 0.00 H new ATOM 0 HA GLU A 17 3.310 13.598 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.958 13.716 4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.362 12.672 4.300 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.683 14.600 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.281 15.628 3.607 1.00 0.00 H new ATOM 250 N MET A 18 1.456 11.086 2.844 1.00 0.00 N ATOM 251 CA MET A 18 1.259 9.644 2.753 1.00 0.00 C ATOM 252 C MET A 18 0.994 9.212 1.311 1.00 0.00 C ATOM 253 O MET A 18 1.149 8.039 0.972 1.00 0.00 O ATOM 254 CB MET A 18 0.095 9.213 3.650 1.00 0.00 C ATOM 255 CG MET A 18 0.317 7.875 4.338 1.00 0.00 C ATOM 256 SD MET A 18 1.356 8.009 5.808 1.00 0.00 S ATOM 257 CE MET A 18 0.740 6.644 6.790 1.00 0.00 C ATOM 0 H MET A 18 0.775 11.567 3.432 1.00 0.00 H new ATOM 0 HA MET A 18 2.174 9.157 3.091 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.071 9.978 4.408 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.813 9.157 3.050 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.647 7.451 4.618 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.778 7.182 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.460 6.405 7.573 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.211 6.922 7.244 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.596 5.772 6.152 1.00 0.00 H new ATOM 267 N ILE A 19 0.598 10.161 0.467 1.00 0.00 N ATOM 268 CA ILE A 19 0.319 9.869 -0.935 1.00 0.00 C ATOM 269 C ILE A 19 1.607 9.857 -1.751 1.00 0.00 C ATOM 270 O ILE A 19 1.999 8.826 -2.300 1.00 0.00 O ATOM 271 CB ILE A 19 -0.660 10.899 -1.541 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.074 10.665 -1.004 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.648 10.828 -3.064 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.075 11.700 -1.470 1.00 0.00 C ATOM 0 H ILE A 19 0.463 11.137 0.730 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.143 8.882 -0.973 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.335 11.897 -1.246 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.413 9.677 -1.315 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.045 10.664 0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.345 11.562 -3.468 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.356 11.041 -3.430 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.947 9.830 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.055 11.472 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.759 12.688 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.133 11.686 -2.558 1.00 0.00 H new ATOM 286 N ALA A 20 2.262 11.011 -1.825 1.00 0.00 N ATOM 287 CA ALA A 20 3.508 11.141 -2.570 1.00 0.00 C ATOM 288 C ALA A 20 4.486 10.026 -2.206 1.00 0.00 C ATOM 289 O ALA A 20 5.341 9.649 -3.007 1.00 0.00 O ATOM 290 CB ALA A 20 4.126 12.503 -2.309 1.00 0.00 C ATOM 0 H ALA A 20 1.949 11.872 -1.376 1.00 0.00 H new ATOM 0 HA ALA A 20 3.286 11.051 -3.633 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.057 12.593 -2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.434 13.283 -2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.331 12.611 -1.244 1.00 0.00 H new ATOM 296 N GLU A 21 4.343 9.498 -0.995 1.00 0.00 N ATOM 297 CA GLU A 21 5.195 8.419 -0.523 1.00 0.00 C ATOM 298 C GLU A 21 4.625 7.074 -0.956 1.00 0.00 C ATOM 299 O GLU A 21 5.366 6.133 -1.235 1.00 0.00 O ATOM 300 CB GLU A 21 5.323 8.476 1.000 1.00 0.00 C ATOM 301 CG GLU A 21 6.083 9.692 1.502 1.00 0.00 C ATOM 302 CD GLU A 21 5.598 10.167 2.857 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.465 9.808 3.242 1.00 0.00 O ATOM 304 OE2 GLU A 21 6.351 10.898 3.534 1.00 0.00 O ATOM 0 H GLU A 21 3.641 9.804 -0.322 1.00 0.00 H new ATOM 0 HA GLU A 21 6.186 8.536 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.326 8.474 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.827 7.574 1.348 1.00 0.00 H new ATOM 0 HG2 GLU A 21 7.144 9.452 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.982 10.502 0.780 1.00 0.00 H new ATOM 311 N PHE A 22 3.298 6.999 -1.025 1.00 0.00 N ATOM 312 CA PHE A 22 2.622 5.777 -1.443 1.00 0.00 C ATOM 313 C PHE A 22 3.057 5.405 -2.858 1.00 0.00 C ATOM 314 O PHE A 22 3.161 4.228 -3.201 1.00 0.00 O ATOM 315 CB PHE A 22 1.095 5.960 -1.362 1.00 0.00 C ATOM 316 CG PHE A 22 0.381 5.900 -2.688 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.223 4.694 -3.353 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.131 7.051 -3.266 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.433 4.638 -4.568 1.00 0.00 C ATOM 320 CE2 PHE A 22 -0.788 7.000 -4.481 1.00 0.00 C ATOM 321 CZ PHE A 22 -0.939 5.792 -5.133 1.00 0.00 C ATOM 0 H PHE A 22 2.671 7.771 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 22 2.899 4.963 -0.773 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.685 5.190 -0.709 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.882 6.921 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.617 3.788 -2.917 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.015 7.999 -2.761 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.550 3.692 -5.076 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.183 7.904 -4.920 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.452 5.750 -6.083 1.00 0.00 H new ATOM 331 N LYS A 23 3.316 6.427 -3.666 1.00 0.00 N ATOM 332 CA LYS A 23 3.749 6.226 -5.040 1.00 0.00 C ATOM 333 C LYS A 23 5.205 5.763 -5.086 1.00 0.00 C ATOM 334 O LYS A 23 5.677 5.265 -6.108 1.00 0.00 O ATOM 335 CB LYS A 23 3.587 7.521 -5.838 1.00 0.00 C ATOM 336 CG LYS A 23 3.558 7.309 -7.343 1.00 0.00 C ATOM 337 CD LYS A 23 2.134 7.215 -7.866 1.00 0.00 C ATOM 338 CE LYS A 23 2.022 7.764 -9.278 1.00 0.00 C ATOM 339 NZ LYS A 23 2.878 7.011 -10.236 1.00 0.00 N ATOM 0 H LYS A 23 3.233 7.405 -3.390 1.00 0.00 H new ATOM 0 HA LYS A 23 3.125 5.451 -5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.665 8.014 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.407 8.196 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.074 8.132 -7.837 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.099 6.397 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.808 6.175 -7.852 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.466 7.767 -7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.983 7.717 -9.605 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.310 8.815 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.685 7.337 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.880 7.174 -10.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.668 5.995 -10.165 1.00 0.00 H new ATOM 353 N ALA A 24 5.912 5.936 -3.968 1.00 0.00 N ATOM 354 CA ALA A 24 7.318 5.545 -3.869 1.00 0.00 C ATOM 355 C ALA A 24 7.580 4.163 -4.469 1.00 0.00 C ATOM 356 O ALA A 24 8.115 4.045 -5.571 1.00 0.00 O ATOM 357 CB ALA A 24 7.765 5.571 -2.416 1.00 0.00 C ATOM 0 H ALA A 24 5.531 6.346 -3.115 1.00 0.00 H new ATOM 0 HA ALA A 24 7.896 6.267 -4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.813 5.278 -2.352 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.644 6.578 -2.016 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.158 4.875 -1.836 1.00 0.00 H new ATOM 363 N ALA A 25 7.216 3.124 -3.726 1.00 0.00 N ATOM 364 CA ALA A 25 7.427 1.748 -4.166 1.00 0.00 C ATOM 365 C ALA A 25 6.412 1.311 -5.222 1.00 0.00 C ATOM 366 O ALA A 25 6.464 0.181 -5.708 1.00 0.00 O ATOM 367 CB ALA A 25 7.382 0.810 -2.969 1.00 0.00 C ATOM 0 H ALA A 25 6.771 3.208 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 25 8.411 1.701 -4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.540 -0.215 -3.304 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.164 1.085 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.409 0.887 -2.483 1.00 0.00 H new ATOM 373 N PHE A 26 5.487 2.201 -5.579 1.00 0.00 N ATOM 374 CA PHE A 26 4.468 1.886 -6.578 1.00 0.00 C ATOM 375 C PHE A 26 5.092 1.310 -7.847 1.00 0.00 C ATOM 376 O PHE A 26 4.466 0.521 -8.554 1.00 0.00 O ATOM 377 CB PHE A 26 3.660 3.137 -6.921 1.00 0.00 C ATOM 378 CG PHE A 26 2.204 2.864 -7.168 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.484 2.043 -6.313 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.554 3.428 -8.254 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.145 1.790 -6.539 1.00 0.00 C ATOM 382 CE2 PHE A 26 0.214 3.179 -8.483 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.491 2.358 -7.624 1.00 0.00 C ATOM 0 H PHE A 26 5.423 3.143 -5.193 1.00 0.00 H new ATOM 0 HA PHE A 26 3.806 1.133 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.753 3.854 -6.106 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.089 3.604 -7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.976 1.597 -5.461 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.101 4.070 -8.929 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.404 1.148 -5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.281 3.626 -9.332 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.538 2.161 -7.801 1.00 0.00 H new ATOM 393 N ASP A 27 6.326 1.712 -8.132 1.00 0.00 N ATOM 394 CA ASP A 27 7.030 1.234 -9.318 1.00 0.00 C ATOM 395 C ASP A 27 7.621 -0.151 -9.081 1.00 0.00 C ATOM 396 O ASP A 27 7.256 -1.116 -9.754 1.00 0.00 O ATOM 397 CB ASP A 27 8.137 2.214 -9.710 1.00 0.00 C ATOM 398 CG ASP A 27 8.267 2.367 -11.212 1.00 0.00 C ATOM 399 OD1 ASP A 27 7.268 2.746 -11.860 1.00 0.00 O ATOM 400 OD2 ASP A 27 9.368 2.108 -11.743 1.00 0.00 O ATOM 0 H ASP A 27 6.859 2.366 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 27 6.309 1.166 -10.133 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.931 3.187 -9.265 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.086 1.870 -9.299 1.00 0.00 H new ATOM 405 N MET A 28 8.536 -0.245 -8.122 1.00 0.00 N ATOM 406 CA MET A 28 9.178 -1.514 -7.797 1.00 0.00 C ATOM 407 C MET A 28 8.143 -2.571 -7.423 1.00 0.00 C ATOM 408 O MET A 28 8.374 -3.768 -7.594 1.00 0.00 O ATOM 409 CB MET A 28 10.175 -1.328 -6.653 1.00 0.00 C ATOM 410 CG MET A 28 11.600 -1.078 -7.122 1.00 0.00 C ATOM 411 SD MET A 28 12.439 0.192 -6.155 1.00 0.00 S ATOM 412 CE MET A 28 12.328 1.592 -7.267 1.00 0.00 C ATOM 0 H MET A 28 8.850 0.543 -7.556 1.00 0.00 H new ATOM 0 HA MET A 28 9.714 -1.857 -8.682 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.853 -0.491 -6.034 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.160 -2.216 -6.021 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.166 -2.008 -7.062 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.586 -0.780 -8.170 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.804 2.459 -6.809 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.832 1.353 -8.204 1.00 0.00 H new ATOM 0 HE3 MET A 28 11.280 1.817 -7.466 1.00 0.00 H new ATOM 422 N PHE A 29 6.999 -2.121 -6.915 1.00 0.00 N ATOM 423 CA PHE A 29 5.926 -3.027 -6.521 1.00 0.00 C ATOM 424 C PHE A 29 5.516 -3.923 -7.686 1.00 0.00 C ATOM 425 O PHE A 29 5.763 -5.130 -7.673 1.00 0.00 O ATOM 426 CB PHE A 29 4.714 -2.232 -6.033 1.00 0.00 C ATOM 427 CG PHE A 29 4.672 -2.040 -4.544 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.835 -3.117 -3.687 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.465 -0.783 -4.000 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.792 -2.942 -2.317 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.422 -0.603 -2.631 1.00 0.00 C ATOM 432 CZ PHE A 29 4.585 -1.684 -1.789 1.00 0.00 C ATOM 0 H PHE A 29 6.792 -1.133 -6.767 1.00 0.00 H new ATOM 0 HA PHE A 29 6.295 -3.655 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.714 -1.255 -6.516 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.805 -2.743 -6.349 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.997 -4.104 -4.094 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.336 0.067 -4.654 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.920 -3.789 -1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.261 0.383 -2.220 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.551 -1.546 -0.718 1.00 0.00 H new ATOM 442 N ASP A 30 4.888 -3.321 -8.691 1.00 0.00 N ATOM 443 CA ASP A 30 4.439 -4.055 -9.866 1.00 0.00 C ATOM 444 C ASP A 30 5.609 -4.736 -10.565 1.00 0.00 C ATOM 445 O ASP A 30 6.548 -4.078 -11.014 1.00 0.00 O ATOM 446 CB ASP A 30 3.728 -3.116 -10.840 1.00 0.00 C ATOM 447 CG ASP A 30 2.322 -2.770 -10.386 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.513 -3.702 -10.198 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.032 -1.567 -10.217 1.00 0.00 O ATOM 0 H ASP A 30 4.679 -2.323 -8.714 1.00 0.00 H new ATOM 0 HA ASP A 30 3.740 -4.823 -9.535 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.309 -2.200 -10.947 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.685 -3.582 -11.824 1.00 0.00 H new ATOM 454 N ALA A 31 5.542 -6.057 -10.656 1.00 0.00 N ATOM 455 CA ALA A 31 6.589 -6.836 -11.302 1.00 0.00 C ATOM 456 C ALA A 31 6.315 -6.982 -12.795 1.00 0.00 C ATOM 457 O ALA A 31 7.182 -6.707 -13.626 1.00 0.00 O ATOM 458 CB ALA A 31 6.706 -8.205 -10.651 1.00 0.00 C ATOM 0 H ALA A 31 4.770 -6.614 -10.289 1.00 0.00 H new ATOM 0 HA ALA A 31 7.533 -6.306 -11.179 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.492 -8.776 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.951 -8.086 -9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.758 -8.735 -10.746 1.00 0.00 H new ATOM 464 N ASP A 32 5.104 -7.414 -13.127 1.00 0.00 N ATOM 465 CA ASP A 32 4.710 -7.595 -14.520 1.00 0.00 C ATOM 466 C ASP A 32 4.151 -6.299 -15.096 1.00 0.00 C ATOM 467 O ASP A 32 4.241 -6.053 -16.299 1.00 0.00 O ATOM 468 CB ASP A 32 3.669 -8.709 -14.635 1.00 0.00 C ATOM 469 CG ASP A 32 2.436 -8.437 -13.794 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.578 -7.836 -12.709 1.00 0.00 O ATOM 471 OD2 ASP A 32 1.329 -8.824 -14.223 1.00 0.00 O ATOM 0 H ASP A 32 4.377 -7.646 -12.450 1.00 0.00 H new ATOM 0 HA ASP A 32 5.595 -7.875 -15.091 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.376 -8.822 -15.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.116 -9.654 -14.325 1.00 0.00 H new ATOM 476 N GLY A 33 3.575 -5.472 -14.231 1.00 0.00 N ATOM 477 CA GLY A 33 3.009 -4.211 -14.673 1.00 0.00 C ATOM 478 C GLY A 33 1.617 -4.368 -15.251 1.00 0.00 C ATOM 479 O GLY A 33 1.267 -3.713 -16.232 1.00 0.00 O ATOM 0 H GLY A 33 3.490 -5.652 -13.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.973 -3.518 -13.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.662 -3.767 -15.424 1.00 0.00 H new ATOM 483 N GLY A 34 0.820 -5.241 -14.642 1.00 0.00 N ATOM 484 CA GLY A 34 -0.532 -5.466 -15.118 1.00 0.00 C ATOM 485 C GLY A 34 -1.250 -6.549 -14.337 1.00 0.00 C ATOM 486 O GLY A 34 -2.005 -7.336 -14.906 1.00 0.00 O ATOM 0 H GLY A 34 1.086 -5.796 -13.828 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.098 -4.537 -15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.501 -5.742 -16.172 1.00 0.00 H new ATOM 490 N GLY A 35 -1.014 -6.588 -13.029 1.00 0.00 N ATOM 491 CA GLY A 35 -1.653 -7.587 -12.192 1.00 0.00 C ATOM 492 C GLY A 35 -1.740 -7.158 -10.740 1.00 0.00 C ATOM 493 O GLY A 35 -1.814 -7.998 -9.842 1.00 0.00 O ATOM 0 H GLY A 35 -0.393 -5.947 -12.535 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.656 -7.785 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.097 -8.522 -12.259 1.00 0.00 H new ATOM 497 N ASP A 36 -1.731 -5.850 -10.506 1.00 0.00 N ATOM 498 CA ASP A 36 -1.809 -5.312 -9.152 1.00 0.00 C ATOM 499 C ASP A 36 -0.687 -5.863 -8.278 1.00 0.00 C ATOM 500 O ASP A 36 0.180 -6.598 -8.751 1.00 0.00 O ATOM 501 CB ASP A 36 -3.165 -5.643 -8.526 1.00 0.00 C ATOM 502 CG ASP A 36 -4.301 -4.868 -9.165 1.00 0.00 C ATOM 503 OD1 ASP A 36 -4.027 -3.828 -9.800 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.465 -5.302 -9.031 1.00 0.00 O ATOM 0 H ASP A 36 -1.670 -5.142 -11.237 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.698 -4.229 -9.214 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.357 -6.711 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.133 -5.422 -7.459 1.00 0.00 H new ATOM 509 N ILE A 37 -0.712 -5.500 -7.000 1.00 0.00 N ATOM 510 CA ILE A 37 0.300 -5.952 -6.056 1.00 0.00 C ATOM 511 C ILE A 37 -0.195 -7.150 -5.250 1.00 0.00 C ATOM 512 O ILE A 37 -1.253 -7.097 -4.624 1.00 0.00 O ATOM 513 CB ILE A 37 0.699 -4.813 -5.093 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.386 -3.689 -5.865 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.602 -5.327 -3.982 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.729 -2.495 -5.003 1.00 0.00 C ATOM 0 H ILE A 37 -1.424 -4.893 -6.595 1.00 0.00 H new ATOM 0 HA ILE A 37 1.173 -6.254 -6.634 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.208 -4.421 -4.632 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.299 -4.075 -6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.736 -3.366 -6.679 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.867 -4.504 -3.319 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.078 -6.096 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.508 -5.750 -4.416 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.215 -1.733 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.817 -2.085 -4.569 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.403 -2.804 -4.204 1.00 0.00 H new ATOM 528 N SER A 38 0.583 -8.227 -5.269 1.00 0.00 N ATOM 529 CA SER A 38 0.232 -9.440 -4.538 1.00 0.00 C ATOM 530 C SER A 38 1.053 -9.554 -3.255 1.00 0.00 C ATOM 531 O SER A 38 1.665 -8.583 -2.812 1.00 0.00 O ATOM 532 CB SER A 38 0.453 -10.672 -5.418 1.00 0.00 C ATOM 533 OG SER A 38 0.513 -10.317 -6.789 1.00 0.00 O ATOM 0 H SER A 38 1.462 -8.285 -5.783 1.00 0.00 H new ATOM 0 HA SER A 38 -0.823 -9.385 -4.268 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.379 -11.169 -5.127 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.355 -11.386 -5.259 1.00 0.00 H new ATOM 0 HG SER A 38 0.657 -11.122 -7.329 1.00 0.00 H new ATOM 539 N THR A 39 1.060 -10.745 -2.664 1.00 0.00 N ATOM 540 CA THR A 39 1.807 -10.982 -1.433 1.00 0.00 C ATOM 541 C THR A 39 3.310 -10.961 -1.689 1.00 0.00 C ATOM 542 O THR A 39 4.083 -10.473 -0.865 1.00 0.00 O ATOM 543 CB THR A 39 1.402 -12.322 -0.818 1.00 0.00 C ATOM 544 OG1 THR A 39 1.589 -13.376 -1.747 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.040 -12.362 -0.362 1.00 0.00 C ATOM 0 H THR A 39 0.558 -11.560 -3.017 1.00 0.00 H new ATOM 0 HA THR A 39 1.568 -10.180 -0.735 1.00 0.00 H new ATOM 0 HB THR A 39 2.044 -12.445 0.054 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.326 -14.226 -1.335 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.260 -13.341 0.064 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.204 -11.593 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.696 -12.181 -1.214 1.00 0.00 H new ATOM 553 N LYS A 40 3.718 -11.497 -2.834 1.00 0.00 N ATOM 554 CA LYS A 40 5.131 -11.542 -3.196 1.00 0.00 C ATOM 555 C LYS A 40 5.641 -10.160 -3.594 1.00 0.00 C ATOM 556 O LYS A 40 6.784 -9.805 -3.310 1.00 0.00 O ATOM 557 CB LYS A 40 5.351 -12.528 -4.345 1.00 0.00 C ATOM 558 CG LYS A 40 6.789 -13.006 -4.467 1.00 0.00 C ATOM 559 CD LYS A 40 6.945 -14.014 -5.595 1.00 0.00 C ATOM 560 CE LYS A 40 8.250 -13.807 -6.348 1.00 0.00 C ATOM 561 NZ LYS A 40 8.275 -12.506 -7.071 1.00 0.00 N ATOM 0 H LYS A 40 3.092 -11.906 -3.527 1.00 0.00 H new ATOM 0 HA LYS A 40 5.691 -11.876 -2.323 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.701 -13.391 -4.202 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.053 -12.055 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.444 -12.153 -4.646 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.105 -13.458 -3.527 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.914 -15.025 -5.188 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.106 -13.922 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.084 -13.849 -5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.391 -14.620 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.933 -12.568 -7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.321 -12.285 -7.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.589 -11.755 -6.423 1.00 0.00 H new ATOM 575 N GLU A 41 4.786 -9.386 -4.253 1.00 0.00 N ATOM 576 CA GLU A 41 5.149 -8.042 -4.691 1.00 0.00 C ATOM 577 C GLU A 41 5.449 -7.134 -3.501 1.00 0.00 C ATOM 578 O GLU A 41 6.168 -6.143 -3.630 1.00 0.00 O ATOM 579 CB GLU A 41 4.026 -7.437 -5.534 1.00 0.00 C ATOM 580 CG GLU A 41 3.878 -8.081 -6.902 1.00 0.00 C ATOM 581 CD GLU A 41 3.601 -7.070 -7.997 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.134 -5.958 -7.675 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.851 -7.391 -9.178 1.00 0.00 O ATOM 0 H GLU A 41 3.836 -9.666 -4.496 1.00 0.00 H new ATOM 0 HA GLU A 41 6.051 -8.122 -5.297 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.085 -7.533 -4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.213 -6.371 -5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.789 -8.630 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.067 -8.808 -6.871 1.00 0.00 H new ATOM 590 N LEU A 42 4.889 -7.472 -2.343 1.00 0.00 N ATOM 591 CA LEU A 42 5.094 -6.677 -1.138 1.00 0.00 C ATOM 592 C LEU A 42 6.448 -6.975 -0.500 1.00 0.00 C ATOM 593 O LEU A 42 7.263 -6.075 -0.303 1.00 0.00 O ATOM 594 CB LEU A 42 3.969 -6.933 -0.132 1.00 0.00 C ATOM 595 CG LEU A 42 3.116 -5.710 0.206 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.982 -4.590 0.762 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.354 -5.237 -1.022 1.00 0.00 C ATOM 0 H LEU A 42 4.292 -8.289 -2.214 1.00 0.00 H new ATOM 0 HA LEU A 42 5.080 -5.626 -1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.319 -7.713 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.406 -7.319 0.789 1.00 0.00 H new ATOM 0 HG LEU A 42 2.394 -5.995 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.357 -3.729 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.482 -4.932 1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.729 -4.305 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.752 -4.366 -0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.060 -4.970 -1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.703 -6.036 -1.376 1.00 0.00 H new ATOM 609 N GLY A 43 6.680 -8.244 -0.176 1.00 0.00 N ATOM 610 CA GLY A 43 7.935 -8.637 0.442 1.00 0.00 C ATOM 611 C GLY A 43 9.147 -8.090 -0.288 1.00 0.00 C ATOM 612 O GLY A 43 10.198 -7.878 0.314 1.00 0.00 O ATOM 0 H GLY A 43 6.021 -9.007 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.951 -8.289 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.995 -9.725 0.472 1.00 0.00 H new ATOM 616 N THR A 44 9.001 -7.861 -1.587 1.00 0.00 N ATOM 617 CA THR A 44 10.092 -7.338 -2.403 1.00 0.00 C ATOM 618 C THR A 44 10.580 -5.990 -1.873 1.00 0.00 C ATOM 619 O THR A 44 11.622 -5.901 -1.223 1.00 0.00 O ATOM 620 CB THR A 44 9.635 -7.203 -3.864 1.00 0.00 C ATOM 621 OG1 THR A 44 9.795 -8.431 -4.552 1.00 0.00 O ATOM 622 CG2 THR A 44 10.381 -6.140 -4.650 1.00 0.00 C ATOM 0 H THR A 44 8.136 -8.029 -2.100 1.00 0.00 H new ATOM 0 HA THR A 44 10.925 -8.040 -2.352 1.00 0.00 H new ATOM 0 HB THR A 44 8.588 -6.908 -3.803 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.498 -8.327 -5.480 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.000 -6.108 -5.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.235 -5.169 -4.177 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.444 -6.379 -4.667 1.00 0.00 H new ATOM 630 N VAL A 45 9.825 -4.943 -2.178 1.00 0.00 N ATOM 631 CA VAL A 45 10.167 -3.589 -1.766 1.00 0.00 C ATOM 632 C VAL A 45 10.216 -3.449 -0.246 1.00 0.00 C ATOM 633 O VAL A 45 10.942 -2.609 0.283 1.00 0.00 O ATOM 634 CB VAL A 45 9.152 -2.580 -2.333 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.744 -2.942 -1.885 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.509 -1.158 -1.925 1.00 0.00 C ATOM 0 H VAL A 45 8.961 -5.008 -2.716 1.00 0.00 H new ATOM 0 HA VAL A 45 11.160 -3.378 -2.162 1.00 0.00 H new ATOM 0 HB VAL A 45 9.189 -2.628 -3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.036 -2.221 -2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.493 -3.940 -2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.693 -2.925 -0.796 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.776 -0.466 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.508 -1.080 -0.838 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.499 -0.908 -2.306 1.00 0.00 H new ATOM 646 N MET A 46 9.434 -4.260 0.452 1.00 0.00 N ATOM 647 CA MET A 46 9.390 -4.201 1.909 1.00 0.00 C ATOM 648 C MET A 46 10.640 -4.815 2.535 1.00 0.00 C ATOM 649 O MET A 46 11.089 -4.372 3.592 1.00 0.00 O ATOM 650 CB MET A 46 8.135 -4.903 2.429 1.00 0.00 C ATOM 651 CG MET A 46 6.902 -4.013 2.416 1.00 0.00 C ATOM 652 SD MET A 46 5.839 -4.266 3.849 1.00 0.00 S ATOM 653 CE MET A 46 5.812 -2.618 4.549 1.00 0.00 C ATOM 0 H MET A 46 8.824 -4.964 0.037 1.00 0.00 H new ATOM 0 HA MET A 46 9.357 -3.151 2.199 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.943 -5.787 1.822 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.315 -5.248 3.447 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.214 -2.969 2.381 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.331 -4.205 1.508 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.972 -2.677 5.626 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.602 -2.018 4.097 1.00 0.00 H new ATOM 0 HE3 MET A 46 4.846 -2.154 4.351 1.00 0.00 H new ATOM 663 N ARG A 47 11.198 -5.831 1.885 1.00 0.00 N ATOM 664 CA ARG A 47 12.397 -6.493 2.396 1.00 0.00 C ATOM 665 C ARG A 47 13.662 -5.734 2.005 1.00 0.00 C ATOM 666 O ARG A 47 14.671 -5.793 2.708 1.00 0.00 O ATOM 667 CB ARG A 47 12.477 -7.931 1.878 1.00 0.00 C ATOM 668 CG ARG A 47 11.462 -8.866 2.517 1.00 0.00 C ATOM 669 CD ARG A 47 11.420 -10.209 1.807 1.00 0.00 C ATOM 670 NE ARG A 47 10.234 -10.981 2.170 1.00 0.00 N ATOM 671 CZ ARG A 47 9.787 -12.024 1.474 1.00 0.00 C ATOM 672 NH1 ARG A 47 10.424 -12.422 0.378 1.00 0.00 N ATOM 673 NH2 ARG A 47 8.702 -12.671 1.874 1.00 0.00 N ATOM 0 H ARG A 47 10.843 -6.213 1.008 1.00 0.00 H new ATOM 0 HA ARG A 47 12.327 -6.505 3.484 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.327 -7.928 0.798 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.480 -8.318 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.714 -9.016 3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.474 -8.407 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.434 -10.050 0.729 1.00 0.00 H new ATOM 0 HD3 ARG A 47 12.315 -10.779 2.056 1.00 0.00 H new ATOM 0 HE ARG A 47 9.718 -10.705 3.006 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.260 -11.928 0.066 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.077 -13.222 -0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.210 -12.370 2.715 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.359 -13.470 1.341 1.00 0.00 H new ATOM 687 N MET A 48 13.606 -5.025 0.883 1.00 0.00 N ATOM 688 CA MET A 48 14.755 -4.263 0.407 1.00 0.00 C ATOM 689 C MET A 48 14.712 -2.818 0.901 1.00 0.00 C ATOM 690 O MET A 48 15.492 -1.979 0.451 1.00 0.00 O ATOM 691 CB MET A 48 14.813 -4.288 -1.121 1.00 0.00 C ATOM 692 CG MET A 48 13.616 -3.626 -1.785 1.00 0.00 C ATOM 693 SD MET A 48 14.094 -2.421 -3.039 1.00 0.00 S ATOM 694 CE MET A 48 12.678 -1.324 -3.004 1.00 0.00 C ATOM 0 H MET A 48 12.780 -4.962 0.288 1.00 0.00 H new ATOM 0 HA MET A 48 15.652 -4.733 0.810 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.724 -3.788 -1.450 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.879 -5.323 -1.457 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.990 -4.392 -2.243 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.011 -3.132 -1.025 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.888 -0.440 -3.606 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.808 -1.840 -3.409 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.476 -1.024 -1.976 1.00 0.00 H new ATOM 704 N LEU A 49 13.800 -2.529 1.825 1.00 0.00 N ATOM 705 CA LEU A 49 13.668 -1.182 2.366 1.00 0.00 C ATOM 706 C LEU A 49 13.916 -1.167 3.872 1.00 0.00 C ATOM 707 O LEU A 49 14.551 -0.252 4.395 1.00 0.00 O ATOM 708 CB LEU A 49 12.279 -0.622 2.058 1.00 0.00 C ATOM 709 CG LEU A 49 12.112 -0.050 0.650 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.730 0.564 0.484 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.198 0.979 0.359 1.00 0.00 C ATOM 0 H LEU A 49 13.144 -3.207 2.213 1.00 0.00 H new ATOM 0 HA LEU A 49 14.420 -0.553 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.544 -1.414 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.050 0.160 2.782 1.00 0.00 H new ATOM 0 HG LEU A 49 12.212 -0.864 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.629 0.966 -0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.970 -0.200 0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.599 1.367 1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 49 13.063 1.375 -0.647 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.131 1.793 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.177 0.506 0.435 1.00 0.00 H new ATOM 723 N GLY A 50 13.413 -2.185 4.564 1.00 0.00 N ATOM 724 CA GLY A 50 13.595 -2.261 6.002 1.00 0.00 C ATOM 725 C GLY A 50 12.635 -3.231 6.661 1.00 0.00 C ATOM 726 O GLY A 50 13.009 -3.955 7.583 1.00 0.00 O ATOM 0 H GLY A 50 12.884 -2.956 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.619 -2.565 6.219 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.458 -1.270 6.435 1.00 0.00 H new ATOM 730 N GLN A 51 11.393 -3.246 6.187 1.00 0.00 N ATOM 731 CA GLN A 51 10.378 -4.136 6.739 1.00 0.00 C ATOM 732 C GLN A 51 10.702 -5.591 6.421 1.00 0.00 C ATOM 733 O GLN A 51 11.425 -5.882 5.469 1.00 0.00 O ATOM 734 CB GLN A 51 8.998 -3.775 6.185 1.00 0.00 C ATOM 735 CG GLN A 51 8.681 -2.291 6.264 1.00 0.00 C ATOM 736 CD GLN A 51 7.762 -1.952 7.421 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.392 -2.822 8.211 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.386 -0.683 7.527 1.00 0.00 N ATOM 0 H GLN A 51 11.066 -2.653 5.424 1.00 0.00 H new ATOM 0 HA GLN A 51 10.370 -4.012 7.822 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.938 -4.096 5.145 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.238 -4.330 6.735 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.610 -1.730 6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.217 -1.972 5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.716 0.005 6.850 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.767 -0.396 8.285 1.00 0.00 H new ATOM 747 N ASN A 52 10.167 -6.503 7.224 1.00 0.00 N ATOM 748 CA ASN A 52 10.408 -7.927 7.019 1.00 0.00 C ATOM 749 C ASN A 52 9.168 -8.753 7.362 1.00 0.00 C ATOM 750 O ASN A 52 9.256 -9.744 8.089 1.00 0.00 O ATOM 751 CB ASN A 52 11.594 -8.385 7.866 1.00 0.00 C ATOM 752 CG ASN A 52 12.516 -9.322 7.111 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.091 -10.027 6.196 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.789 -9.335 7.492 1.00 0.00 N ATOM 0 H ASN A 52 9.567 -6.284 8.019 1.00 0.00 H new ATOM 0 HA ASN A 52 10.637 -8.083 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.158 -7.513 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.226 -8.886 8.761 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.456 -9.946 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.099 -8.734 8.256 1.00 0.00 H new ATOM 761 N PRO A 53 7.993 -8.361 6.841 1.00 0.00 N ATOM 762 CA PRO A 53 6.742 -9.079 7.097 1.00 0.00 C ATOM 763 C PRO A 53 6.689 -10.421 6.375 1.00 0.00 C ATOM 764 O PRO A 53 6.710 -10.477 5.145 1.00 0.00 O ATOM 765 CB PRO A 53 5.673 -8.134 6.548 1.00 0.00 C ATOM 766 CG PRO A 53 6.371 -7.347 5.495 1.00 0.00 C ATOM 767 CD PRO A 53 7.793 -7.194 5.960 1.00 0.00 C ATOM 0 HA PRO A 53 6.616 -9.318 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.829 -8.687 6.135 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.277 -7.486 7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.329 -7.859 4.534 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.899 -6.374 5.359 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.492 -7.198 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.942 -6.256 6.495 1.00 0.00 H new ATOM 775 N THR A 54 6.622 -11.502 7.147 1.00 0.00 N ATOM 776 CA THR A 54 6.569 -12.846 6.580 1.00 0.00 C ATOM 777 C THR A 54 5.365 -13.003 5.655 1.00 0.00 C ATOM 778 O THR A 54 4.585 -12.069 5.471 1.00 0.00 O ATOM 779 CB THR A 54 6.507 -13.889 7.696 1.00 0.00 C ATOM 780 OG1 THR A 54 5.404 -13.647 8.550 1.00 0.00 O ATOM 781 CG2 THR A 54 7.753 -13.922 8.554 1.00 0.00 C ATOM 0 H THR A 54 6.603 -11.474 8.166 1.00 0.00 H new ATOM 0 HA THR A 54 7.475 -13.001 5.994 1.00 0.00 H new ATOM 0 HB THR A 54 6.409 -14.848 7.188 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.382 -14.326 9.256 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.643 -14.683 9.326 1.00 0.00 H new ATOM 0 HG22 THR A 54 8.617 -14.158 7.932 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.898 -12.949 9.022 1.00 0.00 H new ATOM 789 N LYS A 55 5.223 -14.190 5.073 1.00 0.00 N ATOM 790 CA LYS A 55 4.116 -14.472 4.167 1.00 0.00 C ATOM 791 C LYS A 55 2.775 -14.268 4.863 1.00 0.00 C ATOM 792 O LYS A 55 1.886 -13.597 4.339 1.00 0.00 O ATOM 793 CB LYS A 55 4.216 -15.903 3.636 1.00 0.00 C ATOM 794 CG LYS A 55 3.631 -16.076 2.242 1.00 0.00 C ATOM 795 CD LYS A 55 2.581 -17.176 2.207 1.00 0.00 C ATOM 796 CE LYS A 55 1.561 -16.939 1.105 1.00 0.00 C ATOM 797 NZ LYS A 55 1.753 -17.872 -0.040 1.00 0.00 N ATOM 0 H LYS A 55 5.862 -14.973 5.213 1.00 0.00 H new ATOM 0 HA LYS A 55 4.179 -13.776 3.331 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.263 -16.204 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.701 -16.574 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.185 -15.137 1.915 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.429 -16.312 1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.067 -18.139 2.053 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.073 -17.226 3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.556 -17.061 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.640 -15.911 0.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.038 -17.678 -0.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.703 -17.738 -0.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.652 -18.853 0.291 1.00 0.00 H new ATOM 811 N CYS A 56 2.636 -14.851 6.050 1.00 0.00 N ATOM 812 CA CYS A 56 1.403 -14.733 6.819 1.00 0.00 C ATOM 813 C CYS A 56 1.145 -13.282 7.212 1.00 0.00 C ATOM 814 O CYS A 56 -0.004 -12.856 7.336 1.00 0.00 O ATOM 815 CB CYS A 56 1.472 -15.607 8.072 1.00 0.00 C ATOM 816 SG CYS A 56 -0.136 -16.215 8.635 1.00 0.00 S ATOM 0 H CYS A 56 3.362 -15.409 6.499 1.00 0.00 H new ATOM 0 HA CYS A 56 0.579 -15.074 6.192 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.122 -16.459 7.873 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.935 -15.035 8.876 1.00 0.00 H new ATOM 0 HG CYS A 56 0.024 -16.946 9.698 1.00 0.00 H new ATOM 822 N GLU A 57 2.221 -12.526 7.406 1.00 0.00 N ATOM 823 CA GLU A 57 2.111 -11.122 7.783 1.00 0.00 C ATOM 824 C GLU A 57 1.358 -10.331 6.718 1.00 0.00 C ATOM 825 O GLU A 57 0.273 -9.808 6.970 1.00 0.00 O ATOM 826 CB GLU A 57 3.503 -10.521 7.996 1.00 0.00 C ATOM 827 CG GLU A 57 3.677 -9.859 9.353 1.00 0.00 C ATOM 828 CD GLU A 57 3.967 -8.374 9.247 1.00 0.00 C ATOM 829 OE1 GLU A 57 3.115 -7.641 8.701 1.00 0.00 O ATOM 830 OE2 GLU A 57 5.044 -7.945 9.710 1.00 0.00 O ATOM 0 H GLU A 57 3.179 -12.863 7.308 1.00 0.00 H new ATOM 0 HA GLU A 57 1.551 -11.063 8.716 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.250 -11.307 7.886 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.696 -9.786 7.215 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.773 -10.007 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.491 -10.347 9.889 1.00 0.00 H new ATOM 837 N LEU A 58 1.941 -10.251 5.526 1.00 0.00 N ATOM 838 CA LEU A 58 1.325 -9.527 4.422 1.00 0.00 C ATOM 839 C LEU A 58 -0.003 -10.168 4.032 1.00 0.00 C ATOM 840 O LEU A 58 -0.923 -9.488 3.579 1.00 0.00 O ATOM 841 CB LEU A 58 2.268 -9.492 3.216 1.00 0.00 C ATOM 842 CG LEU A 58 3.699 -9.047 3.527 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.682 -9.701 2.570 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.814 -7.531 3.455 1.00 0.00 C ATOM 0 H LEU A 58 2.839 -10.679 5.301 1.00 0.00 H new ATOM 0 HA LEU A 58 1.133 -8.505 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.301 -10.486 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.850 -8.821 2.466 1.00 0.00 H new ATOM 0 HG LEU A 58 3.944 -9.364 4.541 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.694 -9.372 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.620 -10.785 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.438 -9.416 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.838 -7.233 3.679 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.548 -7.193 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.138 -7.080 4.181 1.00 0.00 H new ATOM 856 N ASP A 59 -0.098 -11.482 4.217 1.00 0.00 N ATOM 857 CA ASP A 59 -1.316 -12.214 3.893 1.00 0.00 C ATOM 858 C ASP A 59 -2.466 -11.768 4.783 1.00 0.00 C ATOM 859 O ASP A 59 -3.630 -11.831 4.387 1.00 0.00 O ATOM 860 CB ASP A 59 -1.091 -13.720 4.044 1.00 0.00 C ATOM 861 CG ASP A 59 -0.621 -14.366 2.755 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.201 -14.060 1.693 1.00 0.00 O ATOM 863 OD2 ASP A 59 0.326 -15.178 2.809 1.00 0.00 O ATOM 0 H ASP A 59 0.655 -12.061 4.590 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.575 -11.998 2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.353 -13.898 4.826 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.019 -14.193 4.367 1.00 0.00 H new ATOM 868 N ALA A 60 -2.135 -11.310 5.983 1.00 0.00 N ATOM 869 CA ALA A 60 -3.149 -10.849 6.915 1.00 0.00 C ATOM 870 C ALA A 60 -3.687 -9.487 6.492 1.00 0.00 C ATOM 871 O ALA A 60 -4.851 -9.164 6.734 1.00 0.00 O ATOM 872 CB ALA A 60 -2.588 -10.788 8.328 1.00 0.00 C ATOM 0 H ALA A 60 -1.178 -11.249 6.330 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.974 -11.561 6.904 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.362 -10.441 9.012 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.255 -11.781 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.744 -10.099 8.355 1.00 0.00 H new ATOM 878 N ILE A 61 -2.833 -8.696 5.849 1.00 0.00 N ATOM 879 CA ILE A 61 -3.216 -7.378 5.379 1.00 0.00 C ATOM 880 C ILE A 61 -3.996 -7.487 4.071 1.00 0.00 C ATOM 881 O ILE A 61 -5.158 -7.090 3.996 1.00 0.00 O ATOM 882 CB ILE A 61 -1.973 -6.485 5.178 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.401 -6.060 6.531 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.309 -5.264 4.338 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.374 -7.025 7.083 1.00 0.00 C ATOM 0 H ILE A 61 -1.867 -8.951 5.643 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.853 -6.920 6.136 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.220 -7.065 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.945 -5.075 6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.217 -5.962 7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.416 -4.652 4.212 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.671 -5.583 3.361 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.081 -4.680 4.838 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.012 -6.660 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.831 -8.006 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.461 -7.105 6.387 1.00 0.00 H new ATOM 897 N ILE A 62 -3.349 -8.039 3.045 1.00 0.00 N ATOM 898 CA ILE A 62 -3.977 -8.212 1.736 1.00 0.00 C ATOM 899 C ILE A 62 -5.396 -8.760 1.875 1.00 0.00 C ATOM 900 O ILE A 62 -6.324 -8.278 1.226 1.00 0.00 O ATOM 901 CB ILE A 62 -3.152 -9.161 0.845 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.757 -8.576 0.609 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.864 -9.412 -0.481 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.917 -9.385 -0.353 1.00 0.00 C ATOM 0 H ILE A 62 -2.387 -8.375 3.096 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.018 -7.229 1.267 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.048 -10.118 1.356 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.858 -7.561 0.225 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.235 -8.506 1.563 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.264 -10.084 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.837 -9.865 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.000 -8.466 -1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.058 -8.911 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.785 -10.394 0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.417 -9.434 -1.320 1.00 0.00 H new ATOM 916 N CYS A 63 -5.556 -9.763 2.733 1.00 0.00 N ATOM 917 CA CYS A 63 -6.863 -10.368 2.963 1.00 0.00 C ATOM 918 C CYS A 63 -7.861 -9.316 3.433 1.00 0.00 C ATOM 919 O CYS A 63 -9.029 -9.335 3.045 1.00 0.00 O ATOM 920 CB CYS A 63 -6.754 -11.491 3.996 1.00 0.00 C ATOM 921 SG CYS A 63 -8.057 -12.738 3.870 1.00 0.00 S ATOM 0 H CYS A 63 -4.798 -10.173 3.279 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.219 -10.790 2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.786 -11.980 3.885 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.778 -11.055 4.995 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.878 -13.646 4.783 1.00 0.00 H new ATOM 927 N GLU A 64 -7.386 -8.391 4.261 1.00 0.00 N ATOM 928 CA GLU A 64 -8.231 -7.321 4.775 1.00 0.00 C ATOM 929 C GLU A 64 -8.410 -6.239 3.717 1.00 0.00 C ATOM 930 O GLU A 64 -9.465 -5.610 3.626 1.00 0.00 O ATOM 931 CB GLU A 64 -7.619 -6.719 6.042 1.00 0.00 C ATOM 932 CG GLU A 64 -8.636 -6.036 6.942 1.00 0.00 C ATOM 933 CD GLU A 64 -9.462 -7.023 7.743 1.00 0.00 C ATOM 934 OE1 GLU A 64 -8.883 -8.001 8.259 1.00 0.00 O ATOM 935 OE2 GLU A 64 -10.689 -6.818 7.852 1.00 0.00 O ATOM 0 H GLU A 64 -6.421 -8.362 4.590 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.207 -7.739 5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.120 -7.508 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.854 -5.996 5.758 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.117 -5.364 7.625 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.300 -5.422 6.333 1.00 0.00 H new ATOM 942 N VAL A 65 -7.372 -6.035 2.911 1.00 0.00 N ATOM 943 CA VAL A 65 -7.410 -5.040 1.848 1.00 0.00 C ATOM 944 C VAL A 65 -8.393 -5.455 0.759 1.00 0.00 C ATOM 945 O VAL A 65 -9.302 -4.704 0.405 1.00 0.00 O ATOM 946 CB VAL A 65 -6.018 -4.837 1.215 1.00 0.00 C ATOM 947 CG1 VAL A 65 -6.080 -3.806 0.096 1.00 0.00 C ATOM 948 CG2 VAL A 65 -4.999 -4.429 2.269 1.00 0.00 C ATOM 0 H VAL A 65 -6.493 -6.548 2.976 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.733 -4.101 2.298 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.699 -5.787 0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.088 -3.678 -0.336 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.771 -4.147 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.426 -2.854 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.025 -4.292 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.312 -3.495 2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.929 -5.208 3.028 1.00 0.00 H new ATOM 958 N ASP A 66 -8.199 -6.659 0.232 1.00 0.00 N ATOM 959 CA ASP A 66 -9.060 -7.184 -0.819 1.00 0.00 C ATOM 960 C ASP A 66 -10.452 -7.496 -0.283 1.00 0.00 C ATOM 961 O ASP A 66 -10.627 -8.408 0.526 1.00 0.00 O ATOM 962 CB ASP A 66 -8.442 -8.445 -1.426 1.00 0.00 C ATOM 963 CG ASP A 66 -7.347 -8.125 -2.425 1.00 0.00 C ATOM 964 OD1 ASP A 66 -6.206 -7.863 -1.993 1.00 0.00 O ATOM 965 OD2 ASP A 66 -7.633 -8.138 -3.642 1.00 0.00 O ATOM 0 H ASP A 66 -7.451 -7.291 0.517 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.153 -6.421 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.034 -9.067 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.221 -9.028 -1.918 1.00 0.00 H new ATOM 970 N GLU A 67 -11.440 -6.738 -0.743 1.00 0.00 N ATOM 971 CA GLU A 67 -12.819 -6.936 -0.314 1.00 0.00 C ATOM 972 C GLU A 67 -13.597 -7.744 -1.347 1.00 0.00 C ATOM 973 O GLU A 67 -14.812 -7.600 -1.477 1.00 0.00 O ATOM 974 CB GLU A 67 -13.503 -5.587 -0.082 1.00 0.00 C ATOM 975 CG GLU A 67 -12.957 -4.826 1.114 1.00 0.00 C ATOM 976 CD GLU A 67 -13.323 -5.477 2.434 1.00 0.00 C ATOM 977 OE1 GLU A 67 -14.444 -6.016 2.539 1.00 0.00 O ATOM 978 OE2 GLU A 67 -12.489 -5.445 3.363 1.00 0.00 O ATOM 0 H GLU A 67 -11.312 -5.980 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.806 -7.493 0.623 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.389 -4.973 -0.975 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.571 -5.750 0.059 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.872 -4.760 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.341 -3.806 1.097 1.00 0.00 H new ATOM 985 N ASP A 68 -12.886 -8.594 -2.083 1.00 0.00 N ATOM 986 CA ASP A 68 -13.509 -9.426 -3.106 1.00 0.00 C ATOM 987 C ASP A 68 -12.770 -10.752 -3.264 1.00 0.00 C ATOM 988 O ASP A 68 -12.865 -11.405 -4.303 1.00 0.00 O ATOM 989 CB ASP A 68 -13.536 -8.683 -4.445 1.00 0.00 C ATOM 990 CG ASP A 68 -12.145 -8.360 -4.955 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.406 -7.639 -4.251 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.794 -8.827 -6.059 1.00 0.00 O ATOM 0 H ASP A 68 -11.879 -8.724 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.530 -9.639 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.059 -9.290 -5.184 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.103 -7.759 -4.333 1.00 0.00 H new ATOM 997 N GLY A 69 -12.034 -11.148 -2.227 1.00 0.00 N ATOM 998 CA GLY A 69 -11.293 -12.396 -2.275 1.00 0.00 C ATOM 999 C GLY A 69 -10.407 -12.504 -3.502 1.00 0.00 C ATOM 1000 O GLY A 69 -10.417 -13.521 -4.195 1.00 0.00 O ATOM 0 H GLY A 69 -11.938 -10.626 -1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.678 -12.483 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.994 -13.231 -2.263 1.00 0.00 H new ATOM 1004 N SER A 70 -9.641 -11.452 -3.772 1.00 0.00 N ATOM 1005 CA SER A 70 -8.749 -11.433 -4.925 1.00 0.00 C ATOM 1006 C SER A 70 -7.286 -11.453 -4.490 1.00 0.00 C ATOM 1007 O SER A 70 -6.418 -11.933 -5.219 1.00 0.00 O ATOM 1008 CB SER A 70 -9.017 -10.194 -5.782 1.00 0.00 C ATOM 1009 OG SER A 70 -9.481 -9.115 -4.988 1.00 0.00 O ATOM 0 H SER A 70 -9.620 -10.602 -3.208 1.00 0.00 H new ATOM 0 HA SER A 70 -8.945 -12.329 -5.515 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.104 -9.902 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.756 -10.430 -6.548 1.00 0.00 H new ATOM 0 HG SER A 70 -8.956 -9.068 -4.162 1.00 0.00 H new ATOM 1015 N GLY A 71 -7.018 -10.926 -3.299 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.658 -10.892 -2.793 1.00 0.00 C ATOM 1017 C GLY A 71 -4.760 -9.971 -3.597 1.00 0.00 C ATOM 1018 O GLY A 71 -3.537 -10.024 -3.472 1.00 0.00 O ATOM 0 H GLY A 71 -7.718 -10.522 -2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.669 -10.566 -1.753 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.244 -11.900 -2.806 1.00 0.00 H new ATOM 1022 N THR A 72 -5.365 -9.120 -4.422 1.00 0.00 N ATOM 1023 CA THR A 72 -4.608 -8.185 -5.244 1.00 0.00 C ATOM 1024 C THR A 72 -4.922 -6.743 -4.856 1.00 0.00 C ATOM 1025 O THR A 72 -6.054 -6.419 -4.496 1.00 0.00 O ATOM 1026 CB THR A 72 -4.919 -8.406 -6.725 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.249 -8.018 -7.022 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.752 -9.844 -7.163 1.00 0.00 C ATOM 0 H THR A 72 -6.377 -9.060 -4.538 1.00 0.00 H new ATOM 0 HA THR A 72 -3.547 -8.366 -5.073 1.00 0.00 H new ATOM 0 HB THR A 72 -4.199 -7.792 -7.266 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.428 -8.165 -7.974 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.988 -9.931 -8.224 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.722 -10.159 -6.993 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.425 -10.480 -6.588 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.911 -5.885 -4.930 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.075 -4.479 -4.583 1.00 0.00 C ATOM 1038 C ILE A 73 -4.152 -3.606 -5.833 1.00 0.00 C ATOM 1039 O ILE A 73 -3.152 -3.397 -6.519 1.00 0.00 O ATOM 1040 CB ILE A 73 -2.914 -3.989 -3.697 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.730 -4.922 -2.497 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.164 -2.562 -3.233 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.520 -4.587 -1.653 1.00 0.00 C ATOM 0 H ILE A 73 -2.969 -6.139 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.011 -4.393 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.998 -4.001 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.622 -4.878 -1.872 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.641 -5.948 -2.855 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.334 -2.232 -2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.248 -1.907 -4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.089 -2.523 -2.658 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.451 -5.288 -0.821 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.620 -4.659 -2.263 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.616 -3.573 -1.266 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.347 -3.097 -6.120 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.557 -2.245 -7.286 1.00 0.00 C ATOM 1057 C ASP A 74 -4.777 -0.939 -7.157 1.00 0.00 C ATOM 1058 O ASP A 74 -3.909 -0.806 -6.293 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.047 -1.949 -7.463 1.00 0.00 C ATOM 1060 CG ASP A 74 -7.472 -1.976 -8.919 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.707 -3.082 -9.449 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -7.568 -0.890 -9.529 1.00 0.00 O ATOM 0 H ASP A 74 -6.184 -3.260 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.192 -2.777 -8.164 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.629 -2.681 -6.904 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.273 -0.971 -7.039 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.090 0.021 -8.022 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.418 1.316 -8.007 1.00 0.00 C ATOM 1069 C PHE A 75 -4.601 2.009 -6.660 1.00 0.00 C ATOM 1070 O PHE A 75 -3.712 1.977 -5.809 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.951 2.204 -9.133 1.00 0.00 C ATOM 1072 CG PHE A 75 -4.326 1.919 -10.470 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -4.295 0.629 -10.974 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -3.771 2.941 -11.222 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -3.721 0.364 -12.203 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -3.196 2.683 -12.452 1.00 0.00 C ATOM 1077 CZ PHE A 75 -3.171 1.392 -12.942 1.00 0.00 C ATOM 0 H PHE A 75 -5.805 -0.074 -8.743 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.353 1.147 -8.164 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.030 2.071 -9.210 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.776 3.248 -8.875 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.724 -0.179 -10.400 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.788 3.952 -10.843 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.703 -0.646 -12.585 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.767 3.489 -13.029 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.722 1.187 -13.902 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.759 2.637 -6.470 1.00 0.00 N ATOM 1088 CA GLU A 76 -6.052 3.335 -5.223 1.00 0.00 C ATOM 1089 C GLU A 76 -6.143 2.356 -4.056 1.00 0.00 C ATOM 1090 O GLU A 76 -5.996 2.744 -2.898 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.358 4.122 -5.343 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.250 5.345 -6.239 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.576 5.038 -7.687 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -6.678 4.554 -8.409 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -8.730 5.280 -8.101 1.00 0.00 O ATOM 0 H GLU A 76 -6.507 2.676 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.235 4.030 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.135 3.464 -5.732 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.676 4.437 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.926 6.119 -5.875 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.240 5.749 -6.176 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.388 1.083 -4.367 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.496 0.054 -3.339 1.00 0.00 C ATOM 1104 C GLU A 77 -5.276 0.071 -2.422 1.00 0.00 C ATOM 1105 O GLU A 77 -5.360 -0.319 -1.258 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.656 -1.327 -3.981 1.00 0.00 C ATOM 1107 CG GLU A 77 -7.978 -2.000 -3.649 1.00 0.00 C ATOM 1108 CD GLU A 77 -7.942 -3.499 -3.873 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.967 -3.925 -5.047 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -7.890 -4.249 -2.875 1.00 0.00 O ATOM 0 H GLU A 77 -6.515 0.743 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.380 0.267 -2.738 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.569 -1.228 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.838 -1.969 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.233 -1.798 -2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.767 -1.564 -4.261 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.145 0.533 -2.949 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.914 0.607 -2.170 1.00 0.00 C ATOM 1119 C PHE A 78 -3.011 1.694 -1.100 1.00 0.00 C ATOM 1120 O PHE A 78 -2.199 1.739 -0.175 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.717 0.882 -3.078 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.396 0.704 -2.386 1.00 0.00 C ATOM 1123 CD1 PHE A 78 0.150 1.730 -1.633 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.297 -0.492 -2.484 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.362 1.569 -0.991 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.511 -0.660 -1.845 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.044 0.373 -1.098 1.00 0.00 C ATOM 0 H PHE A 78 -4.056 0.861 -3.911 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.772 -0.356 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.762 0.215 -3.939 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.785 1.901 -3.460 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.379 2.668 -1.547 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.116 -1.302 -3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.776 2.377 -0.406 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.042 -1.597 -1.929 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.993 0.245 -0.598 1.00 0.00 H new ATOM 1137 N LEU A 79 -4.009 2.565 -1.227 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.208 3.643 -0.267 1.00 0.00 C ATOM 1139 C LEU A 79 -5.219 3.238 0.801 1.00 0.00 C ATOM 1140 O LEU A 79 -5.122 3.660 1.953 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.684 4.910 -0.981 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.646 5.565 -1.897 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.066 5.448 -3.355 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.441 7.024 -1.516 1.00 0.00 C ATOM 0 H LEU A 79 -4.691 2.544 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.253 3.845 0.218 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.566 4.666 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.995 5.637 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.699 5.040 -1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.315 5.920 -3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.159 4.396 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.026 5.945 -3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.700 7.472 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.385 7.561 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.091 7.085 -0.486 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.190 2.415 0.412 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.216 1.954 1.338 1.00 0.00 C ATOM 1158 C VAL A 80 -6.691 0.826 2.221 1.00 0.00 C ATOM 1159 O VAL A 80 -7.118 0.668 3.365 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.482 1.483 0.592 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.266 0.125 -0.063 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.672 1.446 1.538 1.00 0.00 C ATOM 0 H VAL A 80 -6.286 2.055 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.482 2.803 1.968 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.693 2.200 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.176 -0.178 -0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.447 0.193 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.020 -0.612 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.557 1.112 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.465 0.756 2.356 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.848 2.444 1.940 1.00 0.00 H new ATOM 1172 N MET A 81 -5.749 0.055 1.686 1.00 0.00 N ATOM 1173 CA MET A 81 -5.147 -1.049 2.424 1.00 0.00 C ATOM 1174 C MET A 81 -4.623 -0.558 3.761 1.00 0.00 C ATOM 1175 O MET A 81 -4.760 -1.220 4.788 1.00 0.00 O ATOM 1176 CB MET A 81 -3.989 -1.639 1.622 1.00 0.00 C ATOM 1177 CG MET A 81 -3.142 -0.590 0.921 1.00 0.00 C ATOM 1178 SD MET A 81 -1.435 -1.114 0.704 1.00 0.00 S ATOM 1179 CE MET A 81 -0.962 -1.322 2.413 1.00 0.00 C ATOM 0 H MET A 81 -5.385 0.176 0.741 1.00 0.00 H new ATOM 0 HA MET A 81 -5.907 -1.813 2.589 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.354 -2.221 2.290 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.387 -2.330 0.879 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.577 -0.368 -0.054 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.164 0.335 1.498 1.00 0.00 H new ATOM 0 HE1 MET A 81 -0.065 -0.738 2.616 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.771 -0.981 3.059 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.761 -2.375 2.609 1.00 0.00 H new ATOM 1189 N MET A 82 -4.019 0.615 3.716 1.00 0.00 N ATOM 1190 CA MET A 82 -3.451 1.247 4.889 1.00 0.00 C ATOM 1191 C MET A 82 -4.544 1.892 5.734 1.00 0.00 C ATOM 1192 O MET A 82 -4.455 1.934 6.961 1.00 0.00 O ATOM 1193 CB MET A 82 -2.443 2.293 4.436 1.00 0.00 C ATOM 1194 CG MET A 82 -1.060 1.726 4.180 1.00 0.00 C ATOM 1195 SD MET A 82 0.054 2.933 3.447 1.00 0.00 S ATOM 1196 CE MET A 82 1.381 2.896 4.642 1.00 0.00 C ATOM 0 H MET A 82 -3.909 1.158 2.859 1.00 0.00 H new ATOM 0 HA MET A 82 -2.954 0.497 5.505 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.807 2.767 3.525 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.373 3.072 5.195 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.637 1.370 5.119 1.00 0.00 H new ATOM 0 HG3 MET A 82 -1.141 0.863 3.519 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.953 3.821 4.579 1.00 0.00 H new ATOM 0 HE2 MET A 82 0.965 2.794 5.644 1.00 0.00 H new ATOM 0 HE3 MET A 82 2.035 2.050 4.433 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.577 2.387 5.062 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.700 3.024 5.736 1.00 0.00 C ATOM 1208 C VAL A 83 -7.493 2.008 6.556 1.00 0.00 C ATOM 1209 O VAL A 83 -8.192 2.370 7.502 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.639 3.708 4.721 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.782 4.419 5.430 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.859 4.681 3.848 1.00 0.00 C ATOM 0 H VAL A 83 -5.659 2.359 4.046 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.291 3.780 6.406 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.069 2.937 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.429 4.893 4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.358 3.696 6.007 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.378 5.178 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.536 5.155 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.399 5.444 4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.083 4.141 3.305 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.377 0.735 6.187 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.080 -0.331 6.891 1.00 0.00 C ATOM 1224 C ARG A 84 -7.327 -0.747 8.153 1.00 0.00 C ATOM 1225 O ARG A 84 -7.890 -1.395 9.035 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.264 -1.540 5.971 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.140 -1.255 4.761 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.170 -2.352 4.539 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.535 -1.832 4.553 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.161 -1.421 5.653 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.549 -1.471 6.830 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.400 -0.959 5.577 1.00 0.00 N ATOM 0 H ARG A 84 -6.803 0.418 5.405 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.058 0.048 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.286 -1.879 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.703 -2.358 6.543 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.649 -0.301 4.897 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.514 -1.159 3.874 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.978 -2.841 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.063 -3.112 5.314 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.038 -1.781 3.667 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.595 -1.826 6.894 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.033 -1.155 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.875 -0.918 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -13.879 -0.644 6.420 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.052 -0.371 8.237 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.232 -0.706 9.396 1.00 0.00 C ATOM 1248 C GLN A 85 -4.951 0.539 10.228 1.00 0.00 C ATOM 1249 O GLN A 85 -4.886 0.479 11.456 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.911 -1.345 8.955 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.047 -2.271 7.755 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.145 -3.301 7.932 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -5.306 -3.875 9.009 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.907 -3.543 6.871 1.00 0.00 N ATOM 0 H GLN A 85 -5.567 0.165 7.517 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.783 -1.422 10.006 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.199 -0.556 8.714 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.493 -1.907 9.790 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.252 -1.677 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.099 -2.782 7.586 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.738 -3.044 5.998 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.661 -4.228 6.930 1.00 0.00 H new ATOM 1263 N MET A 86 -4.786 1.667 9.546 1.00 0.00 N ATOM 1264 CA MET A 86 -4.515 2.933 10.211 1.00 0.00 C ATOM 1265 C MET A 86 -5.652 3.301 11.159 1.00 0.00 C ATOM 1266 O MET A 86 -5.443 3.468 12.361 1.00 0.00 O ATOM 1267 CB MET A 86 -4.320 4.038 9.174 1.00 0.00 C ATOM 1268 CG MET A 86 -2.903 4.115 8.627 1.00 0.00 C ATOM 1269 SD MET A 86 -2.540 5.705 7.861 1.00 0.00 S ATOM 1270 CE MET A 86 -2.015 5.186 6.229 1.00 0.00 C ATOM 0 H MET A 86 -4.836 1.729 8.529 1.00 0.00 H new ATOM 0 HA MET A 86 -3.601 2.825 10.795 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.012 3.875 8.347 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.580 4.997 9.623 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.195 3.936 9.436 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.757 3.321 7.894 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.655 6.050 5.671 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.213 4.454 6.321 1.00 0.00 H new ATOM 0 HE3 MET A 86 -2.857 4.738 5.701 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.857 3.425 10.608 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.030 3.770 11.402 1.00 0.00 C ATOM 1282 C LYS A 87 -8.319 2.692 12.442 1.00 0.00 C ATOM 1283 O LYS A 87 -9.168 1.825 12.233 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.246 3.954 10.492 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.315 5.325 9.839 1.00 0.00 C ATOM 1286 CD LYS A 87 -8.415 5.410 8.617 1.00 0.00 C ATOM 1287 CE LYS A 87 -7.180 6.250 8.892 1.00 0.00 C ATOM 1288 NZ LYS A 87 -6.717 6.974 7.677 1.00 0.00 N ATOM 0 H LYS A 87 -7.045 3.291 9.614 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.826 4.706 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.226 3.191 9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.153 3.792 11.074 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.344 5.539 9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.022 6.087 10.561 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.114 4.407 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.971 5.840 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.399 6.969 9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.379 5.608 9.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.925 7.600 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.403 6.287 6.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.499 7.542 7.292 1.00 0.00 H new ATOM 1302 N GLU A 88 -7.605 2.750 13.562 1.00 0.00 N ATOM 1303 CA GLU A 88 -7.782 1.778 14.634 1.00 0.00 C ATOM 1304 C GLU A 88 -7.389 2.375 15.980 1.00 0.00 C ATOM 1305 O GLU A 88 -6.733 3.415 16.041 1.00 0.00 O ATOM 1306 CB GLU A 88 -6.950 0.524 14.355 1.00 0.00 C ATOM 1307 CG GLU A 88 -7.287 -0.645 15.266 1.00 0.00 C ATOM 1308 CD GLU A 88 -6.624 -1.936 14.826 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -6.898 -2.388 13.694 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -5.830 -2.494 15.612 1.00 0.00 O ATOM 0 H GLU A 88 -6.898 3.461 13.750 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.836 1.505 14.673 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -7.101 0.221 13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.893 0.767 14.466 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.976 -0.409 16.284 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.368 -0.785 15.287 1.00 0.00 H new ATOM 1317 N ASP A 89 -7.792 1.711 17.059 1.00 0.00 N ATOM 1318 CA ASP A 89 -7.481 2.177 18.406 1.00 0.00 C ATOM 1319 C ASP A 89 -5.973 2.277 18.613 1.00 0.00 C ATOM 1320 O ASP A 89 -5.330 1.320 19.044 1.00 0.00 O ATOM 1321 CB ASP A 89 -8.088 1.235 19.446 1.00 0.00 C ATOM 1322 CG ASP A 89 -9.598 1.347 19.516 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -10.108 2.487 19.533 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -10.272 0.295 19.553 1.00 0.00 O ATOM 0 H ASP A 89 -8.335 0.848 17.027 1.00 0.00 H new ATOM 0 HA ASP A 89 -7.913 3.170 18.529 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -7.813 0.208 19.206 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -7.664 1.458 20.425 1.00 0.00 H new ATOM 1329 N ALA A 90 -5.414 3.442 18.302 1.00 0.00 N ATOM 1330 CA ALA A 90 -3.982 3.668 18.454 1.00 0.00 C ATOM 1331 C ALA A 90 -3.636 4.044 19.891 1.00 0.00 C ATOM 1332 O ALA A 90 -4.522 3.925 20.763 1.00 0.00 O ATOM 1333 CB ALA A 90 -3.514 4.752 17.495 1.00 0.00 C ATOM 1334 OXT ALA A 90 -2.481 4.453 20.132 1.00 0.00 O ATOM 0 H ALA A 90 -5.932 4.244 17.943 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.465 2.739 18.214 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.443 4.910 17.620 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.718 4.444 16.470 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -4.045 5.680 17.708 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 1.450 -3.483 10.059 1.00 0.00 N ATOM 1342 CA ARG B 115 0.405 -3.086 9.079 1.00 0.00 C ATOM 1343 C ARG B 115 0.209 -1.572 9.060 1.00 0.00 C ATOM 1344 O ARG B 115 0.151 -0.959 7.994 1.00 0.00 O ATOM 1345 CB ARG B 115 -0.904 -3.789 9.447 1.00 0.00 C ATOM 1346 CG ARG B 115 -1.494 -3.334 10.772 1.00 0.00 C ATOM 1347 CD ARG B 115 -2.724 -4.149 11.142 1.00 0.00 C ATOM 1348 NE ARG B 115 -2.843 -4.337 12.586 1.00 0.00 N ATOM 1349 CZ ARG B 115 -3.880 -4.929 13.173 1.00 0.00 C ATOM 1350 NH1 ARG B 115 -4.890 -5.390 12.445 1.00 0.00 N ATOM 1351 NH2 ARG B 115 -3.908 -5.060 14.493 1.00 0.00 N ATOM 0 HA ARG B 115 0.721 -3.385 8.080 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -1.634 -3.615 8.656 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -0.729 -4.864 9.488 1.00 0.00 H new ATOM 0 HG2 ARG B 115 -0.744 -3.428 11.557 1.00 0.00 H new ATOM 0 HG3 ARG B 115 -1.760 -2.279 10.710 1.00 0.00 H new ATOM 0 HD2 ARG B 115 -3.617 -3.648 10.767 1.00 0.00 H new ATOM 0 HD3 ARG B 115 -2.675 -5.122 10.653 1.00 0.00 H new ATOM 0 HE ARG B 115 -2.087 -3.994 13.179 1.00 0.00 H new ATOM 0 HH11 ARG B 115 -4.874 -5.291 11.430 1.00 0.00 H new ATOM 0 HH12 ARG B 115 -5.682 -5.843 12.901 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -3.135 -4.707 15.057 1.00 0.00 H new ATOM 0 HH22 ARG B 115 -4.703 -5.514 14.944 1.00 0.00 H new ATOM 1367 N MET B 116 0.110 -0.973 10.244 1.00 0.00 N ATOM 1368 CA MET B 116 -0.076 0.469 10.355 1.00 0.00 C ATOM 1369 C MET B 116 1.268 1.186 10.408 1.00 0.00 C ATOM 1370 O MET B 116 2.300 0.569 10.673 1.00 0.00 O ATOM 1371 CB MET B 116 -0.897 0.809 11.600 1.00 0.00 C ATOM 1372 CG MET B 116 -1.176 2.295 11.756 1.00 0.00 C ATOM 1373 SD MET B 116 -2.302 2.651 13.119 1.00 0.00 S ATOM 1374 CE MET B 116 -1.854 4.344 13.495 1.00 0.00 C ATOM 0 H MET B 116 0.155 -1.463 11.137 1.00 0.00 H new ATOM 0 HA MET B 116 -0.617 0.808 9.471 1.00 0.00 H new ATOM 0 HB2 MET B 116 -1.845 0.272 11.558 1.00 0.00 H new ATOM 0 HB3 MET B 116 -0.367 0.452 12.483 1.00 0.00 H new ATOM 0 HG2 MET B 116 -0.236 2.822 11.919 1.00 0.00 H new ATOM 0 HG3 MET B 116 -1.601 2.680 10.829 1.00 0.00 H new ATOM 0 HE1 MET B 116 -2.466 4.707 14.321 1.00 0.00 H new ATOM 0 HE2 MET B 116 -0.802 4.388 13.776 1.00 0.00 H new ATOM 0 HE3 MET B 116 -2.021 4.968 12.617 1.00 0.00 H new ATOM 1384 N SER B 117 1.249 2.489 10.152 1.00 0.00 N ATOM 1385 CA SER B 117 2.469 3.288 10.166 1.00 0.00 C ATOM 1386 C SER B 117 3.479 2.747 9.163 1.00 0.00 C ATOM 1387 O SER B 117 4.687 2.781 9.398 1.00 0.00 O ATOM 1388 CB SER B 117 3.078 3.307 11.569 1.00 0.00 C ATOM 1389 OG SER B 117 3.853 2.145 11.806 1.00 0.00 O ATOM 0 H SER B 117 0.403 3.015 9.932 1.00 0.00 H new ATOM 0 HA SER B 117 2.211 4.308 9.881 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.701 4.193 11.686 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.284 3.376 12.312 1.00 0.00 H new ATOM 0 HG SER B 117 3.289 1.350 11.706 1.00 0.00 H new ATOM 1395 N ALA B 118 2.971 2.251 8.040 1.00 0.00 N ATOM 1396 CA ALA B 118 3.819 1.701 6.988 1.00 0.00 C ATOM 1397 C ALA B 118 4.444 2.808 6.140 1.00 0.00 C ATOM 1398 O ALA B 118 5.181 2.533 5.193 1.00 0.00 O ATOM 1399 CB ALA B 118 3.012 0.753 6.114 1.00 0.00 C ATOM 0 H ALA B 118 1.973 2.218 7.834 1.00 0.00 H new ATOM 0 HA ALA B 118 4.631 1.148 7.460 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.652 0.346 5.331 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.623 -0.062 6.724 1.00 0.00 H new ATOM 0 HB3 ALA B 118 2.182 1.294 5.660 1.00 0.00 H new ATOM 1405 N ASP B 119 4.147 4.063 6.482 1.00 0.00 N ATOM 1406 CA ASP B 119 4.679 5.208 5.751 1.00 0.00 C ATOM 1407 C ASP B 119 6.182 5.072 5.514 1.00 0.00 C ATOM 1408 O ASP B 119 6.717 5.611 4.546 1.00 0.00 O ATOM 1409 CB ASP B 119 4.390 6.502 6.515 1.00 0.00 C ATOM 1410 CG ASP B 119 4.543 7.734 5.644 1.00 0.00 C ATOM 1411 OD1 ASP B 119 3.976 7.748 4.533 1.00 0.00 O ATOM 1412 OD2 ASP B 119 5.229 8.683 6.077 1.00 0.00 O ATOM 0 H ASP B 119 3.539 4.310 7.263 1.00 0.00 H new ATOM 0 HA ASP B 119 4.185 5.240 4.780 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.376 6.466 6.914 1.00 0.00 H new ATOM 0 HB3 ASP B 119 5.066 6.576 7.367 1.00 0.00 H new ATOM 1417 N ALA B 120 6.860 4.348 6.402 1.00 0.00 N ATOM 1418 CA ALA B 120 8.301 4.144 6.281 1.00 0.00 C ATOM 1419 C ALA B 120 8.672 3.676 4.879 1.00 0.00 C ATOM 1420 O ALA B 120 9.309 4.405 4.119 1.00 0.00 O ATOM 1421 CB ALA B 120 8.784 3.145 7.320 1.00 0.00 C ATOM 0 H ALA B 120 6.436 3.894 7.211 1.00 0.00 H new ATOM 0 HA ALA B 120 8.794 5.100 6.459 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.860 3.004 7.217 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.562 3.522 8.318 1.00 0.00 H new ATOM 0 HB3 ALA B 120 8.277 2.192 7.171 1.00 0.00 H new ATOM 1427 N MET B 121 8.258 2.459 4.533 1.00 0.00 N ATOM 1428 CA MET B 121 8.540 1.908 3.212 1.00 0.00 C ATOM 1429 C MET B 121 8.044 2.860 2.130 1.00 0.00 C ATOM 1430 O MET B 121 8.631 2.956 1.052 1.00 0.00 O ATOM 1431 CB MET B 121 7.875 0.536 3.052 1.00 0.00 C ATOM 1432 CG MET B 121 7.959 -0.031 1.640 1.00 0.00 C ATOM 1433 SD MET B 121 6.429 -0.832 1.117 1.00 0.00 S ATOM 1434 CE MET B 121 5.244 0.471 1.430 1.00 0.00 C ATOM 0 H MET B 121 7.729 1.839 5.146 1.00 0.00 H new ATOM 0 HA MET B 121 9.618 1.786 3.109 1.00 0.00 H new ATOM 0 HB2 MET B 121 8.342 -0.166 3.743 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.826 0.616 3.339 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.199 0.773 0.944 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.776 -0.751 1.590 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.346 0.297 0.837 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.984 0.479 2.488 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.679 1.432 1.156 1.00 0.00 H new ATOM 1444 N LEU B 122 6.961 3.566 2.432 1.00 0.00 N ATOM 1445 CA LEU B 122 6.386 4.514 1.493 1.00 0.00 C ATOM 1446 C LEU B 122 7.330 5.694 1.289 1.00 0.00 C ATOM 1447 O LEU B 122 7.469 6.207 0.181 1.00 0.00 O ATOM 1448 CB LEU B 122 5.023 5.002 1.993 1.00 0.00 C ATOM 1449 CG LEU B 122 3.863 4.027 1.770 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.952 2.858 2.739 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.529 4.742 1.919 1.00 0.00 C ATOM 0 H LEU B 122 6.465 3.498 3.321 1.00 0.00 H new ATOM 0 HA LEU B 122 6.243 4.012 0.536 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.099 5.214 3.059 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.787 5.943 1.497 1.00 0.00 H new ATOM 0 HG LEU B 122 3.934 3.637 0.755 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.119 2.177 2.565 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.892 2.329 2.585 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.908 3.230 3.763 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.716 4.034 1.757 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.451 5.161 2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.462 5.545 1.184 1.00 0.00 H new ATOM 1463 N ARG B 123 7.983 6.114 2.369 1.00 0.00 N ATOM 1464 CA ARG B 123 8.925 7.227 2.307 1.00 0.00 C ATOM 1465 C ARG B 123 10.339 6.732 2.002 1.00 0.00 C ATOM 1466 O ARG B 123 11.279 7.524 1.926 1.00 0.00 O ATOM 1467 CB ARG B 123 8.917 7.999 3.629 1.00 0.00 C ATOM 1468 CG ARG B 123 9.672 9.316 3.571 1.00 0.00 C ATOM 1469 CD ARG B 123 9.559 10.084 4.878 1.00 0.00 C ATOM 1470 NE ARG B 123 8.601 11.183 4.787 1.00 0.00 N ATOM 1471 CZ ARG B 123 8.059 11.784 5.844 1.00 0.00 C ATOM 1472 NH1 ARG B 123 8.378 11.396 7.073 1.00 0.00 N ATOM 1473 NH2 ARG B 123 7.197 12.776 5.672 1.00 0.00 N ATOM 0 H ARG B 123 7.877 5.701 3.296 1.00 0.00 H new ATOM 0 HA ARG B 123 8.612 7.891 1.501 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.885 8.195 3.919 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.354 7.374 4.408 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.722 9.125 3.350 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.281 9.925 2.756 1.00 0.00 H new ATOM 0 HD2 ARG B 123 9.255 9.403 5.673 1.00 0.00 H new ATOM 0 HD3 ARG B 123 10.538 10.478 5.152 1.00 0.00 H new ATOM 0 HE ARG B 123 8.331 11.509 3.859 1.00 0.00 H new ATOM 0 HH11 ARG B 123 9.042 10.634 7.211 1.00 0.00 H new ATOM 0 HH12 ARG B 123 7.960 11.860 7.879 1.00 0.00 H new ATOM 0 HH21 ARG B 123 6.949 13.079 4.730 1.00 0.00 H new ATOM 0 HH22 ARG B 123 6.781 13.237 6.482 1.00 0.00 H new ATOM 1487 N ALA B 124 10.486 5.419 1.833 1.00 0.00 N ATOM 1488 CA ALA B 124 11.783 4.822 1.545 1.00 0.00 C ATOM 1489 C ALA B 124 12.301 5.235 0.172 1.00 0.00 C ATOM 1490 O ALA B 124 13.249 6.014 0.062 1.00 0.00 O ATOM 1491 CB ALA B 124 11.690 3.306 1.636 1.00 0.00 C ATOM 0 H ALA B 124 9.719 4.749 1.891 1.00 0.00 H new ATOM 0 HA ALA B 124 12.491 5.187 2.289 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.664 2.868 1.419 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.379 3.020 2.641 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.960 2.942 0.913 1.00 0.00 H new ATOM 1497 N LEU B 125 11.679 4.700 -0.874 1.00 0.00 N ATOM 1498 CA LEU B 125 12.080 5.003 -2.241 1.00 0.00 C ATOM 1499 C LEU B 125 11.585 6.381 -2.671 1.00 0.00 C ATOM 1500 O LEU B 125 12.158 7.007 -3.563 1.00 0.00 O ATOM 1501 CB LEU B 125 11.544 3.932 -3.189 1.00 0.00 C ATOM 1502 CG LEU B 125 11.804 2.496 -2.737 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.771 1.555 -3.331 1.00 0.00 C ATOM 1504 CD2 LEU B 125 13.212 2.065 -3.119 1.00 0.00 C ATOM 0 H LEU B 125 10.894 4.053 -0.799 1.00 0.00 H new ATOM 0 HA LEU B 125 13.169 5.010 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.470 4.073 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.993 4.077 -4.171 1.00 0.00 H new ATOM 0 HG LEU B 125 11.717 2.453 -1.651 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.972 0.537 -2.998 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.775 1.854 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.823 1.598 -4.419 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.381 1.040 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.329 2.122 -4.201 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.937 2.724 -2.640 1.00 0.00 H new ATOM 1516 N LEU B 126 10.516 6.849 -2.033 1.00 0.00 N ATOM 1517 CA LEU B 126 9.945 8.153 -2.351 1.00 0.00 C ATOM 1518 C LEU B 126 9.556 8.234 -3.824 1.00 0.00 C ATOM 1519 O LEU B 126 9.872 7.341 -4.610 1.00 0.00 O ATOM 1520 CB LEU B 126 10.943 9.264 -2.012 1.00 0.00 C ATOM 1521 CG LEU B 126 10.817 9.834 -0.598 1.00 0.00 C ATOM 1522 CD1 LEU B 126 11.974 10.772 -0.296 1.00 0.00 C ATOM 1523 CD2 LEU B 126 9.487 10.554 -0.432 1.00 0.00 C ATOM 0 H LEU B 126 10.028 6.344 -1.293 1.00 0.00 H new ATOM 0 HA LEU B 126 9.045 8.285 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU B 126 11.954 8.877 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU B 126 10.817 10.076 -2.728 1.00 0.00 H new ATOM 0 HG LEU B 126 10.852 9.008 0.112 1.00 0.00 H new ATOM 0 HD11 LEU B 126 11.867 11.168 0.714 1.00 0.00 H new ATOM 0 HD12 LEU B 126 12.915 10.227 -0.375 1.00 0.00 H new ATOM 0 HD13 LEU B 126 11.971 11.595 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU B 126 9.413 10.954 0.579 1.00 0.00 H new ATOM 0 HD22 LEU B 126 9.424 11.371 -1.150 1.00 0.00 H new ATOM 0 HD23 LEU B 126 8.670 9.854 -0.606 1.00 0.00 H new ATOM 1535 N GLY B 127 8.867 9.310 -4.190 1.00 0.00 N ATOM 1536 CA GLY B 127 8.446 9.487 -5.568 1.00 0.00 C ATOM 1537 C GLY B 127 8.563 10.926 -6.029 1.00 0.00 C ATOM 1538 O GLY B 127 7.632 11.715 -5.864 1.00 0.00 O ATOM 0 H GLY B 127 8.593 10.062 -3.558 1.00 0.00 H new ATOM 0 HA2 GLY B 127 9.051 8.851 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY B 127 7.412 9.157 -5.674 1.00 0.00 H new ATOM 1542 N SER B 128 9.708 11.267 -6.609 1.00 0.00 N ATOM 1543 CA SER B 128 9.944 12.622 -7.096 1.00 0.00 C ATOM 1544 C SER B 128 9.334 12.816 -8.481 1.00 0.00 C ATOM 1545 O SER B 128 8.880 11.860 -9.109 1.00 0.00 O ATOM 1546 CB SER B 128 11.445 12.915 -7.141 1.00 0.00 C ATOM 1547 OG SER B 128 12.179 11.760 -7.505 1.00 0.00 O ATOM 0 H SER B 128 10.487 10.625 -6.754 1.00 0.00 H new ATOM 0 HA SER B 128 9.465 13.318 -6.407 1.00 0.00 H new ATOM 0 HB2 SER B 128 11.641 13.715 -7.855 1.00 0.00 H new ATOM 0 HB3 SER B 128 11.779 13.270 -6.166 1.00 0.00 H new ATOM 0 HG SER B 128 13.135 11.974 -7.528 1.00 0.00 H new ATOM 1553 N LYS B 129 9.327 14.060 -8.948 1.00 0.00 N ATOM 1554 CA LYS B 129 8.772 14.380 -10.260 1.00 0.00 C ATOM 1555 C LYS B 129 9.602 15.456 -10.953 1.00 0.00 C ATOM 1556 O LYS B 129 10.294 16.237 -10.300 1.00 0.00 O ATOM 1557 CB LYS B 129 7.322 14.847 -10.122 1.00 0.00 C ATOM 1558 CG LYS B 129 6.521 14.727 -11.408 1.00 0.00 C ATOM 1559 CD LYS B 129 5.152 15.374 -11.273 1.00 0.00 C ATOM 1560 CE LYS B 129 4.082 14.569 -11.992 1.00 0.00 C ATOM 1561 NZ LYS B 129 2.714 14.907 -11.510 1.00 0.00 N ATOM 0 H LYS B 129 9.698 14.862 -8.439 1.00 0.00 H new ATOM 0 HA LYS B 129 8.799 13.477 -10.870 1.00 0.00 H new ATOM 0 HB2 LYS B 129 6.833 14.262 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS B 129 7.313 15.886 -9.793 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.068 15.198 -12.224 1.00 0.00 H new ATOM 0 HG3 LYS B 129 6.404 13.675 -11.668 1.00 0.00 H new ATOM 0 HD2 LYS B 129 4.893 15.464 -10.218 1.00 0.00 H new ATOM 0 HD3 LYS B 129 5.184 16.384 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS B 129 4.146 14.757 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS B 129 4.267 13.505 -11.843 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 2.014 14.337 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 2.645 14.704 -10.492 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 2.527 15.917 -11.675 1.00 0.00 H new ATOM 1575 N HIS B 130 9.526 15.490 -12.280 1.00 0.00 N ATOM 1576 CA HIS B 130 10.270 16.471 -13.062 1.00 0.00 C ATOM 1577 C HIS B 130 9.581 17.831 -13.027 1.00 0.00 C ATOM 1578 O HIS B 130 8.381 17.924 -12.767 1.00 0.00 O ATOM 1579 CB HIS B 130 10.413 15.996 -14.509 1.00 0.00 C ATOM 1580 CG HIS B 130 11.561 16.627 -15.235 1.00 0.00 C ATOM 1581 ND1 HIS B 130 12.738 16.988 -14.614 1.00 0.00 N ATOM 1582 CD2 HIS B 130 11.708 16.960 -16.539 1.00 0.00 C ATOM 1583 CE1 HIS B 130 13.558 17.517 -15.503 1.00 0.00 C ATOM 1584 NE2 HIS B 130 12.957 17.512 -16.679 1.00 0.00 N ATOM 0 H HIS B 130 8.958 14.851 -12.835 1.00 0.00 H new ATOM 0 HA HIS B 130 11.261 16.575 -12.620 1.00 0.00 H new ATOM 0 HB2 HIS B 130 10.540 14.913 -14.517 1.00 0.00 H new ATOM 0 HB3 HIS B 130 9.490 16.213 -15.047 1.00 0.00 H new ATOM 0 HD2 HIS B 130 10.979 16.818 -17.323 1.00 0.00 H new ATOM 0 HE1 HIS B 130 14.551 17.890 -15.303 1.00 0.00 H new ATOM 0 HE2 HIS B 130 13.356 17.862 -17.550 1.00 0.00 H new ATOM 1593 N LYS B 131 10.347 18.884 -13.291 1.00 0.00 N ATOM 1594 CA LYS B 131 9.810 20.240 -13.290 1.00 0.00 C ATOM 1595 C LYS B 131 9.512 20.710 -14.710 1.00 0.00 C ATOM 1596 O LYS B 131 9.842 19.967 -15.659 1.00 0.00 O ATOM 1597 CB LYS B 131 10.793 21.201 -12.618 1.00 0.00 C ATOM 1598 CG LYS B 131 12.228 21.029 -13.087 1.00 0.00 C ATOM 1599 CD LYS B 131 12.938 22.367 -13.212 1.00 0.00 C ATOM 1600 CE LYS B 131 12.699 22.999 -14.575 1.00 0.00 C ATOM 1601 NZ LYS B 131 11.577 23.977 -14.544 1.00 0.00 N ATOM 1602 OXT LYS B 131 8.952 21.815 -14.862 1.00 0.00 O ATOM 0 H LYS B 131 11.342 18.825 -13.508 1.00 0.00 H new ATOM 0 HA LYS B 131 8.877 20.233 -12.726 1.00 0.00 H new ATOM 0 HB2 LYS B 131 10.476 22.226 -12.812 1.00 0.00 H new ATOM 0 HB3 LYS B 131 10.752 21.054 -11.539 1.00 0.00 H new ATOM 0 HG2 LYS B 131 12.768 20.394 -12.385 1.00 0.00 H new ATOM 0 HG3 LYS B 131 12.238 20.519 -14.050 1.00 0.00 H new ATOM 0 HD2 LYS B 131 12.587 23.041 -12.431 1.00 0.00 H new ATOM 0 HD3 LYS B 131 14.008 22.228 -13.056 1.00 0.00 H new ATOM 0 HE2 LYS B 131 13.608 23.500 -14.907 1.00 0.00 H new ATOM 0 HE3 LYS B 131 12.480 22.219 -15.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 11.644 24.609 -15.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 10.671 23.467 -14.572 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 11.631 24.539 -13.671 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.850 -6.475 -4.284 1.00 0.00 CA HETATM 1618 CA CA A 133 2.341 -6.373 -10.329 1.00 0.00 CA