USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 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 43 HIS : no HD1:sc= -0.731 K(o=-1,f=0.74) USER MOD Set 1.2: A 88 TYR OH : rot 30:sc= -0.305 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= -0.0177 (180deg=-0.43) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0858 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -61:sc= 1.19 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00791) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -177:sc= -0.112 (180deg=-0.15) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -129:sc= 0.235 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= -0.143 (180deg=-0.647) USER MOD Single : A 41 MET CE :methyl -163:sc= -6.54! (180deg=-7.24!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.0596 K(o=-0.06,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 141:sc= -0.0328 (180deg=-0.356) USER MOD Single : A 61 SER OG : rot 180:sc= -0.331 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 66:sc= 0.543 USER MOD Single : A 86 LYS NZ :NH3+ -164:sc= -0.0131 (180deg=-0.143) USER MOD Single : A 89 THR OG1 : rot -56:sc= 0.00114 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.0109 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.864 -62.728 -10.983 1.00 0.00 N ATOM 2 CA MET A 1 -18.383 -62.236 -9.697 1.00 0.00 C ATOM 3 C MET A 1 -17.476 -61.023 -9.885 1.00 0.00 C ATOM 4 O MET A 1 -16.252 -61.148 -9.894 1.00 0.00 O ATOM 5 CB MET A 1 -17.630 -63.341 -8.955 1.00 0.00 C ATOM 6 CG MET A 1 -16.602 -64.059 -9.814 1.00 0.00 C ATOM 7 SD MET A 1 -15.066 -64.393 -8.930 1.00 0.00 S ATOM 8 CE MET A 1 -15.480 -65.924 -8.097 1.00 0.00 C ATOM 0 H1 MET A 1 -19.119 -63.733 -10.897 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.700 -62.182 -11.273 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.116 -62.621 -11.698 1.00 0.00 H new ATOM 0 HA MET A 1 -19.246 -61.934 -9.104 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.129 -62.909 -8.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.348 -64.069 -8.578 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.024 -64.999 -10.168 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.385 -63.455 -10.695 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.627 -66.259 -7.507 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.334 -65.761 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.731 -66.684 -8.837 1.00 0.00 H new ATOM 18 N ALA A 2 -18.086 -59.852 -10.033 1.00 0.00 N ATOM 19 CA ALA A 2 -17.334 -58.617 -10.219 1.00 0.00 C ATOM 20 C ALA A 2 -18.188 -57.399 -9.884 1.00 0.00 C ATOM 21 O ALA A 2 -19.305 -57.530 -9.382 1.00 0.00 O ATOM 22 CB ALA A 2 -16.817 -58.525 -11.647 1.00 0.00 C ATOM 0 H ALA A 2 -19.099 -59.732 -10.028 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.484 -58.631 -9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.257 -57.598 -11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.165 -59.374 -11.853 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -17.658 -58.537 -12.340 1.00 0.00 H new ATOM 28 N ALA A 3 -17.657 -56.214 -10.168 1.00 0.00 N ATOM 29 CA ALA A 3 -18.371 -54.973 -9.897 1.00 0.00 C ATOM 30 C ALA A 3 -18.044 -53.910 -10.941 1.00 0.00 C ATOM 31 O ALA A 3 -18.075 -52.714 -10.655 1.00 0.00 O ATOM 32 CB ALA A 3 -18.034 -54.464 -8.503 1.00 0.00 C ATOM 0 H ALA A 3 -16.735 -56.088 -10.586 1.00 0.00 H new ATOM 0 HA ALA A 3 -19.440 -55.180 -9.950 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -18.574 -53.536 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -18.324 -55.210 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -16.962 -54.280 -8.432 1.00 0.00 H new ATOM 38 N LYS A 4 -17.731 -54.356 -12.154 1.00 0.00 N ATOM 39 CA LYS A 4 -17.398 -53.443 -13.242 1.00 0.00 C ATOM 40 C LYS A 4 -16.209 -52.561 -12.871 1.00 0.00 C ATOM 41 O LYS A 4 -16.381 -51.433 -12.409 1.00 0.00 O ATOM 42 CB LYS A 4 -18.607 -52.571 -13.591 1.00 0.00 C ATOM 43 CG LYS A 4 -19.478 -53.153 -14.693 1.00 0.00 C ATOM 44 CD LYS A 4 -20.924 -52.706 -14.553 1.00 0.00 C ATOM 45 CE LYS A 4 -21.863 -53.608 -15.340 1.00 0.00 C ATOM 46 NZ LYS A 4 -21.792 -53.341 -16.803 1.00 0.00 N ATOM 0 H LYS A 4 -17.701 -55.343 -12.408 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.125 -54.040 -14.112 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -19.213 -52.430 -12.696 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -18.257 -51.585 -13.898 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.093 -52.844 -15.665 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.428 -54.241 -14.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -21.208 -52.712 -13.501 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.024 -51.679 -14.904 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.610 -54.651 -15.149 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -22.885 -53.459 -14.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -22.446 -53.976 -17.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -22.058 -52.353 -16.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -20.822 -53.508 -17.140 1.00 0.00 H new ATOM 60 N GLN A 5 -15.005 -53.084 -13.076 1.00 0.00 N ATOM 61 CA GLN A 5 -13.787 -52.345 -12.764 1.00 0.00 C ATOM 62 C GLN A 5 -12.993 -52.044 -14.030 1.00 0.00 C ATOM 63 O GLN A 5 -12.571 -52.955 -14.742 1.00 0.00 O ATOM 64 CB GLN A 5 -12.923 -53.138 -11.782 1.00 0.00 C ATOM 65 CG GLN A 5 -13.579 -53.351 -10.428 1.00 0.00 C ATOM 66 CD GLN A 5 -12.813 -54.327 -9.556 1.00 0.00 C ATOM 67 OE1 GLN A 5 -11.698 -54.730 -9.886 1.00 0.00 O ATOM 68 NE2 GLN A 5 -13.410 -54.713 -8.435 1.00 0.00 N ATOM 0 H GLN A 5 -14.846 -54.017 -13.457 1.00 0.00 H new ATOM 0 HA GLN A 5 -14.073 -51.399 -12.304 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.689 -54.109 -12.219 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.977 -52.616 -11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.659 -52.394 -9.912 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -14.594 -53.720 -10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.335 -54.354 -8.200 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.943 -55.369 -7.808 1.00 0.00 H new ATOM 77 N GLY A 6 -12.792 -50.759 -14.306 1.00 0.00 N ATOM 78 CA GLY A 6 -12.048 -50.362 -15.486 1.00 0.00 C ATOM 79 C GLY A 6 -12.679 -49.181 -16.199 1.00 0.00 C ATOM 80 O GLY A 6 -12.894 -49.223 -17.411 1.00 0.00 O ATOM 0 H GLY A 6 -13.131 -49.986 -13.733 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -11.028 -50.107 -15.200 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.985 -51.206 -16.173 1.00 0.00 H new ATOM 84 N GLU A 7 -12.975 -48.126 -15.447 1.00 0.00 N ATOM 85 CA GLU A 7 -13.584 -46.930 -16.016 1.00 0.00 C ATOM 86 C GLU A 7 -12.517 -45.973 -16.539 1.00 0.00 C ATOM 87 O GLU A 7 -12.724 -45.284 -17.539 1.00 0.00 O ATOM 88 CB GLU A 7 -14.451 -46.225 -14.971 1.00 0.00 C ATOM 89 CG GLU A 7 -13.753 -46.023 -13.634 1.00 0.00 C ATOM 90 CD GLU A 7 -14.373 -46.845 -12.522 1.00 0.00 C ATOM 91 OE1 GLU A 7 -14.619 -48.050 -12.740 1.00 0.00 O ATOM 92 OE2 GLU A 7 -14.612 -46.285 -11.431 1.00 0.00 O ATOM 0 H GLU A 7 -12.803 -48.075 -14.443 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.214 -47.236 -16.852 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.758 -45.255 -15.361 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -15.359 -46.807 -14.813 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.701 -46.289 -13.734 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.791 -44.967 -13.365 1.00 0.00 H new ATOM 99 N SER A 8 -11.375 -45.937 -15.859 1.00 0.00 N ATOM 100 CA SER A 8 -10.274 -45.066 -16.256 1.00 0.00 C ATOM 101 C SER A 8 -10.725 -43.608 -16.317 1.00 0.00 C ATOM 102 O SER A 8 -10.525 -42.927 -17.323 1.00 0.00 O ATOM 103 CB SER A 8 -9.717 -45.500 -17.613 1.00 0.00 C ATOM 104 OG SER A 8 -10.038 -46.854 -17.887 1.00 0.00 O ATOM 0 H SER A 8 -11.188 -46.501 -15.030 1.00 0.00 H new ATOM 0 HA SER A 8 -9.488 -45.151 -15.506 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.123 -44.861 -18.397 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.635 -45.370 -17.624 1.00 0.00 H new ATOM 0 HG SER A 8 -9.672 -47.107 -18.760 1.00 0.00 H new ATOM 110 N ASP A 9 -11.333 -43.136 -15.233 1.00 0.00 N ATOM 111 CA ASP A 9 -11.813 -41.761 -15.163 1.00 0.00 C ATOM 112 C ASP A 9 -11.171 -41.019 -13.992 1.00 0.00 C ATOM 113 O ASP A 9 -11.835 -40.710 -13.002 1.00 0.00 O ATOM 114 CB ASP A 9 -13.336 -41.737 -15.027 1.00 0.00 C ATOM 115 CG ASP A 9 -14.038 -42.069 -16.328 1.00 0.00 C ATOM 116 OD1 ASP A 9 -13.427 -42.755 -17.175 1.00 0.00 O ATOM 117 OD2 ASP A 9 -15.202 -41.647 -16.501 1.00 0.00 O ATOM 0 H ASP A 9 -11.505 -43.686 -14.391 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.531 -41.256 -16.087 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -13.641 -42.450 -14.261 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.652 -40.750 -14.688 1.00 0.00 H new ATOM 122 N PRO A 10 -9.863 -40.722 -14.090 1.00 0.00 N ATOM 123 CA PRO A 10 -9.134 -40.014 -13.035 1.00 0.00 C ATOM 124 C PRO A 10 -9.523 -38.542 -12.951 1.00 0.00 C ATOM 125 O PRO A 10 -9.344 -37.786 -13.907 1.00 0.00 O ATOM 126 CB PRO A 10 -7.671 -40.157 -13.457 1.00 0.00 C ATOM 127 CG PRO A 10 -7.721 -40.312 -14.938 1.00 0.00 C ATOM 128 CD PRO A 10 -8.995 -41.054 -15.236 1.00 0.00 C ATOM 0 HA PRO A 10 -9.348 -40.422 -12.047 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.088 -39.282 -13.169 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.204 -41.021 -12.983 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.711 -39.341 -15.432 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.854 -40.864 -15.302 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.436 -40.732 -16.180 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.825 -42.128 -15.313 1.00 0.00 H new ATOM 136 N GLU A 11 -10.056 -38.140 -11.802 1.00 0.00 N ATOM 137 CA GLU A 11 -10.470 -36.757 -11.593 1.00 0.00 C ATOM 138 C GLU A 11 -9.539 -36.047 -10.615 1.00 0.00 C ATOM 139 O GLU A 11 -9.387 -34.826 -10.663 1.00 0.00 O ATOM 140 CB GLU A 11 -11.908 -36.707 -11.073 1.00 0.00 C ATOM 141 CG GLU A 11 -12.093 -37.395 -9.731 1.00 0.00 C ATOM 142 CD GLU A 11 -13.317 -36.899 -8.986 1.00 0.00 C ATOM 143 OE1 GLU A 11 -14.419 -36.921 -9.573 1.00 0.00 O ATOM 144 OE2 GLU A 11 -13.174 -36.489 -7.814 1.00 0.00 O ATOM 0 H GLU A 11 -10.212 -38.752 -11.001 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.418 -36.242 -12.552 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.217 -35.666 -10.984 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.567 -37.174 -11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.178 -38.470 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.207 -37.231 -9.117 1.00 0.00 H new ATOM 151 N ARG A 12 -8.917 -36.819 -9.728 1.00 0.00 N ATOM 152 CA ARG A 12 -8.000 -36.262 -8.738 1.00 0.00 C ATOM 153 C ARG A 12 -8.738 -35.346 -7.767 1.00 0.00 C ATOM 154 O ARG A 12 -9.736 -34.720 -8.125 1.00 0.00 O ATOM 155 CB ARG A 12 -6.873 -35.490 -9.429 1.00 0.00 C ATOM 156 CG ARG A 12 -6.155 -36.294 -10.502 1.00 0.00 C ATOM 157 CD ARG A 12 -6.043 -35.516 -11.804 1.00 0.00 C ATOM 158 NE ARG A 12 -5.020 -36.071 -12.687 1.00 0.00 N ATOM 159 CZ ARG A 12 -4.956 -35.823 -13.993 1.00 0.00 C ATOM 160 NH1 ARG A 12 -5.850 -35.031 -14.572 1.00 0.00 N ATOM 161 NH2 ARG A 12 -3.992 -36.369 -14.724 1.00 0.00 N ATOM 0 H ARG A 12 -9.031 -37.831 -9.675 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.570 -37.090 -8.174 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.285 -34.586 -9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.149 -35.172 -8.679 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.159 -36.562 -10.151 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.692 -37.226 -10.679 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.006 -35.524 -12.315 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.807 -34.475 -11.585 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.314 -36.684 -12.279 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.593 -34.608 -14.015 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.794 -34.846 -15.573 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.301 -36.978 -14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.942 -36.180 -15.725 1.00 0.00 H new ATOM 175 N LYS A 13 -8.241 -35.275 -6.536 1.00 0.00 N ATOM 176 CA LYS A 13 -8.854 -34.436 -5.513 1.00 0.00 C ATOM 177 C LYS A 13 -8.864 -32.972 -5.942 1.00 0.00 C ATOM 178 O LYS A 13 -7.884 -32.468 -6.491 1.00 0.00 O ATOM 179 CB LYS A 13 -8.106 -34.586 -4.187 1.00 0.00 C ATOM 180 CG LYS A 13 -9.017 -34.582 -2.971 1.00 0.00 C ATOM 181 CD LYS A 13 -9.440 -35.990 -2.586 1.00 0.00 C ATOM 182 CE LYS A 13 -8.476 -36.606 -1.584 1.00 0.00 C ATOM 183 NZ LYS A 13 -8.584 -38.091 -1.551 1.00 0.00 N ATOM 0 H LYS A 13 -7.417 -35.788 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.885 -34.763 -5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.539 -35.517 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.384 -33.775 -4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.503 -34.113 -2.132 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.901 -33.980 -3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.443 -35.966 -2.160 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.487 -36.614 -3.478 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.455 -36.322 -1.840 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.679 -36.205 -0.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.911 -38.473 -0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.551 -38.363 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.365 -38.476 -2.492 1.00 0.00 H new ATOM 197 N GLU A 14 -9.979 -32.295 -5.688 1.00 0.00 N ATOM 198 CA GLU A 14 -10.119 -30.888 -6.048 1.00 0.00 C ATOM 199 C GLU A 14 -10.068 -30.002 -4.807 1.00 0.00 C ATOM 200 O GLU A 14 -11.038 -29.917 -4.054 1.00 0.00 O ATOM 201 CB GLU A 14 -11.432 -30.660 -6.799 1.00 0.00 C ATOM 202 CG GLU A 14 -11.365 -31.039 -8.270 1.00 0.00 C ATOM 203 CD GLU A 14 -12.734 -31.097 -8.918 1.00 0.00 C ATOM 204 OE1 GLU A 14 -13.636 -31.742 -8.344 1.00 0.00 O ATOM 205 OE2 GLU A 14 -12.904 -30.499 -10.002 1.00 0.00 O ATOM 0 H GLU A 14 -10.799 -32.698 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.286 -30.620 -6.698 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -12.221 -31.239 -6.319 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.711 -29.610 -6.715 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.746 -30.315 -8.800 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.878 -32.009 -8.370 1.00 0.00 H new ATOM 212 N THR A 15 -8.932 -29.344 -4.602 1.00 0.00 N ATOM 213 CA THR A 15 -8.757 -28.464 -3.452 1.00 0.00 C ATOM 214 C THR A 15 -7.947 -27.228 -3.832 1.00 0.00 C ATOM 215 O THR A 15 -7.143 -26.734 -3.042 1.00 0.00 O ATOM 216 CB THR A 15 -8.064 -29.213 -2.313 1.00 0.00 C ATOM 217 OG1 THR A 15 -7.795 -28.339 -1.230 1.00 0.00 O ATOM 218 CG2 THR A 15 -6.754 -29.851 -2.724 1.00 0.00 C ATOM 0 H THR A 15 -8.120 -29.403 -5.216 1.00 0.00 H new ATOM 0 HA THR A 15 -9.743 -28.141 -3.118 1.00 0.00 H new ATOM 0 HB THR A 15 -8.757 -30.002 -2.022 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.203 -27.618 -1.530 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.316 -30.366 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.934 -30.568 -3.525 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.068 -29.080 -3.074 1.00 0.00 H new ATOM 226 N ARG A 16 -8.167 -26.732 -5.045 1.00 0.00 N ATOM 227 CA ARG A 16 -7.459 -25.552 -5.530 1.00 0.00 C ATOM 228 C ARG A 16 -8.438 -24.512 -6.064 1.00 0.00 C ATOM 229 O ARG A 16 -8.158 -23.831 -7.049 1.00 0.00 O ATOM 230 CB ARG A 16 -6.463 -25.944 -6.623 1.00 0.00 C ATOM 231 CG ARG A 16 -5.147 -25.186 -6.547 1.00 0.00 C ATOM 232 CD ARG A 16 -4.292 -25.427 -7.781 1.00 0.00 C ATOM 233 NE ARG A 16 -3.371 -24.322 -8.033 1.00 0.00 N ATOM 234 CZ ARG A 16 -2.769 -24.111 -9.201 1.00 0.00 C ATOM 235 NH1 ARG A 16 -2.989 -24.925 -10.226 1.00 0.00 N ATOM 236 NH2 ARG A 16 -1.945 -23.082 -9.345 1.00 0.00 N ATOM 0 H ARG A 16 -8.830 -27.129 -5.711 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.915 -25.114 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.262 -27.013 -6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.918 -25.768 -7.598 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.346 -24.119 -6.444 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.599 -25.496 -5.657 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.725 -26.350 -7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.938 -25.566 -8.648 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.178 -23.674 -7.269 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.622 -25.718 -10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.525 -24.758 -11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.773 -22.453 -8.561 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.483 -22.920 -10.240 1.00 0.00 H new ATOM 250 N GLN A 17 -9.589 -24.399 -5.405 1.00 0.00 N ATOM 251 CA GLN A 17 -10.615 -23.444 -5.809 1.00 0.00 C ATOM 252 C GLN A 17 -11.134 -23.758 -7.210 1.00 0.00 C ATOM 253 O GLN A 17 -12.186 -24.377 -7.367 1.00 0.00 O ATOM 254 CB GLN A 17 -10.066 -22.015 -5.758 1.00 0.00 C ATOM 255 CG GLN A 17 -9.820 -21.508 -4.345 1.00 0.00 C ATOM 256 CD GLN A 17 -10.316 -20.091 -4.140 1.00 0.00 C ATOM 257 OE1 GLN A 17 -11.370 -19.869 -3.543 1.00 0.00 O ATOM 258 NE2 GLN A 17 -9.556 -19.120 -4.635 1.00 0.00 N ATOM 0 H GLN A 17 -9.834 -24.958 -4.588 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.447 -23.528 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.132 -21.973 -6.318 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.767 -21.347 -6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.316 -22.169 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -8.753 -21.550 -4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.690 -19.349 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -9.839 -18.146 -4.527 1.00 0.00 H new ATOM 267 N LYS A 18 -10.390 -23.329 -8.226 1.00 0.00 N ATOM 268 CA LYS A 18 -10.779 -23.567 -9.613 1.00 0.00 C ATOM 269 C LYS A 18 -12.167 -23.001 -9.897 1.00 0.00 C ATOM 270 O LYS A 18 -12.904 -23.527 -10.732 1.00 0.00 O ATOM 271 CB LYS A 18 -10.753 -25.065 -9.921 1.00 0.00 C ATOM 272 CG LYS A 18 -10.321 -25.387 -11.342 1.00 0.00 C ATOM 273 CD LYS A 18 -8.848 -25.080 -11.558 1.00 0.00 C ATOM 274 CE LYS A 18 -8.458 -25.223 -13.020 1.00 0.00 C ATOM 275 NZ LYS A 18 -7.839 -26.547 -13.304 1.00 0.00 N ATOM 0 H LYS A 18 -9.516 -22.816 -8.115 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.062 -23.057 -10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.076 -25.559 -9.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.746 -25.480 -9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.509 -26.440 -11.551 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.921 -24.810 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.633 -24.066 -11.221 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.242 -25.753 -10.951 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.341 -25.094 -13.645 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.759 -24.431 -13.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.588 -26.604 -14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -6.982 -26.660 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -8.515 -27.303 -13.073 1.00 0.00 H new ATOM 289 N VAL A 19 -12.518 -21.927 -9.197 1.00 0.00 N ATOM 290 CA VAL A 19 -13.817 -21.290 -9.375 1.00 0.00 C ATOM 291 C VAL A 19 -13.683 -19.963 -10.114 1.00 0.00 C ATOM 292 O VAL A 19 -14.445 -19.677 -11.038 1.00 0.00 O ATOM 293 CB VAL A 19 -14.512 -21.043 -8.023 1.00 0.00 C ATOM 294 CG1 VAL A 19 -15.941 -20.567 -8.233 1.00 0.00 C ATOM 295 CG2 VAL A 19 -14.482 -22.303 -7.169 1.00 0.00 C ATOM 0 H VAL A 19 -11.921 -21.480 -8.501 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.425 -21.973 -9.968 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.968 -20.260 -7.495 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -16.414 -20.398 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -15.935 -19.637 -8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -16.500 -21.324 -8.783 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -14.978 -22.110 -6.218 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.999 -23.108 -7.690 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -13.448 -22.594 -6.987 1.00 0.00 H new ATOM 305 N ASP A 20 -12.711 -19.158 -9.701 1.00 0.00 N ATOM 306 CA ASP A 20 -12.476 -17.860 -10.324 1.00 0.00 C ATOM 307 C ASP A 20 -11.021 -17.432 -10.158 1.00 0.00 C ATOM 308 O ASP A 20 -10.515 -17.340 -9.040 1.00 0.00 O ATOM 309 CB ASP A 20 -13.403 -16.805 -9.718 1.00 0.00 C ATOM 310 CG ASP A 20 -13.914 -15.822 -10.753 1.00 0.00 C ATOM 311 OD1 ASP A 20 -13.202 -15.588 -11.753 1.00 0.00 O ATOM 312 OD2 ASP A 20 -15.027 -15.287 -10.565 1.00 0.00 O ATOM 0 H ASP A 20 -12.073 -19.381 -8.937 1.00 0.00 H new ATOM 0 HA ASP A 20 -12.689 -17.952 -11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -14.249 -17.300 -9.241 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -12.870 -16.262 -8.937 1.00 0.00 H new ATOM 317 N ASP A 21 -10.355 -17.173 -11.278 1.00 0.00 N ATOM 318 CA ASP A 21 -8.957 -16.754 -11.257 1.00 0.00 C ATOM 319 C ASP A 21 -8.794 -15.369 -11.876 1.00 0.00 C ATOM 320 O ASP A 21 -9.772 -14.734 -12.270 1.00 0.00 O ATOM 321 CB ASP A 21 -8.089 -17.766 -12.007 1.00 0.00 C ATOM 322 CG ASP A 21 -6.729 -17.949 -11.364 1.00 0.00 C ATOM 323 OD1 ASP A 21 -5.800 -17.192 -11.716 1.00 0.00 O ATOM 324 OD2 ASP A 21 -6.591 -18.850 -10.510 1.00 0.00 O ATOM 0 H ASP A 21 -10.760 -17.246 -12.211 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.633 -16.707 -10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.603 -18.726 -12.042 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.959 -17.436 -13.038 1.00 0.00 H new ATOM 329 N ASP A 22 -7.550 -14.908 -11.958 1.00 0.00 N ATOM 330 CA ASP A 22 -7.256 -13.599 -12.530 1.00 0.00 C ATOM 331 C ASP A 22 -6.259 -13.720 -13.678 1.00 0.00 C ATOM 332 O ASP A 22 -6.576 -13.402 -14.824 1.00 0.00 O ATOM 333 CB ASP A 22 -6.702 -12.664 -11.454 1.00 0.00 C ATOM 334 CG ASP A 22 -7.798 -11.938 -10.698 1.00 0.00 C ATOM 335 OD1 ASP A 22 -8.830 -12.573 -10.392 1.00 0.00 O ATOM 336 OD2 ASP A 22 -7.626 -10.734 -10.414 1.00 0.00 O ATOM 0 H ASP A 22 -6.730 -15.421 -11.636 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.184 -13.182 -12.921 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -6.100 -13.240 -10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.039 -11.933 -11.918 1.00 0.00 H new ATOM 341 N ARG A 23 -5.051 -14.182 -13.359 1.00 0.00 N ATOM 342 CA ARG A 23 -3.994 -14.354 -14.353 1.00 0.00 C ATOM 343 C ARG A 23 -3.478 -13.005 -14.850 1.00 0.00 C ATOM 344 O ARG A 23 -2.295 -12.696 -14.715 1.00 0.00 O ATOM 345 CB ARG A 23 -4.491 -15.196 -15.533 1.00 0.00 C ATOM 346 CG ARG A 23 -4.013 -16.640 -15.490 1.00 0.00 C ATOM 347 CD ARG A 23 -3.610 -17.137 -16.870 1.00 0.00 C ATOM 348 NE ARG A 23 -2.474 -18.053 -16.811 1.00 0.00 N ATOM 349 CZ ARG A 23 -1.755 -18.411 -17.872 1.00 0.00 C ATOM 350 NH1 ARG A 23 -2.051 -17.935 -19.075 1.00 0.00 N ATOM 351 NH2 ARG A 23 -0.738 -19.249 -17.730 1.00 0.00 N ATOM 0 H ARG A 23 -4.779 -14.446 -12.412 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.169 -14.879 -13.871 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.581 -15.182 -15.546 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.156 -14.738 -16.463 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.165 -16.723 -14.811 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.804 -17.274 -15.091 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.457 -17.640 -17.336 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.357 -16.286 -17.502 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.217 -18.441 -15.903 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.833 -17.291 -19.190 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.496 -18.213 -19.884 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.507 -19.619 -16.808 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.186 -19.524 -18.543 1.00 0.00 H new ATOM 365 N LYS A 24 -4.371 -12.210 -15.426 1.00 0.00 N ATOM 366 CA LYS A 24 -4.005 -10.896 -15.945 1.00 0.00 C ATOM 367 C LYS A 24 -4.582 -9.785 -15.075 1.00 0.00 C ATOM 368 O LYS A 24 -3.898 -8.811 -14.760 1.00 0.00 O ATOM 369 CB LYS A 24 -4.493 -10.740 -17.386 1.00 0.00 C ATOM 370 CG LYS A 24 -3.519 -9.991 -18.280 1.00 0.00 C ATOM 371 CD LYS A 24 -3.287 -10.722 -19.592 1.00 0.00 C ATOM 372 CE LYS A 24 -2.584 -12.054 -19.374 1.00 0.00 C ATOM 373 NZ LYS A 24 -1.518 -12.291 -20.385 1.00 0.00 N ATOM 0 H LYS A 24 -5.355 -12.451 -15.546 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.918 -10.816 -15.927 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.675 -11.728 -17.808 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.448 -10.214 -17.383 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.905 -8.992 -18.483 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.569 -9.866 -17.760 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.242 -10.891 -20.089 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.688 -10.098 -20.256 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -2.148 -12.075 -18.375 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.314 -12.862 -19.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.030 -13.184 -20.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.944 -12.347 -21.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -0.834 -11.508 -20.359 1.00 0.00 H new ATOM 387 N HIS A 25 -5.844 -9.937 -14.688 1.00 0.00 N ATOM 388 CA HIS A 25 -6.513 -8.945 -13.854 1.00 0.00 C ATOM 389 C HIS A 25 -5.838 -8.827 -12.488 1.00 0.00 C ATOM 390 O HIS A 25 -6.045 -7.850 -11.767 1.00 0.00 O ATOM 391 CB HIS A 25 -7.990 -9.310 -13.679 1.00 0.00 C ATOM 392 CG HIS A 25 -8.929 -8.256 -14.177 1.00 0.00 C ATOM 393 ND1 HIS A 25 -9.065 -7.937 -15.512 1.00 0.00 N ATOM 394 CD2 HIS A 25 -9.784 -7.444 -13.510 1.00 0.00 C ATOM 395 CE1 HIS A 25 -9.962 -6.975 -15.645 1.00 0.00 C ATOM 396 NE2 HIS A 25 -10.412 -6.659 -14.445 1.00 0.00 N ATOM 0 H HIS A 25 -6.424 -10.738 -14.938 1.00 0.00 H new ATOM 0 HA HIS A 25 -6.439 -7.980 -14.355 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.190 -10.243 -14.207 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.188 -9.492 -12.623 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.942 -7.419 -12.442 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -10.273 -6.525 -16.576 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -11.114 -5.946 -14.245 1.00 0.00 H new ATOM 405 N GLU A 26 -5.033 -9.826 -12.134 1.00 0.00 N ATOM 406 CA GLU A 26 -4.334 -9.826 -10.854 1.00 0.00 C ATOM 407 C GLU A 26 -3.234 -8.769 -10.830 1.00 0.00 C ATOM 408 O GLU A 26 -3.162 -7.956 -9.909 1.00 0.00 O ATOM 409 CB GLU A 26 -3.739 -11.209 -10.575 1.00 0.00 C ATOM 410 CG GLU A 26 -4.168 -11.798 -9.241 1.00 0.00 C ATOM 411 CD GLU A 26 -3.456 -11.157 -8.066 1.00 0.00 C ATOM 412 OE1 GLU A 26 -3.242 -9.927 -8.101 1.00 0.00 O ATOM 413 OE2 GLU A 26 -3.113 -11.883 -7.111 1.00 0.00 O ATOM 0 H GLU A 26 -4.850 -10.644 -12.715 1.00 0.00 H new ATOM 0 HA GLU A 26 -5.057 -9.585 -10.075 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.032 -11.890 -11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.652 -11.139 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.244 -11.673 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.970 -12.870 -9.241 1.00 0.00 H new ATOM 420 N ILE A 27 -2.381 -8.785 -11.849 1.00 0.00 N ATOM 421 CA ILE A 27 -1.287 -7.825 -11.942 1.00 0.00 C ATOM 422 C ILE A 27 -1.813 -6.421 -12.221 1.00 0.00 C ATOM 423 O ILE A 27 -1.294 -5.437 -11.693 1.00 0.00 O ATOM 424 CB ILE A 27 -0.283 -8.217 -13.045 1.00 0.00 C ATOM 425 CG1 ILE A 27 0.157 -9.672 -12.874 1.00 0.00 C ATOM 426 CG2 ILE A 27 0.923 -7.288 -13.018 1.00 0.00 C ATOM 427 CD1 ILE A 27 0.785 -10.262 -14.117 1.00 0.00 C ATOM 0 H ILE A 27 -2.426 -9.451 -12.621 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.775 -7.834 -10.980 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.774 -8.117 -14.013 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.870 -9.733 -12.052 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.707 -10.274 -12.592 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.623 -7.577 -13.802 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.596 -6.262 -13.184 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.415 -7.359 -12.048 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.073 -11.295 -13.924 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.067 -10.233 -14.936 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.668 -9.684 -14.388 1.00 0.00 H new ATOM 439 N GLU A 28 -2.848 -6.335 -13.050 1.00 0.00 N ATOM 440 CA GLU A 28 -3.445 -5.050 -13.396 1.00 0.00 C ATOM 441 C GLU A 28 -4.029 -4.376 -12.160 1.00 0.00 C ATOM 442 O GLU A 28 -3.801 -3.190 -11.920 1.00 0.00 O ATOM 443 CB GLU A 28 -4.536 -5.239 -14.453 1.00 0.00 C ATOM 444 CG GLU A 28 -5.047 -3.934 -15.038 1.00 0.00 C ATOM 445 CD GLU A 28 -5.918 -4.146 -16.261 1.00 0.00 C ATOM 446 OE1 GLU A 28 -6.571 -5.206 -16.348 1.00 0.00 O ATOM 447 OE2 GLU A 28 -5.946 -3.251 -17.132 1.00 0.00 O ATOM 0 H GLU A 28 -3.291 -7.139 -13.495 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.663 -4.409 -13.803 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.146 -5.861 -15.259 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.371 -5.780 -14.009 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.617 -3.398 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.199 -3.303 -15.305 1.00 0.00 H new ATOM 454 N ALA A 29 -4.782 -5.141 -11.376 1.00 0.00 N ATOM 455 CA ALA A 29 -5.398 -4.619 -10.163 1.00 0.00 C ATOM 456 C ALA A 29 -4.340 -4.152 -9.169 1.00 0.00 C ATOM 457 O ALA A 29 -4.547 -3.186 -8.434 1.00 0.00 O ATOM 458 CB ALA A 29 -6.291 -5.674 -9.529 1.00 0.00 C ATOM 0 H ALA A 29 -4.980 -6.125 -11.560 1.00 0.00 H new ATOM 0 HA ALA A 29 -6.009 -3.758 -10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.745 -5.270 -8.624 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.074 -5.958 -10.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.695 -6.551 -9.276 1.00 0.00 H new ATOM 464 N ALA A 30 -3.205 -4.844 -9.153 1.00 0.00 N ATOM 465 CA ALA A 30 -2.114 -4.501 -8.250 1.00 0.00 C ATOM 466 C ALA A 30 -1.612 -3.084 -8.510 1.00 0.00 C ATOM 467 O ALA A 30 -1.271 -2.356 -7.579 1.00 0.00 O ATOM 468 CB ALA A 30 -0.976 -5.500 -8.394 1.00 0.00 C ATOM 0 H ALA A 30 -3.018 -5.645 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.493 -4.543 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.168 -5.231 -7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.337 -6.500 -8.152 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.607 -5.486 -9.419 1.00 0.00 H new ATOM 474 N ILE A 31 -1.573 -2.701 -9.781 1.00 0.00 N ATOM 475 CA ILE A 31 -1.116 -1.370 -10.164 1.00 0.00 C ATOM 476 C ILE A 31 -2.063 -0.296 -9.641 1.00 0.00 C ATOM 477 O ILE A 31 -1.628 0.735 -9.127 1.00 0.00 O ATOM 478 CB ILE A 31 -0.993 -1.234 -11.694 1.00 0.00 C ATOM 479 CG1 ILE A 31 -0.152 -2.376 -12.265 1.00 0.00 C ATOM 480 CG2 ILE A 31 -0.384 0.112 -12.062 1.00 0.00 C ATOM 481 CD1 ILE A 31 0.008 -2.316 -13.769 1.00 0.00 C ATOM 0 H ILE A 31 -1.852 -3.293 -10.564 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.131 -1.232 -9.718 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.992 -1.290 -12.127 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.834 -2.357 -11.802 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.613 -3.326 -11.994 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.304 0.191 -13.146 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.019 0.914 -11.685 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.608 0.196 -11.618 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.616 -3.157 -14.104 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.973 -2.366 -14.242 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.497 -1.382 -14.046 1.00 0.00 H new ATOM 493 N VAL A 32 -3.362 -0.544 -9.777 1.00 0.00 N ATOM 494 CA VAL A 32 -4.372 0.402 -9.318 1.00 0.00 C ATOM 495 C VAL A 32 -4.348 0.539 -7.799 1.00 0.00 C ATOM 496 O VAL A 32 -4.651 1.602 -7.258 1.00 0.00 O ATOM 497 CB VAL A 32 -5.784 -0.024 -9.761 1.00 0.00 C ATOM 498 CG1 VAL A 32 -6.795 1.070 -9.450 1.00 0.00 C ATOM 499 CG2 VAL A 32 -5.798 -0.370 -11.242 1.00 0.00 C ATOM 0 H VAL A 32 -3.739 -1.391 -10.201 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.132 1.364 -9.771 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.067 -0.916 -9.202 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.787 0.751 -9.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.805 1.262 -8.377 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.519 1.982 -9.980 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.804 -0.669 -11.536 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.494 0.501 -11.822 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.106 -1.191 -11.430 1.00 0.00 H new ATOM 509 N ARG A 33 -3.987 -0.543 -7.118 1.00 0.00 N ATOM 510 CA ARG A 33 -3.926 -0.544 -5.662 1.00 0.00 C ATOM 511 C ARG A 33 -2.778 0.330 -5.165 1.00 0.00 C ATOM 512 O ARG A 33 -2.938 1.107 -4.223 1.00 0.00 O ATOM 513 CB ARG A 33 -3.759 -1.971 -5.137 1.00 0.00 C ATOM 514 CG ARG A 33 -4.509 -2.235 -3.842 1.00 0.00 C ATOM 515 CD ARG A 33 -4.596 -3.722 -3.542 1.00 0.00 C ATOM 516 NE ARG A 33 -5.808 -4.061 -2.800 1.00 0.00 N ATOM 517 CZ ARG A 33 -5.953 -3.874 -1.489 1.00 0.00 C ATOM 518 NH1 ARG A 33 -4.964 -3.352 -0.773 1.00 0.00 N ATOM 519 NH2 ARG A 33 -7.089 -4.210 -0.893 1.00 0.00 N ATOM 0 H ARG A 33 -3.732 -1.430 -7.551 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.862 -0.133 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.105 -2.672 -5.897 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.699 -2.170 -4.980 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.007 -1.726 -3.019 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.513 -1.817 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.575 -4.282 -4.477 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.722 -4.028 -2.967 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.589 -4.465 -3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.088 -3.092 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.080 -3.211 0.230 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.852 -4.612 -1.438 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -7.200 -4.067 0.111 1.00 0.00 H new ATOM 533 N ILE A 34 -1.620 0.198 -5.804 1.00 0.00 N ATOM 534 CA ILE A 34 -0.446 0.974 -5.427 1.00 0.00 C ATOM 535 C ILE A 34 -0.597 2.435 -5.840 1.00 0.00 C ATOM 536 O ILE A 34 -0.399 3.342 -5.033 1.00 0.00 O ATOM 537 CB ILE A 34 0.836 0.401 -6.064 1.00 0.00 C ATOM 538 CG1 ILE A 34 0.942 -1.100 -5.789 1.00 0.00 C ATOM 539 CG2 ILE A 34 2.063 1.130 -5.536 1.00 0.00 C ATOM 540 CD1 ILE A 34 1.886 -1.821 -6.725 1.00 0.00 C ATOM 0 H ILE A 34 -1.470 -0.440 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.362 0.913 -4.342 1.00 0.00 H new ATOM 0 HB ILE A 34 0.785 0.551 -7.142 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.276 -1.250 -4.762 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.049 -1.547 -5.870 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.959 0.714 -5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.989 2.190 -5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.120 1.009 -4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.911 -2.881 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.541 -1.702 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.887 -1.401 -6.627 1.00 0.00 H new ATOM 552 N MET A 35 -0.952 2.654 -7.103 1.00 0.00 N ATOM 553 CA MET A 35 -1.132 4.005 -7.625 1.00 0.00 C ATOM 554 C MET A 35 -2.160 4.778 -6.802 1.00 0.00 C ATOM 555 O MET A 35 -2.096 6.004 -6.705 1.00 0.00 O ATOM 556 CB MET A 35 -1.569 3.955 -9.090 1.00 0.00 C ATOM 557 CG MET A 35 -0.492 3.452 -10.039 1.00 0.00 C ATOM 558 SD MET A 35 1.077 4.315 -9.843 1.00 0.00 S ATOM 559 CE MET A 35 1.048 5.354 -11.296 1.00 0.00 C ATOM 0 H MET A 35 -1.121 1.913 -7.784 1.00 0.00 H new ATOM 0 HA MET A 35 -0.175 4.523 -7.555 1.00 0.00 H new ATOM 0 HB2 MET A 35 -2.444 3.311 -9.176 1.00 0.00 H new ATOM 0 HB3 MET A 35 -1.876 4.953 -9.401 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.337 2.386 -9.872 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.838 3.567 -11.066 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.978 5.920 -11.357 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.942 4.733 -12.185 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.207 6.044 -11.233 1.00 0.00 H new ATOM 569 N LYS A 36 -3.107 4.054 -6.215 1.00 0.00 N ATOM 570 CA LYS A 36 -4.148 4.673 -5.404 1.00 0.00 C ATOM 571 C LYS A 36 -3.545 5.429 -4.223 1.00 0.00 C ATOM 572 O LYS A 36 -3.882 6.587 -3.977 1.00 0.00 O ATOM 573 CB LYS A 36 -5.130 3.612 -4.901 1.00 0.00 C ATOM 574 CG LYS A 36 -6.567 3.864 -5.324 1.00 0.00 C ATOM 575 CD LYS A 36 -7.058 5.221 -4.846 1.00 0.00 C ATOM 576 CE LYS A 36 -8.513 5.164 -4.408 1.00 0.00 C ATOM 577 NZ LYS A 36 -9.033 6.508 -4.035 1.00 0.00 N ATOM 0 H LYS A 36 -3.175 3.039 -6.286 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.684 5.387 -6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.817 2.635 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.082 3.571 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.643 3.810 -6.410 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.209 3.081 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.440 5.561 -4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -6.946 5.952 -5.646 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.119 4.751 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.610 4.488 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.028 6.426 -3.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.471 6.892 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.964 7.146 -4.853 1.00 0.00 H new ATOM 591 N SER A 37 -2.654 4.765 -3.495 1.00 0.00 N ATOM 592 CA SER A 37 -2.007 5.374 -2.338 1.00 0.00 C ATOM 593 C SER A 37 -0.736 6.113 -2.746 1.00 0.00 C ATOM 594 O SER A 37 -0.518 7.257 -2.347 1.00 0.00 O ATOM 595 CB SER A 37 -1.676 4.306 -1.293 1.00 0.00 C ATOM 596 OG SER A 37 -2.835 3.581 -0.919 1.00 0.00 O ATOM 0 H SER A 37 -2.363 3.806 -3.685 1.00 0.00 H new ATOM 0 HA SER A 37 -2.700 6.096 -1.906 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.928 3.621 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.238 4.777 -0.413 1.00 0.00 H new ATOM 0 HG SER A 37 -2.596 2.904 -0.252 1.00 0.00 H new ATOM 602 N ARG A 38 0.099 5.453 -3.541 1.00 0.00 N ATOM 603 CA ARG A 38 1.347 6.051 -4.001 1.00 0.00 C ATOM 604 C ARG A 38 1.080 7.264 -4.885 1.00 0.00 C ATOM 605 O ARG A 38 1.872 8.205 -4.921 1.00 0.00 O ATOM 606 CB ARG A 38 2.179 5.020 -4.768 1.00 0.00 C ATOM 607 CG ARG A 38 2.952 4.071 -3.868 1.00 0.00 C ATOM 608 CD ARG A 38 4.234 3.593 -4.532 1.00 0.00 C ATOM 609 NE ARG A 38 5.097 2.871 -3.601 1.00 0.00 N ATOM 610 CZ ARG A 38 5.886 3.464 -2.709 1.00 0.00 C ATOM 611 NH1 ARG A 38 5.922 4.788 -2.621 1.00 0.00 N ATOM 612 NH2 ARG A 38 6.639 2.732 -1.899 1.00 0.00 N ATOM 0 H ARG A 38 -0.065 4.505 -3.880 1.00 0.00 H new ATOM 0 HA ARG A 38 1.905 6.381 -3.125 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.519 4.439 -5.412 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.880 5.543 -5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.192 4.572 -2.930 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.327 3.213 -3.621 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.987 2.946 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.774 4.449 -4.937 1.00 0.00 H new ATOM 0 HE ARG A 38 5.095 1.852 -3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.343 5.356 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.529 5.237 -1.935 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.613 1.714 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.244 3.187 -1.215 1.00 0.00 H new ATOM 626 N LYS A 39 -0.044 7.235 -5.598 1.00 0.00 N ATOM 627 CA LYS A 39 -0.420 8.331 -6.486 1.00 0.00 C ATOM 628 C LYS A 39 0.514 8.403 -7.690 1.00 0.00 C ATOM 629 O LYS A 39 0.104 8.149 -8.822 1.00 0.00 O ATOM 630 CB LYS A 39 -0.406 9.664 -5.732 1.00 0.00 C ATOM 631 CG LYS A 39 -1.131 9.616 -4.398 1.00 0.00 C ATOM 632 CD LYS A 39 -2.573 10.082 -4.532 1.00 0.00 C ATOM 633 CE LYS A 39 -3.149 10.499 -3.188 1.00 0.00 C ATOM 634 NZ LYS A 39 -3.685 9.336 -2.428 1.00 0.00 N ATOM 0 H LYS A 39 -0.710 6.463 -5.577 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.431 8.139 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.628 9.966 -5.563 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.864 10.430 -6.357 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.111 8.598 -4.008 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.610 10.245 -3.676 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -2.623 10.920 -5.227 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.178 9.280 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.376 10.992 -2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.944 11.228 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.654 9.544 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.692 8.495 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.083 9.156 -1.599 1.00 0.00 H new ATOM 648 N LYS A 40 1.772 8.750 -7.437 1.00 0.00 N ATOM 649 CA LYS A 40 2.764 8.854 -8.501 1.00 0.00 C ATOM 650 C LYS A 40 3.823 7.764 -8.365 1.00 0.00 C ATOM 651 O LYS A 40 4.416 7.591 -7.300 1.00 0.00 O ATOM 652 CB LYS A 40 3.428 10.231 -8.478 1.00 0.00 C ATOM 653 CG LYS A 40 4.455 10.430 -9.580 1.00 0.00 C ATOM 654 CD LYS A 40 4.705 11.905 -9.849 1.00 0.00 C ATOM 655 CE LYS A 40 6.172 12.178 -10.139 1.00 0.00 C ATOM 656 NZ LYS A 40 7.039 11.842 -8.976 1.00 0.00 N ATOM 0 H LYS A 40 2.128 8.964 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 40 2.252 8.723 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.658 10.998 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 3.911 10.376 -7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.391 9.947 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.109 9.946 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.099 12.229 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.388 12.492 -8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.485 11.596 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.302 13.229 -10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.883 12.450 -8.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.511 11.995 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.330 10.845 -9.036 1.00 0.00 H new ATOM 670 N MET A 41 4.053 7.031 -9.450 1.00 0.00 N ATOM 671 CA MET A 41 5.040 5.958 -9.451 1.00 0.00 C ATOM 672 C MET A 41 5.848 5.965 -10.744 1.00 0.00 C ATOM 673 O MET A 41 5.481 6.628 -11.714 1.00 0.00 O ATOM 674 CB MET A 41 4.350 4.604 -9.274 1.00 0.00 C ATOM 675 CG MET A 41 5.216 3.565 -8.580 1.00 0.00 C ATOM 676 SD MET A 41 4.254 2.194 -7.913 1.00 0.00 S ATOM 677 CE MET A 41 5.558 1.136 -7.291 1.00 0.00 C ATOM 0 H MET A 41 3.570 7.161 -10.339 1.00 0.00 H new ATOM 0 HA MET A 41 5.722 6.123 -8.617 1.00 0.00 H new ATOM 0 HB2 MET A 41 3.435 4.745 -8.699 1.00 0.00 H new ATOM 0 HB3 MET A 41 4.056 4.225 -10.253 1.00 0.00 H new ATOM 0 HG2 MET A 41 5.950 3.179 -9.287 1.00 0.00 H new ATOM 0 HG3 MET A 41 5.771 4.041 -7.772 1.00 0.00 H new ATOM 0 HE1 MET A 41 5.165 0.133 -7.126 1.00 0.00 H new ATOM 0 HE2 MET A 41 6.369 1.093 -8.018 1.00 0.00 H new ATOM 0 HE3 MET A 41 5.934 1.537 -6.350 1.00 0.00 H new ATOM 687 N GLN A 42 6.950 5.223 -10.751 1.00 0.00 N ATOM 688 CA GLN A 42 7.810 5.144 -11.926 1.00 0.00 C ATOM 689 C GLN A 42 7.588 3.834 -12.675 1.00 0.00 C ATOM 690 O GLN A 42 6.698 3.055 -12.333 1.00 0.00 O ATOM 691 CB GLN A 42 9.280 5.273 -11.518 1.00 0.00 C ATOM 692 CG GLN A 42 9.985 6.462 -12.151 1.00 0.00 C ATOM 693 CD GLN A 42 11.485 6.268 -12.243 1.00 0.00 C ATOM 694 OE1 GLN A 42 12.119 5.784 -11.305 1.00 0.00 O ATOM 695 NE2 GLN A 42 12.061 6.648 -13.378 1.00 0.00 N ATOM 0 H GLN A 42 7.269 4.668 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 42 7.553 5.968 -12.591 1.00 0.00 H new ATOM 0 HB2 GLN A 42 9.341 5.360 -10.433 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.807 4.360 -11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.582 6.629 -13.150 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.773 7.358 -11.568 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.496 7.044 -14.129 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.068 6.543 -13.499 1.00 0.00 H new ATOM 704 N HIS A 43 8.403 3.598 -13.698 1.00 0.00 N ATOM 705 CA HIS A 43 8.294 2.382 -14.495 1.00 0.00 C ATOM 706 C HIS A 43 8.983 1.212 -13.800 1.00 0.00 C ATOM 707 O HIS A 43 8.372 0.169 -13.569 1.00 0.00 O ATOM 708 CB HIS A 43 8.908 2.600 -15.880 1.00 0.00 C ATOM 709 CG HIS A 43 8.439 1.613 -16.903 1.00 0.00 C ATOM 710 ND1 HIS A 43 8.389 0.255 -16.672 1.00 0.00 N ATOM 711 CD2 HIS A 43 7.996 1.793 -18.170 1.00 0.00 C ATOM 712 CE1 HIS A 43 7.936 -0.358 -17.752 1.00 0.00 C ATOM 713 NE2 HIS A 43 7.689 0.554 -18.675 1.00 0.00 N ATOM 0 H HIS A 43 9.145 4.232 -13.994 1.00 0.00 H new ATOM 0 HA HIS A 43 7.236 2.143 -14.606 1.00 0.00 H new ATOM 0 HB2 HIS A 43 8.667 3.607 -16.221 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.994 2.541 -15.801 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.902 2.736 -18.687 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.792 -1.423 -17.861 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.329 0.368 -19.611 1.00 0.00 H new ATOM 722 N ASN A 44 10.257 1.393 -13.469 1.00 0.00 N ATOM 723 CA ASN A 44 11.028 0.351 -12.800 1.00 0.00 C ATOM 724 C ASN A 44 10.482 0.086 -11.400 1.00 0.00 C ATOM 725 O ASN A 44 10.410 -1.061 -10.958 1.00 0.00 O ATOM 726 CB ASN A 44 12.503 0.750 -12.723 1.00 0.00 C ATOM 727 CG ASN A 44 13.420 -0.303 -13.316 1.00 0.00 C ATOM 728 OD1 ASN A 44 13.398 -0.553 -14.521 1.00 0.00 O ATOM 729 ND2 ASN A 44 14.230 -0.926 -12.469 1.00 0.00 N ATOM 0 H ASN A 44 10.777 2.251 -13.653 1.00 0.00 H new ATOM 0 HA ASN A 44 10.939 -0.566 -13.383 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.649 1.693 -13.250 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.776 0.921 -11.682 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.869 -1.645 -12.809 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.214 -0.686 -11.478 1.00 0.00 H new ATOM 736 N VAL A 45 10.100 1.153 -10.707 1.00 0.00 N ATOM 737 CA VAL A 45 9.561 1.034 -9.358 1.00 0.00 C ATOM 738 C VAL A 45 8.273 0.218 -9.356 1.00 0.00 C ATOM 739 O VAL A 45 8.088 -0.667 -8.519 1.00 0.00 O ATOM 740 CB VAL A 45 9.284 2.418 -8.738 1.00 0.00 C ATOM 741 CG1 VAL A 45 8.827 2.278 -7.293 1.00 0.00 C ATOM 742 CG2 VAL A 45 10.519 3.301 -8.830 1.00 0.00 C ATOM 0 H VAL A 45 10.154 2.109 -11.057 1.00 0.00 H new ATOM 0 HA VAL A 45 10.314 0.523 -8.758 1.00 0.00 H new ATOM 0 HB VAL A 45 8.482 2.893 -9.303 1.00 0.00 H new ATOM 0 HG11 VAL A 45 8.637 3.266 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.912 1.686 -7.256 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.604 1.781 -6.712 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.305 4.274 -8.387 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.343 2.831 -8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.796 3.431 -9.876 1.00 0.00 H new ATOM 752 N LEU A 46 7.386 0.519 -10.297 1.00 0.00 N ATOM 753 CA LEU A 46 6.116 -0.189 -10.406 1.00 0.00 C ATOM 754 C LEU A 46 6.344 -1.666 -10.715 1.00 0.00 C ATOM 755 O LEU A 46 5.631 -2.533 -10.213 1.00 0.00 O ATOM 756 CB LEU A 46 5.247 0.444 -11.494 1.00 0.00 C ATOM 757 CG LEU A 46 3.908 -0.253 -11.742 1.00 0.00 C ATOM 758 CD1 LEU A 46 2.883 0.177 -10.705 1.00 0.00 C ATOM 759 CD2 LEU A 46 3.406 0.042 -13.147 1.00 0.00 C ATOM 0 H LEU A 46 7.523 1.249 -10.996 1.00 0.00 H new ATOM 0 HA LEU A 46 5.600 -0.111 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.054 1.482 -11.225 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.811 0.456 -12.427 1.00 0.00 H new ATOM 0 HG LEU A 46 4.057 -1.329 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.937 -0.329 -10.897 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.240 -0.087 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.736 1.255 -10.764 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.453 -0.462 -13.306 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.273 1.117 -13.268 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.132 -0.318 -13.876 1.00 0.00 H new ATOM 771 N VAL A 47 7.344 -1.941 -11.546 1.00 0.00 N ATOM 772 CA VAL A 47 7.669 -3.310 -11.923 1.00 0.00 C ATOM 773 C VAL A 47 8.274 -4.076 -10.751 1.00 0.00 C ATOM 774 O VAL A 47 7.881 -5.208 -10.468 1.00 0.00 O ATOM 775 CB VAL A 47 8.655 -3.343 -13.109 1.00 0.00 C ATOM 776 CG1 VAL A 47 8.883 -4.771 -13.582 1.00 0.00 C ATOM 777 CG2 VAL A 47 8.149 -2.472 -14.250 1.00 0.00 C ATOM 0 H VAL A 47 7.943 -1.233 -11.971 1.00 0.00 H new ATOM 0 HA VAL A 47 6.735 -3.788 -12.220 1.00 0.00 H new ATOM 0 HB VAL A 47 9.610 -2.942 -12.770 1.00 0.00 H new ATOM 0 HG11 VAL A 47 9.581 -4.770 -14.419 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.296 -5.363 -12.765 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.935 -5.204 -13.901 1.00 0.00 H new ATOM 0 HG21 VAL A 47 8.858 -2.508 -15.077 1.00 0.00 H new ATOM 0 HG22 VAL A 47 7.180 -2.840 -14.586 1.00 0.00 H new ATOM 0 HG23 VAL A 47 8.047 -1.443 -13.905 1.00 0.00 H new ATOM 787 N ALA A 48 9.233 -3.454 -10.075 1.00 0.00 N ATOM 788 CA ALA A 48 9.894 -4.077 -8.935 1.00 0.00 C ATOM 789 C ALA A 48 8.920 -4.307 -7.784 1.00 0.00 C ATOM 790 O ALA A 48 9.065 -5.259 -7.018 1.00 0.00 O ATOM 791 CB ALA A 48 11.063 -3.221 -8.473 1.00 0.00 C ATOM 0 H ALA A 48 9.570 -2.517 -10.297 1.00 0.00 H new ATOM 0 HA ALA A 48 10.269 -5.049 -9.255 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.548 -3.697 -7.621 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.780 -3.115 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.699 -2.236 -8.180 1.00 0.00 H new ATOM 797 N GLU A 49 7.934 -3.427 -7.663 1.00 0.00 N ATOM 798 CA GLU A 49 6.942 -3.533 -6.599 1.00 0.00 C ATOM 799 C GLU A 49 5.837 -4.520 -6.966 1.00 0.00 C ATOM 800 O GLU A 49 5.581 -5.477 -6.237 1.00 0.00 O ATOM 801 CB GLU A 49 6.339 -2.158 -6.299 1.00 0.00 C ATOM 802 CG GLU A 49 6.995 -1.449 -5.124 1.00 0.00 C ATOM 803 CD GLU A 49 8.506 -1.398 -5.240 1.00 0.00 C ATOM 804 OE1 GLU A 49 9.007 -0.803 -6.218 1.00 0.00 O ATOM 805 OE2 GLU A 49 9.189 -1.951 -4.353 1.00 0.00 O ATOM 0 H GLU A 49 7.799 -2.632 -8.288 1.00 0.00 H new ATOM 0 HA GLU A 49 7.446 -3.906 -5.708 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.427 -1.531 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.275 -2.274 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.606 -0.433 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.723 -1.959 -4.200 1.00 0.00 H new ATOM 812 N VAL A 50 5.184 -4.281 -8.098 1.00 0.00 N ATOM 813 CA VAL A 50 4.106 -5.150 -8.555 1.00 0.00 C ATOM 814 C VAL A 50 4.596 -6.584 -8.742 1.00 0.00 C ATOM 815 O VAL A 50 3.952 -7.532 -8.292 1.00 0.00 O ATOM 816 CB VAL A 50 3.499 -4.644 -9.880 1.00 0.00 C ATOM 817 CG1 VAL A 50 2.355 -5.544 -10.328 1.00 0.00 C ATOM 818 CG2 VAL A 50 3.024 -3.206 -9.735 1.00 0.00 C ATOM 0 H VAL A 50 5.382 -3.494 -8.715 1.00 0.00 H new ATOM 0 HA VAL A 50 3.336 -5.132 -7.784 1.00 0.00 H new ATOM 0 HB VAL A 50 4.275 -4.674 -10.645 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.942 -5.169 -11.264 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.726 -6.558 -10.476 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.577 -5.550 -9.565 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.599 -2.866 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.265 -3.150 -8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.867 -2.570 -9.467 1.00 0.00 H new ATOM 828 N THR A 51 5.734 -6.736 -9.410 1.00 0.00 N ATOM 829 CA THR A 51 6.305 -8.056 -9.655 1.00 0.00 C ATOM 830 C THR A 51 6.598 -8.777 -8.342 1.00 0.00 C ATOM 831 O THR A 51 6.182 -9.918 -8.143 1.00 0.00 O ATOM 832 CB THR A 51 7.586 -7.937 -10.483 1.00 0.00 C ATOM 833 OG1 THR A 51 7.328 -7.281 -11.712 1.00 0.00 O ATOM 834 CG2 THR A 51 8.220 -9.274 -10.801 1.00 0.00 C ATOM 0 H THR A 51 6.279 -5.963 -9.791 1.00 0.00 H new ATOM 0 HA THR A 51 5.574 -8.641 -10.213 1.00 0.00 H new ATOM 0 HB THR A 51 8.277 -7.363 -9.866 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.238 -6.318 -11.556 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.124 -9.117 -11.390 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.476 -9.785 -9.873 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.518 -9.884 -11.369 1.00 0.00 H new ATOM 842 N GLN A 52 7.318 -8.105 -7.449 1.00 0.00 N ATOM 843 CA GLN A 52 7.666 -8.685 -6.156 1.00 0.00 C ATOM 844 C GLN A 52 6.421 -8.902 -5.303 1.00 0.00 C ATOM 845 O GLN A 52 6.262 -9.948 -4.674 1.00 0.00 O ATOM 846 CB GLN A 52 8.654 -7.781 -5.416 1.00 0.00 C ATOM 847 CG GLN A 52 10.081 -7.894 -5.926 1.00 0.00 C ATOM 848 CD GLN A 52 11.062 -8.281 -4.835 1.00 0.00 C ATOM 849 OE1 GLN A 52 11.242 -9.462 -4.537 1.00 0.00 O ATOM 850 NE2 GLN A 52 11.702 -7.284 -4.234 1.00 0.00 N ATOM 0 H GLN A 52 7.671 -7.160 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 52 8.134 -9.653 -6.336 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.325 -6.746 -5.507 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.636 -8.029 -4.355 1.00 0.00 H new ATOM 0 HG2 GLN A 52 10.120 -8.635 -6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.384 -6.941 -6.361 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.521 -6.320 -4.514 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.374 -7.483 -3.493 1.00 0.00 H new ATOM 859 N GLN A 53 5.541 -7.906 -5.285 1.00 0.00 N ATOM 860 CA GLN A 53 4.309 -7.989 -4.508 1.00 0.00 C ATOM 861 C GLN A 53 3.458 -9.171 -4.961 1.00 0.00 C ATOM 862 O GLN A 53 2.729 -9.765 -4.165 1.00 0.00 O ATOM 863 CB GLN A 53 3.511 -6.691 -4.638 1.00 0.00 C ATOM 864 CG GLN A 53 3.991 -5.586 -3.711 1.00 0.00 C ATOM 865 CD GLN A 53 2.966 -4.483 -3.537 1.00 0.00 C ATOM 866 OE1 GLN A 53 1.777 -4.680 -3.788 1.00 0.00 O ATOM 867 NE2 GLN A 53 3.423 -3.312 -3.108 1.00 0.00 N ATOM 0 H GLN A 53 5.658 -7.033 -5.799 1.00 0.00 H new ATOM 0 HA GLN A 53 4.578 -8.138 -3.462 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.569 -6.340 -5.668 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.461 -6.897 -4.430 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.229 -6.012 -2.737 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.913 -5.160 -4.106 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.417 -3.193 -2.912 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.780 -2.532 -2.974 1.00 0.00 H new ATOM 876 N LEU A 54 3.555 -9.508 -6.243 1.00 0.00 N ATOM 877 CA LEU A 54 2.794 -10.619 -6.801 1.00 0.00 C ATOM 878 C LEU A 54 3.715 -11.775 -7.178 1.00 0.00 C ATOM 879 O LEU A 54 3.460 -12.496 -8.143 1.00 0.00 O ATOM 880 CB LEU A 54 2.006 -10.159 -8.028 1.00 0.00 C ATOM 881 CG LEU A 54 0.950 -9.087 -7.756 1.00 0.00 C ATOM 882 CD1 LEU A 54 0.695 -8.258 -9.005 1.00 0.00 C ATOM 883 CD2 LEU A 54 -0.341 -9.724 -7.264 1.00 0.00 C ATOM 0 H LEU A 54 4.153 -9.027 -6.915 1.00 0.00 H new ATOM 0 HA LEU A 54 2.097 -10.968 -6.039 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.708 -9.776 -8.769 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.516 -11.026 -8.472 1.00 0.00 H new ATOM 0 HG LEU A 54 1.326 -8.424 -6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.059 -7.501 -8.791 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.620 -7.772 -9.314 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.341 -8.907 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.081 -8.947 -7.075 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.720 -10.410 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.148 -10.272 -6.342 1.00 0.00 H new ATOM 895 N LYS A 55 4.787 -11.946 -6.411 1.00 0.00 N ATOM 896 CA LYS A 55 5.746 -13.015 -6.665 1.00 0.00 C ATOM 897 C LYS A 55 5.507 -14.194 -5.725 1.00 0.00 C ATOM 898 O LYS A 55 5.649 -15.351 -6.117 1.00 0.00 O ATOM 899 CB LYS A 55 7.176 -12.496 -6.501 1.00 0.00 C ATOM 900 CG LYS A 55 7.843 -12.125 -7.817 1.00 0.00 C ATOM 901 CD LYS A 55 8.977 -13.078 -8.157 1.00 0.00 C ATOM 902 CE LYS A 55 8.456 -14.367 -8.772 1.00 0.00 C ATOM 903 NZ LYS A 55 8.581 -14.366 -10.256 1.00 0.00 N ATOM 0 H LYS A 55 5.013 -11.358 -5.609 1.00 0.00 H new ATOM 0 HA LYS A 55 5.608 -13.358 -7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.164 -11.622 -5.850 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.775 -13.257 -6.001 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.103 -12.139 -8.617 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.228 -11.107 -7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.664 -12.594 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.544 -13.307 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.007 -15.213 -8.362 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.410 -14.504 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.865 -15.312 -10.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.666 -14.114 -10.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.299 -13.671 -10.543 1.00 0.00 H new ATOM 917 N ALA A 56 5.143 -13.889 -4.483 1.00 0.00 N ATOM 918 CA ALA A 56 4.885 -14.922 -3.489 1.00 0.00 C ATOM 919 C ALA A 56 3.722 -15.814 -3.913 1.00 0.00 C ATOM 920 O ALA A 56 3.697 -17.006 -3.608 1.00 0.00 O ATOM 921 CB ALA A 56 4.600 -14.290 -2.134 1.00 0.00 C ATOM 0 H ALA A 56 5.021 -12.935 -4.142 1.00 0.00 H new ATOM 0 HA ALA A 56 5.776 -15.545 -3.408 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.409 -15.073 -1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.461 -13.700 -1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.726 -13.643 -2.211 1.00 0.00 H new ATOM 927 N ARG A 57 2.762 -15.227 -4.620 1.00 0.00 N ATOM 928 CA ARG A 57 1.595 -15.967 -5.087 1.00 0.00 C ATOM 929 C ARG A 57 1.921 -16.750 -6.356 1.00 0.00 C ATOM 930 O ARG A 57 1.928 -17.980 -6.353 1.00 0.00 O ATOM 931 CB ARG A 57 0.430 -15.009 -5.346 1.00 0.00 C ATOM 932 CG ARG A 57 -0.841 -15.381 -4.598 1.00 0.00 C ATOM 933 CD ARG A 57 -2.040 -14.605 -5.118 1.00 0.00 C ATOM 934 NE ARG A 57 -1.987 -13.195 -4.739 1.00 0.00 N ATOM 935 CZ ARG A 57 -2.320 -12.738 -3.535 1.00 0.00 C ATOM 936 NH1 ARG A 57 -2.730 -13.575 -2.589 1.00 0.00 N ATOM 937 NH2 ARG A 57 -2.241 -11.441 -3.273 1.00 0.00 N ATOM 0 H ARG A 57 2.769 -14.241 -4.882 1.00 0.00 H new ATOM 0 HA ARG A 57 1.307 -16.675 -4.310 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.729 -14.001 -5.059 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.219 -14.987 -6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -1.026 -16.450 -4.701 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.710 -15.181 -3.534 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.081 -14.687 -6.204 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.956 -15.050 -4.730 1.00 0.00 H new ATOM 0 HE ARG A 57 -1.676 -12.521 -5.439 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.791 -14.574 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.984 -13.218 -1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.925 -10.793 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.496 -11.091 -2.350 1.00 0.00 H new ATOM 951 N PHE A 58 2.189 -16.027 -7.437 1.00 0.00 N ATOM 952 CA PHE A 58 2.516 -16.652 -8.715 1.00 0.00 C ATOM 953 C PHE A 58 3.775 -16.036 -9.315 1.00 0.00 C ATOM 954 O PHE A 58 4.406 -15.172 -8.707 1.00 0.00 O ATOM 955 CB PHE A 58 1.345 -16.511 -9.692 1.00 0.00 C ATOM 956 CG PHE A 58 0.686 -15.162 -9.652 1.00 0.00 C ATOM 957 CD1 PHE A 58 1.181 -14.111 -10.407 1.00 0.00 C ATOM 958 CD2 PHE A 58 -0.431 -14.945 -8.861 1.00 0.00 C ATOM 959 CE1 PHE A 58 0.575 -12.869 -10.373 1.00 0.00 C ATOM 960 CE2 PHE A 58 -1.041 -13.706 -8.822 1.00 0.00 C ATOM 961 CZ PHE A 58 -0.537 -12.666 -9.579 1.00 0.00 C ATOM 0 H PHE A 58 2.187 -15.007 -7.455 1.00 0.00 H new ATOM 0 HA PHE A 58 2.703 -17.711 -8.536 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.702 -16.701 -10.704 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.602 -17.276 -9.467 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.050 -14.264 -11.029 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.830 -15.755 -8.268 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.971 -12.058 -10.967 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.911 -13.551 -8.201 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.011 -11.696 -9.550 1.00 0.00 H new ATOM 971 N LEU A 59 4.137 -16.488 -10.513 1.00 0.00 N ATOM 972 CA LEU A 59 5.323 -15.981 -11.194 1.00 0.00 C ATOM 973 C LEU A 59 4.938 -15.066 -12.354 1.00 0.00 C ATOM 974 O LEU A 59 4.912 -15.491 -13.509 1.00 0.00 O ATOM 975 CB LEU A 59 6.176 -17.142 -11.709 1.00 0.00 C ATOM 976 CG LEU A 59 7.033 -17.836 -10.649 1.00 0.00 C ATOM 977 CD1 LEU A 59 6.158 -18.422 -9.553 1.00 0.00 C ATOM 978 CD2 LEU A 59 7.891 -18.920 -11.286 1.00 0.00 C ATOM 0 H LEU A 59 3.626 -17.203 -11.031 1.00 0.00 H new ATOM 0 HA LEU A 59 5.903 -15.402 -10.475 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.518 -17.882 -12.164 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.831 -16.770 -12.497 1.00 0.00 H new ATOM 0 HG LEU A 59 7.693 -17.094 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.786 -18.911 -8.809 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.587 -17.624 -9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 59 5.473 -19.151 -9.985 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.495 -19.404 -10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.248 -19.660 -11.762 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.546 -18.473 -12.034 1.00 0.00 H new ATOM 990 N PRO A 60 4.632 -13.790 -12.060 1.00 0.00 N ATOM 991 CA PRO A 60 4.248 -12.814 -13.085 1.00 0.00 C ATOM 992 C PRO A 60 5.419 -12.428 -13.982 1.00 0.00 C ATOM 993 O PRO A 60 6.471 -13.067 -13.956 1.00 0.00 O ATOM 994 CB PRO A 60 3.778 -11.608 -12.271 1.00 0.00 C ATOM 995 CG PRO A 60 4.498 -11.725 -10.973 1.00 0.00 C ATOM 996 CD PRO A 60 4.637 -13.199 -10.708 1.00 0.00 C ATOM 0 HA PRO A 60 3.489 -13.209 -13.760 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.019 -10.672 -12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.698 -11.624 -12.127 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.475 -11.244 -11.024 1.00 0.00 H new ATOM 0 HG3 PRO A 60 3.943 -11.235 -10.173 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.559 -13.426 -10.173 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.815 -13.578 -10.101 1.00 0.00 H new ATOM 1004 N SER A 61 5.231 -11.376 -14.773 1.00 0.00 N ATOM 1005 CA SER A 61 6.274 -10.905 -15.676 1.00 0.00 C ATOM 1006 C SER A 61 5.972 -9.488 -16.163 1.00 0.00 C ATOM 1007 O SER A 61 4.850 -9.193 -16.576 1.00 0.00 O ATOM 1008 CB SER A 61 6.406 -11.848 -16.873 1.00 0.00 C ATOM 1009 OG SER A 61 7.550 -11.533 -17.648 1.00 0.00 O ATOM 0 H SER A 61 4.367 -10.835 -14.807 1.00 0.00 H new ATOM 0 HA SER A 61 7.216 -10.891 -15.127 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.473 -12.878 -16.523 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.513 -11.780 -17.494 1.00 0.00 H new ATOM 0 HG SER A 61 7.612 -12.151 -18.406 1.00 0.00 H new ATOM 1015 N PRO A 62 6.970 -8.586 -16.121 1.00 0.00 N ATOM 1016 CA PRO A 62 6.797 -7.198 -16.562 1.00 0.00 C ATOM 1017 C PRO A 62 6.199 -7.102 -17.961 1.00 0.00 C ATOM 1018 O PRO A 62 5.527 -6.126 -18.294 1.00 0.00 O ATOM 1019 CB PRO A 62 8.221 -6.639 -16.552 1.00 0.00 C ATOM 1020 CG PRO A 62 8.947 -7.472 -15.554 1.00 0.00 C ATOM 1021 CD PRO A 62 8.342 -8.846 -15.643 1.00 0.00 C ATOM 0 HA PRO A 62 6.106 -6.653 -15.919 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.681 -6.711 -17.537 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.231 -5.586 -16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 62 10.015 -7.501 -15.772 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.838 -7.062 -14.550 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.894 -9.484 -16.333 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.342 -9.348 -14.676 1.00 0.00 H new ATOM 1029 N VAL A 63 6.450 -8.122 -18.777 1.00 0.00 N ATOM 1030 CA VAL A 63 5.939 -8.157 -20.144 1.00 0.00 C ATOM 1031 C VAL A 63 4.456 -7.796 -20.192 1.00 0.00 C ATOM 1032 O VAL A 63 4.019 -7.041 -21.060 1.00 0.00 O ATOM 1033 CB VAL A 63 6.136 -9.545 -20.783 1.00 0.00 C ATOM 1034 CG1 VAL A 63 5.773 -9.512 -22.259 1.00 0.00 C ATOM 1035 CG2 VAL A 63 7.566 -10.024 -20.589 1.00 0.00 C ATOM 0 H VAL A 63 7.005 -8.937 -18.515 1.00 0.00 H new ATOM 0 HA VAL A 63 6.508 -7.419 -20.709 1.00 0.00 H new ATOM 0 HB VAL A 63 5.470 -10.250 -20.286 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.919 -10.502 -22.692 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.729 -9.217 -22.371 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.410 -8.793 -22.774 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.686 -11.006 -21.047 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.253 -9.319 -21.057 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.786 -10.091 -19.524 1.00 0.00 H new ATOM 1045 N VAL A 64 3.690 -8.337 -19.251 1.00 0.00 N ATOM 1046 CA VAL A 64 2.259 -8.069 -19.184 1.00 0.00 C ATOM 1047 C VAL A 64 1.983 -6.766 -18.443 1.00 0.00 C ATOM 1048 O VAL A 64 1.023 -6.057 -18.747 1.00 0.00 O ATOM 1049 CB VAL A 64 1.505 -9.215 -18.485 1.00 0.00 C ATOM 1050 CG1 VAL A 64 1.437 -10.439 -19.386 1.00 0.00 C ATOM 1051 CG2 VAL A 64 2.164 -9.556 -17.156 1.00 0.00 C ATOM 0 H VAL A 64 4.036 -8.964 -18.524 1.00 0.00 H new ATOM 0 HA VAL A 64 1.902 -7.985 -20.210 1.00 0.00 H new ATOM 0 HB VAL A 64 0.486 -8.885 -18.284 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.900 -11.238 -18.874 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.915 -10.184 -20.308 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.447 -10.774 -19.622 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.617 -10.368 -16.677 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.195 -9.865 -17.330 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.153 -8.679 -16.509 1.00 0.00 H new ATOM 1061 N ILE A 65 2.833 -6.456 -17.470 1.00 0.00 N ATOM 1062 CA ILE A 65 2.688 -5.238 -16.685 1.00 0.00 C ATOM 1063 C ILE A 65 2.782 -4.001 -17.576 1.00 0.00 C ATOM 1064 O ILE A 65 2.036 -3.039 -17.398 1.00 0.00 O ATOM 1065 CB ILE A 65 3.760 -5.160 -15.574 1.00 0.00 C ATOM 1066 CG1 ILE A 65 3.520 -6.258 -14.534 1.00 0.00 C ATOM 1067 CG2 ILE A 65 3.764 -3.789 -14.909 1.00 0.00 C ATOM 1068 CD1 ILE A 65 4.780 -6.712 -13.830 1.00 0.00 C ATOM 0 H ILE A 65 3.631 -7.034 -17.206 1.00 0.00 H new ATOM 0 HA ILE A 65 1.703 -5.266 -16.220 1.00 0.00 H new ATOM 0 HB ILE A 65 4.737 -5.312 -16.032 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.810 -5.894 -13.791 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.058 -7.116 -15.023 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.528 -3.764 -14.132 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.979 -3.024 -15.655 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.787 -3.598 -14.464 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.533 -7.490 -13.108 1.00 0.00 H new ATOM 0 HD12 ILE A 65 5.484 -7.107 -14.563 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.232 -5.866 -13.311 1.00 0.00 H new ATOM 1080 N LYS A 66 3.701 -4.036 -18.535 1.00 0.00 N ATOM 1081 CA LYS A 66 3.888 -2.919 -19.453 1.00 0.00 C ATOM 1082 C LYS A 66 2.615 -2.654 -20.252 1.00 0.00 C ATOM 1083 O LYS A 66 2.171 -1.511 -20.370 1.00 0.00 O ATOM 1084 CB LYS A 66 5.052 -3.202 -20.405 1.00 0.00 C ATOM 1085 CG LYS A 66 6.393 -3.335 -19.702 1.00 0.00 C ATOM 1086 CD LYS A 66 7.516 -3.607 -20.691 1.00 0.00 C ATOM 1087 CE LYS A 66 7.279 -4.891 -21.470 1.00 0.00 C ATOM 1088 NZ LYS A 66 8.501 -5.739 -21.527 1.00 0.00 N ATOM 0 H LYS A 66 4.327 -4.825 -18.697 1.00 0.00 H new ATOM 0 HA LYS A 66 4.118 -2.031 -18.864 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.846 -4.121 -20.954 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.114 -2.399 -21.139 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.607 -2.421 -19.149 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.344 -4.144 -18.973 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.601 -2.771 -21.385 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.463 -3.675 -20.156 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.468 -5.453 -21.006 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.959 -4.647 -22.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.298 -6.605 -22.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.267 -5.213 -21.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.793 -5.993 -20.562 1.00 0.00 H new ATOM 1102 N LYS A 67 2.032 -3.717 -20.798 1.00 0.00 N ATOM 1103 CA LYS A 67 0.810 -3.599 -21.583 1.00 0.00 C ATOM 1104 C LYS A 67 -0.345 -3.106 -20.717 1.00 0.00 C ATOM 1105 O LYS A 67 -1.195 -2.341 -21.175 1.00 0.00 O ATOM 1106 CB LYS A 67 0.452 -4.945 -22.214 1.00 0.00 C ATOM 1107 CG LYS A 67 1.546 -5.509 -23.106 1.00 0.00 C ATOM 1108 CD LYS A 67 1.655 -4.734 -24.410 1.00 0.00 C ATOM 1109 CE LYS A 67 2.631 -3.574 -24.288 1.00 0.00 C ATOM 1110 NZ LYS A 67 3.972 -3.916 -24.837 1.00 0.00 N ATOM 0 H LYS A 67 2.387 -4.669 -20.711 1.00 0.00 H new ATOM 0 HA LYS A 67 0.984 -2.871 -22.375 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.235 -5.662 -21.422 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.460 -4.831 -22.800 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.500 -5.475 -22.580 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.338 -6.557 -23.321 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.981 -5.403 -25.206 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.673 -4.356 -24.693 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.233 -2.708 -24.816 1.00 0.00 H new ATOM 0 HE3 LYS A 67 2.729 -3.291 -23.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.608 -3.099 -24.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 4.364 -4.727 -24.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 3.883 -4.161 -25.844 1.00 0.00 H new ATOM 1124 N ARG A 68 -0.370 -3.549 -19.465 1.00 0.00 N ATOM 1125 CA ARG A 68 -1.420 -3.153 -18.535 1.00 0.00 C ATOM 1126 C ARG A 68 -1.396 -1.646 -18.300 1.00 0.00 C ATOM 1127 O ARG A 68 -2.443 -1.004 -18.212 1.00 0.00 O ATOM 1128 CB ARG A 68 -1.259 -3.894 -17.204 1.00 0.00 C ATOM 1129 CG ARG A 68 -2.312 -4.966 -16.975 1.00 0.00 C ATOM 1130 CD ARG A 68 -2.184 -6.098 -17.981 1.00 0.00 C ATOM 1131 NE ARG A 68 -2.842 -5.783 -19.247 1.00 0.00 N ATOM 1132 CZ ARG A 68 -2.593 -6.417 -20.390 1.00 0.00 C ATOM 1133 NH1 ARG A 68 -1.703 -7.400 -20.432 1.00 0.00 N ATOM 1134 NH2 ARG A 68 -3.237 -6.066 -21.495 1.00 0.00 N ATOM 0 H ARG A 68 0.325 -4.183 -19.071 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.381 -3.419 -18.975 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.271 -4.353 -17.170 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.303 -3.173 -16.388 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -2.214 -5.363 -15.965 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.305 -4.523 -17.049 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.129 -6.304 -18.162 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.619 -7.006 -17.563 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.533 -5.033 -19.255 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.205 -7.674 -19.585 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.517 -7.882 -21.311 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.922 -5.311 -21.468 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.047 -6.551 -22.372 1.00 0.00 H new ATOM 1148 N ILE A 69 -0.194 -1.086 -18.201 1.00 0.00 N ATOM 1149 CA ILE A 69 -0.034 0.345 -17.979 1.00 0.00 C ATOM 1150 C ILE A 69 -0.522 1.142 -19.184 1.00 0.00 C ATOM 1151 O ILE A 69 -1.350 2.043 -19.050 1.00 0.00 O ATOM 1152 CB ILE A 69 1.437 0.708 -17.691 1.00 0.00 C ATOM 1153 CG1 ILE A 69 1.970 -0.132 -16.529 1.00 0.00 C ATOM 1154 CG2 ILE A 69 1.575 2.194 -17.383 1.00 0.00 C ATOM 1155 CD1 ILE A 69 3.456 -0.408 -16.615 1.00 0.00 C ATOM 0 H ILE A 69 0.683 -1.602 -18.271 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.637 0.603 -17.109 1.00 0.00 H new ATOM 0 HB ILE A 69 2.028 0.489 -18.580 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.758 0.383 -15.592 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.433 -1.080 -16.501 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.620 2.429 -17.183 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.230 2.776 -18.237 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.974 2.442 -16.508 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.765 -1.008 -15.759 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.673 -0.950 -17.535 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.002 0.535 -16.613 1.00 0.00 H new ATOM 1167 N GLU A 70 -0.005 0.805 -20.362 1.00 0.00 N ATOM 1168 CA GLU A 70 -0.391 1.489 -21.593 1.00 0.00 C ATOM 1169 C GLU A 70 -1.908 1.516 -21.754 1.00 0.00 C ATOM 1170 O GLU A 70 -2.464 2.447 -22.334 1.00 0.00 O ATOM 1171 CB GLU A 70 0.250 0.804 -22.801 1.00 0.00 C ATOM 1172 CG GLU A 70 0.442 1.726 -23.993 1.00 0.00 C ATOM 1173 CD GLU A 70 1.218 2.980 -23.641 1.00 0.00 C ATOM 1174 OE1 GLU A 70 2.456 2.891 -23.497 1.00 0.00 O ATOM 1175 OE2 GLU A 70 0.589 4.051 -23.513 1.00 0.00 O ATOM 0 H GLU A 70 0.682 0.062 -20.491 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.035 2.518 -21.533 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.218 0.398 -22.507 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.371 -0.040 -23.101 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.967 1.188 -24.783 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.533 2.006 -24.392 1.00 0.00 H new ATOM 1182 N GLY A 71 -2.570 0.487 -21.233 1.00 0.00 N ATOM 1183 CA GLY A 71 -4.016 0.414 -21.326 1.00 0.00 C ATOM 1184 C GLY A 71 -4.706 1.225 -20.248 1.00 0.00 C ATOM 1185 O GLY A 71 -5.796 1.755 -20.462 1.00 0.00 O ATOM 0 H GLY A 71 -2.131 -0.296 -20.749 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.333 0.773 -22.305 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.330 -0.627 -21.251 1.00 0.00 H new ATOM 1189 N LEU A 72 -4.069 1.322 -19.085 1.00 0.00 N ATOM 1190 CA LEU A 72 -4.628 2.076 -17.969 1.00 0.00 C ATOM 1191 C LEU A 72 -4.675 3.566 -18.288 1.00 0.00 C ATOM 1192 O LEU A 72 -5.630 4.257 -17.935 1.00 0.00 O ATOM 1193 CB LEU A 72 -3.803 1.838 -16.702 1.00 0.00 C ATOM 1194 CG LEU A 72 -4.036 0.488 -16.022 1.00 0.00 C ATOM 1195 CD1 LEU A 72 -2.786 0.040 -15.280 1.00 0.00 C ATOM 1196 CD2 LEU A 72 -5.221 0.569 -15.071 1.00 0.00 C ATOM 0 H LEU A 72 -3.166 0.888 -18.891 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.647 1.728 -17.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.746 1.923 -16.954 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.025 2.631 -15.988 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.261 -0.251 -16.791 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.971 -0.922 -14.803 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.960 -0.057 -15.984 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.530 0.778 -14.520 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.373 -0.400 -14.596 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.024 1.321 -14.307 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.117 0.844 -15.628 1.00 0.00 H new ATOM 1208 N ILE A 73 -3.639 4.056 -18.962 1.00 0.00 N ATOM 1209 CA ILE A 73 -3.569 5.465 -19.331 1.00 0.00 C ATOM 1210 C ILE A 73 -4.757 5.858 -20.203 1.00 0.00 C ATOM 1211 O ILE A 73 -5.295 6.958 -20.079 1.00 0.00 O ATOM 1212 CB ILE A 73 -2.261 5.788 -20.081 1.00 0.00 C ATOM 1213 CG1 ILE A 73 -1.052 5.308 -19.275 1.00 0.00 C ATOM 1214 CG2 ILE A 73 -2.163 7.283 -20.357 1.00 0.00 C ATOM 1215 CD1 ILE A 73 0.276 5.614 -19.932 1.00 0.00 C ATOM 0 H ILE A 73 -2.839 3.500 -19.263 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.594 6.039 -18.405 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.268 5.262 -21.036 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.076 5.773 -18.289 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.132 4.232 -19.122 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.234 7.495 -20.887 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.009 7.596 -20.968 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.175 7.829 -19.414 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.086 5.245 -19.304 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.321 5.127 -20.906 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.379 6.692 -20.060 1.00 0.00 H new ATOM 1227 N GLU A 74 -5.161 4.950 -21.085 1.00 0.00 N ATOM 1228 CA GLU A 74 -6.287 5.199 -21.978 1.00 0.00 C ATOM 1229 C GLU A 74 -7.615 5.104 -21.230 1.00 0.00 C ATOM 1230 O GLU A 74 -8.621 5.666 -21.661 1.00 0.00 O ATOM 1231 CB GLU A 74 -6.269 4.204 -23.143 1.00 0.00 C ATOM 1232 CG GLU A 74 -6.421 4.862 -24.504 1.00 0.00 C ATOM 1233 CD GLU A 74 -6.430 3.857 -25.639 1.00 0.00 C ATOM 1234 OE1 GLU A 74 -5.887 2.748 -25.455 1.00 0.00 O ATOM 1235 OE2 GLU A 74 -6.979 4.180 -26.713 1.00 0.00 O ATOM 0 H GLU A 74 -4.726 4.035 -21.201 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.189 6.211 -22.370 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.332 3.647 -23.120 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.073 3.481 -23.006 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.347 5.436 -24.525 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.605 5.568 -24.655 1.00 0.00 H new ATOM 1242 N ARG A 75 -7.611 4.389 -20.107 1.00 0.00 N ATOM 1243 CA ARG A 75 -8.818 4.225 -19.304 1.00 0.00 C ATOM 1244 C ARG A 75 -8.912 5.290 -18.212 1.00 0.00 C ATOM 1245 O ARG A 75 -9.670 5.142 -17.255 1.00 0.00 O ATOM 1246 CB ARG A 75 -8.848 2.831 -18.673 1.00 0.00 C ATOM 1247 CG ARG A 75 -9.281 1.736 -19.634 1.00 0.00 C ATOM 1248 CD ARG A 75 -8.547 0.433 -19.362 1.00 0.00 C ATOM 1249 NE ARG A 75 -9.064 -0.665 -20.175 1.00 0.00 N ATOM 1250 CZ ARG A 75 -8.616 -1.917 -20.099 1.00 0.00 C ATOM 1251 NH1 ARG A 75 -7.647 -2.233 -19.250 1.00 0.00 N ATOM 1252 NH2 ARG A 75 -9.142 -2.855 -20.875 1.00 0.00 N ATOM 0 H ARG A 75 -6.788 3.916 -19.734 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.676 4.342 -19.967 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.856 2.594 -18.289 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.526 2.842 -17.819 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.355 1.575 -19.544 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -9.091 2.054 -20.659 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.484 0.566 -19.565 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.640 0.178 -18.306 1.00 0.00 H new ATOM 0 HE ARG A 75 -9.811 -0.461 -20.839 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.240 -1.515 -18.650 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.309 -3.194 -19.197 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.888 -2.617 -21.528 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.800 -3.814 -20.818 1.00 0.00 H new ATOM 1266 N GLU A 76 -8.142 6.365 -18.363 1.00 0.00 N ATOM 1267 CA GLU A 76 -8.149 7.451 -17.389 1.00 0.00 C ATOM 1268 C GLU A 76 -7.693 6.962 -16.016 1.00 0.00 C ATOM 1269 O GLU A 76 -8.087 7.516 -14.990 1.00 0.00 O ATOM 1270 CB GLU A 76 -9.547 8.065 -17.288 1.00 0.00 C ATOM 1271 CG GLU A 76 -9.733 9.298 -18.155 1.00 0.00 C ATOM 1272 CD GLU A 76 -11.173 9.771 -18.194 1.00 0.00 C ATOM 1273 OE1 GLU A 76 -11.707 10.133 -17.124 1.00 0.00 O ATOM 1274 OE2 GLU A 76 -11.767 9.781 -19.292 1.00 0.00 O ATOM 0 H GLU A 76 -7.507 6.506 -19.149 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.448 8.213 -17.731 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.285 7.316 -17.573 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -9.745 8.328 -16.249 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.100 10.102 -17.778 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.399 9.078 -19.169 1.00 0.00 H new ATOM 1281 N TYR A 77 -6.859 5.927 -16.003 1.00 0.00 N ATOM 1282 CA TYR A 77 -6.353 5.373 -14.753 1.00 0.00 C ATOM 1283 C TYR A 77 -4.994 5.974 -14.408 1.00 0.00 C ATOM 1284 O TYR A 77 -4.813 6.550 -13.336 1.00 0.00 O ATOM 1285 CB TYR A 77 -6.243 3.851 -14.848 1.00 0.00 C ATOM 1286 CG TYR A 77 -7.495 3.125 -14.413 1.00 0.00 C ATOM 1287 CD1 TYR A 77 -8.599 3.039 -15.252 1.00 0.00 C ATOM 1288 CD2 TYR A 77 -7.574 2.524 -13.162 1.00 0.00 C ATOM 1289 CE1 TYR A 77 -9.745 2.377 -14.858 1.00 0.00 C ATOM 1290 CE2 TYR A 77 -8.718 1.860 -12.761 1.00 0.00 C ATOM 1291 CZ TYR A 77 -9.800 1.788 -13.612 1.00 0.00 C ATOM 1292 OH TYR A 77 -10.940 1.128 -13.216 1.00 0.00 O ATOM 0 H TYR A 77 -6.520 5.456 -16.842 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.057 5.626 -13.960 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -6.012 3.575 -15.877 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -5.407 3.517 -14.233 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.560 3.498 -16.229 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.728 2.577 -12.493 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.594 2.321 -15.523 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.764 1.400 -11.785 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.814 0.770 -12.313 1.00 0.00 H new ATOM 1302 N LEU A 78 -4.042 5.837 -15.325 1.00 0.00 N ATOM 1303 CA LEU A 78 -2.700 6.368 -15.119 1.00 0.00 C ATOM 1304 C LEU A 78 -2.363 7.417 -16.175 1.00 0.00 C ATOM 1305 O LEU A 78 -3.193 7.746 -17.022 1.00 0.00 O ATOM 1306 CB LEU A 78 -1.668 5.239 -15.157 1.00 0.00 C ATOM 1307 CG LEU A 78 -2.000 4.027 -14.284 1.00 0.00 C ATOM 1308 CD1 LEU A 78 -0.850 3.032 -14.295 1.00 0.00 C ATOM 1309 CD2 LEU A 78 -2.315 4.464 -12.862 1.00 0.00 C ATOM 0 H LEU A 78 -4.175 5.363 -16.218 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.671 6.842 -14.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.556 4.905 -16.188 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.703 5.639 -14.845 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.882 3.537 -14.696 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.103 2.176 -13.669 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.671 2.694 -15.316 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.049 3.511 -13.908 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.549 3.589 -12.256 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.452 4.978 -12.440 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.171 5.139 -12.870 1.00 0.00 H new ATOM 1321 N ALA A 79 -1.143 7.939 -16.117 1.00 0.00 N ATOM 1322 CA ALA A 79 -0.700 8.950 -17.069 1.00 0.00 C ATOM 1323 C ALA A 79 0.767 9.307 -16.850 1.00 0.00 C ATOM 1324 O ALA A 79 1.307 9.114 -15.760 1.00 0.00 O ATOM 1325 CB ALA A 79 -1.568 10.195 -16.959 1.00 0.00 C ATOM 0 H ALA A 79 -0.444 7.679 -15.421 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.801 8.536 -18.072 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.226 10.942 -17.676 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.605 9.936 -17.172 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.496 10.601 -15.950 1.00 0.00 H new ATOM 1331 N ARG A 80 1.405 9.829 -17.891 1.00 0.00 N ATOM 1332 CA ARG A 80 2.809 10.213 -17.813 1.00 0.00 C ATOM 1333 C ARG A 80 2.959 11.596 -17.186 1.00 0.00 C ATOM 1334 O ARG A 80 2.136 12.482 -17.412 1.00 0.00 O ATOM 1335 CB ARG A 80 3.441 10.198 -19.206 1.00 0.00 C ATOM 1336 CG ARG A 80 3.684 8.800 -19.749 1.00 0.00 C ATOM 1337 CD ARG A 80 4.460 8.833 -21.055 1.00 0.00 C ATOM 1338 NE ARG A 80 3.637 8.428 -22.192 1.00 0.00 N ATOM 1339 CZ ARG A 80 4.132 8.070 -23.376 1.00 0.00 C ATOM 1340 NH1 ARG A 80 5.443 8.068 -23.581 1.00 0.00 N ATOM 1341 NH2 ARG A 80 3.313 7.714 -24.355 1.00 0.00 N ATOM 0 H ARG A 80 0.972 9.996 -18.799 1.00 0.00 H new ATOM 0 HA ARG A 80 3.325 9.490 -17.181 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.793 10.739 -19.896 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.389 10.735 -19.172 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.234 8.214 -19.013 1.00 0.00 H new ATOM 0 HG3 ARG A 80 2.729 8.299 -19.906 1.00 0.00 H new ATOM 0 HD2 ARG A 80 4.842 9.840 -21.224 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.324 8.173 -20.980 1.00 0.00 H new ATOM 0 HE ARG A 80 2.624 8.419 -22.072 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.077 8.341 -22.830 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.817 7.793 -24.489 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.305 7.714 -24.202 1.00 0.00 H new ATOM 0 HH22 ARG A 80 3.691 7.440 -25.262 1.00 0.00 H new ATOM 1355 N THR A 81 4.013 11.771 -16.397 1.00 0.00 N ATOM 1356 CA THR A 81 4.270 13.046 -15.735 1.00 0.00 C ATOM 1357 C THR A 81 4.551 14.145 -16.757 1.00 0.00 C ATOM 1358 O THR A 81 4.942 13.866 -17.890 1.00 0.00 O ATOM 1359 CB THR A 81 5.450 12.916 -14.773 1.00 0.00 C ATOM 1360 OG1 THR A 81 6.501 12.172 -15.365 1.00 0.00 O ATOM 1361 CG2 THR A 81 5.088 12.239 -13.469 1.00 0.00 C ATOM 0 H THR A 81 4.704 11.047 -16.200 1.00 0.00 H new ATOM 0 HA THR A 81 3.378 13.319 -15.171 1.00 0.00 H new ATOM 0 HB THR A 81 5.761 13.939 -14.559 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.867 12.670 -16.125 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.971 12.179 -12.833 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.314 12.816 -12.962 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.718 11.234 -13.671 1.00 0.00 H new ATOM 1369 N PRO A 82 4.358 15.417 -16.364 1.00 0.00 N ATOM 1370 CA PRO A 82 4.596 16.561 -17.250 1.00 0.00 C ATOM 1371 C PRO A 82 6.070 16.717 -17.606 1.00 0.00 C ATOM 1372 O PRO A 82 6.414 17.051 -18.739 1.00 0.00 O ATOM 1373 CB PRO A 82 4.115 17.761 -16.428 1.00 0.00 C ATOM 1374 CG PRO A 82 4.194 17.309 -15.010 1.00 0.00 C ATOM 1375 CD PRO A 82 3.896 15.837 -15.029 1.00 0.00 C ATOM 0 HA PRO A 82 4.080 16.450 -18.204 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.743 18.635 -16.600 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.097 18.042 -16.697 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.183 17.502 -14.593 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.476 17.845 -14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.425 15.309 -14.235 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.833 15.640 -14.890 1.00 0.00 H new ATOM 1383 N GLU A 83 6.938 16.471 -16.629 1.00 0.00 N ATOM 1384 CA GLU A 83 8.377 16.582 -16.838 1.00 0.00 C ATOM 1385 C GLU A 83 8.912 15.368 -17.589 1.00 0.00 C ATOM 1386 O GLU A 83 9.409 15.487 -18.709 1.00 0.00 O ATOM 1387 CB GLU A 83 9.098 16.725 -15.497 1.00 0.00 C ATOM 1388 CG GLU A 83 10.597 16.932 -15.632 1.00 0.00 C ATOM 1389 CD GLU A 83 10.951 18.318 -16.135 1.00 0.00 C ATOM 1390 OE1 GLU A 83 10.456 18.702 -17.214 1.00 0.00 O ATOM 1391 OE2 GLU A 83 11.724 19.020 -15.449 1.00 0.00 O ATOM 0 H GLU A 83 6.669 16.194 -15.685 1.00 0.00 H new ATOM 0 HA GLU A 83 8.565 17.471 -17.440 1.00 0.00 H new ATOM 0 HB2 GLU A 83 8.671 17.567 -14.952 1.00 0.00 H new ATOM 0 HB3 GLU A 83 8.915 15.832 -14.899 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.071 16.769 -14.664 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.003 16.187 -16.316 1.00 0.00 H new ATOM 1398 N ASP A 84 8.809 14.200 -16.965 1.00 0.00 N ATOM 1399 CA ASP A 84 9.282 12.963 -17.574 1.00 0.00 C ATOM 1400 C ASP A 84 8.117 12.142 -18.116 1.00 0.00 C ATOM 1401 O ASP A 84 6.958 12.401 -17.792 1.00 0.00 O ATOM 1402 CB ASP A 84 10.072 12.138 -16.556 1.00 0.00 C ATOM 1403 CG ASP A 84 11.256 11.428 -17.182 1.00 0.00 C ATOM 1404 OD1 ASP A 84 12.114 12.114 -17.776 1.00 0.00 O ATOM 1405 OD2 ASP A 84 11.327 10.185 -17.077 1.00 0.00 O ATOM 0 H ASP A 84 8.402 14.084 -16.037 1.00 0.00 H new ATOM 0 HA ASP A 84 9.936 13.225 -18.406 1.00 0.00 H new ATOM 0 HB2 ASP A 84 10.424 12.791 -15.758 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.411 11.402 -16.098 1.00 0.00 H new ATOM 1410 N ARG A 85 8.433 11.150 -18.943 1.00 0.00 N ATOM 1411 CA ARG A 85 7.412 10.290 -19.529 1.00 0.00 C ATOM 1412 C ARG A 85 7.490 8.881 -18.953 1.00 0.00 C ATOM 1413 O ARG A 85 6.477 8.193 -18.825 1.00 0.00 O ATOM 1414 CB ARG A 85 7.567 10.242 -21.051 1.00 0.00 C ATOM 1415 CG ARG A 85 8.902 9.681 -21.512 1.00 0.00 C ATOM 1416 CD ARG A 85 9.203 10.074 -22.949 1.00 0.00 C ATOM 1417 NE ARG A 85 9.979 11.310 -23.029 1.00 0.00 N ATOM 1418 CZ ARG A 85 10.069 12.061 -24.124 1.00 0.00 C ATOM 1419 NH1 ARG A 85 9.435 11.705 -25.234 1.00 0.00 N ATOM 1420 NH2 ARG A 85 10.795 13.170 -24.109 1.00 0.00 N ATOM 0 H ARG A 85 9.387 10.922 -19.222 1.00 0.00 H new ATOM 0 HA ARG A 85 6.436 10.709 -19.284 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.764 9.636 -21.470 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.448 11.249 -21.451 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.696 10.045 -20.860 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.891 8.595 -21.425 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.752 9.269 -23.437 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.267 10.198 -23.494 1.00 0.00 H new ATOM 0 HE ARG A 85 10.482 11.615 -22.196 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.875 10.852 -25.251 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.507 12.284 -26.071 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.285 13.448 -23.258 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.864 13.746 -24.948 1.00 0.00 H new ATOM 1434 N LYS A 86 8.700 8.456 -18.603 1.00 0.00 N ATOM 1435 CA LYS A 86 8.912 7.130 -18.037 1.00 0.00 C ATOM 1436 C LYS A 86 8.118 6.955 -16.744 1.00 0.00 C ATOM 1437 O LYS A 86 7.755 5.839 -16.373 1.00 0.00 O ATOM 1438 CB LYS A 86 10.402 6.897 -17.774 1.00 0.00 C ATOM 1439 CG LYS A 86 10.981 5.725 -18.549 1.00 0.00 C ATOM 1440 CD LYS A 86 11.432 6.146 -19.939 1.00 0.00 C ATOM 1441 CE LYS A 86 12.530 5.238 -20.467 1.00 0.00 C ATOM 1442 NZ LYS A 86 13.828 5.477 -19.780 1.00 0.00 N ATOM 0 H LYS A 86 9.549 9.012 -18.702 1.00 0.00 H new ATOM 0 HA LYS A 86 8.559 6.393 -18.759 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.954 7.801 -18.033 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.552 6.726 -16.708 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.826 5.307 -18.002 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.233 4.936 -18.631 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.582 6.125 -20.621 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.792 7.175 -19.910 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.235 4.197 -20.334 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.651 5.400 -21.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 14.598 5.050 -20.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.991 6.500 -19.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.804 5.048 -18.833 1.00 0.00 H new ATOM 1456 N VAL A 87 7.854 8.065 -16.061 1.00 0.00 N ATOM 1457 CA VAL A 87 7.106 8.033 -14.810 1.00 0.00 C ATOM 1458 C VAL A 87 5.603 8.051 -15.064 1.00 0.00 C ATOM 1459 O VAL A 87 5.141 8.584 -16.073 1.00 0.00 O ATOM 1460 CB VAL A 87 7.474 9.223 -13.903 1.00 0.00 C ATOM 1461 CG1 VAL A 87 6.860 9.054 -12.523 1.00 0.00 C ATOM 1462 CG2 VAL A 87 8.985 9.375 -13.809 1.00 0.00 C ATOM 0 H VAL A 87 8.147 8.997 -16.353 1.00 0.00 H new ATOM 0 HA VAL A 87 7.376 7.104 -14.308 1.00 0.00 H new ATOM 0 HB VAL A 87 7.067 10.132 -14.345 1.00 0.00 H new ATOM 0 HG11 VAL A 87 7.131 9.904 -11.897 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.775 9.000 -12.612 1.00 0.00 H new ATOM 0 HG13 VAL A 87 7.233 8.136 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.226 10.220 -13.164 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.417 8.465 -13.392 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.396 9.548 -14.804 1.00 0.00 H new ATOM 1472 N TYR A 88 4.845 7.466 -14.143 1.00 0.00 N ATOM 1473 CA TYR A 88 3.392 7.416 -14.265 1.00 0.00 C ATOM 1474 C TYR A 88 2.723 8.104 -13.080 1.00 0.00 C ATOM 1475 O TYR A 88 3.346 8.316 -12.040 1.00 0.00 O ATOM 1476 CB TYR A 88 2.917 5.965 -14.361 1.00 0.00 C ATOM 1477 CG TYR A 88 3.570 5.185 -15.479 1.00 0.00 C ATOM 1478 CD1 TYR A 88 3.355 5.528 -16.808 1.00 0.00 C ATOM 1479 CD2 TYR A 88 4.402 4.106 -15.205 1.00 0.00 C ATOM 1480 CE1 TYR A 88 3.950 4.816 -17.834 1.00 0.00 C ATOM 1481 CE2 TYR A 88 5.001 3.391 -16.225 1.00 0.00 C ATOM 1482 CZ TYR A 88 4.771 3.749 -17.536 1.00 0.00 C ATOM 1483 OH TYR A 88 5.365 3.038 -18.554 1.00 0.00 O ATOM 0 H TYR A 88 5.213 7.019 -13.303 1.00 0.00 H new ATOM 0 HA TYR A 88 3.110 7.944 -15.176 1.00 0.00 H new ATOM 0 HB2 TYR A 88 3.117 5.463 -13.414 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.837 5.954 -14.505 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.713 6.364 -17.044 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.583 3.822 -14.179 1.00 0.00 H new ATOM 0 HE1 TYR A 88 3.773 5.094 -18.862 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.646 2.556 -15.996 1.00 0.00 H new ATOM 0 HH TYR A 88 5.518 3.630 -19.320 1.00 0.00 H new ATOM 1493 N THR A 89 1.450 8.450 -13.243 1.00 0.00 N ATOM 1494 CA THR A 89 0.697 9.114 -12.186 1.00 0.00 C ATOM 1495 C THR A 89 -0.756 8.651 -12.180 1.00 0.00 C ATOM 1496 O THR A 89 -1.341 8.395 -13.232 1.00 0.00 O ATOM 1497 CB THR A 89 0.760 10.632 -12.361 1.00 0.00 C ATOM 1498 OG1 THR A 89 -0.064 11.048 -13.434 1.00 0.00 O ATOM 1499 CG2 THR A 89 2.159 11.145 -12.630 1.00 0.00 C ATOM 0 H THR A 89 0.919 8.281 -14.097 1.00 0.00 H new ATOM 0 HA THR A 89 1.149 8.847 -11.231 1.00 0.00 H new ATOM 0 HB THR A 89 0.414 11.047 -11.414 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.195 10.571 -14.250 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.133 12.229 -12.744 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.809 10.883 -11.795 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.543 10.693 -13.544 1.00 0.00 H new ATOM 1507 N TYR A 90 -1.332 8.546 -10.987 1.00 0.00 N ATOM 1508 CA TYR A 90 -2.718 8.113 -10.842 1.00 0.00 C ATOM 1509 C TYR A 90 -3.677 9.279 -11.059 1.00 0.00 C ATOM 1510 O TYR A 90 -3.686 10.240 -10.290 1.00 0.00 O ATOM 1511 CB TYR A 90 -2.940 7.506 -9.456 1.00 0.00 C ATOM 1512 CG TYR A 90 -4.157 6.614 -9.372 1.00 0.00 C ATOM 1513 CD1 TYR A 90 -4.224 5.427 -10.091 1.00 0.00 C ATOM 1514 CD2 TYR A 90 -5.240 6.958 -8.573 1.00 0.00 C ATOM 1515 CE1 TYR A 90 -5.335 4.609 -10.016 1.00 0.00 C ATOM 1516 CE2 TYR A 90 -6.355 6.145 -8.492 1.00 0.00 C ATOM 1517 CZ TYR A 90 -6.397 4.972 -9.216 1.00 0.00 C ATOM 1518 OH TYR A 90 -7.505 4.159 -9.138 1.00 0.00 O ATOM 0 H TYR A 90 -0.861 8.755 -10.107 1.00 0.00 H new ATOM 0 HA TYR A 90 -2.919 7.356 -11.600 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -2.058 6.930 -9.176 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -3.039 8.311 -8.728 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.394 5.139 -10.719 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -5.210 7.876 -8.005 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.371 3.690 -10.582 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -7.188 6.427 -7.865 1.00 0.00 H new ATOM 0 HH TYR A 90 -8.162 4.559 -8.530 1.00 0.00 H new ATOM 1528 N VAL A 91 -4.484 9.187 -12.112 1.00 0.00 N ATOM 1529 CA VAL A 91 -5.447 10.234 -12.431 1.00 0.00 C ATOM 1530 C VAL A 91 -6.867 9.677 -12.488 1.00 0.00 C ATOM 1531 O VAL A 91 -7.675 10.093 -13.319 1.00 0.00 O ATOM 1532 CB VAL A 91 -5.119 10.912 -13.772 1.00 0.00 C ATOM 1533 CG1 VAL A 91 -3.959 11.882 -13.612 1.00 0.00 C ATOM 1534 CG2 VAL A 91 -4.809 9.869 -14.832 1.00 0.00 C ATOM 0 H VAL A 91 -4.490 8.398 -12.758 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.382 10.975 -11.634 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.992 11.479 -14.096 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.742 12.351 -14.572 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.224 12.649 -12.884 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.078 11.342 -13.265 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.579 10.366 -15.775 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.952 9.274 -14.517 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.673 9.218 -14.966 1.00 0.00 H new ATOM 1544 N ALA A 92 -7.164 8.735 -11.600 1.00 0.00 N ATOM 1545 CA ALA A 92 -8.486 8.123 -11.549 1.00 0.00 C ATOM 1546 C ALA A 92 -9.318 8.707 -10.413 1.00 0.00 C ATOM 1547 CB ALA A 92 -8.363 6.615 -11.394 1.00 0.00 C ATOM 0 H ALA A 92 -6.507 8.379 -10.906 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.997 8.341 -12.487 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.358 6.171 -11.357 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -7.814 6.206 -12.242 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.829 6.386 -10.472 1.00 0.00 H new TER 1553 ALA A 92