USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 835 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 78 MET CE :methyl -137:sc= -0.264 (180deg=-1.06) USER MOD Set 1.2: A 88 THR OG1 : rot 159:sc= -0.0571 USER MOD Set 2.1: A 7 ASN : amide:sc= 0.869 X(o=2.4,f=2.3) USER MOD Set 2.2: A 62 SER OG : rot -40:sc= 1.52 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.46 (180deg=2) USER MOD Single : A 10 THR OG1 : rot -170:sc= 0.74 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.885 K(o=0.88,f=0) USER MOD Single : A 18 SER OG : rot 139:sc= 0.714 USER MOD Single : A 19 SER OG : rot 180:sc= 0.17 USER MOD Single : A 48 TYR OH : rot 170:sc= 1.25 USER MOD Single : A 49 LYS NZ :NH3+ -178:sc= 0.256 (180deg=0.243) USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0.186 (180deg=0.17) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0291) USER MOD Single : A 54 CYS SG : rot 180:sc= -0.941 USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.889) USER MOD Single : A 58 ASN : amide:sc= 0.425 K(o=0.43,f=-8.9!) USER MOD Single : A 59 THR OG1 : rot 84:sc= 1.02 USER MOD Single : A 64 ASN : amide:sc= 1.14 K(o=1.1,f=-1.6) USER MOD Single : A 67 SER OG : rot 71:sc= 1.12 USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.185 USER MOD Single : A 76 THR OG1 : rot 109:sc= 1.22 USER MOD Single : A 81 LYS NZ :NH3+ 168:sc= 0.887 (180deg=0.819) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0783) USER MOD Single : A 85 LYS NZ :NH3+ -163:sc= -0.196 (180deg=-0.622) USER MOD Single : A 86 CYS SG : rot 180:sc= -0.58 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.903 (180deg=-1.25) USER MOD Single : A 97 THR OG1 : rot -150:sc= 0.0191 USER MOD Single : A 100 GLN : amide:sc= 1.13 K(o=1.1,f=-0.072) USER MOD Single : A 101 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 30:sc= 0 USER MOD Single : A 107 ASN : amide:sc= 1.04 K(o=1,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.299 -2.750 -11.236 1.00 0.00 N ATOM 2 CA MET A 1 -0.910 -2.508 -12.554 1.00 0.00 C ATOM 3 C MET A 1 -2.128 -1.601 -12.370 1.00 0.00 C ATOM 4 O MET A 1 -2.056 -0.411 -12.652 1.00 0.00 O ATOM 5 CB MET A 1 -1.253 -3.845 -13.236 1.00 0.00 C ATOM 6 CG MET A 1 -1.944 -3.657 -14.595 1.00 0.00 C ATOM 7 SD MET A 1 -1.103 -2.549 -15.754 1.00 0.00 S ATOM 8 CE MET A 1 0.326 -3.561 -16.199 1.00 0.00 C ATOM 0 H1 MET A 1 0.612 -3.236 -11.360 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.145 -1.842 -10.753 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.933 -3.343 -10.663 1.00 0.00 H new ATOM 0 HA MET A 1 -0.210 -1.999 -13.217 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.339 -4.423 -13.375 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.901 -4.427 -12.581 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.050 -4.634 -15.067 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.950 -3.276 -14.421 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.949 -3.019 -16.911 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.907 -3.783 -15.304 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.014 -4.493 -16.651 1.00 0.00 H new ATOM 20 N GLU A 2 -3.227 -2.160 -11.855 1.00 0.00 N ATOM 21 CA GLU A 2 -4.395 -1.385 -11.463 1.00 0.00 C ATOM 22 C GLU A 2 -3.973 -0.554 -10.251 1.00 0.00 C ATOM 23 O GLU A 2 -4.266 0.634 -10.151 1.00 0.00 O ATOM 24 CB GLU A 2 -5.549 -2.331 -11.132 1.00 0.00 C ATOM 25 CG GLU A 2 -6.002 -3.150 -12.347 1.00 0.00 C ATOM 26 CD GLU A 2 -7.090 -4.143 -11.952 1.00 0.00 C ATOM 27 OE1 GLU A 2 -8.266 -3.721 -11.934 1.00 0.00 O ATOM 28 OE2 GLU A 2 -6.722 -5.303 -11.666 1.00 0.00 O ATOM 0 H GLU A 2 -3.326 -3.163 -11.700 1.00 0.00 H new ATOM 0 HA GLU A 2 -4.744 -0.729 -12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.242 -3.008 -10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.392 -1.753 -10.753 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.376 -2.482 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.151 -3.684 -12.770 1.00 0.00 H new ATOM 35 N ALA A 3 -3.269 -1.218 -9.331 1.00 0.00 N ATOM 36 CA ALA A 3 -2.588 -0.570 -8.229 1.00 0.00 C ATOM 37 C ALA A 3 -1.348 0.083 -8.834 1.00 0.00 C ATOM 38 O ALA A 3 -0.670 -0.552 -9.652 1.00 0.00 O ATOM 39 CB ALA A 3 -2.174 -1.615 -7.194 1.00 0.00 C ATOM 0 H ALA A 3 -3.160 -2.232 -9.339 1.00 0.00 H new ATOM 0 HA ALA A 3 -3.225 0.161 -7.731 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.662 -1.124 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.060 -2.127 -6.820 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.504 -2.340 -7.657 1.00 0.00 H new ATOM 45 N GLY A 4 -1.047 1.329 -8.469 1.00 0.00 N ATOM 46 CA GLY A 4 0.124 1.997 -9.017 1.00 0.00 C ATOM 47 C GLY A 4 1.415 1.344 -8.514 1.00 0.00 C ATOM 48 O GLY A 4 1.401 0.566 -7.560 1.00 0.00 O ATOM 0 H GLY A 4 -1.589 1.885 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.093 1.958 -10.106 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.111 3.050 -8.735 1.00 0.00 H new ATOM 52 N ALA A 5 2.541 1.666 -9.149 1.00 0.00 N ATOM 53 CA ALA A 5 3.865 1.219 -8.740 1.00 0.00 C ATOM 54 C ALA A 5 4.597 2.467 -8.265 1.00 0.00 C ATOM 55 O ALA A 5 4.606 3.459 -8.994 1.00 0.00 O ATOM 56 CB ALA A 5 4.587 0.565 -9.920 1.00 0.00 C ATOM 0 H ALA A 5 2.555 2.258 -9.980 1.00 0.00 H new ATOM 0 HA ALA A 5 3.819 0.471 -7.948 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.576 0.234 -9.603 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.012 -0.293 -10.268 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.688 1.287 -10.730 1.00 0.00 H new ATOM 62 N VAL A 6 5.156 2.453 -7.052 1.00 0.00 N ATOM 63 CA VAL A 6 5.859 3.607 -6.504 1.00 0.00 C ATOM 64 C VAL A 6 7.242 3.217 -6.000 1.00 0.00 C ATOM 65 O VAL A 6 7.569 2.044 -5.819 1.00 0.00 O ATOM 66 CB VAL A 6 5.032 4.297 -5.401 1.00 0.00 C ATOM 67 CG1 VAL A 6 3.969 5.203 -6.022 1.00 0.00 C ATOM 68 CG2 VAL A 6 4.379 3.313 -4.426 1.00 0.00 C ATOM 0 H VAL A 6 5.132 1.646 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 6 5.992 4.328 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 6 5.734 4.894 -4.819 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.393 5.683 -5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.452 5.965 -6.633 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.302 4.607 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.813 3.865 -3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.708 2.651 -4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.151 2.721 -3.934 1.00 0.00 H new ATOM 78 N ASN A 7 8.054 4.250 -5.793 1.00 0.00 N ATOM 79 CA ASN A 7 9.422 4.185 -5.319 1.00 0.00 C ATOM 80 C ASN A 7 9.674 5.459 -4.523 1.00 0.00 C ATOM 81 O ASN A 7 8.784 6.301 -4.438 1.00 0.00 O ATOM 82 CB ASN A 7 10.378 4.088 -6.518 1.00 0.00 C ATOM 83 CG ASN A 7 10.423 2.678 -7.087 1.00 0.00 C ATOM 84 OD1 ASN A 7 9.976 2.427 -8.200 1.00 0.00 O ATOM 85 ND2 ASN A 7 10.986 1.745 -6.328 1.00 0.00 N ATOM 0 H ASN A 7 7.751 5.209 -5.964 1.00 0.00 H new ATOM 0 HA ASN A 7 9.589 3.309 -4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 7 10.060 4.784 -7.294 1.00 0.00 H new ATOM 0 HB3 ASN A 7 11.380 4.389 -6.211 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.056 0.786 -6.667 1.00 0.00 H new ATOM 0 HD22 ASN A 7 11.348 1.988 -5.406 1.00 0.00 H new ATOM 92 N ASP A 8 10.884 5.615 -3.982 1.00 0.00 N ATOM 93 CA ASP A 8 11.298 6.740 -3.145 1.00 0.00 C ATOM 94 C ASP A 8 10.729 8.068 -3.640 1.00 0.00 C ATOM 95 O ASP A 8 10.003 8.750 -2.922 1.00 0.00 O ATOM 96 CB ASP A 8 12.832 6.799 -3.137 1.00 0.00 C ATOM 97 CG ASP A 8 13.365 7.932 -2.264 1.00 0.00 C ATOM 98 OD1 ASP A 8 13.308 9.090 -2.728 1.00 0.00 O ATOM 99 OD2 ASP A 8 13.856 7.612 -1.160 1.00 0.00 O ATOM 0 H ASP A 8 11.630 4.934 -4.121 1.00 0.00 H new ATOM 0 HA ASP A 8 10.910 6.584 -2.138 1.00 0.00 H new ATOM 0 HB2 ASP A 8 13.228 5.849 -2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 8 13.193 6.929 -4.157 1.00 0.00 H new ATOM 104 N ASP A 9 11.064 8.407 -4.882 1.00 0.00 N ATOM 105 CA ASP A 9 10.636 9.643 -5.517 1.00 0.00 C ATOM 106 C ASP A 9 9.114 9.723 -5.620 1.00 0.00 C ATOM 107 O ASP A 9 8.473 10.528 -4.951 1.00 0.00 O ATOM 108 CB ASP A 9 11.260 9.729 -6.914 1.00 0.00 C ATOM 109 CG ASP A 9 10.771 10.972 -7.648 1.00 0.00 C ATOM 110 OD1 ASP A 9 11.150 12.076 -7.203 1.00 0.00 O ATOM 111 OD2 ASP A 9 10.019 10.788 -8.628 1.00 0.00 O ATOM 0 H ASP A 9 11.647 7.822 -5.480 1.00 0.00 H new ATOM 0 HA ASP A 9 10.969 10.481 -4.904 1.00 0.00 H new ATOM 0 HB2 ASP A 9 12.347 9.754 -6.831 1.00 0.00 H new ATOM 0 HB3 ASP A 9 11.004 8.838 -7.487 1.00 0.00 H new ATOM 116 N THR A 10 8.542 8.874 -6.470 1.00 0.00 N ATOM 117 CA THR A 10 7.125 8.875 -6.799 1.00 0.00 C ATOM 118 C THR A 10 6.243 8.850 -5.548 1.00 0.00 C ATOM 119 O THR A 10 5.229 9.542 -5.516 1.00 0.00 O ATOM 120 CB THR A 10 6.839 7.704 -7.748 1.00 0.00 C ATOM 121 OG1 THR A 10 7.481 6.530 -7.288 1.00 0.00 O ATOM 122 CG2 THR A 10 7.373 8.022 -9.149 1.00 0.00 C ATOM 0 H THR A 10 9.067 8.149 -6.960 1.00 0.00 H new ATOM 0 HA THR A 10 6.873 9.806 -7.306 1.00 0.00 H new ATOM 0 HB THR A 10 5.760 7.550 -7.780 1.00 0.00 H new ATOM 0 HG1 THR A 10 7.424 5.835 -7.977 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.166 7.185 -9.816 1.00 0.00 H new ATOM 0 HG22 THR A 10 6.885 8.919 -9.530 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.449 8.188 -9.099 1.00 0.00 H new ATOM 130 N PHE A 11 6.636 8.089 -4.522 1.00 0.00 N ATOM 131 CA PHE A 11 5.956 7.998 -3.232 1.00 0.00 C ATOM 132 C PHE A 11 5.563 9.381 -2.721 1.00 0.00 C ATOM 133 O PHE A 11 4.436 9.621 -2.295 1.00 0.00 O ATOM 134 CB PHE A 11 6.906 7.355 -2.219 1.00 0.00 C ATOM 135 CG PHE A 11 6.320 7.129 -0.841 1.00 0.00 C ATOM 136 CD1 PHE A 11 5.479 6.028 -0.602 1.00 0.00 C ATOM 137 CD2 PHE A 11 6.624 8.016 0.209 1.00 0.00 C ATOM 138 CE1 PHE A 11 4.939 5.815 0.679 1.00 0.00 C ATOM 139 CE2 PHE A 11 6.083 7.804 1.487 1.00 0.00 C ATOM 140 CZ PHE A 11 5.230 6.711 1.721 1.00 0.00 C ATOM 0 H PHE A 11 7.467 7.499 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 11 5.053 7.400 -3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 11 7.241 6.397 -2.616 1.00 0.00 H new ATOM 0 HB3 PHE A 11 7.790 7.986 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 11 5.247 5.344 -1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 11 7.274 8.860 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 11 4.301 4.963 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 11 6.323 8.482 2.293 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.799 6.561 2.700 1.00 0.00 H new ATOM 150 N LYS A 12 6.523 10.297 -2.764 1.00 0.00 N ATOM 151 CA LYS A 12 6.335 11.673 -2.318 1.00 0.00 C ATOM 152 C LYS A 12 5.076 12.274 -2.954 1.00 0.00 C ATOM 153 O LYS A 12 4.206 12.803 -2.266 1.00 0.00 O ATOM 154 CB LYS A 12 7.565 12.517 -2.674 1.00 0.00 C ATOM 155 CG LYS A 12 8.843 11.987 -2.007 1.00 0.00 C ATOM 156 CD LYS A 12 10.085 12.662 -2.601 1.00 0.00 C ATOM 157 CE LYS A 12 11.355 12.016 -2.034 1.00 0.00 C ATOM 158 NZ LYS A 12 12.568 12.551 -2.676 1.00 0.00 N ATOM 0 H LYS A 12 7.462 10.104 -3.112 1.00 0.00 H new ATOM 0 HA LYS A 12 6.210 11.674 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.698 12.525 -3.756 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.397 13.549 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.802 12.171 -0.933 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.909 10.908 -2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.074 12.570 -3.687 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.075 13.727 -2.371 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.404 12.191 -0.959 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.311 10.937 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.408 12.092 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.532 12.362 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.622 13.577 -2.515 1.00 0.00 H new ATOM 172 N ASN A 13 4.962 12.171 -4.277 1.00 0.00 N ATOM 173 CA ASN A 13 3.849 12.737 -5.016 1.00 0.00 C ATOM 174 C ASN A 13 2.577 11.909 -4.829 1.00 0.00 C ATOM 175 O ASN A 13 1.542 12.413 -4.402 1.00 0.00 O ATOM 176 CB ASN A 13 4.217 12.812 -6.503 1.00 0.00 C ATOM 177 CG ASN A 13 5.489 13.611 -6.783 1.00 0.00 C ATOM 178 OD1 ASN A 13 6.369 13.134 -7.491 1.00 0.00 O ATOM 179 ND2 ASN A 13 5.618 14.820 -6.242 1.00 0.00 N ATOM 0 H ASN A 13 5.644 11.690 -4.863 1.00 0.00 H new ATOM 0 HA ASN A 13 3.650 13.738 -4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.342 11.800 -6.888 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.389 13.261 -7.051 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.461 15.368 -6.413 1.00 0.00 H new ATOM 0 HD22 ASN A 13 4.874 15.198 -5.656 1.00 0.00 H new ATOM 186 N VAL A 14 2.670 10.626 -5.168 1.00 0.00 N ATOM 187 CA VAL A 14 1.574 9.670 -5.213 1.00 0.00 C ATOM 188 C VAL A 14 0.987 9.356 -3.838 1.00 0.00 C ATOM 189 O VAL A 14 -0.176 8.952 -3.765 1.00 0.00 O ATOM 190 CB VAL A 14 2.104 8.408 -5.924 1.00 0.00 C ATOM 191 CG1 VAL A 14 1.099 7.255 -5.924 1.00 0.00 C ATOM 192 CG2 VAL A 14 2.471 8.724 -7.382 1.00 0.00 C ATOM 0 H VAL A 14 3.561 10.206 -5.432 1.00 0.00 H new ATOM 0 HA VAL A 14 0.738 10.100 -5.764 1.00 0.00 H new ATOM 0 HB VAL A 14 2.983 8.096 -5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.530 6.396 -6.439 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.861 6.980 -4.897 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.189 7.566 -6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.843 7.822 -7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.587 9.082 -7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.243 9.493 -7.404 1.00 0.00 H new ATOM 202 N VAL A 15 1.757 9.540 -2.761 1.00 0.00 N ATOM 203 CA VAL A 15 1.331 9.230 -1.405 1.00 0.00 C ATOM 204 C VAL A 15 1.350 10.490 -0.535 1.00 0.00 C ATOM 205 O VAL A 15 0.290 11.052 -0.271 1.00 0.00 O ATOM 206 CB VAL A 15 2.201 8.095 -0.829 1.00 0.00 C ATOM 207 CG1 VAL A 15 1.580 7.560 0.465 1.00 0.00 C ATOM 208 CG2 VAL A 15 2.362 6.959 -1.849 1.00 0.00 C ATOM 0 H VAL A 15 2.705 9.913 -2.814 1.00 0.00 H new ATOM 0 HA VAL A 15 0.301 8.875 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 15 3.189 8.498 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.203 6.759 0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.513 8.365 1.197 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.582 7.175 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.980 6.170 -1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.382 6.556 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.839 7.344 -2.750 1.00 0.00 H new ATOM 218 N LEU A 16 2.529 10.964 -0.118 1.00 0.00 N ATOM 219 CA LEU A 16 2.629 12.069 0.836 1.00 0.00 C ATOM 220 C LEU A 16 1.815 13.295 0.411 1.00 0.00 C ATOM 221 O LEU A 16 1.091 13.866 1.221 1.00 0.00 O ATOM 222 CB LEU A 16 4.094 12.454 1.078 1.00 0.00 C ATOM 223 CG LEU A 16 4.949 11.317 1.662 1.00 0.00 C ATOM 224 CD1 LEU A 16 6.359 11.850 1.934 1.00 0.00 C ATOM 225 CD2 LEU A 16 4.364 10.763 2.968 1.00 0.00 C ATOM 0 H LEU A 16 3.429 10.597 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 16 2.199 11.710 1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.534 12.779 0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.128 13.306 1.757 1.00 0.00 H new ATOM 0 HG LEU A 16 4.968 10.504 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.976 11.053 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.801 12.203 1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.305 12.674 2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.002 9.963 3.342 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.310 11.560 3.709 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.364 10.372 2.782 1.00 0.00 H new ATOM 237 N GLU A 17 1.937 13.704 -0.852 1.00 0.00 N ATOM 238 CA GLU A 17 1.252 14.862 -1.413 1.00 0.00 C ATOM 239 C GLU A 17 -0.081 14.479 -2.079 1.00 0.00 C ATOM 240 O GLU A 17 -0.625 15.274 -2.844 1.00 0.00 O ATOM 241 CB GLU A 17 2.185 15.477 -2.463 1.00 0.00 C ATOM 242 CG GLU A 17 3.557 15.913 -1.916 1.00 0.00 C ATOM 243 CD GLU A 17 4.622 15.990 -3.011 1.00 0.00 C ATOM 244 OE1 GLU A 17 4.242 16.186 -4.188 1.00 0.00 O ATOM 245 OE2 GLU A 17 5.809 15.831 -2.656 1.00 0.00 O ATOM 0 H GLU A 17 2.531 13.225 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 17 1.020 15.564 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.340 14.753 -3.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.693 16.342 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.461 16.887 -1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.879 15.210 -1.148 1.00 0.00 H new ATOM 252 N SER A 18 -0.611 13.279 -1.826 1.00 0.00 N ATOM 253 CA SER A 18 -1.802 12.789 -2.514 1.00 0.00 C ATOM 254 C SER A 18 -3.083 13.315 -1.858 1.00 0.00 C ATOM 255 O SER A 18 -3.131 13.537 -0.649 1.00 0.00 O ATOM 256 CB SER A 18 -1.731 11.262 -2.550 1.00 0.00 C ATOM 257 OG SER A 18 -2.346 10.711 -3.696 1.00 0.00 O ATOM 0 H SER A 18 -0.227 12.626 -1.143 1.00 0.00 H new ATOM 0 HA SER A 18 -1.833 13.163 -3.537 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.687 10.951 -2.519 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.210 10.860 -1.657 1.00 0.00 H new ATOM 0 HG SER A 18 -1.797 9.975 -4.040 1.00 0.00 H new ATOM 263 N SER A 19 -4.123 13.524 -2.670 1.00 0.00 N ATOM 264 CA SER A 19 -5.401 14.091 -2.271 1.00 0.00 C ATOM 265 C SER A 19 -6.298 13.050 -1.599 1.00 0.00 C ATOM 266 O SER A 19 -6.664 13.187 -0.432 1.00 0.00 O ATOM 267 CB SER A 19 -6.062 14.631 -3.543 1.00 0.00 C ATOM 268 OG SER A 19 -5.926 13.666 -4.577 1.00 0.00 O ATOM 0 H SER A 19 -4.090 13.291 -3.662 1.00 0.00 H new ATOM 0 HA SER A 19 -5.248 14.882 -1.537 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.116 14.842 -3.360 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.596 15.570 -3.840 1.00 0.00 H new ATOM 0 HG SER A 19 -6.348 14.002 -5.395 1.00 0.00 H new ATOM 274 N VAL A 20 -6.650 12.003 -2.346 1.00 0.00 N ATOM 275 CA VAL A 20 -7.524 10.947 -1.848 1.00 0.00 C ATOM 276 C VAL A 20 -6.710 10.029 -0.937 1.00 0.00 C ATOM 277 O VAL A 20 -5.479 10.032 -0.998 1.00 0.00 O ATOM 278 CB VAL A 20 -8.087 10.080 -3.000 1.00 0.00 C ATOM 279 CG1 VAL A 20 -9.370 10.648 -3.606 1.00 0.00 C ATOM 280 CG2 VAL A 20 -7.066 9.794 -4.109 1.00 0.00 C ATOM 0 H VAL A 20 -6.338 11.866 -3.307 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.353 11.418 -1.320 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.329 9.131 -2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.714 9.995 -4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.139 10.713 -2.836 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.174 11.642 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.530 9.182 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.729 10.735 -4.545 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.212 9.262 -3.689 1.00 0.00 H new ATOM 290 N PRO A 21 -7.383 9.254 -0.070 1.00 0.00 N ATOM 291 CA PRO A 21 -6.735 8.216 0.701 1.00 0.00 C ATOM 292 C PRO A 21 -5.932 7.301 -0.211 1.00 0.00 C ATOM 293 O PRO A 21 -6.176 7.230 -1.414 1.00 0.00 O ATOM 294 CB PRO A 21 -7.850 7.449 1.402 1.00 0.00 C ATOM 295 CG PRO A 21 -8.927 8.506 1.569 1.00 0.00 C ATOM 296 CD PRO A 21 -8.773 9.394 0.331 1.00 0.00 C ATOM 0 HA PRO A 21 -6.034 8.632 1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -8.199 6.606 0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.524 7.047 2.362 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.920 8.059 1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.788 9.075 2.488 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.446 9.078 -0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.014 10.432 0.559 1.00 0.00 H new ATOM 304 N VAL A 22 -4.981 6.585 0.374 1.00 0.00 N ATOM 305 CA VAL A 22 -4.034 5.763 -0.348 1.00 0.00 C ATOM 306 C VAL A 22 -3.827 4.447 0.396 1.00 0.00 C ATOM 307 O VAL A 22 -3.920 4.425 1.623 1.00 0.00 O ATOM 308 CB VAL A 22 -2.705 6.534 -0.460 1.00 0.00 C ATOM 309 CG1 VAL A 22 -1.813 5.926 -1.526 1.00 0.00 C ATOM 310 CG2 VAL A 22 -2.873 8.030 -0.766 1.00 0.00 C ATOM 0 H VAL A 22 -4.848 6.563 1.385 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.410 5.538 -1.346 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.248 6.448 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.881 6.489 -1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.595 4.889 -1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.321 5.963 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.892 8.501 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.395 8.151 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.451 8.501 0.029 1.00 0.00 H new ATOM 320 N LEU A 23 -3.540 3.368 -0.338 1.00 0.00 N ATOM 321 CA LEU A 23 -3.190 2.065 0.234 1.00 0.00 C ATOM 322 C LEU A 23 -1.905 1.582 -0.437 1.00 0.00 C ATOM 323 O LEU A 23 -1.955 1.064 -1.550 1.00 0.00 O ATOM 324 CB LEU A 23 -4.348 1.068 0.074 1.00 0.00 C ATOM 325 CG LEU A 23 -4.068 -0.283 0.766 1.00 0.00 C ATOM 326 CD1 LEU A 23 -5.327 -0.824 1.452 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.585 -1.358 -0.218 1.00 0.00 C ATOM 0 H LEU A 23 -3.544 3.375 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.016 2.152 1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.257 1.503 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.532 0.897 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.285 -0.080 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.100 -1.776 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.666 -0.112 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.112 -0.969 0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.403 -2.288 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.347 -1.523 -0.980 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.662 -1.027 -0.694 1.00 0.00 H new ATOM 339 N VAL A 24 -0.757 1.766 0.221 1.00 0.00 N ATOM 340 CA VAL A 24 0.543 1.386 -0.316 1.00 0.00 C ATOM 341 C VAL A 24 0.943 0.028 0.252 1.00 0.00 C ATOM 342 O VAL A 24 1.104 -0.095 1.468 1.00 0.00 O ATOM 343 CB VAL A 24 1.612 2.429 0.057 1.00 0.00 C ATOM 344 CG1 VAL A 24 2.965 2.071 -0.576 1.00 0.00 C ATOM 345 CG2 VAL A 24 1.219 3.841 -0.391 1.00 0.00 C ATOM 0 H VAL A 24 -0.708 2.187 1.149 1.00 0.00 H new ATOM 0 HA VAL A 24 0.472 1.333 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 24 1.692 2.417 1.144 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.706 2.821 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.287 1.093 -0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.863 2.044 -1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.002 4.544 -0.107 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.092 3.857 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.283 4.128 0.089 1.00 0.00 H new ATOM 355 N ASP A 25 1.135 -0.973 -0.611 1.00 0.00 N ATOM 356 CA ASP A 25 1.631 -2.278 -0.209 1.00 0.00 C ATOM 357 C ASP A 25 3.142 -2.278 -0.430 1.00 0.00 C ATOM 358 O ASP A 25 3.607 -2.162 -1.563 1.00 0.00 O ATOM 359 CB ASP A 25 0.954 -3.401 -1.000 1.00 0.00 C ATOM 360 CG ASP A 25 1.613 -4.755 -0.726 1.00 0.00 C ATOM 361 OD1 ASP A 25 1.972 -4.994 0.449 1.00 0.00 O ATOM 362 OD2 ASP A 25 1.748 -5.525 -1.701 1.00 0.00 O ATOM 0 H ASP A 25 0.948 -0.894 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 25 1.401 -2.463 0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.102 -3.449 -0.735 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.005 -3.179 -2.066 1.00 0.00 H new ATOM 367 N PHE A 26 3.927 -2.365 0.638 1.00 0.00 N ATOM 368 CA PHE A 26 5.373 -2.429 0.522 1.00 0.00 C ATOM 369 C PHE A 26 5.683 -3.874 0.159 1.00 0.00 C ATOM 370 O PHE A 26 5.430 -4.763 0.971 1.00 0.00 O ATOM 371 CB PHE A 26 6.029 -2.001 1.835 1.00 0.00 C ATOM 372 CG PHE A 26 5.940 -0.508 2.104 1.00 0.00 C ATOM 373 CD1 PHE A 26 4.699 0.105 2.365 1.00 0.00 C ATOM 374 CD2 PHE A 26 7.108 0.275 2.102 1.00 0.00 C ATOM 375 CE1 PHE A 26 4.639 1.473 2.670 1.00 0.00 C ATOM 376 CE2 PHE A 26 7.054 1.627 2.486 1.00 0.00 C ATOM 377 CZ PHE A 26 5.820 2.213 2.821 1.00 0.00 C ATOM 0 H PHE A 26 3.581 -2.393 1.597 1.00 0.00 H new ATOM 0 HA PHE A 26 5.766 -1.752 -0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.558 -2.538 2.658 1.00 0.00 H new ATOM 0 HB3 PHE A 26 7.078 -2.297 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.792 -0.480 2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.049 -0.163 1.805 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.681 1.957 2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.959 2.215 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.783 3.227 3.192 1.00 0.00 H new ATOM 387 N TRP A 27 6.174 -4.105 -1.060 1.00 0.00 N ATOM 388 CA TRP A 27 6.412 -5.440 -1.586 1.00 0.00 C ATOM 389 C TRP A 27 7.836 -5.559 -2.118 1.00 0.00 C ATOM 390 O TRP A 27 8.661 -4.655 -1.974 1.00 0.00 O ATOM 391 CB TRP A 27 5.407 -5.725 -2.714 1.00 0.00 C ATOM 392 CG TRP A 27 5.716 -5.015 -3.994 1.00 0.00 C ATOM 393 CD1 TRP A 27 5.625 -3.684 -4.188 1.00 0.00 C ATOM 394 CD2 TRP A 27 6.340 -5.548 -5.196 1.00 0.00 C ATOM 395 NE1 TRP A 27 6.244 -3.336 -5.372 1.00 0.00 N ATOM 396 CE2 TRP A 27 6.730 -4.453 -6.021 1.00 0.00 C ATOM 397 CE3 TRP A 27 6.670 -6.844 -5.649 1.00 0.00 C ATOM 398 CZ2 TRP A 27 7.461 -4.634 -7.204 1.00 0.00 C ATOM 399 CZ3 TRP A 27 7.307 -7.034 -6.887 1.00 0.00 C ATOM 400 CH2 TRP A 27 7.723 -5.935 -7.655 1.00 0.00 C ATOM 0 H TRP A 27 6.418 -3.360 -1.712 1.00 0.00 H new ATOM 0 HA TRP A 27 6.282 -6.167 -0.785 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.382 -6.798 -2.902 1.00 0.00 H new ATOM 0 HB3 TRP A 27 4.410 -5.436 -2.381 1.00 0.00 H new ATOM 0 HD1 TRP A 27 5.139 -2.992 -3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.331 -2.381 -5.720 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.430 -7.700 -5.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 7.818 -3.781 -7.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 7.478 -8.036 -7.252 1.00 0.00 H new ATOM 0 HH2 TRP A 27 8.242 -6.091 -8.589 1.00 0.00 H new ATOM 411 N ALA A 28 8.128 -6.680 -2.775 1.00 0.00 N ATOM 412 CA ALA A 28 9.379 -6.922 -3.477 1.00 0.00 C ATOM 413 C ALA A 28 9.217 -8.190 -4.312 1.00 0.00 C ATOM 414 O ALA A 28 8.442 -9.062 -3.927 1.00 0.00 O ATOM 415 CB ALA A 28 10.543 -7.102 -2.499 1.00 0.00 C ATOM 0 H ALA A 28 7.480 -7.465 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 28 9.605 -6.063 -4.108 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.462 -7.281 -3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.654 -6.201 -1.896 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.342 -7.952 -1.847 1.00 0.00 H new ATOM 421 N PRO A 29 9.928 -8.340 -5.435 1.00 0.00 N ATOM 422 CA PRO A 29 9.839 -9.536 -6.260 1.00 0.00 C ATOM 423 C PRO A 29 10.179 -10.819 -5.502 1.00 0.00 C ATOM 424 O PRO A 29 9.621 -11.866 -5.811 1.00 0.00 O ATOM 425 CB PRO A 29 10.771 -9.286 -7.443 1.00 0.00 C ATOM 426 CG PRO A 29 11.700 -8.164 -6.972 1.00 0.00 C ATOM 427 CD PRO A 29 10.771 -7.349 -6.079 1.00 0.00 C ATOM 0 HA PRO A 29 8.814 -9.703 -6.590 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.333 -10.184 -7.702 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.213 -8.992 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 29 12.561 -8.548 -6.425 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.087 -7.576 -7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.332 -6.768 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 29 10.180 -6.642 -6.661 1.00 0.00 H new ATOM 435 N TRP A 30 11.077 -10.772 -4.517 1.00 0.00 N ATOM 436 CA TRP A 30 11.392 -11.949 -3.711 1.00 0.00 C ATOM 437 C TRP A 30 10.325 -12.191 -2.630 1.00 0.00 C ATOM 438 O TRP A 30 10.352 -13.219 -1.956 1.00 0.00 O ATOM 439 CB TRP A 30 12.790 -11.780 -3.095 1.00 0.00 C ATOM 440 CG TRP A 30 13.100 -10.463 -2.442 1.00 0.00 C ATOM 441 CD1 TRP A 30 13.914 -9.515 -2.958 1.00 0.00 C ATOM 442 CD2 TRP A 30 12.653 -9.938 -1.154 1.00 0.00 C ATOM 443 NE1 TRP A 30 13.996 -8.440 -2.099 1.00 0.00 N ATOM 444 CE2 TRP A 30 13.219 -8.639 -0.975 1.00 0.00 C ATOM 445 CE3 TRP A 30 11.836 -10.427 -0.112 1.00 0.00 C ATOM 446 CZ2 TRP A 30 12.954 -7.854 0.159 1.00 0.00 C ATOM 447 CZ3 TRP A 30 11.562 -9.648 1.027 1.00 0.00 C ATOM 448 CH2 TRP A 30 12.095 -8.354 1.152 1.00 0.00 C ATOM 0 H TRP A 30 11.597 -9.933 -4.260 1.00 0.00 H new ATOM 0 HA TRP A 30 11.392 -12.830 -4.352 1.00 0.00 H new ATOM 0 HB2 TRP A 30 12.929 -12.566 -2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 30 13.527 -11.949 -3.880 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.426 -9.589 -3.906 1.00 0.00 H new ATOM 0 HE1 TRP A 30 14.558 -7.606 -2.271 1.00 0.00 H new ATOM 0 HE3 TRP A 30 11.413 -11.418 -0.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 13.405 -6.878 0.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 10.937 -10.048 1.812 1.00 0.00 H new ATOM 0 HH2 TRP A 30 11.845 -7.746 2.009 1.00 0.00 H new ATOM 459 N CYS A 31 9.370 -11.275 -2.452 1.00 0.00 N ATOM 460 CA CYS A 31 8.388 -11.381 -1.384 1.00 0.00 C ATOM 461 C CYS A 31 7.235 -12.324 -1.738 1.00 0.00 C ATOM 462 O CYS A 31 6.163 -11.884 -2.152 1.00 0.00 O ATOM 463 CB CYS A 31 7.847 -9.999 -1.038 1.00 0.00 C ATOM 464 SG CYS A 31 6.681 -10.057 0.333 1.00 0.00 S ATOM 0 H CYS A 31 9.261 -10.449 -3.040 1.00 0.00 H new ATOM 0 HA CYS A 31 8.896 -11.807 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.676 -9.339 -0.782 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.357 -9.572 -1.913 1.00 0.00 H new ATOM 469 N GLY A 32 7.439 -13.626 -1.532 1.00 0.00 N ATOM 470 CA GLY A 32 6.408 -14.651 -1.694 1.00 0.00 C ATOM 471 C GLY A 32 5.033 -14.229 -1.155 1.00 0.00 C ATOM 472 O GLY A 32 4.068 -14.211 -1.923 1.00 0.00 O ATOM 0 H GLY A 32 8.341 -14.004 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.315 -14.897 -2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.727 -15.559 -1.182 1.00 0.00 H new ATOM 476 N PRO A 33 4.905 -13.873 0.138 1.00 0.00 N ATOM 477 CA PRO A 33 3.624 -13.460 0.695 1.00 0.00 C ATOM 478 C PRO A 33 3.051 -12.207 0.020 1.00 0.00 C ATOM 479 O PRO A 33 1.849 -11.974 0.117 1.00 0.00 O ATOM 480 CB PRO A 33 3.848 -13.269 2.197 1.00 0.00 C ATOM 481 CG PRO A 33 5.359 -13.124 2.348 1.00 0.00 C ATOM 482 CD PRO A 33 5.915 -13.947 1.186 1.00 0.00 C ATOM 0 HA PRO A 33 2.868 -14.223 0.511 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.327 -12.386 2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.473 -14.121 2.765 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.670 -12.081 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 33 5.704 -13.503 3.310 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.868 -13.546 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.094 -14.979 1.486 1.00 0.00 H new ATOM 490 N CYS A 34 3.869 -11.397 -0.660 1.00 0.00 N ATOM 491 CA CYS A 34 3.383 -10.245 -1.392 1.00 0.00 C ATOM 492 C CYS A 34 2.848 -10.723 -2.737 1.00 0.00 C ATOM 493 O CYS A 34 1.735 -10.370 -3.111 1.00 0.00 O ATOM 494 CB CYS A 34 4.460 -9.206 -1.635 1.00 0.00 C ATOM 495 SG CYS A 34 5.343 -8.566 -0.192 1.00 0.00 S ATOM 0 H CYS A 34 4.879 -11.529 -0.713 1.00 0.00 H new ATOM 0 HA CYS A 34 2.606 -9.772 -0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.195 -9.636 -2.316 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.003 -8.362 -2.151 1.00 0.00 H new ATOM 500 N ARG A 35 3.630 -11.527 -3.474 1.00 0.00 N ATOM 501 CA ARG A 35 3.256 -12.041 -4.787 1.00 0.00 C ATOM 502 C ARG A 35 1.820 -12.556 -4.788 1.00 0.00 C ATOM 503 O ARG A 35 1.028 -12.207 -5.657 1.00 0.00 O ATOM 504 CB ARG A 35 4.160 -13.214 -5.182 1.00 0.00 C ATOM 505 CG ARG A 35 5.625 -12.872 -5.455 1.00 0.00 C ATOM 506 CD ARG A 35 6.327 -14.161 -5.897 1.00 0.00 C ATOM 507 NE ARG A 35 7.770 -13.958 -6.030 1.00 0.00 N ATOM 508 CZ ARG A 35 8.665 -14.914 -6.303 1.00 0.00 C ATOM 509 NH1 ARG A 35 8.280 -16.180 -6.495 1.00 0.00 N ATOM 510 NH2 ARG A 35 9.953 -14.573 -6.382 1.00 0.00 N ATOM 0 H ARG A 35 4.551 -11.838 -3.165 1.00 0.00 H new ATOM 0 HA ARG A 35 3.361 -11.216 -5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.124 -13.958 -4.386 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.745 -13.682 -6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.702 -12.109 -6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.097 -12.467 -4.560 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.133 -14.951 -5.171 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.915 -14.495 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 35 8.123 -13.009 -5.904 1.00 0.00 H new ATOM 0 HH11 ARG A 35 7.292 -16.428 -6.434 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.974 -16.898 -6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 35 10.234 -13.603 -6.236 1.00 0.00 H new ATOM 0 HH22 ARG A 35 10.657 -15.282 -6.589 1.00 0.00 H new ATOM 524 N ILE A 36 1.498 -13.400 -3.808 1.00 0.00 N ATOM 525 CA ILE A 36 0.186 -14.021 -3.741 1.00 0.00 C ATOM 526 C ILE A 36 -0.934 -12.998 -3.487 1.00 0.00 C ATOM 527 O ILE A 36 -2.062 -13.267 -3.895 1.00 0.00 O ATOM 528 CB ILE A 36 0.212 -15.221 -2.768 1.00 0.00 C ATOM 529 CG1 ILE A 36 0.687 -14.897 -1.341 1.00 0.00 C ATOM 530 CG2 ILE A 36 1.158 -16.285 -3.348 1.00 0.00 C ATOM 531 CD1 ILE A 36 -0.472 -14.475 -0.439 1.00 0.00 C ATOM 0 H ILE A 36 2.130 -13.666 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.064 -14.433 -4.719 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.821 -15.557 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.180 -15.771 -0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.429 -14.099 -1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.194 -17.144 -2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.794 -16.602 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.158 -15.865 -3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.094 -14.255 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.948 -13.585 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.201 -15.283 -0.381 1.00 0.00 H new ATOM 543 N ILE A 37 -0.674 -11.837 -2.859 1.00 0.00 N ATOM 544 CA ILE A 37 -1.710 -10.811 -2.718 1.00 0.00 C ATOM 545 C ILE A 37 -1.673 -9.851 -3.914 1.00 0.00 C ATOM 546 O ILE A 37 -2.718 -9.345 -4.296 1.00 0.00 O ATOM 547 CB ILE A 37 -1.634 -10.044 -1.379 1.00 0.00 C ATOM 548 CG1 ILE A 37 -0.294 -9.328 -1.171 1.00 0.00 C ATOM 549 CG2 ILE A 37 -1.898 -10.997 -0.204 1.00 0.00 C ATOM 550 CD1 ILE A 37 -0.307 -8.379 0.027 1.00 0.00 C ATOM 0 H ILE A 37 0.228 -11.593 -2.450 1.00 0.00 H new ATOM 0 HA ILE A 37 -2.669 -11.329 -2.707 1.00 0.00 H new ATOM 0 HB ILE A 37 -2.406 -9.275 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.491 -10.071 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.045 -8.766 -2.071 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.841 -10.443 0.733 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.891 -11.435 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.150 -11.789 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.668 -7.902 0.124 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.071 -7.616 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.527 -8.941 0.934 1.00 0.00 H new ATOM 562 N ALA A 38 -0.516 -9.630 -4.551 1.00 0.00 N ATOM 563 CA ALA A 38 -0.332 -8.667 -5.638 1.00 0.00 C ATOM 564 C ALA A 38 -1.487 -8.566 -6.660 1.00 0.00 C ATOM 565 O ALA A 38 -1.950 -7.448 -6.891 1.00 0.00 O ATOM 566 CB ALA A 38 0.995 -8.958 -6.349 1.00 0.00 C ATOM 0 H ALA A 38 0.340 -10.132 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.323 -7.688 -5.159 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.138 -8.244 -7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.816 -8.868 -5.638 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.976 -9.969 -6.755 1.00 0.00 H new ATOM 572 N PRO A 39 -1.993 -9.648 -7.283 1.00 0.00 N ATOM 573 CA PRO A 39 -3.065 -9.507 -8.259 1.00 0.00 C ATOM 574 C PRO A 39 -4.364 -9.107 -7.551 1.00 0.00 C ATOM 575 O PRO A 39 -5.223 -8.432 -8.116 1.00 0.00 O ATOM 576 CB PRO A 39 -3.169 -10.864 -8.954 1.00 0.00 C ATOM 577 CG PRO A 39 -2.746 -11.849 -7.866 1.00 0.00 C ATOM 578 CD PRO A 39 -1.756 -11.059 -7.005 1.00 0.00 C ATOM 0 HA PRO A 39 -2.871 -8.724 -8.992 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.183 -11.061 -9.303 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.516 -10.921 -9.825 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.601 -12.187 -7.281 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -2.281 -12.738 -8.293 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.905 -11.275 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.729 -11.334 -7.245 1.00 0.00 H new ATOM 586 N VAL A 40 -4.493 -9.512 -6.288 1.00 0.00 N ATOM 587 CA VAL A 40 -5.623 -9.183 -5.447 1.00 0.00 C ATOM 588 C VAL A 40 -5.532 -7.690 -5.086 1.00 0.00 C ATOM 589 O VAL A 40 -6.536 -6.980 -5.113 1.00 0.00 O ATOM 590 CB VAL A 40 -5.665 -10.114 -4.219 1.00 0.00 C ATOM 591 CG1 VAL A 40 -7.101 -10.182 -3.702 1.00 0.00 C ATOM 592 CG2 VAL A 40 -5.236 -11.557 -4.533 1.00 0.00 C ATOM 0 H VAL A 40 -3.795 -10.090 -5.819 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.566 -9.344 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.969 -9.698 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.144 -10.838 -2.833 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.434 -9.183 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.751 -10.573 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.289 -12.158 -3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.901 -11.979 -5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.213 -11.559 -4.910 1.00 0.00 H new ATOM 602 N VAL A 41 -4.326 -7.192 -4.778 1.00 0.00 N ATOM 603 CA VAL A 41 -4.073 -5.775 -4.538 1.00 0.00 C ATOM 604 C VAL A 41 -4.552 -5.022 -5.782 1.00 0.00 C ATOM 605 O VAL A 41 -5.279 -4.041 -5.661 1.00 0.00 O ATOM 606 CB VAL A 41 -2.577 -5.509 -4.240 1.00 0.00 C ATOM 607 CG1 VAL A 41 -2.297 -4.017 -4.016 1.00 0.00 C ATOM 608 CG2 VAL A 41 -2.060 -6.245 -2.996 1.00 0.00 C ATOM 0 H VAL A 41 -3.493 -7.774 -4.689 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.612 -5.429 -3.656 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.060 -5.881 -5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.236 -3.873 -3.810 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.572 -3.457 -4.910 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.883 -3.660 -3.169 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.005 -6.013 -2.848 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.628 -5.926 -2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.179 -7.320 -3.133 1.00 0.00 H new ATOM 618 N ASP A 42 -4.184 -5.503 -6.974 1.00 0.00 N ATOM 619 CA ASP A 42 -4.609 -4.889 -8.226 1.00 0.00 C ATOM 620 C ASP A 42 -6.133 -4.904 -8.396 1.00 0.00 C ATOM 621 O ASP A 42 -6.717 -3.851 -8.635 1.00 0.00 O ATOM 622 CB ASP A 42 -3.936 -5.581 -9.415 1.00 0.00 C ATOM 623 CG ASP A 42 -2.519 -5.076 -9.646 1.00 0.00 C ATOM 624 OD1 ASP A 42 -2.381 -3.857 -9.897 1.00 0.00 O ATOM 625 OD2 ASP A 42 -1.582 -5.900 -9.613 1.00 0.00 O ATOM 0 H ASP A 42 -3.588 -6.322 -7.093 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.298 -3.845 -8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.913 -6.657 -9.242 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.530 -5.415 -10.314 1.00 0.00 H new ATOM 630 N GLU A 43 -6.816 -6.049 -8.313 1.00 0.00 N ATOM 631 CA GLU A 43 -8.259 -6.019 -8.535 1.00 0.00 C ATOM 632 C GLU A 43 -8.947 -5.116 -7.503 1.00 0.00 C ATOM 633 O GLU A 43 -9.837 -4.330 -7.842 1.00 0.00 O ATOM 634 CB GLU A 43 -8.835 -7.434 -8.553 1.00 0.00 C ATOM 635 CG GLU A 43 -9.055 -8.046 -7.167 1.00 0.00 C ATOM 636 CD GLU A 43 -9.418 -9.518 -7.259 1.00 0.00 C ATOM 637 OE1 GLU A 43 -10.605 -9.790 -7.543 1.00 0.00 O ATOM 638 OE2 GLU A 43 -8.505 -10.344 -7.046 1.00 0.00 O ATOM 0 H GLU A 43 -6.416 -6.964 -8.104 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.455 -5.587 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.786 -7.419 -9.085 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.163 -8.079 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.151 -7.930 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.849 -7.506 -6.652 1.00 0.00 H new ATOM 645 N ILE A 44 -8.507 -5.196 -6.241 1.00 0.00 N ATOM 646 CA ILE A 44 -9.047 -4.331 -5.205 1.00 0.00 C ATOM 647 C ILE A 44 -8.769 -2.889 -5.607 1.00 0.00 C ATOM 648 O ILE A 44 -9.654 -2.049 -5.470 1.00 0.00 O ATOM 649 CB ILE A 44 -8.485 -4.708 -3.823 1.00 0.00 C ATOM 650 CG1 ILE A 44 -9.134 -6.014 -3.320 1.00 0.00 C ATOM 651 CG2 ILE A 44 -8.692 -3.599 -2.779 1.00 0.00 C ATOM 652 CD1 ILE A 44 -10.659 -6.009 -3.150 1.00 0.00 C ATOM 0 H ILE A 44 -7.787 -5.845 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.126 -4.457 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.411 -4.848 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.872 -6.812 -4.014 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.686 -6.268 -2.359 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.277 -3.917 -1.823 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.188 -2.690 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.758 -3.402 -2.664 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.988 -6.984 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.942 -5.243 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.131 -5.796 -4.109 1.00 0.00 H new ATOM 664 N ALA A 45 -7.577 -2.581 -6.124 1.00 0.00 N ATOM 665 CA ALA A 45 -7.278 -1.246 -6.614 1.00 0.00 C ATOM 666 C ALA A 45 -8.325 -0.841 -7.641 1.00 0.00 C ATOM 667 O ALA A 45 -8.899 0.233 -7.525 1.00 0.00 O ATOM 668 CB ALA A 45 -5.894 -1.189 -7.258 1.00 0.00 C ATOM 0 H ALA A 45 -6.806 -3.244 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.292 -0.560 -5.767 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.700 -0.177 -7.615 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.139 -1.466 -6.522 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.854 -1.883 -8.097 1.00 0.00 H new ATOM 674 N GLY A 46 -8.577 -1.700 -8.634 1.00 0.00 N ATOM 675 CA GLY A 46 -9.563 -1.435 -9.668 1.00 0.00 C ATOM 676 C GLY A 46 -10.896 -1.004 -9.064 1.00 0.00 C ATOM 677 O GLY A 46 -11.463 0.009 -9.465 1.00 0.00 O ATOM 0 H GLY A 46 -8.100 -2.596 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.194 -0.655 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.708 -2.330 -10.274 1.00 0.00 H new ATOM 681 N GLU A 47 -11.382 -1.772 -8.089 1.00 0.00 N ATOM 682 CA GLU A 47 -12.640 -1.489 -7.423 1.00 0.00 C ATOM 683 C GLU A 47 -12.605 -0.192 -6.600 1.00 0.00 C ATOM 684 O GLU A 47 -13.398 0.722 -6.811 1.00 0.00 O ATOM 685 CB GLU A 47 -12.977 -2.678 -6.520 1.00 0.00 C ATOM 686 CG GLU A 47 -13.267 -3.970 -7.292 1.00 0.00 C ATOM 687 CD GLU A 47 -13.500 -5.121 -6.317 1.00 0.00 C ATOM 688 OE1 GLU A 47 -14.330 -4.910 -5.404 1.00 0.00 O ATOM 689 OE2 GLU A 47 -12.834 -6.166 -6.486 1.00 0.00 O ATOM 0 H GLU A 47 -10.909 -2.607 -7.743 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.405 -1.343 -8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.146 -2.852 -5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.845 -2.426 -5.910 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.144 -3.836 -7.925 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.431 -4.205 -7.951 1.00 0.00 H new ATOM 696 N TYR A 48 -11.697 -0.112 -5.629 1.00 0.00 N ATOM 697 CA TYR A 48 -11.665 0.974 -4.648 1.00 0.00 C ATOM 698 C TYR A 48 -10.906 2.228 -5.113 1.00 0.00 C ATOM 699 O TYR A 48 -10.888 3.208 -4.366 1.00 0.00 O ATOM 700 CB TYR A 48 -11.090 0.439 -3.321 1.00 0.00 C ATOM 701 CG TYR A 48 -11.976 -0.575 -2.611 1.00 0.00 C ATOM 702 CD1 TYR A 48 -12.080 -1.896 -3.085 1.00 0.00 C ATOM 703 CD2 TYR A 48 -12.736 -0.188 -1.491 1.00 0.00 C ATOM 704 CE1 TYR A 48 -13.013 -2.785 -2.528 1.00 0.00 C ATOM 705 CE2 TYR A 48 -13.657 -1.081 -0.916 1.00 0.00 C ATOM 706 CZ TYR A 48 -13.815 -2.372 -1.453 1.00 0.00 C ATOM 707 OH TYR A 48 -14.739 -3.229 -0.937 1.00 0.00 O ATOM 0 H TYR A 48 -10.958 -0.803 -5.499 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.694 1.307 -4.512 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.121 -0.020 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -10.914 1.280 -2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.436 -2.229 -3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -12.611 0.799 -1.072 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.113 -3.784 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -14.243 -0.776 -0.062 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.095 -2.861 -0.101 1.00 0.00 H new ATOM 717 N LYS A 49 -10.350 2.236 -6.334 1.00 0.00 N ATOM 718 CA LYS A 49 -9.503 3.302 -6.878 1.00 0.00 C ATOM 719 C LYS A 49 -9.979 4.706 -6.492 1.00 0.00 C ATOM 720 O LYS A 49 -9.194 5.539 -6.046 1.00 0.00 O ATOM 721 CB LYS A 49 -9.442 3.197 -8.415 1.00 0.00 C ATOM 722 CG LYS A 49 -8.100 3.742 -8.925 1.00 0.00 C ATOM 723 CD LYS A 49 -7.919 3.578 -10.442 1.00 0.00 C ATOM 724 CE LYS A 49 -8.012 2.125 -10.929 1.00 0.00 C ATOM 725 NZ LYS A 49 -7.170 1.209 -10.136 1.00 0.00 N ATOM 0 H LYS A 49 -10.485 1.469 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.514 3.161 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -9.562 2.158 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.264 3.758 -8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.023 4.799 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.287 3.229 -8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.677 4.171 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.949 3.985 -10.728 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -9.049 1.794 -10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.711 2.076 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.241 0.247 -10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.180 1.526 -10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.494 1.207 -9.148 1.00 0.00 H new ATOM 739 N ASP A 50 -11.276 4.949 -6.692 1.00 0.00 N ATOM 740 CA ASP A 50 -11.961 6.205 -6.418 1.00 0.00 C ATOM 741 C ASP A 50 -11.616 6.774 -5.042 1.00 0.00 C ATOM 742 O ASP A 50 -11.126 7.891 -4.911 1.00 0.00 O ATOM 743 CB ASP A 50 -13.468 5.937 -6.494 1.00 0.00 C ATOM 744 CG ASP A 50 -14.277 7.182 -6.152 1.00 0.00 C ATOM 745 OD1 ASP A 50 -14.343 8.072 -7.025 1.00 0.00 O ATOM 746 OD2 ASP A 50 -14.813 7.215 -5.023 1.00 0.00 O ATOM 0 H ASP A 50 -11.904 4.238 -7.068 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.642 6.943 -7.154 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.728 5.598 -7.497 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.730 5.132 -5.807 1.00 0.00 H new ATOM 751 N LYS A 51 -11.924 5.985 -4.018 1.00 0.00 N ATOM 752 CA LYS A 51 -11.770 6.344 -2.620 1.00 0.00 C ATOM 753 C LYS A 51 -10.350 6.112 -2.108 1.00 0.00 C ATOM 754 O LYS A 51 -9.890 6.788 -1.192 1.00 0.00 O ATOM 755 CB LYS A 51 -12.709 5.452 -1.800 1.00 0.00 C ATOM 756 CG LYS A 51 -14.173 5.524 -2.246 1.00 0.00 C ATOM 757 CD LYS A 51 -15.091 4.802 -1.248 1.00 0.00 C ATOM 758 CE LYS A 51 -14.748 3.323 -1.010 1.00 0.00 C ATOM 759 NZ LYS A 51 -14.710 2.549 -2.264 1.00 0.00 N ATOM 0 H LYS A 51 -12.301 5.046 -4.147 1.00 0.00 H new ATOM 0 HA LYS A 51 -11.998 7.405 -2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -12.368 4.419 -1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -12.644 5.739 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -14.478 6.567 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.278 5.074 -3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.052 5.328 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.118 4.869 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.781 3.252 -0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -15.485 2.885 -0.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.442 1.566 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.649 2.565 -2.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.012 2.969 -2.910 1.00 0.00 H new ATOM 773 N LEU A 52 -9.677 5.124 -2.689 1.00 0.00 N ATOM 774 CA LEU A 52 -8.425 4.584 -2.193 1.00 0.00 C ATOM 775 C LEU A 52 -7.409 4.431 -3.319 1.00 0.00 C ATOM 776 O LEU A 52 -7.558 3.550 -4.164 1.00 0.00 O ATOM 777 CB LEU A 52 -8.781 3.218 -1.592 1.00 0.00 C ATOM 778 CG LEU A 52 -7.670 2.569 -0.764 1.00 0.00 C ATOM 779 CD1 LEU A 52 -7.690 3.154 0.651 1.00 0.00 C ATOM 780 CD2 LEU A 52 -7.955 1.065 -0.715 1.00 0.00 C ATOM 0 H LEU A 52 -10.000 4.667 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.967 5.245 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.663 3.333 -0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.053 2.541 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.690 2.755 -1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.900 2.695 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.528 4.231 0.602 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.656 2.953 1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.181 0.567 -0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.926 0.894 -0.251 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.961 0.663 -1.728 1.00 0.00 H new ATOM 792 N LYS A 53 -6.344 5.230 -3.329 1.00 0.00 N ATOM 793 CA LYS A 53 -5.327 5.129 -4.347 1.00 0.00 C ATOM 794 C LYS A 53 -4.442 3.956 -3.941 1.00 0.00 C ATOM 795 O LYS A 53 -3.551 4.090 -3.107 1.00 0.00 O ATOM 796 CB LYS A 53 -4.595 6.473 -4.429 1.00 0.00 C ATOM 797 CG LYS A 53 -3.892 6.709 -5.775 1.00 0.00 C ATOM 798 CD LYS A 53 -2.652 5.826 -5.975 1.00 0.00 C ATOM 799 CE LYS A 53 -2.032 6.019 -7.364 1.00 0.00 C ATOM 800 NZ LYS A 53 -2.863 5.412 -8.420 1.00 0.00 N ATOM 0 H LYS A 53 -6.172 5.956 -2.634 1.00 0.00 H new ATOM 0 HA LYS A 53 -5.712 4.936 -5.348 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.310 7.278 -4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.857 6.525 -3.629 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.598 6.521 -6.584 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.599 7.756 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.911 6.061 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.926 4.779 -5.842 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.910 7.084 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.037 5.575 -7.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.358 5.457 -9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.057 4.419 -8.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.761 5.932 -8.497 1.00 0.00 H new ATOM 814 N CYS A 54 -4.712 2.775 -4.487 1.00 0.00 N ATOM 815 CA CYS A 54 -3.924 1.606 -4.139 1.00 0.00 C ATOM 816 C CYS A 54 -2.605 1.636 -4.915 1.00 0.00 C ATOM 817 O CYS A 54 -2.571 2.040 -6.082 1.00 0.00 O ATOM 818 CB CYS A 54 -4.717 0.347 -4.431 1.00 0.00 C ATOM 819 SG CYS A 54 -3.715 -1.053 -3.908 1.00 0.00 S ATOM 0 H CYS A 54 -5.459 2.606 -5.161 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.693 1.612 -3.074 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.667 0.360 -3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.949 0.277 -5.494 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.360 -2.158 -4.139 1.00 0.00 H new ATOM 825 N VAL A 55 -1.509 1.251 -4.259 1.00 0.00 N ATOM 826 CA VAL A 55 -0.172 1.329 -4.808 1.00 0.00 C ATOM 827 C VAL A 55 0.685 0.205 -4.246 1.00 0.00 C ATOM 828 O VAL A 55 0.331 -0.414 -3.243 1.00 0.00 O ATOM 829 CB VAL A 55 0.477 2.694 -4.474 1.00 0.00 C ATOM 830 CG1 VAL A 55 0.961 3.358 -5.759 1.00 0.00 C ATOM 831 CG2 VAL A 55 -0.428 3.688 -3.736 1.00 0.00 C ATOM 0 H VAL A 55 -1.536 0.870 -3.313 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.238 1.229 -5.891 1.00 0.00 H new ATOM 0 HB VAL A 55 1.294 2.456 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.418 4.319 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.696 2.717 -6.245 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.115 3.513 -6.429 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.121 4.611 -3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.305 3.904 -4.346 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.744 3.256 -2.787 1.00 0.00 H new ATOM 841 N LYS A 56 1.831 -0.025 -4.884 1.00 0.00 N ATOM 842 CA LYS A 56 2.804 -1.026 -4.497 1.00 0.00 C ATOM 843 C LYS A 56 4.205 -0.404 -4.517 1.00 0.00 C ATOM 844 O LYS A 56 4.671 0.025 -5.576 1.00 0.00 O ATOM 845 CB LYS A 56 2.671 -2.222 -5.449 1.00 0.00 C ATOM 846 CG LYS A 56 1.871 -3.334 -4.757 1.00 0.00 C ATOM 847 CD LYS A 56 1.628 -4.561 -5.642 1.00 0.00 C ATOM 848 CE LYS A 56 0.602 -4.271 -6.743 1.00 0.00 C ATOM 849 NZ LYS A 56 0.248 -5.500 -7.474 1.00 0.00 N ATOM 0 H LYS A 56 2.110 0.502 -5.711 1.00 0.00 H new ATOM 0 HA LYS A 56 2.629 -1.383 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.171 -1.916 -6.368 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.658 -2.589 -5.730 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.402 -3.645 -3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.910 -2.932 -4.437 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.568 -4.875 -6.095 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.277 -5.390 -5.027 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.295 -3.835 -6.303 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.007 -3.535 -7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.268 -5.251 -8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.115 -6.018 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -0.353 -6.100 -6.874 1.00 0.00 H new ATOM 863 N LEU A 57 4.872 -0.339 -3.355 1.00 0.00 N ATOM 864 CA LEU A 57 6.221 0.220 -3.250 1.00 0.00 C ATOM 865 C LEU A 57 7.259 -0.897 -3.233 1.00 0.00 C ATOM 866 O LEU A 57 7.208 -1.797 -2.396 1.00 0.00 O ATOM 867 CB LEU A 57 6.371 1.110 -2.007 1.00 0.00 C ATOM 868 CG LEU A 57 7.683 1.919 -2.041 1.00 0.00 C ATOM 869 CD1 LEU A 57 7.421 3.400 -1.754 1.00 0.00 C ATOM 870 CD2 LEU A 57 8.667 1.388 -0.997 1.00 0.00 C ATOM 0 H LEU A 57 4.491 -0.671 -2.469 1.00 0.00 H new ATOM 0 HA LEU A 57 6.389 0.846 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.524 1.793 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.349 0.490 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 57 8.107 1.812 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 57 8.362 3.948 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.743 3.802 -2.507 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.971 3.505 -0.767 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.587 1.971 -1.035 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.225 1.472 -0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.891 0.342 -1.207 1.00 0.00 H new ATOM 882 N ASN A 58 8.211 -0.855 -4.171 1.00 0.00 N ATOM 883 CA ASN A 58 9.276 -1.849 -4.203 1.00 0.00 C ATOM 884 C ASN A 58 10.282 -1.525 -3.098 1.00 0.00 C ATOM 885 O ASN A 58 11.042 -0.564 -3.182 1.00 0.00 O ATOM 886 CB ASN A 58 9.938 -1.906 -5.577 1.00 0.00 C ATOM 887 CG ASN A 58 10.964 -3.038 -5.612 1.00 0.00 C ATOM 888 OD1 ASN A 58 11.909 -3.060 -4.830 1.00 0.00 O ATOM 889 ND2 ASN A 58 10.784 -4.009 -6.496 1.00 0.00 N ATOM 0 H ASN A 58 8.262 -0.151 -4.907 1.00 0.00 H new ATOM 0 HA ASN A 58 8.859 -2.840 -4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.184 -2.063 -6.348 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.424 -0.955 -5.796 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.437 -4.792 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.992 -3.974 -7.138 1.00 0.00 H new ATOM 896 N THR A 59 10.285 -2.360 -2.066 1.00 0.00 N ATOM 897 CA THR A 59 11.068 -2.181 -0.854 1.00 0.00 C ATOM 898 C THR A 59 12.566 -2.351 -1.118 1.00 0.00 C ATOM 899 O THR A 59 13.385 -1.740 -0.442 1.00 0.00 O ATOM 900 CB THR A 59 10.557 -3.187 0.191 1.00 0.00 C ATOM 901 OG1 THR A 59 9.145 -3.111 0.271 1.00 0.00 O ATOM 902 CG2 THR A 59 11.128 -2.902 1.581 1.00 0.00 C ATOM 0 H THR A 59 9.721 -3.210 -2.052 1.00 0.00 H new ATOM 0 HA THR A 59 10.944 -1.165 -0.480 1.00 0.00 H new ATOM 0 HB THR A 59 10.880 -4.179 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.747 -3.667 -0.431 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.743 -3.635 2.290 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.216 -2.966 1.548 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.833 -1.901 1.897 1.00 0.00 H new ATOM 910 N ASP A 60 12.935 -3.174 -2.099 1.00 0.00 N ATOM 911 CA ASP A 60 14.333 -3.443 -2.424 1.00 0.00 C ATOM 912 C ASP A 60 14.967 -2.216 -3.086 1.00 0.00 C ATOM 913 O ASP A 60 16.082 -1.810 -2.768 1.00 0.00 O ATOM 914 CB ASP A 60 14.368 -4.662 -3.349 1.00 0.00 C ATOM 915 CG ASP A 60 15.738 -5.332 -3.365 1.00 0.00 C ATOM 916 OD1 ASP A 60 16.694 -4.710 -3.876 1.00 0.00 O ATOM 917 OD2 ASP A 60 15.792 -6.473 -2.854 1.00 0.00 O ATOM 0 H ASP A 60 12.271 -3.673 -2.691 1.00 0.00 H new ATOM 0 HA ASP A 60 14.909 -3.652 -1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.616 -5.383 -3.027 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.103 -4.356 -4.361 1.00 0.00 H new ATOM 922 N GLU A 61 14.202 -1.622 -4.004 1.00 0.00 N ATOM 923 CA GLU A 61 14.550 -0.443 -4.784 1.00 0.00 C ATOM 924 C GLU A 61 14.322 0.850 -3.989 1.00 0.00 C ATOM 925 O GLU A 61 14.944 1.873 -4.263 1.00 0.00 O ATOM 926 CB GLU A 61 13.681 -0.467 -6.047 1.00 0.00 C ATOM 927 CG GLU A 61 13.976 0.662 -7.042 1.00 0.00 C ATOM 928 CD GLU A 61 15.386 0.578 -7.622 1.00 0.00 C ATOM 929 OE1 GLU A 61 15.700 -0.489 -8.192 1.00 0.00 O ATOM 930 OE2 GLU A 61 16.120 1.582 -7.492 1.00 0.00 O ATOM 0 H GLU A 61 13.272 -1.974 -4.232 1.00 0.00 H new ATOM 0 HA GLU A 61 15.610 -0.462 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 61 13.820 -1.424 -6.550 1.00 0.00 H new ATOM 0 HB3 GLU A 61 12.633 -0.411 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 61 13.250 0.625 -7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 61 13.848 1.623 -6.544 1.00 0.00 H new ATOM 937 N SER A 62 13.391 0.846 -3.033 1.00 0.00 N ATOM 938 CA SER A 62 13.060 1.996 -2.208 1.00 0.00 C ATOM 939 C SER A 62 12.960 1.593 -0.733 1.00 0.00 C ATOM 940 O SER A 62 11.917 1.761 -0.104 1.00 0.00 O ATOM 941 CB SER A 62 11.783 2.622 -2.752 1.00 0.00 C ATOM 942 OG SER A 62 12.057 3.052 -4.078 1.00 0.00 O ATOM 0 H SER A 62 12.836 0.020 -2.810 1.00 0.00 H new ATOM 0 HA SER A 62 13.849 2.747 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.967 1.900 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.472 3.463 -2.132 1.00 0.00 H new ATOM 0 HG SER A 62 12.954 3.444 -4.116 1.00 0.00 H new ATOM 948 N PRO A 63 14.075 1.108 -0.170 1.00 0.00 N ATOM 949 CA PRO A 63 14.207 0.742 1.224 1.00 0.00 C ATOM 950 C PRO A 63 14.088 1.989 2.070 1.00 0.00 C ATOM 951 O PRO A 63 13.564 1.953 3.170 1.00 0.00 O ATOM 952 CB PRO A 63 15.608 0.157 1.353 1.00 0.00 C ATOM 953 CG PRO A 63 16.419 0.808 0.237 1.00 0.00 C ATOM 954 CD PRO A 63 15.356 0.996 -0.844 1.00 0.00 C ATOM 0 HA PRO A 63 13.443 0.035 1.549 1.00 0.00 H new ATOM 0 HB2 PRO A 63 16.037 0.376 2.331 1.00 0.00 H new ATOM 0 HB3 PRO A 63 15.593 -0.928 1.247 1.00 0.00 H new ATOM 0 HG2 PRO A 63 16.859 1.755 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 63 17.238 0.172 -0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 63 15.560 1.890 -1.433 1.00 0.00 H new ATOM 0 HD3 PRO A 63 15.355 0.152 -1.534 1.00 0.00 H new ATOM 962 N ASN A 64 14.624 3.077 1.530 1.00 0.00 N ATOM 963 CA ASN A 64 14.647 4.424 2.098 1.00 0.00 C ATOM 964 C ASN A 64 13.380 4.699 2.914 1.00 0.00 C ATOM 965 O ASN A 64 13.416 4.768 4.141 1.00 0.00 O ATOM 966 CB ASN A 64 14.767 5.464 0.971 1.00 0.00 C ATOM 967 CG ASN A 64 16.063 5.382 0.173 1.00 0.00 C ATOM 968 OD1 ASN A 64 16.883 4.490 0.369 1.00 0.00 O ATOM 969 ND2 ASN A 64 16.236 6.300 -0.770 1.00 0.00 N ATOM 0 H ASN A 64 15.086 3.041 0.621 1.00 0.00 H new ATOM 0 HA ASN A 64 15.509 4.498 2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 64 13.926 5.341 0.289 1.00 0.00 H new ATOM 0 HB3 ASN A 64 14.683 6.461 1.403 1.00 0.00 H new ATOM 0 HD21 ASN A 64 17.070 6.277 -1.357 1.00 0.00 H new ATOM 0 HD22 ASN A 64 15.535 7.028 -0.907 1.00 0.00 H new ATOM 976 N VAL A 65 12.249 4.810 2.217 1.00 0.00 N ATOM 977 CA VAL A 65 10.946 5.095 2.793 1.00 0.00 C ATOM 978 C VAL A 65 10.615 4.068 3.873 1.00 0.00 C ATOM 979 O VAL A 65 10.256 4.412 4.999 1.00 0.00 O ATOM 980 CB VAL A 65 9.911 5.085 1.656 1.00 0.00 C ATOM 981 CG1 VAL A 65 8.489 5.263 2.191 1.00 0.00 C ATOM 982 CG2 VAL A 65 10.216 6.210 0.657 1.00 0.00 C ATOM 0 H VAL A 65 12.220 4.699 1.203 1.00 0.00 H new ATOM 0 HA VAL A 65 10.938 6.074 3.272 1.00 0.00 H new ATOM 0 HB VAL A 65 9.976 4.117 1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.784 5.251 1.360 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.254 4.450 2.878 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.415 6.215 2.717 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.478 6.195 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 65 10.176 7.172 1.169 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.211 6.063 0.237 1.00 0.00 H new ATOM 992 N ALA A 66 10.741 2.794 3.509 1.00 0.00 N ATOM 993 CA ALA A 66 10.477 1.682 4.409 1.00 0.00 C ATOM 994 C ALA A 66 11.296 1.810 5.702 1.00 0.00 C ATOM 995 O ALA A 66 10.801 1.496 6.779 1.00 0.00 O ATOM 996 CB ALA A 66 10.770 0.366 3.681 1.00 0.00 C ATOM 0 H ALA A 66 11.031 2.506 2.575 1.00 0.00 H new ATOM 0 HA ALA A 66 9.427 1.695 4.701 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.574 -0.472 4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.130 0.286 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.815 0.346 3.371 1.00 0.00 H new ATOM 1002 N SER A 67 12.534 2.296 5.610 1.00 0.00 N ATOM 1003 CA SER A 67 13.436 2.473 6.737 1.00 0.00 C ATOM 1004 C SER A 67 13.003 3.679 7.564 1.00 0.00 C ATOM 1005 O SER A 67 12.951 3.600 8.788 1.00 0.00 O ATOM 1006 CB SER A 67 14.874 2.632 6.233 1.00 0.00 C ATOM 1007 OG SER A 67 15.207 1.558 5.375 1.00 0.00 O ATOM 0 H SER A 67 12.944 2.584 4.722 1.00 0.00 H new ATOM 0 HA SER A 67 13.397 1.592 7.377 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.980 3.578 5.703 1.00 0.00 H new ATOM 0 HB3 SER A 67 15.563 2.661 7.077 1.00 0.00 H new ATOM 0 HG SER A 67 14.715 1.648 4.532 1.00 0.00 H new ATOM 1013 N GLU A 68 12.684 4.788 6.891 1.00 0.00 N ATOM 1014 CA GLU A 68 12.197 6.005 7.532 1.00 0.00 C ATOM 1015 C GLU A 68 10.969 5.680 8.387 1.00 0.00 C ATOM 1016 O GLU A 68 10.854 6.157 9.513 1.00 0.00 O ATOM 1017 CB GLU A 68 11.843 7.051 6.467 1.00 0.00 C ATOM 1018 CG GLU A 68 13.087 7.603 5.758 1.00 0.00 C ATOM 1019 CD GLU A 68 12.710 8.305 4.456 1.00 0.00 C ATOM 1020 OE1 GLU A 68 11.913 9.264 4.541 1.00 0.00 O ATOM 1021 OE2 GLU A 68 13.213 7.864 3.400 1.00 0.00 O ATOM 0 H GLU A 68 12.758 4.863 5.877 1.00 0.00 H new ATOM 0 HA GLU A 68 12.978 6.412 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.175 6.605 5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.299 7.872 6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.604 8.302 6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.781 6.789 5.548 1.00 0.00 H new ATOM 1028 N TYR A 69 10.060 4.862 7.850 1.00 0.00 N ATOM 1029 CA TYR A 69 8.860 4.457 8.569 1.00 0.00 C ATOM 1030 C TYR A 69 9.175 3.344 9.581 1.00 0.00 C ATOM 1031 O TYR A 69 8.528 3.276 10.623 1.00 0.00 O ATOM 1032 CB TYR A 69 7.790 4.017 7.564 1.00 0.00 C ATOM 1033 CG TYR A 69 6.901 5.154 7.085 1.00 0.00 C ATOM 1034 CD1 TYR A 69 5.909 5.675 7.939 1.00 0.00 C ATOM 1035 CD2 TYR A 69 7.107 5.743 5.823 1.00 0.00 C ATOM 1036 CE1 TYR A 69 5.101 6.746 7.518 1.00 0.00 C ATOM 1037 CE2 TYR A 69 6.310 6.826 5.410 1.00 0.00 C ATOM 1038 CZ TYR A 69 5.291 7.310 6.247 1.00 0.00 C ATOM 1039 OH TYR A 69 4.493 8.338 5.841 1.00 0.00 O ATOM 0 H TYR A 69 10.138 4.467 6.913 1.00 0.00 H new ATOM 0 HA TYR A 69 8.477 5.305 9.137 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.278 3.561 6.703 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.168 3.248 8.022 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.768 5.250 8.922 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.879 5.362 5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.335 7.134 8.172 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.482 7.286 4.448 1.00 0.00 H new ATOM 0 HH TYR A 69 4.209 8.860 6.621 1.00 0.00 H new ATOM 1049 N GLY A 70 10.135 2.464 9.287 1.00 0.00 N ATOM 1050 CA GLY A 70 10.562 1.403 10.192 1.00 0.00 C ATOM 1051 C GLY A 70 9.799 0.105 9.939 1.00 0.00 C ATOM 1052 O GLY A 70 9.256 -0.504 10.862 1.00 0.00 O ATOM 0 H GLY A 70 10.642 2.471 8.402 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.631 1.227 10.068 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.408 1.720 11.223 1.00 0.00 H new ATOM 1056 N ILE A 71 9.768 -0.324 8.676 1.00 0.00 N ATOM 1057 CA ILE A 71 9.103 -1.543 8.246 1.00 0.00 C ATOM 1058 C ILE A 71 10.053 -2.723 8.465 1.00 0.00 C ATOM 1059 O ILE A 71 11.085 -2.845 7.808 1.00 0.00 O ATOM 1060 CB ILE A 71 8.650 -1.389 6.789 1.00 0.00 C ATOM 1061 CG1 ILE A 71 7.626 -0.239 6.739 1.00 0.00 C ATOM 1062 CG2 ILE A 71 8.045 -2.703 6.277 1.00 0.00 C ATOM 1063 CD1 ILE A 71 7.014 -0.050 5.355 1.00 0.00 C ATOM 0 H ILE A 71 10.216 0.181 7.912 1.00 0.00 H new ATOM 0 HA ILE A 71 8.205 -1.736 8.833 1.00 0.00 H new ATOM 0 HB ILE A 71 9.496 -1.156 6.142 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.831 -0.435 7.459 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.112 0.687 7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 71 7.728 -2.578 5.242 1.00 0.00 H new ATOM 0 HG22 ILE A 71 8.792 -3.495 6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 71 7.185 -2.971 6.890 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.301 0.774 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.802 0.176 4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.501 -0.964 5.056 1.00 0.00 H new ATOM 1075 N ARG A 72 9.673 -3.609 9.385 1.00 0.00 N ATOM 1076 CA ARG A 72 10.463 -4.746 9.824 1.00 0.00 C ATOM 1077 C ARG A 72 10.407 -5.937 8.863 1.00 0.00 C ATOM 1078 O ARG A 72 11.331 -6.748 8.837 1.00 0.00 O ATOM 1079 CB ARG A 72 9.999 -5.149 11.236 1.00 0.00 C ATOM 1080 CG ARG A 72 8.651 -5.890 11.361 1.00 0.00 C ATOM 1081 CD ARG A 72 7.404 -5.178 10.813 1.00 0.00 C ATOM 1082 NE ARG A 72 7.299 -3.789 11.280 1.00 0.00 N ATOM 1083 CZ ARG A 72 6.536 -2.851 10.699 1.00 0.00 C ATOM 1084 NH1 ARG A 72 5.649 -3.181 9.754 1.00 0.00 N ATOM 1085 NH2 ARG A 72 6.695 -1.569 11.041 1.00 0.00 N ATOM 0 H ARG A 72 8.772 -3.547 9.859 1.00 0.00 H new ATOM 0 HA ARG A 72 11.509 -4.441 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.771 -5.780 11.676 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.943 -4.245 11.842 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.744 -6.849 10.851 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.481 -6.106 12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.432 -5.191 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.513 -5.728 11.116 1.00 0.00 H new ATOM 0 HE ARG A 72 7.842 -3.520 12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.547 -4.155 9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.074 -2.459 9.319 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.392 -1.310 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.119 -0.849 10.604 1.00 0.00 H new ATOM 1099 N SER A 73 9.326 -6.082 8.095 1.00 0.00 N ATOM 1100 CA SER A 73 9.118 -7.183 7.167 1.00 0.00 C ATOM 1101 C SER A 73 8.045 -6.751 6.173 1.00 0.00 C ATOM 1102 O SER A 73 7.370 -5.749 6.409 1.00 0.00 O ATOM 1103 CB SER A 73 8.660 -8.442 7.923 1.00 0.00 C ATOM 1104 OG SER A 73 9.574 -8.816 8.936 1.00 0.00 O ATOM 0 H SER A 73 8.553 -5.416 8.105 1.00 0.00 H new ATOM 0 HA SER A 73 10.047 -7.423 6.650 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.681 -8.262 8.367 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.544 -9.265 7.218 1.00 0.00 H new ATOM 0 HG SER A 73 9.246 -9.618 9.393 1.00 0.00 H new ATOM 1110 N ILE A 74 7.882 -7.497 5.079 1.00 0.00 N ATOM 1111 CA ILE A 74 6.872 -7.230 4.066 1.00 0.00 C ATOM 1112 C ILE A 74 6.102 -8.532 3.802 1.00 0.00 C ATOM 1113 O ILE A 74 6.675 -9.602 4.005 1.00 0.00 O ATOM 1114 CB ILE A 74 7.526 -6.642 2.802 1.00 0.00 C ATOM 1115 CG1 ILE A 74 8.716 -7.459 2.284 1.00 0.00 C ATOM 1116 CG2 ILE A 74 7.946 -5.193 3.093 1.00 0.00 C ATOM 1117 CD1 ILE A 74 9.052 -7.011 0.858 1.00 0.00 C ATOM 0 H ILE A 74 8.458 -8.313 4.873 1.00 0.00 H new ATOM 0 HA ILE A 74 6.159 -6.480 4.409 1.00 0.00 H new ATOM 0 HB ILE A 74 6.785 -6.676 2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.579 -7.319 2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 74 8.476 -8.522 2.297 1.00 0.00 H new ATOM 0 HG21 ILE A 74 8.411 -4.764 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.067 -4.607 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.658 -5.179 3.918 1.00 0.00 H new ATOM 0 HD11 ILE A 74 9.898 -7.589 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.189 -7.173 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 74 9.309 -5.952 0.860 1.00 0.00 H new ATOM 1129 N PRO A 75 4.824 -8.483 3.384 1.00 0.00 N ATOM 1130 CA PRO A 75 4.053 -7.283 3.108 1.00 0.00 C ATOM 1131 C PRO A 75 3.711 -6.482 4.365 1.00 0.00 C ATOM 1132 O PRO A 75 3.548 -7.017 5.463 1.00 0.00 O ATOM 1133 CB PRO A 75 2.775 -7.748 2.409 1.00 0.00 C ATOM 1134 CG PRO A 75 2.588 -9.170 2.935 1.00 0.00 C ATOM 1135 CD PRO A 75 4.022 -9.665 3.120 1.00 0.00 C ATOM 0 HA PRO A 75 4.643 -6.607 2.489 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.926 -7.112 2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 75 2.880 -7.730 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 75 2.033 -9.183 3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.035 -9.791 2.230 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.087 -10.373 3.947 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.374 -10.184 2.228 1.00 0.00 H new ATOM 1143 N THR A 76 3.667 -5.171 4.154 1.00 0.00 N ATOM 1144 CA THR A 76 3.265 -4.159 5.104 1.00 0.00 C ATOM 1145 C THR A 76 2.447 -3.201 4.245 1.00 0.00 C ATOM 1146 O THR A 76 2.971 -2.624 3.291 1.00 0.00 O ATOM 1147 CB THR A 76 4.476 -3.517 5.799 1.00 0.00 C ATOM 1148 OG1 THR A 76 5.024 -4.417 6.745 1.00 0.00 O ATOM 1149 CG2 THR A 76 4.061 -2.266 6.573 1.00 0.00 C ATOM 0 H THR A 76 3.930 -4.769 3.254 1.00 0.00 H new ATOM 0 HA THR A 76 2.685 -4.538 5.946 1.00 0.00 H new ATOM 0 HB THR A 76 5.199 -3.265 5.023 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.886 -4.750 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.936 -1.830 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.627 -1.540 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.324 -2.534 7.330 1.00 0.00 H new ATOM 1157 N ILE A 77 1.151 -3.113 4.530 1.00 0.00 N ATOM 1158 CA ILE A 77 0.190 -2.339 3.770 1.00 0.00 C ATOM 1159 C ILE A 77 -0.125 -1.083 4.570 1.00 0.00 C ATOM 1160 O ILE A 77 -0.863 -1.154 5.551 1.00 0.00 O ATOM 1161 CB ILE A 77 -1.057 -3.202 3.505 1.00 0.00 C ATOM 1162 CG1 ILE A 77 -0.668 -4.463 2.707 1.00 0.00 C ATOM 1163 CG2 ILE A 77 -2.096 -2.380 2.734 1.00 0.00 C ATOM 1164 CD1 ILE A 77 -1.839 -5.428 2.507 1.00 0.00 C ATOM 0 H ILE A 77 0.733 -3.597 5.324 1.00 0.00 H new ATOM 0 HA ILE A 77 0.582 -2.041 2.798 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.488 -3.515 4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.280 -4.165 1.733 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.138 -4.981 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.978 -2.992 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.378 -1.507 3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.671 -2.056 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.503 -6.295 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.213 -5.753 3.478 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.637 -4.924 1.961 1.00 0.00 H new ATOM 1176 N MET A 78 0.450 0.056 4.180 1.00 0.00 N ATOM 1177 CA MET A 78 0.211 1.323 4.849 1.00 0.00 C ATOM 1178 C MET A 78 -1.010 1.997 4.237 1.00 0.00 C ATOM 1179 O MET A 78 -1.120 2.095 3.013 1.00 0.00 O ATOM 1180 CB MET A 78 1.428 2.240 4.726 1.00 0.00 C ATOM 1181 CG MET A 78 2.626 1.676 5.484 1.00 0.00 C ATOM 1182 SD MET A 78 3.946 2.859 5.849 1.00 0.00 S ATOM 1183 CE MET A 78 4.419 2.252 7.485 1.00 0.00 C ATOM 0 H MET A 78 1.093 0.119 3.391 1.00 0.00 H new ATOM 0 HA MET A 78 0.033 1.132 5.907 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.687 2.366 3.675 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.182 3.228 5.114 1.00 0.00 H new ATOM 0 HG2 MET A 78 2.272 1.252 6.424 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.048 0.856 4.903 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.571 3.097 8.157 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.629 1.613 7.879 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.343 1.680 7.407 1.00 0.00 H new ATOM 1193 N VAL A 79 -1.915 2.459 5.098 1.00 0.00 N ATOM 1194 CA VAL A 79 -3.095 3.211 4.701 1.00 0.00 C ATOM 1195 C VAL A 79 -2.808 4.678 4.973 1.00 0.00 C ATOM 1196 O VAL A 79 -2.192 5.000 5.988 1.00 0.00 O ATOM 1197 CB VAL A 79 -4.343 2.781 5.487 1.00 0.00 C ATOM 1198 CG1 VAL A 79 -5.495 3.764 5.202 1.00 0.00 C ATOM 1199 CG2 VAL A 79 -4.751 1.356 5.096 1.00 0.00 C ATOM 0 H VAL A 79 -1.844 2.317 6.106 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.301 3.026 3.647 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.117 2.794 6.553 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.380 3.459 5.760 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.201 4.768 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.720 3.762 4.135 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.637 1.063 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.972 1.321 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.935 0.669 5.320 1.00 0.00 H new ATOM 1209 N PHE A 80 -3.296 5.556 4.099 1.00 0.00 N ATOM 1210 CA PHE A 80 -3.149 6.991 4.226 1.00 0.00 C ATOM 1211 C PHE A 80 -4.481 7.669 3.952 1.00 0.00 C ATOM 1212 O PHE A 80 -5.336 7.112 3.263 1.00 0.00 O ATOM 1213 CB PHE A 80 -2.120 7.515 3.224 1.00 0.00 C ATOM 1214 CG PHE A 80 -0.751 6.860 3.251 1.00 0.00 C ATOM 1215 CD1 PHE A 80 -0.594 5.553 2.764 1.00 0.00 C ATOM 1216 CD2 PHE A 80 0.374 7.560 3.724 1.00 0.00 C ATOM 1217 CE1 PHE A 80 0.653 4.917 2.843 1.00 0.00 C ATOM 1218 CE2 PHE A 80 1.613 6.907 3.851 1.00 0.00 C ATOM 1219 CZ PHE A 80 1.750 5.576 3.423 1.00 0.00 C ATOM 0 H PHE A 80 -3.815 5.276 3.267 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.814 7.213 5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -2.532 7.402 2.221 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.990 8.583 3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.436 5.036 2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.286 8.603 3.991 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.771 3.916 2.456 1.00 0.00 H new ATOM 0 HE2 PHE A 80 2.458 7.428 4.277 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.693 5.062 3.539 1.00 0.00 H new ATOM 1229 N LYS A 81 -4.594 8.899 4.452 1.00 0.00 N ATOM 1230 CA LYS A 81 -5.712 9.814 4.307 1.00 0.00 C ATOM 1231 C LYS A 81 -5.083 11.198 4.320 1.00 0.00 C ATOM 1232 O LYS A 81 -4.077 11.382 5.000 1.00 0.00 O ATOM 1233 CB LYS A 81 -6.736 9.647 5.449 1.00 0.00 C ATOM 1234 CG LYS A 81 -6.484 10.507 6.705 1.00 0.00 C ATOM 1235 CD LYS A 81 -5.216 10.105 7.471 1.00 0.00 C ATOM 1236 CE LYS A 81 -4.534 11.286 8.162 1.00 0.00 C ATOM 1237 NZ LYS A 81 -3.600 10.829 9.206 1.00 0.00 N ATOM 0 H LYS A 81 -3.845 9.308 5.011 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.273 9.628 3.391 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.727 9.884 5.061 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.753 8.599 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.406 11.554 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.343 10.426 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.473 9.353 8.218 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.513 9.641 6.780 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.995 11.880 7.424 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -5.289 11.936 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.007 11.626 9.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.138 10.463 10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -2.994 10.075 8.824 1.00 0.00 H new ATOM 1251 N GLY A 82 -5.620 12.177 3.593 1.00 0.00 N ATOM 1252 CA GLY A 82 -5.045 13.512 3.668 1.00 0.00 C ATOM 1253 C GLY A 82 -3.534 13.496 3.406 1.00 0.00 C ATOM 1254 O GLY A 82 -2.769 14.150 4.115 1.00 0.00 O ATOM 0 H GLY A 82 -6.421 12.076 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.533 14.160 2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.239 13.937 4.653 1.00 0.00 H new ATOM 1258 N GLY A 83 -3.093 12.682 2.443 1.00 0.00 N ATOM 1259 CA GLY A 83 -1.686 12.519 2.116 1.00 0.00 C ATOM 1260 C GLY A 83 -0.920 11.653 3.123 1.00 0.00 C ATOM 1261 O GLY A 83 -0.254 10.693 2.742 1.00 0.00 O ATOM 0 H GLY A 83 -3.714 12.115 1.866 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.601 12.072 1.126 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.217 13.502 2.063 1.00 0.00 H new ATOM 1265 N LYS A 84 -1.006 11.979 4.414 1.00 0.00 N ATOM 1266 CA LYS A 84 -0.258 11.298 5.469 1.00 0.00 C ATOM 1267 C LYS A 84 -0.882 9.964 5.894 1.00 0.00 C ATOM 1268 O LYS A 84 -2.031 9.645 5.592 1.00 0.00 O ATOM 1269 CB LYS A 84 -0.105 12.223 6.679 1.00 0.00 C ATOM 1270 CG LYS A 84 0.651 13.501 6.293 1.00 0.00 C ATOM 1271 CD LYS A 84 1.218 14.211 7.531 1.00 0.00 C ATOM 1272 CE LYS A 84 0.137 14.632 8.536 1.00 0.00 C ATOM 1273 NZ LYS A 84 -0.888 15.492 7.918 1.00 0.00 N ATOM 0 H LYS A 84 -1.603 12.731 4.758 1.00 0.00 H new ATOM 0 HA LYS A 84 0.722 11.059 5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.088 12.481 7.072 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.430 11.704 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.463 13.253 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.019 14.175 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.928 13.550 8.027 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.773 15.094 7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.338 13.743 8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.602 15.162 9.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.541 15.836 8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.429 16.302 7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.419 14.945 7.210 1.00 0.00 H new ATOM 1287 N LYS A 85 -0.074 9.159 6.589 1.00 0.00 N ATOM 1288 CA LYS A 85 -0.439 7.816 7.015 1.00 0.00 C ATOM 1289 C LYS A 85 -1.545 7.861 8.069 1.00 0.00 C ATOM 1290 O LYS A 85 -1.612 8.799 8.862 1.00 0.00 O ATOM 1291 CB LYS A 85 0.810 7.098 7.544 1.00 0.00 C ATOM 1292 CG LYS A 85 0.593 5.577 7.587 1.00 0.00 C ATOM 1293 CD LYS A 85 1.826 4.815 8.082 1.00 0.00 C ATOM 1294 CE LYS A 85 1.842 4.591 9.601 1.00 0.00 C ATOM 1295 NZ LYS A 85 1.888 5.849 10.363 1.00 0.00 N ATOM 0 H LYS A 85 0.867 9.432 6.874 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.831 7.260 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.664 7.329 6.907 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.049 7.463 8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.252 5.353 8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 85 0.329 5.224 6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.871 3.848 7.580 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.722 5.365 7.795 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.954 4.029 9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.706 3.980 9.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.184 5.652 11.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.568 6.499 9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.944 6.286 10.368 1.00 0.00 H new ATOM 1309 N CYS A 86 -2.402 6.837 8.069 1.00 0.00 N ATOM 1310 CA CYS A 86 -3.511 6.667 8.996 1.00 0.00 C ATOM 1311 C CYS A 86 -3.260 5.426 9.856 1.00 0.00 C ATOM 1312 O CYS A 86 -3.112 5.545 11.069 1.00 0.00 O ATOM 1313 CB CYS A 86 -4.821 6.560 8.209 1.00 0.00 C ATOM 1314 SG CYS A 86 -6.202 6.914 9.323 1.00 0.00 S ATOM 0 H CYS A 86 -2.335 6.076 7.394 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.591 7.528 9.660 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.819 7.263 7.376 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -4.925 5.562 7.784 1.00 0.00 H new ATOM 0 HG CYS A 86 -7.321 6.829 8.667 1.00 0.00 H new ATOM 1320 N GLU A 87 -3.206 4.240 9.234 1.00 0.00 N ATOM 1321 CA GLU A 87 -2.924 2.954 9.873 1.00 0.00 C ATOM 1322 C GLU A 87 -1.982 2.131 8.988 1.00 0.00 C ATOM 1323 O GLU A 87 -1.549 2.588 7.928 1.00 0.00 O ATOM 1324 CB GLU A 87 -4.217 2.154 10.108 1.00 0.00 C ATOM 1325 CG GLU A 87 -5.290 2.946 10.866 1.00 0.00 C ATOM 1326 CD GLU A 87 -6.335 3.608 9.978 1.00 0.00 C ATOM 1327 OE1 GLU A 87 -6.164 3.588 8.740 1.00 0.00 O ATOM 1328 OE2 GLU A 87 -7.288 4.156 10.572 1.00 0.00 O ATOM 0 H GLU A 87 -3.365 4.151 8.230 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.456 3.154 10.837 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.620 1.837 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.980 1.249 10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.795 2.275 11.561 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.801 3.715 11.464 1.00 0.00 H new ATOM 1335 N THR A 88 -1.660 0.903 9.406 1.00 0.00 N ATOM 1336 CA THR A 88 -0.795 -0.005 8.669 1.00 0.00 C ATOM 1337 C THR A 88 -1.117 -1.446 9.062 1.00 0.00 C ATOM 1338 O THR A 88 -1.217 -1.732 10.253 1.00 0.00 O ATOM 1339 CB THR A 88 0.672 0.320 8.989 1.00 0.00 C ATOM 1340 OG1 THR A 88 0.982 1.638 8.585 1.00 0.00 O ATOM 1341 CG2 THR A 88 1.630 -0.643 8.285 1.00 0.00 C ATOM 0 H THR A 88 -2.003 0.511 10.283 1.00 0.00 H new ATOM 0 HA THR A 88 -0.960 0.113 7.598 1.00 0.00 H new ATOM 0 HB THR A 88 0.796 0.216 10.067 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.771 1.953 9.074 1.00 0.00 H new ATOM 0 HG21 THR A 88 2.658 -0.381 8.535 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.425 -1.663 8.611 1.00 0.00 H new ATOM 0 HG23 THR A 88 1.490 -0.572 7.206 1.00 0.00 H new ATOM 1349 N ILE A 89 -1.288 -2.332 8.079 1.00 0.00 N ATOM 1350 CA ILE A 89 -1.494 -3.761 8.281 1.00 0.00 C ATOM 1351 C ILE A 89 -0.172 -4.443 7.927 1.00 0.00 C ATOM 1352 O ILE A 89 0.606 -3.898 7.145 1.00 0.00 O ATOM 1353 CB ILE A 89 -2.661 -4.260 7.413 1.00 0.00 C ATOM 1354 CG1 ILE A 89 -3.932 -3.419 7.621 1.00 0.00 C ATOM 1355 CG2 ILE A 89 -2.970 -5.737 7.698 1.00 0.00 C ATOM 1356 CD1 ILE A 89 -4.413 -3.318 9.072 1.00 0.00 C ATOM 0 H ILE A 89 -1.286 -2.064 7.095 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.766 -3.992 9.311 1.00 0.00 H new ATOM 0 HB ILE A 89 -2.346 -4.154 6.375 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -3.749 -2.413 7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.734 -3.845 7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -3.799 -6.063 7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.090 -6.342 7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -3.240 -5.856 8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.314 -2.706 9.115 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.634 -4.315 9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.634 -2.861 9.683 1.00 0.00 H new ATOM 1368 N ILE A 90 0.098 -5.611 8.513 1.00 0.00 N ATOM 1369 CA ILE A 90 1.349 -6.344 8.342 1.00 0.00 C ATOM 1370 C ILE A 90 1.021 -7.812 8.076 1.00 0.00 C ATOM 1371 O ILE A 90 0.095 -8.348 8.684 1.00 0.00 O ATOM 1372 CB ILE A 90 2.220 -6.192 9.611 1.00 0.00 C ATOM 1373 CG1 ILE A 90 2.460 -4.707 9.957 1.00 0.00 C ATOM 1374 CG2 ILE A 90 3.573 -6.897 9.407 1.00 0.00 C ATOM 1375 CD1 ILE A 90 3.128 -4.506 11.322 1.00 0.00 C ATOM 0 H ILE A 90 -0.562 -6.082 9.132 1.00 0.00 H new ATOM 0 HA ILE A 90 1.911 -5.945 7.498 1.00 0.00 H new ATOM 0 HB ILE A 90 1.684 -6.654 10.440 1.00 0.00 H new ATOM 0 HG12 ILE A 90 3.084 -4.257 9.185 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.507 -4.179 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 90 4.181 -6.785 10.305 1.00 0.00 H new ATOM 0 HG22 ILE A 90 3.406 -7.956 9.212 1.00 0.00 H new ATOM 0 HG23 ILE A 90 4.092 -6.449 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.269 -3.441 11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 90 2.495 -4.928 12.103 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.096 -5.007 11.330 1.00 0.00 H new ATOM 1387 N GLY A 91 1.786 -8.456 7.190 1.00 0.00 N ATOM 1388 CA GLY A 91 1.637 -9.870 6.884 1.00 0.00 C ATOM 1389 C GLY A 91 0.510 -10.138 5.889 1.00 0.00 C ATOM 1390 O GLY A 91 -0.395 -9.324 5.707 1.00 0.00 O ATOM 0 H GLY A 91 2.531 -8.001 6.663 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.574 -10.251 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.442 -10.419 7.805 1.00 0.00 H new ATOM 1394 N ALA A 92 0.580 -11.290 5.216 1.00 0.00 N ATOM 1395 CA ALA A 92 -0.410 -11.683 4.224 1.00 0.00 C ATOM 1396 C ALA A 92 -1.712 -12.136 4.892 1.00 0.00 C ATOM 1397 O ALA A 92 -2.057 -13.315 4.858 1.00 0.00 O ATOM 1398 CB ALA A 92 0.173 -12.787 3.336 1.00 0.00 C ATOM 0 H ALA A 92 1.327 -11.972 5.348 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.653 -10.821 3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.566 -13.084 2.592 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.066 -12.416 2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.435 -13.648 3.951 1.00 0.00 H new ATOM 1404 N VAL A 93 -2.449 -11.195 5.485 1.00 0.00 N ATOM 1405 CA VAL A 93 -3.768 -11.483 6.039 1.00 0.00 C ATOM 1406 C VAL A 93 -4.743 -11.523 4.851 1.00 0.00 C ATOM 1407 O VAL A 93 -4.458 -10.907 3.821 1.00 0.00 O ATOM 1408 CB VAL A 93 -4.177 -10.431 7.084 1.00 0.00 C ATOM 1409 CG1 VAL A 93 -3.418 -10.655 8.398 1.00 0.00 C ATOM 1410 CG2 VAL A 93 -3.940 -8.993 6.616 1.00 0.00 C ATOM 0 H VAL A 93 -2.152 -10.225 5.593 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.772 -12.437 6.567 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.249 -10.559 7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.720 -9.902 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.648 -11.647 8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.346 -10.576 8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.249 -8.300 7.399 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.881 -8.850 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.521 -8.804 5.714 1.00 0.00 H new ATOM 1420 N PRO A 94 -5.865 -12.259 4.934 1.00 0.00 N ATOM 1421 CA PRO A 94 -6.792 -12.362 3.821 1.00 0.00 C ATOM 1422 C PRO A 94 -7.255 -10.995 3.328 1.00 0.00 C ATOM 1423 O PRO A 94 -7.432 -10.050 4.098 1.00 0.00 O ATOM 1424 CB PRO A 94 -7.976 -13.193 4.311 1.00 0.00 C ATOM 1425 CG PRO A 94 -7.396 -13.993 5.478 1.00 0.00 C ATOM 1426 CD PRO A 94 -6.313 -13.077 6.050 1.00 0.00 C ATOM 0 HA PRO A 94 -6.301 -12.833 2.970 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.804 -12.561 4.631 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.358 -13.847 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -8.158 -14.223 6.222 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -6.980 -14.943 5.143 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.708 -12.458 6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.489 -13.656 6.467 1.00 0.00 H new ATOM 1434 N LYS A 95 -7.501 -10.911 2.024 1.00 0.00 N ATOM 1435 CA LYS A 95 -7.928 -9.667 1.419 1.00 0.00 C ATOM 1436 C LYS A 95 -9.260 -9.247 2.016 1.00 0.00 C ATOM 1437 O LYS A 95 -9.480 -8.072 2.269 1.00 0.00 O ATOM 1438 CB LYS A 95 -8.013 -9.812 -0.096 1.00 0.00 C ATOM 1439 CG LYS A 95 -7.845 -8.431 -0.744 1.00 0.00 C ATOM 1440 CD LYS A 95 -6.367 -8.005 -0.785 1.00 0.00 C ATOM 1441 CE LYS A 95 -6.213 -6.565 -1.278 1.00 0.00 C ATOM 1442 NZ LYS A 95 -4.844 -6.073 -1.053 1.00 0.00 N ATOM 0 H LYS A 95 -7.410 -11.691 1.373 1.00 0.00 H new ATOM 0 HA LYS A 95 -7.195 -8.888 1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -7.239 -10.491 -0.453 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.972 -10.246 -0.379 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -8.247 -8.452 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.422 -7.693 -0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -5.932 -8.099 0.210 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -5.812 -8.676 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.452 -6.513 -2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.924 -5.922 -0.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.678 -5.229 -1.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.724 -5.829 -0.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -4.162 -6.814 -1.313 1.00 0.00 H new ATOM 1456 N ALA A 96 -10.139 -10.219 2.250 1.00 0.00 N ATOM 1457 CA ALA A 96 -11.403 -9.982 2.937 1.00 0.00 C ATOM 1458 C ALA A 96 -11.158 -9.171 4.221 1.00 0.00 C ATOM 1459 O ALA A 96 -11.824 -8.162 4.459 1.00 0.00 O ATOM 1460 CB ALA A 96 -12.069 -11.323 3.257 1.00 0.00 C ATOM 0 H ALA A 96 -9.994 -11.189 1.969 1.00 0.00 H new ATOM 0 HA ALA A 96 -12.068 -9.407 2.293 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -13.014 -11.146 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -12.255 -11.867 2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.412 -11.912 3.898 1.00 0.00 H new ATOM 1466 N THR A 97 -10.186 -9.596 5.036 1.00 0.00 N ATOM 1467 CA THR A 97 -9.810 -8.920 6.266 1.00 0.00 C ATOM 1468 C THR A 97 -9.365 -7.492 5.940 1.00 0.00 C ATOM 1469 O THR A 97 -9.864 -6.536 6.537 1.00 0.00 O ATOM 1470 CB THR A 97 -8.693 -9.736 6.943 1.00 0.00 C ATOM 1471 OG1 THR A 97 -9.043 -11.106 6.894 1.00 0.00 O ATOM 1472 CG2 THR A 97 -8.464 -9.338 8.401 1.00 0.00 C ATOM 0 H THR A 97 -9.634 -10.433 4.849 1.00 0.00 H new ATOM 0 HA THR A 97 -10.652 -8.851 6.955 1.00 0.00 H new ATOM 0 HB THR A 97 -7.767 -9.536 6.403 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.660 -11.569 7.668 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.665 -9.948 8.823 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.183 -8.286 8.451 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.381 -9.496 8.970 1.00 0.00 H new ATOM 1480 N ILE A 98 -8.444 -7.353 4.979 1.00 0.00 N ATOM 1481 CA ILE A 98 -7.914 -6.057 4.566 1.00 0.00 C ATOM 1482 C ILE A 98 -9.065 -5.126 4.168 1.00 0.00 C ATOM 1483 O ILE A 98 -9.209 -4.068 4.765 1.00 0.00 O ATOM 1484 CB ILE A 98 -6.870 -6.234 3.442 1.00 0.00 C ATOM 1485 CG1 ILE A 98 -5.628 -6.931 4.027 1.00 0.00 C ATOM 1486 CG2 ILE A 98 -6.467 -4.871 2.850 1.00 0.00 C ATOM 1487 CD1 ILE A 98 -4.674 -7.504 2.972 1.00 0.00 C ATOM 0 H ILE A 98 -8.047 -8.141 4.467 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.395 -5.588 5.402 1.00 0.00 H new ATOM 0 HB ILE A 98 -7.303 -6.838 2.644 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.082 -6.218 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -5.953 -7.738 4.683 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.731 -5.021 2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.348 -4.379 2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.037 -4.247 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.826 -7.977 3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -5.201 -8.243 2.368 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -4.316 -6.699 2.330 1.00 0.00 H new ATOM 1499 N VAL A 99 -9.887 -5.506 3.189 1.00 0.00 N ATOM 1500 CA VAL A 99 -11.014 -4.723 2.695 1.00 0.00 C ATOM 1501 C VAL A 99 -11.886 -4.242 3.854 1.00 0.00 C ATOM 1502 O VAL A 99 -12.106 -3.041 3.995 1.00 0.00 O ATOM 1503 CB VAL A 99 -11.822 -5.566 1.692 1.00 0.00 C ATOM 1504 CG1 VAL A 99 -13.171 -4.919 1.352 1.00 0.00 C ATOM 1505 CG2 VAL A 99 -11.027 -5.729 0.392 1.00 0.00 C ATOM 0 H VAL A 99 -9.781 -6.397 2.704 1.00 0.00 H new ATOM 0 HA VAL A 99 -10.642 -3.836 2.182 1.00 0.00 H new ATOM 0 HB VAL A 99 -12.006 -6.533 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -13.707 -5.548 0.641 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -13.763 -4.813 2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.002 -3.936 0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -11.603 -6.326 -0.314 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -10.829 -4.748 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -10.082 -6.229 0.604 1.00 0.00 H new ATOM 1515 N GLN A 100 -12.374 -5.165 4.687 1.00 0.00 N ATOM 1516 CA GLN A 100 -13.220 -4.807 5.819 1.00 0.00 C ATOM 1517 C GLN A 100 -12.510 -3.778 6.703 1.00 0.00 C ATOM 1518 O GLN A 100 -13.088 -2.754 7.065 1.00 0.00 O ATOM 1519 CB GLN A 100 -13.577 -6.073 6.613 1.00 0.00 C ATOM 1520 CG GLN A 100 -14.982 -6.603 6.296 1.00 0.00 C ATOM 1521 CD GLN A 100 -15.304 -6.748 4.810 1.00 0.00 C ATOM 1522 OE1 GLN A 100 -16.346 -6.293 4.352 1.00 0.00 O ATOM 1523 NE2 GLN A 100 -14.442 -7.396 4.037 1.00 0.00 N ATOM 0 H GLN A 100 -12.195 -6.165 4.595 1.00 0.00 H new ATOM 0 HA GLN A 100 -14.144 -4.355 5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.844 -6.850 6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -13.508 -5.858 7.679 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.102 -7.575 6.774 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.715 -5.934 6.746 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.580 -7.768 4.435 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.642 -7.522 3.045 1.00 0.00 H new ATOM 1532 N THR A 101 -11.248 -4.042 7.039 1.00 0.00 N ATOM 1533 CA THR A 101 -10.458 -3.148 7.877 1.00 0.00 C ATOM 1534 C THR A 101 -10.290 -1.766 7.214 1.00 0.00 C ATOM 1535 O THR A 101 -10.396 -0.735 7.878 1.00 0.00 O ATOM 1536 CB THR A 101 -9.122 -3.833 8.195 1.00 0.00 C ATOM 1537 OG1 THR A 101 -9.372 -5.084 8.804 1.00 0.00 O ATOM 1538 CG2 THR A 101 -8.290 -3.008 9.169 1.00 0.00 C ATOM 0 H THR A 101 -10.748 -4.879 6.738 1.00 0.00 H new ATOM 0 HA THR A 101 -10.974 -2.955 8.818 1.00 0.00 H new ATOM 0 HB THR A 101 -8.577 -3.945 7.258 1.00 0.00 H new ATOM 0 HG1 THR A 101 -9.622 -5.738 8.118 1.00 0.00 H new ATOM 0 HG21 THR A 101 -7.351 -3.523 9.372 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.081 -2.031 8.733 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.842 -2.879 10.100 1.00 0.00 H new ATOM 1546 N VAL A 102 -10.047 -1.723 5.903 1.00 0.00 N ATOM 1547 CA VAL A 102 -9.902 -0.479 5.161 1.00 0.00 C ATOM 1548 C VAL A 102 -11.216 0.297 5.217 1.00 0.00 C ATOM 1549 O VAL A 102 -11.215 1.480 5.542 1.00 0.00 O ATOM 1550 CB VAL A 102 -9.459 -0.777 3.717 1.00 0.00 C ATOM 1551 CG1 VAL A 102 -9.569 0.456 2.812 1.00 0.00 C ATOM 1552 CG2 VAL A 102 -7.997 -1.241 3.697 1.00 0.00 C ATOM 0 H VAL A 102 -9.945 -2.558 5.327 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.128 0.142 5.612 1.00 0.00 H new ATOM 0 HB VAL A 102 -10.124 -1.555 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -9.246 0.197 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -10.604 0.796 2.785 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -8.935 1.252 3.203 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -7.695 -1.449 2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -7.361 -0.458 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -7.894 -2.146 4.296 1.00 0.00 H new ATOM 1562 N GLU A 103 -12.329 -0.371 4.918 1.00 0.00 N ATOM 1563 CA GLU A 103 -13.655 0.226 4.943 1.00 0.00 C ATOM 1564 C GLU A 103 -13.949 0.791 6.332 1.00 0.00 C ATOM 1565 O GLU A 103 -14.411 1.919 6.462 1.00 0.00 O ATOM 1566 CB GLU A 103 -14.683 -0.829 4.528 1.00 0.00 C ATOM 1567 CG GLU A 103 -14.566 -1.138 3.027 1.00 0.00 C ATOM 1568 CD GLU A 103 -15.417 -2.331 2.600 1.00 0.00 C ATOM 1569 OE1 GLU A 103 -15.660 -3.208 3.456 1.00 0.00 O ATOM 1570 OE2 GLU A 103 -15.788 -2.363 1.405 1.00 0.00 O ATOM 0 H GLU A 103 -12.331 -1.355 4.649 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.709 1.055 4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.530 -1.741 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.688 -0.474 4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.867 -0.260 2.456 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.523 -1.336 2.782 1.00 0.00 H new ATOM 1577 N LYS A 104 -13.664 0.004 7.371 1.00 0.00 N ATOM 1578 CA LYS A 104 -13.796 0.420 8.762 1.00 0.00 C ATOM 1579 C LYS A 104 -13.054 1.742 8.972 1.00 0.00 C ATOM 1580 O LYS A 104 -13.607 2.677 9.545 1.00 0.00 O ATOM 1581 CB LYS A 104 -13.236 -0.695 9.664 1.00 0.00 C ATOM 1582 CG LYS A 104 -12.861 -0.288 11.102 1.00 0.00 C ATOM 1583 CD LYS A 104 -11.775 -1.217 11.661 1.00 0.00 C ATOM 1584 CE LYS A 104 -12.251 -2.672 11.769 1.00 0.00 C ATOM 1585 NZ LYS A 104 -11.181 -3.550 12.272 1.00 0.00 N ATOM 0 H LYS A 104 -13.330 -0.954 7.265 1.00 0.00 H new ATOM 0 HA LYS A 104 -14.843 0.582 9.020 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -13.974 -1.495 9.717 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -12.350 -1.110 9.184 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -12.506 0.743 11.113 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -13.745 -0.328 11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -10.896 -1.172 11.019 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.469 -0.863 12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -13.112 -2.726 12.435 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -12.582 -3.022 10.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -11.534 -4.526 12.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -10.369 -3.515 11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -10.883 -3.229 13.215 1.00 0.00 H new ATOM 1599 N TYR A 105 -11.782 1.800 8.567 1.00 0.00 N ATOM 1600 CA TYR A 105 -10.980 2.998 8.763 1.00 0.00 C ATOM 1601 C TYR A 105 -11.502 4.185 7.942 1.00 0.00 C ATOM 1602 O TYR A 105 -11.561 5.303 8.448 1.00 0.00 O ATOM 1603 CB TYR A 105 -9.522 2.718 8.381 1.00 0.00 C ATOM 1604 CG TYR A 105 -8.801 1.574 9.071 1.00 0.00 C ATOM 1605 CD1 TYR A 105 -9.028 1.287 10.431 1.00 0.00 C ATOM 1606 CD2 TYR A 105 -7.708 0.980 8.411 1.00 0.00 C ATOM 1607 CE1 TYR A 105 -8.163 0.421 11.125 1.00 0.00 C ATOM 1608 CE2 TYR A 105 -6.822 0.149 9.115 1.00 0.00 C ATOM 1609 CZ TYR A 105 -7.048 -0.128 10.471 1.00 0.00 C ATOM 1610 OH TYR A 105 -6.173 -0.923 11.149 1.00 0.00 O ATOM 0 H TYR A 105 -11.293 1.033 8.105 1.00 0.00 H new ATOM 0 HA TYR A 105 -11.049 3.265 9.818 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.490 2.531 7.308 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -8.951 3.628 8.563 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.868 1.733 10.943 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -7.551 1.165 7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.356 0.179 12.160 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -5.966 -0.277 8.612 1.00 0.00 H new ATOM 0 HH TYR A 105 -6.647 -1.396 11.864 1.00 0.00 H new ATOM 1620 N LEU A 106 -11.823 3.947 6.668 1.00 0.00 N ATOM 1621 CA LEU A 106 -12.264 4.955 5.715 1.00 0.00 C ATOM 1622 C LEU A 106 -13.759 4.780 5.425 1.00 0.00 C ATOM 1623 O LEU A 106 -14.593 5.270 6.184 1.00 0.00 O ATOM 1624 CB LEU A 106 -11.396 4.847 4.447 1.00 0.00 C ATOM 1625 CG LEU A 106 -9.899 5.113 4.686 1.00 0.00 C ATOM 1626 CD1 LEU A 106 -9.133 4.738 3.413 1.00 0.00 C ATOM 1627 CD2 LEU A 106 -9.617 6.577 5.042 1.00 0.00 C ATOM 0 H LEU A 106 -11.780 3.012 6.262 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.140 5.958 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -11.514 3.850 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -11.766 5.555 3.705 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.574 4.509 5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -8.069 4.920 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.293 3.683 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.491 5.344 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.547 6.713 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.947 7.220 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -10.156 6.840 5.952 1.00 0.00 H new ATOM 1639 N ASN A 107 -14.098 4.131 4.310 1.00 0.00 N ATOM 1640 CA ASN A 107 -15.437 3.837 3.836 1.00 0.00 C ATOM 1641 C ASN A 107 -15.222 2.841 2.696 1.00 0.00 C ATOM 1642 O ASN A 107 -14.053 2.751 2.250 1.00 0.00 O ATOM 1643 CB ASN A 107 -16.134 5.115 3.338 1.00 0.00 C ATOM 1644 CG ASN A 107 -17.656 4.996 3.227 1.00 0.00 C ATOM 1645 OD1 ASN A 107 -18.377 5.910 3.617 1.00 0.00 O ATOM 1646 ND2 ASN A 107 -18.185 3.902 2.691 1.00 0.00 N ATOM 1647 OXT ASN A 107 -16.206 2.195 2.276 1.00 0.00 O ATOM 0 H ASN A 107 -13.386 3.774 3.673 1.00 0.00 H new ATOM 0 HA ASN A 107 -16.080 3.435 4.618 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -15.893 5.934 4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -15.729 5.379 2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -19.197 3.817 2.601 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -17.579 3.147 2.369 1.00 0.00 H new TER 1654 ASN A 107