USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 898 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 86 GLN : amide:sc= 0.102 X(o=0.2,f=0) USER MOD Set 1.2: A 110 ASN : amide:sc= 0.102 X(o=0.2,f=0) USER MOD Single : A 1 GLY N :NH3+ 128:sc= 0.0434 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1 K(o=-1,f=-0.063) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 71:sc= 0.524 USER MOD Single : A 26 ASN : amide:sc= -0.624 K(o=-0.62,f=-1.5) USER MOD Single : A 27 SER OG : rot 111:sc= -0.181 USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -7.32! C(o=-7.3!,f=-8.1!) USER MOD Single : A 46 ASN : amide:sc= -0.0453 K(o=-0.045,f=-0.71) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 HIS : no HD1:sc= -0.907 X(o=-0.91,f=-0.64) USER MOD Single : A 85 ASN : amide:sc= -0.468 K(o=-0.47,f=-1.5) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl 180:sc= -1.17 (180deg=-1.17) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 31:sc= 0.275 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 153:sc= -0.0323 (180deg=-0.888) USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 117 ASN : amide:sc= -0.0847 X(o=-0.085,f=-5.2e-05) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.443 13.055 22.242 1.00 0.00 N ATOM 2 CA GLY A 1 -20.671 13.367 21.053 1.00 0.00 C ATOM 3 C GLY A 1 -19.198 13.560 21.353 1.00 0.00 C ATOM 4 O GLY A 1 -18.823 13.878 22.481 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.252 13.704 22.311 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.789 12.076 22.184 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.842 13.161 23.084 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.788 12.563 20.326 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.067 14.273 20.594 1.00 0.00 H new ATOM 8 N SER A 2 -18.360 13.365 20.340 1.00 0.00 N ATOM 9 CA SER A 2 -16.918 13.513 20.502 1.00 0.00 C ATOM 10 C SER A 2 -16.380 14.613 19.591 1.00 0.00 C ATOM 11 O SER A 2 -16.681 14.648 18.398 1.00 0.00 O ATOM 12 CB SER A 2 -16.210 12.192 20.198 1.00 0.00 C ATOM 13 OG SER A 2 -16.253 11.321 21.315 1.00 0.00 O ATOM 0 H SER A 2 -18.654 13.104 19.399 1.00 0.00 H new ATOM 0 HA SER A 2 -16.720 13.792 21.537 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.682 11.712 19.340 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.173 12.386 19.924 1.00 0.00 H new ATOM 0 HG SER A 2 -15.795 10.483 21.094 1.00 0.00 H new ATOM 19 N SER A 3 -15.581 15.509 20.163 1.00 0.00 N ATOM 20 CA SER A 3 -15.004 16.612 19.405 1.00 0.00 C ATOM 21 C SER A 3 -13.532 16.804 19.760 1.00 0.00 C ATOM 22 O SER A 3 -13.053 16.286 20.768 1.00 0.00 O ATOM 23 CB SER A 3 -15.777 17.904 19.674 1.00 0.00 C ATOM 24 OG SER A 3 -15.899 18.145 21.065 1.00 0.00 O ATOM 0 H SER A 3 -15.319 15.492 21.149 1.00 0.00 H new ATOM 0 HA SER A 3 -15.076 16.368 18.345 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.267 18.742 19.200 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.768 17.839 19.225 1.00 0.00 H new ATOM 0 HG SER A 3 -16.395 18.977 21.210 1.00 0.00 H new ATOM 30 N GLY A 4 -12.820 17.552 18.923 1.00 0.00 N ATOM 31 CA GLY A 4 -11.411 17.800 19.165 1.00 0.00 C ATOM 32 C GLY A 4 -10.724 18.447 17.979 1.00 0.00 C ATOM 33 O GLY A 4 -11.256 18.447 16.869 1.00 0.00 O ATOM 0 H GLY A 4 -13.194 17.991 18.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.303 18.443 20.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.915 16.858 19.399 1.00 0.00 H new ATOM 37 N SER A 5 -9.539 19.002 18.214 1.00 0.00 N ATOM 38 CA SER A 5 -8.781 19.661 17.157 1.00 0.00 C ATOM 39 C SER A 5 -7.285 19.416 17.328 1.00 0.00 C ATOM 40 O SER A 5 -6.773 19.390 18.448 1.00 0.00 O ATOM 41 CB SER A 5 -9.066 21.164 17.157 1.00 0.00 C ATOM 42 OG SER A 5 -8.626 21.766 15.952 1.00 0.00 O ATOM 0 H SER A 5 -9.083 19.008 19.127 1.00 0.00 H new ATOM 0 HA SER A 5 -9.094 19.239 16.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.135 21.335 17.283 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.566 21.632 18.005 1.00 0.00 H new ATOM 0 HG SER A 5 -8.821 22.726 15.976 1.00 0.00 H new ATOM 48 N SER A 6 -6.589 19.236 16.210 1.00 0.00 N ATOM 49 CA SER A 6 -5.152 18.990 16.235 1.00 0.00 C ATOM 50 C SER A 6 -4.419 19.950 15.303 1.00 0.00 C ATOM 51 O SER A 6 -3.409 20.545 15.675 1.00 0.00 O ATOM 52 CB SER A 6 -4.854 17.544 15.833 1.00 0.00 C ATOM 53 OG SER A 6 -5.059 16.659 16.922 1.00 0.00 O ATOM 0 H SER A 6 -6.997 19.256 15.275 1.00 0.00 H new ATOM 0 HA SER A 6 -4.798 19.158 17.252 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.495 17.255 15.000 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.824 17.465 15.485 1.00 0.00 H new ATOM 0 HG SER A 6 -4.864 15.741 16.639 1.00 0.00 H new ATOM 59 N GLY A 7 -4.937 20.094 14.087 1.00 0.00 N ATOM 60 CA GLY A 7 -4.321 20.982 13.119 1.00 0.00 C ATOM 61 C GLY A 7 -4.017 20.288 11.806 1.00 0.00 C ATOM 62 O GLY A 7 -4.712 19.351 11.416 1.00 0.00 O ATOM 0 H GLY A 7 -5.772 19.611 13.755 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.983 21.828 12.934 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.398 21.384 13.536 1.00 0.00 H new ATOM 66 N ASN A 8 -2.976 20.750 11.121 1.00 0.00 N ATOM 67 CA ASN A 8 -2.583 20.168 9.843 1.00 0.00 C ATOM 68 C ASN A 8 -1.078 19.922 9.797 1.00 0.00 C ATOM 69 O ASN A 8 -0.316 20.526 10.553 1.00 0.00 O ATOM 70 CB ASN A 8 -2.995 21.088 8.692 1.00 0.00 C ATOM 71 CG ASN A 8 -2.554 22.523 8.912 1.00 0.00 C ATOM 72 OD1 ASN A 8 -3.376 23.405 9.158 1.00 0.00 O ATOM 73 ND2 ASN A 8 -1.251 22.761 8.823 1.00 0.00 N ATOM 0 H ASN A 8 -2.390 21.525 11.429 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.094 19.211 9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.564 20.717 7.762 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.078 21.057 8.576 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.895 23.707 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.606 21.998 8.617 1.00 0.00 H new ATOM 80 N ASP A 9 -0.657 19.031 8.906 1.00 0.00 N ATOM 81 CA ASP A 9 0.757 18.705 8.760 1.00 0.00 C ATOM 82 C ASP A 9 1.291 19.191 7.417 1.00 0.00 C ATOM 83 O ASP A 9 0.759 18.843 6.364 1.00 0.00 O ATOM 84 CB ASP A 9 0.971 17.196 8.892 1.00 0.00 C ATOM 85 CG ASP A 9 2.438 16.825 8.986 1.00 0.00 C ATOM 86 OD1 ASP A 9 3.209 17.603 9.586 1.00 0.00 O ATOM 87 OD2 ASP A 9 2.815 15.757 8.459 1.00 0.00 O ATOM 0 H ASP A 9 -1.275 18.522 8.274 1.00 0.00 H new ATOM 0 HA ASP A 9 1.305 19.213 9.554 1.00 0.00 H new ATOM 0 HB2 ASP A 9 0.450 16.834 9.779 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.526 16.692 8.034 1.00 0.00 H new ATOM 92 N ASN A 10 2.345 19.999 7.462 1.00 0.00 N ATOM 93 CA ASN A 10 2.950 20.535 6.248 1.00 0.00 C ATOM 94 C ASN A 10 4.186 19.731 5.855 1.00 0.00 C ATOM 95 O ASN A 10 5.217 20.296 5.490 1.00 0.00 O ATOM 96 CB ASN A 10 3.326 22.005 6.447 1.00 0.00 C ATOM 97 CG ASN A 10 2.110 22.909 6.516 1.00 0.00 C ATOM 98 OD1 ASN A 10 1.326 22.985 5.570 1.00 0.00 O ATOM 99 ND2 ASN A 10 1.949 23.599 7.639 1.00 0.00 N ATOM 0 H ASN A 10 2.798 20.297 8.326 1.00 0.00 H new ATOM 0 HA ASN A 10 2.219 20.459 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.904 22.108 7.365 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.969 22.327 5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 10 1.150 24.224 7.744 1.00 0.00 H new ATOM 0 HD22 ASN A 10 2.625 23.504 8.397 1.00 0.00 H new ATOM 106 N SER A 11 4.074 18.409 5.933 1.00 0.00 N ATOM 107 CA SER A 11 5.183 17.527 5.589 1.00 0.00 C ATOM 108 C SER A 11 4.674 16.240 4.947 1.00 0.00 C ATOM 109 O SER A 11 3.560 15.785 5.206 1.00 0.00 O ATOM 110 CB SER A 11 6.006 17.197 6.836 1.00 0.00 C ATOM 111 OG SER A 11 6.734 18.329 7.280 1.00 0.00 O ATOM 0 H SER A 11 3.227 17.925 6.231 1.00 0.00 H new ATOM 0 HA SER A 11 5.818 18.045 4.870 1.00 0.00 H new ATOM 0 HB2 SER A 11 5.345 16.851 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.694 16.381 6.616 1.00 0.00 H new ATOM 0 HG SER A 11 7.250 18.093 8.079 1.00 0.00 H new ATOM 117 N PRO A 12 5.509 15.638 4.087 1.00 0.00 N ATOM 118 CA PRO A 12 5.167 14.395 3.390 1.00 0.00 C ATOM 119 C PRO A 12 5.116 13.197 4.332 1.00 0.00 C ATOM 120 O PRO A 12 6.125 12.526 4.552 1.00 0.00 O ATOM 121 CB PRO A 12 6.304 14.232 2.377 1.00 0.00 C ATOM 122 CG PRO A 12 7.451 14.971 2.974 1.00 0.00 C ATOM 123 CD PRO A 12 6.853 16.124 3.730 1.00 0.00 C ATOM 0 HA PRO A 12 4.177 14.441 2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.548 13.181 2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.031 14.643 1.405 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.027 14.326 3.638 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.133 15.324 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.439 16.371 4.615 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.805 17.024 3.118 1.00 0.00 H new ATOM 131 N ARG A 13 3.937 12.933 4.884 1.00 0.00 N ATOM 132 CA ARG A 13 3.755 11.816 5.802 1.00 0.00 C ATOM 133 C ARG A 13 2.719 10.833 5.265 1.00 0.00 C ATOM 134 O ARG A 13 1.521 11.115 5.266 1.00 0.00 O ATOM 135 CB ARG A 13 3.325 12.325 7.179 1.00 0.00 C ATOM 136 CG ARG A 13 3.647 11.364 8.312 1.00 0.00 C ATOM 137 CD ARG A 13 2.492 10.412 8.581 1.00 0.00 C ATOM 138 NE ARG A 13 1.566 10.943 9.578 1.00 0.00 N ATOM 139 CZ ARG A 13 0.716 10.190 10.266 1.00 0.00 C ATOM 140 NH1 ARG A 13 0.675 8.880 10.067 1.00 0.00 N ATOM 141 NH2 ARG A 13 -0.095 10.747 11.157 1.00 0.00 N ATOM 0 H ARG A 13 3.092 13.478 4.711 1.00 0.00 H new ATOM 0 HA ARG A 13 4.709 11.296 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.815 13.279 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.252 12.514 7.168 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.541 10.792 8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.872 11.929 9.217 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.955 10.222 7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.884 9.454 8.924 1.00 0.00 H new ATOM 0 HE ARG A 13 1.573 11.947 9.755 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.297 8.448 9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.021 8.304 10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.066 11.754 11.314 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.748 10.168 11.685 1.00 0.00 H new ATOM 155 N PHE A 14 3.190 9.677 4.807 1.00 0.00 N ATOM 156 CA PHE A 14 2.304 8.653 4.266 1.00 0.00 C ATOM 157 C PHE A 14 0.984 8.615 5.030 1.00 0.00 C ATOM 158 O PHE A 14 0.929 8.958 6.210 1.00 0.00 O ATOM 159 CB PHE A 14 2.981 7.281 4.325 1.00 0.00 C ATOM 160 CG PHE A 14 4.127 7.136 3.366 1.00 0.00 C ATOM 161 CD1 PHE A 14 3.898 6.855 2.029 1.00 0.00 C ATOM 162 CD2 PHE A 14 5.435 7.282 3.801 1.00 0.00 C ATOM 163 CE1 PHE A 14 4.951 6.720 1.144 1.00 0.00 C ATOM 164 CE2 PHE A 14 6.492 7.148 2.921 1.00 0.00 C ATOM 165 CZ PHE A 14 6.250 6.868 1.591 1.00 0.00 C ATOM 0 H PHE A 14 4.179 9.427 4.800 1.00 0.00 H new ATOM 0 HA PHE A 14 2.093 8.903 3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 14 3.342 7.106 5.339 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.240 6.510 4.113 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.885 6.740 1.674 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.630 7.503 4.840 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.759 6.499 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 14 7.506 7.262 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 14 7.075 6.765 0.901 1.00 0.00 H new ATOM 175 N GLU A 15 -0.077 8.197 4.347 1.00 0.00 N ATOM 176 CA GLU A 15 -1.397 8.116 4.961 1.00 0.00 C ATOM 177 C GLU A 15 -1.336 7.355 6.282 1.00 0.00 C ATOM 178 O GLU A 15 -1.737 7.869 7.327 1.00 0.00 O ATOM 179 CB GLU A 15 -2.384 7.433 4.012 1.00 0.00 C ATOM 180 CG GLU A 15 -2.380 8.015 2.608 1.00 0.00 C ATOM 181 CD GLU A 15 -3.735 7.924 1.935 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.736 8.335 2.560 1.00 0.00 O ATOM 183 OE2 GLU A 15 -3.796 7.444 0.784 1.00 0.00 O ATOM 0 H GLU A 15 -0.048 7.909 3.369 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.740 9.131 5.161 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.146 6.371 3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.389 7.513 4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.070 9.059 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.642 7.489 2.003 1.00 0.00 H new ATOM 190 N LYS A 16 -0.833 6.126 6.228 1.00 0.00 N ATOM 191 CA LYS A 16 -0.718 5.293 7.419 1.00 0.00 C ATOM 192 C LYS A 16 0.742 4.966 7.716 1.00 0.00 C ATOM 193 O LYS A 16 1.546 4.787 6.802 1.00 0.00 O ATOM 194 CB LYS A 16 -1.515 3.999 7.240 1.00 0.00 C ATOM 195 CG LYS A 16 -2.668 4.125 6.259 1.00 0.00 C ATOM 196 CD LYS A 16 -2.239 3.767 4.845 1.00 0.00 C ATOM 197 CE LYS A 16 -2.333 2.269 4.597 1.00 0.00 C ATOM 198 NZ LYS A 16 -3.691 1.868 4.136 1.00 0.00 N ATOM 0 H LYS A 16 -0.498 5.685 5.371 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.126 5.850 8.262 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.842 3.212 6.898 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.905 3.686 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.484 3.472 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.052 5.145 6.276 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.867 4.296 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.215 4.101 4.679 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.595 1.977 3.850 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.087 1.733 5.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.715 0.840 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.393 2.123 4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.915 2.360 3.248 1.00 0.00 H new ATOM 212 N SER A 17 1.077 4.889 9.000 1.00 0.00 N ATOM 213 CA SER A 17 2.441 4.586 9.417 1.00 0.00 C ATOM 214 C SER A 17 2.912 3.265 8.817 1.00 0.00 C ATOM 215 O SER A 17 4.085 3.105 8.482 1.00 0.00 O ATOM 216 CB SER A 17 2.528 4.526 10.944 1.00 0.00 C ATOM 217 OG SER A 17 2.642 5.825 11.499 1.00 0.00 O ATOM 0 H SER A 17 0.423 5.032 9.769 1.00 0.00 H new ATOM 0 HA SER A 17 3.091 5.382 9.054 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.641 4.033 11.343 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.387 3.924 11.239 1.00 0.00 H new ATOM 0 HG SER A 17 2.694 5.760 12.475 1.00 0.00 H new ATOM 223 N VAL A 18 1.987 2.319 8.685 1.00 0.00 N ATOM 224 CA VAL A 18 2.305 1.011 8.125 1.00 0.00 C ATOM 225 C VAL A 18 1.247 0.572 7.120 1.00 0.00 C ATOM 226 O VAL A 18 0.163 0.126 7.499 1.00 0.00 O ATOM 227 CB VAL A 18 2.426 -0.057 9.228 1.00 0.00 C ATOM 228 CG1 VAL A 18 2.669 -1.429 8.617 1.00 0.00 C ATOM 229 CG2 VAL A 18 3.536 0.306 10.202 1.00 0.00 C ATOM 0 H VAL A 18 1.011 2.434 8.958 1.00 0.00 H new ATOM 0 HA VAL A 18 3.265 1.108 7.618 1.00 0.00 H new ATOM 0 HB VAL A 18 1.487 -0.092 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.752 -2.171 9.411 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.837 -1.689 7.963 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.593 -1.411 8.039 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.607 -0.460 10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.483 0.370 9.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.314 1.268 10.664 1.00 0.00 H new ATOM 239 N TYR A 19 1.568 0.699 5.837 1.00 0.00 N ATOM 240 CA TYR A 19 0.643 0.317 4.776 1.00 0.00 C ATOM 241 C TYR A 19 0.334 -1.176 4.836 1.00 0.00 C ATOM 242 O TYR A 19 1.134 -2.004 4.403 1.00 0.00 O ATOM 243 CB TYR A 19 1.228 0.674 3.409 1.00 0.00 C ATOM 244 CG TYR A 19 0.902 2.080 2.959 1.00 0.00 C ATOM 245 CD1 TYR A 19 1.003 3.152 3.836 1.00 0.00 C ATOM 246 CD2 TYR A 19 0.493 2.336 1.656 1.00 0.00 C ATOM 247 CE1 TYR A 19 0.705 4.438 3.430 1.00 0.00 C ATOM 248 CE2 TYR A 19 0.194 3.619 1.240 1.00 0.00 C ATOM 249 CZ TYR A 19 0.301 4.666 2.130 1.00 0.00 C ATOM 250 OH TYR A 19 0.004 5.946 1.721 1.00 0.00 O ATOM 0 H TYR A 19 2.462 1.063 5.507 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.286 0.868 4.921 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.311 0.555 3.444 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.854 -0.032 2.667 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.320 2.977 4.853 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.407 1.518 0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.788 5.260 4.125 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.122 3.801 0.223 1.00 0.00 H new ATOM 0 HH TYR A 19 0.830 6.470 1.661 1.00 0.00 H new ATOM 260 N GLU A 20 -0.835 -1.510 5.375 1.00 0.00 N ATOM 261 CA GLU A 20 -1.251 -2.903 5.491 1.00 0.00 C ATOM 262 C GLU A 20 -2.144 -3.304 4.321 1.00 0.00 C ATOM 263 O GLU A 20 -3.290 -2.864 4.222 1.00 0.00 O ATOM 264 CB GLU A 20 -1.990 -3.129 6.812 1.00 0.00 C ATOM 265 CG GLU A 20 -2.023 -4.584 7.250 1.00 0.00 C ATOM 266 CD GLU A 20 -2.434 -4.747 8.700 1.00 0.00 C ATOM 267 OE1 GLU A 20 -3.425 -4.108 9.112 1.00 0.00 O ATOM 268 OE2 GLU A 20 -1.765 -5.514 9.423 1.00 0.00 O ATOM 0 H GLU A 20 -1.509 -0.836 5.738 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.356 -3.525 5.472 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.514 -2.534 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.013 -2.765 6.713 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.717 -5.135 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.038 -5.026 7.104 1.00 0.00 H new ATOM 275 N ALA A 21 -1.611 -4.140 3.436 1.00 0.00 N ATOM 276 CA ALA A 21 -2.359 -4.601 2.273 1.00 0.00 C ATOM 277 C ALA A 21 -2.241 -6.112 2.109 1.00 0.00 C ATOM 278 O ALA A 21 -1.214 -6.704 2.441 1.00 0.00 O ATOM 279 CB ALA A 21 -1.874 -3.891 1.018 1.00 0.00 C ATOM 0 H ALA A 21 -0.664 -4.512 3.502 1.00 0.00 H new ATOM 0 HA ALA A 21 -3.411 -4.360 2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.441 -4.245 0.157 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.017 -2.816 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.815 -4.102 0.867 1.00 0.00 H new ATOM 285 N ASP A 22 -3.298 -6.731 1.594 1.00 0.00 N ATOM 286 CA ASP A 22 -3.313 -8.174 1.385 1.00 0.00 C ATOM 287 C ASP A 22 -2.959 -8.517 -0.059 1.00 0.00 C ATOM 288 O ASP A 22 -3.724 -8.232 -0.981 1.00 0.00 O ATOM 289 CB ASP A 22 -4.686 -8.748 1.737 1.00 0.00 C ATOM 290 CG ASP A 22 -4.894 -8.874 3.233 1.00 0.00 C ATOM 291 OD1 ASP A 22 -4.749 -7.855 3.940 1.00 0.00 O ATOM 292 OD2 ASP A 22 -5.201 -9.992 3.698 1.00 0.00 O ATOM 0 H ASP A 22 -4.156 -6.256 1.314 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.564 -8.619 2.040 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.462 -8.108 1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.796 -9.729 1.274 1.00 0.00 H new ATOM 297 N LEU A 23 -1.796 -9.129 -0.248 1.00 0.00 N ATOM 298 CA LEU A 23 -1.339 -9.511 -1.580 1.00 0.00 C ATOM 299 C LEU A 23 -1.493 -11.013 -1.799 1.00 0.00 C ATOM 300 O LEU A 23 -1.033 -11.818 -0.991 1.00 0.00 O ATOM 301 CB LEU A 23 0.122 -9.102 -1.777 1.00 0.00 C ATOM 302 CG LEU A 23 0.602 -9.004 -3.225 1.00 0.00 C ATOM 303 CD1 LEU A 23 0.930 -10.384 -3.774 1.00 0.00 C ATOM 304 CD2 LEU A 23 -0.448 -8.321 -4.090 1.00 0.00 C ATOM 0 H LEU A 23 -1.151 -9.372 0.504 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.957 -8.991 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.275 -8.135 -1.298 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.753 -9.820 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 23 1.510 -8.402 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.270 -10.294 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.717 -10.838 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.039 -11.011 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.089 -8.260 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.373 -8.897 -4.062 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.635 -7.316 -3.711 1.00 0.00 H new ATOM 316 N ALA A 24 -2.142 -11.382 -2.898 1.00 0.00 N ATOM 317 CA ALA A 24 -2.353 -12.786 -3.226 1.00 0.00 C ATOM 318 C ALA A 24 -1.068 -13.430 -3.737 1.00 0.00 C ATOM 319 O ALA A 24 -0.403 -12.891 -4.620 1.00 0.00 O ATOM 320 CB ALA A 24 -3.462 -12.927 -4.258 1.00 0.00 C ATOM 0 H ALA A 24 -2.531 -10.727 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.652 -13.305 -2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.608 -13.981 -4.493 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.387 -12.513 -3.857 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.186 -12.388 -5.164 1.00 0.00 H new ATOM 326 N GLU A 25 -0.726 -14.584 -3.174 1.00 0.00 N ATOM 327 CA GLU A 25 0.481 -15.299 -3.572 1.00 0.00 C ATOM 328 C GLU A 25 0.436 -15.658 -5.055 1.00 0.00 C ATOM 329 O GLU A 25 1.465 -15.688 -5.728 1.00 0.00 O ATOM 330 CB GLU A 25 0.649 -16.569 -2.734 1.00 0.00 C ATOM 331 CG GLU A 25 -0.426 -17.612 -2.988 1.00 0.00 C ATOM 332 CD GLU A 25 0.032 -19.016 -2.645 1.00 0.00 C ATOM 333 OE1 GLU A 25 1.107 -19.425 -3.132 1.00 0.00 O ATOM 334 OE2 GLU A 25 -0.684 -19.707 -1.891 1.00 0.00 O ATOM 0 H GLU A 25 -1.267 -15.044 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 25 1.334 -14.643 -3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.625 -17.007 -2.944 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.641 -16.301 -1.678 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.310 -17.368 -2.399 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.722 -17.576 -4.037 1.00 0.00 H new ATOM 341 N ASN A 26 -0.764 -15.930 -5.556 1.00 0.00 N ATOM 342 CA ASN A 26 -0.944 -16.289 -6.958 1.00 0.00 C ATOM 343 C ASN A 26 -0.790 -15.065 -7.856 1.00 0.00 C ATOM 344 O ASN A 26 -0.680 -15.187 -9.076 1.00 0.00 O ATOM 345 CB ASN A 26 -2.321 -16.922 -7.172 1.00 0.00 C ATOM 346 CG ASN A 26 -2.680 -17.041 -8.640 1.00 0.00 C ATOM 347 OD1 ASN A 26 -3.131 -16.078 -9.261 1.00 0.00 O ATOM 348 ND2 ASN A 26 -2.482 -18.228 -9.203 1.00 0.00 N ATOM 0 H ASN A 26 -1.627 -15.909 -5.012 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.174 -17.013 -7.224 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.338 -17.911 -6.715 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.076 -16.323 -6.663 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.706 -18.369 -10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -2.106 -18.998 -8.650 1.00 0.00 H new ATOM 355 N SER A 27 -0.783 -13.885 -7.243 1.00 0.00 N ATOM 356 CA SER A 27 -0.646 -12.639 -7.987 1.00 0.00 C ATOM 357 C SER A 27 0.518 -12.718 -8.970 1.00 0.00 C ATOM 358 O SER A 27 1.654 -12.994 -8.584 1.00 0.00 O ATOM 359 CB SER A 27 -0.437 -11.467 -7.026 1.00 0.00 C ATOM 360 OG SER A 27 -1.595 -11.237 -6.243 1.00 0.00 O ATOM 0 H SER A 27 -0.871 -13.766 -6.234 1.00 0.00 H new ATOM 0 HA SER A 27 -1.565 -12.479 -8.551 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.411 -11.674 -6.374 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.192 -10.568 -7.592 1.00 0.00 H new ATOM 0 HG SER A 27 -1.413 -11.480 -5.311 1.00 0.00 H new ATOM 366 N ALA A 28 0.227 -12.474 -10.244 1.00 0.00 N ATOM 367 CA ALA A 28 1.248 -12.515 -11.283 1.00 0.00 C ATOM 368 C ALA A 28 2.410 -11.586 -10.949 1.00 0.00 C ATOM 369 O ALA A 28 2.323 -10.740 -10.058 1.00 0.00 O ATOM 370 CB ALA A 28 0.645 -12.146 -12.630 1.00 0.00 C ATOM 0 H ALA A 28 -0.708 -12.246 -10.581 1.00 0.00 H new ATOM 0 HA ALA A 28 1.635 -13.532 -11.337 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.419 -12.181 -13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.146 -12.853 -12.880 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.229 -11.140 -12.579 1.00 0.00 H new ATOM 376 N PRO A 29 3.525 -11.745 -11.677 1.00 0.00 N ATOM 377 CA PRO A 29 4.725 -10.929 -11.476 1.00 0.00 C ATOM 378 C PRO A 29 4.525 -9.483 -11.918 1.00 0.00 C ATOM 379 O PRO A 29 5.476 -8.706 -11.981 1.00 0.00 O ATOM 380 CB PRO A 29 5.773 -11.616 -12.354 1.00 0.00 C ATOM 381 CG PRO A 29 4.985 -12.313 -13.409 1.00 0.00 C ATOM 382 CD PRO A 29 3.698 -12.734 -12.755 1.00 0.00 C ATOM 0 HA PRO A 29 5.004 -10.868 -10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.462 -10.892 -12.788 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.373 -12.320 -11.777 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.795 -11.652 -14.255 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.527 -13.176 -13.795 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.865 -12.713 -13.457 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.759 -13.749 -12.363 1.00 0.00 H new ATOM 390 N GLY A 30 3.280 -9.130 -12.223 1.00 0.00 N ATOM 391 CA GLY A 30 2.977 -7.778 -12.655 1.00 0.00 C ATOM 392 C GLY A 30 1.789 -7.187 -11.922 1.00 0.00 C ATOM 393 O GLY A 30 1.662 -5.967 -11.811 1.00 0.00 O ATOM 0 H GLY A 30 2.476 -9.756 -12.179 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.850 -7.145 -12.496 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.775 -7.779 -13.726 1.00 0.00 H new ATOM 397 N THR A 31 0.914 -8.053 -11.421 1.00 0.00 N ATOM 398 CA THR A 31 -0.271 -7.610 -10.698 1.00 0.00 C ATOM 399 C THR A 31 0.068 -6.491 -9.720 1.00 0.00 C ATOM 400 O THR A 31 1.047 -6.559 -8.976 1.00 0.00 O ATOM 401 CB THR A 31 -0.924 -8.772 -9.925 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.229 -9.846 -10.821 1.00 0.00 O ATOM 403 CG2 THR A 31 -2.195 -8.310 -9.227 1.00 0.00 C ATOM 0 H THR A 31 1.004 -9.066 -11.503 1.00 0.00 H new ATOM 0 HA THR A 31 -0.975 -7.237 -11.442 1.00 0.00 H new ATOM 0 HB THR A 31 -0.219 -9.119 -9.170 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.782 -10.510 -10.359 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.639 -9.147 -8.688 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.955 -7.512 -8.524 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.903 -7.940 -9.968 1.00 0.00 H new ATOM 411 N PRO A 32 -0.759 -5.435 -9.717 1.00 0.00 N ATOM 412 CA PRO A 32 -0.567 -4.282 -8.833 1.00 0.00 C ATOM 413 C PRO A 32 -0.837 -4.620 -7.371 1.00 0.00 C ATOM 414 O PRO A 32 -1.574 -5.558 -7.067 1.00 0.00 O ATOM 415 CB PRO A 32 -1.594 -3.268 -9.345 1.00 0.00 C ATOM 416 CG PRO A 32 -2.651 -4.094 -9.993 1.00 0.00 C ATOM 417 CD PRO A 32 -1.946 -5.287 -10.576 1.00 0.00 C ATOM 0 HA PRO A 32 0.460 -3.919 -8.855 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.002 -2.672 -8.529 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -1.145 -2.573 -10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.405 -4.402 -9.268 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.167 -3.528 -10.769 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -2.574 -6.177 -10.550 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.670 -5.122 -11.617 1.00 0.00 H new ATOM 425 N ILE A 33 -0.235 -3.851 -6.470 1.00 0.00 N ATOM 426 CA ILE A 33 -0.412 -4.069 -5.040 1.00 0.00 C ATOM 427 C ILE A 33 -1.149 -2.902 -4.392 1.00 0.00 C ATOM 428 O ILE A 33 -2.227 -3.073 -3.823 1.00 0.00 O ATOM 429 CB ILE A 33 0.940 -4.267 -4.329 1.00 0.00 C ATOM 430 CG1 ILE A 33 1.745 -5.373 -5.015 1.00 0.00 C ATOM 431 CG2 ILE A 33 0.723 -4.596 -2.860 1.00 0.00 C ATOM 432 CD1 ILE A 33 3.184 -5.447 -4.553 1.00 0.00 C ATOM 0 H ILE A 33 0.379 -3.072 -6.705 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.007 -4.976 -4.931 1.00 0.00 H new ATOM 0 HB ILE A 33 1.507 -3.338 -4.393 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.262 -6.332 -4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.726 -5.211 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.688 -4.733 -2.371 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.186 -3.778 -2.380 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.140 -5.513 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.695 -6.253 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.683 -4.501 -4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.212 -5.640 -3.481 1.00 0.00 H new ATOM 444 N LEU A 34 -0.560 -1.714 -4.485 1.00 0.00 N ATOM 445 CA LEU A 34 -1.161 -0.516 -3.910 1.00 0.00 C ATOM 446 C LEU A 34 -0.428 0.738 -4.375 1.00 0.00 C ATOM 447 O LEU A 34 0.764 0.694 -4.677 1.00 0.00 O ATOM 448 CB LEU A 34 -1.142 -0.595 -2.382 1.00 0.00 C ATOM 449 CG LEU A 34 0.201 -0.955 -1.745 1.00 0.00 C ATOM 450 CD1 LEU A 34 1.057 0.289 -1.566 1.00 0.00 C ATOM 451 CD2 LEU A 34 -0.012 -1.655 -0.411 1.00 0.00 C ATOM 0 H LEU A 34 0.332 -1.555 -4.953 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.194 -0.458 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.464 0.368 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.880 -1.333 -2.067 1.00 0.00 H new ATOM 0 HG LEU A 34 0.726 -1.639 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.009 0.014 -1.111 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.238 0.749 -2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.538 0.998 -0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.954 -1.904 0.028 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.558 -0.995 0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.586 -2.569 -0.567 1.00 0.00 H new ATOM 463 N GLN A 35 -1.148 1.854 -4.428 1.00 0.00 N ATOM 464 CA GLN A 35 -0.565 3.120 -4.855 1.00 0.00 C ATOM 465 C GLN A 35 -0.181 3.975 -3.652 1.00 0.00 C ATOM 466 O GLN A 35 -1.032 4.616 -3.035 1.00 0.00 O ATOM 467 CB GLN A 35 -1.546 3.883 -5.745 1.00 0.00 C ATOM 468 CG GLN A 35 -1.101 5.301 -6.066 1.00 0.00 C ATOM 469 CD GLN A 35 -1.901 5.923 -7.194 1.00 0.00 C ATOM 470 OE1 GLN A 35 -3.074 5.603 -7.388 1.00 0.00 O ATOM 471 NE2 GLN A 35 -1.269 6.818 -7.944 1.00 0.00 N ATOM 0 H GLN A 35 -2.136 1.907 -4.180 1.00 0.00 H new ATOM 0 HA GLN A 35 0.338 2.901 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.681 3.334 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.518 3.919 -5.253 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -1.198 5.919 -5.173 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.045 5.294 -6.336 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.296 7.053 -7.747 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.756 7.271 -8.717 1.00 0.00 H new ATOM 480 N LEU A 36 1.107 3.980 -3.323 1.00 0.00 N ATOM 481 CA LEU A 36 1.604 4.757 -2.193 1.00 0.00 C ATOM 482 C LEU A 36 1.184 6.219 -2.309 1.00 0.00 C ATOM 483 O LEU A 36 1.329 6.834 -3.366 1.00 0.00 O ATOM 484 CB LEU A 36 3.129 4.657 -2.112 1.00 0.00 C ATOM 485 CG LEU A 36 3.689 3.321 -1.625 1.00 0.00 C ATOM 486 CD1 LEU A 36 5.204 3.297 -1.759 1.00 0.00 C ATOM 487 CD2 LEU A 36 3.275 3.062 -0.184 1.00 0.00 C ATOM 0 H LEU A 36 1.825 3.455 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 36 1.170 4.346 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.539 4.861 -3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.490 5.443 -1.448 1.00 0.00 H new ATOM 0 HG LEU A 36 3.277 2.527 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.585 2.338 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.479 3.436 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.635 4.100 -1.161 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.683 2.106 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.658 3.859 0.453 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.187 3.035 -0.117 1.00 0.00 H new ATOM 499 N ARG A 37 0.665 6.769 -1.216 1.00 0.00 N ATOM 500 CA ARG A 37 0.225 8.158 -1.196 1.00 0.00 C ATOM 501 C ARG A 37 0.534 8.806 0.151 1.00 0.00 C ATOM 502 O ARG A 37 0.989 8.142 1.081 1.00 0.00 O ATOM 503 CB ARG A 37 -1.275 8.245 -1.484 1.00 0.00 C ATOM 504 CG ARG A 37 -1.615 8.190 -2.964 1.00 0.00 C ATOM 505 CD ARG A 37 -3.101 8.407 -3.202 1.00 0.00 C ATOM 506 NE ARG A 37 -3.362 9.044 -4.491 1.00 0.00 N ATOM 507 CZ ARG A 37 -4.554 9.056 -5.077 1.00 0.00 C ATOM 508 NH1 ARG A 37 -5.589 8.470 -4.493 1.00 0.00 N ATOM 509 NH2 ARG A 37 -4.711 9.657 -6.250 1.00 0.00 N ATOM 0 H ARG A 37 0.539 6.274 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 37 0.768 8.696 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.783 7.427 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.664 9.173 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.045 8.950 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -1.317 7.224 -3.371 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.619 7.449 -3.160 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.510 9.025 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.586 9.505 -4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.472 8.008 -3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.503 8.481 -4.945 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.916 10.110 -6.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.626 9.666 -6.700 1.00 0.00 H new ATOM 523 N ALA A 38 0.283 10.108 0.247 1.00 0.00 N ATOM 524 CA ALA A 38 0.532 10.845 1.479 1.00 0.00 C ATOM 525 C ALA A 38 -0.776 11.270 2.139 1.00 0.00 C ATOM 526 O ALA A 38 -0.959 11.096 3.343 1.00 0.00 O ATOM 527 CB ALA A 38 1.404 12.061 1.199 1.00 0.00 C ATOM 0 H ALA A 38 -0.093 10.674 -0.514 1.00 0.00 H new ATOM 0 HA ALA A 38 1.058 10.185 2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.582 12.603 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.356 11.737 0.779 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.899 12.715 0.489 1.00 0.00 H new ATOM 533 N ALA A 39 -1.681 11.829 1.342 1.00 0.00 N ATOM 534 CA ALA A 39 -2.972 12.277 1.849 1.00 0.00 C ATOM 535 C ALA A 39 -3.848 12.813 0.722 1.00 0.00 C ATOM 536 O ALA A 39 -3.374 13.041 -0.391 1.00 0.00 O ATOM 537 CB ALA A 39 -2.778 13.340 2.920 1.00 0.00 C ATOM 0 H ALA A 39 -1.544 11.982 0.343 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.479 11.419 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.750 13.666 3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.197 12.925 3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.248 14.192 2.495 1.00 0.00 H new ATOM 543 N ASP A 40 -5.128 13.011 1.017 1.00 0.00 N ATOM 544 CA ASP A 40 -6.071 13.520 0.029 1.00 0.00 C ATOM 545 C ASP A 40 -6.464 14.960 0.344 1.00 0.00 C ATOM 546 O ASP A 40 -7.621 15.246 0.653 1.00 0.00 O ATOM 547 CB ASP A 40 -7.319 12.637 -0.020 1.00 0.00 C ATOM 548 CG ASP A 40 -7.647 12.024 1.327 1.00 0.00 C ATOM 549 OD1 ASP A 40 -7.018 11.007 1.686 1.00 0.00 O ATOM 550 OD2 ASP A 40 -8.533 12.563 2.024 1.00 0.00 O ATOM 0 H ASP A 40 -5.536 12.826 1.933 1.00 0.00 H new ATOM 0 HA ASP A 40 -5.583 13.500 -0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.167 13.230 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.170 11.842 -0.751 1.00 0.00 H new ATOM 555 N LEU A 41 -5.493 15.864 0.264 1.00 0.00 N ATOM 556 CA LEU A 41 -5.737 17.275 0.542 1.00 0.00 C ATOM 557 C LEU A 41 -5.116 18.157 -0.537 1.00 0.00 C ATOM 558 O LEU A 41 -5.805 18.955 -1.172 1.00 0.00 O ATOM 559 CB LEU A 41 -5.171 17.650 1.912 1.00 0.00 C ATOM 560 CG LEU A 41 -5.509 16.700 3.062 1.00 0.00 C ATOM 561 CD1 LEU A 41 -4.611 16.970 4.259 1.00 0.00 C ATOM 562 CD2 LEU A 41 -6.974 16.833 3.450 1.00 0.00 C ATOM 0 H LEU A 41 -4.530 15.645 0.009 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.815 17.439 0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.086 17.716 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.532 18.645 2.172 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.334 15.678 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.866 16.285 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.570 16.822 3.973 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.753 17.997 4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.197 16.150 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.175 17.857 3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.601 16.588 2.593 1.00 0.00 H new ATOM 574 N ASP A 42 -3.812 18.006 -0.738 1.00 0.00 N ATOM 575 CA ASP A 42 -3.098 18.787 -1.742 1.00 0.00 C ATOM 576 C ASP A 42 -3.133 18.089 -3.099 1.00 0.00 C ATOM 577 O ASP A 42 -2.094 17.712 -3.642 1.00 0.00 O ATOM 578 CB ASP A 42 -1.649 19.013 -1.308 1.00 0.00 C ATOM 579 CG ASP A 42 -1.482 20.273 -0.482 1.00 0.00 C ATOM 580 OD1 ASP A 42 -2.435 20.642 0.235 1.00 0.00 O ATOM 581 OD2 ASP A 42 -0.399 20.890 -0.553 1.00 0.00 O ATOM 0 H ASP A 42 -3.228 17.350 -0.219 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.595 19.752 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.308 18.155 -0.729 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.014 19.074 -2.191 1.00 0.00 H new ATOM 586 N VAL A 43 -4.335 17.919 -3.641 1.00 0.00 N ATOM 587 CA VAL A 43 -4.505 17.267 -4.933 1.00 0.00 C ATOM 588 C VAL A 43 -4.208 18.229 -6.078 1.00 0.00 C ATOM 589 O VAL A 43 -4.925 18.262 -7.077 1.00 0.00 O ATOM 590 CB VAL A 43 -5.933 16.714 -5.099 1.00 0.00 C ATOM 591 CG1 VAL A 43 -6.228 15.669 -4.035 1.00 0.00 C ATOM 592 CG2 VAL A 43 -6.951 17.844 -5.045 1.00 0.00 C ATOM 0 H VAL A 43 -5.205 18.224 -3.205 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.797 16.439 -4.965 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.007 16.235 -6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.241 15.290 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.518 14.847 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.137 16.120 -3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.955 17.436 -5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -6.878 18.354 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.750 18.553 -5.848 1.00 0.00 H new ATOM 602 N GLY A 44 -3.145 19.012 -5.925 1.00 0.00 N ATOM 603 CA GLY A 44 -2.771 19.965 -6.954 1.00 0.00 C ATOM 604 C GLY A 44 -1.348 20.462 -6.794 1.00 0.00 C ATOM 605 O GLY A 44 -1.044 21.611 -7.115 1.00 0.00 O ATOM 0 H GLY A 44 -2.536 19.004 -5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.882 19.500 -7.933 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.454 20.814 -6.925 1.00 0.00 H new ATOM 609 N VAL A 45 -0.472 19.595 -6.296 1.00 0.00 N ATOM 610 CA VAL A 45 0.927 19.952 -6.094 1.00 0.00 C ATOM 611 C VAL A 45 1.648 20.125 -7.426 1.00 0.00 C ATOM 612 O VAL A 45 1.355 19.429 -8.397 1.00 0.00 O ATOM 613 CB VAL A 45 1.663 18.887 -5.260 1.00 0.00 C ATOM 614 CG1 VAL A 45 3.140 19.231 -5.137 1.00 0.00 C ATOM 615 CG2 VAL A 45 1.023 18.751 -3.886 1.00 0.00 C ATOM 0 H VAL A 45 -0.707 18.640 -6.025 1.00 0.00 H new ATOM 0 HA VAL A 45 0.937 20.898 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 45 1.579 17.928 -5.772 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.643 18.467 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.588 19.273 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.249 20.199 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.555 17.994 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.074 19.707 -3.365 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.020 18.454 -3.998 1.00 0.00 H new ATOM 625 N ASN A 46 2.593 21.059 -7.464 1.00 0.00 N ATOM 626 CA ASN A 46 3.357 21.324 -8.678 1.00 0.00 C ATOM 627 C ASN A 46 4.012 20.049 -9.198 1.00 0.00 C ATOM 628 O ASN A 46 3.997 19.775 -10.397 1.00 0.00 O ATOM 629 CB ASN A 46 4.425 22.387 -8.411 1.00 0.00 C ATOM 630 CG ASN A 46 5.482 22.431 -9.498 1.00 0.00 C ATOM 631 OD1 ASN A 46 5.178 22.278 -10.681 1.00 0.00 O ATOM 632 ND2 ASN A 46 6.731 22.639 -9.100 1.00 0.00 N ATOM 0 H ASN A 46 2.848 21.645 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 46 2.668 21.693 -9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.949 23.364 -8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 46 4.902 22.186 -7.452 1.00 0.00 H new ATOM 0 HD21 ASN A 46 7.485 22.677 -9.786 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.937 22.761 -8.108 1.00 0.00 H new ATOM 639 N GLY A 47 4.588 19.271 -8.286 1.00 0.00 N ATOM 640 CA GLY A 47 5.241 18.033 -8.672 1.00 0.00 C ATOM 641 C GLY A 47 4.494 16.808 -8.183 1.00 0.00 C ATOM 642 O GLY A 47 3.271 16.734 -8.294 1.00 0.00 O ATOM 0 H GLY A 47 4.614 19.476 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.326 17.994 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.255 18.020 -8.272 1.00 0.00 H new ATOM 646 N GLN A 48 5.232 15.844 -7.642 1.00 0.00 N ATOM 647 CA GLN A 48 4.632 14.615 -7.137 1.00 0.00 C ATOM 648 C GLN A 48 5.596 13.877 -6.215 1.00 0.00 C ATOM 649 O GLN A 48 6.630 13.373 -6.656 1.00 0.00 O ATOM 650 CB GLN A 48 4.223 13.707 -8.299 1.00 0.00 C ATOM 651 CG GLN A 48 2.997 14.197 -9.052 1.00 0.00 C ATOM 652 CD GLN A 48 2.192 13.064 -9.657 1.00 0.00 C ATOM 653 OE1 GLN A 48 2.223 12.843 -10.868 1.00 0.00 O ATOM 654 NE2 GLN A 48 1.466 12.338 -8.815 1.00 0.00 N ATOM 0 H GLN A 48 6.246 15.890 -7.542 1.00 0.00 H new ATOM 0 HA GLN A 48 3.744 14.883 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.057 13.624 -8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.027 12.706 -7.915 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.362 14.767 -8.373 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.310 14.878 -9.843 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.470 12.557 -7.819 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.904 11.562 -9.164 1.00 0.00 H new ATOM 663 N ILE A 49 5.252 13.817 -4.933 1.00 0.00 N ATOM 664 CA ILE A 49 6.088 13.140 -3.949 1.00 0.00 C ATOM 665 C ILE A 49 6.729 11.889 -4.540 1.00 0.00 C ATOM 666 O ILE A 49 6.036 10.949 -4.928 1.00 0.00 O ATOM 667 CB ILE A 49 5.279 12.747 -2.699 1.00 0.00 C ATOM 668 CG1 ILE A 49 4.652 13.987 -2.059 1.00 0.00 C ATOM 669 CG2 ILE A 49 6.167 12.021 -1.700 1.00 0.00 C ATOM 670 CD1 ILE A 49 5.669 14.984 -1.551 1.00 0.00 C ATOM 0 H ILE A 49 4.400 14.229 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 49 6.869 13.844 -3.660 1.00 0.00 H new ATOM 0 HB ILE A 49 4.478 12.073 -3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.008 14.477 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.015 13.676 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.581 11.750 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.570 11.119 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.987 12.673 -1.401 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.153 15.837 -1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.297 14.510 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.290 15.324 -2.379 1.00 0.00 H new ATOM 682 N GLU A 50 8.057 11.884 -4.603 1.00 0.00 N ATOM 683 CA GLU A 50 8.791 10.748 -5.146 1.00 0.00 C ATOM 684 C GLU A 50 8.973 9.662 -4.089 1.00 0.00 C ATOM 685 O GLU A 50 9.721 9.836 -3.127 1.00 0.00 O ATOM 686 CB GLU A 50 10.156 11.198 -5.670 1.00 0.00 C ATOM 687 CG GLU A 50 11.068 11.759 -4.592 1.00 0.00 C ATOM 688 CD GLU A 50 12.219 12.564 -5.162 1.00 0.00 C ATOM 689 OE1 GLU A 50 12.971 12.017 -5.995 1.00 0.00 O ATOM 690 OE2 GLU A 50 12.368 13.742 -4.775 1.00 0.00 O ATOM 0 H GLU A 50 8.646 12.654 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 50 8.211 10.334 -5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 50 10.650 10.351 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.008 11.956 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.485 12.390 -3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.465 10.939 -3.994 1.00 0.00 H new ATOM 697 N TYR A 51 8.282 8.543 -4.275 1.00 0.00 N ATOM 698 CA TYR A 51 8.364 7.430 -3.336 1.00 0.00 C ATOM 699 C TYR A 51 9.461 6.452 -3.746 1.00 0.00 C ATOM 700 O TYR A 51 9.440 5.901 -4.846 1.00 0.00 O ATOM 701 CB TYR A 51 7.021 6.702 -3.257 1.00 0.00 C ATOM 702 CG TYR A 51 5.829 7.633 -3.231 1.00 0.00 C ATOM 703 CD1 TYR A 51 5.240 8.073 -4.410 1.00 0.00 C ATOM 704 CD2 TYR A 51 5.292 8.072 -2.027 1.00 0.00 C ATOM 705 CE1 TYR A 51 4.152 8.923 -4.390 1.00 0.00 C ATOM 706 CE2 TYR A 51 4.203 8.921 -1.998 1.00 0.00 C ATOM 707 CZ TYR A 51 3.636 9.344 -3.182 1.00 0.00 C ATOM 708 OH TYR A 51 2.552 10.191 -3.158 1.00 0.00 O ATOM 0 H TYR A 51 7.659 8.382 -5.067 1.00 0.00 H new ATOM 0 HA TYR A 51 8.610 7.834 -2.354 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.930 6.032 -4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.006 6.081 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.640 7.745 -5.358 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.734 7.744 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.707 9.257 -5.316 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.798 9.252 -1.053 1.00 0.00 H new ATOM 0 HH TYR A 51 2.313 10.390 -2.229 1.00 0.00 H new ATOM 718 N VAL A 52 10.420 6.241 -2.850 1.00 0.00 N ATOM 719 CA VAL A 52 11.526 5.328 -3.115 1.00 0.00 C ATOM 720 C VAL A 52 11.626 4.257 -2.035 1.00 0.00 C ATOM 721 O VAL A 52 10.961 4.338 -1.002 1.00 0.00 O ATOM 722 CB VAL A 52 12.867 6.081 -3.200 1.00 0.00 C ATOM 723 CG1 VAL A 52 12.893 6.989 -4.420 1.00 0.00 C ATOM 724 CG2 VAL A 52 13.112 6.878 -1.927 1.00 0.00 C ATOM 0 H VAL A 52 10.453 6.690 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 52 11.322 4.854 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 52 13.669 5.350 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.848 7.513 -4.463 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.766 6.390 -5.322 1.00 0.00 H new ATOM 0 HG13 VAL A 52 12.084 7.716 -4.350 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.064 7.404 -2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.308 7.601 -1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.140 6.201 -1.073 1.00 0.00 H new ATOM 734 N PHE A 53 12.460 3.252 -2.281 1.00 0.00 N ATOM 735 CA PHE A 53 12.647 2.163 -1.330 1.00 0.00 C ATOM 736 C PHE A 53 13.556 2.592 -0.183 1.00 0.00 C ATOM 737 O PHE A 53 14.752 2.303 -0.183 1.00 0.00 O ATOM 738 CB PHE A 53 13.237 0.939 -2.033 1.00 0.00 C ATOM 739 CG PHE A 53 12.198 -0.016 -2.548 1.00 0.00 C ATOM 740 CD1 PHE A 53 11.330 -0.653 -1.676 1.00 0.00 C ATOM 741 CD2 PHE A 53 12.089 -0.276 -3.905 1.00 0.00 C ATOM 742 CE1 PHE A 53 10.373 -1.532 -2.147 1.00 0.00 C ATOM 743 CE2 PHE A 53 11.133 -1.153 -4.381 1.00 0.00 C ATOM 744 CZ PHE A 53 10.275 -1.783 -3.501 1.00 0.00 C ATOM 0 H PHE A 53 13.017 3.169 -3.131 1.00 0.00 H new ATOM 0 HA PHE A 53 11.672 1.902 -0.919 1.00 0.00 H new ATOM 0 HB2 PHE A 53 13.857 1.272 -2.865 1.00 0.00 H new ATOM 0 HB3 PHE A 53 13.891 0.412 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.402 -0.460 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.758 0.212 -4.598 1.00 0.00 H new ATOM 0 HE1 PHE A 53 9.703 -2.022 -1.456 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.057 -1.346 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.529 -2.471 -3.871 1.00 0.00 H new ATOM 754 N GLY A 54 12.980 3.286 0.795 1.00 0.00 N ATOM 755 CA GLY A 54 13.753 3.745 1.934 1.00 0.00 C ATOM 756 C GLY A 54 14.640 2.658 2.509 1.00 0.00 C ATOM 757 O GLY A 54 15.865 2.736 2.419 1.00 0.00 O ATOM 0 H GLY A 54 11.992 3.538 0.818 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.370 4.592 1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.075 4.104 2.708 1.00 0.00 H new ATOM 761 N ALA A 55 14.020 1.644 3.103 1.00 0.00 N ATOM 762 CA ALA A 55 14.762 0.537 3.694 1.00 0.00 C ATOM 763 C ALA A 55 14.214 -0.806 3.222 1.00 0.00 C ATOM 764 O ALA A 55 13.322 -1.378 3.848 1.00 0.00 O ATOM 765 CB ALA A 55 14.716 0.623 5.213 1.00 0.00 C ATOM 0 H ALA A 55 13.007 1.566 3.188 1.00 0.00 H new ATOM 0 HA ALA A 55 15.799 0.612 3.367 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.274 -0.210 5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.161 1.564 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 55 13.680 0.577 5.549 1.00 0.00 H new ATOM 771 N ALA A 56 14.753 -1.303 2.114 1.00 0.00 N ATOM 772 CA ALA A 56 14.319 -2.579 1.558 1.00 0.00 C ATOM 773 C ALA A 56 15.514 -3.448 1.180 1.00 0.00 C ATOM 774 O ALA A 56 16.648 -2.972 1.121 1.00 0.00 O ATOM 775 CB ALA A 56 13.426 -2.351 0.348 1.00 0.00 C ATOM 0 H ALA A 56 15.492 -0.841 1.583 1.00 0.00 H new ATOM 0 HA ALA A 56 13.748 -3.105 2.323 1.00 0.00 H new ATOM 0 HB1 ALA A 56 13.109 -3.312 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.549 -1.776 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 56 13.979 -1.801 -0.414 1.00 0.00 H new ATOM 781 N THR A 57 15.253 -4.726 0.926 1.00 0.00 N ATOM 782 CA THR A 57 16.307 -5.663 0.556 1.00 0.00 C ATOM 783 C THR A 57 16.263 -5.978 -0.935 1.00 0.00 C ATOM 784 O THR A 57 15.213 -5.875 -1.569 1.00 0.00 O ATOM 785 CB THR A 57 16.195 -6.977 1.351 1.00 0.00 C ATOM 786 OG1 THR A 57 17.151 -7.926 0.865 1.00 0.00 O ATOM 787 CG2 THR A 57 14.794 -7.559 1.241 1.00 0.00 C ATOM 0 H THR A 57 14.320 -5.137 0.970 1.00 0.00 H new ATOM 0 HA THR A 57 17.256 -5.183 0.795 1.00 0.00 H new ATOM 0 HB THR A 57 16.399 -6.760 2.399 1.00 0.00 H new ATOM 0 HG1 THR A 57 17.075 -8.758 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 57 14.740 -8.487 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.072 -6.846 1.639 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.565 -7.762 0.195 1.00 0.00 H new ATOM 795 N GLU A 58 17.408 -6.364 -1.488 1.00 0.00 N ATOM 796 CA GLU A 58 17.499 -6.694 -2.905 1.00 0.00 C ATOM 797 C GLU A 58 16.407 -7.682 -3.304 1.00 0.00 C ATOM 798 O GLU A 58 16.099 -7.840 -4.485 1.00 0.00 O ATOM 799 CB GLU A 58 18.875 -7.281 -3.228 1.00 0.00 C ATOM 800 CG GLU A 58 19.181 -8.566 -2.476 1.00 0.00 C ATOM 801 CD GLU A 58 19.670 -8.313 -1.063 1.00 0.00 C ATOM 802 OE1 GLU A 58 20.346 -7.285 -0.846 1.00 0.00 O ATOM 803 OE2 GLU A 58 19.379 -9.142 -0.177 1.00 0.00 O ATOM 0 H GLU A 58 18.286 -6.456 -0.976 1.00 0.00 H new ATOM 0 HA GLU A 58 17.361 -5.775 -3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 58 18.936 -7.474 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.640 -6.541 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.284 -9.184 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.936 -9.131 -3.022 1.00 0.00 H new ATOM 810 N SER A 59 15.825 -8.346 -2.310 1.00 0.00 N ATOM 811 CA SER A 59 14.770 -9.322 -2.556 1.00 0.00 C ATOM 812 C SER A 59 13.419 -8.632 -2.719 1.00 0.00 C ATOM 813 O SER A 59 12.555 -9.100 -3.461 1.00 0.00 O ATOM 814 CB SER A 59 14.704 -10.334 -1.411 1.00 0.00 C ATOM 815 OG SER A 59 15.672 -11.356 -1.577 1.00 0.00 O ATOM 0 H SER A 59 16.067 -8.226 -1.326 1.00 0.00 H new ATOM 0 HA SER A 59 15.004 -9.847 -3.482 1.00 0.00 H new ATOM 0 HB2 SER A 59 14.868 -9.825 -0.461 1.00 0.00 H new ATOM 0 HB3 SER A 59 13.708 -10.775 -1.369 1.00 0.00 H new ATOM 0 HG SER A 59 15.610 -11.989 -0.831 1.00 0.00 H new ATOM 821 N VAL A 60 13.243 -7.516 -2.019 1.00 0.00 N ATOM 822 CA VAL A 60 11.999 -6.759 -2.085 1.00 0.00 C ATOM 823 C VAL A 60 11.900 -5.976 -3.389 1.00 0.00 C ATOM 824 O VAL A 60 10.836 -5.904 -4.003 1.00 0.00 O ATOM 825 CB VAL A 60 11.872 -5.783 -0.901 1.00 0.00 C ATOM 826 CG1 VAL A 60 10.633 -4.913 -1.056 1.00 0.00 C ATOM 827 CG2 VAL A 60 11.837 -6.544 0.416 1.00 0.00 C ATOM 0 H VAL A 60 13.947 -7.116 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 60 11.186 -7.483 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 60 12.746 -5.132 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.560 -4.230 -0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.704 -4.340 -1.980 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.746 -5.546 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.747 -5.838 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.983 -7.221 0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.756 -7.119 0.529 1.00 0.00 H new ATOM 837 N ARG A 61 13.018 -5.390 -3.806 1.00 0.00 N ATOM 838 CA ARG A 61 13.058 -4.610 -5.037 1.00 0.00 C ATOM 839 C ARG A 61 12.967 -5.519 -6.260 1.00 0.00 C ATOM 840 O ARG A 61 12.330 -5.176 -7.255 1.00 0.00 O ATOM 841 CB ARG A 61 14.342 -3.781 -5.099 1.00 0.00 C ATOM 842 CG ARG A 61 15.604 -4.620 -5.220 1.00 0.00 C ATOM 843 CD ARG A 61 16.854 -3.756 -5.170 1.00 0.00 C ATOM 844 NE ARG A 61 18.005 -4.424 -5.771 1.00 0.00 N ATOM 845 CZ ARG A 61 19.053 -3.776 -6.269 1.00 0.00 C ATOM 846 NH1 ARG A 61 19.094 -2.452 -6.238 1.00 0.00 N ATOM 847 NH2 ARG A 61 20.063 -4.455 -6.800 1.00 0.00 N ATOM 0 H ARG A 61 13.908 -5.441 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 61 12.199 -3.938 -5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.285 -3.101 -5.949 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.410 -3.165 -4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.634 -5.352 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 61 15.583 -5.178 -6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.667 -2.817 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.080 -3.506 -4.134 1.00 0.00 H new ATOM 0 HE ARG A 61 18.005 -5.443 -5.811 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.320 -1.927 -5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 61 19.900 -1.958 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 61 20.035 -5.474 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.867 -3.957 -7.182 1.00 0.00 H new ATOM 861 N ARG A 62 13.610 -6.679 -6.177 1.00 0.00 N ATOM 862 CA ARG A 62 13.604 -7.637 -7.276 1.00 0.00 C ATOM 863 C ARG A 62 12.266 -8.367 -7.354 1.00 0.00 C ATOM 864 O ARG A 62 11.812 -8.739 -8.436 1.00 0.00 O ATOM 865 CB ARG A 62 14.740 -8.647 -7.108 1.00 0.00 C ATOM 866 CG ARG A 62 14.429 -9.752 -6.111 1.00 0.00 C ATOM 867 CD ARG A 62 15.652 -10.612 -5.834 1.00 0.00 C ATOM 868 NE ARG A 62 15.325 -11.786 -5.029 1.00 0.00 N ATOM 869 CZ ARG A 62 14.693 -12.851 -5.507 1.00 0.00 C ATOM 870 NH1 ARG A 62 14.322 -12.891 -6.779 1.00 0.00 N ATOM 871 NH2 ARG A 62 14.430 -13.881 -4.712 1.00 0.00 N ATOM 0 H ARG A 62 14.142 -6.978 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 62 13.752 -7.086 -8.205 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.963 -9.095 -8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 62 15.638 -8.121 -6.786 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.073 -9.313 -5.179 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.624 -10.376 -6.498 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.092 -10.931 -6.779 1.00 0.00 H new ATOM 0 HD3 ARG A 62 16.404 -10.016 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 62 15.597 -11.788 -4.046 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.522 -12.102 -7.394 1.00 0.00 H new ATOM 0 HH12 ARG A 62 13.837 -13.711 -7.143 1.00 0.00 H new ATOM 0 HH21 ARG A 62 14.714 -13.855 -3.733 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.944 -14.699 -5.081 1.00 0.00 H new ATOM 885 N LEU A 63 11.641 -8.569 -6.199 1.00 0.00 N ATOM 886 CA LEU A 63 10.356 -9.256 -6.135 1.00 0.00 C ATOM 887 C LEU A 63 9.205 -8.278 -6.350 1.00 0.00 C ATOM 888 O LEU A 63 8.182 -8.627 -6.940 1.00 0.00 O ATOM 889 CB LEU A 63 10.197 -9.958 -4.785 1.00 0.00 C ATOM 890 CG LEU A 63 8.815 -10.542 -4.491 1.00 0.00 C ATOM 891 CD1 LEU A 63 8.473 -11.635 -5.491 1.00 0.00 C ATOM 892 CD2 LEU A 63 8.756 -11.080 -3.069 1.00 0.00 C ATOM 0 H LEU A 63 12.003 -8.267 -5.295 1.00 0.00 H new ATOM 0 HA LEU A 63 10.330 -10.001 -6.930 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.929 -10.763 -4.728 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.444 -9.247 -3.997 1.00 0.00 H new ATOM 0 HG LEU A 63 8.077 -9.746 -4.589 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.486 -12.039 -5.266 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.474 -11.219 -6.499 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.214 -12.432 -5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.765 -11.492 -2.877 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.505 -11.862 -2.945 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.956 -10.272 -2.366 1.00 0.00 H new ATOM 904 N LEU A 64 9.380 -7.051 -5.870 1.00 0.00 N ATOM 905 CA LEU A 64 8.357 -6.021 -6.011 1.00 0.00 C ATOM 906 C LEU A 64 8.935 -4.765 -6.656 1.00 0.00 C ATOM 907 O LEU A 64 10.021 -4.313 -6.293 1.00 0.00 O ATOM 908 CB LEU A 64 7.758 -5.678 -4.646 1.00 0.00 C ATOM 909 CG LEU A 64 7.259 -6.861 -3.816 1.00 0.00 C ATOM 910 CD1 LEU A 64 7.417 -6.576 -2.331 1.00 0.00 C ATOM 911 CD2 LEU A 64 5.807 -7.172 -4.150 1.00 0.00 C ATOM 0 H LEU A 64 10.221 -6.746 -5.380 1.00 0.00 H new ATOM 0 HA LEU A 64 7.571 -6.411 -6.658 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.510 -5.144 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.926 -4.991 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 64 7.863 -7.734 -4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.057 -7.429 -1.756 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.469 -6.404 -2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.839 -5.690 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.469 -8.017 -3.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.189 -6.301 -3.932 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.722 -7.421 -5.208 1.00 0.00 H new ATOM 923 N ARG A 65 8.200 -4.205 -7.611 1.00 0.00 N ATOM 924 CA ARG A 65 8.639 -3.000 -8.305 1.00 0.00 C ATOM 925 C ARG A 65 7.842 -1.785 -7.842 1.00 0.00 C ATOM 926 O ARG A 65 6.610 -1.786 -7.877 1.00 0.00 O ATOM 927 CB ARG A 65 8.491 -3.174 -9.818 1.00 0.00 C ATOM 928 CG ARG A 65 9.095 -2.036 -10.624 1.00 0.00 C ATOM 929 CD ARG A 65 10.613 -2.043 -10.546 1.00 0.00 C ATOM 930 NE ARG A 65 11.213 -2.844 -11.610 1.00 0.00 N ATOM 931 CZ ARG A 65 11.293 -2.445 -12.874 1.00 0.00 C ATOM 932 NH1 ARG A 65 10.814 -1.260 -13.230 1.00 0.00 N ATOM 933 NH2 ARG A 65 11.853 -3.230 -13.785 1.00 0.00 N ATOM 0 H ARG A 65 7.298 -4.566 -7.922 1.00 0.00 H new ATOM 0 HA ARG A 65 9.690 -2.836 -8.066 1.00 0.00 H new ATOM 0 HB2 ARG A 65 8.964 -4.110 -10.116 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.432 -3.260 -10.063 1.00 0.00 H new ATOM 0 HG2 ARG A 65 8.783 -2.120 -11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 65 8.715 -1.084 -10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.984 -1.020 -10.610 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.924 -2.435 -9.578 1.00 0.00 H new ATOM 0 HE ARG A 65 11.591 -3.760 -11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.383 -0.653 -12.532 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.877 -0.956 -14.201 1.00 0.00 H new ATOM 0 HH21 ARG A 65 12.223 -4.141 -13.515 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.914 -2.922 -14.756 1.00 0.00 H new ATOM 947 N LEU A 66 8.551 -0.749 -7.407 1.00 0.00 N ATOM 948 CA LEU A 66 7.910 0.474 -6.936 1.00 0.00 C ATOM 949 C LEU A 66 8.287 1.661 -7.817 1.00 0.00 C ATOM 950 O LEU A 66 9.366 1.689 -8.409 1.00 0.00 O ATOM 951 CB LEU A 66 8.306 0.755 -5.485 1.00 0.00 C ATOM 952 CG LEU A 66 7.969 2.149 -4.955 1.00 0.00 C ATOM 953 CD1 LEU A 66 6.463 2.358 -4.924 1.00 0.00 C ATOM 954 CD2 LEU A 66 8.566 2.351 -3.570 1.00 0.00 C ATOM 0 H LEU A 66 9.570 -0.731 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 66 6.831 0.333 -6.991 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.818 0.018 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 66 9.380 0.601 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 66 8.404 2.888 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.242 3.355 -4.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.061 2.256 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.006 1.612 -4.274 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.316 3.348 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.160 1.605 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.650 2.245 -3.622 1.00 0.00 H new ATOM 966 N ASP A 67 7.392 2.639 -7.897 1.00 0.00 N ATOM 967 CA ASP A 67 7.631 3.830 -8.703 1.00 0.00 C ATOM 968 C ASP A 67 7.662 5.080 -7.829 1.00 0.00 C ATOM 969 O ASP A 67 7.220 5.057 -6.681 1.00 0.00 O ATOM 970 CB ASP A 67 6.552 3.971 -9.778 1.00 0.00 C ATOM 971 CG ASP A 67 6.769 3.025 -10.943 1.00 0.00 C ATOM 972 OD1 ASP A 67 7.148 1.860 -10.699 1.00 0.00 O ATOM 973 OD2 ASP A 67 6.561 3.450 -12.099 1.00 0.00 O ATOM 0 H ASP A 67 6.494 2.630 -7.413 1.00 0.00 H new ATOM 0 HA ASP A 67 8.602 3.722 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.575 3.779 -9.335 1.00 0.00 H new ATOM 0 HB3 ASP A 67 6.540 4.997 -10.144 1.00 0.00 H new ATOM 978 N GLU A 68 8.186 6.170 -8.381 1.00 0.00 N ATOM 979 CA GLU A 68 8.276 7.429 -7.650 1.00 0.00 C ATOM 980 C GLU A 68 7.571 8.550 -8.409 1.00 0.00 C ATOM 981 O GLU A 68 6.961 9.434 -7.808 1.00 0.00 O ATOM 982 CB GLU A 68 9.740 7.802 -7.411 1.00 0.00 C ATOM 983 CG GLU A 68 10.348 8.631 -8.530 1.00 0.00 C ATOM 984 CD GLU A 68 10.414 7.877 -9.844 1.00 0.00 C ATOM 985 OE1 GLU A 68 10.604 6.643 -9.812 1.00 0.00 O ATOM 986 OE2 GLU A 68 10.275 8.521 -10.905 1.00 0.00 O ATOM 0 H GLU A 68 8.554 6.207 -9.331 1.00 0.00 H new ATOM 0 HA GLU A 68 7.781 7.297 -6.688 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.817 8.357 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.323 6.889 -7.288 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.760 9.539 -8.665 1.00 0.00 H new ATOM 0 HG3 GLU A 68 11.353 8.942 -8.243 1.00 0.00 H new ATOM 993 N THR A 69 7.661 8.506 -9.735 1.00 0.00 N ATOM 994 CA THR A 69 7.035 9.518 -10.577 1.00 0.00 C ATOM 995 C THR A 69 5.524 9.544 -10.373 1.00 0.00 C ATOM 996 O THR A 69 4.905 10.608 -10.386 1.00 0.00 O ATOM 997 CB THR A 69 7.336 9.273 -12.068 1.00 0.00 C ATOM 998 OG1 THR A 69 6.747 10.308 -12.863 1.00 0.00 O ATOM 999 CG2 THR A 69 6.804 7.919 -12.512 1.00 0.00 C ATOM 0 H THR A 69 8.161 7.780 -10.249 1.00 0.00 H new ATOM 0 HA THR A 69 7.456 10.479 -10.282 1.00 0.00 H new ATOM 0 HB THR A 69 8.417 9.282 -12.204 1.00 0.00 H new ATOM 0 HG1 THR A 69 6.944 10.146 -13.809 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.028 7.768 -13.568 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.277 7.132 -11.925 1.00 0.00 H new ATOM 0 HG23 THR A 69 5.725 7.885 -12.362 1.00 0.00 H new ATOM 1007 N SER A 70 4.937 8.367 -10.185 1.00 0.00 N ATOM 1008 CA SER A 70 3.497 8.255 -9.982 1.00 0.00 C ATOM 1009 C SER A 70 3.182 7.830 -8.550 1.00 0.00 C ATOM 1010 O SER A 70 2.263 8.355 -7.923 1.00 0.00 O ATOM 1011 CB SER A 70 2.898 7.250 -10.967 1.00 0.00 C ATOM 1012 OG SER A 70 3.352 5.935 -10.695 1.00 0.00 O ATOM 0 H SER A 70 5.436 7.477 -10.169 1.00 0.00 H new ATOM 0 HA SER A 70 3.053 9.235 -10.159 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.810 7.282 -10.907 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.170 7.528 -11.985 1.00 0.00 H new ATOM 0 HG SER A 70 2.953 5.312 -11.338 1.00 0.00 H new ATOM 1018 N GLY A 71 3.953 6.874 -8.040 1.00 0.00 N ATOM 1019 CA GLY A 71 3.741 6.394 -6.687 1.00 0.00 C ATOM 1020 C GLY A 71 2.914 5.124 -6.646 1.00 0.00 C ATOM 1021 O GLY A 71 2.120 4.922 -5.727 1.00 0.00 O ATOM 0 H GLY A 71 4.720 6.424 -8.539 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.706 6.211 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.242 7.168 -6.104 1.00 0.00 H new ATOM 1025 N TRP A 72 3.100 4.266 -7.643 1.00 0.00 N ATOM 1026 CA TRP A 72 2.364 3.010 -7.717 1.00 0.00 C ATOM 1027 C TRP A 72 3.277 1.825 -7.421 1.00 0.00 C ATOM 1028 O TRP A 72 4.463 1.845 -7.752 1.00 0.00 O ATOM 1029 CB TRP A 72 1.729 2.847 -9.099 1.00 0.00 C ATOM 1030 CG TRP A 72 0.317 3.345 -9.167 1.00 0.00 C ATOM 1031 CD1 TRP A 72 -0.095 4.591 -9.546 1.00 0.00 C ATOM 1032 CD2 TRP A 72 -0.868 2.609 -8.844 1.00 0.00 C ATOM 1033 NE1 TRP A 72 -1.466 4.673 -9.478 1.00 0.00 N ATOM 1034 CE2 TRP A 72 -1.963 3.470 -9.052 1.00 0.00 C ATOM 1035 CE3 TRP A 72 -1.110 1.305 -8.403 1.00 0.00 C ATOM 1036 CZ2 TRP A 72 -3.278 3.068 -8.831 1.00 0.00 C ATOM 1037 CZ3 TRP A 72 -2.416 0.908 -8.184 1.00 0.00 C ATOM 1038 CH2 TRP A 72 -3.486 1.787 -8.399 1.00 0.00 C ATOM 0 H TRP A 72 3.754 4.418 -8.411 1.00 0.00 H new ATOM 0 HA TRP A 72 1.577 3.035 -6.964 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.331 3.383 -9.833 1.00 0.00 H new ATOM 0 HB3 TRP A 72 1.749 1.793 -9.378 1.00 0.00 H new ATOM 0 HD1 TRP A 72 0.559 5.393 -9.854 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -2.023 5.496 -9.708 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -0.292 0.620 -8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -4.104 3.744 -8.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -2.615 -0.097 -7.841 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -4.495 1.446 -8.220 1.00 0.00 H new ATOM 1049 N LEU A 73 2.718 0.794 -6.797 1.00 0.00 N ATOM 1050 CA LEU A 73 3.483 -0.400 -6.456 1.00 0.00 C ATOM 1051 C LEU A 73 2.813 -1.653 -7.012 1.00 0.00 C ATOM 1052 O LEU A 73 1.600 -1.826 -6.891 1.00 0.00 O ATOM 1053 CB LEU A 73 3.633 -0.519 -4.939 1.00 0.00 C ATOM 1054 CG LEU A 73 4.917 -1.183 -4.441 1.00 0.00 C ATOM 1055 CD1 LEU A 73 5.181 -0.813 -2.989 1.00 0.00 C ATOM 1056 CD2 LEU A 73 4.834 -2.693 -4.602 1.00 0.00 C ATOM 0 H LEU A 73 1.738 0.761 -6.517 1.00 0.00 H new ATOM 0 HA LEU A 73 4.472 -0.308 -6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.574 0.481 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.783 -1.082 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 73 5.749 -0.819 -5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.099 -1.295 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 73 5.286 0.268 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.348 -1.147 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.757 -3.149 -4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.992 -3.075 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 73 4.694 -2.940 -5.654 1.00 0.00 H new ATOM 1068 N SER A 74 3.611 -2.525 -7.620 1.00 0.00 N ATOM 1069 CA SER A 74 3.095 -3.761 -8.196 1.00 0.00 C ATOM 1070 C SER A 74 4.131 -4.877 -8.104 1.00 0.00 C ATOM 1071 O SER A 74 5.285 -4.641 -7.746 1.00 0.00 O ATOM 1072 CB SER A 74 2.694 -3.540 -9.656 1.00 0.00 C ATOM 1073 OG SER A 74 3.836 -3.384 -10.480 1.00 0.00 O ATOM 0 H SER A 74 4.617 -2.398 -7.726 1.00 0.00 H new ATOM 0 HA SER A 74 2.215 -4.059 -7.626 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.102 -4.386 -10.006 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.062 -2.655 -9.733 1.00 0.00 H new ATOM 0 HG SER A 74 3.553 -3.246 -11.408 1.00 0.00 H new ATOM 1079 N VAL A 75 3.711 -6.095 -8.431 1.00 0.00 N ATOM 1080 CA VAL A 75 4.601 -7.249 -8.388 1.00 0.00 C ATOM 1081 C VAL A 75 5.576 -7.235 -9.560 1.00 0.00 C ATOM 1082 O VAL A 75 5.255 -6.744 -10.643 1.00 0.00 O ATOM 1083 CB VAL A 75 3.809 -8.570 -8.407 1.00 0.00 C ATOM 1084 CG1 VAL A 75 4.740 -9.754 -8.195 1.00 0.00 C ATOM 1085 CG2 VAL A 75 2.712 -8.548 -7.354 1.00 0.00 C ATOM 0 H VAL A 75 2.759 -6.308 -8.729 1.00 0.00 H new ATOM 0 HA VAL A 75 5.160 -7.183 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 75 3.340 -8.678 -9.385 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.163 -10.678 -8.212 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.485 -9.778 -8.990 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.240 -9.656 -7.231 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.162 -9.489 -7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.157 -8.416 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.029 -7.723 -7.557 1.00 0.00 H new ATOM 1095 N LEU A 76 6.767 -7.779 -9.337 1.00 0.00 N ATOM 1096 CA LEU A 76 7.791 -7.830 -10.375 1.00 0.00 C ATOM 1097 C LEU A 76 8.128 -9.274 -10.736 1.00 0.00 C ATOM 1098 O LEU A 76 8.293 -9.609 -11.909 1.00 0.00 O ATOM 1099 CB LEU A 76 9.052 -7.100 -9.913 1.00 0.00 C ATOM 1100 CG LEU A 76 10.110 -6.840 -10.986 1.00 0.00 C ATOM 1101 CD1 LEU A 76 9.646 -5.748 -11.938 1.00 0.00 C ATOM 1102 CD2 LEU A 76 11.438 -6.464 -10.347 1.00 0.00 C ATOM 0 H LEU A 76 7.048 -8.191 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 76 7.398 -7.335 -11.263 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.756 -6.143 -9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.511 -7.680 -9.112 1.00 0.00 H new ATOM 0 HG LEU A 76 10.253 -7.757 -11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.411 -5.576 -12.695 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.720 -6.057 -12.422 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.474 -4.828 -11.380 1.00 0.00 H new ATOM 0 HD21 LEU A 76 12.178 -6.283 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.312 -5.561 -9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.777 -7.278 -9.707 1.00 0.00 H new ATOM 1114 N HIS A 77 8.228 -10.124 -9.719 1.00 0.00 N ATOM 1115 CA HIS A 77 8.543 -11.533 -9.929 1.00 0.00 C ATOM 1116 C HIS A 77 7.458 -12.427 -9.336 1.00 0.00 C ATOM 1117 O HIS A 77 6.676 -11.992 -8.490 1.00 0.00 O ATOM 1118 CB HIS A 77 9.897 -11.873 -9.306 1.00 0.00 C ATOM 1119 CG HIS A 77 11.059 -11.587 -10.206 1.00 0.00 C ATOM 1120 ND1 HIS A 77 11.021 -11.781 -11.571 1.00 0.00 N ATOM 1121 CD2 HIS A 77 12.298 -11.115 -9.930 1.00 0.00 C ATOM 1122 CE1 HIS A 77 12.185 -11.444 -12.095 1.00 0.00 C ATOM 1123 NE2 HIS A 77 12.978 -11.036 -11.120 1.00 0.00 N ATOM 0 H HIS A 77 8.096 -9.862 -8.742 1.00 0.00 H new ATOM 0 HA HIS A 77 8.590 -11.713 -11.003 1.00 0.00 H new ATOM 0 HB2 HIS A 77 10.015 -11.306 -8.382 1.00 0.00 H new ATOM 0 HB3 HIS A 77 9.909 -12.929 -9.036 1.00 0.00 H new ATOM 0 HD2 HIS A 77 12.680 -10.850 -8.955 1.00 0.00 H new ATOM 0 HE1 HIS A 77 12.445 -11.493 -13.142 1.00 0.00 H new ATOM 0 HE2 HIS A 77 13.939 -10.715 -11.233 1.00 0.00 H new ATOM 1132 N ARG A 78 7.416 -13.676 -9.786 1.00 0.00 N ATOM 1133 CA ARG A 78 6.425 -14.630 -9.301 1.00 0.00 C ATOM 1134 C ARG A 78 6.539 -14.811 -7.791 1.00 0.00 C ATOM 1135 O ARG A 78 7.633 -15.006 -7.259 1.00 0.00 O ATOM 1136 CB ARG A 78 6.599 -15.979 -10.002 1.00 0.00 C ATOM 1137 CG ARG A 78 6.323 -15.929 -11.496 1.00 0.00 C ATOM 1138 CD ARG A 78 7.547 -15.472 -12.274 1.00 0.00 C ATOM 1139 NE ARG A 78 7.563 -16.006 -13.633 1.00 0.00 N ATOM 1140 CZ ARG A 78 8.066 -17.194 -13.950 1.00 0.00 C ATOM 1141 NH1 ARG A 78 8.591 -17.968 -13.010 1.00 0.00 N ATOM 1142 NH2 ARG A 78 8.043 -17.610 -15.210 1.00 0.00 N ATOM 0 H ARG A 78 8.056 -14.052 -10.486 1.00 0.00 H new ATOM 0 HA ARG A 78 5.435 -14.235 -9.529 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.617 -16.334 -9.841 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.931 -16.707 -9.542 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.017 -16.916 -11.844 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.492 -15.251 -11.691 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.566 -14.383 -12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.449 -15.788 -11.750 1.00 0.00 H new ATOM 0 HE ARG A 78 7.166 -15.436 -14.380 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.609 -17.652 -12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.976 -18.880 -13.256 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.639 -17.018 -15.935 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.429 -18.522 -15.453 1.00 0.00 H new ATOM 1156 N ILE A 79 5.403 -14.745 -7.105 1.00 0.00 N ATOM 1157 CA ILE A 79 5.375 -14.902 -5.656 1.00 0.00 C ATOM 1158 C ILE A 79 4.850 -16.278 -5.262 1.00 0.00 C ATOM 1159 O ILE A 79 3.900 -16.785 -5.859 1.00 0.00 O ATOM 1160 CB ILE A 79 4.503 -13.822 -4.989 1.00 0.00 C ATOM 1161 CG1 ILE A 79 4.983 -12.426 -5.392 1.00 0.00 C ATOM 1162 CG2 ILE A 79 4.528 -13.980 -3.476 1.00 0.00 C ATOM 1163 CD1 ILE A 79 3.876 -11.397 -5.441 1.00 0.00 C ATOM 0 H ILE A 79 4.490 -14.584 -7.529 1.00 0.00 H new ATOM 0 HA ILE A 79 6.402 -14.794 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 79 3.475 -13.945 -5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.745 -12.095 -4.686 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.459 -12.483 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.907 -13.209 -3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.143 -14.963 -3.206 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.552 -13.881 -3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.289 -10.432 -5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.125 -11.705 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.415 -11.311 -4.457 1.00 0.00 H new ATOM 1175 N ASP A 80 5.473 -16.876 -4.253 1.00 0.00 N ATOM 1176 CA ASP A 80 5.067 -18.194 -3.777 1.00 0.00 C ATOM 1177 C ASP A 80 4.982 -18.218 -2.254 1.00 0.00 C ATOM 1178 O ASP A 80 6.002 -18.197 -1.565 1.00 0.00 O ATOM 1179 CB ASP A 80 6.049 -19.260 -4.262 1.00 0.00 C ATOM 1180 CG ASP A 80 5.431 -20.644 -4.296 1.00 0.00 C ATOM 1181 OD1 ASP A 80 4.317 -20.783 -4.842 1.00 0.00 O ATOM 1182 OD2 ASP A 80 6.062 -21.589 -3.775 1.00 0.00 O ATOM 0 H ASP A 80 6.261 -16.470 -3.749 1.00 0.00 H new ATOM 0 HA ASP A 80 4.079 -18.411 -4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.402 -18.998 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.921 -19.271 -3.608 1.00 0.00 H new ATOM 1187 N ARG A 81 3.759 -18.262 -1.735 1.00 0.00 N ATOM 1188 CA ARG A 81 3.541 -18.287 -0.294 1.00 0.00 C ATOM 1189 C ARG A 81 4.553 -19.199 0.393 1.00 0.00 C ATOM 1190 O ARG A 81 4.975 -18.937 1.519 1.00 0.00 O ATOM 1191 CB ARG A 81 2.119 -18.756 0.020 1.00 0.00 C ATOM 1192 CG ARG A 81 1.712 -18.539 1.469 1.00 0.00 C ATOM 1193 CD ARG A 81 2.123 -19.712 2.345 1.00 0.00 C ATOM 1194 NE ARG A 81 1.365 -19.754 3.593 1.00 0.00 N ATOM 1195 CZ ARG A 81 1.172 -20.863 4.298 1.00 0.00 C ATOM 1196 NH1 ARG A 81 1.679 -22.015 3.880 1.00 0.00 N ATOM 1197 NH2 ARG A 81 0.471 -20.821 5.424 1.00 0.00 N ATOM 0 H ARG A 81 2.904 -18.281 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 81 3.674 -17.274 0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.420 -18.228 -0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.034 -19.816 -0.217 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.172 -17.625 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 81 0.632 -18.400 1.528 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.973 -20.643 1.798 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.187 -19.642 2.569 1.00 0.00 H new ATOM 0 HE ARG A 81 0.962 -18.884 3.942 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.219 -22.051 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.529 -22.865 4.423 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.080 -19.937 5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.323 -21.673 5.965 1.00 0.00 H new ATOM 1211 N GLU A 82 4.937 -20.271 -0.293 1.00 0.00 N ATOM 1212 CA GLU A 82 5.898 -21.222 0.253 1.00 0.00 C ATOM 1213 C GLU A 82 7.234 -20.542 0.542 1.00 0.00 C ATOM 1214 O GLU A 82 7.670 -20.472 1.690 1.00 0.00 O ATOM 1215 CB GLU A 82 6.106 -22.386 -0.719 1.00 0.00 C ATOM 1216 CG GLU A 82 6.483 -23.689 -0.036 1.00 0.00 C ATOM 1217 CD GLU A 82 7.199 -24.650 -0.966 1.00 0.00 C ATOM 1218 OE1 GLU A 82 8.018 -24.184 -1.784 1.00 0.00 O ATOM 1219 OE2 GLU A 82 6.939 -25.868 -0.874 1.00 0.00 O ATOM 0 H GLU A 82 4.598 -20.502 -1.227 1.00 0.00 H new ATOM 0 HA GLU A 82 5.496 -21.607 1.190 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.191 -22.537 -1.292 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.888 -22.119 -1.430 1.00 0.00 H new ATOM 0 HG2 GLU A 82 7.122 -23.474 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.582 -24.166 0.350 1.00 0.00 H new ATOM 1226 N GLU A 83 7.876 -20.042 -0.509 1.00 0.00 N ATOM 1227 CA GLU A 83 9.162 -19.369 -0.369 1.00 0.00 C ATOM 1228 C GLU A 83 9.063 -18.208 0.617 1.00 0.00 C ATOM 1229 O GLU A 83 9.994 -17.945 1.379 1.00 0.00 O ATOM 1230 CB GLU A 83 9.646 -18.858 -1.727 1.00 0.00 C ATOM 1231 CG GLU A 83 8.958 -17.581 -2.179 1.00 0.00 C ATOM 1232 CD GLU A 83 9.698 -16.886 -3.304 1.00 0.00 C ATOM 1233 OE1 GLU A 83 9.819 -17.484 -4.394 1.00 0.00 O ATOM 1234 OE2 GLU A 83 10.158 -15.743 -3.096 1.00 0.00 O ATOM 0 H GLU A 83 7.527 -20.090 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 83 9.881 -20.092 0.017 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.721 -18.683 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.483 -19.633 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.945 -17.815 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.871 -16.901 -1.332 1.00 0.00 H new ATOM 1241 N VAL A 84 7.928 -17.517 0.596 1.00 0.00 N ATOM 1242 CA VAL A 84 7.706 -16.384 1.488 1.00 0.00 C ATOM 1243 C VAL A 84 6.292 -16.403 2.058 1.00 0.00 C ATOM 1244 O VAL A 84 5.319 -16.579 1.327 1.00 0.00 O ATOM 1245 CB VAL A 84 7.938 -15.045 0.763 1.00 0.00 C ATOM 1246 CG1 VAL A 84 9.413 -14.861 0.440 1.00 0.00 C ATOM 1247 CG2 VAL A 84 7.093 -14.971 -0.500 1.00 0.00 C ATOM 0 H VAL A 84 7.148 -17.721 -0.029 1.00 0.00 H new ATOM 0 HA VAL A 84 8.424 -16.476 2.303 1.00 0.00 H new ATOM 0 HB VAL A 84 7.633 -14.235 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.557 -13.910 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.991 -14.867 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 84 9.749 -15.674 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.269 -14.019 -1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.366 -15.788 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.038 -15.054 -0.237 1.00 0.00 H new ATOM 1257 N ASN A 85 6.187 -16.220 3.370 1.00 0.00 N ATOM 1258 CA ASN A 85 4.892 -16.215 4.040 1.00 0.00 C ATOM 1259 C ASN A 85 4.387 -14.789 4.239 1.00 0.00 C ATOM 1260 O ASN A 85 3.195 -14.517 4.096 1.00 0.00 O ATOM 1261 CB ASN A 85 4.990 -16.926 5.391 1.00 0.00 C ATOM 1262 CG ASN A 85 6.173 -16.448 6.211 1.00 0.00 C ATOM 1263 OD1 ASN A 85 6.148 -15.356 6.779 1.00 0.00 O ATOM 1264 ND2 ASN A 85 7.217 -17.266 6.277 1.00 0.00 N ATOM 0 H ASN A 85 6.983 -16.073 3.990 1.00 0.00 H new ATOM 0 HA ASN A 85 4.182 -16.748 3.407 1.00 0.00 H new ATOM 0 HB2 ASN A 85 4.071 -16.760 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.075 -18.000 5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.042 -16.998 6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.194 -18.162 5.790 1.00 0.00 H new ATOM 1271 N GLN A 86 5.302 -13.884 4.568 1.00 0.00 N ATOM 1272 CA GLN A 86 4.949 -12.486 4.787 1.00 0.00 C ATOM 1273 C GLN A 86 6.125 -11.571 4.460 1.00 0.00 C ATOM 1274 O GLN A 86 7.236 -11.770 4.953 1.00 0.00 O ATOM 1275 CB GLN A 86 4.506 -12.270 6.235 1.00 0.00 C ATOM 1276 CG GLN A 86 4.096 -10.838 6.538 1.00 0.00 C ATOM 1277 CD GLN A 86 3.587 -10.665 7.956 1.00 0.00 C ATOM 1278 OE1 GLN A 86 4.370 -10.568 8.901 1.00 0.00 O ATOM 1279 NE2 GLN A 86 2.269 -10.625 8.111 1.00 0.00 N ATOM 0 H GLN A 86 6.293 -14.093 4.689 1.00 0.00 H new ATOM 0 HA GLN A 86 4.122 -12.237 4.122 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.669 -12.933 6.453 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.320 -12.555 6.902 1.00 0.00 H new ATOM 0 HG2 GLN A 86 4.949 -10.178 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 86 3.320 -10.530 5.837 1.00 0.00 H new ATOM 0 HE21 GLN A 86 1.657 -10.709 7.299 1.00 0.00 H new ATOM 0 HE22 GLN A 86 1.868 -10.510 9.042 1.00 0.00 H new ATOM 1288 N LEU A 87 5.873 -10.567 3.627 1.00 0.00 N ATOM 1289 CA LEU A 87 6.910 -9.620 3.234 1.00 0.00 C ATOM 1290 C LEU A 87 6.785 -8.318 4.019 1.00 0.00 C ATOM 1291 O LEU A 87 5.681 -7.871 4.326 1.00 0.00 O ATOM 1292 CB LEU A 87 6.825 -9.334 1.734 1.00 0.00 C ATOM 1293 CG LEU A 87 6.952 -10.546 0.811 1.00 0.00 C ATOM 1294 CD1 LEU A 87 6.288 -10.269 -0.529 1.00 0.00 C ATOM 1295 CD2 LEU A 87 8.415 -10.918 0.616 1.00 0.00 C ATOM 0 H LEU A 87 4.959 -10.388 3.211 1.00 0.00 H new ATOM 0 HA LEU A 87 7.879 -10.066 3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.872 -8.846 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.609 -8.622 1.475 1.00 0.00 H new ATOM 0 HG LEU A 87 6.443 -11.389 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.389 -11.143 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.231 -10.053 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.768 -9.413 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 87 8.486 -11.783 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.948 -10.078 0.171 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.861 -11.160 1.581 1.00 0.00 H new ATOM 1307 N ARG A 88 7.925 -7.715 4.339 1.00 0.00 N ATOM 1308 CA ARG A 88 7.944 -6.464 5.088 1.00 0.00 C ATOM 1309 C ARG A 88 9.085 -5.566 4.619 1.00 0.00 C ATOM 1310 O ARG A 88 10.257 -5.930 4.719 1.00 0.00 O ATOM 1311 CB ARG A 88 8.083 -6.743 6.586 1.00 0.00 C ATOM 1312 CG ARG A 88 7.428 -5.691 7.465 1.00 0.00 C ATOM 1313 CD ARG A 88 8.091 -5.615 8.832 1.00 0.00 C ATOM 1314 NE ARG A 88 9.310 -4.813 8.804 1.00 0.00 N ATOM 1315 CZ ARG A 88 9.968 -4.438 9.896 1.00 0.00 C ATOM 1316 NH1 ARG A 88 9.526 -4.793 11.095 1.00 0.00 N ATOM 1317 NH2 ARG A 88 11.071 -3.708 9.790 1.00 0.00 N ATOM 0 H ARG A 88 8.848 -8.072 4.091 1.00 0.00 H new ATOM 0 HA ARG A 88 7.001 -5.948 4.908 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.643 -7.715 6.808 1.00 0.00 H new ATOM 0 HB3 ARG A 88 9.141 -6.807 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.487 -4.719 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.370 -5.923 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.392 -5.187 9.551 1.00 0.00 H new ATOM 0 HD3 ARG A 88 8.327 -6.622 9.177 1.00 0.00 H new ATOM 0 HE ARG A 88 9.677 -4.525 7.897 1.00 0.00 H new ATOM 0 HH11 ARG A 88 8.679 -5.355 11.181 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.033 -4.504 11.932 1.00 0.00 H new ATOM 0 HH21 ARG A 88 11.415 -3.434 8.870 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.575 -3.421 10.629 1.00 0.00 H new ATOM 1331 N PHE A 89 8.733 -4.392 4.105 1.00 0.00 N ATOM 1332 CA PHE A 89 9.727 -3.442 3.618 1.00 0.00 C ATOM 1333 C PHE A 89 9.356 -2.016 4.014 1.00 0.00 C ATOM 1334 O PHE A 89 8.307 -1.778 4.613 1.00 0.00 O ATOM 1335 CB PHE A 89 9.859 -3.544 2.097 1.00 0.00 C ATOM 1336 CG PHE A 89 8.545 -3.452 1.375 1.00 0.00 C ATOM 1337 CD1 PHE A 89 7.739 -4.569 1.231 1.00 0.00 C ATOM 1338 CD2 PHE A 89 8.117 -2.248 0.839 1.00 0.00 C ATOM 1339 CE1 PHE A 89 6.530 -4.487 0.566 1.00 0.00 C ATOM 1340 CE2 PHE A 89 6.909 -2.159 0.174 1.00 0.00 C ATOM 1341 CZ PHE A 89 6.114 -3.281 0.038 1.00 0.00 C ATOM 0 H PHE A 89 7.767 -4.076 4.015 1.00 0.00 H new ATOM 0 HA PHE A 89 10.685 -3.690 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 89 10.516 -2.749 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 89 10.338 -4.490 1.844 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.059 -5.515 1.643 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.735 -1.368 0.942 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.911 -5.366 0.459 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.587 -1.214 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.169 -3.215 -0.480 1.00 0.00 H new ATOM 1351 N THR A 90 10.226 -1.069 3.675 1.00 0.00 N ATOM 1352 CA THR A 90 9.992 0.333 3.996 1.00 0.00 C ATOM 1353 C THR A 90 10.049 1.200 2.744 1.00 0.00 C ATOM 1354 O THR A 90 10.681 0.836 1.752 1.00 0.00 O ATOM 1355 CB THR A 90 11.023 0.856 5.015 1.00 0.00 C ATOM 1356 OG1 THR A 90 11.106 -0.039 6.130 1.00 0.00 O ATOM 1357 CG2 THR A 90 10.645 2.247 5.502 1.00 0.00 C ATOM 0 H THR A 90 11.099 -1.248 3.178 1.00 0.00 H new ATOM 0 HA THR A 90 8.996 0.395 4.433 1.00 0.00 H new ATOM 0 HB THR A 90 11.993 0.913 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.764 0.299 6.772 1.00 0.00 H new ATOM 0 HG21 THR A 90 11.387 2.595 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 90 10.610 2.932 4.655 1.00 0.00 H new ATOM 0 HG23 THR A 90 9.666 2.212 5.980 1.00 0.00 H new ATOM 1365 N VAL A 91 9.384 2.350 2.795 1.00 0.00 N ATOM 1366 CA VAL A 91 9.359 3.271 1.665 1.00 0.00 C ATOM 1367 C VAL A 91 9.495 4.716 2.130 1.00 0.00 C ATOM 1368 O VAL A 91 8.842 5.135 3.086 1.00 0.00 O ATOM 1369 CB VAL A 91 8.061 3.125 0.850 1.00 0.00 C ATOM 1370 CG1 VAL A 91 8.012 1.770 0.160 1.00 0.00 C ATOM 1371 CG2 VAL A 91 6.846 3.321 1.745 1.00 0.00 C ATOM 0 H VAL A 91 8.855 2.666 3.608 1.00 0.00 H new ATOM 0 HA VAL A 91 10.208 3.016 1.030 1.00 0.00 H new ATOM 0 HB VAL A 91 8.047 3.897 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 91 7.087 1.686 -0.411 1.00 0.00 H new ATOM 0 HG12 VAL A 91 8.864 1.673 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 91 8.049 0.979 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.937 3.215 1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 91 6.853 2.572 2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.877 4.317 2.187 1.00 0.00 H new ATOM 1381 N MET A 92 10.346 5.474 1.448 1.00 0.00 N ATOM 1382 CA MET A 92 10.566 6.875 1.790 1.00 0.00 C ATOM 1383 C MET A 92 9.796 7.793 0.847 1.00 0.00 C ATOM 1384 O MET A 92 9.483 7.416 -0.282 1.00 0.00 O ATOM 1385 CB MET A 92 12.059 7.206 1.738 1.00 0.00 C ATOM 1386 CG MET A 92 12.765 7.043 3.075 1.00 0.00 C ATOM 1387 SD MET A 92 14.301 7.982 3.168 1.00 0.00 S ATOM 1388 CE MET A 92 15.090 7.494 1.636 1.00 0.00 C ATOM 0 H MET A 92 10.895 5.142 0.655 1.00 0.00 H new ATOM 0 HA MET A 92 10.200 7.037 2.804 1.00 0.00 H new ATOM 0 HB2 MET A 92 12.540 6.562 1.002 1.00 0.00 H new ATOM 0 HB3 MET A 92 12.183 8.233 1.394 1.00 0.00 H new ATOM 0 HG2 MET A 92 12.098 7.364 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 92 12.978 5.987 3.243 1.00 0.00 H new ATOM 0 HE1 MET A 92 16.055 7.994 1.548 1.00 0.00 H new ATOM 0 HE2 MET A 92 15.239 6.414 1.631 1.00 0.00 H new ATOM 0 HE3 MET A 92 14.457 7.776 0.795 1.00 0.00 H new ATOM 1398 N ALA A 93 9.494 8.999 1.317 1.00 0.00 N ATOM 1399 CA ALA A 93 8.762 9.970 0.514 1.00 0.00 C ATOM 1400 C ALA A 93 9.417 11.346 0.585 1.00 0.00 C ATOM 1401 O ALA A 93 9.320 12.039 1.598 1.00 0.00 O ATOM 1402 CB ALA A 93 7.314 10.049 0.971 1.00 0.00 C ATOM 0 H ALA A 93 9.745 9.327 2.250 1.00 0.00 H new ATOM 0 HA ALA A 93 8.786 9.638 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.780 10.778 0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.844 9.071 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.279 10.354 2.017 1.00 0.00 H new ATOM 1408 N ARG A 94 10.085 11.734 -0.496 1.00 0.00 N ATOM 1409 CA ARG A 94 10.758 13.026 -0.555 1.00 0.00 C ATOM 1410 C ARG A 94 9.843 14.089 -1.157 1.00 0.00 C ATOM 1411 O ARG A 94 8.954 13.780 -1.951 1.00 0.00 O ATOM 1412 CB ARG A 94 12.043 12.919 -1.378 1.00 0.00 C ATOM 1413 CG ARG A 94 12.884 11.699 -1.039 1.00 0.00 C ATOM 1414 CD ARG A 94 14.283 11.806 -1.625 1.00 0.00 C ATOM 1415 NE ARG A 94 14.302 11.503 -3.054 1.00 0.00 N ATOM 1416 CZ ARG A 94 15.357 11.711 -3.835 1.00 0.00 C ATOM 1417 NH1 ARG A 94 16.471 12.220 -3.328 1.00 0.00 N ATOM 1418 NH2 ARG A 94 15.297 11.409 -5.126 1.00 0.00 N ATOM 0 H ARG A 94 10.175 11.172 -1.343 1.00 0.00 H new ATOM 0 HA ARG A 94 11.010 13.322 0.463 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.785 12.889 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.641 13.817 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 94 12.949 11.590 0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 94 12.396 10.802 -1.421 1.00 0.00 H new ATOM 0 HD2 ARG A 94 14.668 12.813 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.949 11.121 -1.100 1.00 0.00 H new ATOM 0 HE ARG A 94 13.460 11.111 -3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 94 16.520 12.453 -2.336 1.00 0.00 H new ATOM 0 HH12 ARG A 94 17.279 12.379 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 94 14.441 11.017 -5.519 1.00 0.00 H new ATOM 0 HH22 ARG A 94 16.107 11.569 -5.725 1.00 0.00 H new ATOM 1432 N ASP A 95 10.067 15.341 -0.773 1.00 0.00 N ATOM 1433 CA ASP A 95 9.263 16.450 -1.274 1.00 0.00 C ATOM 1434 C ASP A 95 10.126 17.438 -2.052 1.00 0.00 C ATOM 1435 O ASP A 95 11.354 17.355 -2.032 1.00 0.00 O ATOM 1436 CB ASP A 95 8.563 17.164 -0.117 1.00 0.00 C ATOM 1437 CG ASP A 95 7.662 18.288 -0.591 1.00 0.00 C ATOM 1438 OD1 ASP A 95 6.702 18.003 -1.338 1.00 0.00 O ATOM 1439 OD2 ASP A 95 7.916 19.451 -0.215 1.00 0.00 O ATOM 0 H ASP A 95 10.799 15.613 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 95 8.509 16.045 -1.949 1.00 0.00 H new ATOM 0 HB2 ASP A 95 7.973 16.442 0.448 1.00 0.00 H new ATOM 0 HB3 ASP A 95 9.312 17.566 0.565 1.00 0.00 H new ATOM 1444 N ARG A 96 9.476 18.373 -2.736 1.00 0.00 N ATOM 1445 CA ARG A 96 10.184 19.377 -3.522 1.00 0.00 C ATOM 1446 C ARG A 96 10.699 20.502 -2.630 1.00 0.00 C ATOM 1447 O ARG A 96 10.563 21.680 -2.959 1.00 0.00 O ATOM 1448 CB ARG A 96 9.266 19.949 -4.604 1.00 0.00 C ATOM 1449 CG ARG A 96 9.065 19.017 -5.788 1.00 0.00 C ATOM 1450 CD ARG A 96 10.311 18.944 -6.657 1.00 0.00 C ATOM 1451 NE ARG A 96 10.409 17.672 -7.368 1.00 0.00 N ATOM 1452 CZ ARG A 96 11.562 17.108 -7.710 1.00 0.00 C ATOM 1453 NH1 ARG A 96 12.709 17.701 -7.408 1.00 0.00 N ATOM 1454 NH2 ARG A 96 11.569 15.949 -8.356 1.00 0.00 N ATOM 0 H ARG A 96 8.460 18.457 -2.762 1.00 0.00 H new ATOM 0 HA ARG A 96 11.038 18.894 -3.997 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.296 20.176 -4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 96 9.682 20.891 -4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 96 8.812 18.020 -5.429 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.222 19.364 -6.386 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.299 19.762 -7.377 1.00 0.00 H new ATOM 0 HD3 ARG A 96 11.195 19.080 -6.035 1.00 0.00 H new ATOM 0 HE ARG A 96 9.545 17.190 -7.616 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.707 18.592 -6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.593 17.266 -7.672 1.00 0.00 H new ATOM 0 HH21 ARG A 96 10.689 15.490 -8.590 1.00 0.00 H new ATOM 0 HH22 ARG A 96 12.455 15.517 -8.618 1.00 0.00 H new ATOM 1468 N GLY A 97 11.290 20.130 -1.498 1.00 0.00 N ATOM 1469 CA GLY A 97 11.815 21.120 -0.576 1.00 0.00 C ATOM 1470 C GLY A 97 13.221 20.791 -0.112 1.00 0.00 C ATOM 1471 O GLY A 97 13.738 19.712 -0.397 1.00 0.00 O ATOM 0 H GLY A 97 11.414 19.161 -1.204 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.814 22.098 -1.058 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.157 21.191 0.290 1.00 0.00 H new ATOM 1475 N GLN A 98 13.840 21.725 0.603 1.00 0.00 N ATOM 1476 CA GLN A 98 15.195 21.530 1.104 1.00 0.00 C ATOM 1477 C GLN A 98 15.404 22.283 2.414 1.00 0.00 C ATOM 1478 O GLN A 98 15.218 23.497 2.497 1.00 0.00 O ATOM 1479 CB GLN A 98 16.217 21.994 0.065 1.00 0.00 C ATOM 1480 CG GLN A 98 16.698 20.883 -0.854 1.00 0.00 C ATOM 1481 CD GLN A 98 17.213 21.406 -2.181 1.00 0.00 C ATOM 1482 OE1 GLN A 98 17.765 22.504 -2.257 1.00 0.00 O ATOM 1483 NE2 GLN A 98 17.036 20.619 -3.236 1.00 0.00 N ATOM 0 H GLN A 98 13.425 22.624 0.848 1.00 0.00 H new ATOM 0 HA GLN A 98 15.337 20.466 1.292 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.775 22.787 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 98 17.075 22.426 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 98 17.490 20.322 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.879 20.186 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 98 16.573 19.717 -3.127 1.00 0.00 H new ATOM 0 HE22 GLN A 98 17.363 20.917 -4.155 1.00 0.00 H new ATOM 1492 N PRO A 99 15.802 21.547 3.462 1.00 0.00 N ATOM 1493 CA PRO A 99 16.027 20.101 3.376 1.00 0.00 C ATOM 1494 C PRO A 99 14.728 19.322 3.196 1.00 0.00 C ATOM 1495 O PRO A 99 13.718 19.595 3.845 1.00 0.00 O ATOM 1496 CB PRO A 99 16.673 19.761 4.721 1.00 0.00 C ATOM 1497 CG PRO A 99 16.200 20.827 5.648 1.00 0.00 C ATOM 1498 CD PRO A 99 16.061 22.070 4.814 1.00 0.00 C ATOM 0 HA PRO A 99 16.640 19.835 2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.371 18.773 5.067 1.00 0.00 H new ATOM 0 HB3 PRO A 99 17.760 19.754 4.647 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.248 20.554 6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 99 16.910 20.980 6.461 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.243 22.700 5.165 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.966 22.677 4.843 1.00 0.00 H new ATOM 1506 N PRO A 100 14.753 18.328 2.296 1.00 0.00 N ATOM 1507 CA PRO A 100 13.585 17.489 2.011 1.00 0.00 C ATOM 1508 C PRO A 100 13.242 16.561 3.172 1.00 0.00 C ATOM 1509 O PRO A 100 14.107 15.858 3.695 1.00 0.00 O ATOM 1510 CB PRO A 100 14.021 16.678 0.789 1.00 0.00 C ATOM 1511 CG PRO A 100 15.508 16.640 0.869 1.00 0.00 C ATOM 1512 CD PRO A 100 15.922 17.947 1.487 1.00 0.00 C ATOM 0 HA PRO A 100 12.686 18.083 1.846 1.00 0.00 H new ATOM 0 HB2 PRO A 100 13.598 15.674 0.809 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.686 17.146 -0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 100 15.845 15.798 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 100 15.949 16.519 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 100 16.816 17.836 2.100 1.00 0.00 H new ATOM 0 HD3 PRO A 100 16.147 18.697 0.728 1.00 0.00 H new ATOM 1520 N LYS A 101 11.974 16.562 3.569 1.00 0.00 N ATOM 1521 CA LYS A 101 11.515 15.719 4.667 1.00 0.00 C ATOM 1522 C LYS A 101 11.282 14.288 4.193 1.00 0.00 C ATOM 1523 O LYS A 101 10.365 14.021 3.415 1.00 0.00 O ATOM 1524 CB LYS A 101 10.225 16.285 5.267 1.00 0.00 C ATOM 1525 CG LYS A 101 9.992 15.869 6.709 1.00 0.00 C ATOM 1526 CD LYS A 101 10.901 16.627 7.662 1.00 0.00 C ATOM 1527 CE LYS A 101 10.534 16.360 9.113 1.00 0.00 C ATOM 1528 NZ LYS A 101 11.225 17.296 10.042 1.00 0.00 N ATOM 0 H LYS A 101 11.245 17.137 3.147 1.00 0.00 H new ATOM 0 HA LYS A 101 12.291 15.708 5.433 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.255 17.373 5.212 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.379 15.959 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 101 8.951 16.049 6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.167 14.798 6.812 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.937 16.335 7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.833 17.696 7.459 1.00 0.00 H new ATOM 0 HE2 LYS A 101 9.455 16.455 9.238 1.00 0.00 H new ATOM 0 HE3 LYS A 101 10.796 15.334 9.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 10.948 17.081 11.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 12.254 17.188 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 10.956 18.274 9.813 1.00 0.00 H new ATOM 1542 N THR A 102 12.118 13.369 4.668 1.00 0.00 N ATOM 1543 CA THR A 102 12.003 11.966 4.293 1.00 0.00 C ATOM 1544 C THR A 102 11.351 11.151 5.405 1.00 0.00 C ATOM 1545 O THR A 102 11.874 11.071 6.517 1.00 0.00 O ATOM 1546 CB THR A 102 13.380 11.357 3.966 1.00 0.00 C ATOM 1547 OG1 THR A 102 14.296 11.614 5.036 1.00 0.00 O ATOM 1548 CG2 THR A 102 13.931 11.932 2.670 1.00 0.00 C ATOM 0 H THR A 102 12.882 13.572 5.313 1.00 0.00 H new ATOM 0 HA THR A 102 11.376 11.928 3.402 1.00 0.00 H new ATOM 0 HB THR A 102 13.258 10.281 3.845 1.00 0.00 H new ATOM 0 HG1 THR A 102 13.806 11.656 5.884 1.00 0.00 H new ATOM 0 HG21 THR A 102 14.904 11.488 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 102 13.245 11.709 1.853 1.00 0.00 H new ATOM 0 HG23 THR A 102 14.039 13.012 2.768 1.00 0.00 H new ATOM 1556 N ASP A 103 10.208 10.548 5.098 1.00 0.00 N ATOM 1557 CA ASP A 103 9.485 9.738 6.071 1.00 0.00 C ATOM 1558 C ASP A 103 9.472 8.271 5.654 1.00 0.00 C ATOM 1559 O ASP A 103 9.181 7.944 4.503 1.00 0.00 O ATOM 1560 CB ASP A 103 8.053 10.249 6.229 1.00 0.00 C ATOM 1561 CG ASP A 103 7.929 11.301 7.314 1.00 0.00 C ATOM 1562 OD1 ASP A 103 8.812 11.349 8.197 1.00 0.00 O ATOM 1563 OD2 ASP A 103 6.951 12.076 7.280 1.00 0.00 O ATOM 0 H ASP A 103 9.762 10.605 4.182 1.00 0.00 H new ATOM 0 HA ASP A 103 9.999 9.820 7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 103 7.713 10.667 5.281 1.00 0.00 H new ATOM 0 HB3 ASP A 103 7.395 9.412 6.462 1.00 0.00 H new ATOM 1568 N LYS A 104 9.790 7.390 6.596 1.00 0.00 N ATOM 1569 CA LYS A 104 9.815 5.957 6.328 1.00 0.00 C ATOM 1570 C LYS A 104 8.485 5.310 6.703 1.00 0.00 C ATOM 1571 O LYS A 104 7.915 5.605 7.753 1.00 0.00 O ATOM 1572 CB LYS A 104 10.954 5.292 7.104 1.00 0.00 C ATOM 1573 CG LYS A 104 12.274 5.277 6.352 1.00 0.00 C ATOM 1574 CD LYS A 104 13.448 5.054 7.291 1.00 0.00 C ATOM 1575 CE LYS A 104 13.893 6.354 7.944 1.00 0.00 C ATOM 1576 NZ LYS A 104 15.218 6.214 8.611 1.00 0.00 N ATOM 0 H LYS A 104 10.034 7.644 7.553 1.00 0.00 H new ATOM 0 HA LYS A 104 9.980 5.815 5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 104 11.091 5.814 8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 104 10.670 4.267 7.343 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.255 4.490 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.404 6.222 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 104 13.168 4.336 8.061 1.00 0.00 H new ATOM 0 HD3 LYS A 104 14.281 4.620 6.738 1.00 0.00 H new ATOM 0 HE2 LYS A 104 13.947 7.139 7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 104 13.149 6.666 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.486 7.121 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 15.160 5.482 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 15.934 5.941 7.908 1.00 0.00 H new ATOM 1590 N ALA A 105 7.998 4.426 5.839 1.00 0.00 N ATOM 1591 CA ALA A 105 6.738 3.735 6.081 1.00 0.00 C ATOM 1592 C ALA A 105 6.865 2.243 5.791 1.00 0.00 C ATOM 1593 O ALA A 105 7.344 1.845 4.729 1.00 0.00 O ATOM 1594 CB ALA A 105 5.630 4.346 5.236 1.00 0.00 C ATOM 0 H ALA A 105 8.457 4.171 4.965 1.00 0.00 H new ATOM 0 HA ALA A 105 6.484 3.853 7.134 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.695 3.820 5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.514 5.399 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.887 4.258 4.180 1.00 0.00 H new ATOM 1600 N THR A 106 6.433 1.421 6.743 1.00 0.00 N ATOM 1601 CA THR A 106 6.500 -0.026 6.591 1.00 0.00 C ATOM 1602 C THR A 106 5.277 -0.559 5.854 1.00 0.00 C ATOM 1603 O THR A 106 4.148 -0.429 6.328 1.00 0.00 O ATOM 1604 CB THR A 106 6.610 -0.730 7.956 1.00 0.00 C ATOM 1605 OG1 THR A 106 7.634 -0.114 8.744 1.00 0.00 O ATOM 1606 CG2 THR A 106 6.919 -2.209 7.779 1.00 0.00 C ATOM 0 H THR A 106 6.033 1.734 7.628 1.00 0.00 H new ATOM 0 HA THR A 106 7.395 -0.241 6.007 1.00 0.00 H new ATOM 0 HB THR A 106 5.652 -0.634 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 106 7.696 -0.567 9.611 1.00 0.00 H new ATOM 0 HG21 THR A 106 6.992 -2.685 8.757 1.00 0.00 H new ATOM 0 HG22 THR A 106 6.122 -2.681 7.204 1.00 0.00 H new ATOM 0 HG23 THR A 106 7.865 -2.322 7.249 1.00 0.00 H new ATOM 1614 N VAL A 107 5.507 -1.160 4.691 1.00 0.00 N ATOM 1615 CA VAL A 107 4.423 -1.715 3.889 1.00 0.00 C ATOM 1616 C VAL A 107 4.281 -3.215 4.119 1.00 0.00 C ATOM 1617 O VAL A 107 5.007 -4.016 3.531 1.00 0.00 O ATOM 1618 CB VAL A 107 4.647 -1.456 2.387 1.00 0.00 C ATOM 1619 CG1 VAL A 107 3.546 -2.105 1.563 1.00 0.00 C ATOM 1620 CG2 VAL A 107 4.722 0.038 2.109 1.00 0.00 C ATOM 0 H VAL A 107 6.435 -1.275 4.283 1.00 0.00 H new ATOM 0 HA VAL A 107 3.508 -1.214 4.204 1.00 0.00 H new ATOM 0 HB VAL A 107 5.597 -1.904 2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.721 -1.911 0.505 1.00 0.00 H new ATOM 0 HG12 VAL A 107 3.545 -3.181 1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 107 2.581 -1.689 1.853 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.881 0.202 1.043 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.789 0.512 2.414 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.550 0.471 2.670 1.00 0.00 H new ATOM 1630 N VAL A 108 3.339 -3.589 4.979 1.00 0.00 N ATOM 1631 CA VAL A 108 3.100 -4.994 5.287 1.00 0.00 C ATOM 1632 C VAL A 108 2.178 -5.634 4.255 1.00 0.00 C ATOM 1633 O VAL A 108 1.013 -5.256 4.128 1.00 0.00 O ATOM 1634 CB VAL A 108 2.481 -5.165 6.687 1.00 0.00 C ATOM 1635 CG1 VAL A 108 2.198 -6.632 6.972 1.00 0.00 C ATOM 1636 CG2 VAL A 108 3.395 -4.574 7.749 1.00 0.00 C ATOM 0 H VAL A 108 2.729 -2.939 5.475 1.00 0.00 H new ATOM 0 HA VAL A 108 4.069 -5.492 5.263 1.00 0.00 H new ATOM 0 HB VAL A 108 1.534 -4.626 6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.761 -6.732 7.966 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.501 -7.019 6.229 1.00 0.00 H new ATOM 0 HG13 VAL A 108 3.129 -7.198 6.926 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.942 -4.704 8.732 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.359 -5.083 7.724 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.540 -3.512 7.554 1.00 0.00 H new ATOM 1646 N LEU A 109 2.708 -6.604 3.518 1.00 0.00 N ATOM 1647 CA LEU A 109 1.933 -7.298 2.496 1.00 0.00 C ATOM 1648 C LEU A 109 1.680 -8.749 2.894 1.00 0.00 C ATOM 1649 O LEU A 109 2.509 -9.624 2.648 1.00 0.00 O ATOM 1650 CB LEU A 109 2.662 -7.246 1.152 1.00 0.00 C ATOM 1651 CG LEU A 109 2.997 -5.851 0.624 1.00 0.00 C ATOM 1652 CD1 LEU A 109 3.720 -5.945 -0.711 1.00 0.00 C ATOM 1653 CD2 LEU A 109 1.733 -5.014 0.490 1.00 0.00 C ATOM 0 H LEU A 109 3.671 -6.928 3.609 1.00 0.00 H new ATOM 0 HA LEU A 109 0.971 -6.794 2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.590 -7.811 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.049 -7.756 0.409 1.00 0.00 H new ATOM 0 HG LEU A 109 3.659 -5.362 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.950 -4.942 -1.071 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.645 -6.507 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.083 -6.453 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.990 -4.024 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.047 -5.500 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.255 -4.918 1.465 1.00 0.00 H new ATOM 1665 N ASN A 110 0.529 -8.996 3.510 1.00 0.00 N ATOM 1666 CA ASN A 110 0.166 -10.341 3.941 1.00 0.00 C ATOM 1667 C ASN A 110 -0.078 -11.250 2.741 1.00 0.00 C ATOM 1668 O ASN A 110 -0.988 -11.014 1.946 1.00 0.00 O ATOM 1669 CB ASN A 110 -1.083 -10.297 4.824 1.00 0.00 C ATOM 1670 CG ASN A 110 -0.767 -9.901 6.253 1.00 0.00 C ATOM 1671 OD1 ASN A 110 -0.562 -10.756 7.115 1.00 0.00 O ATOM 1672 ND2 ASN A 110 -0.727 -8.599 6.511 1.00 0.00 N ATOM 0 H ASN A 110 -0.168 -8.283 3.722 1.00 0.00 H new ATOM 0 HA ASN A 110 0.997 -10.747 4.518 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -1.797 -9.589 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.563 -11.276 4.819 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -0.520 -8.272 7.455 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -0.903 -7.926 5.765 1.00 0.00 H new ATOM 1679 N ILE A 111 0.741 -12.290 2.616 1.00 0.00 N ATOM 1680 CA ILE A 111 0.612 -13.235 1.514 1.00 0.00 C ATOM 1681 C ILE A 111 -0.632 -14.101 1.674 1.00 0.00 C ATOM 1682 O ILE A 111 -0.676 -14.994 2.521 1.00 0.00 O ATOM 1683 CB ILE A 111 1.849 -14.147 1.408 1.00 0.00 C ATOM 1684 CG1 ILE A 111 3.116 -13.307 1.236 1.00 0.00 C ATOM 1685 CG2 ILE A 111 1.690 -15.121 0.250 1.00 0.00 C ATOM 1686 CD1 ILE A 111 3.044 -12.335 0.079 1.00 0.00 C ATOM 0 H ILE A 111 1.500 -12.499 3.264 1.00 0.00 H new ATOM 0 HA ILE A 111 0.525 -12.645 0.601 1.00 0.00 H new ATOM 0 HB ILE A 111 1.940 -14.721 2.330 1.00 0.00 H new ATOM 0 HG12 ILE A 111 3.302 -12.752 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 111 3.966 -13.973 1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 111 2.572 -15.759 0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 111 0.806 -15.738 0.412 1.00 0.00 H new ATOM 0 HG23 ILE A 111 1.578 -14.565 -0.681 1.00 0.00 H new ATOM 0 HD11 ILE A 111 3.976 -11.773 0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 111 2.889 -12.885 -0.849 1.00 0.00 H new ATOM 0 HD13 ILE A 111 2.214 -11.645 0.234 1.00 0.00 H new ATOM 1698 N LYS A 112 -1.643 -13.832 0.855 1.00 0.00 N ATOM 1699 CA LYS A 112 -2.889 -14.588 0.902 1.00 0.00 C ATOM 1700 C LYS A 112 -2.886 -15.708 -0.133 1.00 0.00 C ATOM 1701 O LYS A 112 -1.960 -15.820 -0.938 1.00 0.00 O ATOM 1702 CB LYS A 112 -4.082 -13.660 0.661 1.00 0.00 C ATOM 1703 CG LYS A 112 -4.217 -12.560 1.700 1.00 0.00 C ATOM 1704 CD LYS A 112 -4.689 -13.110 3.036 1.00 0.00 C ATOM 1705 CE LYS A 112 -6.207 -13.102 3.136 1.00 0.00 C ATOM 1706 NZ LYS A 112 -6.805 -14.355 2.596 1.00 0.00 N ATOM 0 H LYS A 112 -1.624 -13.095 0.150 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.977 -15.033 1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.985 -13.207 -0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.997 -14.253 0.651 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.257 -12.061 1.830 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.922 -11.808 1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -4.320 -14.128 3.163 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -4.267 -12.515 3.846 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -6.502 -12.979 4.178 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.603 -12.246 2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -7.717 -14.533 3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.954 -14.255 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -6.162 -15.152 2.776 1.00 0.00 H new ATOM 1720 N ASP A 113 -3.926 -16.533 -0.109 1.00 0.00 N ATOM 1721 CA ASP A 113 -4.044 -17.643 -1.047 1.00 0.00 C ATOM 1722 C ASP A 113 -5.272 -17.475 -1.936 1.00 0.00 C ATOM 1723 O ASP A 113 -6.393 -17.768 -1.523 1.00 0.00 O ATOM 1724 CB ASP A 113 -4.123 -18.971 -0.292 1.00 0.00 C ATOM 1725 CG ASP A 113 -5.130 -18.934 0.841 1.00 0.00 C ATOM 1726 OD1 ASP A 113 -4.780 -18.429 1.928 1.00 0.00 O ATOM 1727 OD2 ASP A 113 -6.267 -19.410 0.641 1.00 0.00 O ATOM 0 H ASP A 113 -4.700 -16.454 0.550 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.157 -17.647 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -4.392 -19.766 -0.988 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -3.139 -19.217 0.108 1.00 0.00 H new ATOM 1732 N GLU A 114 -5.052 -17.000 -3.158 1.00 0.00 N ATOM 1733 CA GLU A 114 -6.141 -16.791 -4.104 1.00 0.00 C ATOM 1734 C GLU A 114 -6.709 -18.124 -4.584 1.00 0.00 C ATOM 1735 O GLU A 114 -7.924 -18.306 -4.651 1.00 0.00 O ATOM 1736 CB GLU A 114 -5.657 -15.971 -5.301 1.00 0.00 C ATOM 1737 CG GLU A 114 -6.755 -15.644 -6.299 1.00 0.00 C ATOM 1738 CD GLU A 114 -6.314 -14.636 -7.343 1.00 0.00 C ATOM 1739 OE1 GLU A 114 -5.359 -13.879 -7.071 1.00 0.00 O ATOM 1740 OE2 GLU A 114 -6.923 -14.606 -8.433 1.00 0.00 O ATOM 0 H GLU A 114 -4.129 -16.753 -3.516 1.00 0.00 H new ATOM 0 HA GLU A 114 -6.931 -16.242 -3.592 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.217 -15.041 -4.940 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.866 -16.521 -5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -7.074 -16.560 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -7.621 -15.253 -5.765 1.00 0.00 H new ATOM 1747 N ASN A 115 -5.819 -19.054 -4.917 1.00 0.00 N ATOM 1748 CA ASN A 115 -6.230 -20.370 -5.391 1.00 0.00 C ATOM 1749 C ASN A 115 -7.510 -20.824 -4.696 1.00 0.00 C ATOM 1750 O ASN A 115 -8.450 -21.286 -5.343 1.00 0.00 O ATOM 1751 CB ASN A 115 -5.117 -21.392 -5.152 1.00 0.00 C ATOM 1752 CG ASN A 115 -5.496 -22.782 -5.625 1.00 0.00 C ATOM 1753 OD1 ASN A 115 -6.071 -23.570 -4.874 1.00 0.00 O ATOM 1754 ND2 ASN A 115 -5.175 -23.089 -6.877 1.00 0.00 N ATOM 0 H ASN A 115 -4.809 -18.920 -4.867 1.00 0.00 H new ATOM 0 HA ASN A 115 -6.425 -20.298 -6.461 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -4.214 -21.069 -5.670 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -4.880 -21.425 -4.089 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -5.405 -24.009 -7.251 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -4.699 -22.404 -7.464 1.00 0.00 H new ATOM 1761 N ASP A 116 -7.539 -20.688 -3.375 1.00 0.00 N ATOM 1762 CA ASP A 116 -8.704 -21.082 -2.591 1.00 0.00 C ATOM 1763 C ASP A 116 -9.987 -20.546 -3.218 1.00 0.00 C ATOM 1764 O ASP A 116 -10.898 -21.308 -3.540 1.00 0.00 O ATOM 1765 CB ASP A 116 -8.573 -20.575 -1.154 1.00 0.00 C ATOM 1766 CG ASP A 116 -9.432 -21.362 -0.183 1.00 0.00 C ATOM 1767 OD1 ASP A 116 -9.250 -22.594 -0.093 1.00 0.00 O ATOM 1768 OD2 ASP A 116 -10.286 -20.744 0.487 1.00 0.00 O ATOM 0 H ASP A 116 -6.769 -20.308 -2.824 1.00 0.00 H new ATOM 0 HA ASP A 116 -8.753 -22.171 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -7.530 -20.636 -0.844 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -8.856 -19.523 -1.115 1.00 0.00 H new ATOM 1773 N ASN A 117 -10.052 -19.229 -3.388 1.00 0.00 N ATOM 1774 CA ASN A 117 -11.224 -18.591 -3.975 1.00 0.00 C ATOM 1775 C ASN A 117 -11.031 -18.368 -5.472 1.00 0.00 C ATOM 1776 O ASN A 117 -10.172 -17.590 -5.888 1.00 0.00 O ATOM 1777 CB ASN A 117 -11.505 -17.256 -3.281 1.00 0.00 C ATOM 1778 CG ASN A 117 -12.941 -16.804 -3.458 1.00 0.00 C ATOM 1779 OD1 ASN A 117 -13.203 -15.728 -3.998 1.00 0.00 O ATOM 1780 ND2 ASN A 117 -13.881 -17.624 -3.003 1.00 0.00 N ATOM 0 H ASN A 117 -9.307 -18.583 -3.127 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.077 -19.254 -3.832 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -11.285 -17.349 -2.218 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.835 -16.494 -3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -14.865 -17.372 -3.094 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -13.619 -18.506 -2.562 1.00 0.00 H new ATOM 1787 N VAL A 118 -11.835 -19.056 -6.276 1.00 0.00 N ATOM 1788 CA VAL A 118 -11.754 -18.932 -7.726 1.00 0.00 C ATOM 1789 C VAL A 118 -11.605 -17.474 -8.146 1.00 0.00 C ATOM 1790 O VAL A 118 -12.219 -16.572 -7.576 1.00 0.00 O ATOM 1791 CB VAL A 118 -12.999 -19.527 -8.411 1.00 0.00 C ATOM 1792 CG1 VAL A 118 -13.108 -21.016 -8.120 1.00 0.00 C ATOM 1793 CG2 VAL A 118 -14.254 -18.795 -7.962 1.00 0.00 C ATOM 0 H VAL A 118 -12.550 -19.705 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 118 -10.873 -19.490 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 118 -12.896 -19.398 -9.488 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -13.993 -21.419 -8.612 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.221 -21.526 -8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -13.188 -21.172 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -15.124 -19.228 -8.456 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -14.364 -18.891 -6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -14.174 -17.741 -8.226 1.00 0.00 H new ATOM 1803 N PRO A 119 -10.769 -17.235 -9.168 1.00 0.00 N ATOM 1804 CA PRO A 119 -10.520 -15.887 -9.688 1.00 0.00 C ATOM 1805 C PRO A 119 -11.731 -15.314 -10.416 1.00 0.00 C ATOM 1806 O PRO A 119 -12.870 -15.687 -10.135 1.00 0.00 O ATOM 1807 CB PRO A 119 -9.358 -16.092 -10.662 1.00 0.00 C ATOM 1808 CG PRO A 119 -9.463 -17.517 -11.083 1.00 0.00 C ATOM 1809 CD PRO A 119 -10.003 -18.262 -9.894 1.00 0.00 C ATOM 0 HA PRO A 119 -10.305 -15.176 -8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -9.435 -15.420 -11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -8.400 -15.890 -10.183 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.125 -17.622 -11.943 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.490 -17.909 -11.380 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.636 -19.097 -10.196 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -9.202 -18.675 -9.281 1.00 0.00 H new TER 1817 PRO A 119