USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 310 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: W 19 TYR OH : rot 130:sc= -0.954! USER MOD Set 1.2: W 28 SER OG : rot -119:sc= 0.754 USER MOD Set 2.1: W 12 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.06) USER MOD Set 2.2: W 18 THR OG1 : rot 180:sc= 0 USER MOD Single : W 6 SER OG : rot 180:sc= 0 USER MOD Single : W 9 THR OG1 : rot -100:sc= -0.204! USER MOD Single : W 11 TYR OH : rot 180:sc= -0.133 USER MOD Single : W 13 THR OG1 : rot 120:sc= 1.24 USER MOD Single : W 17 LYS NZ :NH3+ -107:sc= 2.15 (180deg=-2.93) USER MOD Single : W 20 TYR OH : rot 180:sc= -1.29 USER MOD Single : W 21 TYR OH : rot 180:sc= 0 USER MOD Single : W 22 ASN : amide:sc= -13.1! C(o=-13!,f=-15!) USER MOD Single : W 23 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.5!) USER MOD Single : W 25 THR OG1 : rot -39:sc= 0.919 USER MOD Single : W 29 THR OG1 : rot 12:sc= -2.52! USER MOD Single : W 32 LYS NZ :NH3+ -146:sc= 1.17 (180deg=0.521) USER MOD Single : W 34 GLN : amide:sc= -0.0848 X(o=-0.085,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL W 5 -5.693 -11.158 -7.406 1.00 0.00 N ATOM 45 CA VAL W 5 -4.728 -10.094 -7.224 1.00 0.00 C ATOM 46 C VAL W 5 -5.435 -8.753 -7.261 1.00 0.00 C ATOM 47 O VAL W 5 -6.045 -8.368 -8.263 1.00 0.00 O ATOM 48 CB VAL W 5 -3.583 -10.152 -8.251 1.00 0.00 C ATOM 49 CG1 VAL W 5 -4.151 -10.351 -9.629 1.00 0.00 C ATOM 50 CG2 VAL W 5 -2.710 -8.902 -8.197 1.00 0.00 C ATOM 0 HA VAL W 5 -4.263 -10.228 -6.247 1.00 0.00 H new ATOM 0 HB VAL W 5 -2.942 -10.998 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL W 5 -3.339 -10.392 -10.355 1.00 0.00 H new ATOM 0 HG12 VAL W 5 -4.712 -11.285 -9.660 1.00 0.00 H new ATOM 0 HG13 VAL W 5 -4.814 -9.521 -9.873 1.00 0.00 H new ATOM 0 HG21 VAL W 5 -1.914 -8.982 -8.937 1.00 0.00 H new ATOM 0 HG22 VAL W 5 -3.318 -8.024 -8.412 1.00 0.00 H new ATOM 0 HG23 VAL W 5 -2.273 -8.806 -7.203 1.00 0.00 H new ATOM 60 N SER W 6 -5.372 -8.068 -6.140 1.00 0.00 N ATOM 61 CA SER W 6 -6.055 -6.800 -5.967 1.00 0.00 C ATOM 62 C SER W 6 -5.226 -5.651 -6.483 1.00 0.00 C ATOM 63 O SER W 6 -4.137 -5.853 -7.022 1.00 0.00 O ATOM 64 CB SER W 6 -6.418 -6.603 -4.503 1.00 0.00 C ATOM 65 OG SER W 6 -7.214 -7.676 -4.030 1.00 0.00 O ATOM 0 H SER W 6 -4.846 -8.373 -5.321 1.00 0.00 H new ATOM 0 HA SER W 6 -6.973 -6.820 -6.555 1.00 0.00 H new ATOM 0 HB2 SER W 6 -5.509 -6.528 -3.906 1.00 0.00 H new ATOM 0 HB3 SER W 6 -6.957 -5.664 -4.381 1.00 0.00 H new ATOM 0 HG SER W 6 -7.434 -7.529 -3.086 1.00 0.00 H new ATOM 71 N GLU W 7 -5.742 -4.449 -6.319 1.00 0.00 N ATOM 72 CA GLU W 7 -5.008 -3.283 -6.723 1.00 0.00 C ATOM 73 C GLU W 7 -3.916 -3.061 -5.709 1.00 0.00 C ATOM 74 O GLU W 7 -4.178 -2.722 -4.555 1.00 0.00 O ATOM 75 CB GLU W 7 -5.919 -2.051 -6.819 1.00 0.00 C ATOM 76 CG GLU W 7 -5.164 -0.728 -6.950 1.00 0.00 C ATOM 77 CD GLU W 7 -4.445 -0.560 -8.277 1.00 0.00 C ATOM 78 OE1 GLU W 7 -3.602 -1.412 -8.613 1.00 0.00 O ATOM 79 OE2 GLU W 7 -4.708 0.445 -8.976 1.00 0.00 O ATOM 0 H GLU W 7 -6.659 -4.262 -5.912 1.00 0.00 H new ATOM 0 HA GLU W 7 -4.585 -3.436 -7.716 1.00 0.00 H new ATOM 0 HB2 GLU W 7 -6.580 -2.167 -7.678 1.00 0.00 H new ATOM 0 HB3 GLU W 7 -6.552 -2.010 -5.933 1.00 0.00 H new ATOM 0 HG2 GLU W 7 -5.867 0.095 -6.822 1.00 0.00 H new ATOM 0 HG3 GLU W 7 -4.437 -0.654 -6.142 1.00 0.00 H new ATOM 86 N TRP W 8 -2.705 -3.295 -6.152 1.00 0.00 N ATOM 87 CA TRP W 8 -1.534 -3.174 -5.305 1.00 0.00 C ATOM 88 C TRP W 8 -0.647 -2.062 -5.847 1.00 0.00 C ATOM 89 O TRP W 8 0.180 -2.288 -6.730 1.00 0.00 O ATOM 90 CB TRP W 8 -0.696 -4.476 -5.300 1.00 0.00 C ATOM 91 CG TRP W 8 -1.432 -5.753 -4.969 1.00 0.00 C ATOM 92 CD1 TRP W 8 -1.320 -6.955 -5.612 1.00 0.00 C ATOM 93 CD2 TRP W 8 -2.381 -5.953 -3.934 1.00 0.00 C ATOM 94 NE1 TRP W 8 -2.119 -7.896 -5.008 1.00 0.00 N ATOM 95 CE2 TRP W 8 -2.797 -7.298 -3.985 1.00 0.00 C ATOM 96 CE3 TRP W 8 -2.914 -5.127 -2.969 1.00 0.00 C ATOM 97 CZ2 TRP W 8 -3.730 -7.823 -3.091 1.00 0.00 C ATOM 98 CZ3 TRP W 8 -3.847 -5.644 -2.104 1.00 0.00 C ATOM 99 CH2 TRP W 8 -4.251 -6.966 -2.161 1.00 0.00 C ATOM 0 H TRP W 8 -2.499 -3.575 -7.111 1.00 0.00 H new ATOM 0 HA TRP W 8 -1.876 -2.964 -4.292 1.00 0.00 H new ATOM 0 HB2 TRP W 8 -0.239 -4.591 -6.283 1.00 0.00 H new ATOM 0 HB3 TRP W 8 0.116 -4.355 -4.583 1.00 0.00 H new ATOM 0 HD1 TRP W 8 -0.693 -7.138 -6.472 1.00 0.00 H new ATOM 0 HE1 TRP W 8 -2.193 -8.877 -5.279 1.00 0.00 H new ATOM 0 HE3 TRP W 8 -2.605 -4.095 -2.894 1.00 0.00 H new ATOM 0 HZ2 TRP W 8 -4.028 -8.860 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP W 8 -4.279 -4.997 -1.355 1.00 0.00 H new ATOM 0 HH2 TRP W 8 -4.989 -7.327 -1.460 1.00 0.00 H new ATOM 110 N THR W 9 -0.847 -0.853 -5.352 1.00 0.00 N ATOM 111 CA THR W 9 -0.015 0.261 -5.764 1.00 0.00 C ATOM 112 C THR W 9 1.084 0.495 -4.783 1.00 0.00 C ATOM 113 O THR W 9 1.168 -0.114 -3.714 1.00 0.00 O ATOM 114 CB THR W 9 -0.800 1.592 -5.942 1.00 0.00 C ATOM 115 OG1 THR W 9 0.047 2.718 -6.225 1.00 0.00 O ATOM 116 CG2 THR W 9 -1.661 1.900 -4.724 1.00 0.00 C ATOM 0 H THR W 9 -1.570 -0.620 -4.672 1.00 0.00 H new ATOM 0 HA THR W 9 0.386 -0.026 -6.736 1.00 0.00 H new ATOM 0 HB THR W 9 -1.440 1.435 -6.810 1.00 0.00 H new ATOM 0 HG1 THR W 9 0.188 3.236 -5.405 1.00 0.00 H new ATOM 0 HG21 THR W 9 -2.195 2.837 -4.883 1.00 0.00 H new ATOM 0 HG22 THR W 9 -2.379 1.094 -4.573 1.00 0.00 H new ATOM 0 HG23 THR W 9 -1.026 1.990 -3.843 1.00 0.00 H new ATOM 124 N GLU W 10 1.852 1.456 -5.155 1.00 0.00 N ATOM 125 CA GLU W 10 3.011 1.860 -4.400 1.00 0.00 C ATOM 126 C GLU W 10 2.748 3.187 -3.744 1.00 0.00 C ATOM 127 O GLU W 10 2.724 4.236 -4.385 1.00 0.00 O ATOM 128 CB GLU W 10 4.258 1.970 -5.254 1.00 0.00 C ATOM 129 CG GLU W 10 4.709 0.669 -5.883 1.00 0.00 C ATOM 130 CD GLU W 10 6.129 0.759 -6.392 1.00 0.00 C ATOM 131 OE1 GLU W 10 6.332 1.285 -7.501 1.00 0.00 O ATOM 132 OE2 GLU W 10 7.053 0.319 -5.669 1.00 0.00 O ATOM 0 H GLU W 10 1.701 2.000 -6.004 1.00 0.00 H new ATOM 0 HA GLU W 10 3.190 1.086 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU W 10 4.077 2.697 -6.045 1.00 0.00 H new ATOM 0 HB3 GLU W 10 5.069 2.362 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU W 10 4.635 -0.135 -5.150 1.00 0.00 H new ATOM 0 HG3 GLU W 10 4.043 0.412 -6.706 1.00 0.00 H new ATOM 139 N TYR W 11 2.528 3.125 -2.469 1.00 0.00 N ATOM 140 CA TYR W 11 2.331 4.301 -1.676 1.00 0.00 C ATOM 141 C TYR W 11 3.353 4.299 -0.556 1.00 0.00 C ATOM 142 O TYR W 11 3.073 3.925 0.575 1.00 0.00 O ATOM 143 CB TYR W 11 0.905 4.344 -1.137 1.00 0.00 C ATOM 144 CG TYR W 11 0.067 5.443 -1.753 1.00 0.00 C ATOM 145 CD1 TYR W 11 0.531 6.744 -1.761 1.00 0.00 C ATOM 146 CD2 TYR W 11 -1.177 5.186 -2.316 1.00 0.00 C ATOM 147 CE1 TYR W 11 -0.207 7.773 -2.299 1.00 0.00 C ATOM 148 CE2 TYR W 11 -1.934 6.207 -2.864 1.00 0.00 C ATOM 149 CZ TYR W 11 -1.448 7.501 -2.850 1.00 0.00 C ATOM 150 OH TYR W 11 -2.197 8.518 -3.393 1.00 0.00 O ATOM 0 H TYR W 11 2.479 2.252 -1.944 1.00 0.00 H new ATOM 0 HA TYR W 11 2.470 5.196 -2.283 1.00 0.00 H new ATOM 0 HB2 TYR W 11 0.425 3.383 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR W 11 0.936 4.482 -0.056 1.00 0.00 H new ATOM 0 HD1 TYR W 11 1.499 6.959 -1.333 1.00 0.00 H new ATOM 0 HD2 TYR W 11 -1.559 4.176 -2.326 1.00 0.00 H new ATOM 0 HE1 TYR W 11 0.177 8.782 -2.292 1.00 0.00 H new ATOM 0 HE2 TYR W 11 -2.899 5.994 -3.300 1.00 0.00 H new ATOM 0 HH TYR W 11 -3.040 8.156 -3.737 1.00 0.00 H new ATOM 160 N LYS W 12 4.563 4.660 -0.906 1.00 0.00 N ATOM 161 CA LYS W 12 5.656 4.588 0.032 1.00 0.00 C ATOM 162 C LYS W 12 5.768 5.883 0.819 1.00 0.00 C ATOM 163 O LYS W 12 5.868 6.968 0.251 1.00 0.00 O ATOM 164 CB LYS W 12 6.957 4.220 -0.703 1.00 0.00 C ATOM 165 CG LYS W 12 7.207 5.019 -1.975 1.00 0.00 C ATOM 166 CD LYS W 12 8.199 4.313 -2.890 1.00 0.00 C ATOM 167 CE LYS W 12 7.618 3.016 -3.436 1.00 0.00 C ATOM 168 NZ LYS W 12 8.563 2.307 -4.339 1.00 0.00 N ATOM 0 H LYS W 12 4.816 5.006 -1.832 1.00 0.00 H new ATOM 0 HA LYS W 12 5.464 3.798 0.759 1.00 0.00 H new ATOM 0 HB2 LYS W 12 7.797 4.367 -0.025 1.00 0.00 H new ATOM 0 HB3 LYS W 12 6.931 3.159 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS W 12 6.265 5.168 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS W 12 7.588 6.007 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS W 12 8.467 4.971 -3.717 1.00 0.00 H new ATOM 0 HD3 LYS W 12 9.117 4.101 -2.341 1.00 0.00 H new ATOM 0 HE2 LYS W 12 7.353 2.362 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS W 12 6.697 3.233 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS W 12 8.056 1.559 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS W 12 8.966 2.983 -5.019 1.00 0.00 H new ATOM 0 HZ3 LYS W 12 9.328 1.883 -3.777 1.00 0.00 H new ATOM 182 N THR W 13 5.718 5.747 2.135 1.00 0.00 N ATOM 183 CA THR W 13 5.666 6.885 3.034 1.00 0.00 C ATOM 184 C THR W 13 7.070 7.429 3.307 1.00 0.00 C ATOM 185 O THR W 13 8.050 6.951 2.733 1.00 0.00 O ATOM 186 CB THR W 13 4.980 6.472 4.351 1.00 0.00 C ATOM 187 OG1 THR W 13 5.736 5.434 4.988 1.00 0.00 O ATOM 188 CG2 THR W 13 3.577 5.967 4.084 1.00 0.00 C ATOM 0 H THR W 13 5.712 4.843 2.608 1.00 0.00 H new ATOM 0 HA THR W 13 5.087 7.679 2.563 1.00 0.00 H new ATOM 0 HB THR W 13 4.929 7.346 5.000 1.00 0.00 H new ATOM 0 HG1 THR W 13 6.026 5.737 5.874 1.00 0.00 H new ATOM 0 HG21 THR W 13 3.108 5.680 5.025 1.00 0.00 H new ATOM 0 HG22 THR W 13 2.990 6.755 3.612 1.00 0.00 H new ATOM 0 HG23 THR W 13 3.621 5.102 3.422 1.00 0.00 H new ATOM 196 N ALA W 14 7.173 8.407 4.205 1.00 0.00 N ATOM 197 CA ALA W 14 8.451 9.065 4.491 1.00 0.00 C ATOM 198 C ALA W 14 9.398 8.164 5.285 1.00 0.00 C ATOM 199 O ALA W 14 10.460 8.601 5.732 1.00 0.00 O ATOM 200 CB ALA W 14 8.214 10.362 5.247 1.00 0.00 C ATOM 0 H ALA W 14 6.387 8.763 4.749 1.00 0.00 H new ATOM 0 HA ALA W 14 8.927 9.280 3.534 1.00 0.00 H new ATOM 0 HB1 ALA W 14 9.170 10.842 5.454 1.00 0.00 H new ATOM 0 HB2 ALA W 14 7.597 11.027 4.643 1.00 0.00 H new ATOM 0 HB3 ALA W 14 7.705 10.148 6.186 1.00 0.00 H new ATOM 206 N ASP W 15 9.013 6.910 5.449 1.00 0.00 N ATOM 207 CA ASP W 15 9.822 5.934 6.172 1.00 0.00 C ATOM 208 C ASP W 15 10.853 5.299 5.249 1.00 0.00 C ATOM 209 O ASP W 15 11.811 4.682 5.711 1.00 0.00 O ATOM 210 CB ASP W 15 8.936 4.833 6.763 1.00 0.00 C ATOM 211 CG ASP W 15 7.944 5.352 7.777 1.00 0.00 C ATOM 212 OD1 ASP W 15 6.849 5.792 7.370 1.00 0.00 O ATOM 213 OD2 ASP W 15 8.252 5.312 8.990 1.00 0.00 O ATOM 0 H ASP W 15 8.135 6.537 5.088 1.00 0.00 H new ATOM 0 HA ASP W 15 10.335 6.460 6.978 1.00 0.00 H new ATOM 0 HB2 ASP W 15 8.396 4.337 5.956 1.00 0.00 H new ATOM 0 HB3 ASP W 15 9.568 4.080 7.234 1.00 0.00 H new ATOM 218 N GLY W 16 10.658 5.466 3.944 1.00 0.00 N ATOM 219 CA GLY W 16 11.485 4.763 2.981 1.00 0.00 C ATOM 220 C GLY W 16 10.997 3.343 2.794 1.00 0.00 C ATOM 221 O GLY W 16 11.681 2.491 2.223 1.00 0.00 O ATOM 0 H GLY W 16 9.945 6.073 3.538 1.00 0.00 H new ATOM 0 HA2 GLY W 16 11.466 5.288 2.026 1.00 0.00 H new ATOM 0 HA3 GLY W 16 12.521 4.755 3.320 1.00 0.00 H new ATOM 225 N LYS W 17 9.798 3.100 3.296 1.00 0.00 N ATOM 226 CA LYS W 17 9.171 1.799 3.206 1.00 0.00 C ATOM 227 C LYS W 17 8.130 1.811 2.095 1.00 0.00 C ATOM 228 O LYS W 17 7.367 2.770 1.970 1.00 0.00 O ATOM 229 CB LYS W 17 8.506 1.437 4.544 1.00 0.00 C ATOM 230 CG LYS W 17 7.778 0.102 4.532 1.00 0.00 C ATOM 231 CD LYS W 17 8.730 -1.052 4.272 1.00 0.00 C ATOM 232 CE LYS W 17 8.005 -2.386 4.252 1.00 0.00 C ATOM 233 NZ LYS W 17 6.970 -2.447 3.181 1.00 0.00 N ATOM 0 H LYS W 17 9.235 3.801 3.777 1.00 0.00 H new ATOM 0 HA LYS W 17 9.931 1.051 2.980 1.00 0.00 H new ATOM 0 HB2 LYS W 17 9.268 1.416 5.323 1.00 0.00 H new ATOM 0 HB3 LYS W 17 7.799 2.222 4.811 1.00 0.00 H new ATOM 0 HG2 LYS W 17 7.276 -0.048 5.488 1.00 0.00 H new ATOM 0 HG3 LYS W 17 7.004 0.116 3.765 1.00 0.00 H new ATOM 0 HD2 LYS W 17 9.236 -0.899 3.319 1.00 0.00 H new ATOM 0 HD3 LYS W 17 9.501 -1.068 5.043 1.00 0.00 H new ATOM 0 HE2 LYS W 17 8.728 -3.188 4.103 1.00 0.00 H new ATOM 0 HE3 LYS W 17 7.534 -2.557 5.220 1.00 0.00 H new ATOM 0 HZ1 LYS W 17 6.024 -2.390 3.609 1.00 0.00 H new ATOM 0 HZ2 LYS W 17 7.102 -1.651 2.525 1.00 0.00 H new ATOM 0 HZ3 LYS W 17 7.061 -3.343 2.661 1.00 0.00 H new ATOM 247 N THR W 18 8.087 0.747 1.311 1.00 0.00 N ATOM 248 CA THR W 18 7.098 0.630 0.259 1.00 0.00 C ATOM 249 C THR W 18 5.796 0.122 0.845 1.00 0.00 C ATOM 250 O THR W 18 5.631 -1.074 1.087 1.00 0.00 O ATOM 251 CB THR W 18 7.560 -0.336 -0.848 1.00 0.00 C ATOM 252 OG1 THR W 18 8.872 0.019 -1.298 1.00 0.00 O ATOM 253 CG2 THR W 18 6.593 -0.318 -2.024 1.00 0.00 C ATOM 0 H THR W 18 8.725 -0.045 1.385 1.00 0.00 H new ATOM 0 HA THR W 18 6.960 1.617 -0.182 1.00 0.00 H new ATOM 0 HB THR W 18 7.581 -1.343 -0.430 1.00 0.00 H new ATOM 0 HG1 THR W 18 9.156 -0.603 -2.000 1.00 0.00 H new ATOM 0 HG21 THR W 18 6.941 -1.008 -2.792 1.00 0.00 H new ATOM 0 HG22 THR W 18 5.603 -0.622 -1.685 1.00 0.00 H new ATOM 0 HG23 THR W 18 6.542 0.689 -2.438 1.00 0.00 H new ATOM 261 N TYR W 19 4.899 1.052 1.114 1.00 0.00 N ATOM 262 CA TYR W 19 3.601 0.742 1.658 1.00 0.00 C ATOM 263 C TYR W 19 2.629 0.602 0.493 1.00 0.00 C ATOM 264 O TYR W 19 2.691 1.358 -0.470 1.00 0.00 O ATOM 265 CB TYR W 19 3.251 1.858 2.677 1.00 0.00 C ATOM 266 CG TYR W 19 1.788 2.225 2.893 1.00 0.00 C ATOM 267 CD1 TYR W 19 0.756 1.288 2.836 1.00 0.00 C ATOM 268 CD2 TYR W 19 1.438 3.544 3.192 1.00 0.00 C ATOM 269 CE1 TYR W 19 -0.556 1.650 3.055 1.00 0.00 C ATOM 270 CE2 TYR W 19 0.154 3.892 3.410 1.00 0.00 C ATOM 271 CZ TYR W 19 -0.851 2.956 3.343 1.00 0.00 C ATOM 272 OH TYR W 19 -2.151 3.323 3.578 1.00 0.00 O ATOM 0 H TYR W 19 5.056 2.048 0.958 1.00 0.00 H new ATOM 0 HA TYR W 19 3.559 -0.202 2.201 1.00 0.00 H new ATOM 0 HB2 TYR W 19 3.663 1.564 3.642 1.00 0.00 H new ATOM 0 HB3 TYR W 19 3.776 2.762 2.369 1.00 0.00 H new ATOM 0 HD1 TYR W 19 0.990 0.257 2.616 1.00 0.00 H new ATOM 0 HD2 TYR W 19 2.209 4.298 3.249 1.00 0.00 H new ATOM 0 HE1 TYR W 19 -1.343 0.912 3.000 1.00 0.00 H new ATOM 0 HE2 TYR W 19 -0.088 4.919 3.640 1.00 0.00 H new ATOM 0 HH TYR W 19 -2.200 3.839 4.410 1.00 0.00 H new ATOM 282 N TYR W 20 1.776 -0.398 0.541 1.00 0.00 N ATOM 283 CA TYR W 20 0.861 -0.644 -0.555 1.00 0.00 C ATOM 284 C TYR W 20 -0.531 -0.202 -0.155 1.00 0.00 C ATOM 285 O TYR W 20 -0.990 -0.503 0.948 1.00 0.00 O ATOM 286 CB TYR W 20 0.811 -2.135 -0.930 1.00 0.00 C ATOM 287 CG TYR W 20 2.135 -2.771 -1.315 1.00 0.00 C ATOM 288 CD1 TYR W 20 3.001 -3.360 -0.377 1.00 0.00 C ATOM 289 CD2 TYR W 20 2.498 -2.818 -2.655 1.00 0.00 C ATOM 290 CE1 TYR W 20 4.173 -3.958 -0.786 1.00 0.00 C ATOM 291 CE2 TYR W 20 3.672 -3.415 -3.058 1.00 0.00 C ATOM 292 CZ TYR W 20 4.505 -3.984 -2.123 1.00 0.00 C ATOM 293 OH TYR W 20 5.679 -4.582 -2.529 1.00 0.00 O ATOM 0 H TYR W 20 1.696 -1.051 1.321 1.00 0.00 H new ATOM 0 HA TYR W 20 1.217 -0.080 -1.418 1.00 0.00 H new ATOM 0 HB2 TYR W 20 0.397 -2.687 -0.086 1.00 0.00 H new ATOM 0 HB3 TYR W 20 0.117 -2.257 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR W 20 2.746 -3.344 0.672 1.00 0.00 H new ATOM 0 HD2 TYR W 20 1.847 -2.378 -3.396 1.00 0.00 H new ATOM 0 HE1 TYR W 20 4.832 -4.407 -0.058 1.00 0.00 H new ATOM 0 HE2 TYR W 20 3.938 -3.436 -4.105 1.00 0.00 H new ATOM 0 HH TYR W 20 5.761 -4.514 -3.503 1.00 0.00 H new ATOM 303 N TYR W 21 -1.222 0.485 -1.042 1.00 0.00 N ATOM 304 CA TYR W 21 -2.600 0.853 -0.759 1.00 0.00 C ATOM 305 C TYR W 21 -3.489 0.107 -1.722 1.00 0.00 C ATOM 306 O TYR W 21 -3.473 0.321 -2.932 1.00 0.00 O ATOM 307 CB TYR W 21 -2.857 2.363 -0.842 1.00 0.00 C ATOM 308 CG TYR W 21 -4.273 2.770 -0.438 1.00 0.00 C ATOM 309 CD1 TYR W 21 -5.342 2.589 -1.314 1.00 0.00 C ATOM 310 CD2 TYR W 21 -4.547 3.340 0.813 1.00 0.00 C ATOM 311 CE1 TYR W 21 -6.625 2.957 -0.965 1.00 0.00 C ATOM 312 CE2 TYR W 21 -5.835 3.706 1.161 1.00 0.00 C ATOM 313 CZ TYR W 21 -6.867 3.512 0.271 1.00 0.00 C ATOM 314 OH TYR W 21 -8.150 3.877 0.614 1.00 0.00 O ATOM 0 H TYR W 21 -0.865 0.795 -1.946 1.00 0.00 H new ATOM 0 HA TYR W 21 -2.822 0.578 0.272 1.00 0.00 H new ATOM 0 HB2 TYR W 21 -2.143 2.879 -0.200 1.00 0.00 H new ATOM 0 HB3 TYR W 21 -2.669 2.699 -1.862 1.00 0.00 H new ATOM 0 HD1 TYR W 21 -5.162 2.152 -2.285 1.00 0.00 H new ATOM 0 HD2 TYR W 21 -3.741 3.496 1.515 1.00 0.00 H new ATOM 0 HE1 TYR W 21 -7.438 2.810 -1.660 1.00 0.00 H new ATOM 0 HE2 TYR W 21 -6.030 4.143 2.129 1.00 0.00 H new ATOM 0 HH TYR W 21 -8.152 4.252 1.519 1.00 0.00 H new ATOM 324 N ASN W 22 -4.236 -0.790 -1.150 1.00 0.00 N ATOM 325 CA ASN W 22 -5.036 -1.724 -1.889 1.00 0.00 C ATOM 326 C ASN W 22 -6.404 -1.144 -2.191 1.00 0.00 C ATOM 327 O ASN W 22 -7.085 -0.646 -1.308 1.00 0.00 O ATOM 328 CB ASN W 22 -5.180 -2.987 -1.051 1.00 0.00 C ATOM 329 CG ASN W 22 -6.189 -3.964 -1.599 1.00 0.00 C ATOM 330 OD1 ASN W 22 -6.820 -4.684 -0.839 1.00 0.00 O ATOM 331 ND2 ASN W 22 -6.309 -4.038 -2.917 1.00 0.00 N ATOM 0 H ASN W 22 -4.309 -0.896 -0.138 1.00 0.00 H new ATOM 0 HA ASN W 22 -4.554 -1.948 -2.840 1.00 0.00 H new ATOM 0 HB2 ASN W 22 -4.210 -3.480 -0.982 1.00 0.00 H new ATOM 0 HB3 ASN W 22 -5.469 -2.709 -0.037 1.00 0.00 H new ATOM 0 HD21 ASN W 22 -6.948 -4.716 -3.334 1.00 0.00 H new ATOM 0 HD22 ASN W 22 -5.763 -3.417 -3.514 1.00 0.00 H new ATOM 338 N ASN W 23 -6.814 -1.210 -3.436 1.00 0.00 N ATOM 339 CA ASN W 23 -8.170 -0.824 -3.775 1.00 0.00 C ATOM 340 C ASN W 23 -9.064 -2.072 -3.805 1.00 0.00 C ATOM 341 O ASN W 23 -9.709 -2.365 -4.811 1.00 0.00 O ATOM 342 CB ASN W 23 -8.211 -0.098 -5.122 1.00 0.00 C ATOM 343 CG ASN W 23 -9.480 0.718 -5.320 1.00 0.00 C ATOM 344 OD1 ASN W 23 -10.531 0.421 -4.752 1.00 0.00 O ATOM 345 ND2 ASN W 23 -9.387 1.753 -6.139 1.00 0.00 N ATOM 0 H ASN W 23 -6.242 -1.521 -4.221 1.00 0.00 H new ATOM 0 HA ASN W 23 -8.542 -0.135 -3.016 1.00 0.00 H new ATOM 0 HB2 ASN W 23 -7.346 0.561 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN W 23 -8.127 -0.830 -5.925 1.00 0.00 H new ATOM 0 HD21 ASN W 23 -10.204 2.337 -6.318 1.00 0.00 H new ATOM 0 HD22 ASN W 23 -8.498 1.967 -6.591 1.00 0.00 H new ATOM 352 N ARG W 24 -9.054 -2.844 -2.710 1.00 0.00 N ATOM 353 CA ARG W 24 -9.945 -4.003 -2.591 1.00 0.00 C ATOM 354 C ARG W 24 -11.354 -3.501 -2.289 1.00 0.00 C ATOM 355 O ARG W 24 -12.150 -3.238 -3.185 1.00 0.00 O ATOM 356 CB ARG W 24 -9.488 -4.957 -1.486 1.00 0.00 C ATOM 357 CG ARG W 24 -10.356 -6.201 -1.336 1.00 0.00 C ATOM 358 CD ARG W 24 -9.725 -7.235 -0.410 1.00 0.00 C ATOM 359 NE ARG W 24 -9.454 -6.717 0.935 1.00 0.00 N ATOM 360 CZ ARG W 24 -9.655 -7.416 2.057 1.00 0.00 C ATOM 361 NH1 ARG W 24 -10.169 -8.636 2.001 1.00 0.00 N ATOM 362 NH2 ARG W 24 -9.337 -6.902 3.236 1.00 0.00 N ATOM 0 H ARG W 24 -8.447 -2.689 -1.905 1.00 0.00 H new ATOM 0 HA ARG W 24 -9.926 -4.557 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG W 24 -8.462 -5.266 -1.689 1.00 0.00 H new ATOM 0 HB3 ARG W 24 -9.477 -4.419 -0.538 1.00 0.00 H new ATOM 0 HG2 ARG W 24 -11.333 -5.915 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG W 24 -10.522 -6.647 -2.317 1.00 0.00 H new ATOM 0 HD2 ARG W 24 -10.388 -8.097 -0.334 1.00 0.00 H new ATOM 0 HD3 ARG W 24 -8.793 -7.588 -0.851 1.00 0.00 H new ATOM 0 HE ARG W 24 -9.091 -5.768 1.020 1.00 0.00 H new ATOM 0 HH11 ARG W 24 -10.413 -9.046 1.099 1.00 0.00 H new ATOM 0 HH12 ARG W 24 -10.321 -9.165 2.860 1.00 0.00 H new ATOM 0 HH21 ARG W 24 -8.935 -5.966 3.293 1.00 0.00 H new ATOM 0 HH22 ARG W 24 -9.494 -7.442 4.087 1.00 0.00 H new ATOM 376 N THR W 25 -11.638 -3.368 -1.004 1.00 0.00 N ATOM 377 CA THR W 25 -12.771 -2.598 -0.536 1.00 0.00 C ATOM 378 C THR W 25 -12.246 -1.260 -0.019 1.00 0.00 C ATOM 379 O THR W 25 -12.892 -0.586 0.786 1.00 0.00 O ATOM 380 CB THR W 25 -13.535 -3.349 0.570 1.00 0.00 C ATOM 381 OG1 THR W 25 -14.653 -2.584 1.035 1.00 0.00 O ATOM 382 CG2 THR W 25 -12.602 -3.638 1.711 1.00 0.00 C ATOM 0 H THR W 25 -11.087 -3.792 -0.258 1.00 0.00 H new ATOM 0 HA THR W 25 -13.474 -2.438 -1.354 1.00 0.00 H new ATOM 0 HB THR W 25 -13.915 -4.284 0.157 1.00 0.00 H new ATOM 0 HG1 THR W 25 -14.404 -1.637 1.084 1.00 0.00 H new ATOM 0 HG21 THR W 25 -13.140 -4.170 2.496 1.00 0.00 H new ATOM 0 HG22 THR W 25 -11.775 -4.253 1.358 1.00 0.00 H new ATOM 0 HG23 THR W 25 -12.213 -2.701 2.109 1.00 0.00 H new ATOM 390 N LEU W 26 -11.076 -0.887 -0.552 1.00 0.00 N ATOM 391 CA LEU W 26 -10.229 0.175 -0.005 1.00 0.00 C ATOM 392 C LEU W 26 -9.502 -0.348 1.231 1.00 0.00 C ATOM 393 O LEU W 26 -10.048 -0.391 2.332 1.00 0.00 O ATOM 394 CB LEU W 26 -11.006 1.464 0.297 1.00 0.00 C ATOM 395 CG LEU W 26 -11.557 2.190 -0.934 1.00 0.00 C ATOM 396 CD1 LEU W 26 -12.279 3.465 -0.526 1.00 0.00 C ATOM 397 CD2 LEU W 26 -10.436 2.500 -1.918 1.00 0.00 C ATOM 0 H LEU W 26 -10.687 -1.323 -1.388 1.00 0.00 H new ATOM 0 HA LEU W 26 -9.498 0.449 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU W 26 -11.837 1.223 0.960 1.00 0.00 H new ATOM 0 HB3 LEU W 26 -10.352 2.146 0.840 1.00 0.00 H new ATOM 0 HG LEU W 26 -12.275 1.534 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU W 26 -12.663 3.966 -1.415 1.00 0.00 H new ATOM 0 HD12 LEU W 26 -13.108 3.217 0.138 1.00 0.00 H new ATOM 0 HD13 LEU W 26 -11.585 4.127 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU W 26 -10.846 3.016 -2.786 1.00 0.00 H new ATOM 0 HD22 LEU W 26 -9.694 3.136 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU W 26 -9.965 1.570 -2.237 1.00 0.00 H new ATOM 409 N GLU W 27 -8.264 -0.773 1.016 1.00 0.00 N ATOM 410 CA GLU W 27 -7.467 -1.447 2.029 1.00 0.00 C ATOM 411 C GLU W 27 -6.060 -0.866 2.056 1.00 0.00 C ATOM 412 O GLU W 27 -5.600 -0.292 1.076 1.00 0.00 O ATOM 413 CB GLU W 27 -7.373 -2.950 1.716 1.00 0.00 C ATOM 414 CG GLU W 27 -6.674 -3.755 2.792 1.00 0.00 C ATOM 415 CD GLU W 27 -7.467 -3.768 4.080 1.00 0.00 C ATOM 416 OE1 GLU W 27 -7.458 -2.744 4.795 1.00 0.00 O ATOM 417 OE2 GLU W 27 -8.122 -4.793 4.368 1.00 0.00 O ATOM 0 H GLU W 27 -7.781 -0.658 0.125 1.00 0.00 H new ATOM 0 HA GLU W 27 -7.947 -1.302 2.997 1.00 0.00 H new ATOM 0 HB2 GLU W 27 -8.379 -3.346 1.574 1.00 0.00 H new ATOM 0 HB3 GLU W 27 -6.842 -3.083 0.773 1.00 0.00 H new ATOM 0 HG2 GLU W 27 -6.526 -4.777 2.444 1.00 0.00 H new ATOM 0 HG3 GLU W 27 -5.685 -3.335 2.977 1.00 0.00 H new ATOM 424 N SER W 28 -5.394 -0.986 3.182 1.00 0.00 N ATOM 425 CA SER W 28 -3.992 -0.642 3.258 1.00 0.00 C ATOM 426 C SER W 28 -3.153 -1.865 3.627 1.00 0.00 C ATOM 427 O SER W 28 -3.607 -2.752 4.350 1.00 0.00 O ATOM 428 CB SER W 28 -3.785 0.494 4.247 1.00 0.00 C ATOM 429 OG SER W 28 -4.471 1.661 3.824 1.00 0.00 O ATOM 0 H SER W 28 -5.800 -1.319 4.057 1.00 0.00 H new ATOM 0 HA SER W 28 -3.659 -0.302 2.277 1.00 0.00 H new ATOM 0 HB2 SER W 28 -4.142 0.194 5.232 1.00 0.00 H new ATOM 0 HB3 SER W 28 -2.721 0.708 4.345 1.00 0.00 H new ATOM 0 HG SER W 28 -3.826 2.385 3.678 1.00 0.00 H new ATOM 435 N THR W 29 -1.929 -1.896 3.129 1.00 0.00 N ATOM 436 CA THR W 29 -1.003 -2.982 3.398 1.00 0.00 C ATOM 437 C THR W 29 0.402 -2.447 3.614 1.00 0.00 C ATOM 438 O THR W 29 0.930 -1.722 2.777 1.00 0.00 O ATOM 439 CB THR W 29 -0.969 -3.979 2.227 1.00 0.00 C ATOM 440 OG1 THR W 29 -1.111 -3.285 0.985 1.00 0.00 O ATOM 441 CG2 THR W 29 -2.075 -4.988 2.356 1.00 0.00 C ATOM 0 H THR W 29 -1.549 -1.167 2.525 1.00 0.00 H new ATOM 0 HA THR W 29 -1.350 -3.488 4.299 1.00 0.00 H new ATOM 0 HB THR W 29 -0.010 -4.496 2.251 1.00 0.00 H new ATOM 0 HG1 THR W 29 -1.015 -2.321 1.136 1.00 0.00 H new ATOM 0 HG21 THR W 29 -2.033 -5.683 1.518 1.00 0.00 H new ATOM 0 HG22 THR W 29 -1.959 -5.538 3.290 1.00 0.00 H new ATOM 0 HG23 THR W 29 -3.037 -4.476 2.354 1.00 0.00 H new ATOM 449 N TRP W 30 1.004 -2.814 4.732 1.00 0.00 N ATOM 450 CA TRP W 30 2.331 -2.315 5.063 1.00 0.00 C ATOM 451 C TRP W 30 3.374 -2.942 4.161 1.00 0.00 C ATOM 452 O TRP W 30 4.188 -2.248 3.549 1.00 0.00 O ATOM 453 CB TRP W 30 2.686 -2.566 6.536 1.00 0.00 C ATOM 454 CG TRP W 30 2.509 -1.348 7.385 1.00 0.00 C ATOM 455 CD1 TRP W 30 1.477 -1.082 8.235 1.00 0.00 C ATOM 456 CD2 TRP W 30 3.387 -0.219 7.450 1.00 0.00 C ATOM 457 NE1 TRP W 30 1.653 0.148 8.820 1.00 0.00 N ATOM 458 CE2 TRP W 30 2.817 0.702 8.351 1.00 0.00 C ATOM 459 CE3 TRP W 30 4.598 0.106 6.828 1.00 0.00 C ATOM 460 CZ2 TRP W 30 3.413 1.930 8.636 1.00 0.00 C ATOM 461 CZ3 TRP W 30 5.190 1.319 7.120 1.00 0.00 C ATOM 462 CH2 TRP W 30 4.595 2.220 8.012 1.00 0.00 C ATOM 0 H TRP W 30 0.602 -3.449 5.421 1.00 0.00 H new ATOM 0 HA TRP W 30 2.321 -1.237 4.903 1.00 0.00 H new ATOM 0 HB2 TRP W 30 2.061 -3.370 6.925 1.00 0.00 H new ATOM 0 HB3 TRP W 30 3.720 -2.905 6.604 1.00 0.00 H new ATOM 0 HD1 TRP W 30 0.643 -1.742 8.421 1.00 0.00 H new ATOM 0 HE1 TRP W 30 1.021 0.580 9.494 1.00 0.00 H new ATOM 0 HE3 TRP W 30 5.061 -0.579 6.133 1.00 0.00 H new ATOM 0 HZ2 TRP W 30 2.958 2.627 9.324 1.00 0.00 H new ATOM 0 HZ3 TRP W 30 6.128 1.577 6.652 1.00 0.00 H new ATOM 0 HH2 TRP W 30 5.080 3.164 8.211 1.00 0.00 H new ATOM 473 N GLU W 31 3.376 -4.256 4.109 1.00 0.00 N ATOM 474 CA GLU W 31 4.287 -4.967 3.244 1.00 0.00 C ATOM 475 C GLU W 31 3.587 -5.612 2.066 1.00 0.00 C ATOM 476 O GLU W 31 2.396 -5.395 1.833 1.00 0.00 O ATOM 477 CB GLU W 31 5.043 -6.017 4.020 1.00 0.00 C ATOM 478 CG GLU W 31 6.473 -5.614 4.279 1.00 0.00 C ATOM 479 CD GLU W 31 7.364 -5.864 3.081 1.00 0.00 C ATOM 480 OE1 GLU W 31 7.877 -6.992 2.944 1.00 0.00 O ATOM 481 OE2 GLU W 31 7.543 -4.932 2.268 1.00 0.00 O ATOM 0 H GLU W 31 2.756 -4.853 4.657 1.00 0.00 H new ATOM 0 HA GLU W 31 4.983 -4.227 2.849 1.00 0.00 H new ATOM 0 HB2 GLU W 31 4.540 -6.197 4.970 1.00 0.00 H new ATOM 0 HB3 GLU W 31 5.026 -6.957 3.468 1.00 0.00 H new ATOM 0 HG2 GLU W 31 6.509 -4.557 4.542 1.00 0.00 H new ATOM 0 HG3 GLU W 31 6.855 -6.169 5.136 1.00 0.00 H new ATOM 488 N LYS W 32 4.363 -6.412 1.340 1.00 0.00 N ATOM 489 CA LYS W 32 3.881 -7.139 0.181 1.00 0.00 C ATOM 490 C LYS W 32 2.653 -7.968 0.543 1.00 0.00 C ATOM 491 O LYS W 32 2.735 -8.898 1.351 1.00 0.00 O ATOM 492 CB LYS W 32 4.999 -8.029 -0.372 1.00 0.00 C ATOM 493 CG LYS W 32 6.244 -7.247 -0.772 1.00 0.00 C ATOM 494 CD LYS W 32 7.327 -8.144 -1.353 1.00 0.00 C ATOM 495 CE LYS W 32 7.992 -9.007 -0.294 1.00 0.00 C ATOM 496 NZ LYS W 32 8.747 -8.197 0.702 1.00 0.00 N ATOM 0 H LYS W 32 5.349 -6.572 1.545 1.00 0.00 H new ATOM 0 HA LYS W 32 3.588 -6.427 -0.591 1.00 0.00 H new ATOM 0 HB2 LYS W 32 5.269 -8.771 0.379 1.00 0.00 H new ATOM 0 HB3 LYS W 32 4.626 -8.574 -1.239 1.00 0.00 H new ATOM 0 HG2 LYS W 32 5.973 -6.487 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS W 32 6.637 -6.724 0.100 1.00 0.00 H new ATOM 0 HD2 LYS W 32 6.892 -8.785 -2.120 1.00 0.00 H new ATOM 0 HD3 LYS W 32 8.081 -7.528 -1.843 1.00 0.00 H new ATOM 0 HE2 LYS W 32 7.233 -9.596 0.220 1.00 0.00 H new ATOM 0 HE3 LYS W 32 8.670 -9.711 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS W 32 9.588 -8.724 1.012 1.00 0.00 H new ATOM 0 HZ2 LYS W 32 9.042 -7.299 0.268 1.00 0.00 H new ATOM 0 HZ3 LYS W 32 8.139 -8.001 1.523 1.00 0.00 H new ATOM 510 N PRO W 33 1.498 -7.605 -0.038 1.00 0.00 N ATOM 511 CA PRO W 33 0.207 -8.250 0.229 1.00 0.00 C ATOM 512 C PRO W 33 0.263 -9.775 0.152 1.00 0.00 C ATOM 513 O PRO W 33 1.059 -10.348 -0.594 1.00 0.00 O ATOM 514 CB PRO W 33 -0.684 -7.699 -0.887 1.00 0.00 C ATOM 515 CG PRO W 33 -0.118 -6.358 -1.176 1.00 0.00 C ATOM 516 CD PRO W 33 1.365 -6.503 -1.010 1.00 0.00 C ATOM 0 HA PRO W 33 -0.144 -8.041 1.240 1.00 0.00 H new ATOM 0 HB2 PRO W 33 -0.660 -8.340 -1.769 1.00 0.00 H new ATOM 0 HB3 PRO W 33 -1.725 -7.632 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO W 33 -0.370 -6.036 -2.186 1.00 0.00 H new ATOM 0 HG3 PRO W 33 -0.518 -5.608 -0.493 1.00 0.00 H new ATOM 0 HD2 PRO W 33 1.853 -6.741 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO W 33 1.819 -5.584 -0.639 1.00 0.00 H new ATOM 524 N GLN W 34 -0.608 -10.427 0.911 1.00 0.00 N ATOM 525 CA GLN W 34 -0.695 -11.888 0.894 1.00 0.00 C ATOM 526 C GLN W 34 -1.155 -12.372 -0.479 1.00 0.00 C ATOM 527 O GLN W 34 -0.912 -13.515 -0.868 1.00 0.00 O ATOM 528 CB GLN W 34 -1.662 -12.377 1.975 1.00 0.00 C ATOM 529 CG GLN W 34 -1.280 -11.937 3.380 1.00 0.00 C ATOM 530 CD GLN W 34 0.012 -12.561 3.864 1.00 0.00 C ATOM 531 OE1 GLN W 34 0.004 -13.621 4.488 1.00 0.00 O ATOM 532 NE2 GLN W 34 1.130 -11.916 3.576 1.00 0.00 N ATOM 0 H GLN W 34 -1.264 -9.972 1.546 1.00 0.00 H new ATOM 0 HA GLN W 34 0.294 -12.297 1.099 1.00 0.00 H new ATOM 0 HB2 GLN W 34 -2.663 -12.010 1.748 1.00 0.00 H new ATOM 0 HB3 GLN W 34 -1.707 -13.466 1.944 1.00 0.00 H new ATOM 0 HG2 GLN W 34 -1.183 -10.852 3.401 1.00 0.00 H new ATOM 0 HG3 GLN W 34 -2.084 -12.199 4.068 1.00 0.00 H new ATOM 0 HE21 GLN W 34 1.093 -11.039 3.056 1.00 0.00 H new ATOM 0 HE22 GLN W 34 2.029 -12.295 3.874 1.00 0.00 H new ATOM 541 N GLU W 35 -1.811 -11.476 -1.209 1.00 0.00 N ATOM 542 CA GLU W 35 -2.275 -11.757 -2.561 1.00 0.00 C ATOM 543 C GLU W 35 -1.353 -11.110 -3.594 1.00 0.00 C ATOM 544 O GLU W 35 -1.686 -11.035 -4.776 1.00 0.00 O ATOM 545 CB GLU W 35 -3.709 -11.254 -2.740 1.00 0.00 C ATOM 546 CG GLU W 35 -4.735 -12.022 -1.922 1.00 0.00 C ATOM 547 CD GLU W 35 -4.959 -13.435 -2.430 1.00 0.00 C ATOM 548 OE1 GLU W 35 -4.060 -14.286 -2.260 1.00 0.00 O ATOM 549 OE2 GLU W 35 -6.043 -13.707 -2.991 1.00 0.00 O ATOM 0 H GLU W 35 -2.035 -10.537 -0.880 1.00 0.00 H new ATOM 0 HA GLU W 35 -2.257 -12.836 -2.715 1.00 0.00 H new ATOM 0 HB2 GLU W 35 -3.752 -10.201 -2.463 1.00 0.00 H new ATOM 0 HB3 GLU W 35 -3.977 -11.317 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU W 35 -4.407 -12.063 -0.883 1.00 0.00 H new ATOM 0 HG3 GLU W 35 -5.682 -11.482 -1.937 1.00 0.00 H new ATOM 556 N LEU W 36 -0.193 -10.639 -3.143 1.00 0.00 N ATOM 557 CA LEU W 36 0.814 -10.107 -4.053 1.00 0.00 C ATOM 558 C LEU W 36 1.498 -11.269 -4.747 1.00 0.00 C ATOM 559 O LEU W 36 2.419 -11.884 -4.196 1.00 0.00 O ATOM 560 CB LEU W 36 1.835 -9.254 -3.314 1.00 0.00 C ATOM 561 CG LEU W 36 2.587 -8.232 -4.151 1.00 0.00 C ATOM 562 CD1 LEU W 36 3.417 -8.904 -5.206 1.00 0.00 C ATOM 563 CD2 LEU W 36 1.647 -7.207 -4.767 1.00 0.00 C ATOM 0 H LEU W 36 0.071 -10.615 -2.158 1.00 0.00 H new ATOM 0 HA LEU W 36 0.328 -9.464 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU W 36 1.323 -8.727 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU W 36 2.563 -9.918 -2.848 1.00 0.00 H new ATOM 0 HG LEU W 36 3.260 -7.696 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU W 36 3.944 -8.149 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU W 36 4.141 -9.567 -4.732 1.00 0.00 H new ATOM 0 HD13 LEU W 36 2.770 -9.484 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU W 36 2.223 -6.494 -5.358 1.00 0.00 H new ATOM 0 HD22 LEU W 36 0.927 -7.714 -5.410 1.00 0.00 H new ATOM 0 HD23 LEU W 36 1.117 -6.678 -3.975 1.00 0.00 H new ATOM 622 N PRO P 103 -0.511 13.312 -4.689 1.00 0.00 N ATOM 623 CA PRO P 103 -1.374 12.922 -3.575 1.00 0.00 C ATOM 624 C PRO P 103 -0.580 12.611 -2.306 1.00 0.00 C ATOM 625 O PRO P 103 0.552 12.127 -2.373 1.00 0.00 O ATOM 626 CB PRO P 103 -2.049 11.653 -4.095 1.00 0.00 C ATOM 627 CG PRO P 103 -1.079 11.069 -5.067 1.00 0.00 C ATOM 628 CD PRO P 103 -0.322 12.223 -5.664 1.00 0.00 C ATOM 0 HA PRO P 103 -2.066 13.716 -3.293 1.00 0.00 H new ATOM 0 HB2 PRO P 103 -2.261 10.958 -3.283 1.00 0.00 H new ATOM 0 HB3 PRO P 103 -3.000 11.881 -4.576 1.00 0.00 H new ATOM 0 HG2 PRO P 103 -0.400 10.377 -4.569 1.00 0.00 H new ATOM 0 HG3 PRO P 103 -1.599 10.504 -5.841 1.00 0.00 H new ATOM 0 HD2 PRO P 103 0.733 11.983 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO P 103 -0.713 12.493 -6.645 1.00 0.00 H new ATOM 636 N LEU P 104 -1.164 12.902 -1.153 1.00 0.00 N ATOM 637 CA LEU P 104 -0.560 12.520 0.114 1.00 0.00 C ATOM 638 C LEU P 104 -0.855 11.053 0.373 1.00 0.00 C ATOM 639 O LEU P 104 -1.914 10.559 -0.023 1.00 0.00 O ATOM 640 CB LEU P 104 -1.099 13.373 1.273 1.00 0.00 C ATOM 641 CG LEU P 104 -0.793 14.881 1.217 1.00 0.00 C ATOM 642 CD1 LEU P 104 0.686 15.130 0.967 1.00 0.00 C ATOM 643 CD2 LEU P 104 -1.641 15.588 0.167 1.00 0.00 C ATOM 0 H LEU P 104 -2.051 13.399 -1.069 1.00 0.00 H new ATOM 0 HA LEU P 104 0.516 12.686 0.054 1.00 0.00 H new ATOM 0 HB2 LEU P 104 -2.181 13.246 1.316 1.00 0.00 H new ATOM 0 HB3 LEU P 104 -0.694 12.977 2.205 1.00 0.00 H new ATOM 0 HG LEU P 104 -1.052 15.299 2.190 1.00 0.00 H new ATOM 0 HD11 LEU P 104 0.873 16.203 0.932 1.00 0.00 H new ATOM 0 HD12 LEU P 104 1.271 14.685 1.772 1.00 0.00 H new ATOM 0 HD13 LEU P 104 0.975 14.680 0.017 1.00 0.00 H new ATOM 0 HD21 LEU P 104 -1.397 16.650 0.157 1.00 0.00 H new ATOM 0 HD22 LEU P 104 -1.437 15.160 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU P 104 -2.697 15.461 0.406 1.00 0.00 H new ATOM 655 N ILE P 105 0.056 10.353 1.025 1.00 0.00 N ATOM 656 CA ILE P 105 -0.194 8.962 1.360 1.00 0.00 C ATOM 657 C ILE P 105 -1.080 8.902 2.597 1.00 0.00 C ATOM 658 O ILE P 105 -1.003 9.774 3.467 1.00 0.00 O ATOM 659 CB ILE P 105 1.119 8.119 1.581 1.00 0.00 C ATOM 660 CG1 ILE P 105 2.201 8.518 0.561 1.00 0.00 C ATOM 661 CG2 ILE P 105 0.828 6.637 1.451 1.00 0.00 C ATOM 662 CD1 ILE P 105 2.947 9.787 0.892 1.00 0.00 C ATOM 0 H ILE P 105 0.960 10.716 1.329 1.00 0.00 H new ATOM 0 HA ILE P 105 -0.695 8.508 0.505 1.00 0.00 H new ATOM 0 HB ILE P 105 1.484 8.327 2.587 1.00 0.00 H new ATOM 0 HG12 ILE P 105 2.919 7.703 0.477 1.00 0.00 H new ATOM 0 HG13 ILE P 105 1.734 8.633 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE P 105 1.746 6.071 1.607 1.00 0.00 H new ATOM 0 HG22 ILE P 105 0.090 6.344 2.198 1.00 0.00 H new ATOM 0 HG23 ILE P 105 0.438 6.429 0.455 1.00 0.00 H new ATOM 0 HD11 ILE P 105 3.687 9.986 0.117 1.00 0.00 H new ATOM 0 HD12 ILE P 105 2.244 10.619 0.945 1.00 0.00 H new ATOM 0 HD13 ILE P 105 3.449 9.674 1.853 1.00 0.00 H new ATOM 674 N PRO P 106 -1.940 7.888 2.681 1.00 0.00 N ATOM 675 CA PRO P 106 -2.617 7.535 3.925 1.00 0.00 C ATOM 676 C PRO P 106 -1.606 6.845 4.810 1.00 0.00 C ATOM 677 O PRO P 106 -0.666 6.277 4.290 1.00 0.00 O ATOM 678 CB PRO P 106 -3.684 6.522 3.473 1.00 0.00 C ATOM 679 CG PRO P 106 -3.134 5.942 2.221 1.00 0.00 C ATOM 680 CD PRO P 106 -2.376 7.048 1.554 1.00 0.00 C ATOM 0 HA PRO P 106 -3.043 8.380 4.467 1.00 0.00 H new ATOM 0 HB2 PRO P 106 -3.848 5.754 4.229 1.00 0.00 H new ATOM 0 HB3 PRO P 106 -4.644 7.007 3.298 1.00 0.00 H new ATOM 0 HG2 PRO P 106 -2.481 5.096 2.436 1.00 0.00 H new ATOM 0 HG3 PRO P 106 -3.933 5.573 1.578 1.00 0.00 H new ATOM 0 HD2 PRO P 106 -1.528 6.668 0.984 1.00 0.00 H new ATOM 0 HD3 PRO P 106 -3.004 7.604 0.858 1.00 0.00 H new ATOM 688 N PRO P 107 -1.689 6.918 6.132 1.00 0.00 N ATOM 689 CA PRO P 107 -0.784 6.119 6.930 1.00 0.00 C ATOM 690 C PRO P 107 -1.274 4.681 6.929 1.00 0.00 C ATOM 691 O PRO P 107 -2.484 4.441 6.952 1.00 0.00 O ATOM 692 CB PRO P 107 -0.898 6.735 8.336 1.00 0.00 C ATOM 693 CG PRO P 107 -1.793 7.935 8.197 1.00 0.00 C ATOM 694 CD PRO P 107 -2.587 7.742 6.934 1.00 0.00 C ATOM 0 HA PRO P 107 0.244 6.113 6.567 1.00 0.00 H new ATOM 0 HB2 PRO P 107 -1.316 6.018 9.043 1.00 0.00 H new ATOM 0 HB3 PRO P 107 0.082 7.023 8.716 1.00 0.00 H new ATOM 0 HG2 PRO P 107 -2.454 8.026 9.059 1.00 0.00 H new ATOM 0 HG3 PRO P 107 -1.205 8.852 8.148 1.00 0.00 H new ATOM 0 HD2 PRO P 107 -3.538 7.244 7.122 1.00 0.00 H new ATOM 0 HD3 PRO P 107 -2.815 8.690 6.447 1.00 0.00 H new ATOM 702 N PRO P 108 -0.369 3.697 6.904 1.00 0.00 N ATOM 703 CA PRO P 108 -0.771 2.303 6.923 1.00 0.00 C ATOM 704 C PRO P 108 -1.114 1.809 8.326 1.00 0.00 C ATOM 705 O PRO P 108 -0.545 2.269 9.323 1.00 0.00 O ATOM 706 CB PRO P 108 0.431 1.551 6.340 1.00 0.00 C ATOM 707 CG PRO P 108 1.491 2.574 6.099 1.00 0.00 C ATOM 708 CD PRO P 108 1.092 3.832 6.803 1.00 0.00 C ATOM 0 HA PRO P 108 -1.684 2.143 6.349 1.00 0.00 H new ATOM 0 HB2 PRO P 108 0.781 0.784 7.031 1.00 0.00 H new ATOM 0 HB3 PRO P 108 0.161 1.046 5.413 1.00 0.00 H new ATOM 0 HG2 PRO P 108 2.453 2.220 6.469 1.00 0.00 H new ATOM 0 HG3 PRO P 108 1.608 2.756 5.031 1.00 0.00 H new ATOM 0 HD2 PRO P 108 1.560 3.913 7.784 1.00 0.00 H new ATOM 0 HD3 PRO P 108 1.379 4.720 6.239 1.00 0.00 H new ATOM 716 N PRO P 109 -2.058 0.867 8.396 1.00 0.00 N ATOM 717 CA PRO P 109 -2.434 0.188 9.636 1.00 0.00 C ATOM 718 C PRO P 109 -1.411 -0.874 10.036 1.00 0.00 C ATOM 719 O PRO P 109 -0.456 -0.534 10.759 1.00 0.00 O ATOM 720 CB PRO P 109 -3.774 -0.467 9.282 1.00 0.00 C ATOM 721 CG PRO P 109 -3.721 -0.670 7.802 1.00 0.00 C ATOM 722 CD PRO P 109 -2.875 0.434 7.255 1.00 0.00 C ATOM 723 OXT PRO P 109 -1.558 -2.041 9.615 1.00 0.00 O ATOM 0 HA PRO P 109 -2.488 0.871 10.484 1.00 0.00 H new ATOM 0 HB2 PRO P 109 -3.902 -1.414 9.807 1.00 0.00 H new ATOM 0 HB3 PRO P 109 -4.612 0.170 9.564 1.00 0.00 H new ATOM 0 HG2 PRO P 109 -3.295 -1.643 7.558 1.00 0.00 H new ATOM 0 HG3 PRO P 109 -4.721 -0.643 7.370 1.00 0.00 H new ATOM 0 HD2 PRO P 109 -2.253 0.087 6.430 1.00 0.00 H new ATOM 0 HD3 PRO P 109 -3.487 1.251 6.871 1.00 0.00 H new