USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 585 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 83 LYS NZ :NH3+ 172:sc= 0.667 (180deg=0.419) USER MOD Set 1.2: A 84 TYR OH : rot 121:sc= 2.08 USER MOD Single : A 2 SER OG : rot -28:sc= 0.0678 USER MOD Single : A 3 GLN : amide:sc= -0.0789 X(o=-0.079,f=-0.079) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 28 TYR OH : rot 52:sc= 0.116 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.37) USER MOD Single : A 35 THR OG1 : rot 95:sc= 0.899 USER MOD Single : A 39 ASN : amide:sc= -0.656 K(o=-0.66,f=-2.6) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 120:sc= -0.868 USER MOD Single : A 66 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.009) USER MOD Single : A 71 LYS NZ :NH3+ 154:sc= 1.04 (180deg=0.177) USER MOD Single : A 73 TYR OH : rot 15:sc= -0.0167 USER MOD Single : A 79 GLN : amide:sc= -0.0503 X(o=-0.05,f=-0.13) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -39:sc= 0.471 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -9.895 9.346 0.787 1.00 0.00 N ATOM 20 CA SER A 2 -8.934 8.875 1.734 1.00 0.00 C ATOM 21 C SER A 2 -9.511 8.085 2.858 1.00 0.00 C ATOM 22 O SER A 2 -8.863 7.213 3.435 1.00 0.00 O ATOM 23 CB SER A 2 -8.163 10.055 2.351 1.00 0.00 C ATOM 24 OG SER A 2 -9.024 11.009 2.955 1.00 0.00 O ATOM 0 HA SER A 2 -8.283 8.215 1.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.463 9.678 3.097 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.571 10.543 1.577 1.00 0.00 H new ATOM 0 HG SER A 2 -9.894 10.996 2.505 1.00 0.00 H new ATOM 30 N GLN A 3 -10.779 8.352 3.219 1.00 0.00 N ATOM 31 CA GLN A 3 -11.498 7.568 4.175 1.00 0.00 C ATOM 32 C GLN A 3 -11.744 6.165 3.736 1.00 0.00 C ATOM 33 O GLN A 3 -11.457 5.209 4.455 1.00 0.00 O ATOM 34 CB GLN A 3 -12.830 8.237 4.555 1.00 0.00 C ATOM 35 CG GLN A 3 -12.666 9.547 5.329 1.00 0.00 C ATOM 36 CD GLN A 3 -11.995 9.316 6.675 1.00 0.00 C ATOM 37 OE1 GLN A 3 -10.808 9.588 6.853 1.00 0.00 O ATOM 38 NE2 GLN A 3 -12.767 8.781 7.659 1.00 0.00 N ATOM 0 H GLN A 3 -11.317 9.130 2.838 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.852 7.517 5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.400 8.432 3.646 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -13.416 7.542 5.156 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -12.073 10.247 4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -13.643 10.006 5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.748 8.567 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.365 8.594 8.578 1.00 0.00 H new ATOM 47 N LEU A 4 -12.227 5.994 2.492 1.00 0.00 N ATOM 48 CA LEU A 4 -12.520 4.754 1.844 1.00 0.00 C ATOM 49 C LEU A 4 -11.312 3.884 1.794 1.00 0.00 C ATOM 50 O LEU A 4 -11.319 2.712 2.171 1.00 0.00 O ATOM 51 CB LEU A 4 -12.890 4.983 0.369 1.00 0.00 C ATOM 52 CG LEU A 4 -13.142 3.692 -0.427 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.310 2.860 0.129 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.422 4.073 -1.891 1.00 0.00 C ATOM 0 H LEU A 4 -12.429 6.793 1.890 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.334 4.300 2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.784 5.605 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.088 5.542 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.253 3.067 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.437 1.962 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -14.096 2.576 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.225 3.451 0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.604 3.170 -2.474 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.300 4.718 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.561 4.602 -2.300 1.00 0.00 H new ATOM 66 N PHE A 5 -10.217 4.520 1.341 1.00 0.00 N ATOM 67 CA PHE A 5 -8.882 4.015 1.266 1.00 0.00 C ATOM 68 C PHE A 5 -8.481 3.316 2.519 1.00 0.00 C ATOM 69 O PHE A 5 -7.945 2.209 2.482 1.00 0.00 O ATOM 70 CB PHE A 5 -8.012 5.206 0.831 1.00 0.00 C ATOM 71 CG PHE A 5 -6.567 5.093 1.178 1.00 0.00 C ATOM 72 CD1 PHE A 5 -6.136 5.438 2.438 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.674 4.553 0.283 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.858 5.142 2.848 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.395 4.245 0.683 1.00 0.00 C ATOM 76 CZ PHE A 5 -4.002 4.518 1.973 1.00 0.00 C ATOM 0 H PHE A 5 -10.275 5.478 0.995 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.762 3.221 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.102 5.327 -0.249 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.410 6.112 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.809 5.947 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.978 4.370 -0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.531 5.397 3.845 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.703 3.792 -0.011 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.011 4.239 2.301 1.00 0.00 H new ATOM 86 N GLU A 6 -8.790 3.886 3.697 1.00 0.00 N ATOM 87 CA GLU A 6 -8.425 3.307 4.952 1.00 0.00 C ATOM 88 C GLU A 6 -9.300 2.181 5.383 1.00 0.00 C ATOM 89 O GLU A 6 -8.814 1.238 6.007 1.00 0.00 O ATOM 90 CB GLU A 6 -8.302 4.337 6.088 1.00 0.00 C ATOM 91 CG GLU A 6 -6.908 4.967 6.104 1.00 0.00 C ATOM 92 CD GLU A 6 -6.638 5.770 7.368 1.00 0.00 C ATOM 93 OE1 GLU A 6 -7.325 6.795 7.623 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.712 5.368 8.123 1.00 0.00 O ATOM 0 H GLU A 6 -9.302 4.764 3.779 1.00 0.00 H new ATOM 0 HA GLU A 6 -7.435 2.893 4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.056 5.115 5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.498 3.854 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -6.158 4.181 6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.798 5.617 5.236 1.00 0.00 H new ATOM 101 N GLU A 7 -10.603 2.191 5.048 1.00 0.00 N ATOM 102 CA GLU A 7 -11.490 1.099 5.303 1.00 0.00 C ATOM 103 C GLU A 7 -11.031 -0.134 4.604 1.00 0.00 C ATOM 104 O GLU A 7 -10.881 -1.219 5.163 1.00 0.00 O ATOM 105 CB GLU A 7 -12.917 1.345 4.785 1.00 0.00 C ATOM 106 CG GLU A 7 -13.544 2.700 5.119 1.00 0.00 C ATOM 107 CD GLU A 7 -14.431 2.710 6.355 1.00 0.00 C ATOM 108 OE1 GLU A 7 -13.921 2.484 7.485 1.00 0.00 O ATOM 109 OE2 GLU A 7 -15.650 2.995 6.205 1.00 0.00 O ATOM 0 H GLU A 7 -11.052 2.982 4.586 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.491 0.993 6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.910 1.231 3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.563 0.563 5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.745 3.429 5.257 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.134 3.031 4.264 1.00 0.00 H new ATOM 116 N LYS A 8 -10.791 0.036 3.292 1.00 0.00 N ATOM 117 CA LYS A 8 -10.577 -1.043 2.378 1.00 0.00 C ATOM 118 C LYS A 8 -9.151 -1.457 2.267 1.00 0.00 C ATOM 119 O LYS A 8 -8.876 -2.607 1.927 1.00 0.00 O ATOM 120 CB LYS A 8 -11.205 -0.700 1.015 1.00 0.00 C ATOM 121 CG LYS A 8 -12.665 -0.241 1.060 1.00 0.00 C ATOM 122 CD LYS A 8 -13.638 -1.236 1.694 1.00 0.00 C ATOM 123 CE LYS A 8 -15.042 -0.665 1.904 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.947 -1.702 2.448 1.00 0.00 N ATOM 0 H LYS A 8 -10.744 0.955 2.852 1.00 0.00 H new ATOM 0 HA LYS A 8 -11.080 -1.922 2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.610 0.084 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.138 -1.578 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.718 0.697 1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.995 -0.031 0.043 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.705 -2.121 1.061 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.239 -1.561 2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.998 0.183 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.434 -0.291 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.896 -1.298 2.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -16.003 -2.499 1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.580 -2.039 3.361 1.00 0.00 H new ATOM 138 N ALA A 9 -8.162 -0.606 2.595 1.00 0.00 N ATOM 139 CA ALA A 9 -6.784 -0.989 2.586 1.00 0.00 C ATOM 140 C ALA A 9 -6.441 -1.997 3.626 1.00 0.00 C ATOM 141 O ALA A 9 -5.786 -3.017 3.414 1.00 0.00 O ATOM 142 CB ALA A 9 -5.857 0.200 2.886 1.00 0.00 C ATOM 0 H ALA A 9 -8.321 0.363 2.871 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.639 -1.394 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.820 -0.134 2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.001 0.973 2.131 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.092 0.605 3.870 1.00 0.00 H new ATOM 148 N LYS A 10 -6.926 -1.704 4.846 1.00 0.00 N ATOM 149 CA LYS A 10 -6.832 -2.530 6.011 1.00 0.00 C ATOM 150 C LYS A 10 -7.585 -3.810 5.886 1.00 0.00 C ATOM 151 O LYS A 10 -7.272 -4.784 6.568 1.00 0.00 O ATOM 152 CB LYS A 10 -7.389 -1.655 7.146 1.00 0.00 C ATOM 153 CG LYS A 10 -6.371 -0.658 7.706 1.00 0.00 C ATOM 154 CD LYS A 10 -5.333 -1.308 8.624 1.00 0.00 C ATOM 155 CE LYS A 10 -4.468 -0.277 9.352 1.00 0.00 C ATOM 156 NZ LYS A 10 -3.503 -0.947 10.251 1.00 0.00 N ATOM 0 H LYS A 10 -7.418 -0.830 5.031 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.804 -2.847 6.187 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.257 -1.108 6.779 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.736 -2.299 7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.858 -0.168 6.878 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.899 0.119 8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.842 -1.933 9.357 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.692 -1.964 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.932 0.334 8.625 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.103 0.396 9.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.925 -0.231 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.019 -1.511 10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.885 -1.571 9.694 1.00 0.00 H new ATOM 170 N ALA A 11 -8.562 -3.880 4.965 1.00 0.00 N ATOM 171 CA ALA A 11 -9.194 -5.098 4.563 1.00 0.00 C ATOM 172 C ALA A 11 -8.275 -5.907 3.714 1.00 0.00 C ATOM 173 O ALA A 11 -7.933 -7.035 4.069 1.00 0.00 O ATOM 174 CB ALA A 11 -10.508 -4.832 3.809 1.00 0.00 C ATOM 0 H ALA A 11 -8.925 -3.058 4.482 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.432 -5.658 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.960 -5.781 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.194 -4.286 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.302 -4.241 2.917 1.00 0.00 H new ATOM 180 N VAL A 12 -7.782 -5.382 2.578 1.00 0.00 N ATOM 181 CA VAL A 12 -7.043 -6.136 1.613 1.00 0.00 C ATOM 182 C VAL A 12 -5.744 -6.662 2.121 1.00 0.00 C ATOM 183 O VAL A 12 -5.302 -7.735 1.714 1.00 0.00 O ATOM 184 CB VAL A 12 -6.888 -5.436 0.296 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.294 -5.277 -0.307 1.00 0.00 C ATOM 186 CG2 VAL A 12 -6.161 -4.087 0.421 1.00 0.00 C ATOM 0 H VAL A 12 -7.901 -4.402 2.323 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.667 -7.010 1.426 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.256 -6.032 -0.362 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.222 -4.770 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.743 -6.260 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.915 -4.688 0.368 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.078 -3.626 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.725 -3.430 1.083 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.164 -4.248 0.832 1.00 0.00 H new ATOM 196 N ASN A 13 -5.121 -5.991 3.105 1.00 0.00 N ATOM 197 CA ASN A 13 -3.926 -6.479 3.720 1.00 0.00 C ATOM 198 C ASN A 13 -4.126 -7.657 4.610 1.00 0.00 C ATOM 199 O ASN A 13 -3.168 -8.372 4.904 1.00 0.00 O ATOM 200 CB ASN A 13 -3.205 -5.369 4.503 1.00 0.00 C ATOM 201 CG ASN A 13 -2.393 -4.469 3.582 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.195 -4.676 3.393 1.00 0.00 O ATOM 203 ND2 ASN A 13 -3.034 -3.424 2.992 1.00 0.00 N ATOM 0 H ASN A 13 -5.449 -5.100 3.478 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.309 -6.815 2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.938 -4.770 5.044 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.547 -5.817 5.248 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.521 -2.792 2.378 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.028 -3.273 3.164 1.00 0.00 H new ATOM 210 N GLU A 14 -5.361 -7.926 5.070 1.00 0.00 N ATOM 211 CA GLU A 14 -5.675 -8.926 6.042 1.00 0.00 C ATOM 212 C GLU A 14 -6.745 -9.865 5.605 1.00 0.00 C ATOM 213 O GLU A 14 -7.201 -10.714 6.370 1.00 0.00 O ATOM 214 CB GLU A 14 -6.063 -8.272 7.379 1.00 0.00 C ATOM 215 CG GLU A 14 -4.978 -8.330 8.456 1.00 0.00 C ATOM 216 CD GLU A 14 -4.800 -9.718 9.053 1.00 0.00 C ATOM 217 OE1 GLU A 14 -4.159 -10.585 8.400 1.00 0.00 O ATOM 218 OE2 GLU A 14 -5.289 -9.955 10.189 1.00 0.00 O ATOM 0 H GLU A 14 -6.184 -7.418 4.746 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.770 -9.521 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.320 -7.228 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.961 -8.759 7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.031 -8.002 8.027 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.227 -7.628 9.252 1.00 0.00 H new ATOM 225 N LEU A 15 -7.191 -9.797 4.337 1.00 0.00 N ATOM 226 CA LEU A 15 -8.269 -10.566 3.796 1.00 0.00 C ATOM 227 C LEU A 15 -7.894 -12.004 3.699 1.00 0.00 C ATOM 228 O LEU A 15 -6.705 -12.307 3.614 1.00 0.00 O ATOM 229 CB LEU A 15 -8.645 -9.951 2.438 1.00 0.00 C ATOM 230 CG LEU A 15 -10.111 -9.559 2.184 1.00 0.00 C ATOM 231 CD1 LEU A 15 -10.790 -8.799 3.337 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.189 -8.729 0.892 1.00 0.00 C ATOM 0 H LEU A 15 -6.774 -9.168 3.650 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.141 -10.534 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.036 -9.058 2.300 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.353 -10.659 1.662 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.664 -10.494 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.819 -8.567 3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.784 -9.418 4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -10.249 -7.873 3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.225 -8.446 0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.581 -7.831 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.816 -9.321 0.056 1.00 0.00 H new ATOM 244 N PRO A 16 -8.780 -12.956 3.731 1.00 0.00 N ATOM 245 CA PRO A 16 -8.432 -14.342 3.863 1.00 0.00 C ATOM 246 C PRO A 16 -7.888 -14.897 2.592 1.00 0.00 C ATOM 247 O PRO A 16 -7.246 -15.945 2.593 1.00 0.00 O ATOM 248 CB PRO A 16 -9.769 -14.995 4.208 1.00 0.00 C ATOM 249 CG PRO A 16 -10.818 -14.163 3.454 1.00 0.00 C ATOM 250 CD PRO A 16 -10.194 -12.758 3.455 1.00 0.00 C ATOM 0 HA PRO A 16 -7.654 -14.513 4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.792 -16.039 3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.951 -14.981 5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.979 -14.534 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.785 -14.178 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -10.340 -12.264 2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.656 -12.125 4.213 1.00 0.00 H new ATOM 258 N THR A 17 -8.138 -14.189 1.475 1.00 0.00 N ATOM 259 CA THR A 17 -7.610 -14.433 0.169 1.00 0.00 C ATOM 260 C THR A 17 -6.633 -13.319 0.013 1.00 0.00 C ATOM 261 O THR A 17 -6.907 -12.271 -0.571 1.00 0.00 O ATOM 262 CB THR A 17 -8.685 -14.369 -0.875 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.705 -15.318 -0.599 1.00 0.00 O ATOM 264 CG2 THR A 17 -8.171 -14.702 -2.285 1.00 0.00 C ATOM 0 H THR A 17 -8.760 -13.381 1.489 1.00 0.00 H new ATOM 0 HA THR A 17 -7.167 -15.422 0.053 1.00 0.00 H new ATOM 0 HB THR A 17 -9.053 -13.343 -0.845 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.399 -15.262 -1.288 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.994 -14.639 -2.997 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.393 -13.992 -2.566 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.760 -15.712 -2.294 1.00 0.00 H new ATOM 272 N LYS A 18 -5.459 -13.482 0.648 1.00 0.00 N ATOM 273 CA LYS A 18 -4.417 -12.503 0.697 1.00 0.00 C ATOM 274 C LYS A 18 -3.915 -12.070 -0.637 1.00 0.00 C ATOM 275 O LYS A 18 -4.011 -12.866 -1.569 1.00 0.00 O ATOM 276 CB LYS A 18 -3.268 -12.993 1.595 1.00 0.00 C ATOM 277 CG LYS A 18 -3.685 -13.144 3.058 1.00 0.00 C ATOM 278 CD LYS A 18 -2.528 -13.485 4.000 1.00 0.00 C ATOM 279 CE LYS A 18 -2.937 -13.428 5.473 1.00 0.00 C ATOM 280 NZ LYS A 18 -1.775 -13.636 6.365 1.00 0.00 N ATOM 0 H LYS A 18 -5.225 -14.338 1.152 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.863 -11.609 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.906 -13.952 1.224 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.436 -12.291 1.529 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.150 -12.216 3.391 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.442 -13.924 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.156 -14.483 3.768 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.706 -12.790 3.827 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.394 -12.462 5.688 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.691 -14.189 5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.086 -13.591 7.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.354 -14.568 6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.067 -12.895 6.191 1.00 0.00 H new ATOM 294 N PRO A 19 -3.412 -10.890 -0.849 1.00 0.00 N ATOM 295 CA PRO A 19 -3.232 -10.348 -2.165 1.00 0.00 C ATOM 296 C PRO A 19 -2.247 -11.075 -3.015 1.00 0.00 C ATOM 297 O PRO A 19 -1.281 -11.630 -2.493 1.00 0.00 O ATOM 298 CB PRO A 19 -2.740 -8.921 -1.936 1.00 0.00 C ATOM 299 CG PRO A 19 -3.360 -8.525 -0.586 1.00 0.00 C ATOM 300 CD PRO A 19 -3.282 -9.861 0.170 1.00 0.00 C ATOM 0 HA PRO A 19 -4.173 -10.424 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.651 -8.875 -1.904 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.064 -8.254 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.797 -7.735 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.385 -8.169 -0.691 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.337 -9.955 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -4.077 -9.940 0.911 1.00 0.00 H new ATOM 308 N SER A 20 -2.417 -11.111 -4.348 1.00 0.00 N ATOM 309 CA SER A 20 -1.503 -11.735 -5.254 1.00 0.00 C ATOM 310 C SER A 20 -0.350 -10.852 -5.582 1.00 0.00 C ATOM 311 O SER A 20 -0.409 -9.637 -5.401 1.00 0.00 O ATOM 312 CB SER A 20 -2.212 -12.167 -6.549 1.00 0.00 C ATOM 313 OG SER A 20 -1.412 -13.024 -7.349 1.00 0.00 O ATOM 0 H SER A 20 -3.221 -10.690 -4.813 1.00 0.00 H new ATOM 0 HA SER A 20 -1.118 -12.620 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.143 -12.675 -6.297 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.478 -11.281 -7.126 1.00 0.00 H new ATOM 0 HG SER A 20 -1.906 -13.272 -8.158 1.00 0.00 H new ATOM 319 N THR A 21 0.769 -11.404 -6.084 1.00 0.00 N ATOM 320 CA THR A 21 2.082 -10.839 -6.145 1.00 0.00 C ATOM 321 C THR A 21 2.220 -9.449 -6.663 1.00 0.00 C ATOM 322 O THR A 21 2.704 -8.557 -5.968 1.00 0.00 O ATOM 323 CB THR A 21 3.024 -11.712 -6.919 1.00 0.00 C ATOM 324 OG1 THR A 21 2.931 -13.050 -6.452 1.00 0.00 O ATOM 325 CG2 THR A 21 4.489 -11.290 -6.714 1.00 0.00 C ATOM 0 H THR A 21 0.750 -12.341 -6.487 1.00 0.00 H new ATOM 0 HA THR A 21 2.336 -10.782 -5.086 1.00 0.00 H new ATOM 0 HB THR A 21 2.746 -11.620 -7.969 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.547 -13.618 -6.961 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.141 -11.946 -7.291 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.622 -10.261 -7.049 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.744 -11.363 -5.657 1.00 0.00 H new ATOM 333 N ASP A 22 1.803 -9.194 -7.916 1.00 0.00 N ATOM 334 CA ASP A 22 1.944 -7.937 -8.584 1.00 0.00 C ATOM 335 C ASP A 22 0.912 -6.938 -8.189 1.00 0.00 C ATOM 336 O ASP A 22 1.019 -5.742 -8.456 1.00 0.00 O ATOM 337 CB ASP A 22 1.985 -8.162 -10.104 1.00 0.00 C ATOM 338 CG ASP A 22 0.750 -8.859 -10.656 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.473 -10.019 -10.249 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.068 -8.270 -11.537 1.00 0.00 O ATOM 0 H ASP A 22 1.345 -9.900 -8.492 1.00 0.00 H new ATOM 0 HA ASP A 22 2.890 -7.498 -8.266 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.100 -7.199 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.866 -8.755 -10.350 1.00 0.00 H new ATOM 345 N GLU A 23 -0.135 -7.419 -7.496 1.00 0.00 N ATOM 346 CA GLU A 23 -1.265 -6.674 -7.032 1.00 0.00 C ATOM 347 C GLU A 23 -0.963 -6.140 -5.674 1.00 0.00 C ATOM 348 O GLU A 23 -1.174 -4.959 -5.397 1.00 0.00 O ATOM 349 CB GLU A 23 -2.513 -7.574 -7.060 1.00 0.00 C ATOM 350 CG GLU A 23 -2.886 -7.958 -8.492 1.00 0.00 C ATOM 351 CD GLU A 23 -3.825 -9.153 -8.599 1.00 0.00 C ATOM 352 OE1 GLU A 23 -4.956 -9.123 -8.046 1.00 0.00 O ATOM 353 OE2 GLU A 23 -3.459 -10.134 -9.299 1.00 0.00 O ATOM 0 H GLU A 23 -0.195 -8.405 -7.241 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.472 -5.822 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.328 -8.475 -6.476 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.349 -7.056 -6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.353 -7.100 -8.975 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.973 -8.178 -9.046 1.00 0.00 H new ATOM 360 N LEU A 24 -0.374 -6.963 -4.789 1.00 0.00 N ATOM 361 CA LEU A 24 0.156 -6.658 -3.496 1.00 0.00 C ATOM 362 C LEU A 24 1.138 -5.539 -3.478 1.00 0.00 C ATOM 363 O LEU A 24 1.151 -4.716 -2.565 1.00 0.00 O ATOM 364 CB LEU A 24 0.804 -7.969 -3.017 1.00 0.00 C ATOM 365 CG LEU A 24 1.187 -8.104 -1.533 1.00 0.00 C ATOM 366 CD1 LEU A 24 1.192 -9.601 -1.183 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.578 -7.521 -1.232 1.00 0.00 C ATOM 0 H LEU A 24 -0.258 -7.953 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.642 -6.305 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.120 -8.783 -3.257 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.707 -8.127 -3.607 1.00 0.00 H new ATOM 0 HG LEU A 24 0.463 -7.547 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.461 -9.729 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.200 -10.019 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.919 -10.119 -1.809 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.801 -7.641 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.328 -8.047 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.592 -6.462 -1.488 1.00 0.00 H new ATOM 379 N LEU A 25 1.995 -5.435 -4.511 1.00 0.00 N ATOM 380 CA LEU A 25 2.951 -4.379 -4.640 1.00 0.00 C ATOM 381 C LEU A 25 2.333 -3.081 -5.029 1.00 0.00 C ATOM 382 O LEU A 25 2.672 -2.022 -4.503 1.00 0.00 O ATOM 383 CB LEU A 25 4.116 -4.838 -5.533 1.00 0.00 C ATOM 384 CG LEU A 25 4.080 -4.532 -7.041 1.00 0.00 C ATOM 385 CD1 LEU A 25 4.553 -3.105 -7.365 1.00 0.00 C ATOM 386 CD2 LEU A 25 4.982 -5.539 -7.773 1.00 0.00 C ATOM 0 H LEU A 25 2.023 -6.106 -5.279 1.00 0.00 H new ATOM 0 HA LEU A 25 3.376 -4.164 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.029 -4.397 -5.132 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.208 -5.918 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 25 3.045 -4.616 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.508 -2.942 -8.442 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.908 -2.385 -6.862 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.579 -2.975 -7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.965 -5.332 -8.843 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.003 -5.449 -7.403 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.619 -6.551 -7.593 1.00 0.00 H new ATOM 398 N GLU A 26 1.346 -3.092 -5.941 1.00 0.00 N ATOM 399 CA GLU A 26 0.607 -1.937 -6.347 1.00 0.00 C ATOM 400 C GLU A 26 -0.242 -1.423 -5.235 1.00 0.00 C ATOM 401 O GLU A 26 -0.290 -0.228 -4.950 1.00 0.00 O ATOM 402 CB GLU A 26 -0.218 -2.277 -7.600 1.00 0.00 C ATOM 403 CG GLU A 26 -0.801 -1.066 -8.332 1.00 0.00 C ATOM 404 CD GLU A 26 -1.340 -1.402 -9.714 1.00 0.00 C ATOM 405 OE1 GLU A 26 -1.221 -2.573 -10.166 1.00 0.00 O ATOM 406 OE2 GLU A 26 -1.867 -0.485 -10.397 1.00 0.00 O ATOM 0 H GLU A 26 1.049 -3.944 -6.417 1.00 0.00 H new ATOM 0 HA GLU A 26 1.299 -1.134 -6.600 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.413 -2.834 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.035 -2.938 -7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.603 -0.638 -7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.030 -0.301 -8.426 1.00 0.00 H new ATOM 413 N LEU A 27 -0.863 -2.350 -4.483 1.00 0.00 N ATOM 414 CA LEU A 27 -1.502 -2.108 -3.226 1.00 0.00 C ATOM 415 C LEU A 27 -0.614 -1.487 -2.204 1.00 0.00 C ATOM 416 O LEU A 27 -1.021 -0.500 -1.593 1.00 0.00 O ATOM 417 CB LEU A 27 -2.045 -3.420 -2.635 1.00 0.00 C ATOM 418 CG LEU A 27 -3.395 -3.916 -3.179 1.00 0.00 C ATOM 419 CD1 LEU A 27 -3.581 -5.371 -2.718 1.00 0.00 C ATOM 420 CD2 LEU A 27 -4.533 -3.018 -2.664 1.00 0.00 C ATOM 0 H LEU A 27 -0.922 -3.327 -4.770 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.304 -1.404 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.303 -4.201 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.138 -3.294 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.414 -3.872 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.532 -5.752 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.768 -5.983 -3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.575 -5.411 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.485 -3.377 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.554 -3.046 -1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.367 -1.994 -2.997 1.00 0.00 H new ATOM 432 N TYR A 28 0.611 -1.996 -1.978 1.00 0.00 N ATOM 433 CA TYR A 28 1.604 -1.422 -1.125 1.00 0.00 C ATOM 434 C TYR A 28 1.906 -0.009 -1.492 1.00 0.00 C ATOM 435 O TYR A 28 1.785 0.866 -0.637 1.00 0.00 O ATOM 436 CB TYR A 28 2.883 -2.274 -1.058 1.00 0.00 C ATOM 437 CG TYR A 28 4.078 -1.678 -0.397 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.880 -0.808 -1.097 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.449 -2.016 0.883 1.00 0.00 C ATOM 440 CE1 TYR A 28 6.015 -0.265 -0.543 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.622 -1.545 1.426 1.00 0.00 C ATOM 442 CZ TYR A 28 6.407 -0.669 0.712 1.00 0.00 C ATOM 443 OH TYR A 28 7.622 -0.204 1.257 1.00 0.00 O ATOM 0 H TYR A 28 0.926 -2.861 -2.418 1.00 0.00 H new ATOM 0 HA TYR A 28 1.178 -1.412 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.641 -3.202 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.162 -2.541 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.611 -0.544 -2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.811 -2.660 1.470 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.591 0.469 -1.086 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.927 -1.863 2.412 1.00 0.00 H new ATOM 0 HH TYR A 28 7.652 0.774 1.202 1.00 0.00 H new ATOM 453 N ALA A 29 2.284 0.284 -2.748 1.00 0.00 N ATOM 454 CA ALA A 29 2.660 1.590 -3.191 1.00 0.00 C ATOM 455 C ALA A 29 1.622 2.620 -2.908 1.00 0.00 C ATOM 456 O ALA A 29 1.890 3.633 -2.264 1.00 0.00 O ATOM 457 CB ALA A 29 2.992 1.542 -4.692 1.00 0.00 C ATOM 0 H ALA A 29 2.330 -0.419 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 29 3.543 1.890 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.279 2.537 -5.033 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.816 0.849 -4.860 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.116 1.207 -5.248 1.00 0.00 H new ATOM 463 N LEU A 30 0.360 2.360 -3.295 1.00 0.00 N ATOM 464 CA LEU A 30 -0.719 3.252 -3.004 1.00 0.00 C ATOM 465 C LEU A 30 -1.128 3.320 -1.572 1.00 0.00 C ATOM 466 O LEU A 30 -1.428 4.400 -1.064 1.00 0.00 O ATOM 467 CB LEU A 30 -1.970 2.891 -3.823 1.00 0.00 C ATOM 468 CG LEU A 30 -1.907 3.452 -5.254 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.297 2.466 -6.265 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.338 3.825 -5.677 1.00 0.00 C ATOM 0 H LEU A 30 0.086 1.525 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.319 4.229 -3.274 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.076 1.807 -3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.856 3.279 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.251 4.323 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.282 2.923 -7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.279 2.219 -5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.898 1.557 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.325 4.227 -6.690 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.969 2.937 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.735 4.576 -4.994 1.00 0.00 H new ATOM 482 N TYR A 31 -1.140 2.184 -0.854 1.00 0.00 N ATOM 483 CA TYR A 31 -1.383 2.125 0.554 1.00 0.00 C ATOM 484 C TYR A 31 -0.418 3.006 1.271 1.00 0.00 C ATOM 485 O TYR A 31 -0.785 3.967 1.946 1.00 0.00 O ATOM 486 CB TYR A 31 -1.352 0.705 1.143 1.00 0.00 C ATOM 487 CG TYR A 31 -1.629 0.723 2.606 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.777 1.287 3.109 1.00 0.00 C ATOM 489 CD2 TYR A 31 -0.648 0.318 3.480 1.00 0.00 C ATOM 490 CE1 TYR A 31 -2.991 1.362 4.465 1.00 0.00 C ATOM 491 CE2 TYR A 31 -0.827 0.451 4.836 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.008 0.950 5.335 1.00 0.00 C ATOM 493 OH TYR A 31 -2.178 1.121 6.725 1.00 0.00 O ATOM 0 H TYR A 31 -0.974 1.268 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.403 2.480 0.701 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.091 0.083 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.377 0.254 0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.521 1.677 2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.269 -0.107 3.099 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.927 1.743 4.846 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.037 0.162 5.513 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.391 0.775 7.196 1.00 0.00 H new ATOM 503 N LYS A 32 0.895 2.762 1.108 1.00 0.00 N ATOM 504 CA LYS A 32 1.954 3.550 1.658 1.00 0.00 C ATOM 505 C LYS A 32 1.920 4.978 1.234 1.00 0.00 C ATOM 506 O LYS A 32 2.164 5.852 2.063 1.00 0.00 O ATOM 507 CB LYS A 32 3.309 2.876 1.383 1.00 0.00 C ATOM 508 CG LYS A 32 3.478 1.493 2.017 1.00 0.00 C ATOM 509 CD LYS A 32 3.255 1.420 3.529 1.00 0.00 C ATOM 510 CE LYS A 32 4.061 2.463 4.306 1.00 0.00 C ATOM 511 NZ LYS A 32 3.983 2.219 5.764 1.00 0.00 N ATOM 0 H LYS A 32 1.236 1.971 0.562 1.00 0.00 H new ATOM 0 HA LYS A 32 1.804 3.589 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.441 2.785 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.104 3.527 1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.784 0.805 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.485 1.135 1.800 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.195 1.557 3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.524 0.425 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.102 2.436 3.985 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.684 3.461 4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.538 2.940 6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.991 2.269 6.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.365 1.276 5.979 1.00 0.00 H new ATOM 525 N GLN A 33 1.520 5.286 -0.013 1.00 0.00 N ATOM 526 CA GLN A 33 1.350 6.625 -0.489 1.00 0.00 C ATOM 527 C GLN A 33 0.403 7.424 0.338 1.00 0.00 C ATOM 528 O GLN A 33 0.777 8.460 0.883 1.00 0.00 O ATOM 529 CB GLN A 33 0.851 6.683 -1.943 1.00 0.00 C ATOM 530 CG GLN A 33 1.946 6.817 -3.003 1.00 0.00 C ATOM 531 CD GLN A 33 1.626 6.067 -4.289 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.378 5.227 -4.782 1.00 0.00 O ATOM 533 NE2 GLN A 33 0.455 6.403 -4.891 1.00 0.00 N ATOM 0 H GLN A 33 1.307 4.578 -0.715 1.00 0.00 H new ATOM 0 HA GLN A 33 2.349 7.054 -0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.277 5.780 -2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.167 7.526 -2.042 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.095 7.872 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.886 6.444 -2.596 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.155 7.102 -4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.186 5.956 -5.768 1.00 0.00 H new ATOM 542 N ALA A 34 -0.863 6.997 0.497 1.00 0.00 N ATOM 543 CA ALA A 34 -1.804 7.772 1.243 1.00 0.00 C ATOM 544 C ALA A 34 -1.736 7.531 2.712 1.00 0.00 C ATOM 545 O ALA A 34 -2.229 8.345 3.491 1.00 0.00 O ATOM 546 CB ALA A 34 -3.231 7.643 0.684 1.00 0.00 C ATOM 0 H ALA A 34 -1.231 6.126 0.114 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.508 8.813 1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.912 8.249 1.282 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.250 7.989 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.544 6.600 0.723 1.00 0.00 H new ATOM 552 N THR A 35 -1.080 6.448 3.166 1.00 0.00 N ATOM 553 CA THR A 35 -0.834 6.189 4.552 1.00 0.00 C ATOM 554 C THR A 35 0.115 7.150 5.179 1.00 0.00 C ATOM 555 O THR A 35 -0.260 7.876 6.098 1.00 0.00 O ATOM 556 CB THR A 35 -0.391 4.785 4.842 1.00 0.00 C ATOM 557 OG1 THR A 35 -1.462 3.916 4.503 1.00 0.00 O ATOM 558 CG2 THR A 35 -0.151 4.531 6.340 1.00 0.00 C ATOM 0 H THR A 35 -0.708 5.727 2.547 1.00 0.00 H new ATOM 0 HA THR A 35 -1.814 6.330 5.008 1.00 0.00 H new ATOM 0 HB THR A 35 0.530 4.621 4.283 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.338 3.584 3.589 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.167 3.499 6.488 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.624 5.205 6.704 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.074 4.708 6.892 1.00 0.00 H new ATOM 566 N VAL A 36 1.382 7.228 4.736 1.00 0.00 N ATOM 567 CA VAL A 36 2.292 8.201 5.255 1.00 0.00 C ATOM 568 C VAL A 36 2.208 9.498 4.525 1.00 0.00 C ATOM 569 O VAL A 36 2.271 10.567 5.131 1.00 0.00 O ATOM 570 CB VAL A 36 3.698 7.690 5.368 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.131 6.869 4.142 1.00 0.00 C ATOM 572 CG2 VAL A 36 4.722 8.784 5.713 1.00 0.00 C ATOM 0 H VAL A 36 1.776 6.618 4.019 1.00 0.00 H new ATOM 0 HA VAL A 36 1.971 8.400 6.277 1.00 0.00 H new ATOM 0 HB VAL A 36 3.684 7.009 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.156 6.525 4.278 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.471 6.009 4.029 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.073 7.491 3.249 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.717 8.343 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.714 9.548 4.936 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.462 9.237 6.670 1.00 0.00 H new ATOM 582 N GLY A 37 2.038 9.472 3.191 1.00 0.00 N ATOM 583 CA GLY A 37 1.865 10.662 2.419 1.00 0.00 C ATOM 584 C GLY A 37 2.907 10.839 1.368 1.00 0.00 C ATOM 585 O GLY A 37 2.625 11.252 0.244 1.00 0.00 O ATOM 0 H GLY A 37 2.020 8.613 2.641 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.883 10.641 1.947 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.880 11.525 3.085 1.00 0.00 H new ATOM 589 N ASP A 38 4.164 10.551 1.751 1.00 0.00 N ATOM 590 CA ASP A 38 5.346 10.832 0.997 1.00 0.00 C ATOM 591 C ASP A 38 6.107 9.552 0.939 1.00 0.00 C ATOM 592 O ASP A 38 5.785 8.616 1.668 1.00 0.00 O ATOM 593 CB ASP A 38 6.194 11.845 1.784 1.00 0.00 C ATOM 594 CG ASP A 38 5.402 13.113 2.075 1.00 0.00 C ATOM 595 OD1 ASP A 38 4.988 13.810 1.111 1.00 0.00 O ATOM 596 OD2 ASP A 38 5.207 13.447 3.273 1.00 0.00 O ATOM 0 H ASP A 38 4.366 10.095 2.641 1.00 0.00 H new ATOM 0 HA ASP A 38 5.113 11.225 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.526 11.397 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.090 12.094 1.215 1.00 0.00 H new ATOM 601 N ASN A 39 7.196 9.453 0.155 1.00 0.00 N ATOM 602 CA ASN A 39 8.174 8.447 0.434 1.00 0.00 C ATOM 603 C ASN A 39 8.798 8.573 1.780 1.00 0.00 C ATOM 604 O ASN A 39 9.317 9.621 2.161 1.00 0.00 O ATOM 605 CB ASN A 39 9.249 8.296 -0.656 1.00 0.00 C ATOM 606 CG ASN A 39 10.181 9.494 -0.759 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.756 10.649 -0.810 1.00 0.00 O ATOM 608 ND2 ASN A 39 11.514 9.230 -0.803 1.00 0.00 N ATOM 0 H ASN A 39 7.397 10.049 -0.648 1.00 0.00 H new ATOM 0 HA ASN A 39 7.593 7.525 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.839 7.403 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.760 8.142 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 39 12.183 9.996 -0.880 1.00 0.00 H new ATOM 0 HD22 ASN A 39 11.845 8.266 -0.759 1.00 0.00 H new ATOM 615 N ASP A 40 8.731 7.497 2.585 1.00 0.00 N ATOM 616 CA ASP A 40 9.190 7.493 3.940 1.00 0.00 C ATOM 617 C ASP A 40 10.504 6.802 4.060 1.00 0.00 C ATOM 618 O ASP A 40 11.559 7.434 4.025 1.00 0.00 O ATOM 619 CB ASP A 40 8.085 6.876 4.815 1.00 0.00 C ATOM 620 CG ASP A 40 8.326 7.020 6.311 1.00 0.00 C ATOM 621 OD1 ASP A 40 9.190 7.835 6.731 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.625 6.307 7.077 1.00 0.00 O ATOM 0 H ASP A 40 8.345 6.602 2.284 1.00 0.00 H new ATOM 0 HA ASP A 40 9.375 8.508 4.291 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.133 7.344 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.993 5.817 4.573 1.00 0.00 H new ATOM 627 N LYS A 41 10.510 5.466 4.219 1.00 0.00 N ATOM 628 CA LYS A 41 11.657 4.733 4.655 1.00 0.00 C ATOM 629 C LYS A 41 12.600 4.380 3.556 1.00 0.00 C ATOM 630 O LYS A 41 12.598 3.252 3.064 1.00 0.00 O ATOM 631 CB LYS A 41 11.217 3.433 5.350 1.00 0.00 C ATOM 632 CG LYS A 41 10.233 3.670 6.497 1.00 0.00 C ATOM 633 CD LYS A 41 9.881 2.388 7.253 1.00 0.00 C ATOM 634 CE LYS A 41 9.100 1.388 6.397 1.00 0.00 C ATOM 635 NZ LYS A 41 8.841 0.157 7.176 1.00 0.00 N ATOM 0 H LYS A 41 9.695 4.880 4.039 1.00 0.00 H new ATOM 0 HA LYS A 41 12.187 5.394 5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.757 2.773 4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.097 2.918 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.661 4.391 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.320 4.114 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.798 1.917 7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.292 2.642 8.135 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.157 1.830 6.074 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.665 1.147 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.310 -0.519 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.745 -0.269 7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.285 0.393 8.023 1.00 0.00 H new ATOM 649 N GLU A 42 13.477 5.317 3.156 1.00 0.00 N ATOM 650 CA GLU A 42 14.399 5.197 2.069 1.00 0.00 C ATOM 651 C GLU A 42 15.588 4.356 2.386 1.00 0.00 C ATOM 652 O GLU A 42 16.751 4.642 2.108 1.00 0.00 O ATOM 653 CB GLU A 42 14.760 6.610 1.581 1.00 0.00 C ATOM 654 CG GLU A 42 15.476 6.644 0.230 1.00 0.00 C ATOM 655 CD GLU A 42 15.602 8.050 -0.340 1.00 0.00 C ATOM 656 OE1 GLU A 42 16.333 8.893 0.247 1.00 0.00 O ATOM 657 OE2 GLU A 42 15.006 8.314 -1.418 1.00 0.00 O ATOM 0 H GLU A 42 13.546 6.220 3.625 1.00 0.00 H new ATOM 0 HA GLU A 42 13.918 4.653 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.847 7.202 1.511 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.394 7.089 2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.471 6.212 0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.934 6.018 -0.478 1.00 0.00 H new ATOM 664 N LYS A 43 15.304 3.202 3.014 1.00 0.00 N ATOM 665 CA LYS A 43 16.238 2.192 3.403 1.00 0.00 C ATOM 666 C LYS A 43 15.481 0.925 3.610 1.00 0.00 C ATOM 667 O LYS A 43 15.166 0.593 4.752 1.00 0.00 O ATOM 668 CB LYS A 43 17.060 2.613 4.634 1.00 0.00 C ATOM 669 CG LYS A 43 16.291 3.406 5.693 1.00 0.00 C ATOM 670 CD LYS A 43 17.060 3.596 7.002 1.00 0.00 C ATOM 671 CE LYS A 43 17.695 4.969 7.227 1.00 0.00 C ATOM 672 NZ LYS A 43 18.843 5.215 6.327 1.00 0.00 N ATOM 0 H LYS A 43 14.347 2.957 3.269 1.00 0.00 H new ATOM 0 HA LYS A 43 16.977 2.039 2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.470 1.717 5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 43 17.906 3.213 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.037 4.385 5.287 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.352 2.895 5.905 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.380 3.395 7.830 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.848 2.844 7.047 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.944 5.743 7.072 1.00 0.00 H new ATOM 0 HE3 LYS A 43 18.026 5.048 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.238 6.158 6.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.574 4.493 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 18.525 5.167 5.338 1.00 0.00 H new ATOM 878 N TRP A 55 9.574 -0.839 -2.485 1.00 0.00 N ATOM 879 CA TRP A 55 9.917 0.492 -2.090 1.00 0.00 C ATOM 880 C TRP A 55 10.290 1.330 -3.265 1.00 0.00 C ATOM 881 O TRP A 55 9.976 2.518 -3.330 1.00 0.00 O ATOM 882 CB TRP A 55 11.001 0.467 -0.999 1.00 0.00 C ATOM 883 CG TRP A 55 11.014 1.714 -0.147 1.00 0.00 C ATOM 884 CD1 TRP A 55 10.304 1.991 0.986 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.622 2.956 -0.550 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.279 3.342 1.209 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.108 3.947 0.295 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.488 3.265 -1.562 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.453 5.259 0.116 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.819 4.589 -1.731 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.310 5.571 -0.913 1.00 0.00 C ATOM 0 HA TRP A 55 9.038 0.965 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.844 -0.401 -0.359 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.977 0.345 -1.468 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.831 1.252 1.615 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.737 3.818 1.930 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.896 2.499 -2.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.063 6.029 0.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.496 4.865 -2.526 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.587 6.601 -1.081 1.00 0.00 H new ATOM 902 N GLU A 56 10.897 0.736 -4.307 1.00 0.00 N ATOM 903 CA GLU A 56 11.239 1.424 -5.513 1.00 0.00 C ATOM 904 C GLU A 56 10.053 1.719 -6.364 1.00 0.00 C ATOM 905 O GLU A 56 9.969 2.749 -7.032 1.00 0.00 O ATOM 906 CB GLU A 56 12.329 0.682 -6.306 1.00 0.00 C ATOM 907 CG GLU A 56 13.038 1.622 -7.282 1.00 0.00 C ATOM 908 CD GLU A 56 14.151 0.996 -8.112 1.00 0.00 C ATOM 909 OE1 GLU A 56 14.551 -0.174 -7.869 1.00 0.00 O ATOM 910 OE2 GLU A 56 14.644 1.705 -9.029 1.00 0.00 O ATOM 0 H GLU A 56 11.157 -0.250 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 56 11.650 2.386 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.056 0.253 -5.616 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.883 -0.147 -6.855 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.294 2.039 -7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.456 2.455 -6.717 1.00 0.00 H new ATOM 917 N ALA A 57 9.026 0.852 -6.317 1.00 0.00 N ATOM 918 CA ALA A 57 7.754 1.111 -6.917 1.00 0.00 C ATOM 919 C ALA A 57 6.960 2.147 -6.197 1.00 0.00 C ATOM 920 O ALA A 57 6.036 2.753 -6.738 1.00 0.00 O ATOM 921 CB ALA A 57 6.953 -0.198 -7.003 1.00 0.00 C ATOM 0 H ALA A 57 9.081 -0.053 -5.850 1.00 0.00 H new ATOM 0 HA ALA A 57 7.947 1.509 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.983 -0.002 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.500 -0.920 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.807 -0.602 -6.001 1.00 0.00 H new ATOM 927 N TRP A 58 7.309 2.434 -4.931 1.00 0.00 N ATOM 928 CA TRP A 58 6.677 3.414 -4.103 1.00 0.00 C ATOM 929 C TRP A 58 7.296 4.753 -4.312 1.00 0.00 C ATOM 930 O TRP A 58 6.590 5.732 -4.547 1.00 0.00 O ATOM 931 CB TRP A 58 6.703 2.995 -2.623 1.00 0.00 C ATOM 932 CG TRP A 58 6.003 3.918 -1.654 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.043 4.865 -1.864 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.334 3.977 -0.254 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.825 5.582 -0.717 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.631 5.068 0.272 1.00 0.00 C ATOM 937 CE3 TRP A 58 7.149 3.203 0.525 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.791 5.407 1.587 1.00 0.00 C ATOM 939 CZ3 TRP A 58 7.211 3.495 1.868 1.00 0.00 C ATOM 940 CH2 TRP A 58 6.555 4.588 2.386 1.00 0.00 C ATOM 0 H TRP A 58 8.076 1.955 -4.459 1.00 0.00 H new ATOM 0 HA TRP A 58 5.629 3.485 -4.394 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.253 2.006 -2.539 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.744 2.899 -2.313 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.529 5.026 -2.800 1.00 0.00 H new ATOM 0 HE1 TRP A 58 4.177 6.363 -0.614 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.723 2.392 0.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 5.329 6.296 1.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.783 2.857 2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 58 6.641 4.807 3.440 1.00 0.00 H new ATOM 951 N GLU A 59 8.636 4.882 -4.309 1.00 0.00 N ATOM 952 CA GLU A 59 9.333 6.096 -4.600 1.00 0.00 C ATOM 953 C GLU A 59 9.185 6.581 -6.002 1.00 0.00 C ATOM 954 O GLU A 59 9.532 7.709 -6.350 1.00 0.00 O ATOM 955 CB GLU A 59 10.831 6.119 -4.253 1.00 0.00 C ATOM 956 CG GLU A 59 11.692 5.043 -4.918 1.00 0.00 C ATOM 957 CD GLU A 59 13.086 5.505 -5.320 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.692 6.382 -4.650 1.00 0.00 O ATOM 959 OE2 GLU A 59 13.601 5.002 -6.354 1.00 0.00 O ATOM 0 H GLU A 59 9.260 4.105 -4.094 1.00 0.00 H new ATOM 0 HA GLU A 59 8.817 6.773 -3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.231 7.096 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.934 6.022 -3.172 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.786 4.199 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.174 4.679 -5.805 1.00 0.00 H new ATOM 966 N ASN A 60 8.555 5.780 -6.878 1.00 0.00 N ATOM 967 CA ASN A 60 8.017 6.237 -8.122 1.00 0.00 C ATOM 968 C ASN A 60 7.035 7.342 -7.935 1.00 0.00 C ATOM 969 O ASN A 60 7.016 8.289 -8.719 1.00 0.00 O ATOM 970 CB ASN A 60 7.397 5.020 -8.828 1.00 0.00 C ATOM 971 CG ASN A 60 7.290 5.223 -10.332 1.00 0.00 C ATOM 972 OD1 ASN A 60 6.237 5.561 -10.872 1.00 0.00 O ATOM 973 ND2 ASN A 60 8.428 5.000 -11.044 1.00 0.00 N ATOM 0 H ASN A 60 8.415 4.783 -6.716 1.00 0.00 H new ATOM 0 HA ASN A 60 8.808 6.663 -8.740 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.002 4.136 -8.624 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.406 4.829 -8.417 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.425 5.112 -12.058 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.284 4.721 -10.564 1.00 0.00 H new ATOM 980 N LEU A 61 6.212 7.281 -6.872 1.00 0.00 N ATOM 981 CA LEU A 61 5.174 8.210 -6.554 1.00 0.00 C ATOM 982 C LEU A 61 5.402 8.923 -5.265 1.00 0.00 C ATOM 983 O LEU A 61 4.483 9.351 -4.569 1.00 0.00 O ATOM 984 CB LEU A 61 3.795 7.528 -6.588 1.00 0.00 C ATOM 985 CG LEU A 61 3.115 7.681 -7.959 1.00 0.00 C ATOM 986 CD1 LEU A 61 3.952 7.129 -9.126 1.00 0.00 C ATOM 987 CD2 LEU A 61 1.742 6.989 -7.960 1.00 0.00 C ATOM 0 H LEU A 61 6.279 6.528 -6.187 1.00 0.00 H new ATOM 0 HA LEU A 61 5.195 8.977 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.907 6.469 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.157 7.959 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 61 3.005 8.754 -8.115 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.410 7.271 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.903 7.659 -9.174 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.136 6.066 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.276 7.108 -8.938 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.869 5.928 -7.745 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.107 7.440 -7.198 1.00 0.00 H new ATOM 999 N LYS A 62 6.689 9.127 -4.934 1.00 0.00 N ATOM 1000 CA LYS A 62 7.233 9.769 -3.777 1.00 0.00 C ATOM 1001 C LYS A 62 6.745 11.112 -3.354 1.00 0.00 C ATOM 1002 O LYS A 62 6.765 11.422 -2.164 1.00 0.00 O ATOM 1003 CB LYS A 62 8.750 9.918 -3.985 1.00 0.00 C ATOM 1004 CG LYS A 62 9.174 10.697 -5.232 1.00 0.00 C ATOM 1005 CD LYS A 62 10.665 10.532 -5.530 1.00 0.00 C ATOM 1006 CE LYS A 62 11.596 11.380 -4.661 1.00 0.00 C ATOM 1007 NZ LYS A 62 12.999 11.008 -4.948 1.00 0.00 N ATOM 0 H LYS A 62 7.433 8.803 -5.552 1.00 0.00 H new ATOM 0 HA LYS A 62 6.897 9.106 -2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.172 10.412 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.191 8.923 -4.033 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.593 10.355 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.946 11.754 -5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.931 9.483 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.841 10.782 -6.576 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.439 12.439 -4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.373 11.222 -3.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.637 11.581 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.142 10.000 -4.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.205 11.180 -5.953 1.00 0.00 H new ATOM 1021 N GLY A 63 6.362 11.972 -4.314 1.00 0.00 N ATOM 1022 CA GLY A 63 6.282 13.387 -4.119 1.00 0.00 C ATOM 1023 C GLY A 63 4.886 13.819 -3.828 1.00 0.00 C ATOM 1024 O GLY A 63 4.652 14.609 -2.915 1.00 0.00 O ATOM 0 H GLY A 63 6.100 11.675 -5.254 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.934 13.680 -3.296 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.645 13.899 -5.010 1.00 0.00 H new ATOM 1028 N LYS A 64 3.915 13.336 -4.624 1.00 0.00 N ATOM 1029 CA LYS A 64 2.622 13.949 -4.612 1.00 0.00 C ATOM 1030 C LYS A 64 1.563 13.031 -4.105 1.00 0.00 C ATOM 1031 O LYS A 64 0.583 13.441 -3.484 1.00 0.00 O ATOM 1032 CB LYS A 64 2.217 14.411 -6.023 1.00 0.00 C ATOM 1033 CG LYS A 64 2.371 15.930 -6.115 1.00 0.00 C ATOM 1034 CD LYS A 64 2.220 16.472 -7.538 1.00 0.00 C ATOM 1035 CE LYS A 64 2.718 17.911 -7.692 1.00 0.00 C ATOM 1036 NZ LYS A 64 2.521 18.392 -9.078 1.00 0.00 N ATOM 0 H LYS A 64 4.018 12.544 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 64 2.703 14.804 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.841 13.924 -6.772 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.186 14.124 -6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.627 16.402 -5.474 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.350 16.212 -5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.770 15.829 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.170 16.425 -7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.185 18.561 -6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.775 17.964 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.866 19.370 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.049 17.783 -9.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.509 18.361 -9.316 1.00 0.00 H new ATOM 1050 N SER A 65 1.726 11.741 -4.448 1.00 0.00 N ATOM 1051 CA SER A 65 0.656 10.913 -4.908 1.00 0.00 C ATOM 1052 C SER A 65 -0.117 10.256 -3.816 1.00 0.00 C ATOM 1053 O SER A 65 -0.572 9.122 -3.962 1.00 0.00 O ATOM 1054 CB SER A 65 1.264 9.882 -5.873 1.00 0.00 C ATOM 1055 OG SER A 65 0.580 9.818 -7.115 1.00 0.00 O ATOM 0 H SER A 65 2.625 11.262 -4.404 1.00 0.00 H new ATOM 0 HA SER A 65 -0.081 11.539 -5.411 1.00 0.00 H new ATOM 0 HB2 SER A 65 2.310 10.132 -6.052 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.247 8.898 -5.404 1.00 0.00 H new ATOM 0 HG SER A 65 1.199 10.041 -7.841 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.370 10.972 -2.706 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.346 10.650 -1.712 1.00 0.00 C ATOM 1063 C GLN A 66 -2.686 11.041 -2.234 1.00 0.00 C ATOM 1064 O GLN A 66 -3.669 10.320 -2.068 1.00 0.00 O ATOM 1065 CB GLN A 66 -1.011 11.415 -0.421 1.00 0.00 C ATOM 1066 CG GLN A 66 -2.219 11.806 0.433 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.851 12.356 1.802 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.963 13.549 2.082 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -1.401 11.450 2.711 1.00 0.00 N ATOM 0 H GLN A 66 0.139 11.829 -2.490 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.347 9.583 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.342 10.802 0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.464 12.320 -0.685 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.804 12.553 -0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.858 10.933 0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -1.318 10.467 2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.147 11.754 3.651 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.735 12.192 -2.929 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.890 12.793 -3.517 1.00 0.00 C ATOM 1080 C GLU A 67 -4.391 11.966 -4.651 1.00 0.00 C ATOM 1081 O GLU A 67 -5.595 11.846 -4.878 1.00 0.00 O ATOM 1082 CB GLU A 67 -3.586 14.233 -3.964 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.504 14.416 -5.030 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.629 15.763 -5.725 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.412 16.825 -5.082 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -2.952 15.767 -6.944 1.00 0.00 O ATOM 0 H GLU A 67 -1.894 12.747 -3.092 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.677 12.839 -2.765 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.510 14.673 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.295 14.806 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.520 14.333 -4.569 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.579 13.617 -5.767 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.457 11.316 -5.368 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.755 10.357 -6.385 1.00 0.00 C ATOM 1095 C ASP A 68 -4.001 9.004 -5.810 1.00 0.00 C ATOM 1096 O ASP A 68 -4.990 8.379 -6.191 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.583 10.248 -7.374 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.315 11.544 -8.125 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.111 11.895 -9.038 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.282 12.206 -7.838 1.00 0.00 O ATOM 0 H ASP A 68 -2.457 11.464 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.656 10.701 -6.893 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.684 9.956 -6.832 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.794 9.455 -8.092 1.00 0.00 H new ATOM 1105 N ALA A 69 -3.179 8.517 -4.864 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.390 7.275 -4.187 1.00 0.00 C ATOM 1107 C ALA A 69 -4.792 7.007 -3.759 1.00 0.00 C ATOM 1108 O ALA A 69 -5.404 6.074 -4.277 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.528 7.113 -2.924 1.00 0.00 C ATOM 0 H ALA A 69 -2.337 9.005 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.106 6.563 -4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.739 6.149 -2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.473 7.163 -3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.760 7.912 -2.220 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.410 7.835 -2.898 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.796 7.731 -2.566 1.00 0.00 C ATOM 1117 C GLU A 70 -7.773 7.484 -3.664 1.00 0.00 C ATOM 1118 O GLU A 70 -8.659 6.642 -3.523 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.232 8.903 -1.669 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.981 10.289 -2.269 1.00 0.00 C ATOM 1121 CD GLU A 70 -8.093 11.260 -1.898 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -9.130 11.261 -2.616 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -7.983 12.031 -0.909 1.00 0.00 O ATOM 0 H GLU A 70 -4.932 8.598 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.840 6.788 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.295 8.802 -1.452 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.705 8.832 -0.718 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.025 10.674 -1.914 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.910 10.211 -3.354 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.680 8.158 -4.824 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.575 8.061 -5.936 1.00 0.00 C ATOM 1132 C LYS A 71 -8.259 7.002 -6.936 1.00 0.00 C ATOM 1133 O LYS A 71 -9.127 6.599 -7.707 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.604 9.406 -6.681 1.00 0.00 C ATOM 1135 CG LYS A 71 -9.131 10.545 -5.806 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.787 11.901 -6.429 1.00 0.00 C ATOM 1137 CE LYS A 71 -9.302 13.107 -5.641 1.00 0.00 C ATOM 1138 NZ LYS A 71 -8.519 13.288 -4.398 1.00 0.00 N ATOM 0 H LYS A 71 -6.923 8.819 -4.997 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.533 7.790 -5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.599 9.650 -7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.230 9.313 -7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.211 10.454 -5.691 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.698 10.476 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.704 11.980 -6.523 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.198 11.939 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.234 14.005 -6.254 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.355 12.967 -5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.552 14.287 -4.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.923 12.696 -3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.531 13.009 -4.566 1.00 0.00 H new ATOM 1152 N GLU A 72 -7.013 6.499 -6.982 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.693 5.350 -7.772 1.00 0.00 C ATOM 1154 C GLU A 72 -6.883 4.096 -6.990 1.00 0.00 C ATOM 1155 O GLU A 72 -7.215 3.051 -7.547 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.277 5.484 -8.356 1.00 0.00 C ATOM 1157 CG GLU A 72 -5.173 6.660 -9.330 1.00 0.00 C ATOM 1158 CD GLU A 72 -3.820 6.699 -10.025 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -3.572 5.835 -10.907 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -2.992 7.594 -9.707 1.00 0.00 O ATOM 0 H GLU A 72 -6.223 6.890 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.382 5.291 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.561 5.619 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.007 4.561 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.963 6.585 -10.077 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.332 7.594 -8.791 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.727 4.146 -5.655 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.788 3.008 -4.791 1.00 0.00 C ATOM 1169 C TYR A 73 -8.127 2.355 -4.767 1.00 0.00 C ATOM 1170 O TYR A 73 -8.222 1.132 -4.859 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.429 3.397 -3.348 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.094 2.216 -2.502 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.954 1.504 -2.792 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.841 1.886 -1.395 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.503 0.523 -1.940 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.408 0.888 -0.555 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.232 0.223 -0.813 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.736 -0.788 0.036 1.00 0.00 O ATOM 0 H TYR A 73 -6.551 5.018 -5.156 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.066 2.300 -5.198 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.581 4.082 -3.361 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.266 3.933 -2.901 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.407 1.717 -3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.763 2.408 -1.187 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.586 -0.006 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.995 0.624 0.313 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.800 -0.974 -0.189 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.211 3.146 -4.689 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.556 2.725 -4.935 1.00 0.00 C ATOM 1190 C ILE A 74 -10.742 1.774 -6.065 1.00 0.00 C ATOM 1191 O ILE A 74 -11.306 0.693 -5.895 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.474 3.906 -5.058 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -12.932 3.511 -5.348 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -10.975 4.929 -6.092 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -13.924 4.674 -5.315 1.00 0.00 C ATOM 0 H ILE A 74 -9.146 4.133 -4.441 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.824 2.142 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.459 4.382 -4.078 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -12.979 3.038 -6.329 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.244 2.763 -4.619 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.673 5.764 -6.144 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -9.992 5.296 -5.796 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.905 4.453 -7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -14.926 4.304 -5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.912 5.135 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.642 5.414 -6.064 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.223 2.097 -7.263 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.390 1.303 -8.441 1.00 0.00 C ATOM 1209 C ALA A 75 -9.560 0.067 -8.496 1.00 0.00 C ATOM 1210 O ALA A 75 -9.926 -0.905 -9.154 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.123 2.173 -9.680 1.00 0.00 C ATOM 0 H ALA A 75 -9.668 2.939 -7.417 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.421 0.949 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.249 1.572 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.826 3.006 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.104 2.559 -9.641 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.440 0.012 -7.753 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.696 -1.185 -7.516 1.00 0.00 C ATOM 1219 C LEU A 76 -8.494 -2.089 -6.640 1.00 0.00 C ATOM 1220 O LEU A 76 -8.931 -3.167 -7.040 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.363 -0.945 -6.785 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.387 -0.021 -7.532 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.159 0.196 -6.633 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -4.957 -0.592 -8.895 1.00 0.00 C ATOM 0 H LEU A 76 -8.038 0.833 -7.300 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.488 -1.609 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.572 -0.516 -5.805 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.877 -1.906 -6.616 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.891 0.923 -7.742 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.448 0.849 -7.139 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.471 0.656 -5.696 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.686 -0.764 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.268 0.101 -9.379 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.462 -1.552 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.836 -0.730 -9.525 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.758 -1.625 -5.406 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.260 -2.390 -4.306 1.00 0.00 C ATOM 1238 C VAL A 77 -10.647 -2.863 -4.571 1.00 0.00 C ATOM 1239 O VAL A 77 -11.041 -3.922 -4.086 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.122 -1.607 -3.035 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.861 -2.291 -1.871 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.622 -1.624 -2.696 1.00 0.00 C ATOM 0 H VAL A 77 -8.610 -0.646 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.663 -3.294 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.534 -0.607 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.741 -1.697 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.921 -2.375 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.446 -3.286 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.451 -1.067 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.290 -2.654 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.060 -1.163 -3.508 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.426 -2.187 -5.434 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.691 -2.689 -5.872 1.00 0.00 C ATOM 1254 C ASP A 78 -12.618 -4.006 -6.563 1.00 0.00 C ATOM 1255 O ASP A 78 -13.409 -4.910 -6.299 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.348 -1.696 -6.846 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.347 -0.774 -6.161 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -14.473 -0.776 -4.908 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -15.104 -0.099 -6.910 1.00 0.00 O ATOM 0 H ASP A 78 -11.176 -1.282 -5.832 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.275 -2.818 -4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.574 -1.095 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.854 -2.250 -7.637 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.646 -4.166 -7.479 1.00 0.00 N ATOM 1265 CA GLN A 79 -11.468 -5.375 -8.220 1.00 0.00 C ATOM 1266 C GLN A 79 -10.710 -6.395 -7.443 1.00 0.00 C ATOM 1267 O GLN A 79 -10.848 -7.601 -7.644 1.00 0.00 O ATOM 1268 CB GLN A 79 -10.766 -5.126 -9.567 1.00 0.00 C ATOM 1269 CG GLN A 79 -11.461 -4.100 -10.463 1.00 0.00 C ATOM 1270 CD GLN A 79 -12.924 -4.429 -10.723 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -13.321 -5.578 -10.906 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -13.778 -3.371 -10.750 1.00 0.00 N ATOM 0 H GLN A 79 -10.969 -3.439 -7.709 1.00 0.00 H new ATOM 0 HA GLN A 79 -12.469 -5.760 -8.417 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -9.747 -4.791 -9.375 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.695 -6.071 -10.106 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.393 -3.116 -9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.933 -4.041 -11.415 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -13.425 -2.427 -10.595 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -14.772 -3.522 -10.925 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.897 -5.948 -6.469 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.165 -6.777 -5.564 1.00 0.00 C ATOM 1283 C LEU A 80 -10.106 -7.410 -4.598 1.00 0.00 C ATOM 1284 O LEU A 80 -10.149 -8.635 -4.494 1.00 0.00 O ATOM 1285 CB LEU A 80 -7.966 -6.016 -4.972 1.00 0.00 C ATOM 1286 CG LEU A 80 -7.005 -5.538 -6.073 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -5.940 -4.572 -5.528 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -6.305 -6.672 -6.842 1.00 0.00 C ATOM 0 H LEU A 80 -9.743 -4.953 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.695 -7.615 -6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.323 -5.159 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.431 -6.662 -4.276 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.652 -5.018 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.283 -4.260 -6.340 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.428 -3.697 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -5.353 -5.074 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.646 -6.246 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.719 -7.274 -6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.054 -7.300 -7.325 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.003 -6.658 -3.937 1.00 0.00 N ATOM 1301 CA ILE A 81 -11.983 -7.212 -3.055 1.00 0.00 C ATOM 1302 C ILE A 81 -12.964 -8.083 -3.759 1.00 0.00 C ATOM 1303 O ILE A 81 -13.385 -9.110 -3.228 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.673 -6.138 -2.267 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.694 -5.552 -1.238 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -13.968 -6.594 -1.573 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -12.243 -4.374 -0.432 1.00 0.00 C ATOM 0 H ILE A 81 -11.049 -5.642 -4.017 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.446 -7.854 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.981 -5.378 -2.985 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.399 -6.342 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.792 -5.230 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.402 -5.757 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.678 -6.945 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.743 -7.403 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.483 -4.027 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.510 -3.563 -1.109 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -13.127 -4.692 0.120 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.327 -7.790 -5.021 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.143 -8.654 -5.818 1.00 0.00 C ATOM 1321 C ALA A 82 -13.604 -10.030 -6.006 1.00 0.00 C ATOM 1322 O ALA A 82 -14.358 -10.993 -6.134 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.394 -8.006 -7.189 1.00 0.00 C ATOM 0 H ALA A 82 -13.047 -6.933 -5.499 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.072 -8.777 -5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.016 -8.665 -7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.903 -7.052 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.442 -7.841 -7.693 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.268 -10.190 -6.016 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.585 -11.447 -6.044 1.00 0.00 C ATOM 1331 C LYS A 83 -11.377 -11.983 -4.670 1.00 0.00 C ATOM 1332 O LYS A 83 -11.461 -13.188 -4.439 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.268 -11.256 -6.817 1.00 0.00 C ATOM 1334 CG LYS A 83 -9.458 -12.528 -7.073 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.418 -12.402 -8.188 1.00 0.00 C ATOM 1336 CE LYS A 83 -7.497 -11.184 -8.086 1.00 0.00 C ATOM 1337 NZ LYS A 83 -6.293 -11.335 -8.933 1.00 0.00 N ATOM 0 H LYS A 83 -11.628 -9.396 -6.004 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.189 -12.196 -6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.496 -10.793 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.643 -10.554 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.951 -12.813 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.144 -13.337 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.804 -13.302 -8.193 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.938 -12.365 -9.145 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.043 -10.289 -8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.196 -11.041 -7.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.762 -10.441 -8.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.690 -12.090 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.579 -11.580 -9.902 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.074 -11.109 -3.694 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.437 -11.458 -2.463 1.00 0.00 C ATOM 1353 C TYR A 84 -11.314 -11.451 -1.257 1.00 0.00 C ATOM 1354 O TYR A 84 -10.903 -11.967 -0.220 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.267 -10.509 -2.153 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.142 -10.469 -3.131 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.685 -11.589 -3.784 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.471 -9.287 -3.326 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.572 -11.542 -4.591 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.380 -9.211 -4.160 1.00 0.00 C ATOM 1361 CZ TYR A 84 -5.934 -10.342 -4.802 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.820 -10.285 -5.666 1.00 0.00 O ATOM 0 H TYR A 84 -11.283 -10.113 -3.767 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.113 -12.484 -2.640 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.667 -9.500 -2.058 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.859 -10.783 -1.180 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.210 -12.525 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.807 -8.398 -2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.201 -12.443 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.876 -8.268 -4.310 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.006 -9.662 -6.399 1.00 0.00 H new ATOM 1372 N SER A 85 -12.529 -10.874 -1.308 1.00 0.00 N ATOM 1373 CA SER A 85 -13.454 -10.753 -0.224 1.00 0.00 C ATOM 1374 C SER A 85 -13.616 -11.947 0.652 1.00 0.00 C ATOM 1375 O SER A 85 -13.435 -11.867 1.866 1.00 0.00 O ATOM 1376 CB SER A 85 -14.856 -10.309 -0.675 1.00 0.00 C ATOM 1377 OG SER A 85 -15.423 -11.160 -1.659 1.00 0.00 O ATOM 0 H SER A 85 -12.889 -10.463 -2.169 1.00 0.00 H new ATOM 0 HA SER A 85 -12.971 -9.981 0.375 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.516 -10.277 0.192 1.00 0.00 H new ATOM 0 HB3 SER A 85 -14.799 -9.295 -1.070 1.00 0.00 H new ATOM 0 HG SER A 85 -16.312 -10.829 -1.905 1.00 0.00 H new ATOM 1383 N SER A 86 -13.944 -13.100 0.043 1.00 0.00 N ATOM 1384 CA SER A 86 -13.986 -14.371 0.697 1.00 0.00 C ATOM 1385 C SER A 86 -14.087 -15.465 -0.356 1.00 0.00 C ATOM 1386 O SER A 86 -14.231 -15.160 -1.570 1.00 0.00 O ATOM 1387 CB SER A 86 -15.174 -14.536 1.660 1.00 0.00 C ATOM 1388 OG SER A 86 -15.008 -15.685 2.478 1.00 0.00 O ATOM 1389 OXT SER A 86 -14.051 -16.667 0.023 1.00 0.00 O ATOM 0 H SER A 86 -14.190 -13.149 -0.946 1.00 0.00 H new ATOM 0 HA SER A 86 -13.073 -14.442 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.265 -13.649 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.100 -14.621 1.091 1.00 0.00 H new ATOM 0 HG SER A 86 -14.617 -16.410 1.948 1.00 0.00 H new