USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 683 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 72 THR OG1 : rot 82:sc= 1.17 USER MOD Set 1.2: A 75 LYS NZ :NH3+ 175:sc= 0.249 (180deg=0) USER MOD Set 2.1: A 17 SER OG : rot 84:sc= 1.23 USER MOD Set 2.2: A 20 GLN : amide:sc= 0.82 K(o=2,f=-2.3) USER MOD Single : A 7 SER OG : rot 35:sc= 0.115 USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= 1.09 (180deg=-0.267) USER MOD Single : A 15 LYS NZ :NH3+ -154:sc= 1.18 (180deg=0.671) USER MOD Single : A 21 LYS NZ :NH3+ -144:sc= 1.23 (180deg=0.923) USER MOD Single : A 22 THR OG1 : rot 78:sc= 0.101 USER MOD Single : A 23 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-1) USER MOD Single : A 28 LYS NZ :NH3+ 146:sc= 0.709 (180deg=0.319!) USER MOD Single : A 33 ASN : amide:sc= -0.73 K(o=-0.73,f=-7.9!) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.291 (180deg=-0.0278) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00539 USER MOD Single : A 47 LYS NZ :NH3+ -130:sc= 0.528 (180deg=-0.216) USER MOD Single : A 49 LYS NZ :NH3+ 151:sc= 1.07 (180deg=0.518) USER MOD Single : A 50 THR OG1 : rot 83:sc= 1.25 USER MOD Single : A 54 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.9!) USER MOD Single : A 56 LYS NZ :NH3+ -147:sc= 1.16 (180deg=0.679) USER MOD Single : A 57 SER OG : rot 71:sc= 1.24 USER MOD Single : A 61 LYS NZ :NH3+ 131:sc= 1.15 (180deg=0.704) USER MOD Single : A 63 ASN : amide:sc= 1.08 K(o=1.1,f=-0.32) USER MOD Single : A 65 ASN : amide:sc= -0.0408 X(o=-0.041,f=-0.00034) USER MOD Single : A 69 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.23) USER MOD Single : A 70 GLN : amide:sc= 0.0637 X(o=0.064,f=-0.14) USER MOD Single : A 71 LYS NZ :NH3+ -144:sc= 0.296 (180deg=-0.151) USER MOD Single : A 73 THR OG1 : rot 72:sc= 0.441 USER MOD Single : A 76 GLN :FLIP amide:sc=-0.000859 F(o=-0.66,f=-0.00086) USER MOD Single : A 77 THR OG1 : rot 65:sc= 0.972 USER MOD Single : A 79 GLN : amide:sc= 1.05 K(o=1.1,f=-0.88) USER MOD Single : A 83 SER OG : rot 66:sc= 1.26 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0108 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 93 ASN : amide:sc= 0.0777 K(o=0.078,f=-9.7!) USER MOD Single : A 96 THR OG1 : rot 120:sc= -0.307 USER MOD Single : A 97 THR OG1 : rot 52:sc= 0.115 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 4.387 -10.408 -7.904 1.00 0.00 N ATOM 78 CA SER A 7 4.762 -10.822 -6.571 1.00 0.00 C ATOM 79 C SER A 7 4.053 -12.113 -6.176 1.00 0.00 C ATOM 80 O SER A 7 3.552 -12.843 -7.034 1.00 0.00 O ATOM 81 CB SER A 7 4.429 -9.697 -5.588 1.00 0.00 C ATOM 82 OG SER A 7 5.093 -8.496 -5.952 1.00 0.00 O ATOM 0 HA SER A 7 5.833 -11.021 -6.547 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.352 -9.531 -5.570 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.724 -9.990 -4.580 1.00 0.00 H new ATOM 0 HG SER A 7 5.137 -8.430 -6.929 1.00 0.00 H new ATOM 88 N LYS A 8 4.049 -12.390 -4.873 1.00 0.00 N ATOM 89 CA LYS A 8 3.402 -13.570 -4.304 1.00 0.00 C ATOM 90 C LYS A 8 2.026 -13.829 -4.915 1.00 0.00 C ATOM 91 O LYS A 8 1.737 -14.939 -5.362 1.00 0.00 O ATOM 92 CB LYS A 8 3.247 -13.395 -2.793 1.00 0.00 C ATOM 93 CG LYS A 8 4.554 -13.412 -2.018 1.00 0.00 C ATOM 94 CD LYS A 8 4.881 -14.807 -1.514 1.00 0.00 C ATOM 95 CE LYS A 8 6.148 -14.818 -0.672 1.00 0.00 C ATOM 96 NZ LYS A 8 6.128 -13.782 0.398 1.00 0.00 N ATOM 0 H LYS A 8 4.499 -11.796 -4.177 1.00 0.00 H new ATOM 0 HA LYS A 8 4.038 -14.426 -4.530 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.737 -12.451 -2.600 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.604 -14.188 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.362 -13.055 -2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.488 -12.725 -1.174 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.047 -15.185 -0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.002 -15.481 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 8 6.271 -15.802 -0.219 1.00 0.00 H new ATOM 0 HE3 LYS A 8 7.011 -14.654 -1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.700 -14.105 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.521 -12.893 0.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.149 -13.624 0.710 1.00 0.00 H new ATOM 110 N GLU A 9 1.186 -12.800 -4.945 1.00 0.00 N ATOM 111 CA GLU A 9 -0.184 -12.967 -5.400 1.00 0.00 C ATOM 112 C GLU A 9 -0.256 -13.187 -6.911 1.00 0.00 C ATOM 113 O GLU A 9 -1.185 -13.829 -7.395 1.00 0.00 O ATOM 114 CB GLU A 9 -1.062 -11.788 -4.963 1.00 0.00 C ATOM 115 CG GLU A 9 -0.547 -10.422 -5.375 1.00 0.00 C ATOM 116 CD GLU A 9 -1.502 -9.311 -4.981 1.00 0.00 C ATOM 117 OE1 GLU A 9 -2.604 -9.228 -5.568 1.00 0.00 O ATOM 118 OE2 GLU A 9 -1.163 -8.511 -4.088 1.00 0.00 O ATOM 0 H GLU A 9 1.429 -11.851 -4.662 1.00 0.00 H new ATOM 0 HA GLU A 9 -0.577 -13.866 -4.925 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.061 -11.924 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.162 -11.811 -3.878 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.424 -10.246 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.394 -10.403 -6.454 1.00 0.00 H new ATOM 125 N GLU A 10 0.726 -12.688 -7.659 1.00 0.00 N ATOM 126 CA GLU A 10 0.773 -12.925 -9.086 1.00 0.00 C ATOM 127 C GLU A 10 1.083 -14.385 -9.364 1.00 0.00 C ATOM 128 O GLU A 10 0.431 -15.026 -10.187 1.00 0.00 O ATOM 129 CB GLU A 10 1.828 -12.046 -9.740 1.00 0.00 C ATOM 130 CG GLU A 10 1.361 -10.630 -10.031 1.00 0.00 C ATOM 131 CD GLU A 10 0.988 -9.870 -8.783 1.00 0.00 C ATOM 132 OE1 GLU A 10 1.798 -9.849 -7.837 1.00 0.00 O ATOM 133 OE2 GLU A 10 -0.117 -9.297 -8.749 1.00 0.00 O ATOM 0 H GLU A 10 1.492 -12.121 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.202 -12.677 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.703 -12.003 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.146 -12.511 -10.673 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.151 -10.092 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.501 -10.666 -10.700 1.00 0.00 H new ATOM 140 N LEU A 11 2.069 -14.906 -8.652 1.00 0.00 N ATOM 141 CA LEU A 11 2.492 -16.286 -8.826 1.00 0.00 C ATOM 142 C LEU A 11 1.378 -17.240 -8.409 1.00 0.00 C ATOM 143 O LEU A 11 1.174 -18.285 -9.028 1.00 0.00 O ATOM 144 CB LEU A 11 3.753 -16.558 -8.003 1.00 0.00 C ATOM 145 CG LEU A 11 4.916 -15.589 -8.253 1.00 0.00 C ATOM 146 CD1 LEU A 11 6.119 -15.975 -7.406 1.00 0.00 C ATOM 147 CD2 LEU A 11 5.287 -15.551 -9.732 1.00 0.00 C ATOM 0 H LEU A 11 2.594 -14.391 -7.945 1.00 0.00 H new ATOM 0 HA LEU A 11 2.716 -16.451 -9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.492 -16.523 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.094 -17.572 -8.214 1.00 0.00 H new ATOM 0 HG LEU A 11 4.595 -14.589 -7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.936 -15.278 -7.595 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.848 -15.939 -6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.437 -16.985 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.114 -14.857 -9.882 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.586 -16.547 -10.058 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.427 -15.222 -10.315 1.00 0.00 H new ATOM 159 N LEU A 12 0.648 -16.864 -7.367 1.00 0.00 N ATOM 160 CA LEU A 12 -0.428 -17.691 -6.854 1.00 0.00 C ATOM 161 C LEU A 12 -1.676 -17.608 -7.731 1.00 0.00 C ATOM 162 O LEU A 12 -2.360 -18.612 -7.931 1.00 0.00 O ATOM 163 CB LEU A 12 -0.771 -17.280 -5.423 1.00 0.00 C ATOM 164 CG LEU A 12 -1.858 -18.119 -4.754 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.425 -19.575 -4.640 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.196 -17.551 -3.389 1.00 0.00 C ATOM 0 H LEU A 12 0.785 -15.989 -6.862 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.081 -18.724 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.134 -17.336 -4.818 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.088 -16.237 -5.427 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.753 -18.082 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.215 -20.153 -4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.234 -19.977 -5.635 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.515 -19.638 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.972 -18.159 -2.924 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.305 -17.558 -2.761 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.554 -16.528 -3.499 1.00 0.00 H new ATOM 178 N ARG A 13 -1.968 -16.426 -8.277 1.00 0.00 N ATOM 179 CA ARG A 13 -3.203 -16.234 -9.028 1.00 0.00 C ATOM 180 C ARG A 13 -3.176 -17.018 -10.341 1.00 0.00 C ATOM 181 O ARG A 13 -4.217 -17.263 -10.943 1.00 0.00 O ATOM 182 CB ARG A 13 -3.471 -14.744 -9.292 1.00 0.00 C ATOM 183 CG ARG A 13 -2.571 -14.119 -10.346 1.00 0.00 C ATOM 184 CD ARG A 13 -2.976 -12.686 -10.650 1.00 0.00 C ATOM 185 NE ARG A 13 -2.389 -11.719 -9.722 1.00 0.00 N ATOM 186 CZ ARG A 13 -3.042 -11.128 -8.723 1.00 0.00 C ATOM 187 NH1 ARG A 13 -4.311 -11.431 -8.464 1.00 0.00 N ATOM 188 NH2 ARG A 13 -2.425 -10.215 -7.993 1.00 0.00 N ATOM 0 H ARG A 13 -1.373 -15.600 -8.213 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.020 -16.619 -8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.509 -14.624 -9.601 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.351 -14.195 -8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.537 -14.140 -10.001 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.614 -14.712 -11.260 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.673 -12.436 -11.667 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.062 -12.605 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.406 -11.480 -9.850 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.796 -12.124 -9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -4.799 -10.970 -7.696 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.457 -9.968 -8.197 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.917 -9.757 -7.226 1.00 0.00 H new ATOM 202 N GLU A 14 -1.985 -17.406 -10.783 1.00 0.00 N ATOM 203 CA GLU A 14 -1.839 -18.260 -11.956 1.00 0.00 C ATOM 204 C GLU A 14 -2.410 -19.650 -11.696 1.00 0.00 C ATOM 205 O GLU A 14 -2.864 -20.330 -12.616 1.00 0.00 O ATOM 206 CB GLU A 14 -0.373 -18.357 -12.341 1.00 0.00 C ATOM 207 CG GLU A 14 0.202 -17.023 -12.757 1.00 0.00 C ATOM 208 CD GLU A 14 -0.481 -16.460 -13.984 1.00 0.00 C ATOM 209 OE1 GLU A 14 -1.505 -15.762 -13.834 1.00 0.00 O ATOM 210 OE2 GLU A 14 -0.004 -16.715 -15.107 1.00 0.00 O ATOM 0 H GLU A 14 -1.103 -17.141 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.399 -17.815 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.196 -18.748 -11.498 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.261 -19.069 -13.159 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.105 -16.316 -11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.268 -17.136 -12.957 1.00 0.00 H new ATOM 217 N LYS A 15 -2.390 -20.055 -10.433 1.00 0.00 N ATOM 218 CA LYS A 15 -2.947 -21.331 -10.012 1.00 0.00 C ATOM 219 C LYS A 15 -4.434 -21.187 -9.710 1.00 0.00 C ATOM 220 O LYS A 15 -5.100 -22.139 -9.301 1.00 0.00 O ATOM 221 CB LYS A 15 -2.215 -21.811 -8.767 1.00 0.00 C ATOM 222 CG LYS A 15 -0.740 -22.064 -8.996 1.00 0.00 C ATOM 223 CD LYS A 15 0.015 -22.077 -7.685 1.00 0.00 C ATOM 224 CE LYS A 15 1.396 -22.692 -7.832 1.00 0.00 C ATOM 225 NZ LYS A 15 1.321 -24.143 -8.149 1.00 0.00 N ATOM 0 H LYS A 15 -1.987 -19.507 -9.673 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.823 -22.057 -10.816 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.330 -21.068 -7.978 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.682 -22.729 -8.411 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -0.605 -23.017 -9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.331 -21.292 -9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.110 -21.058 -7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.555 -22.637 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.943 -22.175 -8.621 1.00 0.00 H new ATOM 0 HE3 LYS A 15 1.958 -22.550 -6.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.187 -24.615 -7.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.497 -24.560 -7.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.227 -24.269 -9.177 1.00 0.00 H new ATOM 239 N LEU A 16 -4.940 -19.981 -9.910 1.00 0.00 N ATOM 240 CA LEU A 16 -6.321 -19.664 -9.590 1.00 0.00 C ATOM 241 C LEU A 16 -7.091 -19.299 -10.854 1.00 0.00 C ATOM 242 O LEU A 16 -6.495 -18.915 -11.862 1.00 0.00 O ATOM 243 CB LEU A 16 -6.363 -18.499 -8.601 1.00 0.00 C ATOM 244 CG LEU A 16 -5.613 -18.734 -7.287 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.599 -17.468 -6.451 1.00 0.00 C ATOM 246 CD2 LEU A 16 -6.243 -19.876 -6.504 1.00 0.00 C ATOM 0 H LEU A 16 -4.409 -19.200 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.789 -20.540 -9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.947 -17.616 -9.086 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.405 -18.275 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.585 -19.007 -7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.062 -17.652 -5.521 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.102 -16.672 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.623 -17.169 -6.226 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.694 -20.026 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.281 -19.633 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.205 -20.789 -7.098 1.00 0.00 H new ATOM 258 N SER A 17 -8.411 -19.423 -10.798 1.00 0.00 N ATOM 259 CA SER A 17 -9.265 -19.057 -11.924 1.00 0.00 C ATOM 260 C SER A 17 -9.419 -17.542 -12.000 1.00 0.00 C ATOM 261 O SER A 17 -8.975 -16.829 -11.100 1.00 0.00 O ATOM 262 CB SER A 17 -10.633 -19.714 -11.764 1.00 0.00 C ATOM 263 OG SER A 17 -10.498 -21.038 -11.287 1.00 0.00 O ATOM 0 H SER A 17 -8.915 -19.775 -9.984 1.00 0.00 H new ATOM 0 HA SER A 17 -8.804 -19.406 -12.848 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.242 -19.133 -11.072 1.00 0.00 H new ATOM 0 HB3 SER A 17 -11.154 -19.718 -12.721 1.00 0.00 H new ATOM 0 HG SER A 17 -10.408 -21.027 -10.311 1.00 0.00 H new ATOM 269 N GLU A 18 -10.078 -17.054 -13.053 1.00 0.00 N ATOM 270 CA GLU A 18 -10.248 -15.614 -13.258 1.00 0.00 C ATOM 271 C GLU A 18 -10.978 -14.997 -12.075 1.00 0.00 C ATOM 272 O GLU A 18 -10.670 -13.885 -11.642 1.00 0.00 O ATOM 273 CB GLU A 18 -11.035 -15.334 -14.539 1.00 0.00 C ATOM 274 CG GLU A 18 -10.373 -15.860 -15.799 1.00 0.00 C ATOM 275 CD GLU A 18 -11.091 -15.402 -17.049 1.00 0.00 C ATOM 276 OE1 GLU A 18 -10.688 -14.371 -17.626 1.00 0.00 O ATOM 277 OE2 GLU A 18 -12.065 -16.065 -17.459 1.00 0.00 O ATOM 0 H GLU A 18 -10.502 -17.634 -13.777 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.257 -15.169 -13.348 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.026 -15.779 -14.449 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.177 -14.258 -14.638 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.337 -15.523 -15.832 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.353 -16.949 -15.771 1.00 0.00 H new ATOM 284 N ASP A 19 -11.927 -15.748 -11.543 1.00 0.00 N ATOM 285 CA ASP A 19 -12.709 -15.304 -10.402 1.00 0.00 C ATOM 286 C ASP A 19 -11.815 -15.187 -9.178 1.00 0.00 C ATOM 287 O ASP A 19 -11.741 -14.141 -8.535 1.00 0.00 O ATOM 288 CB ASP A 19 -13.837 -16.300 -10.127 1.00 0.00 C ATOM 289 CG ASP A 19 -14.828 -16.381 -11.266 1.00 0.00 C ATOM 290 OD1 ASP A 19 -14.634 -17.226 -12.167 1.00 0.00 O ATOM 291 OD2 ASP A 19 -15.800 -15.602 -11.275 1.00 0.00 O ATOM 0 H ASP A 19 -12.176 -16.676 -11.886 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.141 -14.328 -10.623 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.410 -17.287 -9.950 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -14.359 -16.010 -9.215 1.00 0.00 H new ATOM 296 N GLN A 20 -11.097 -16.265 -8.909 1.00 0.00 N ATOM 297 CA GLN A 20 -10.257 -16.370 -7.725 1.00 0.00 C ATOM 298 C GLN A 20 -9.082 -15.395 -7.789 1.00 0.00 C ATOM 299 O GLN A 20 -8.579 -14.963 -6.757 1.00 0.00 O ATOM 300 CB GLN A 20 -9.774 -17.812 -7.578 1.00 0.00 C ATOM 301 CG GLN A 20 -10.917 -18.812 -7.514 1.00 0.00 C ATOM 302 CD GLN A 20 -10.450 -20.250 -7.573 1.00 0.00 C ATOM 303 OE1 GLN A 20 -10.275 -20.807 -8.654 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.271 -20.867 -6.419 1.00 0.00 N ATOM 0 H GLN A 20 -11.079 -17.093 -9.505 1.00 0.00 H new ATOM 0 HA GLN A 20 -10.844 -16.100 -6.847 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.126 -18.061 -8.418 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -9.171 -17.898 -6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.478 -18.656 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.603 -18.625 -8.340 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.427 -20.367 -5.544 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -9.976 -21.843 -6.403 1.00 0.00 H new ATOM 313 N LYS A 21 -8.653 -15.042 -9.003 1.00 0.00 N ATOM 314 CA LYS A 21 -7.621 -14.019 -9.184 1.00 0.00 C ATOM 315 C LYS A 21 -8.096 -12.689 -8.609 1.00 0.00 C ATOM 316 O LYS A 21 -7.324 -11.945 -8.001 1.00 0.00 O ATOM 317 CB LYS A 21 -7.293 -13.824 -10.671 1.00 0.00 C ATOM 318 CG LYS A 21 -6.624 -15.013 -11.338 1.00 0.00 C ATOM 319 CD LYS A 21 -6.562 -14.818 -12.844 1.00 0.00 C ATOM 320 CE LYS A 21 -5.982 -16.031 -13.553 1.00 0.00 C ATOM 321 NZ LYS A 21 -4.513 -16.143 -13.372 1.00 0.00 N ATOM 0 H LYS A 21 -9.002 -15.447 -9.871 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.725 -14.355 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.216 -13.598 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.643 -12.955 -10.774 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.617 -15.140 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.175 -15.924 -11.106 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.564 -14.620 -13.225 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.956 -13.941 -13.071 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.462 -16.934 -13.175 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.211 -15.970 -14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.083 -16.512 -14.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.117 -15.205 -13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.309 -16.790 -12.584 1.00 0.00 H new ATOM 335 N THR A 22 -9.377 -12.410 -8.806 1.00 0.00 N ATOM 336 CA THR A 22 -9.970 -11.165 -8.357 1.00 0.00 C ATOM 337 C THR A 22 -10.309 -11.226 -6.866 1.00 0.00 C ATOM 338 O THR A 22 -10.096 -10.258 -6.134 1.00 0.00 O ATOM 339 CB THR A 22 -11.234 -10.844 -9.177 1.00 0.00 C ATOM 340 OG1 THR A 22 -10.913 -10.865 -10.578 1.00 0.00 O ATOM 341 CG2 THR A 22 -11.794 -9.479 -8.808 1.00 0.00 C ATOM 0 H THR A 22 -10.028 -13.037 -9.278 1.00 0.00 H new ATOM 0 HA THR A 22 -9.240 -10.370 -8.510 1.00 0.00 H new ATOM 0 HB THR A 22 -11.989 -11.598 -8.954 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.857 -11.793 -10.887 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.686 -9.279 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.053 -9.466 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.045 -8.712 -9.008 1.00 0.00 H new ATOM 349 N HIS A 23 -10.812 -12.371 -6.415 1.00 0.00 N ATOM 350 CA HIS A 23 -11.123 -12.561 -4.999 1.00 0.00 C ATOM 351 C HIS A 23 -9.853 -12.556 -4.159 1.00 0.00 C ATOM 352 O HIS A 23 -9.883 -12.217 -2.979 1.00 0.00 O ATOM 353 CB HIS A 23 -11.902 -13.856 -4.776 1.00 0.00 C ATOM 354 CG HIS A 23 -13.314 -13.781 -5.262 1.00 0.00 C ATOM 355 ND1 HIS A 23 -13.744 -14.512 -6.342 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.344 -13.035 -4.794 1.00 0.00 C ATOM 357 CE1 HIS A 23 -15.016 -14.197 -6.505 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.425 -13.304 -5.593 1.00 0.00 N ATOM 0 H HIS A 23 -11.013 -13.179 -7.005 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.750 -11.727 -4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -11.391 -14.673 -5.286 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -11.902 -14.095 -3.712 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.318 -12.358 -3.953 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -15.649 -14.608 -7.278 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -16.359 -12.903 -5.510 1.00 0.00 H new ATOM 366 N LEU A 24 -8.742 -12.933 -4.778 1.00 0.00 N ATOM 367 CA LEU A 24 -7.444 -12.869 -4.122 1.00 0.00 C ATOM 368 C LEU A 24 -7.094 -11.418 -3.808 1.00 0.00 C ATOM 369 O LEU A 24 -6.657 -11.092 -2.705 1.00 0.00 O ATOM 370 CB LEU A 24 -6.367 -13.495 -5.015 1.00 0.00 C ATOM 371 CG LEU A 24 -4.988 -13.651 -4.373 1.00 0.00 C ATOM 372 CD1 LEU A 24 -5.060 -14.597 -3.185 1.00 0.00 C ATOM 373 CD2 LEU A 24 -3.984 -14.151 -5.397 1.00 0.00 C ATOM 0 H LEU A 24 -8.714 -13.287 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.490 -13.431 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.712 -14.478 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.264 -12.885 -5.912 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.657 -12.676 -4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.070 -14.697 -2.739 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.753 -14.199 -2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.408 -15.574 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.007 -14.257 -4.926 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.308 -15.118 -5.783 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.916 -13.437 -6.218 1.00 0.00 H new ATOM 385 N ASP A 25 -7.319 -10.547 -4.783 1.00 0.00 N ATOM 386 CA ASP A 25 -7.070 -9.120 -4.612 1.00 0.00 C ATOM 387 C ASP A 25 -8.061 -8.535 -3.608 1.00 0.00 C ATOM 388 O ASP A 25 -7.697 -7.707 -2.772 1.00 0.00 O ATOM 389 CB ASP A 25 -7.178 -8.397 -5.956 1.00 0.00 C ATOM 390 CG ASP A 25 -6.769 -6.938 -5.874 1.00 0.00 C ATOM 391 OD1 ASP A 25 -7.652 -6.081 -5.661 1.00 0.00 O ATOM 392 OD2 ASP A 25 -5.563 -6.638 -6.034 1.00 0.00 O ATOM 0 H ASP A 25 -7.675 -10.804 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.059 -8.981 -4.228 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -6.550 -8.905 -6.688 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.204 -8.462 -6.317 1.00 0.00 H new ATOM 397 N TRP A 26 -9.313 -8.998 -3.687 1.00 0.00 N ATOM 398 CA TRP A 26 -10.349 -8.602 -2.733 1.00 0.00 C ATOM 399 C TRP A 26 -9.917 -8.947 -1.315 1.00 0.00 C ATOM 400 O TRP A 26 -10.074 -8.145 -0.400 1.00 0.00 O ATOM 401 CB TRP A 26 -11.680 -9.304 -3.049 1.00 0.00 C ATOM 402 CG TRP A 26 -12.796 -8.957 -2.097 1.00 0.00 C ATOM 403 CD1 TRP A 26 -13.697 -7.938 -2.231 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.133 -9.625 -0.865 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.569 -7.931 -1.172 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.245 -8.954 -0.320 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.607 -10.722 -0.172 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.837 -9.342 0.880 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -13.196 -11.104 1.022 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.302 -10.415 1.535 1.00 0.00 C ATOM 0 H TRP A 26 -9.632 -9.649 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.492 -7.525 -2.817 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -11.986 -9.042 -4.062 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.523 -10.383 -3.032 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.719 -7.238 -3.053 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.335 -7.271 -1.040 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.756 -11.261 -0.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.690 -8.813 1.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.796 -11.947 1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.741 -10.738 2.467 1.00 0.00 H new ATOM 421 N LEU A 27 -9.368 -10.144 -1.144 1.00 0.00 N ATOM 422 CA LEU A 27 -8.921 -10.608 0.162 1.00 0.00 C ATOM 423 C LEU A 27 -7.841 -9.690 0.720 1.00 0.00 C ATOM 424 O LEU A 27 -7.842 -9.364 1.902 1.00 0.00 O ATOM 425 CB LEU A 27 -8.398 -12.040 0.066 1.00 0.00 C ATOM 426 CG LEU A 27 -7.912 -12.637 1.381 1.00 0.00 C ATOM 427 CD1 LEU A 27 -9.007 -12.571 2.428 1.00 0.00 C ATOM 428 CD2 LEU A 27 -7.465 -14.068 1.167 1.00 0.00 C ATOM 0 H LEU A 27 -9.222 -10.814 -1.899 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.773 -10.589 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.190 -12.674 -0.333 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.578 -12.064 -0.652 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.062 -12.056 1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.644 -13.001 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.290 -11.531 2.593 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.875 -13.133 2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.119 -14.486 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.301 -14.658 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.652 -14.091 0.441 1.00 0.00 H new ATOM 440 N LYS A 28 -6.931 -9.273 -0.144 1.00 0.00 N ATOM 441 CA LYS A 28 -5.891 -8.322 0.226 1.00 0.00 C ATOM 442 C LYS A 28 -6.508 -7.029 0.731 1.00 0.00 C ATOM 443 O LYS A 28 -6.138 -6.520 1.788 1.00 0.00 O ATOM 444 CB LYS A 28 -5.011 -8.044 -0.983 1.00 0.00 C ATOM 445 CG LYS A 28 -4.007 -6.919 -0.794 1.00 0.00 C ATOM 446 CD LYS A 28 -3.151 -6.751 -2.037 1.00 0.00 C ATOM 447 CE LYS A 28 -4.009 -6.783 -3.289 1.00 0.00 C ATOM 448 NZ LYS A 28 -3.202 -6.724 -4.531 1.00 0.00 N ATOM 0 H LYS A 28 -6.890 -9.580 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.286 -8.748 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.471 -8.955 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.650 -7.803 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.532 -5.988 -0.579 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.371 -7.132 0.066 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.609 -5.807 -1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.405 -7.545 -2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.608 -7.693 -3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.704 -5.944 -3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.663 -7.289 -5.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.124 -5.736 -4.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -2.252 -7.105 -4.346 1.00 0.00 H new ATOM 462 N GLU A 29 -7.453 -6.519 -0.040 1.00 0.00 N ATOM 463 CA GLU A 29 -8.178 -5.305 0.314 1.00 0.00 C ATOM 464 C GLU A 29 -9.000 -5.499 1.589 1.00 0.00 C ATOM 465 O GLU A 29 -9.176 -4.566 2.373 1.00 0.00 O ATOM 466 CB GLU A 29 -9.087 -4.892 -0.843 1.00 0.00 C ATOM 467 CG GLU A 29 -8.327 -4.481 -2.092 1.00 0.00 C ATOM 468 CD GLU A 29 -7.640 -3.141 -1.937 1.00 0.00 C ATOM 469 OE1 GLU A 29 -8.248 -2.116 -2.309 1.00 0.00 O ATOM 470 OE2 GLU A 29 -6.493 -3.101 -1.445 1.00 0.00 O ATOM 0 H GLU A 29 -7.741 -6.932 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.451 -4.516 0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.751 -5.721 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.718 -4.063 -0.521 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.583 -5.242 -2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.016 -4.437 -2.935 1.00 0.00 H new ATOM 477 N ALA A 30 -9.505 -6.707 1.780 1.00 0.00 N ATOM 478 CA ALA A 30 -10.285 -7.043 2.964 1.00 0.00 C ATOM 479 C ALA A 30 -9.398 -7.117 4.200 1.00 0.00 C ATOM 480 O ALA A 30 -9.730 -6.573 5.252 1.00 0.00 O ATOM 481 CB ALA A 30 -11.006 -8.364 2.757 1.00 0.00 C ATOM 0 H ALA A 30 -9.388 -7.479 1.124 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.022 -6.255 3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.586 -8.606 3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.674 -8.283 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.276 -9.152 2.575 1.00 0.00 H new ATOM 487 N LEU A 31 -8.267 -7.800 4.059 1.00 0.00 N ATOM 488 CA LEU A 31 -7.312 -7.940 5.147 1.00 0.00 C ATOM 489 C LEU A 31 -6.660 -6.603 5.466 1.00 0.00 C ATOM 490 O LEU A 31 -6.610 -6.190 6.624 1.00 0.00 O ATOM 491 CB LEU A 31 -6.247 -8.981 4.787 1.00 0.00 C ATOM 492 CG LEU A 31 -6.761 -10.420 4.681 1.00 0.00 C ATOM 493 CD1 LEU A 31 -5.653 -11.355 4.229 1.00 0.00 C ATOM 494 CD2 LEU A 31 -7.336 -10.887 6.012 1.00 0.00 C ATOM 0 H LEU A 31 -7.990 -8.267 3.196 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.848 -8.279 6.034 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.794 -8.702 3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.458 -8.947 5.538 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.556 -10.440 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.040 -12.372 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.287 -11.040 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.836 -11.326 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.695 -11.911 5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.561 -10.846 6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.164 -10.238 6.298 1.00 0.00 H new ATOM 506 N GLY A 32 -6.179 -5.923 4.433 1.00 0.00 N ATOM 507 CA GLY A 32 -5.549 -4.631 4.614 1.00 0.00 C ATOM 508 C GLY A 32 -4.252 -4.727 5.390 1.00 0.00 C ATOM 509 O GLY A 32 -3.935 -3.846 6.190 1.00 0.00 O ATOM 0 H GLY A 32 -6.215 -6.247 3.466 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.354 -4.185 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.235 -3.965 5.138 1.00 0.00 H new ATOM 513 N ASN A 33 -3.508 -5.800 5.163 1.00 0.00 N ATOM 514 CA ASN A 33 -2.227 -6.001 5.829 1.00 0.00 C ATOM 515 C ASN A 33 -1.296 -6.809 4.939 1.00 0.00 C ATOM 516 O ASN A 33 -1.677 -7.859 4.417 1.00 0.00 O ATOM 517 CB ASN A 33 -2.419 -6.721 7.169 1.00 0.00 C ATOM 518 CG ASN A 33 -1.171 -6.714 8.043 1.00 0.00 C ATOM 519 OD1 ASN A 33 -0.044 -6.715 7.553 1.00 0.00 O ATOM 520 ND2 ASN A 33 -1.369 -6.706 9.351 1.00 0.00 N ATOM 0 H ASN A 33 -3.770 -6.548 4.521 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.784 -5.024 6.020 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.237 -6.249 7.713 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.715 -7.753 6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.572 -6.700 9.987 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.319 -6.705 9.723 1.00 0.00 H new ATOM 527 N ASP A 34 -0.081 -6.302 4.775 1.00 0.00 N ATOM 528 CA ASP A 34 0.946 -6.972 3.985 1.00 0.00 C ATOM 529 C ASP A 34 1.197 -8.377 4.522 1.00 0.00 C ATOM 530 O ASP A 34 1.078 -9.362 3.795 1.00 0.00 O ATOM 531 CB ASP A 34 2.248 -6.158 4.035 1.00 0.00 C ATOM 532 CG ASP A 34 3.360 -6.742 3.182 1.00 0.00 C ATOM 533 OD1 ASP A 34 3.667 -6.154 2.124 1.00 0.00 O ATOM 534 OD2 ASP A 34 3.952 -7.768 3.576 1.00 0.00 O ATOM 0 H ASP A 34 0.221 -5.418 5.184 1.00 0.00 H new ATOM 0 HA ASP A 34 0.603 -7.048 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.044 -5.140 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.588 -6.095 5.069 1.00 0.00 H new ATOM 539 N GLY A 35 1.503 -8.457 5.813 1.00 0.00 N ATOM 540 CA GLY A 35 1.874 -9.721 6.423 1.00 0.00 C ATOM 541 C GLY A 35 0.742 -10.730 6.466 1.00 0.00 C ATOM 542 O GLY A 35 0.957 -11.917 6.212 1.00 0.00 O ATOM 0 H GLY A 35 1.500 -7.662 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.711 -10.149 5.871 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.223 -9.536 7.439 1.00 0.00 H new ATOM 546 N GLU A 36 -0.466 -10.270 6.777 1.00 0.00 N ATOM 547 CA GLU A 36 -1.599 -11.175 6.930 1.00 0.00 C ATOM 548 C GLU A 36 -2.040 -11.747 5.584 1.00 0.00 C ATOM 549 O GLU A 36 -2.385 -12.926 5.489 1.00 0.00 O ATOM 550 CB GLU A 36 -2.757 -10.465 7.626 1.00 0.00 C ATOM 551 CG GLU A 36 -2.394 -9.962 9.015 1.00 0.00 C ATOM 552 CD GLU A 36 -3.565 -9.348 9.751 1.00 0.00 C ATOM 553 OE1 GLU A 36 -4.126 -8.348 9.261 1.00 0.00 O ATOM 554 OE2 GLU A 36 -3.914 -9.848 10.839 1.00 0.00 O ATOM 0 H GLU A 36 -0.684 -9.285 6.927 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.281 -12.011 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.081 -9.624 7.014 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.603 -11.149 7.702 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.998 -10.790 9.602 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.598 -9.222 8.930 1.00 0.00 H new ATOM 561 N PHE A 37 -2.006 -10.925 4.539 1.00 0.00 N ATOM 562 CA PHE A 37 -2.360 -11.395 3.205 1.00 0.00 C ATOM 563 C PHE A 37 -1.260 -12.305 2.669 1.00 0.00 C ATOM 564 O PHE A 37 -1.530 -13.310 2.012 1.00 0.00 O ATOM 565 CB PHE A 37 -2.609 -10.213 2.257 1.00 0.00 C ATOM 566 CG PHE A 37 -2.968 -10.622 0.855 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.225 -10.180 -0.228 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.052 -11.455 0.623 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.555 -10.561 -1.515 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.387 -11.838 -0.661 1.00 0.00 C ATOM 571 CZ PHE A 37 -3.639 -11.389 -1.732 1.00 0.00 C ATOM 0 H PHE A 37 -1.740 -9.942 4.589 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.286 -11.967 3.267 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.412 -9.598 2.662 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.715 -9.590 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.378 -9.530 -0.064 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.641 -11.808 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.966 -10.212 -2.350 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.233 -12.488 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.901 -11.685 -2.737 1.00 0.00 H new ATOM 581 N ASP A 38 -0.020 -11.950 2.985 1.00 0.00 N ATOM 582 CA ASP A 38 1.143 -12.756 2.618 1.00 0.00 C ATOM 583 C ASP A 38 1.020 -14.160 3.180 1.00 0.00 C ATOM 584 O ASP A 38 1.310 -15.147 2.504 1.00 0.00 O ATOM 585 CB ASP A 38 2.407 -12.110 3.170 1.00 0.00 C ATOM 586 CG ASP A 38 3.674 -12.794 2.697 1.00 0.00 C ATOM 587 OD1 ASP A 38 4.062 -12.599 1.529 1.00 0.00 O ATOM 588 OD2 ASP A 38 4.303 -13.510 3.507 1.00 0.00 O ATOM 0 H ASP A 38 0.209 -11.100 3.500 1.00 0.00 H new ATOM 0 HA ASP A 38 1.195 -12.811 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.433 -11.062 2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.374 -12.131 4.259 1.00 0.00 H new ATOM 593 N LYS A 39 0.582 -14.233 4.428 1.00 0.00 N ATOM 594 CA LYS A 39 0.425 -15.512 5.115 1.00 0.00 C ATOM 595 C LYS A 39 -0.571 -16.419 4.388 1.00 0.00 C ATOM 596 O LYS A 39 -0.424 -17.647 4.397 1.00 0.00 O ATOM 597 CB LYS A 39 -0.028 -15.306 6.562 1.00 0.00 C ATOM 598 CG LYS A 39 -0.085 -16.605 7.353 1.00 0.00 C ATOM 599 CD LYS A 39 1.305 -17.194 7.552 1.00 0.00 C ATOM 600 CE LYS A 39 1.250 -18.693 7.801 1.00 0.00 C ATOM 601 NZ LYS A 39 0.977 -19.457 6.549 1.00 0.00 N ATOM 0 H LYS A 39 0.328 -13.420 4.989 1.00 0.00 H new ATOM 0 HA LYS A 39 1.401 -15.998 5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.654 -14.615 7.056 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.013 -14.840 6.567 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.547 -16.422 8.323 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.715 -17.324 6.830 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.915 -16.994 6.671 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.791 -16.703 8.395 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.196 -19.024 8.229 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.474 -18.911 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.361 -20.267 6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.506 -18.837 5.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.874 -19.800 6.149 1.00 0.00 H new ATOM 615 N PHE A 40 -1.582 -15.816 3.769 1.00 0.00 N ATOM 616 CA PHE A 40 -2.567 -16.567 3.003 1.00 0.00 C ATOM 617 C PHE A 40 -1.946 -17.084 1.714 1.00 0.00 C ATOM 618 O PHE A 40 -2.203 -18.210 1.291 1.00 0.00 O ATOM 619 CB PHE A 40 -3.784 -15.690 2.688 1.00 0.00 C ATOM 620 CG PHE A 40 -4.806 -16.364 1.812 1.00 0.00 C ATOM 621 CD1 PHE A 40 -4.771 -16.195 0.436 1.00 0.00 C ATOM 622 CD2 PHE A 40 -5.794 -17.165 2.360 1.00 0.00 C ATOM 623 CE1 PHE A 40 -5.703 -16.814 -0.375 1.00 0.00 C ATOM 624 CE2 PHE A 40 -6.729 -17.784 1.553 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.685 -17.609 0.185 1.00 0.00 C ATOM 0 H PHE A 40 -1.739 -14.808 3.784 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.897 -17.416 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.259 -15.394 3.623 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.445 -14.776 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.007 -15.573 -0.007 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.834 -17.307 3.430 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.664 -16.677 -1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -7.495 -18.405 1.993 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.416 -18.092 -0.446 1.00 0.00 H new ATOM 635 N LEU A 41 -1.113 -16.252 1.111 1.00 0.00 N ATOM 636 CA LEU A 41 -0.438 -16.593 -0.136 1.00 0.00 C ATOM 637 C LEU A 41 0.528 -17.760 0.067 1.00 0.00 C ATOM 638 O LEU A 41 0.954 -18.407 -0.892 1.00 0.00 O ATOM 639 CB LEU A 41 0.313 -15.368 -0.666 1.00 0.00 C ATOM 640 CG LEU A 41 -0.555 -14.124 -0.880 1.00 0.00 C ATOM 641 CD1 LEU A 41 0.307 -12.908 -1.178 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.550 -14.357 -2.004 1.00 0.00 C ATOM 0 H LEU A 41 -0.884 -15.324 1.468 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.188 -16.900 -0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.113 -15.120 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.786 -15.631 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.108 -13.933 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.331 -12.037 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.981 -12.726 -0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.890 -13.088 -2.081 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.158 -13.463 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.012 -14.576 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.194 -15.199 -1.751 1.00 0.00 H new ATOM 654 N GLY A 42 0.863 -18.023 1.325 1.00 0.00 N ATOM 655 CA GLY A 42 1.745 -19.123 1.653 1.00 0.00 C ATOM 656 C GLY A 42 1.017 -20.273 2.324 1.00 0.00 C ATOM 657 O GLY A 42 1.622 -21.047 3.066 1.00 0.00 O ATOM 0 H GLY A 42 0.535 -17.488 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.225 -19.483 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.537 -18.765 2.311 1.00 0.00 H new ATOM 661 N TYR A 43 -0.284 -20.381 2.083 1.00 0.00 N ATOM 662 CA TYR A 43 -1.068 -21.488 2.621 1.00 0.00 C ATOM 663 C TYR A 43 -1.068 -22.673 1.666 1.00 0.00 C ATOM 664 O TYR A 43 -0.409 -22.654 0.626 1.00 0.00 O ATOM 665 CB TYR A 43 -2.518 -21.075 2.899 1.00 0.00 C ATOM 666 CG TYR A 43 -2.740 -20.463 4.265 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.187 -21.041 5.400 1.00 0.00 C ATOM 668 CD2 TYR A 43 -3.534 -19.336 4.426 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.415 -20.513 6.656 1.00 0.00 C ATOM 670 CE2 TYR A 43 -3.761 -18.797 5.679 1.00 0.00 C ATOM 671 CZ TYR A 43 -3.203 -19.391 6.790 1.00 0.00 C ATOM 672 OH TYR A 43 -3.444 -18.865 8.039 1.00 0.00 O ATOM 0 H TYR A 43 -0.818 -19.718 1.521 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.597 -21.776 3.561 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.832 -20.360 2.138 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.159 -21.951 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -1.567 -21.920 5.299 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.982 -18.873 3.559 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.978 -20.977 7.528 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.373 -17.914 5.786 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.017 -18.074 7.956 1.00 0.00 H new ATOM 682 N ASP A 44 -1.807 -23.709 2.037 1.00 0.00 N ATOM 683 CA ASP A 44 -1.985 -24.876 1.182 1.00 0.00 C ATOM 684 C ASP A 44 -2.799 -24.509 -0.042 1.00 0.00 C ATOM 685 O ASP A 44 -3.865 -23.916 0.082 1.00 0.00 O ATOM 686 CB ASP A 44 -2.691 -25.991 1.954 1.00 0.00 C ATOM 687 CG ASP A 44 -3.124 -27.148 1.077 1.00 0.00 C ATOM 688 OD1 ASP A 44 -2.376 -27.513 0.145 1.00 0.00 O ATOM 689 OD2 ASP A 44 -4.215 -27.693 1.325 1.00 0.00 O ATOM 0 H ASP A 44 -2.296 -23.766 2.930 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.003 -25.227 0.864 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.024 -26.364 2.731 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.566 -25.578 2.456 1.00 0.00 H new ATOM 694 N GLU A 45 -2.303 -24.877 -1.216 1.00 0.00 N ATOM 695 CA GLU A 45 -2.982 -24.567 -2.467 1.00 0.00 C ATOM 696 C GLU A 45 -4.420 -25.068 -2.459 1.00 0.00 C ATOM 697 O GLU A 45 -5.312 -24.423 -3.017 1.00 0.00 O ATOM 698 CB GLU A 45 -2.238 -25.176 -3.650 1.00 0.00 C ATOM 699 CG GLU A 45 -1.679 -24.138 -4.601 1.00 0.00 C ATOM 700 CD GLU A 45 -1.327 -24.723 -5.947 1.00 0.00 C ATOM 701 OE1 GLU A 45 -2.233 -24.825 -6.798 1.00 0.00 O ATOM 702 OE2 GLU A 45 -0.153 -25.083 -6.165 1.00 0.00 O ATOM 0 H GLU A 45 -1.430 -25.392 -1.328 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.993 -23.482 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.422 -25.795 -3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.914 -25.834 -4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.410 -23.340 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.790 -23.686 -4.160 1.00 0.00 H new ATOM 709 N SER A 46 -4.638 -26.212 -1.824 1.00 0.00 N ATOM 710 CA SER A 46 -5.968 -26.786 -1.727 1.00 0.00 C ATOM 711 C SER A 46 -6.848 -25.909 -0.845 1.00 0.00 C ATOM 712 O SER A 46 -8.012 -25.662 -1.158 1.00 0.00 O ATOM 713 CB SER A 46 -5.891 -28.201 -1.152 1.00 0.00 C ATOM 714 OG SER A 46 -4.793 -28.910 -1.699 1.00 0.00 O ATOM 0 H SER A 46 -3.908 -26.759 -1.369 1.00 0.00 H new ATOM 0 HA SER A 46 -6.405 -26.837 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.794 -28.152 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.817 -28.735 -1.365 1.00 0.00 H new ATOM 0 HG SER A 46 -4.762 -29.812 -1.316 1.00 0.00 H new ATOM 720 N LYS A 47 -6.270 -25.405 0.241 1.00 0.00 N ATOM 721 CA LYS A 47 -7.005 -24.580 1.182 1.00 0.00 C ATOM 722 C LYS A 47 -7.240 -23.197 0.604 1.00 0.00 C ATOM 723 O LYS A 47 -8.296 -22.600 0.807 1.00 0.00 O ATOM 724 CB LYS A 47 -6.231 -24.506 2.496 1.00 0.00 C ATOM 725 CG LYS A 47 -6.143 -25.860 3.175 1.00 0.00 C ATOM 726 CD LYS A 47 -5.269 -25.840 4.414 1.00 0.00 C ATOM 727 CE LYS A 47 -5.164 -27.234 5.012 1.00 0.00 C ATOM 728 NZ LYS A 47 -4.514 -28.202 4.082 1.00 0.00 N ATOM 0 H LYS A 47 -5.292 -25.556 0.488 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.981 -25.025 1.374 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.226 -24.129 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.717 -23.795 3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.145 -26.190 3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.748 -26.590 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.275 -25.471 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.686 -25.152 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.594 -27.187 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.161 -27.593 5.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.100 -29.058 4.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.414 -27.767 3.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.574 -28.457 4.447 1.00 0.00 H new ATOM 742 N ILE A 48 -6.253 -22.708 -0.132 1.00 0.00 N ATOM 743 CA ILE A 48 -6.332 -21.415 -0.784 1.00 0.00 C ATOM 744 C ILE A 48 -7.547 -21.333 -1.708 1.00 0.00 C ATOM 745 O ILE A 48 -8.395 -20.455 -1.545 1.00 0.00 O ATOM 746 CB ILE A 48 -5.039 -21.131 -1.573 1.00 0.00 C ATOM 747 CG1 ILE A 48 -3.858 -20.996 -0.608 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.187 -19.884 -2.427 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.529 -20.775 -1.294 1.00 0.00 C ATOM 0 H ILE A 48 -5.374 -23.200 -0.293 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.447 -20.656 -0.010 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.848 -21.969 -2.243 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.049 -20.164 0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.795 -21.897 0.002 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.261 -19.705 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.005 -20.022 -3.134 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.401 -19.028 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.742 -20.689 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.314 -21.618 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.571 -19.858 -1.882 1.00 0.00 H new ATOM 761 N LYS A 49 -7.638 -22.246 -2.675 1.00 0.00 N ATOM 762 CA LYS A 49 -8.777 -22.267 -3.584 1.00 0.00 C ATOM 763 C LYS A 49 -10.092 -22.455 -2.839 1.00 0.00 C ATOM 764 O LYS A 49 -11.081 -21.802 -3.161 1.00 0.00 O ATOM 765 CB LYS A 49 -8.596 -23.366 -4.615 1.00 0.00 C ATOM 766 CG LYS A 49 -7.304 -23.224 -5.380 1.00 0.00 C ATOM 767 CD LYS A 49 -7.135 -24.325 -6.394 1.00 0.00 C ATOM 768 CE LYS A 49 -5.738 -24.306 -6.970 1.00 0.00 C ATOM 769 NZ LYS A 49 -4.708 -24.574 -5.938 1.00 0.00 N ATOM 0 H LYS A 49 -6.943 -22.973 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.820 -21.301 -4.087 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.617 -24.335 -4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.433 -23.348 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.284 -22.258 -5.884 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.465 -23.238 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.329 -25.290 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.866 -24.206 -7.194 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.662 -25.052 -7.761 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.548 -23.335 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -3.883 -25.028 -6.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.416 -23.678 -5.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.101 -25.204 -5.210 1.00 0.00 H new ATOM 783 N THR A 50 -10.096 -23.335 -1.845 1.00 0.00 N ATOM 784 CA THR A 50 -11.295 -23.590 -1.061 1.00 0.00 C ATOM 785 C THR A 50 -11.759 -22.319 -0.349 1.00 0.00 C ATOM 786 O THR A 50 -12.942 -21.976 -0.375 1.00 0.00 O ATOM 787 CB THR A 50 -11.051 -24.708 -0.025 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.612 -25.901 -0.686 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.313 -25.002 0.769 1.00 0.00 C ATOM 0 H THR A 50 -9.283 -23.883 -1.564 1.00 0.00 H new ATOM 0 HA THR A 50 -12.076 -23.915 -1.749 1.00 0.00 H new ATOM 0 HB THR A 50 -10.279 -24.367 0.665 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.646 -25.850 -0.845 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.112 -25.793 1.491 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.630 -24.102 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.104 -25.322 0.090 1.00 0.00 H new ATOM 797 N ALA A 51 -10.817 -21.613 0.265 1.00 0.00 N ATOM 798 CA ALA A 51 -11.120 -20.371 0.961 1.00 0.00 C ATOM 799 C ALA A 51 -11.670 -19.330 -0.003 1.00 0.00 C ATOM 800 O ALA A 51 -12.713 -18.729 0.251 1.00 0.00 O ATOM 801 CB ALA A 51 -9.880 -19.837 1.663 1.00 0.00 C ATOM 0 H ALA A 51 -9.834 -21.882 0.294 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.883 -20.581 1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.125 -18.908 2.178 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.527 -20.571 2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.098 -19.648 0.927 1.00 0.00 H new ATOM 807 N LEU A 52 -10.972 -19.136 -1.117 1.00 0.00 N ATOM 808 CA LEU A 52 -11.361 -18.131 -2.098 1.00 0.00 C ATOM 809 C LEU A 52 -12.711 -18.452 -2.726 1.00 0.00 C ATOM 810 O LEU A 52 -13.532 -17.560 -2.919 1.00 0.00 O ATOM 811 CB LEU A 52 -10.297 -18.001 -3.187 1.00 0.00 C ATOM 812 CG LEU A 52 -8.967 -17.405 -2.724 1.00 0.00 C ATOM 813 CD1 LEU A 52 -7.976 -17.357 -3.874 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.182 -16.013 -2.151 1.00 0.00 C ATOM 0 H LEU A 52 -10.133 -19.662 -1.363 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.451 -17.181 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.108 -18.988 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.695 -17.382 -3.991 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.556 -18.043 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.035 -16.930 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.801 -18.367 -4.246 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.380 -16.740 -4.677 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.226 -15.602 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.613 -15.367 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.861 -16.071 -1.300 1.00 0.00 H new ATOM 826 N ASP A 53 -12.947 -19.722 -3.035 1.00 0.00 N ATOM 827 CA ASP A 53 -14.211 -20.123 -3.648 1.00 0.00 C ATOM 828 C ASP A 53 -15.350 -20.027 -2.642 1.00 0.00 C ATOM 829 O ASP A 53 -16.481 -19.700 -3.004 1.00 0.00 O ATOM 830 CB ASP A 53 -14.134 -21.542 -4.216 1.00 0.00 C ATOM 831 CG ASP A 53 -15.423 -21.949 -4.910 1.00 0.00 C ATOM 832 OD1 ASP A 53 -16.062 -22.925 -4.464 1.00 0.00 O ATOM 833 OD2 ASP A 53 -15.812 -21.285 -5.896 1.00 0.00 O ATOM 0 H ASP A 53 -12.289 -20.485 -2.874 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.406 -19.437 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.306 -21.605 -4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.919 -22.244 -3.410 1.00 0.00 H new ATOM 838 N HIS A 54 -15.053 -20.313 -1.379 1.00 0.00 N ATOM 839 CA HIS A 54 -16.030 -20.145 -0.311 1.00 0.00 C ATOM 840 C HIS A 54 -16.401 -18.672 -0.187 1.00 0.00 C ATOM 841 O HIS A 54 -17.580 -18.319 -0.166 1.00 0.00 O ATOM 842 CB HIS A 54 -15.481 -20.675 1.019 1.00 0.00 C ATOM 843 CG HIS A 54 -16.450 -20.559 2.150 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.538 -21.393 2.251 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.461 -19.686 3.180 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.188 -21.007 3.334 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.570 -19.978 3.930 1.00 0.00 N ATOM 0 H HIS A 54 -14.145 -20.662 -1.071 1.00 0.00 H new ATOM 0 HA HIS A 54 -16.923 -20.720 -0.556 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.201 -21.721 0.897 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.572 -20.129 1.272 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.737 -18.909 3.375 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.100 -21.462 3.693 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -17.869 -19.502 4.781 1.00 0.00 H new ATOM 855 N ILE A 55 -15.379 -17.821 -0.117 1.00 0.00 N ATOM 856 CA ILE A 55 -15.570 -16.375 -0.126 1.00 0.00 C ATOM 857 C ILE A 55 -16.401 -15.963 -1.338 1.00 0.00 C ATOM 858 O ILE A 55 -17.386 -15.245 -1.212 1.00 0.00 O ATOM 859 CB ILE A 55 -14.212 -15.634 -0.160 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.448 -15.864 1.147 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.410 -14.144 -0.408 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.061 -15.255 1.158 1.00 0.00 C ATOM 0 H ILE A 55 -14.404 -18.113 -0.053 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.094 -16.101 0.789 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.624 -16.038 -0.984 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -14.025 -15.447 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.366 -16.936 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.440 -13.646 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -14.912 -13.998 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.020 -13.720 0.390 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.582 -15.459 2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.466 -15.690 0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.136 -14.177 1.012 1.00 0.00 H new ATOM 874 N LYS A 56 -15.991 -16.453 -2.499 1.00 0.00 N ATOM 875 CA LYS A 56 -16.681 -16.206 -3.760 1.00 0.00 C ATOM 876 C LYS A 56 -18.157 -16.585 -3.674 1.00 0.00 C ATOM 877 O LYS A 56 -19.025 -15.847 -4.136 1.00 0.00 O ATOM 878 CB LYS A 56 -15.969 -16.997 -4.865 1.00 0.00 C ATOM 879 CG LYS A 56 -16.798 -17.272 -6.107 1.00 0.00 C ATOM 880 CD LYS A 56 -15.939 -17.893 -7.195 1.00 0.00 C ATOM 881 CE LYS A 56 -16.775 -18.656 -8.206 1.00 0.00 C ATOM 882 NZ LYS A 56 -17.421 -19.848 -7.596 1.00 0.00 N ATOM 0 H LYS A 56 -15.162 -17.039 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 56 -16.647 -15.141 -3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.074 -16.450 -5.160 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -15.639 -17.950 -4.451 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -17.622 -17.941 -5.860 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.239 -16.344 -6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.376 -17.111 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -15.211 -18.567 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -17.540 -17.997 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.144 -18.969 -9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.492 -20.605 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -16.850 -20.179 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.373 -19.595 -7.264 1.00 0.00 H new ATOM 896 N SER A 57 -18.435 -17.722 -3.059 1.00 0.00 N ATOM 897 CA SER A 57 -19.798 -18.204 -2.925 1.00 0.00 C ATOM 898 C SER A 57 -20.611 -17.319 -1.979 1.00 0.00 C ATOM 899 O SER A 57 -21.702 -16.864 -2.331 1.00 0.00 O ATOM 900 CB SER A 57 -19.787 -19.651 -2.433 1.00 0.00 C ATOM 901 OG SER A 57 -19.094 -20.491 -3.344 1.00 0.00 O ATOM 0 H SER A 57 -17.730 -18.331 -2.643 1.00 0.00 H new ATOM 0 HA SER A 57 -20.276 -18.162 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.313 -19.702 -1.453 1.00 0.00 H new ATOM 0 HB3 SER A 57 -20.810 -20.006 -2.312 1.00 0.00 H new ATOM 0 HG SER A 57 -18.135 -20.292 -3.308 1.00 0.00 H new ATOM 907 N GLU A 58 -20.073 -17.076 -0.785 1.00 0.00 N ATOM 908 CA GLU A 58 -20.731 -16.239 0.209 1.00 0.00 C ATOM 909 C GLU A 58 -20.920 -14.810 -0.302 1.00 0.00 C ATOM 910 O GLU A 58 -22.026 -14.274 -0.284 1.00 0.00 O ATOM 911 CB GLU A 58 -19.907 -16.224 1.500 1.00 0.00 C ATOM 912 CG GLU A 58 -19.814 -17.575 2.187 1.00 0.00 C ATOM 913 CD GLU A 58 -21.172 -18.117 2.575 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.547 -19.202 2.086 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.877 -17.448 3.358 1.00 0.00 O ATOM 0 H GLU A 58 -19.174 -17.452 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.717 -16.660 0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.900 -15.873 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.347 -15.505 2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.318 -18.284 1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.193 -17.485 3.078 1.00 0.00 H new ATOM 922 N LEU A 59 -19.836 -14.216 -0.783 1.00 0.00 N ATOM 923 CA LEU A 59 -19.831 -12.819 -1.213 1.00 0.00 C ATOM 924 C LEU A 59 -20.842 -12.576 -2.336 1.00 0.00 C ATOM 925 O LEU A 59 -21.403 -11.482 -2.457 1.00 0.00 O ATOM 926 CB LEU A 59 -18.419 -12.443 -1.670 1.00 0.00 C ATOM 927 CG LEU A 59 -18.193 -10.973 -2.015 1.00 0.00 C ATOM 928 CD1 LEU A 59 -18.485 -10.087 -0.817 1.00 0.00 C ATOM 929 CD2 LEU A 59 -16.766 -10.770 -2.492 1.00 0.00 C ATOM 0 H LEU A 59 -18.936 -14.685 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.125 -12.191 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -17.718 -12.722 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -18.171 -13.043 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 59 -18.878 -10.693 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.317 -9.044 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.522 -10.220 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.825 -10.360 0.007 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.610 -9.719 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -16.073 -11.066 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.588 -11.379 -3.378 1.00 0.00 H new ATOM 941 N ASP A 60 -21.079 -13.607 -3.139 1.00 0.00 N ATOM 942 CA ASP A 60 -22.025 -13.525 -4.248 1.00 0.00 C ATOM 943 C ASP A 60 -23.466 -13.533 -3.744 1.00 0.00 C ATOM 944 O ASP A 60 -24.344 -12.922 -4.353 1.00 0.00 O ATOM 945 CB ASP A 60 -21.802 -14.687 -5.218 1.00 0.00 C ATOM 946 CG ASP A 60 -22.739 -14.646 -6.409 1.00 0.00 C ATOM 947 OD1 ASP A 60 -22.561 -13.776 -7.290 1.00 0.00 O ATOM 948 OD2 ASP A 60 -23.649 -15.499 -6.482 1.00 0.00 O ATOM 0 H ASP A 60 -20.626 -14.516 -3.042 1.00 0.00 H new ATOM 0 HA ASP A 60 -21.853 -12.584 -4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -20.771 -14.666 -5.572 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -21.938 -15.629 -4.687 1.00 0.00 H new ATOM 953 N LYS A 61 -23.696 -14.206 -2.618 1.00 0.00 N ATOM 954 CA LYS A 61 -25.035 -14.319 -2.040 1.00 0.00 C ATOM 955 C LYS A 61 -25.609 -12.947 -1.714 1.00 0.00 C ATOM 956 O LYS A 61 -26.807 -12.711 -1.870 1.00 0.00 O ATOM 957 CB LYS A 61 -25.001 -15.159 -0.764 1.00 0.00 C ATOM 958 CG LYS A 61 -24.606 -16.604 -0.987 1.00 0.00 C ATOM 959 CD LYS A 61 -24.496 -17.348 0.331 1.00 0.00 C ATOM 960 CE LYS A 61 -24.185 -18.817 0.113 1.00 0.00 C ATOM 961 NZ LYS A 61 -24.047 -19.552 1.396 1.00 0.00 N ATOM 0 H LYS A 61 -22.969 -14.684 -2.085 1.00 0.00 H new ATOM 0 HA LYS A 61 -25.670 -14.805 -2.781 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.301 -14.706 -0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -25.985 -15.130 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.344 -17.092 -1.624 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -23.653 -16.647 -1.513 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -23.715 -16.896 0.942 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.430 -17.250 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -24.978 -19.271 -0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.263 -18.911 -0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -24.621 -20.419 1.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -23.049 -19.803 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -24.374 -18.950 2.178 1.00 0.00 H new ATOM 975 N CYS A 62 -24.750 -12.049 -1.263 1.00 0.00 N ATOM 976 CA CYS A 62 -25.174 -10.711 -0.890 1.00 0.00 C ATOM 977 C CYS A 62 -25.196 -9.801 -2.113 1.00 0.00 C ATOM 978 O CYS A 62 -24.155 -9.328 -2.565 1.00 0.00 O ATOM 979 CB CYS A 62 -24.236 -10.144 0.175 1.00 0.00 C ATOM 980 SG CYS A 62 -23.890 -11.305 1.535 1.00 0.00 S ATOM 0 H CYS A 62 -23.752 -12.223 -1.146 1.00 0.00 H new ATOM 0 HA CYS A 62 -26.183 -10.764 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -23.295 -9.859 -0.296 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -24.675 -9.235 0.587 1.00 0.00 H new ATOM 985 N ASN A 63 -26.385 -9.571 -2.653 1.00 0.00 N ATOM 986 CA ASN A 63 -26.554 -8.720 -3.814 1.00 0.00 C ATOM 987 C ASN A 63 -27.885 -7.987 -3.711 1.00 0.00 C ATOM 988 O ASN A 63 -28.958 -8.585 -3.764 1.00 0.00 O ATOM 989 CB ASN A 63 -26.444 -9.512 -5.135 1.00 0.00 C ATOM 990 CG ASN A 63 -27.355 -10.728 -5.206 1.00 0.00 C ATOM 991 OD1 ASN A 63 -28.512 -10.631 -5.608 1.00 0.00 O ATOM 992 ND2 ASN A 63 -26.824 -11.891 -4.857 1.00 0.00 N ATOM 0 H ASN A 63 -27.254 -9.969 -2.297 1.00 0.00 H new ATOM 0 HA ASN A 63 -25.745 -7.990 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -26.678 -8.847 -5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -25.412 -9.836 -5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -27.380 -12.744 -4.918 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -25.860 -11.933 -4.528 1.00 0.00 H new ATOM 999 N GLY A 64 -27.788 -6.692 -3.513 1.00 0.00 N ATOM 1000 CA GLY A 64 -28.955 -5.858 -3.319 1.00 0.00 C ATOM 1001 C GLY A 64 -28.556 -4.468 -2.879 1.00 0.00 C ATOM 1002 O GLY A 64 -27.391 -4.096 -2.995 1.00 0.00 O ATOM 0 H GLY A 64 -26.902 -6.187 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.525 -5.801 -4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -29.608 -6.307 -2.571 1.00 0.00 H new ATOM 1006 N ASN A 65 -29.498 -3.708 -2.342 1.00 0.00 N ATOM 1007 CA ASN A 65 -29.232 -2.322 -1.960 1.00 0.00 C ATOM 1008 C ASN A 65 -28.400 -2.250 -0.678 1.00 0.00 C ATOM 1009 O ASN A 65 -27.795 -1.223 -0.384 1.00 0.00 O ATOM 1010 CB ASN A 65 -30.543 -1.545 -1.787 1.00 0.00 C ATOM 1011 CG ASN A 65 -31.333 -1.962 -0.558 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -32.126 -2.905 -0.606 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -31.135 -1.252 0.542 1.00 0.00 N ATOM 0 H ASN A 65 -30.451 -4.022 -2.160 1.00 0.00 H new ATOM 0 HA ASN A 65 -28.657 -1.862 -2.764 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -30.320 -0.480 -1.722 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -31.161 -1.688 -2.673 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -31.649 -1.478 1.394 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -30.469 -0.480 0.537 1.00 0.00 H new ATOM 1020 N ASP A 66 -28.368 -3.341 0.079 1.00 0.00 N ATOM 1021 CA ASP A 66 -27.597 -3.386 1.322 1.00 0.00 C ATOM 1022 C ASP A 66 -26.334 -4.215 1.145 1.00 0.00 C ATOM 1023 O ASP A 66 -25.641 -4.531 2.115 1.00 0.00 O ATOM 1024 CB ASP A 66 -28.432 -3.975 2.463 1.00 0.00 C ATOM 1025 CG ASP A 66 -29.594 -3.090 2.860 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -29.353 -1.972 3.362 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -30.756 -3.511 2.681 1.00 0.00 O ATOM 0 H ASP A 66 -28.864 -4.204 -0.143 1.00 0.00 H new ATOM 0 HA ASP A 66 -27.322 -2.362 1.574 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -28.812 -4.951 2.162 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -27.791 -4.136 3.330 1.00 0.00 H new ATOM 1032 N ALA A 67 -26.024 -4.548 -0.100 1.00 0.00 N ATOM 1033 CA ALA A 67 -24.897 -5.422 -0.402 1.00 0.00 C ATOM 1034 C ALA A 67 -23.571 -4.784 -0.014 1.00 0.00 C ATOM 1035 O ALA A 67 -22.699 -5.455 0.528 1.00 0.00 O ATOM 1036 CB ALA A 67 -24.890 -5.786 -1.873 1.00 0.00 C ATOM 0 H ALA A 67 -26.538 -4.226 -0.920 1.00 0.00 H new ATOM 0 HA ALA A 67 -25.017 -6.329 0.190 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -24.043 -6.439 -2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -25.816 -6.302 -2.124 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -24.806 -4.879 -2.472 1.00 0.00 H new ATOM 1042 N ASP A 68 -23.441 -3.486 -0.279 1.00 0.00 N ATOM 1043 CA ASP A 68 -22.198 -2.751 -0.012 1.00 0.00 C ATOM 1044 C ASP A 68 -21.744 -2.948 1.429 1.00 0.00 C ATOM 1045 O ASP A 68 -20.569 -3.209 1.701 1.00 0.00 O ATOM 1046 CB ASP A 68 -22.401 -1.257 -0.267 1.00 0.00 C ATOM 1047 CG ASP A 68 -21.099 -0.478 -0.273 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -20.626 -0.119 -1.369 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -20.549 -0.204 0.817 1.00 0.00 O ATOM 0 H ASP A 68 -24.184 -2.915 -0.681 1.00 0.00 H new ATOM 0 HA ASP A 68 -21.433 -3.141 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.904 -1.122 -1.224 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -23.060 -0.849 0.500 1.00 0.00 H new ATOM 1054 N GLN A 69 -22.697 -2.843 2.339 1.00 0.00 N ATOM 1055 CA GLN A 69 -22.417 -2.937 3.758 1.00 0.00 C ATOM 1056 C GLN A 69 -22.000 -4.353 4.122 1.00 0.00 C ATOM 1057 O GLN A 69 -20.941 -4.569 4.702 1.00 0.00 O ATOM 1058 CB GLN A 69 -23.655 -2.541 4.565 1.00 0.00 C ATOM 1059 CG GLN A 69 -23.337 -2.106 5.984 1.00 0.00 C ATOM 1060 CD GLN A 69 -22.615 -0.777 6.019 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -23.242 0.281 6.088 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -21.298 -0.819 5.966 1.00 0.00 N ATOM 0 H GLN A 69 -23.680 -2.691 2.115 1.00 0.00 H new ATOM 0 HA GLN A 69 -21.600 -2.255 3.996 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -24.170 -1.729 4.051 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -24.344 -3.385 4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -24.261 -2.032 6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.723 -2.866 6.467 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.818 -1.717 5.909 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -20.759 0.047 5.982 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.832 -5.317 3.750 1.00 0.00 N ATOM 1072 CA GLN A 70 -22.588 -6.710 4.091 1.00 0.00 C ATOM 1073 C GLN A 70 -21.286 -7.215 3.476 1.00 0.00 C ATOM 1074 O GLN A 70 -20.559 -7.986 4.099 1.00 0.00 O ATOM 1075 CB GLN A 70 -23.765 -7.565 3.640 1.00 0.00 C ATOM 1076 CG GLN A 70 -25.095 -7.101 4.216 1.00 0.00 C ATOM 1077 CD GLN A 70 -25.090 -7.044 5.733 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -24.758 -6.018 6.327 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -25.448 -8.144 6.372 1.00 0.00 N ATOM 0 H GLN A 70 -23.683 -5.158 3.211 1.00 0.00 H new ATOM 0 HA GLN A 70 -22.487 -6.786 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -23.822 -7.549 2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -23.589 -8.599 3.935 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -25.333 -6.113 3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -25.885 -7.775 3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -25.717 -8.975 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -25.455 -8.162 7.392 1.00 0.00 H new ATOM 1088 N LYS A 71 -20.989 -6.769 2.259 1.00 0.00 N ATOM 1089 CA LYS A 71 -19.732 -7.116 1.604 1.00 0.00 C ATOM 1090 C LYS A 71 -18.551 -6.574 2.398 1.00 0.00 C ATOM 1091 O LYS A 71 -17.522 -7.234 2.530 1.00 0.00 O ATOM 1092 CB LYS A 71 -19.683 -6.566 0.177 1.00 0.00 C ATOM 1093 CG LYS A 71 -20.619 -7.269 -0.790 1.00 0.00 C ATOM 1094 CD LYS A 71 -20.585 -6.612 -2.158 1.00 0.00 C ATOM 1095 CE LYS A 71 -21.426 -7.370 -3.169 1.00 0.00 C ATOM 1096 NZ LYS A 71 -20.882 -8.727 -3.448 1.00 0.00 N ATOM 0 H LYS A 71 -21.601 -6.167 1.707 1.00 0.00 H new ATOM 0 HA LYS A 71 -19.671 -8.203 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -19.931 -5.505 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -18.663 -6.647 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -20.334 -8.317 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -21.636 -7.247 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -20.948 -5.587 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -19.555 -6.558 -2.510 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -22.446 -7.459 -2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -21.474 -6.802 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -21.028 -8.960 -4.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.865 -8.744 -3.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -21.373 -9.426 -2.855 1.00 0.00 H new ATOM 1110 N THR A 72 -18.711 -5.375 2.937 1.00 0.00 N ATOM 1111 CA THR A 72 -17.659 -4.756 3.722 1.00 0.00 C ATOM 1112 C THR A 72 -17.516 -5.436 5.086 1.00 0.00 C ATOM 1113 O THR A 72 -16.402 -5.643 5.573 1.00 0.00 O ATOM 1114 CB THR A 72 -17.912 -3.246 3.888 1.00 0.00 C ATOM 1115 OG1 THR A 72 -17.941 -2.630 2.592 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.835 -2.594 4.741 1.00 0.00 C ATOM 0 H THR A 72 -19.558 -4.814 2.844 1.00 0.00 H new ATOM 0 HA THR A 72 -16.721 -4.885 3.182 1.00 0.00 H new ATOM 0 HB THR A 72 -18.868 -3.108 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.825 -2.758 2.189 1.00 0.00 H new ATOM 0 HG21 THR A 72 -17.043 -1.529 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.826 -3.054 5.729 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.863 -2.732 4.268 1.00 0.00 H new ATOM 1124 N THR A 73 -18.637 -5.810 5.682 1.00 0.00 N ATOM 1125 CA THR A 73 -18.621 -6.550 6.935 1.00 0.00 C ATOM 1126 C THR A 73 -18.005 -7.935 6.728 1.00 0.00 C ATOM 1127 O THR A 73 -17.353 -8.486 7.621 1.00 0.00 O ATOM 1128 CB THR A 73 -20.045 -6.689 7.508 1.00 0.00 C ATOM 1129 OG1 THR A 73 -20.662 -5.398 7.568 1.00 0.00 O ATOM 1130 CG2 THR A 73 -20.024 -7.305 8.899 1.00 0.00 C ATOM 0 H THR A 73 -19.570 -5.614 5.319 1.00 0.00 H new ATOM 0 HA THR A 73 -18.013 -5.994 7.648 1.00 0.00 H new ATOM 0 HB THR A 73 -20.614 -7.348 6.852 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.875 -5.095 6.661 1.00 0.00 H new ATOM 0 HG21 THR A 73 -21.044 -7.389 9.275 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.572 -8.296 8.851 1.00 0.00 H new ATOM 0 HG23 THR A 73 -19.442 -6.672 9.569 1.00 0.00 H new ATOM 1138 N PHE A 74 -18.198 -8.485 5.534 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.624 -9.773 5.178 1.00 0.00 C ATOM 1140 C PHE A 74 -16.100 -9.680 5.117 1.00 0.00 C ATOM 1141 O PHE A 74 -15.403 -10.632 5.464 1.00 0.00 O ATOM 1142 CB PHE A 74 -18.192 -10.257 3.841 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.801 -11.662 3.486 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.842 -12.673 4.436 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.407 -11.978 2.197 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -17.494 -13.969 4.104 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.056 -13.269 1.861 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.100 -14.265 2.813 1.00 0.00 C ATOM 0 H PHE A 74 -18.752 -8.054 4.794 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.891 -10.498 5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -19.279 -10.191 3.874 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.856 -9.586 3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -18.149 -12.445 5.446 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -17.374 -11.204 1.445 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -17.530 -14.748 4.851 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -16.747 -13.499 0.852 1.00 0.00 H new ATOM 0 HZ PHE A 74 -16.827 -15.276 2.550 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.592 -8.524 4.691 1.00 0.00 N ATOM 1159 CA LYS A 75 -14.157 -8.260 4.713 1.00 0.00 C ATOM 1160 C LYS A 75 -13.624 -8.438 6.129 1.00 0.00 C ATOM 1161 O LYS A 75 -12.603 -9.088 6.354 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.875 -6.831 4.244 1.00 0.00 C ATOM 1163 CG LYS A 75 -14.326 -6.535 2.825 1.00 0.00 C ATOM 1164 CD LYS A 75 -14.320 -5.043 2.555 1.00 0.00 C ATOM 1165 CE LYS A 75 -14.769 -4.725 1.139 1.00 0.00 C ATOM 1166 NZ LYS A 75 -15.302 -3.340 1.028 1.00 0.00 N ATOM 0 H LYS A 75 -16.155 -7.756 4.326 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.661 -8.962 4.042 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.369 -6.135 4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.804 -6.642 4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.668 -7.039 2.117 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -15.328 -6.933 2.667 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.977 -4.542 3.266 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.317 -4.648 2.716 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.929 -4.848 0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.536 -5.436 0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.519 -3.130 0.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -16.168 -3.255 1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.591 -2.666 1.377 1.00 0.00 H new ATOM 1180 N GLN A 76 -14.357 -7.871 7.078 1.00 0.00 N ATOM 1181 CA GLN A 76 -14.019 -7.947 8.483 1.00 0.00 C ATOM 1182 C GLN A 76 -14.144 -9.384 8.980 1.00 0.00 C ATOM 1183 O GLN A 76 -13.371 -9.839 9.822 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.971 -7.041 9.256 1.00 0.00 C ATOM 1185 CG GLN A 76 -14.982 -5.597 8.770 1.00 0.00 C ATOM 1186 CD GLN A 76 -16.097 -4.775 9.393 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -16.459 -5.099 10.624 1.00 0.00 O flip ATOM 1188 NE2 GLN A 76 -16.622 -3.848 8.773 1.00 0.00 N flip ATOM 0 H GLN A 76 -15.208 -7.343 6.887 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.989 -7.624 8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.981 -7.446 9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.696 -7.057 10.311 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.023 -5.134 9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.090 -5.584 7.685 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.315 -3.630 7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -17.364 -3.299 9.208 1.00 0.00 H new ATOM 1197 N THR A 77 -15.128 -10.084 8.442 1.00 0.00 N ATOM 1198 CA THR A 77 -15.362 -11.478 8.776 1.00 0.00 C ATOM 1199 C THR A 77 -14.169 -12.343 8.366 1.00 0.00 C ATOM 1200 O THR A 77 -13.615 -13.085 9.181 1.00 0.00 O ATOM 1201 CB THR A 77 -16.637 -11.990 8.079 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.755 -11.156 8.425 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.935 -13.436 8.463 1.00 0.00 C ATOM 0 H THR A 77 -15.786 -9.703 7.762 1.00 0.00 H new ATOM 0 HA THR A 77 -15.491 -11.548 9.856 1.00 0.00 H new ATOM 0 HB THR A 77 -16.471 -11.950 7.002 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.616 -10.256 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.840 -13.768 7.955 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.100 -14.071 8.167 1.00 0.00 H new ATOM 0 HG23 THR A 77 -17.078 -13.504 9.541 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.761 -12.220 7.105 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.649 -13.000 6.578 1.00 0.00 C ATOM 1213 C VAL A 78 -11.351 -12.651 7.298 1.00 0.00 C ATOM 1214 O VAL A 78 -10.503 -13.519 7.529 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.472 -12.789 5.061 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.391 -13.702 4.517 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.780 -13.037 4.331 1.00 0.00 C ATOM 0 H VAL A 78 -14.187 -11.585 6.429 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.885 -14.050 6.753 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.170 -11.755 4.896 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.282 -13.538 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.446 -13.485 5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.667 -14.741 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.635 -12.883 3.262 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.107 -14.061 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.538 -12.345 4.697 1.00 0.00 H new ATOM 1227 N GLN A 79 -11.211 -11.379 7.663 1.00 0.00 N ATOM 1228 CA GLN A 79 -10.067 -10.903 8.418 1.00 0.00 C ATOM 1229 C GLN A 79 -9.847 -11.754 9.664 1.00 0.00 C ATOM 1230 O GLN A 79 -8.767 -12.310 9.870 1.00 0.00 O ATOM 1231 CB GLN A 79 -10.309 -9.449 8.814 1.00 0.00 C ATOM 1232 CG GLN A 79 -9.198 -8.504 8.415 1.00 0.00 C ATOM 1233 CD GLN A 79 -7.914 -8.733 9.192 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -7.937 -9.212 10.327 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -6.793 -8.359 8.600 1.00 0.00 N ATOM 0 H GLN A 79 -11.891 -10.652 7.441 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.173 -10.977 7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.240 -9.110 8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -10.445 -9.396 9.894 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.997 -8.619 7.350 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.530 -7.477 8.568 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.820 -7.967 7.659 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.901 -8.463 9.084 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.891 -11.885 10.470 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.781 -12.635 11.703 1.00 0.00 C ATOM 1246 C GLY A 80 -10.702 -14.123 11.447 1.00 0.00 C ATOM 1247 O GLY A 80 -10.098 -14.867 12.218 1.00 0.00 O ATOM 0 H GLY A 80 -11.812 -11.485 10.291 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.894 -12.312 12.248 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.641 -12.420 12.338 1.00 0.00 H new ATOM 1251 N ALA A 81 -11.291 -14.546 10.338 1.00 0.00 N ATOM 1252 CA ALA A 81 -11.325 -15.952 9.974 1.00 0.00 C ATOM 1253 C ALA A 81 -9.922 -16.480 9.682 1.00 0.00 C ATOM 1254 O ALA A 81 -9.506 -17.504 10.226 1.00 0.00 O ATOM 1255 CB ALA A 81 -12.237 -16.162 8.776 1.00 0.00 C ATOM 0 H ALA A 81 -11.755 -13.929 9.671 1.00 0.00 H new ATOM 0 HA ALA A 81 -11.722 -16.514 10.820 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.254 -17.220 8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -13.246 -15.834 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.866 -15.584 7.930 1.00 0.00 H new ATOM 1261 N LEU A 82 -9.187 -15.768 8.836 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.836 -16.186 8.465 1.00 0.00 C ATOM 1263 C LEU A 82 -6.829 -15.859 9.554 1.00 0.00 C ATOM 1264 O LEU A 82 -5.659 -16.233 9.472 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.412 -15.547 7.143 1.00 0.00 C ATOM 1266 CG LEU A 82 -8.240 -15.958 5.926 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.775 -15.203 4.696 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.141 -17.459 5.692 1.00 0.00 C ATOM 0 H LEU A 82 -9.499 -14.903 8.395 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.855 -17.269 8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.464 -14.463 7.249 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.368 -15.799 6.954 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.283 -15.708 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.373 -15.505 3.836 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.892 -14.132 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.726 -15.429 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.737 -17.732 4.821 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.100 -17.732 5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.515 -17.989 6.568 1.00 0.00 H new ATOM 1280 N SER A 83 -7.299 -15.188 10.580 1.00 0.00 N ATOM 1281 CA SER A 83 -6.468 -14.885 11.733 1.00 0.00 C ATOM 1282 C SER A 83 -6.428 -16.082 12.673 1.00 0.00 C ATOM 1283 O SER A 83 -5.572 -16.173 13.554 1.00 0.00 O ATOM 1284 CB SER A 83 -6.981 -13.642 12.458 1.00 0.00 C ATOM 1285 OG SER A 83 -6.805 -12.484 11.656 1.00 0.00 O ATOM 0 H SER A 83 -8.255 -14.838 10.644 1.00 0.00 H new ATOM 0 HA SER A 83 -5.455 -14.677 11.390 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.037 -13.766 12.700 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.450 -13.521 13.402 1.00 0.00 H new ATOM 0 HG SER A 83 -7.374 -12.547 10.861 1.00 0.00 H new ATOM 1291 N GLY A 84 -7.362 -17.004 12.474 1.00 0.00 N ATOM 1292 CA GLY A 84 -7.352 -18.240 13.222 1.00 0.00 C ATOM 1293 C GLY A 84 -6.632 -19.338 12.466 1.00 0.00 C ATOM 1294 O GLY A 84 -5.849 -20.091 13.039 1.00 0.00 O ATOM 0 H GLY A 84 -8.127 -16.914 11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.866 -18.080 14.185 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.376 -18.550 13.429 1.00 0.00 H new ATOM 1298 N GLY A 85 -6.878 -19.410 11.167 1.00 0.00 N ATOM 1299 CA GLY A 85 -6.264 -20.428 10.349 1.00 0.00 C ATOM 1300 C GLY A 85 -7.176 -20.861 9.227 1.00 0.00 C ATOM 1301 O GLY A 85 -8.375 -21.051 9.429 1.00 0.00 O ATOM 0 H GLY A 85 -7.497 -18.775 10.664 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.330 -20.049 9.934 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.012 -21.290 10.967 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.607 -21.014 8.045 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.373 -21.394 6.866 1.00 0.00 C ATOM 1307 C ILE A 86 -7.810 -22.859 6.949 1.00 0.00 C ATOM 1308 O ILE A 86 -8.701 -23.301 6.227 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.540 -21.177 5.592 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.420 -21.245 4.344 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.423 -22.208 5.519 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.678 -20.882 3.079 1.00 0.00 C ATOM 0 H ILE A 86 -5.611 -20.880 7.873 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.261 -20.764 6.826 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.098 -20.182 5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -7.824 -22.253 4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.268 -20.572 4.467 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -4.838 -22.047 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.777 -22.107 6.391 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.853 -23.209 5.500 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.356 -20.949 2.228 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.297 -19.864 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.846 -21.571 2.935 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.178 -23.596 7.855 1.00 0.00 N ATOM 1325 CA ASP A 87 -7.446 -25.017 8.028 1.00 0.00 C ATOM 1326 C ASP A 87 -8.902 -25.248 8.426 1.00 0.00 C ATOM 1327 O ASP A 87 -9.528 -26.220 8.003 1.00 0.00 O ATOM 1328 CB ASP A 87 -6.508 -25.592 9.092 1.00 0.00 C ATOM 1329 CG ASP A 87 -6.615 -27.098 9.220 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -7.213 -27.575 10.201 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -6.085 -27.810 8.339 1.00 0.00 O ATOM 0 H ASP A 87 -6.468 -23.226 8.488 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.269 -25.525 7.080 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.480 -25.325 8.846 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.734 -25.134 10.055 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.439 -24.330 9.218 1.00 0.00 N ATOM 1337 CA GLY A 88 -10.820 -24.430 9.643 1.00 0.00 C ATOM 1338 C GLY A 88 -11.700 -23.390 8.982 1.00 0.00 C ATOM 1339 O GLY A 88 -12.825 -23.150 9.419 1.00 0.00 O ATOM 0 H GLY A 88 -8.940 -23.515 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.199 -25.425 9.410 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.874 -24.314 10.725 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.185 -22.771 7.924 1.00 0.00 N ATOM 1344 CA PHE A 89 -11.921 -21.743 7.205 1.00 0.00 C ATOM 1345 C PHE A 89 -13.047 -22.372 6.395 1.00 0.00 C ATOM 1346 O PHE A 89 -12.825 -23.288 5.598 1.00 0.00 O ATOM 1347 CB PHE A 89 -10.978 -20.947 6.289 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.627 -19.777 5.589 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -11.573 -18.502 6.137 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -12.284 -19.951 4.379 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -12.161 -17.428 5.490 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.875 -18.881 3.733 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.812 -17.618 4.288 1.00 0.00 C ATOM 0 H PHE A 89 -10.258 -22.966 7.547 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.356 -21.055 7.930 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.140 -20.580 6.882 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.567 -21.621 5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.067 -18.346 7.078 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -12.334 -20.935 3.936 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.110 -16.441 5.926 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -13.386 -19.033 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.271 -16.781 3.783 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.247 -21.882 6.626 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.414 -22.365 5.921 1.00 0.00 C ATOM 1365 C GLY A 90 -16.675 -21.827 6.554 1.00 0.00 C ATOM 1366 O GLY A 90 -16.624 -20.816 7.255 1.00 0.00 O ATOM 0 H GLY A 90 -14.440 -21.143 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.366 -22.060 4.876 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.429 -23.455 5.935 1.00 0.00 H new ATOM 1370 N SER A 91 -17.797 -22.506 6.351 1.00 0.00 N ATOM 1371 CA SER A 91 -19.065 -22.074 6.933 1.00 0.00 C ATOM 1372 C SER A 91 -19.071 -22.266 8.452 1.00 0.00 C ATOM 1373 O SER A 91 -20.072 -22.017 9.122 1.00 0.00 O ATOM 1374 CB SER A 91 -20.227 -22.832 6.283 1.00 0.00 C ATOM 1375 OG SER A 91 -19.964 -24.224 6.220 1.00 0.00 O ATOM 0 H SER A 91 -17.857 -23.356 5.790 1.00 0.00 H new ATOM 0 HA SER A 91 -19.188 -21.009 6.736 1.00 0.00 H new ATOM 0 HB2 SER A 91 -21.141 -22.658 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.398 -22.446 5.278 1.00 0.00 H new ATOM 0 HG SER A 91 -20.723 -24.682 5.802 1.00 0.00 H new ATOM 1381 N ASN A 92 -17.940 -22.705 8.988 1.00 0.00 N ATOM 1382 CA ASN A 92 -17.775 -22.868 10.421 1.00 0.00 C ATOM 1383 C ASN A 92 -17.512 -21.521 11.071 1.00 0.00 C ATOM 1384 O ASN A 92 -18.013 -21.236 12.155 1.00 0.00 O ATOM 1385 CB ASN A 92 -16.608 -23.810 10.722 1.00 0.00 C ATOM 1386 CG ASN A 92 -16.861 -25.230 10.262 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -17.992 -25.716 10.299 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -15.812 -25.903 9.817 1.00 0.00 N ATOM 0 H ASN A 92 -17.116 -22.956 8.442 1.00 0.00 H new ATOM 0 HA ASN A 92 -18.692 -23.296 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.708 -23.432 10.237 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.416 -23.810 11.795 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.924 -26.862 9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -14.892 -25.463 9.803 1.00 0.00 H new ATOM 1395 N ASN A 93 -16.734 -20.686 10.392 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.314 -19.415 10.964 1.00 0.00 C ATOM 1397 C ASN A 93 -16.633 -18.231 10.049 1.00 0.00 C ATOM 1398 O ASN A 93 -16.865 -17.121 10.528 1.00 0.00 O ATOM 1399 CB ASN A 93 -14.814 -19.449 11.291 1.00 0.00 C ATOM 1400 CG ASN A 93 -13.924 -19.620 10.068 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.325 -20.190 9.051 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.695 -19.139 10.170 1.00 0.00 N ATOM 0 H ASN A 93 -16.384 -20.865 9.451 1.00 0.00 H new ATOM 0 HA ASN A 93 -16.881 -19.271 11.884 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.542 -18.525 11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -14.621 -20.266 11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.044 -19.234 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.399 -18.673 11.028 1.00 0.00 H new ATOM 1409 N ALA A 94 -16.657 -18.459 8.741 1.00 0.00 N ATOM 1410 CA ALA A 94 -16.898 -17.383 7.788 1.00 0.00 C ATOM 1411 C ALA A 94 -18.144 -17.652 6.952 1.00 0.00 C ATOM 1412 O ALA A 94 -18.181 -18.587 6.157 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.684 -17.191 6.886 1.00 0.00 C ATOM 0 H ALA A 94 -16.513 -19.376 8.318 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.066 -16.466 8.353 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.879 -16.384 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.815 -16.939 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.488 -18.113 6.338 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.161 -16.831 7.152 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.400 -16.924 6.388 1.00 0.00 C ATOM 1421 C VAL A 95 -20.959 -15.537 6.133 1.00 0.00 C ATOM 1422 O VAL A 95 -20.797 -14.638 6.962 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.481 -17.760 7.110 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.186 -19.247 7.007 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.607 -17.342 8.572 1.00 0.00 C ATOM 0 H VAL A 95 -19.155 -16.083 7.845 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.151 -17.422 5.451 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.432 -17.568 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.964 -19.809 7.524 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.163 -19.541 5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.220 -19.459 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.374 -17.945 9.058 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.653 -17.493 9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -21.884 -16.289 8.627 1.00 0.00 H new ATOM 1435 N THR A 96 -21.602 -15.353 4.994 1.00 0.00 N ATOM 1436 CA THR A 96 -22.270 -14.096 4.723 1.00 0.00 C ATOM 1437 C THR A 96 -23.646 -14.057 5.369 1.00 0.00 C ATOM 1438 O THR A 96 -24.597 -14.682 4.890 1.00 0.00 O ATOM 1439 CB THR A 96 -22.402 -13.810 3.217 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.687 -15.018 2.497 1.00 0.00 O ATOM 1441 CG2 THR A 96 -21.136 -13.161 2.684 1.00 0.00 C ATOM 0 H THR A 96 -21.675 -16.049 4.252 1.00 0.00 H new ATOM 0 HA THR A 96 -21.642 -13.318 5.158 1.00 0.00 H new ATOM 0 HB THR A 96 -23.232 -13.118 3.072 1.00 0.00 H new ATOM 0 HG1 THR A 96 -23.544 -14.927 2.031 1.00 0.00 H new ATOM 0 HG21 THR A 96 -21.248 -12.966 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.960 -12.221 3.208 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.290 -13.829 2.844 1.00 0.00 H new ATOM 1449 N THR A 97 -23.739 -13.339 6.477 1.00 0.00 N ATOM 1450 CA THR A 97 -25.010 -13.109 7.132 1.00 0.00 C ATOM 1451 C THR A 97 -25.838 -12.115 6.327 1.00 0.00 C ATOM 1452 O THR A 97 -25.937 -10.939 6.673 1.00 0.00 O ATOM 1453 CB THR A 97 -24.817 -12.596 8.573 1.00 0.00 C ATOM 1454 OG1 THR A 97 -23.855 -11.530 8.590 1.00 0.00 O ATOM 1455 CG2 THR A 97 -24.356 -13.718 9.488 1.00 0.00 C ATOM 0 H THR A 97 -22.942 -12.904 6.942 1.00 0.00 H new ATOM 0 HA THR A 97 -25.539 -14.061 7.185 1.00 0.00 H new ATOM 0 HB THR A 97 -25.775 -12.224 8.935 1.00 0.00 H new ATOM 0 HG1 THR A 97 -24.111 -10.848 7.934 1.00 0.00 H new ATOM 0 HG21 THR A 97 -24.226 -13.333 10.499 1.00 0.00 H new ATOM 0 HG22 THR A 97 -25.103 -14.512 9.495 1.00 0.00 H new ATOM 0 HG23 THR A 97 -23.407 -14.115 9.127 1.00 0.00 H new ATOM 1463 N CYS A 98 -26.360 -12.589 5.211 1.00 0.00 N ATOM 1464 CA CYS A 98 -27.213 -11.786 4.354 1.00 0.00 C ATOM 1465 C CYS A 98 -28.564 -12.461 4.163 1.00 0.00 C ATOM 1466 O CYS A 98 -28.747 -13.271 3.251 1.00 0.00 O ATOM 1467 CB CYS A 98 -26.543 -11.549 2.996 1.00 0.00 C ATOM 1468 SG CYS A 98 -24.987 -10.604 3.093 1.00 0.00 S ATOM 0 H CYS A 98 -26.205 -13.539 4.873 1.00 0.00 H new ATOM 0 HA CYS A 98 -27.370 -10.821 4.836 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -26.342 -12.513 2.528 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -27.239 -11.018 2.347 1.00 0.00 H new