USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 428 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 26 GLN : amide:sc= -1.08 K(o=-7.2,f=-8.9!) USER MOD Set 1.2: A 55 GLN : amide:sc= -6.11! C(o=-7.2!,f=-9.6!) USER MOD Set 2.1: A 40 GLN : amide:sc= -0.198 K(o=-0.19,f=-1.5) USER MOD Set 2.2: A 43 ASN : amide:sc= 0.00764 K(o=-0.19,f=-1.5!) USER MOD Set 3.1: A 21 ASN : amide:sc= -3.46 K(o=-6.2,f=-2.1) USER MOD Set 3.2: A 52 ASN : amide:sc= -2.76 K(o=-6.2,f=-9.4!) USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.0198 (180deg=-0.305) USER MOD Single : A 6 ASN : amide:sc= -0.251 K(o=-0.25,f=-2.2) USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -1.61 (180deg=-2.55!) USER MOD Single : A 17 MET CE :methyl 169:sc= -10.5! (180deg=-11.3!) USER MOD Single : A 23 ASN : amide:sc= -0.286 K(o=-0.29,f=-10!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.356 K(o=-0.36,f=-7.4!) USER MOD Single : A 33 SER OG : rot 64:sc= 0.786 USER MOD Single : A 39 SER OG : rot -40:sc= 1.22 USER MOD Single : A 41 SER OG : rot -59:sc= -0.794 USER MOD Single : A 49 LYS NZ :NH3+ -159:sc= -2.35! (180deg=-2.85!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 45 N LYS A 4 -0.785 -13.151 9.140 1.00 0.00 N ATOM 46 CA LYS A 4 0.454 -12.677 8.518 1.00 0.00 C ATOM 47 C LYS A 4 0.238 -11.323 7.854 1.00 0.00 C ATOM 48 O LYS A 4 1.123 -10.803 7.167 1.00 0.00 O ATOM 49 CB LYS A 4 0.948 -13.687 7.475 1.00 0.00 C ATOM 50 CG LYS A 4 1.186 -15.048 8.142 1.00 0.00 C ATOM 51 CD LYS A 4 1.798 -16.024 7.129 1.00 0.00 C ATOM 52 CE LYS A 4 1.902 -17.423 7.749 1.00 0.00 C ATOM 53 NZ LYS A 4 2.811 -17.378 8.932 1.00 0.00 N ATOM 0 HA LYS A 4 1.206 -12.572 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.214 -13.787 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.871 -13.330 7.018 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.852 -14.932 8.997 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.245 -15.446 8.522 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.184 -16.060 6.229 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.786 -15.676 6.827 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.914 -17.773 8.049 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.281 -18.131 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.071 -18.347 9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.670 -16.845 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.326 -16.911 9.725 1.00 0.00 H new ATOM 67 N PHE A 5 -0.952 -10.773 8.056 1.00 0.00 N ATOM 68 CA PHE A 5 -1.321 -9.494 7.474 1.00 0.00 C ATOM 69 C PHE A 5 -0.325 -8.402 7.806 1.00 0.00 C ATOM 70 O PHE A 5 0.182 -7.734 6.919 1.00 0.00 O ATOM 71 CB PHE A 5 -2.643 -9.027 8.071 1.00 0.00 C ATOM 72 CG PHE A 5 -3.834 -9.662 7.402 1.00 0.00 C ATOM 73 CD1 PHE A 5 -3.852 -11.037 7.119 1.00 0.00 C ATOM 74 CD2 PHE A 5 -4.937 -8.861 7.080 1.00 0.00 C ATOM 75 CE1 PHE A 5 -4.980 -11.600 6.506 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.057 -9.423 6.472 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.081 -10.788 6.184 1.00 0.00 C ATOM 0 H PHE A 5 -1.683 -11.200 8.625 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.368 -9.651 6.396 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.660 -9.261 9.135 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.715 -7.943 7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.004 -11.656 7.372 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.919 -7.805 7.304 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.003 -12.656 6.282 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.906 -8.803 6.224 1.00 0.00 H new ATOM 0 HZ PHE A 5 -6.950 -11.223 5.712 1.00 0.00 H new ATOM 87 N ASN A 6 -0.097 -8.196 9.099 1.00 0.00 N ATOM 88 CA ASN A 6 0.780 -7.125 9.544 1.00 0.00 C ATOM 89 C ASN A 6 2.148 -7.202 8.899 1.00 0.00 C ATOM 90 O ASN A 6 2.635 -6.204 8.394 1.00 0.00 O ATOM 91 CB ASN A 6 0.953 -7.197 11.056 1.00 0.00 C ATOM 92 CG ASN A 6 -0.404 -7.113 11.758 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.231 -6.269 11.419 1.00 0.00 O ATOM 94 ND2 ASN A 6 -0.681 -7.950 12.719 1.00 0.00 N ATOM 0 H ASN A 6 -0.505 -8.753 9.850 1.00 0.00 H new ATOM 0 HA ASN A 6 0.314 -6.184 9.251 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.451 -8.128 11.326 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.594 -6.383 11.393 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -1.585 -7.905 13.190 1.00 0.00 H new ATOM 0 HD22 ASN A 6 0.006 -8.650 12.999 1.00 0.00 H new ATOM 101 N LYS A 7 2.753 -8.385 8.898 1.00 0.00 N ATOM 102 CA LYS A 7 4.068 -8.552 8.302 1.00 0.00 C ATOM 103 C LYS A 7 4.037 -8.207 6.818 1.00 0.00 C ATOM 104 O LYS A 7 4.935 -7.538 6.314 1.00 0.00 O ATOM 105 CB LYS A 7 4.551 -9.988 8.513 1.00 0.00 C ATOM 106 CG LYS A 7 5.986 -10.164 7.982 1.00 0.00 C ATOM 107 CD LYS A 7 6.995 -9.505 8.941 1.00 0.00 C ATOM 108 CE LYS A 7 7.452 -8.150 8.384 1.00 0.00 C ATOM 109 NZ LYS A 7 8.314 -8.365 7.187 1.00 0.00 N ATOM 0 H LYS A 7 2.356 -9.234 9.300 1.00 0.00 H new ATOM 0 HA LYS A 7 4.764 -7.869 8.789 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.518 -10.236 9.574 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.882 -10.681 8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.214 -11.225 7.876 1.00 0.00 H new ATOM 0 HG3 LYS A 7 6.072 -9.719 6.991 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.539 -9.368 9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.856 -10.159 9.079 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.586 -7.545 8.117 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.003 -7.599 9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.251 -7.537 6.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.301 -8.496 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.993 -9.212 6.675 1.00 0.00 H new ATOM 123 N GLU A 8 2.984 -8.645 6.138 1.00 0.00 N ATOM 124 CA GLU A 8 2.827 -8.364 4.718 1.00 0.00 C ATOM 125 C GLU A 8 2.511 -6.883 4.521 1.00 0.00 C ATOM 126 O GLU A 8 2.952 -6.257 3.556 1.00 0.00 O ATOM 127 CB GLU A 8 1.700 -9.253 4.180 1.00 0.00 C ATOM 128 CG GLU A 8 1.567 -9.096 2.663 1.00 0.00 C ATOM 129 CD GLU A 8 1.166 -10.424 2.007 1.00 0.00 C ATOM 130 OE1 GLU A 8 0.327 -11.120 2.561 1.00 0.00 O ATOM 131 OE2 GLU A 8 1.694 -10.718 0.947 1.00 0.00 O ATOM 0 H GLU A 8 2.228 -9.195 6.547 1.00 0.00 H new ATOM 0 HA GLU A 8 3.746 -8.581 4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.902 -10.295 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.759 -8.988 4.662 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.821 -8.334 2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.513 -8.750 2.245 1.00 0.00 H new ATOM 138 N ARG A 9 1.751 -6.346 5.469 1.00 0.00 N ATOM 139 CA ARG A 9 1.350 -4.957 5.472 1.00 0.00 C ATOM 140 C ARG A 9 2.503 -4.030 5.824 1.00 0.00 C ATOM 141 O ARG A 9 2.542 -2.928 5.330 1.00 0.00 O ATOM 142 CB ARG A 9 0.176 -4.740 6.434 1.00 0.00 C ATOM 143 CG ARG A 9 -1.100 -5.323 5.808 1.00 0.00 C ATOM 144 CD ARG A 9 -2.306 -5.087 6.719 1.00 0.00 C ATOM 145 NE ARG A 9 -2.058 -5.642 8.046 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.802 -5.296 9.089 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.525 -4.212 9.754 1.00 0.00 N ATOM 148 NH2 ARG A 9 -3.807 -6.042 9.448 1.00 0.00 N ATOM 0 H ARG A 9 1.395 -6.876 6.264 1.00 0.00 H new ATOM 0 HA ARG A 9 1.031 -4.709 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.380 -5.221 7.391 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.045 -3.677 6.634 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.277 -4.863 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.971 -6.392 5.636 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.508 -4.019 6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -3.193 -5.548 6.285 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.297 -6.309 8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.736 -3.629 9.473 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -3.096 -3.945 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.022 -6.892 8.928 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -4.379 -5.776 10.250 1.00 0.00 H new ATOM 162 N VAL A 10 3.430 -4.469 6.687 1.00 0.00 N ATOM 163 CA VAL A 10 4.564 -3.613 7.076 1.00 0.00 C ATOM 164 C VAL A 10 5.384 -3.327 5.852 1.00 0.00 C ATOM 165 O VAL A 10 5.765 -2.193 5.554 1.00 0.00 O ATOM 166 CB VAL A 10 5.530 -4.287 8.068 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.582 -3.254 8.523 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.798 -4.855 9.284 1.00 0.00 C ATOM 0 H VAL A 10 3.421 -5.391 7.122 1.00 0.00 H new ATOM 0 HA VAL A 10 4.132 -2.727 7.542 1.00 0.00 H new ATOM 0 HB VAL A 10 6.012 -5.123 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.271 -3.722 9.226 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.137 -2.894 7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.082 -2.415 9.008 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.518 -5.321 9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.281 -4.050 9.806 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.072 -5.600 8.957 1.00 0.00 H new ATOM 178 N ILE A 11 5.663 -4.406 5.168 1.00 0.00 N ATOM 179 CA ILE A 11 6.444 -4.368 3.976 1.00 0.00 C ATOM 180 C ILE A 11 5.751 -3.496 2.952 1.00 0.00 C ATOM 181 O ILE A 11 6.358 -2.621 2.342 1.00 0.00 O ATOM 182 CB ILE A 11 6.555 -5.796 3.449 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.255 -6.682 4.497 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.333 -5.811 2.134 1.00 0.00 C ATOM 185 CD1 ILE A 11 7.078 -8.156 4.113 1.00 0.00 C ATOM 0 H ILE A 11 5.348 -5.340 5.431 1.00 0.00 H new ATOM 0 HA ILE A 11 7.435 -3.958 4.173 1.00 0.00 H new ATOM 0 HB ILE A 11 5.556 -6.190 3.264 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.315 -6.433 4.551 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.834 -6.498 5.485 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.407 -6.835 1.766 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.814 -5.197 1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.334 -5.412 2.299 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.572 -8.786 4.852 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.016 -8.399 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.520 -8.332 3.132 1.00 0.00 H new ATOM 197 N ALA A 12 4.470 -3.771 2.780 1.00 0.00 N ATOM 198 CA ALA A 12 3.648 -3.065 1.823 1.00 0.00 C ATOM 199 C ALA A 12 3.358 -1.631 2.226 1.00 0.00 C ATOM 200 O ALA A 12 3.566 -0.732 1.432 1.00 0.00 O ATOM 201 CB ALA A 12 2.345 -3.816 1.721 1.00 0.00 C ATOM 0 H ALA A 12 3.973 -4.492 3.303 1.00 0.00 H new ATOM 0 HA ALA A 12 4.185 -3.019 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.692 -3.316 1.006 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.538 -4.835 1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.862 -3.841 2.698 1.00 0.00 H new ATOM 207 N ILE A 13 2.917 -1.408 3.462 1.00 0.00 N ATOM 208 CA ILE A 13 2.627 -0.061 3.916 1.00 0.00 C ATOM 209 C ILE A 13 3.888 0.763 3.805 1.00 0.00 C ATOM 210 O ILE A 13 3.855 1.921 3.422 1.00 0.00 O ATOM 211 CB ILE A 13 2.124 -0.073 5.372 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.561 1.320 5.716 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.274 -0.447 6.330 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.948 1.730 7.135 1.00 0.00 C ATOM 0 H ILE A 13 2.756 -2.138 4.156 1.00 0.00 H new ATOM 0 HA ILE A 13 1.842 0.372 3.297 1.00 0.00 H new ATOM 0 HB ILE A 13 1.337 -0.818 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.939 2.055 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.475 1.312 5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.906 -0.452 7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.652 -1.437 6.075 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.078 0.284 6.237 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.539 2.716 7.353 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.548 1.006 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.034 1.761 7.221 1.00 0.00 H new ATOM 226 N GLY A 14 5.002 0.120 4.107 1.00 0.00 N ATOM 227 CA GLY A 14 6.282 0.756 4.019 1.00 0.00 C ATOM 228 C GLY A 14 6.540 1.135 2.566 1.00 0.00 C ATOM 229 O GLY A 14 7.084 2.203 2.281 1.00 0.00 O ATOM 0 H GLY A 14 5.034 -0.851 4.417 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.307 1.644 4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.063 0.086 4.379 1.00 0.00 H new ATOM 233 N GLU A 15 6.111 0.254 1.641 1.00 0.00 N ATOM 234 CA GLU A 15 6.273 0.514 0.218 1.00 0.00 C ATOM 235 C GLU A 15 5.320 1.611 -0.255 1.00 0.00 C ATOM 236 O GLU A 15 5.694 2.492 -1.027 1.00 0.00 O ATOM 237 CB GLU A 15 5.944 -0.749 -0.578 1.00 0.00 C ATOM 238 CG GLU A 15 6.935 -1.877 -0.255 1.00 0.00 C ATOM 239 CD GLU A 15 7.796 -2.197 -1.479 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.560 -1.334 -1.886 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.678 -3.296 -1.995 1.00 0.00 O ATOM 0 H GLU A 15 5.656 -0.632 1.862 1.00 0.00 H new ATOM 0 HA GLU A 15 7.305 0.826 0.058 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.930 -1.074 -0.348 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.974 -0.529 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.572 -1.582 0.579 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.392 -2.768 0.059 1.00 0.00 H new ATOM 248 N ILE A 16 4.073 1.503 0.197 1.00 0.00 N ATOM 249 CA ILE A 16 3.010 2.426 -0.179 1.00 0.00 C ATOM 250 C ILE A 16 3.259 3.819 0.406 1.00 0.00 C ATOM 251 O ILE A 16 3.080 4.836 -0.262 1.00 0.00 O ATOM 252 CB ILE A 16 1.664 1.885 0.345 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.574 0.353 0.065 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.495 2.672 -0.258 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.401 -0.090 -0.810 1.00 0.00 C ATOM 0 H ILE A 16 3.772 0.768 0.837 1.00 0.00 H new ATOM 0 HA ILE A 16 2.988 2.509 -1.266 1.00 0.00 H new ATOM 0 HB ILE A 16 1.602 2.024 1.424 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.501 0.034 -0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.510 -0.170 1.019 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.446 2.276 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.584 3.723 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.515 2.578 -1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.433 -1.172 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.537 0.189 -0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.469 0.396 -1.783 1.00 0.00 H new ATOM 267 N MET A 17 3.657 3.837 1.672 1.00 0.00 N ATOM 268 CA MET A 17 3.927 5.078 2.393 1.00 0.00 C ATOM 269 C MET A 17 5.168 5.791 1.838 1.00 0.00 C ATOM 270 O MET A 17 5.300 7.009 1.974 1.00 0.00 O ATOM 271 CB MET A 17 4.104 4.769 3.888 1.00 0.00 C ATOM 272 CG MET A 17 2.758 4.326 4.489 1.00 0.00 C ATOM 273 SD MET A 17 1.599 5.712 4.580 1.00 0.00 S ATOM 274 CE MET A 17 0.075 4.721 4.544 1.00 0.00 C ATOM 0 H MET A 17 3.802 2.994 2.228 1.00 0.00 H new ATOM 0 HA MET A 17 3.080 5.750 2.258 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.849 3.984 4.021 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.474 5.651 4.410 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.330 3.529 3.882 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.919 3.916 5.486 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.777 5.356 4.786 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.060 4.296 3.549 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.147 3.916 5.275 1.00 0.00 H new ATOM 284 N ARG A 18 6.066 5.026 1.204 1.00 0.00 N ATOM 285 CA ARG A 18 7.288 5.582 0.621 1.00 0.00 C ATOM 286 C ARG A 18 6.942 6.525 -0.526 1.00 0.00 C ATOM 287 O ARG A 18 7.636 7.513 -0.776 1.00 0.00 O ATOM 288 CB ARG A 18 8.160 4.432 0.099 1.00 0.00 C ATOM 289 CG ARG A 18 9.468 4.969 -0.495 1.00 0.00 C ATOM 290 CD ARG A 18 10.243 3.814 -1.129 1.00 0.00 C ATOM 291 NE ARG A 18 11.543 4.277 -1.603 1.00 0.00 N ATOM 292 CZ ARG A 18 12.663 3.640 -1.280 1.00 0.00 C ATOM 293 NH1 ARG A 18 13.101 2.670 -2.031 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.322 3.985 -0.211 1.00 0.00 N ATOM 0 H ARG A 18 5.966 4.018 1.083 1.00 0.00 H new ATOM 0 HA ARG A 18 7.830 6.143 1.383 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.381 3.739 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.614 3.870 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.255 5.734 -1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.068 5.442 0.283 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.377 3.014 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.673 3.397 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 18 11.593 5.107 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.584 2.399 -2.868 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.961 2.181 -1.783 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.978 4.744 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.182 3.496 0.038 1.00 0.00 H new ATOM 308 N LEU A 19 5.874 6.169 -1.225 1.00 0.00 N ATOM 309 CA LEU A 19 5.391 6.911 -2.381 1.00 0.00 C ATOM 310 C LEU A 19 5.258 8.413 -2.093 1.00 0.00 C ATOM 311 O LEU A 19 4.387 8.831 -1.328 1.00 0.00 O ATOM 312 CB LEU A 19 4.055 6.303 -2.800 1.00 0.00 C ATOM 313 CG LEU A 19 4.241 4.781 -2.942 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.930 4.096 -3.302 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.294 4.501 -4.014 1.00 0.00 C ATOM 0 H LEU A 19 5.312 5.347 -1.003 1.00 0.00 H new ATOM 0 HA LEU A 19 6.114 6.830 -3.192 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.288 6.524 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.720 6.735 -3.743 1.00 0.00 H new ATOM 0 HG LEU A 19 4.573 4.379 -1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 19 3.094 3.022 -3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.194 4.284 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.562 4.490 -4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.430 3.425 -4.118 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.965 4.919 -4.965 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.239 4.959 -3.724 1.00 0.00 H new ATOM 327 N PRO A 20 6.130 9.221 -2.677 1.00 0.00 N ATOM 328 CA PRO A 20 6.142 10.701 -2.466 1.00 0.00 C ATOM 329 C PRO A 20 5.040 11.450 -3.221 1.00 0.00 C ATOM 330 O PRO A 20 4.847 12.645 -2.983 1.00 0.00 O ATOM 331 CB PRO A 20 7.509 11.162 -3.005 1.00 0.00 C ATOM 332 CG PRO A 20 8.214 9.952 -3.533 1.00 0.00 C ATOM 333 CD PRO A 20 7.204 8.813 -3.598 1.00 0.00 C ATOM 0 HA PRO A 20 5.971 10.917 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.380 11.905 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.094 11.633 -2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.627 10.152 -4.521 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.050 9.685 -2.886 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.827 8.674 -4.611 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.652 7.867 -3.292 1.00 0.00 H new ATOM 341 N ASN A 21 4.351 10.783 -4.154 1.00 0.00 N ATOM 342 CA ASN A 21 3.322 11.481 -4.938 1.00 0.00 C ATOM 343 C ASN A 21 1.948 11.355 -4.302 1.00 0.00 C ATOM 344 O ASN A 21 1.374 12.352 -3.861 1.00 0.00 O ATOM 345 CB ASN A 21 3.304 10.963 -6.389 1.00 0.00 C ATOM 346 CG ASN A 21 4.711 11.072 -6.976 1.00 0.00 C ATOM 347 OD1 ASN A 21 5.406 12.062 -6.749 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.173 10.119 -7.723 1.00 0.00 N ATOM 0 H ASN A 21 4.478 9.797 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 21 3.578 12.540 -4.950 1.00 0.00 H new ATOM 0 HB2 ASN A 21 2.965 9.927 -6.414 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.601 11.543 -6.987 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.110 10.191 -8.120 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.600 9.297 -7.913 1.00 0.00 H new ATOM 355 N LEU A 22 1.435 10.130 -4.270 1.00 0.00 N ATOM 356 CA LEU A 22 0.111 9.835 -3.708 1.00 0.00 C ATOM 357 C LEU A 22 -0.254 10.718 -2.531 1.00 0.00 C ATOM 358 O LEU A 22 0.592 11.052 -1.696 1.00 0.00 O ATOM 359 CB LEU A 22 0.083 8.396 -3.219 1.00 0.00 C ATOM 360 CG LEU A 22 0.271 7.458 -4.398 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.797 6.131 -3.888 1.00 0.00 C ATOM 362 CD2 LEU A 22 -1.066 7.250 -5.094 1.00 0.00 C ATOM 0 H LEU A 22 1.921 9.309 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.607 10.017 -4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.871 8.235 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.865 8.188 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 22 0.980 7.885 -5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.936 5.448 -4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.751 6.287 -3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.082 5.702 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.934 6.577 -5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.778 6.815 -4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.445 8.209 -5.448 1.00 0.00 H new ATOM 374 N ASN A 23 -1.542 11.023 -2.434 1.00 0.00 N ATOM 375 CA ASN A 23 -2.041 11.798 -1.317 1.00 0.00 C ATOM 376 C ASN A 23 -2.252 10.827 -0.182 1.00 0.00 C ATOM 377 O ASN A 23 -2.358 9.621 -0.417 1.00 0.00 O ATOM 378 CB ASN A 23 -3.346 12.514 -1.690 1.00 0.00 C ATOM 379 CG ASN A 23 -4.261 11.576 -2.472 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.850 10.667 -1.900 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.405 11.739 -3.759 1.00 0.00 N ATOM 0 H ASN A 23 -2.251 10.746 -3.112 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.335 12.577 -1.030 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.851 12.857 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.125 13.399 -2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.008 11.109 -4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.915 12.496 -4.235 1.00 0.00 H new ATOM 388 N SER A 24 -2.289 11.325 1.040 1.00 0.00 N ATOM 389 CA SER A 24 -2.453 10.441 2.179 1.00 0.00 C ATOM 390 C SER A 24 -3.631 9.509 1.987 1.00 0.00 C ATOM 391 O SER A 24 -3.577 8.370 2.393 1.00 0.00 O ATOM 392 CB SER A 24 -2.652 11.228 3.458 1.00 0.00 C ATOM 393 OG SER A 24 -3.765 12.103 3.315 1.00 0.00 O ATOM 0 H SER A 24 -2.210 12.316 1.267 1.00 0.00 H new ATOM 0 HA SER A 24 -1.539 9.852 2.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.817 10.547 4.293 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.754 11.801 3.687 1.00 0.00 H new ATOM 0 HG SER A 24 -3.892 12.609 4.145 1.00 0.00 H new ATOM 399 N LEU A 25 -4.689 9.993 1.362 1.00 0.00 N ATOM 400 CA LEU A 25 -5.864 9.167 1.145 1.00 0.00 C ATOM 401 C LEU A 25 -5.532 7.988 0.279 1.00 0.00 C ATOM 402 O LEU A 25 -5.876 6.879 0.629 1.00 0.00 O ATOM 403 CB LEU A 25 -6.955 9.963 0.459 1.00 0.00 C ATOM 404 CG LEU A 25 -7.254 11.260 1.218 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.252 12.363 0.845 1.00 0.00 C ATOM 406 CD2 LEU A 25 -8.647 11.716 0.819 1.00 0.00 C ATOM 0 H LEU A 25 -4.760 10.944 0.999 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.208 8.825 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.651 10.197 -0.561 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.861 9.361 0.392 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.179 11.076 2.290 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.488 13.272 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.242 12.037 1.096 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.313 12.564 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.892 12.640 1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.679 11.890 -0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.372 10.946 1.084 1.00 0.00 H new ATOM 418 N GLN A 26 -4.848 8.229 -0.835 1.00 0.00 N ATOM 419 CA GLN A 26 -4.464 7.147 -1.710 1.00 0.00 C ATOM 420 C GLN A 26 -3.498 6.252 -0.993 1.00 0.00 C ATOM 421 O GLN A 26 -3.622 5.036 -1.001 1.00 0.00 O ATOM 422 CB GLN A 26 -3.788 7.678 -2.947 1.00 0.00 C ATOM 423 CG GLN A 26 -4.832 8.282 -3.885 1.00 0.00 C ATOM 424 CD GLN A 26 -5.530 7.189 -4.700 1.00 0.00 C ATOM 425 OE1 GLN A 26 -5.609 6.034 -4.275 1.00 0.00 O ATOM 426 NE2 GLN A 26 -6.037 7.486 -5.861 1.00 0.00 N ATOM 0 H GLN A 26 -4.555 9.156 -1.144 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.362 6.599 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.050 8.432 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.251 6.875 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.570 8.837 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.354 8.994 -4.558 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.974 8.440 -6.216 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.498 6.765 -6.416 1.00 0.00 H new ATOM 435 N VAL A 27 -2.557 6.899 -0.333 1.00 0.00 N ATOM 436 CA VAL A 27 -1.552 6.215 0.435 1.00 0.00 C ATOM 437 C VAL A 27 -2.252 5.331 1.452 1.00 0.00 C ATOM 438 O VAL A 27 -1.907 4.165 1.641 1.00 0.00 O ATOM 439 CB VAL A 27 -0.701 7.299 1.128 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.094 6.744 2.297 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.275 7.918 0.121 1.00 0.00 C ATOM 0 H VAL A 27 -2.473 7.915 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.910 5.586 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.391 8.052 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.677 7.544 2.753 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.590 6.327 3.036 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.766 5.962 1.942 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.873 8.683 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.932 7.142 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.285 8.370 -0.698 1.00 0.00 H new ATOM 451 N VAL A 28 -3.268 5.909 2.067 1.00 0.00 N ATOM 452 CA VAL A 28 -4.088 5.207 3.040 1.00 0.00 C ATOM 453 C VAL A 28 -5.009 4.205 2.369 1.00 0.00 C ATOM 454 O VAL A 28 -5.292 3.136 2.907 1.00 0.00 O ATOM 455 CB VAL A 28 -4.834 6.181 3.927 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.611 5.384 4.977 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.788 7.049 4.628 1.00 0.00 C ATOM 0 H VAL A 28 -3.548 6.877 1.907 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.427 4.632 3.689 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.524 6.797 3.350 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.155 6.070 5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.317 4.718 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.916 4.795 5.575 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.288 7.767 5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.130 6.416 5.223 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.200 7.584 3.882 1.00 0.00 H new ATOM 467 N ALA A 29 -5.472 4.584 1.190 1.00 0.00 N ATOM 468 CA ALA A 29 -6.366 3.763 0.396 1.00 0.00 C ATOM 469 C ALA A 29 -5.728 2.428 0.214 1.00 0.00 C ATOM 470 O ALA A 29 -6.373 1.380 0.253 1.00 0.00 O ATOM 471 CB ALA A 29 -6.510 4.394 -0.977 1.00 0.00 C ATOM 0 H ALA A 29 -5.236 5.476 0.755 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.336 3.675 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.180 3.788 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.921 5.398 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.533 4.449 -1.456 1.00 0.00 H new ATOM 477 N PHE A 30 -4.431 2.501 0.035 1.00 0.00 N ATOM 478 CA PHE A 30 -3.641 1.360 -0.129 1.00 0.00 C ATOM 479 C PHE A 30 -3.532 0.627 1.164 1.00 0.00 C ATOM 480 O PHE A 30 -3.635 -0.591 1.163 1.00 0.00 O ATOM 481 CB PHE A 30 -2.301 1.804 -0.615 1.00 0.00 C ATOM 482 CG PHE A 30 -2.385 1.949 -2.090 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.603 0.825 -2.876 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.282 3.205 -2.666 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.726 0.963 -4.242 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.404 3.350 -4.031 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.636 2.224 -4.832 1.00 0.00 C ATOM 0 H PHE A 30 -3.912 3.378 0.003 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.086 0.677 -0.853 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.020 2.750 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.535 1.077 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.676 -0.151 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.106 4.071 -2.045 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.893 0.092 -4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.321 4.328 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.745 2.332 -5.901 1.00 0.00 H new ATOM 497 N ILE A 31 -3.378 1.366 2.282 1.00 0.00 N ATOM 498 CA ILE A 31 -3.309 0.684 3.571 1.00 0.00 C ATOM 499 C ILE A 31 -4.574 -0.146 3.701 1.00 0.00 C ATOM 500 O ILE A 31 -4.566 -1.278 4.195 1.00 0.00 O ATOM 501 CB ILE A 31 -3.308 1.643 4.772 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.151 2.630 4.712 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.184 0.829 6.072 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.335 3.653 5.845 1.00 0.00 C ATOM 0 H ILE A 31 -3.303 2.383 2.313 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.382 0.110 3.588 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.242 2.204 4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.200 2.109 4.821 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.130 3.133 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.183 1.506 6.926 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.027 0.143 6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.254 0.261 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.516 4.372 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.282 4.177 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.338 3.136 6.805 1.00 0.00 H new ATOM 516 N ASN A 32 -5.665 0.466 3.241 1.00 0.00 N ATOM 517 CA ASN A 32 -6.975 -0.152 3.281 1.00 0.00 C ATOM 518 C ASN A 32 -7.066 -1.363 2.363 1.00 0.00 C ATOM 519 O ASN A 32 -7.705 -2.355 2.707 1.00 0.00 O ATOM 520 CB ASN A 32 -8.018 0.895 2.889 1.00 0.00 C ATOM 521 CG ASN A 32 -8.444 1.701 4.111 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.143 1.190 4.985 1.00 0.00 O ATOM 523 ND2 ASN A 32 -8.056 2.941 4.228 1.00 0.00 N ATOM 0 H ASN A 32 -5.658 1.401 2.833 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.160 -0.512 4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.607 1.561 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.886 0.406 2.447 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.332 3.487 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.476 3.365 3.503 1.00 0.00 H new ATOM 530 N SER A 33 -6.432 -1.289 1.201 1.00 0.00 N ATOM 531 CA SER A 33 -6.466 -2.397 0.274 1.00 0.00 C ATOM 532 C SER A 33 -5.687 -3.587 0.838 1.00 0.00 C ATOM 533 O SER A 33 -6.058 -4.739 0.615 1.00 0.00 O ATOM 534 CB SER A 33 -5.885 -1.964 -1.060 1.00 0.00 C ATOM 535 OG SER A 33 -6.466 -0.728 -1.454 1.00 0.00 O ATOM 0 H SER A 33 -5.895 -0.481 0.886 1.00 0.00 H new ATOM 0 HA SER A 33 -7.500 -2.707 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.803 -1.860 -0.980 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.077 -2.725 -1.816 1.00 0.00 H new ATOM 0 HG SER A 33 -6.218 -0.031 -0.812 1.00 0.00 H new ATOM 541 N LEU A 34 -4.592 -3.294 1.554 1.00 0.00 N ATOM 542 CA LEU A 34 -3.751 -4.371 2.134 1.00 0.00 C ATOM 543 C LEU A 34 -4.577 -5.278 3.041 1.00 0.00 C ATOM 544 O LEU A 34 -4.482 -6.496 2.962 1.00 0.00 O ATOM 545 CB LEU A 34 -2.584 -3.846 2.998 1.00 0.00 C ATOM 546 CG LEU A 34 -1.945 -2.577 2.436 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.658 -2.257 3.203 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.602 -2.756 0.963 1.00 0.00 C ATOM 0 H LEU A 34 -4.267 -2.347 1.747 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.353 -4.904 1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.947 -3.647 4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.823 -4.622 3.081 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.659 -1.761 2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.208 -1.351 2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.891 -2.105 4.257 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.042 -3.087 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.148 -1.841 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.901 -3.583 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.511 -2.972 0.401 1.00 0.00 H new ATOM 560 N ARG A 35 -5.381 -4.674 3.907 1.00 0.00 N ATOM 561 CA ARG A 35 -6.218 -5.452 4.822 1.00 0.00 C ATOM 562 C ARG A 35 -7.349 -6.112 4.056 1.00 0.00 C ATOM 563 O ARG A 35 -7.740 -7.243 4.354 1.00 0.00 O ATOM 564 CB ARG A 35 -6.752 -4.574 5.953 1.00 0.00 C ATOM 565 CG ARG A 35 -7.574 -3.409 5.396 1.00 0.00 C ATOM 566 CD ARG A 35 -8.062 -2.517 6.543 1.00 0.00 C ATOM 567 NE ARG A 35 -8.974 -1.490 6.038 1.00 0.00 N ATOM 568 CZ ARG A 35 -10.043 -1.807 5.313 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.962 -2.588 5.808 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.170 -1.341 4.106 1.00 0.00 N ATOM 0 H ARG A 35 -5.474 -3.662 3.998 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.609 -6.233 5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.369 -5.172 6.623 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.921 -4.189 6.544 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.969 -2.825 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.426 -3.790 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.568 -3.124 7.294 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.210 -2.046 7.034 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.786 -0.509 6.247 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.862 -2.958 6.753 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.781 -2.830 5.250 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.450 -0.733 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -10.989 -1.584 3.549 1.00 0.00 H new ATOM 584 N ASP A 36 -7.832 -5.411 3.036 1.00 0.00 N ATOM 585 CA ASP A 36 -8.876 -5.932 2.180 1.00 0.00 C ATOM 586 C ASP A 36 -8.310 -7.109 1.398 1.00 0.00 C ATOM 587 O ASP A 36 -9.053 -7.955 0.892 1.00 0.00 O ATOM 588 CB ASP A 36 -9.364 -4.830 1.221 1.00 0.00 C ATOM 589 CG ASP A 36 -10.107 -3.718 1.978 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.582 -3.967 3.077 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.196 -2.627 1.438 1.00 0.00 O ATOM 0 H ASP A 36 -7.511 -4.476 2.786 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.726 -6.263 2.777 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.513 -4.405 0.690 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.024 -5.265 0.470 1.00 0.00 H new ATOM 596 N ASP A 37 -6.973 -7.144 1.315 1.00 0.00 N ATOM 597 CA ASP A 37 -6.269 -8.205 0.600 1.00 0.00 C ATOM 598 C ASP A 37 -4.753 -8.109 0.836 1.00 0.00 C ATOM 599 O ASP A 37 -4.059 -7.352 0.147 1.00 0.00 O ATOM 600 CB ASP A 37 -6.561 -8.099 -0.901 1.00 0.00 C ATOM 601 CG ASP A 37 -6.275 -9.433 -1.595 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.282 -10.059 -1.256 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.050 -9.807 -2.458 1.00 0.00 O ATOM 0 H ASP A 37 -6.361 -6.446 1.737 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.620 -9.166 0.976 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.602 -7.817 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.948 -7.313 -1.343 1.00 0.00 H new ATOM 608 N PRO A 38 -4.225 -8.847 1.791 1.00 0.00 N ATOM 609 CA PRO A 38 -2.768 -8.827 2.107 1.00 0.00 C ATOM 610 C PRO A 38 -1.935 -9.522 1.037 1.00 0.00 C ATOM 611 O PRO A 38 -0.827 -9.093 0.733 1.00 0.00 O ATOM 612 CB PRO A 38 -2.641 -9.554 3.452 1.00 0.00 C ATOM 613 CG PRO A 38 -4.020 -9.954 3.862 1.00 0.00 C ATOM 614 CD PRO A 38 -4.948 -9.777 2.663 1.00 0.00 C ATOM 0 HA PRO A 38 -2.391 -7.805 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -1.997 -10.429 3.359 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.189 -8.904 4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.030 -10.990 4.200 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.360 -9.343 4.698 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.140 -10.726 2.163 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.915 -9.374 2.963 1.00 0.00 H new ATOM 622 N SER A 39 -2.485 -10.589 0.452 1.00 0.00 N ATOM 623 CA SER A 39 -1.775 -11.319 -0.593 1.00 0.00 C ATOM 624 C SER A 39 -1.550 -10.393 -1.774 1.00 0.00 C ATOM 625 O SER A 39 -0.595 -10.553 -2.537 1.00 0.00 O ATOM 626 CB SER A 39 -2.569 -12.558 -1.027 1.00 0.00 C ATOM 627 OG SER A 39 -3.699 -12.167 -1.796 1.00 0.00 O ATOM 0 H SER A 39 -3.407 -10.960 0.682 1.00 0.00 H new ATOM 0 HA SER A 39 -0.814 -11.659 -0.206 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.932 -13.221 -1.612 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.892 -13.119 -0.150 1.00 0.00 H new ATOM 0 HG SER A 39 -4.099 -11.363 -1.404 1.00 0.00 H new ATOM 633 N GLN A 40 -2.438 -9.407 -1.892 1.00 0.00 N ATOM 634 CA GLN A 40 -2.349 -8.423 -2.950 1.00 0.00 C ATOM 635 C GLN A 40 -1.716 -7.137 -2.434 1.00 0.00 C ATOM 636 O GLN A 40 -1.713 -6.131 -3.132 1.00 0.00 O ATOM 637 CB GLN A 40 -3.740 -8.136 -3.529 1.00 0.00 C ATOM 638 CG GLN A 40 -4.297 -9.404 -4.189 1.00 0.00 C ATOM 639 CD GLN A 40 -3.462 -9.780 -5.411 1.00 0.00 C ATOM 640 OE1 GLN A 40 -3.401 -9.025 -6.381 1.00 0.00 O ATOM 641 NE2 GLN A 40 -2.805 -10.907 -5.417 1.00 0.00 N ATOM 0 H GLN A 40 -3.228 -9.275 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.717 -8.825 -3.742 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.411 -7.801 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.681 -7.330 -4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.295 -10.225 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.334 -9.242 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.857 -11.532 -4.612 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.240 -11.163 -6.226 1.00 0.00 H new ATOM 650 N SER A 41 -1.149 -7.179 -1.219 1.00 0.00 N ATOM 651 CA SER A 41 -0.497 -5.996 -0.658 1.00 0.00 C ATOM 652 C SER A 41 0.561 -5.538 -1.649 1.00 0.00 C ATOM 653 O SER A 41 0.741 -4.350 -1.883 1.00 0.00 O ATOM 654 CB SER A 41 0.152 -6.320 0.704 1.00 0.00 C ATOM 655 OG SER A 41 1.288 -7.151 0.496 1.00 0.00 O ATOM 0 H SER A 41 -1.130 -8.004 -0.619 1.00 0.00 H new ATOM 0 HA SER A 41 -1.233 -5.209 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.447 -5.400 1.208 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.566 -6.822 1.352 1.00 0.00 H new ATOM 0 HG SER A 41 1.011 -7.976 0.046 1.00 0.00 H new ATOM 661 N ALA A 42 1.216 -6.526 -2.251 1.00 0.00 N ATOM 662 CA ALA A 42 2.233 -6.302 -3.254 1.00 0.00 C ATOM 663 C ALA A 42 1.640 -5.681 -4.515 1.00 0.00 C ATOM 664 O ALA A 42 2.255 -4.822 -5.133 1.00 0.00 O ATOM 665 CB ALA A 42 2.879 -7.633 -3.618 1.00 0.00 C ATOM 0 H ALA A 42 1.049 -7.512 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 42 2.972 -5.614 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.647 -7.470 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.332 -8.073 -2.729 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.121 -8.310 -4.011 1.00 0.00 H new ATOM 671 N ASN A 43 0.436 -6.124 -4.879 1.00 0.00 N ATOM 672 CA ASN A 43 -0.259 -5.619 -6.053 1.00 0.00 C ATOM 673 C ASN A 43 -0.724 -4.211 -5.802 1.00 0.00 C ATOM 674 O ASN A 43 -0.776 -3.375 -6.693 1.00 0.00 O ATOM 675 CB ASN A 43 -1.481 -6.477 -6.283 1.00 0.00 C ATOM 676 CG ASN A 43 -2.105 -6.208 -7.650 1.00 0.00 C ATOM 677 OD1 ASN A 43 -1.433 -5.753 -8.577 1.00 0.00 O ATOM 678 ND2 ASN A 43 -3.366 -6.467 -7.824 1.00 0.00 N ATOM 0 H ASN A 43 -0.079 -6.840 -4.367 1.00 0.00 H new ATOM 0 HA ASN A 43 0.411 -5.641 -6.913 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.207 -7.529 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.216 -6.282 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.802 -6.294 -8.730 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.920 -6.844 -7.055 1.00 0.00 H new ATOM 685 N LEU A 44 -1.098 -4.001 -4.564 1.00 0.00 N ATOM 686 CA LEU A 44 -1.603 -2.730 -4.107 1.00 0.00 C ATOM 687 C LEU A 44 -0.494 -1.735 -4.031 1.00 0.00 C ATOM 688 O LEU A 44 -0.593 -0.630 -4.527 1.00 0.00 O ATOM 689 CB LEU A 44 -2.247 -2.962 -2.760 1.00 0.00 C ATOM 690 CG LEU A 44 -3.481 -3.807 -3.021 1.00 0.00 C ATOM 691 CD1 LEU A 44 -4.002 -4.443 -1.733 1.00 0.00 C ATOM 692 CD2 LEU A 44 -4.520 -2.906 -3.662 1.00 0.00 C ATOM 0 H LEU A 44 -1.060 -4.716 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.341 -2.323 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.562 -3.472 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.515 -2.017 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.241 -4.634 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.886 -5.041 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.230 -5.081 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.263 -3.660 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.424 -3.480 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.756 -2.084 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.127 -2.505 -4.596 1.00 0.00 H new ATOM 704 N LEU A 45 0.585 -2.172 -3.463 1.00 0.00 N ATOM 705 CA LEU A 45 1.761 -1.354 -3.380 1.00 0.00 C ATOM 706 C LEU A 45 2.287 -1.175 -4.795 1.00 0.00 C ATOM 707 O LEU A 45 2.786 -0.116 -5.161 1.00 0.00 O ATOM 708 CB LEU A 45 2.720 -2.012 -2.394 1.00 0.00 C ATOM 709 CG LEU A 45 3.842 -2.725 -3.095 1.00 0.00 C ATOM 710 CD1 LEU A 45 4.835 -1.666 -3.551 1.00 0.00 C ATOM 711 CD2 LEU A 45 4.470 -3.702 -2.099 1.00 0.00 C ATOM 0 H LEU A 45 0.680 -3.098 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 45 1.585 -0.351 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.132 -1.254 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.172 -2.720 -1.772 1.00 0.00 H new ATOM 0 HG LEU A 45 3.506 -3.290 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.667 -2.145 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.340 -0.971 -4.230 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.210 -1.122 -2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.290 -4.236 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.851 -3.151 -1.240 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.717 -4.417 -1.767 1.00 0.00 H new ATOM 723 N ALA A 46 2.088 -2.215 -5.596 1.00 0.00 N ATOM 724 CA ALA A 46 2.458 -2.178 -7.009 1.00 0.00 C ATOM 725 C ALA A 46 1.569 -1.164 -7.700 1.00 0.00 C ATOM 726 O ALA A 46 2.024 -0.353 -8.507 1.00 0.00 O ATOM 727 CB ALA A 46 2.226 -3.534 -7.659 1.00 0.00 C ATOM 0 H ALA A 46 1.672 -3.096 -5.293 1.00 0.00 H new ATOM 0 HA ALA A 46 3.512 -1.915 -7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.507 -3.486 -8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.832 -4.287 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.172 -3.801 -7.577 1.00 0.00 H new ATOM 733 N GLU A 47 0.288 -1.212 -7.328 1.00 0.00 N ATOM 734 CA GLU A 47 -0.706 -0.304 -7.844 1.00 0.00 C ATOM 735 C GLU A 47 -0.343 1.088 -7.392 1.00 0.00 C ATOM 736 O GLU A 47 -0.376 2.037 -8.152 1.00 0.00 O ATOM 737 CB GLU A 47 -2.048 -0.692 -7.233 1.00 0.00 C ATOM 738 CG GLU A 47 -2.826 -1.626 -8.159 1.00 0.00 C ATOM 739 CD GLU A 47 -3.891 -2.380 -7.363 1.00 0.00 C ATOM 740 OE1 GLU A 47 -4.938 -1.804 -7.114 1.00 0.00 O ATOM 741 OE2 GLU A 47 -3.641 -3.523 -7.009 1.00 0.00 O ATOM 0 H GLU A 47 -0.078 -1.888 -6.658 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.757 -0.344 -8.932 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.886 -1.180 -6.272 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.636 0.205 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.295 -1.052 -8.958 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.145 -2.333 -8.632 1.00 0.00 H new ATOM 748 N ALA A 48 0.029 1.159 -6.129 1.00 0.00 N ATOM 749 CA ALA A 48 0.429 2.398 -5.503 1.00 0.00 C ATOM 750 C ALA A 48 1.619 2.980 -6.227 1.00 0.00 C ATOM 751 O ALA A 48 1.622 4.154 -6.574 1.00 0.00 O ATOM 752 CB ALA A 48 0.779 2.135 -4.049 1.00 0.00 C ATOM 0 H ALA A 48 0.061 0.352 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.393 3.113 -5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.081 3.068 -3.573 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.091 1.730 -3.533 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.599 1.418 -3.996 1.00 0.00 H new ATOM 758 N LYS A 49 2.606 2.134 -6.501 1.00 0.00 N ATOM 759 CA LYS A 49 3.773 2.573 -7.250 1.00 0.00 C ATOM 760 C LYS A 49 3.306 3.037 -8.619 1.00 0.00 C ATOM 761 O LYS A 49 3.831 4.001 -9.175 1.00 0.00 O ATOM 762 CB LYS A 49 4.799 1.441 -7.383 1.00 0.00 C ATOM 763 CG LYS A 49 5.526 1.251 -6.046 1.00 0.00 C ATOM 764 CD LYS A 49 6.572 0.137 -6.167 1.00 0.00 C ATOM 765 CE LYS A 49 7.271 -0.051 -4.816 1.00 0.00 C ATOM 766 NZ LYS A 49 7.786 -1.445 -4.708 1.00 0.00 N ATOM 0 H LYS A 49 2.621 1.154 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 49 4.264 3.391 -6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.300 0.516 -7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.516 1.676 -8.169 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.009 2.183 -5.750 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.808 1.002 -5.265 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.095 -0.793 -6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.303 0.390 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.092 0.659 -4.718 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.574 0.154 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.932 -1.685 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.097 -2.103 -5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.689 -1.522 -5.217 1.00 0.00 H new ATOM 780 N LYS A 50 2.278 2.353 -9.133 1.00 0.00 N ATOM 781 CA LYS A 50 1.704 2.707 -10.415 1.00 0.00 C ATOM 782 C LYS A 50 0.981 4.043 -10.288 1.00 0.00 C ATOM 783 O LYS A 50 1.092 4.883 -11.162 1.00 0.00 O ATOM 784 CB LYS A 50 0.726 1.615 -10.879 1.00 0.00 C ATOM 785 CG LYS A 50 0.619 1.615 -12.412 1.00 0.00 C ATOM 786 CD LYS A 50 1.744 0.755 -13.017 1.00 0.00 C ATOM 787 CE LYS A 50 1.414 -0.736 -12.859 1.00 0.00 C ATOM 788 NZ LYS A 50 2.367 -1.542 -13.674 1.00 0.00 N ATOM 0 H LYS A 50 1.835 1.556 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 50 2.498 2.794 -11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.067 0.640 -10.531 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.256 1.785 -10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.352 1.226 -12.717 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.686 2.635 -12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.870 0.997 -14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.689 0.980 -12.523 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.480 -1.025 -11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.390 -0.929 -13.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.145 -2.553 -13.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.283 -1.272 -14.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.339 -1.365 -13.348 1.00 0.00 H new ATOM 802 N LEU A 51 0.254 4.222 -9.175 1.00 0.00 N ATOM 803 CA LEU A 51 -0.485 5.456 -8.914 1.00 0.00 C ATOM 804 C LEU A 51 0.454 6.594 -8.622 1.00 0.00 C ATOM 805 O LEU A 51 0.221 7.725 -9.025 1.00 0.00 O ATOM 806 CB LEU A 51 -1.406 5.291 -7.714 1.00 0.00 C ATOM 807 CG LEU A 51 -2.792 4.868 -8.168 1.00 0.00 C ATOM 808 CD1 LEU A 51 -2.723 3.445 -8.731 1.00 0.00 C ATOM 809 CD2 LEU A 51 -3.753 4.961 -6.975 1.00 0.00 C ATOM 0 H LEU A 51 0.165 3.520 -8.440 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.068 5.674 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.996 4.546 -7.032 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.467 6.229 -7.162 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.161 5.524 -8.956 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.715 3.135 -9.059 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.037 3.422 -9.578 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.367 2.764 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.752 4.660 -7.289 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.408 4.302 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.782 5.988 -6.610 1.00 0.00 H new ATOM 821 N ASN A 52 1.515 6.277 -7.906 1.00 0.00 N ATOM 822 CA ASN A 52 2.495 7.271 -7.552 1.00 0.00 C ATOM 823 C ASN A 52 3.026 7.864 -8.839 1.00 0.00 C ATOM 824 O ASN A 52 3.073 9.082 -9.020 1.00 0.00 O ATOM 825 CB ASN A 52 3.608 6.588 -6.751 1.00 0.00 C ATOM 826 CG ASN A 52 4.650 7.593 -6.281 1.00 0.00 C ATOM 827 OD1 ASN A 52 4.407 8.355 -5.348 1.00 0.00 O ATOM 828 ND2 ASN A 52 5.810 7.631 -6.875 1.00 0.00 N ATOM 0 H ASN A 52 1.716 5.338 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 52 2.071 8.066 -6.939 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.178 6.078 -5.889 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.086 5.826 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.520 8.295 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.008 6.997 -7.649 1.00 0.00 H new ATOM 835 N ASP A 53 3.372 6.964 -9.742 1.00 0.00 N ATOM 836 CA ASP A 53 3.857 7.324 -11.047 1.00 0.00 C ATOM 837 C ASP A 53 2.736 7.869 -11.947 1.00 0.00 C ATOM 838 O ASP A 53 2.953 8.788 -12.738 1.00 0.00 O ATOM 839 CB ASP A 53 4.492 6.089 -11.701 1.00 0.00 C ATOM 840 CG ASP A 53 5.680 5.568 -10.875 1.00 0.00 C ATOM 841 OD1 ASP A 53 6.239 6.329 -10.095 1.00 0.00 O ATOM 842 OD2 ASP A 53 6.014 4.406 -11.035 1.00 0.00 O ATOM 0 H ASP A 53 3.321 5.958 -9.582 1.00 0.00 H new ATOM 0 HA ASP A 53 4.596 8.117 -10.929 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.744 5.303 -11.802 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.828 6.340 -12.707 1.00 0.00 H new ATOM 847 N ALA A 54 1.558 7.240 -11.854 1.00 0.00 N ATOM 848 CA ALA A 54 0.406 7.594 -12.698 1.00 0.00 C ATOM 849 C ALA A 54 -0.262 8.906 -12.325 1.00 0.00 C ATOM 850 O ALA A 54 -0.693 9.657 -13.203 1.00 0.00 O ATOM 851 CB ALA A 54 -0.655 6.508 -12.562 1.00 0.00 C ATOM 0 H ALA A 54 1.375 6.479 -11.200 1.00 0.00 H new ATOM 0 HA ALA A 54 0.799 7.693 -13.710 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.515 6.759 -13.183 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.241 5.553 -12.884 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.969 6.435 -11.521 1.00 0.00 H new ATOM 857 N GLN A 55 -0.380 9.161 -11.033 1.00 0.00 N ATOM 858 CA GLN A 55 -1.039 10.363 -10.570 1.00 0.00 C ATOM 859 C GLN A 55 -0.084 11.522 -10.584 1.00 0.00 C ATOM 860 O GLN A 55 -0.433 12.625 -11.010 1.00 0.00 O ATOM 861 CB GLN A 55 -1.518 10.160 -9.139 1.00 0.00 C ATOM 862 CG GLN A 55 -2.589 9.073 -9.076 1.00 0.00 C ATOM 863 CD GLN A 55 -3.021 8.873 -7.629 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.848 8.013 -7.348 1.00 0.00 O ATOM 865 NE2 GLN A 55 -2.520 9.631 -6.687 1.00 0.00 N ATOM 0 H GLN A 55 -0.029 8.554 -10.292 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.880 10.571 -11.231 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.676 9.885 -8.504 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.919 11.095 -8.749 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.446 9.355 -9.687 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.200 8.140 -9.484 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.832 10.347 -6.920 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.818 9.506 -5.719 1.00 0.00 H new ATOM 874 N ALA A 56 1.112 11.249 -10.070 1.00 0.00 N ATOM 875 CA ALA A 56 2.157 12.266 -9.952 1.00 0.00 C ATOM 876 C ALA A 56 1.530 13.623 -9.567 1.00 0.00 C ATOM 877 O ALA A 56 1.783 14.639 -10.218 1.00 0.00 O ATOM 878 CB ALA A 56 2.928 12.377 -11.269 1.00 0.00 C ATOM 0 H ALA A 56 1.384 10.328 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 56 2.856 11.975 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.704 13.136 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.387 11.417 -11.504 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.243 12.657 -12.069 1.00 0.00 H new