USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 401 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 10 GLN :FLIP amide:sc= -7.4! C(o=-19!,f=-14!) USER MOD Set 1.2: A 42 SER OG : rot 150:sc= -6.42! USER MOD Single : A 7 ASN :FLIP amide:sc= -2.18! C(o=-4.5!,f=-2.2!) USER MOD Single : A 8 LYS NZ :NH3+ 149:sc= -0.779 (180deg=-1.33) USER MOD Single : A 11 GLN : amide:sc= -4.01! C(o=-4!,f=-4.2!) USER MOD Single : A 12 ASN :FLIP amide:sc= -2.79! C(o=-8.4!,f=-2.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= -3.2! C(o=-3.2!,f=-5.6!) USER MOD Single : A 22 ASN : amide:sc= -0.836 K(o=-0.84,f=-2.2!) USER MOD Single : A 24 ASN :FLIP amide:sc= -0.686 F(o=-7!,f=-0.69) USER MOD Single : A 27 GLN : amide:sc= -0.625 K(o=-0.62,f=-1.6) USER MOD Single : A 29 ASN : amide:sc= -0.899 K(o=-0.9,f=-3.3!) USER MOD Single : A 33 GLN : amide:sc= -4.5! C(o=-4.5!,f=-10!) USER MOD Single : A 34 SER OG : rot 94:sc= 0.684 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0278 USER MOD Single : A 41 GLN : amide:sc= -0.0679 X(o=-0.068,f=-0.068) USER MOD Single : A 44 ASN : amide:sc= -0.901! C(o=-0.9!,f=-2.3!) USER MOD Single : A 50 LYS NZ :NH3+ -129:sc= -0.895 (180deg=-2.95!) USER MOD Single : A 51 LYS NZ :NH3+ 157:sc= -0.035 (180deg=-0.275) USER MOD Single : A 53 ASN :FLIP amide:sc= -6.88! C(o=-8.6!,f=-6.9!) USER MOD Single : A 56 GLN :FLIP amide:sc= -0.16 F(o=-2.1!,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 75 N PHE A 6 13.533 3.736 1.455 1.00 1.00 N ATOM 76 CA PHE A 6 12.078 3.917 1.259 1.00 1.00 C ATOM 77 C PHE A 6 11.583 5.106 2.074 1.00 1.00 C ATOM 78 O PHE A 6 11.749 5.147 3.274 1.00 1.00 O ATOM 79 CB PHE A 6 11.344 2.656 1.755 1.00 1.00 C ATOM 80 CG PHE A 6 11.045 1.662 0.608 1.00 1.00 C ATOM 81 CD1 PHE A 6 10.464 2.076 -0.594 1.00 1.00 C ATOM 82 CD2 PHE A 6 11.271 0.307 0.801 1.00 1.00 C ATOM 83 CE1 PHE A 6 10.125 1.152 -1.559 1.00 1.00 C ATOM 84 CE2 PHE A 6 10.922 -0.610 -0.170 1.00 1.00 C ATOM 85 CZ PHE A 6 10.346 -0.191 -1.346 1.00 1.00 C ATOM 0 HA PHE A 6 11.883 4.089 0.200 1.00 1.00 H new ATOM 0 HB2 PHE A 6 11.950 2.160 2.514 1.00 1.00 H new ATOM 0 HB3 PHE A 6 10.409 2.947 2.234 1.00 1.00 H new ATOM 0 HD1 PHE A 6 10.280 3.126 -0.768 1.00 1.00 H new ATOM 0 HD2 PHE A 6 11.724 -0.034 1.720 1.00 1.00 H new ATOM 0 HE1 PHE A 6 9.684 1.483 -2.487 1.00 1.00 H new ATOM 0 HE2 PHE A 6 11.102 -1.662 -0.005 1.00 1.00 H new ATOM 0 HZ PHE A 6 10.068 -0.912 -2.100 1.00 1.00 H new ATOM 95 N ASN A 7 10.991 6.060 1.406 1.00 1.00 N ATOM 96 CA ASN A 7 10.485 7.257 2.132 1.00 1.00 C ATOM 97 C ASN A 7 9.390 7.965 1.355 1.00 1.00 C ATOM 98 O ASN A 7 8.421 8.413 1.928 1.00 1.00 O ATOM 99 CB ASN A 7 11.654 8.226 2.325 1.00 1.00 C ATOM 100 CG ASN A 7 12.777 7.837 1.370 1.00 1.00 C ATOM 101 OD1 ASN A 7 13.528 6.817 1.678 1.00 1.00 O flip ATOM 102 ND2 ASN A 7 12.981 8.454 0.342 1.00 1.00 N flip ATOM 0 H ASN A 7 10.838 6.062 0.398 1.00 1.00 H new ATOM 0 HA ASN A 7 10.068 6.934 3.086 1.00 1.00 H new ATOM 0 HB2 ASN A 7 11.332 9.249 2.132 1.00 1.00 H new ATOM 0 HB3 ASN A 7 12.006 8.192 3.356 1.00 1.00 H new ATOM 0 HD21 ASN A 7 12.393 9.252 0.101 1.00 1.00 H new ATOM 0 HD22 ASN A 7 13.740 8.173 -0.279 1.00 1.00 H new ATOM 109 N LYS A 8 9.564 8.066 0.067 1.00 1.00 N ATOM 110 CA LYS A 8 8.531 8.747 -0.749 1.00 1.00 C ATOM 111 C LYS A 8 7.142 8.229 -0.410 1.00 1.00 C ATOM 112 O LYS A 8 6.658 7.295 -1.017 1.00 1.00 O ATOM 113 CB LYS A 8 8.815 8.484 -2.228 1.00 1.00 C ATOM 114 CG LYS A 8 9.334 7.053 -2.408 1.00 1.00 C ATOM 115 CD LYS A 8 9.184 6.640 -3.882 1.00 1.00 C ATOM 116 CE LYS A 8 9.871 7.679 -4.771 1.00 1.00 C ATOM 117 NZ LYS A 8 11.214 8.023 -4.224 1.00 1.00 N ATOM 0 H LYS A 8 10.369 7.710 -0.448 1.00 1.00 H new ATOM 0 HA LYS A 8 8.565 9.815 -0.536 1.00 1.00 H new ATOM 0 HB2 LYS A 8 7.907 8.628 -2.814 1.00 1.00 H new ATOM 0 HB3 LYS A 8 9.551 9.197 -2.599 1.00 1.00 H new ATOM 0 HG2 LYS A 8 10.380 6.992 -2.106 1.00 1.00 H new ATOM 0 HG3 LYS A 8 8.777 6.369 -1.768 1.00 1.00 H new ATOM 0 HD2 LYS A 8 9.627 5.657 -4.043 1.00 1.00 H new ATOM 0 HD3 LYS A 8 8.129 6.561 -4.144 1.00 1.00 H new ATOM 0 HE2 LYS A 8 9.973 7.290 -5.784 1.00 1.00 H new ATOM 0 HE3 LYS A 8 9.256 8.577 -4.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 11.855 8.269 -5.006 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 11.129 8.834 -3.578 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 11.597 7.207 -3.706 1.00 1.00 H new ATOM 131 N GLU A 9 6.529 8.871 0.547 1.00 1.00 N ATOM 132 CA GLU A 9 5.162 8.459 0.978 1.00 1.00 C ATOM 133 C GLU A 9 5.002 6.944 0.940 1.00 1.00 C ATOM 134 O GLU A 9 3.913 6.438 0.779 1.00 1.00 O ATOM 135 CB GLU A 9 4.149 9.081 0.012 1.00 1.00 C ATOM 136 CG GLU A 9 3.992 10.564 0.347 1.00 1.00 C ATOM 137 CD GLU A 9 3.569 11.326 -0.911 1.00 1.00 C ATOM 138 OE1 GLU A 9 2.371 11.387 -1.128 1.00 1.00 O ATOM 139 OE2 GLU A 9 4.469 11.802 -1.585 1.00 1.00 O ATOM 0 H GLU A 9 6.918 9.667 1.052 1.00 1.00 H new ATOM 0 HA GLU A 9 4.999 8.797 2.001 1.00 1.00 H new ATOM 0 HB2 GLU A 9 4.487 8.961 -1.017 1.00 1.00 H new ATOM 0 HB3 GLU A 9 3.188 8.572 0.094 1.00 1.00 H new ATOM 0 HG2 GLU A 9 3.247 10.694 1.132 1.00 1.00 H new ATOM 0 HG3 GLU A 9 4.931 10.963 0.729 1.00 1.00 H new ATOM 146 N GLN A 10 6.094 6.254 1.078 1.00 1.00 N ATOM 147 CA GLN A 10 6.032 4.775 1.046 1.00 1.00 C ATOM 148 C GLN A 10 5.884 4.162 2.442 1.00 1.00 C ATOM 149 O GLN A 10 4.858 3.602 2.771 1.00 1.00 O ATOM 150 CB GLN A 10 7.342 4.275 0.422 1.00 1.00 C ATOM 151 CG GLN A 10 7.205 2.806 0.027 1.00 1.00 C ATOM 152 CD GLN A 10 7.473 1.922 1.252 1.00 1.00 C ATOM 153 OE1 GLN A 10 6.476 1.590 2.030 1.00 1.00 O flip ATOM 154 NE2 GLN A 10 8.591 1.529 1.514 1.00 1.00 N flip ATOM 0 H GLN A 10 7.024 6.650 1.211 1.00 1.00 H new ATOM 0 HA GLN A 10 5.157 4.476 0.469 1.00 1.00 H new ATOM 0 HB2 GLN A 10 7.589 4.874 -0.454 1.00 1.00 H new ATOM 0 HB3 GLN A 10 8.161 4.395 1.131 1.00 1.00 H new ATOM 0 HG2 GLN A 10 6.205 2.614 -0.362 1.00 1.00 H new ATOM 0 HG3 GLN A 10 7.908 2.565 -0.770 1.00 1.00 H new ATOM 0 HE21 GLN A 10 9.375 1.783 0.913 1.00 1.00 H new ATOM 0 HE22 GLN A 10 8.747 0.945 2.335 1.00 1.00 H new ATOM 163 N GLN A 11 6.915 4.290 3.233 1.00 1.00 N ATOM 164 CA GLN A 11 6.875 3.720 4.605 1.00 1.00 C ATOM 165 C GLN A 11 5.571 4.054 5.321 1.00 1.00 C ATOM 166 O GLN A 11 4.753 3.187 5.598 1.00 1.00 O ATOM 167 CB GLN A 11 8.034 4.333 5.418 1.00 1.00 C ATOM 168 CG GLN A 11 9.350 4.232 4.631 1.00 1.00 C ATOM 169 CD GLN A 11 10.497 4.714 5.521 1.00 1.00 C ATOM 170 OE1 GLN A 11 11.598 4.204 5.463 1.00 1.00 O ATOM 171 NE2 GLN A 11 10.280 5.694 6.354 1.00 1.00 N ATOM 0 H GLN A 11 7.783 4.766 2.986 1.00 1.00 H new ATOM 0 HA GLN A 11 6.959 2.636 4.525 1.00 1.00 H new ATOM 0 HB2 GLN A 11 7.817 5.377 5.644 1.00 1.00 H new ATOM 0 HB3 GLN A 11 8.132 3.815 6.372 1.00 1.00 H new ATOM 0 HG2 GLN A 11 9.523 3.203 4.317 1.00 1.00 H new ATOM 0 HG3 GLN A 11 9.295 4.837 3.726 1.00 1.00 H new ATOM 0 HE21 GLN A 11 9.357 6.125 6.405 1.00 1.00 H new ATOM 0 HE22 GLN A 11 11.034 6.030 6.954 1.00 1.00 H new ATOM 180 N ASN A 12 5.409 5.307 5.603 1.00 1.00 N ATOM 181 CA ASN A 12 4.183 5.765 6.310 1.00 1.00 C ATOM 182 C ASN A 12 2.908 5.212 5.680 1.00 1.00 C ATOM 183 O ASN A 12 1.991 4.822 6.371 1.00 1.00 O ATOM 184 CB ASN A 12 4.138 7.292 6.219 1.00 1.00 C ATOM 185 CG ASN A 12 4.503 7.716 4.794 1.00 1.00 C ATOM 186 OD1 ASN A 12 3.649 7.498 3.828 1.00 1.00 O flip ATOM 187 ND2 ASN A 12 5.570 8.247 4.545 1.00 1.00 N flip ATOM 0 H ASN A 12 6.076 6.044 5.374 1.00 1.00 H new ATOM 0 HA ASN A 12 4.227 5.409 7.339 1.00 1.00 H new ATOM 0 HB2 ASN A 12 3.143 7.656 6.477 1.00 1.00 H new ATOM 0 HB3 ASN A 12 4.834 7.733 6.933 1.00 1.00 H new ATOM 0 HD21 ASN A 12 6.241 8.420 5.294 1.00 1.00 H new ATOM 0 HD22 ASN A 12 5.793 8.519 3.588 1.00 1.00 H new ATOM 194 N ALA A 13 2.871 5.192 4.383 1.00 1.00 N ATOM 195 CA ALA A 13 1.663 4.678 3.698 1.00 1.00 C ATOM 196 C ALA A 13 1.513 3.154 3.844 1.00 1.00 C ATOM 197 O ALA A 13 0.421 2.657 3.984 1.00 1.00 O ATOM 198 CB ALA A 13 1.771 5.061 2.227 1.00 1.00 C ATOM 0 H ALA A 13 3.622 5.508 3.770 1.00 1.00 H new ATOM 0 HA ALA A 13 0.777 5.118 4.156 1.00 1.00 H new ATOM 0 HB1 ALA A 13 0.895 4.697 1.691 1.00 1.00 H new ATOM 0 HB2 ALA A 13 1.827 6.146 2.137 1.00 1.00 H new ATOM 0 HB3 ALA A 13 2.669 4.615 1.800 1.00 1.00 H new ATOM 204 N PHE A 14 2.598 2.440 3.808 1.00 1.00 N ATOM 205 CA PHE A 14 2.484 0.956 3.956 1.00 1.00 C ATOM 206 C PHE A 14 1.745 0.618 5.239 1.00 1.00 C ATOM 207 O PHE A 14 0.771 -0.132 5.245 1.00 1.00 O ATOM 208 CB PHE A 14 3.901 0.369 4.029 1.00 1.00 C ATOM 209 CG PHE A 14 3.854 -0.978 4.750 1.00 1.00 C ATOM 210 CD1 PHE A 14 3.222 -2.060 4.167 1.00 1.00 C ATOM 211 CD2 PHE A 14 4.443 -1.133 5.993 1.00 1.00 C ATOM 212 CE1 PHE A 14 3.180 -3.277 4.815 1.00 1.00 C ATOM 213 CE2 PHE A 14 4.401 -2.350 6.638 1.00 1.00 C ATOM 214 CZ PHE A 14 3.770 -3.421 6.050 1.00 1.00 C ATOM 0 H PHE A 14 3.543 2.804 3.685 1.00 1.00 H new ATOM 0 HA PHE A 14 1.937 0.542 3.109 1.00 1.00 H new ATOM 0 HB2 PHE A 14 4.307 0.243 3.025 1.00 1.00 H new ATOM 0 HB3 PHE A 14 4.564 1.054 4.557 1.00 1.00 H new ATOM 0 HD1 PHE A 14 2.758 -1.952 3.198 1.00 1.00 H new ATOM 0 HD2 PHE A 14 4.939 -0.295 6.460 1.00 1.00 H new ATOM 0 HE1 PHE A 14 2.684 -4.118 4.353 1.00 1.00 H new ATOM 0 HE2 PHE A 14 4.864 -2.463 7.607 1.00 1.00 H new ATOM 0 HZ PHE A 14 3.737 -4.374 6.557 1.00 1.00 H new ATOM 224 N TYR A 15 2.187 1.184 6.306 1.00 1.00 N ATOM 225 CA TYR A 15 1.508 0.885 7.563 1.00 1.00 C ATOM 226 C TYR A 15 0.051 1.368 7.517 1.00 1.00 C ATOM 227 O TYR A 15 -0.762 0.963 8.323 1.00 1.00 O ATOM 228 CB TYR A 15 2.244 1.599 8.706 1.00 1.00 C ATOM 229 CG TYR A 15 3.642 0.997 8.866 1.00 1.00 C ATOM 230 CD1 TYR A 15 3.815 -0.214 9.504 1.00 1.00 C ATOM 231 CD2 TYR A 15 4.749 1.662 8.380 1.00 1.00 C ATOM 232 CE1 TYR A 15 5.077 -0.753 9.654 1.00 1.00 C ATOM 233 CE2 TYR A 15 6.009 1.125 8.530 1.00 1.00 C ATOM 234 CZ TYR A 15 6.184 -0.086 9.169 1.00 1.00 C ATOM 235 OH TYR A 15 7.444 -0.622 9.320 1.00 1.00 O ATOM 0 H TYR A 15 2.975 1.829 6.360 1.00 1.00 H new ATOM 0 HA TYR A 15 1.513 -0.193 7.724 1.00 1.00 H new ATOM 0 HB2 TYR A 15 2.318 2.666 8.495 1.00 1.00 H new ATOM 0 HB3 TYR A 15 1.683 1.496 9.635 1.00 1.00 H new ATOM 0 HD1 TYR A 15 2.957 -0.744 9.889 1.00 1.00 H new ATOM 0 HD2 TYR A 15 4.627 2.611 7.878 1.00 1.00 H new ATOM 0 HE1 TYR A 15 5.199 -1.703 10.154 1.00 1.00 H new ATOM 0 HE2 TYR A 15 6.867 1.656 8.144 1.00 1.00 H new ATOM 0 HH TYR A 15 8.106 -0.021 8.919 1.00 1.00 H new ATOM 245 N GLU A 16 -0.252 2.231 6.564 1.00 1.00 N ATOM 246 CA GLU A 16 -1.653 2.743 6.460 1.00 1.00 C ATOM 247 C GLU A 16 -2.538 1.750 5.710 1.00 1.00 C ATOM 248 O GLU A 16 -3.525 1.288 6.245 1.00 1.00 O ATOM 249 CB GLU A 16 -1.651 4.084 5.694 1.00 1.00 C ATOM 250 CG GLU A 16 -3.054 4.708 5.744 1.00 1.00 C ATOM 251 CD GLU A 16 -2.945 6.220 5.527 1.00 1.00 C ATOM 252 OE1 GLU A 16 -2.816 6.593 4.371 1.00 1.00 O ATOM 253 OE2 GLU A 16 -3.001 6.917 6.526 1.00 1.00 O ATOM 0 H GLU A 16 0.401 2.593 5.869 1.00 1.00 H new ATOM 0 HA GLU A 16 -2.047 2.880 7.467 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -0.923 4.765 6.135 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -1.350 3.923 4.659 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -3.689 4.264 4.977 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -3.523 4.500 6.706 1.00 1.00 H new ATOM 260 N ILE A 17 -2.177 1.448 4.475 1.00 1.00 N ATOM 261 CA ILE A 17 -3.000 0.473 3.690 1.00 1.00 C ATOM 262 C ILE A 17 -3.424 -0.670 4.585 1.00 1.00 C ATOM 263 O ILE A 17 -4.514 -1.190 4.453 1.00 1.00 O ATOM 264 CB ILE A 17 -2.181 -0.128 2.510 1.00 1.00 C ATOM 265 CG1 ILE A 17 -0.769 0.421 2.476 1.00 1.00 C ATOM 266 CG2 ILE A 17 -2.876 0.226 1.166 1.00 1.00 C ATOM 267 CD1 ILE A 17 0.106 -0.542 1.691 1.00 1.00 C ATOM 0 H ILE A 17 -1.364 1.829 3.990 1.00 1.00 H new ATOM 0 HA ILE A 17 -3.866 1.008 3.300 1.00 1.00 H new ATOM 0 HB ILE A 17 -2.135 -1.208 2.653 1.00 1.00 H new ATOM 0 HG12 ILE A 17 -0.757 1.407 2.012 1.00 1.00 H new ATOM 0 HG13 ILE A 17 -0.385 0.541 3.489 1.00 1.00 H new ATOM 0 HG21 ILE A 17 -2.304 -0.194 0.339 1.00 1.00 H new ATOM 0 HG22 ILE A 17 -3.884 -0.189 1.157 1.00 1.00 H new ATOM 0 HG23 ILE A 17 -2.928 1.309 1.058 1.00 1.00 H new ATOM 0 HD11 ILE A 17 1.127 -0.161 1.657 1.00 1.00 H new ATOM 0 HD12 ILE A 17 0.099 -1.518 2.176 1.00 1.00 H new ATOM 0 HD13 ILE A 17 -0.279 -0.639 0.676 1.00 1.00 H new ATOM 279 N LEU A 18 -2.557 -1.052 5.493 1.00 1.00 N ATOM 280 CA LEU A 18 -2.937 -2.171 6.396 1.00 1.00 C ATOM 281 C LEU A 18 -4.103 -1.785 7.316 1.00 1.00 C ATOM 282 O LEU A 18 -4.365 -2.465 8.289 1.00 1.00 O ATOM 283 CB LEU A 18 -1.724 -2.519 7.299 1.00 1.00 C ATOM 284 CG LEU A 18 -0.891 -3.660 6.698 1.00 1.00 C ATOM 285 CD1 LEU A 18 -1.762 -4.910 6.495 1.00 1.00 C ATOM 286 CD2 LEU A 18 -0.311 -3.208 5.366 1.00 1.00 C ATOM 0 H LEU A 18 -1.632 -0.649 5.642 1.00 1.00 H new ATOM 0 HA LEU A 18 -3.237 -3.015 5.775 1.00 1.00 H new ATOM 0 HB2 LEU A 18 -1.097 -1.636 7.426 1.00 1.00 H new ATOM 0 HB3 LEU A 18 -2.076 -2.806 8.290 1.00 1.00 H new ATOM 0 HG LEU A 18 -0.082 -3.912 7.383 1.00 1.00 H new ATOM 0 HD11 LEU A 18 -1.157 -5.710 6.068 1.00 1.00 H new ATOM 0 HD12 LEU A 18 -2.165 -5.233 7.455 1.00 1.00 H new ATOM 0 HD13 LEU A 18 -2.583 -4.675 5.817 1.00 1.00 H new ATOM 0 HD21 LEU A 18 0.282 -4.015 4.935 1.00 1.00 H new ATOM 0 HD22 LEU A 18 -1.122 -2.949 4.685 1.00 1.00 H new ATOM 0 HD23 LEU A 18 0.323 -2.336 5.523 1.00 1.00 H new ATOM 298 N HIS A 19 -4.795 -0.717 6.995 1.00 1.00 N ATOM 299 CA HIS A 19 -5.931 -0.311 7.873 1.00 1.00 C ATOM 300 C HIS A 19 -7.112 0.263 7.090 1.00 1.00 C ATOM 301 O HIS A 19 -7.748 1.174 7.552 1.00 1.00 O ATOM 302 CB HIS A 19 -5.425 0.773 8.834 1.00 1.00 C ATOM 303 CG HIS A 19 -4.306 0.210 9.693 1.00 1.00 C ATOM 304 ND1 HIS A 19 -4.277 -0.942 10.161 1.00 1.00 N ATOM 305 CD2 HIS A 19 -3.132 0.808 10.114 1.00 1.00 C ATOM 306 CE1 HIS A 19 -3.221 -1.143 10.826 1.00 1.00 C ATOM 307 NE2 HIS A 19 -2.426 -0.076 10.853 1.00 1.00 N ATOM 0 H HIS A 19 -4.626 -0.124 6.183 1.00 1.00 H new ATOM 0 HA HIS A 19 -6.281 -1.202 8.395 1.00 1.00 H new ATOM 0 HB2 HIS A 19 -5.066 1.634 8.270 1.00 1.00 H new ATOM 0 HB3 HIS A 19 -6.241 1.123 9.466 1.00 1.00 H new ATOM 0 HD1 HIS A 19 -5.012 -1.636 10.025 1.00 1.00 H new ATOM 0 HD2 HIS A 19 -2.828 1.820 9.888 1.00 1.00 H new ATOM 0 HE1 HIS A 19 -2.990 -2.076 11.317 1.00 1.00 H new ATOM 315 N LEU A 20 -7.370 -0.262 5.915 1.00 1.00 N ATOM 316 CA LEU A 20 -8.521 0.256 5.112 1.00 1.00 C ATOM 317 C LEU A 20 -9.860 -0.460 5.514 1.00 1.00 C ATOM 318 O LEU A 20 -10.069 -1.611 5.161 1.00 1.00 O ATOM 319 CB LEU A 20 -8.211 -0.057 3.650 1.00 1.00 C ATOM 320 CG LEU A 20 -7.683 1.203 2.957 1.00 1.00 C ATOM 321 CD1 LEU A 20 -8.829 2.230 2.827 1.00 1.00 C ATOM 322 CD2 LEU A 20 -6.504 1.785 3.768 1.00 1.00 C ATOM 0 H LEU A 20 -6.839 -1.018 5.482 1.00 1.00 H new ATOM 0 HA LEU A 20 -8.648 1.324 5.287 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -7.472 -0.856 3.587 1.00 1.00 H new ATOM 0 HB3 LEU A 20 -9.109 -0.413 3.145 1.00 1.00 H new ATOM 0 HG LEU A 20 -7.321 0.958 1.958 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -8.458 3.129 2.334 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -9.638 1.800 2.236 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -9.201 2.487 3.819 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -6.130 2.681 3.274 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -6.844 2.039 4.772 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -5.706 1.045 3.831 1.00 1.00 H new ATOM 334 N PRO A 21 -10.792 0.256 6.188 1.00 1.00 N ATOM 335 CA PRO A 21 -12.061 -0.357 6.621 1.00 1.00 C ATOM 336 C PRO A 21 -13.023 -0.652 5.473 1.00 1.00 C ATOM 337 O PRO A 21 -13.797 -1.586 5.541 1.00 1.00 O ATOM 338 CB PRO A 21 -12.714 0.706 7.528 1.00 1.00 C ATOM 339 CG PRO A 21 -11.945 2.037 7.309 1.00 1.00 C ATOM 340 CD PRO A 21 -10.683 1.705 6.507 1.00 1.00 C ATOM 0 HA PRO A 21 -11.859 -1.314 7.102 1.00 1.00 H new ATOM 0 HB2 PRO A 21 -13.769 0.827 7.280 1.00 1.00 H new ATOM 0 HB3 PRO A 21 -12.665 0.402 8.573 1.00 1.00 H new ATOM 0 HG2 PRO A 21 -12.564 2.755 6.772 1.00 1.00 H new ATOM 0 HG3 PRO A 21 -11.685 2.493 8.264 1.00 1.00 H new ATOM 0 HD2 PRO A 21 -10.625 2.305 5.599 1.00 1.00 H new ATOM 0 HD3 PRO A 21 -9.783 1.914 7.085 1.00 1.00 H new ATOM 348 N ASN A 22 -12.968 0.136 4.446 1.00 1.00 N ATOM 349 CA ASN A 22 -13.897 -0.100 3.315 1.00 1.00 C ATOM 350 C ASN A 22 -13.399 -1.140 2.313 1.00 1.00 C ATOM 351 O ASN A 22 -14.026 -1.317 1.287 1.00 1.00 O ATOM 352 CB ASN A 22 -14.083 1.227 2.570 1.00 1.00 C ATOM 353 CG ASN A 22 -13.251 2.318 3.253 1.00 1.00 C ATOM 354 OD1 ASN A 22 -13.468 2.653 4.400 1.00 1.00 O ATOM 355 ND2 ASN A 22 -12.290 2.897 2.582 1.00 1.00 N ATOM 0 H ASN A 22 -12.329 0.924 4.339 1.00 1.00 H new ATOM 0 HA ASN A 22 -14.825 -0.484 3.738 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -13.776 1.118 1.530 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -15.136 1.508 2.564 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -11.728 3.625 3.022 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -12.102 2.620 1.618 1.00 1.00 H new ATOM 362 N LEU A 23 -12.297 -1.822 2.598 1.00 1.00 N ATOM 363 CA LEU A 23 -11.821 -2.841 1.591 1.00 1.00 C ATOM 364 C LEU A 23 -11.413 -4.162 2.218 1.00 1.00 C ATOM 365 O LEU A 23 -10.975 -4.216 3.351 1.00 1.00 O ATOM 366 CB LEU A 23 -10.590 -2.282 0.874 1.00 1.00 C ATOM 367 CG LEU A 23 -11.005 -1.122 -0.036 1.00 1.00 C ATOM 368 CD1 LEU A 23 -10.075 0.074 0.203 1.00 1.00 C ATOM 369 CD2 LEU A 23 -10.895 -1.574 -1.484 1.00 1.00 C ATOM 0 H LEU A 23 -11.733 -1.724 3.442 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.657 -3.029 0.917 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -9.856 -1.940 1.604 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -10.113 -3.066 0.286 1.00 1.00 H new ATOM 0 HG LEU A 23 -12.031 -0.825 0.182 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -10.370 0.900 -0.445 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -10.145 0.387 1.245 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -9.048 -0.213 -0.021 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -11.188 -0.757 -2.143 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -9.866 -1.862 -1.698 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -11.552 -2.427 -1.650 1.00 1.00 H new ATOM 381 N ASN A 24 -11.570 -5.215 1.447 1.00 1.00 N ATOM 382 CA ASN A 24 -11.191 -6.553 1.950 1.00 1.00 C ATOM 383 C ASN A 24 -9.707 -6.742 1.742 1.00 1.00 C ATOM 384 O ASN A 24 -9.116 -6.122 0.871 1.00 1.00 O ATOM 385 CB ASN A 24 -11.934 -7.629 1.155 1.00 1.00 C ATOM 386 CG ASN A 24 -11.687 -7.418 -0.343 1.00 1.00 C ATOM 387 OD1 ASN A 24 -10.464 -7.486 -0.801 1.00 1.00 O flip ATOM 388 ND2 ASN A 24 -12.602 -7.191 -1.108 1.00 1.00 N flip ATOM 0 H ASN A 24 -11.943 -5.195 0.498 1.00 1.00 H new ATOM 0 HA ASN A 24 -11.446 -6.634 3.007 1.00 1.00 H new ATOM 0 HB2 ASN A 24 -11.592 -8.619 1.455 1.00 1.00 H new ATOM 0 HB3 ASN A 24 -13.002 -7.582 1.369 1.00 1.00 H new ATOM 0 HD21 ASN A 24 -13.558 -7.137 -0.757 1.00 1.00 H new ATOM 0 HD22 ASN A 24 -12.414 -7.055 -2.101 1.00 1.00 H new ATOM 395 N GLU A 25 -9.118 -7.616 2.488 1.00 1.00 N ATOM 396 CA GLU A 25 -7.675 -7.791 2.303 1.00 1.00 C ATOM 397 C GLU A 25 -7.334 -8.660 1.119 1.00 1.00 C ATOM 398 O GLU A 25 -6.204 -8.695 0.705 1.00 1.00 O ATOM 399 CB GLU A 25 -7.048 -8.354 3.569 1.00 1.00 C ATOM 400 CG GLU A 25 -5.974 -7.358 4.022 1.00 1.00 C ATOM 401 CD GLU A 25 -5.323 -7.862 5.311 1.00 1.00 C ATOM 402 OE1 GLU A 25 -4.363 -8.601 5.178 1.00 1.00 O ATOM 403 OE2 GLU A 25 -5.823 -7.477 6.355 1.00 1.00 O ATOM 0 H GLU A 25 -9.561 -8.200 3.197 1.00 1.00 H new ATOM 0 HA GLU A 25 -7.262 -6.804 2.096 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -7.801 -8.488 4.345 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -6.609 -9.333 3.379 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -5.220 -7.240 3.243 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -6.419 -6.377 4.186 1.00 1.00 H new ATOM 410 N GLU A 26 -8.283 -9.357 0.581 1.00 1.00 N ATOM 411 CA GLU A 26 -7.927 -10.180 -0.586 1.00 1.00 C ATOM 412 C GLU A 26 -7.215 -9.263 -1.573 1.00 1.00 C ATOM 413 O GLU A 26 -6.114 -9.534 -2.036 1.00 1.00 O ATOM 414 CB GLU A 26 -9.217 -10.720 -1.229 1.00 1.00 C ATOM 415 CG GLU A 26 -9.073 -12.225 -1.489 1.00 1.00 C ATOM 416 CD GLU A 26 -8.020 -12.458 -2.576 1.00 1.00 C ATOM 417 OE1 GLU A 26 -6.889 -12.077 -2.325 1.00 1.00 O ATOM 418 OE2 GLU A 26 -8.409 -13.001 -3.596 1.00 1.00 O ATOM 0 H GLU A 26 -9.256 -9.392 0.886 1.00 1.00 H new ATOM 0 HA GLU A 26 -7.292 -11.020 -0.304 1.00 1.00 H new ATOM 0 HB2 GLU A 26 -10.067 -10.534 -0.573 1.00 1.00 H new ATOM 0 HB3 GLU A 26 -9.415 -10.197 -2.164 1.00 1.00 H new ATOM 0 HG2 GLU A 26 -8.783 -12.737 -0.571 1.00 1.00 H new ATOM 0 HG3 GLU A 26 -10.030 -12.644 -1.799 1.00 1.00 H new ATOM 425 N GLN A 27 -7.846 -8.149 -1.818 1.00 1.00 N ATOM 426 CA GLN A 27 -7.272 -7.168 -2.747 1.00 1.00 C ATOM 427 C GLN A 27 -6.052 -6.494 -2.121 1.00 1.00 C ATOM 428 O GLN A 27 -4.984 -6.443 -2.729 1.00 1.00 O ATOM 429 CB GLN A 27 -8.346 -6.107 -3.033 1.00 1.00 C ATOM 430 CG GLN A 27 -7.720 -4.911 -3.752 1.00 1.00 C ATOM 431 CD GLN A 27 -6.849 -5.402 -4.909 1.00 1.00 C ATOM 432 OE1 GLN A 27 -7.190 -6.341 -5.602 1.00 1.00 O ATOM 433 NE2 GLN A 27 -5.720 -4.797 -5.153 1.00 1.00 N ATOM 0 H GLN A 27 -8.741 -7.884 -1.406 1.00 1.00 H new ATOM 0 HA GLN A 27 -6.959 -7.665 -3.665 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -9.139 -6.536 -3.646 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -8.805 -5.781 -2.100 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.502 -4.251 -4.128 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -7.119 -4.329 -3.054 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -5.429 -4.009 -4.575 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -5.128 -5.112 -5.922 1.00 1.00 H new ATOM 442 N ARG A 28 -6.204 -5.980 -0.913 1.00 1.00 N ATOM 443 CA ARG A 28 -5.017 -5.326 -0.307 1.00 1.00 C ATOM 444 C ARG A 28 -3.913 -6.319 -0.159 1.00 1.00 C ATOM 445 O ARG A 28 -2.838 -6.106 -0.680 1.00 1.00 O ATOM 446 CB ARG A 28 -5.343 -4.720 1.062 1.00 1.00 C ATOM 447 CG ARG A 28 -6.629 -3.910 0.976 1.00 1.00 C ATOM 448 CD ARG A 28 -6.820 -3.151 2.290 1.00 1.00 C ATOM 449 NE ARG A 28 -6.641 -4.093 3.426 1.00 1.00 N ATOM 450 CZ ARG A 28 -5.654 -3.911 4.261 1.00 1.00 C ATOM 451 NH1 ARG A 28 -4.473 -4.351 3.938 1.00 1.00 N ATOM 452 NH2 ARG A 28 -5.882 -3.296 5.388 1.00 1.00 N ATOM 0 H ARG A 28 -7.058 -5.988 -0.355 1.00 1.00 H new ATOM 0 HA ARG A 28 -4.707 -4.519 -0.971 1.00 1.00 H new ATOM 0 HB2 ARG A 28 -5.450 -5.511 1.804 1.00 1.00 H new ATOM 0 HB3 ARG A 28 -4.523 -4.083 1.392 1.00 1.00 H new ATOM 0 HG2 ARG A 28 -6.581 -3.212 0.140 1.00 1.00 H new ATOM 0 HG3 ARG A 28 -7.478 -4.568 0.793 1.00 1.00 H new ATOM 0 HD2 ARG A 28 -6.101 -2.335 2.361 1.00 1.00 H new ATOM 0 HD3 ARG A 28 -7.813 -2.704 2.325 1.00 1.00 H new ATOM 0 HE ARG A 28 -7.284 -4.875 3.552 1.00 1.00 H new ATOM 0 HH11 ARG A 28 -4.332 -4.827 3.047 1.00 1.00 H new ATOM 0 HH12 ARG A 28 -3.688 -4.219 4.576 1.00 1.00 H new ATOM 0 HH21 ARG A 28 -6.821 -2.965 5.607 1.00 1.00 H new ATOM 0 HH22 ARG A 28 -5.121 -3.146 6.050 1.00 1.00 H new ATOM 466 N ASN A 29 -4.179 -7.387 0.556 1.00 1.00 N ATOM 467 CA ASN A 29 -3.130 -8.417 0.725 1.00 1.00 C ATOM 468 C ASN A 29 -2.402 -8.573 -0.597 1.00 1.00 C ATOM 469 O ASN A 29 -1.238 -8.883 -0.638 1.00 1.00 O ATOM 470 CB ASN A 29 -3.794 -9.751 1.102 1.00 1.00 C ATOM 471 CG ASN A 29 -2.718 -10.740 1.541 1.00 1.00 C ATOM 472 OD1 ASN A 29 -1.543 -10.452 1.500 1.00 1.00 O ATOM 473 ND2 ASN A 29 -3.078 -11.916 1.978 1.00 1.00 N ATOM 0 H ASN A 29 -5.067 -7.580 1.020 1.00 1.00 H new ATOM 0 HA ASN A 29 -2.430 -8.126 1.509 1.00 1.00 H new ATOM 0 HB2 ASN A 29 -4.514 -9.598 1.906 1.00 1.00 H new ATOM 0 HB3 ASN A 29 -4.346 -10.150 0.251 1.00 1.00 H new ATOM 0 HD21 ASN A 29 -2.371 -12.585 2.282 1.00 1.00 H new ATOM 0 HD22 ASN A 29 -4.066 -12.166 2.015 1.00 1.00 H new ATOM 480 N GLY A 30 -3.121 -8.319 -1.670 1.00 1.00 N ATOM 481 CA GLY A 30 -2.506 -8.429 -3.010 1.00 1.00 C ATOM 482 C GLY A 30 -1.375 -7.392 -3.206 1.00 1.00 C ATOM 483 O GLY A 30 -0.205 -7.764 -3.277 1.00 1.00 O ATOM 0 H GLY A 30 -4.103 -8.042 -1.663 1.00 1.00 H new ATOM 0 HA2 GLY A 30 -2.106 -9.434 -3.146 1.00 1.00 H new ATOM 0 HA3 GLY A 30 -3.270 -8.284 -3.774 1.00 1.00 H new ATOM 487 N PHE A 31 -1.710 -6.102 -3.260 1.00 1.00 N ATOM 488 CA PHE A 31 -0.599 -5.120 -3.469 1.00 1.00 C ATOM 489 C PHE A 31 0.444 -5.184 -2.368 1.00 1.00 C ATOM 490 O PHE A 31 1.634 -5.182 -2.647 1.00 1.00 O ATOM 491 CB PHE A 31 -1.094 -3.633 -3.617 1.00 1.00 C ATOM 492 CG PHE A 31 -2.169 -3.227 -2.658 1.00 1.00 C ATOM 493 CD1 PHE A 31 -1.852 -2.939 -1.365 1.00 1.00 C ATOM 494 CD2 PHE A 31 -3.450 -2.991 -3.110 1.00 1.00 C ATOM 495 CE1 PHE A 31 -2.787 -2.422 -0.518 1.00 1.00 C ATOM 496 CE2 PHE A 31 -4.390 -2.462 -2.270 1.00 1.00 C ATOM 497 CZ PHE A 31 -4.063 -2.178 -0.968 1.00 1.00 C ATOM 0 H PHE A 31 -2.651 -5.717 -3.173 1.00 1.00 H new ATOM 0 HA PHE A 31 -0.147 -5.422 -4.413 1.00 1.00 H new ATOM 0 HB2 PHE A 31 -0.241 -2.967 -3.487 1.00 1.00 H new ATOM 0 HB3 PHE A 31 -1.460 -3.487 -4.633 1.00 1.00 H new ATOM 0 HD1 PHE A 31 -0.850 -3.122 -1.007 1.00 1.00 H new ATOM 0 HD2 PHE A 31 -3.712 -3.225 -4.131 1.00 1.00 H new ATOM 0 HE1 PHE A 31 -2.525 -2.204 0.507 1.00 1.00 H new ATOM 0 HE2 PHE A 31 -5.389 -2.268 -2.631 1.00 1.00 H new ATOM 0 HZ PHE A 31 -4.804 -1.765 -0.300 1.00 1.00 H new ATOM 507 N ILE A 32 0.027 -5.256 -1.147 1.00 1.00 N ATOM 508 CA ILE A 32 1.060 -5.305 -0.104 1.00 1.00 C ATOM 509 C ILE A 32 1.869 -6.585 -0.141 1.00 1.00 C ATOM 510 O ILE A 32 3.069 -6.515 -0.237 1.00 1.00 O ATOM 511 CB ILE A 32 0.469 -5.096 1.298 1.00 1.00 C ATOM 512 CG1 ILE A 32 -1.063 -5.189 1.275 1.00 1.00 C ATOM 513 CG2 ILE A 32 0.905 -3.688 1.722 1.00 1.00 C ATOM 514 CD1 ILE A 32 -1.645 -4.745 2.606 1.00 1.00 C ATOM 0 H ILE A 32 -0.944 -5.282 -0.836 1.00 1.00 H new ATOM 0 HA ILE A 32 1.737 -4.479 -0.322 1.00 1.00 H new ATOM 0 HB ILE A 32 0.818 -5.862 1.990 1.00 1.00 H new ATOM 0 HG12 ILE A 32 -1.459 -4.566 0.473 1.00 1.00 H new ATOM 0 HG13 ILE A 32 -1.367 -6.214 1.062 1.00 1.00 H new ATOM 0 HG21 ILE A 32 0.517 -3.471 2.717 1.00 1.00 H new ATOM 0 HG22 ILE A 32 1.994 -3.633 1.737 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.515 -2.957 1.013 1.00 1.00 H new ATOM 0 HD11 ILE A 32 -2.732 -4.818 2.570 1.00 1.00 H new ATOM 0 HD12 ILE A 32 -1.264 -5.386 3.401 1.00 1.00 H new ATOM 0 HD13 ILE A 32 -1.357 -3.712 2.803 1.00 1.00 H new ATOM 526 N GLN A 33 1.223 -7.731 -0.084 1.00 1.00 N ATOM 527 CA GLN A 33 2.016 -9.003 -0.115 1.00 1.00 C ATOM 528 C GLN A 33 3.173 -8.894 -1.091 1.00 1.00 C ATOM 529 O GLN A 33 4.250 -9.401 -0.840 1.00 1.00 O ATOM 530 CB GLN A 33 1.116 -10.165 -0.559 1.00 1.00 C ATOM 531 CG GLN A 33 1.967 -11.426 -0.710 1.00 1.00 C ATOM 532 CD GLN A 33 2.500 -11.515 -2.143 1.00 1.00 C ATOM 533 OE1 GLN A 33 2.376 -10.595 -2.925 1.00 1.00 O ATOM 534 NE2 GLN A 33 3.101 -12.606 -2.523 1.00 1.00 N ATOM 0 H GLN A 33 0.211 -7.839 -0.019 1.00 1.00 H new ATOM 0 HA GLN A 33 2.404 -9.183 0.888 1.00 1.00 H new ATOM 0 HB2 GLN A 33 0.326 -10.330 0.173 1.00 1.00 H new ATOM 0 HB3 GLN A 33 0.629 -9.924 -1.504 1.00 1.00 H new ATOM 0 HG2 GLN A 33 2.796 -11.404 -0.003 1.00 1.00 H new ATOM 0 HG3 GLN A 33 1.372 -12.309 -0.477 1.00 1.00 H new ATOM 0 HE21 GLN A 33 3.208 -13.383 -1.871 1.00 1.00 H new ATOM 0 HE22 GLN A 33 3.464 -12.684 -3.473 1.00 1.00 H new ATOM 543 N SER A 34 2.939 -8.233 -2.188 1.00 1.00 N ATOM 544 CA SER A 34 4.033 -8.084 -3.173 1.00 1.00 C ATOM 545 C SER A 34 5.126 -7.152 -2.629 1.00 1.00 C ATOM 546 O SER A 34 6.298 -7.368 -2.860 1.00 1.00 O ATOM 547 CB SER A 34 3.452 -7.476 -4.456 1.00 1.00 C ATOM 548 OG SER A 34 2.120 -7.126 -4.105 1.00 1.00 O ATOM 0 H SER A 34 2.052 -7.797 -2.439 1.00 1.00 H new ATOM 0 HA SER A 34 4.473 -9.061 -3.372 1.00 1.00 H new ATOM 0 HB2 SER A 34 4.022 -6.604 -4.776 1.00 1.00 H new ATOM 0 HB3 SER A 34 3.472 -8.190 -5.279 1.00 1.00 H new ATOM 0 HG SER A 34 2.091 -6.187 -3.825 1.00 1.00 H new ATOM 554 N LEU A 35 4.713 -6.131 -1.912 1.00 1.00 N ATOM 555 CA LEU A 35 5.681 -5.177 -1.347 1.00 1.00 C ATOM 556 C LEU A 35 6.435 -5.757 -0.140 1.00 1.00 C ATOM 557 O LEU A 35 7.518 -5.307 0.175 1.00 1.00 O ATOM 558 CB LEU A 35 4.858 -3.921 -0.972 1.00 1.00 C ATOM 559 CG LEU A 35 5.243 -3.319 0.396 1.00 1.00 C ATOM 560 CD1 LEU A 35 4.558 -1.926 0.548 1.00 1.00 C ATOM 561 CD2 LEU A 35 4.778 -4.216 1.565 1.00 1.00 C ATOM 0 H LEU A 35 3.736 -5.929 -1.701 1.00 1.00 H new ATOM 0 HA LEU A 35 6.463 -4.937 -2.068 1.00 1.00 H new ATOM 0 HB2 LEU A 35 4.993 -3.164 -1.744 1.00 1.00 H new ATOM 0 HB3 LEU A 35 3.799 -4.180 -0.961 1.00 1.00 H new ATOM 0 HG LEU A 35 6.329 -3.234 0.431 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.824 -1.493 1.512 1.00 1.00 H new ATOM 0 HD12 LEU A 35 4.894 -1.266 -0.252 1.00 1.00 H new ATOM 0 HD13 LEU A 35 3.476 -2.044 0.490 1.00 1.00 H new ATOM 0 HD21 LEU A 35 5.067 -3.759 2.511 1.00 1.00 H new ATOM 0 HD22 LEU A 35 3.694 -4.325 1.531 1.00 1.00 H new ATOM 0 HD23 LEU A 35 5.244 -5.197 1.478 1.00 1.00 H new ATOM 573 N LYS A 36 5.860 -6.745 0.520 1.00 1.00 N ATOM 574 CA LYS A 36 6.578 -7.334 1.697 1.00 1.00 C ATOM 575 C LYS A 36 7.672 -8.280 1.221 1.00 1.00 C ATOM 576 O LYS A 36 8.820 -8.149 1.599 1.00 1.00 O ATOM 577 CB LYS A 36 5.595 -8.165 2.571 1.00 1.00 C ATOM 578 CG LYS A 36 4.743 -7.241 3.487 1.00 1.00 C ATOM 579 CD LYS A 36 3.341 -7.035 2.883 1.00 1.00 C ATOM 580 CE LYS A 36 2.335 -7.961 3.576 1.00 1.00 C ATOM 581 NZ LYS A 36 1.849 -7.347 4.841 1.00 1.00 N ATOM 0 H LYS A 36 4.952 -7.156 0.301 1.00 1.00 H new ATOM 0 HA LYS A 36 7.001 -6.512 2.275 1.00 1.00 H new ATOM 0 HB2 LYS A 36 4.938 -8.751 1.928 1.00 1.00 H new ATOM 0 HB3 LYS A 36 6.156 -8.872 3.183 1.00 1.00 H new ATOM 0 HG2 LYS A 36 4.657 -7.681 4.480 1.00 1.00 H new ATOM 0 HG3 LYS A 36 5.240 -6.278 3.607 1.00 1.00 H new ATOM 0 HD2 LYS A 36 3.034 -5.996 3.001 1.00 1.00 H new ATOM 0 HD3 LYS A 36 3.362 -7.242 1.813 1.00 1.00 H new ATOM 0 HE2 LYS A 36 1.493 -8.155 2.912 1.00 1.00 H new ATOM 0 HE3 LYS A 36 2.802 -8.923 3.787 1.00 1.00 H new ATOM 0 HZ1 LYS A 36 1.168 -7.987 5.298 1.00 1.00 H new ATOM 0 HZ2 LYS A 36 2.654 -7.184 5.479 1.00 1.00 H new ATOM 0 HZ3 LYS A 36 1.385 -6.440 4.631 1.00 1.00 H new ATOM 595 N ASP A 37 7.293 -9.218 0.396 1.00 1.00 N ATOM 596 CA ASP A 37 8.288 -10.189 -0.121 1.00 1.00 C ATOM 597 C ASP A 37 9.321 -9.500 -1.006 1.00 1.00 C ATOM 598 O ASP A 37 10.500 -9.782 -0.914 1.00 1.00 O ATOM 599 CB ASP A 37 7.545 -11.238 -0.958 1.00 1.00 C ATOM 600 CG ASP A 37 8.446 -11.699 -2.105 1.00 1.00 C ATOM 601 OD1 ASP A 37 9.577 -12.040 -1.800 1.00 1.00 O ATOM 602 OD2 ASP A 37 7.954 -11.683 -3.221 1.00 1.00 O ATOM 0 H ASP A 37 6.339 -9.351 0.061 1.00 1.00 H new ATOM 0 HA ASP A 37 8.806 -10.647 0.722 1.00 1.00 H new ATOM 0 HB2 ASP A 37 7.267 -12.088 -0.334 1.00 1.00 H new ATOM 0 HB3 ASP A 37 6.621 -10.817 -1.353 1.00 1.00 H new ATOM 607 N ASP A 38 8.856 -8.605 -1.843 1.00 1.00 N ATOM 608 CA ASP A 38 9.786 -7.878 -2.753 1.00 1.00 C ATOM 609 C ASP A 38 9.720 -6.355 -2.514 1.00 1.00 C ATOM 610 O ASP A 38 9.001 -5.658 -3.203 1.00 1.00 O ATOM 611 CB ASP A 38 9.337 -8.156 -4.196 1.00 1.00 C ATOM 612 CG ASP A 38 10.022 -9.430 -4.697 1.00 1.00 C ATOM 613 OD1 ASP A 38 11.232 -9.482 -4.560 1.00 1.00 O ATOM 614 OD2 ASP A 38 9.295 -10.279 -5.185 1.00 1.00 O ATOM 0 H ASP A 38 7.873 -8.349 -1.933 1.00 1.00 H new ATOM 0 HA ASP A 38 10.806 -8.216 -2.568 1.00 1.00 H new ATOM 0 HB2 ASP A 38 8.254 -8.270 -4.237 1.00 1.00 H new ATOM 0 HB3 ASP A 38 9.593 -7.314 -4.839 1.00 1.00 H new ATOM 619 N PRO A 39 10.478 -5.861 -1.537 1.00 1.00 N ATOM 620 CA PRO A 39 10.490 -4.423 -1.226 1.00 1.00 C ATOM 621 C PRO A 39 11.106 -3.596 -2.358 1.00 1.00 C ATOM 622 O PRO A 39 11.640 -2.531 -2.128 1.00 1.00 O ATOM 623 CB PRO A 39 11.375 -4.302 0.035 1.00 1.00 C ATOM 624 CG PRO A 39 11.839 -5.733 0.423 1.00 1.00 C ATOM 625 CD PRO A 39 11.342 -6.687 -0.671 1.00 1.00 C ATOM 0 HA PRO A 39 9.477 -4.047 -1.085 1.00 1.00 H new ATOM 0 HB2 PRO A 39 12.234 -3.661 -0.161 1.00 1.00 H new ATOM 0 HB3 PRO A 39 10.816 -3.846 0.852 1.00 1.00 H new ATOM 0 HG2 PRO A 39 12.925 -5.776 0.505 1.00 1.00 H new ATOM 0 HG3 PRO A 39 11.434 -6.018 1.394 1.00 1.00 H new ATOM 0 HD2 PRO A 39 12.174 -7.110 -1.233 1.00 1.00 H new ATOM 0 HD3 PRO A 39 10.788 -7.523 -0.244 1.00 1.00 H new ATOM 633 N SER A 40 11.045 -4.112 -3.554 1.00 1.00 N ATOM 634 CA SER A 40 11.623 -3.367 -4.701 1.00 1.00 C ATOM 635 C SER A 40 10.580 -2.491 -5.412 1.00 1.00 C ATOM 636 O SER A 40 10.853 -1.965 -6.471 1.00 1.00 O ATOM 637 CB SER A 40 12.177 -4.388 -5.703 1.00 1.00 C ATOM 638 OG SER A 40 11.077 -5.243 -5.972 1.00 1.00 O ATOM 0 H SER A 40 10.622 -5.011 -3.784 1.00 1.00 H new ATOM 0 HA SER A 40 12.404 -2.708 -4.322 1.00 1.00 H new ATOM 0 HB2 SER A 40 12.535 -3.902 -6.611 1.00 1.00 H new ATOM 0 HB3 SER A 40 13.018 -4.941 -5.285 1.00 1.00 H new ATOM 0 HG SER A 40 11.348 -5.933 -6.613 1.00 1.00 H new ATOM 644 N GLN A 41 9.408 -2.341 -4.833 1.00 1.00 N ATOM 645 CA GLN A 41 8.378 -1.495 -5.518 1.00 1.00 C ATOM 646 C GLN A 41 7.275 -1.005 -4.562 1.00 1.00 C ATOM 647 O GLN A 41 6.202 -0.649 -5.001 1.00 1.00 O ATOM 648 CB GLN A 41 7.698 -2.364 -6.617 1.00 1.00 C ATOM 649 CG GLN A 41 8.526 -2.377 -7.919 1.00 1.00 C ATOM 650 CD GLN A 41 7.567 -2.419 -9.112 1.00 1.00 C ATOM 651 OE1 GLN A 41 6.914 -3.412 -9.365 1.00 1.00 O ATOM 652 NE2 GLN A 41 7.450 -1.362 -9.867 1.00 1.00 N ATOM 0 H GLN A 41 9.127 -2.754 -3.944 1.00 1.00 H new ATOM 0 HA GLN A 41 8.885 -0.619 -5.923 1.00 1.00 H new ATOM 0 HB2 GLN A 41 7.575 -3.384 -6.252 1.00 1.00 H new ATOM 0 HB3 GLN A 41 6.700 -1.977 -6.823 1.00 1.00 H new ATOM 0 HG2 GLN A 41 9.158 -1.491 -7.974 1.00 1.00 H new ATOM 0 HG3 GLN A 41 9.189 -3.242 -7.937 1.00 1.00 H new ATOM 0 HE21 GLN A 41 7.995 -0.525 -9.661 1.00 1.00 H new ATOM 0 HE22 GLN A 41 6.813 -1.372 -10.664 1.00 1.00 H new ATOM 661 N SER A 42 7.537 -0.967 -3.287 1.00 1.00 N ATOM 662 CA SER A 42 6.456 -0.496 -2.377 1.00 1.00 C ATOM 663 C SER A 42 5.878 0.825 -2.849 1.00 1.00 C ATOM 664 O SER A 42 4.693 0.918 -3.093 1.00 1.00 O ATOM 665 CB SER A 42 7.000 -0.334 -0.948 1.00 1.00 C ATOM 666 OG SER A 42 5.953 0.305 -0.236 1.00 1.00 O ATOM 0 H SER A 42 8.418 -1.231 -2.846 1.00 1.00 H new ATOM 0 HA SER A 42 5.664 -1.244 -2.385 1.00 1.00 H new ATOM 0 HB2 SER A 42 7.248 -1.299 -0.507 1.00 1.00 H new ATOM 0 HB3 SER A 42 7.911 0.265 -0.936 1.00 1.00 H new ATOM 0 HG SER A 42 5.983 0.032 0.705 1.00 1.00 H new ATOM 672 N ALA A 43 6.713 1.816 -2.979 1.00 1.00 N ATOM 673 CA ALA A 43 6.210 3.137 -3.437 1.00 1.00 C ATOM 674 C ALA A 43 5.158 2.973 -4.533 1.00 1.00 C ATOM 675 O ALA A 43 4.225 3.751 -4.626 1.00 1.00 O ATOM 676 CB ALA A 43 7.390 3.923 -3.997 1.00 1.00 C ATOM 0 H ALA A 43 7.714 1.769 -2.789 1.00 1.00 H new ATOM 0 HA ALA A 43 5.751 3.657 -2.597 1.00 1.00 H new ATOM 0 HB1 ALA A 43 7.047 4.899 -4.341 1.00 1.00 H new ATOM 0 HB2 ALA A 43 8.141 4.056 -3.218 1.00 1.00 H new ATOM 0 HB3 ALA A 43 7.827 3.377 -4.833 1.00 1.00 H new ATOM 682 N ASN A 44 5.320 1.957 -5.335 1.00 1.00 N ATOM 683 CA ASN A 44 4.338 1.731 -6.421 1.00 1.00 C ATOM 684 C ASN A 44 3.116 0.975 -5.888 1.00 1.00 C ATOM 685 O ASN A 44 2.002 1.440 -6.022 1.00 1.00 O ATOM 686 CB ASN A 44 5.016 0.916 -7.529 1.00 1.00 C ATOM 687 CG ASN A 44 3.957 0.132 -8.305 1.00 1.00 C ATOM 688 OD1 ASN A 44 2.843 0.584 -8.483 1.00 1.00 O ATOM 689 ND2 ASN A 44 4.261 -1.043 -8.785 1.00 1.00 N ATOM 0 H ASN A 44 6.083 1.282 -5.283 1.00 1.00 H new ATOM 0 HA ASN A 44 4.000 2.690 -6.815 1.00 1.00 H new ATOM 0 HB2 ASN A 44 5.559 1.579 -8.202 1.00 1.00 H new ATOM 0 HB3 ASN A 44 5.747 0.232 -7.097 1.00 1.00 H new ATOM 0 HD21 ASN A 44 3.565 -1.577 -9.306 1.00 1.00 H new ATOM 0 HD22 ASN A 44 5.194 -1.428 -8.639 1.00 1.00 H new ATOM 696 N LEU A 45 3.341 -0.183 -5.296 1.00 1.00 N ATOM 697 CA LEU A 45 2.184 -0.958 -4.744 1.00 1.00 C ATOM 698 C LEU A 45 1.284 -0.009 -3.983 1.00 1.00 C ATOM 699 O LEU A 45 0.093 -0.224 -3.863 1.00 1.00 O ATOM 700 CB LEU A 45 2.708 -2.013 -3.724 1.00 1.00 C ATOM 701 CG LEU A 45 3.246 -3.305 -4.404 1.00 1.00 C ATOM 702 CD1 LEU A 45 2.230 -3.873 -5.402 1.00 1.00 C ATOM 703 CD2 LEU A 45 4.559 -3.012 -5.126 1.00 1.00 C ATOM 0 H LEU A 45 4.258 -0.614 -5.175 1.00 1.00 H new ATOM 0 HA LEU A 45 1.651 -1.443 -5.562 1.00 1.00 H new ATOM 0 HB2 LEU A 45 3.502 -1.567 -3.125 1.00 1.00 H new ATOM 0 HB3 LEU A 45 1.903 -2.278 -3.039 1.00 1.00 H new ATOM 0 HG LEU A 45 3.415 -4.046 -3.623 1.00 1.00 H new ATOM 0 HD11 LEU A 45 2.635 -4.775 -5.860 1.00 1.00 H new ATOM 0 HD12 LEU A 45 1.304 -4.116 -4.880 1.00 1.00 H new ATOM 0 HD13 LEU A 45 2.027 -3.133 -6.176 1.00 1.00 H new ATOM 0 HD21 LEU A 45 4.926 -3.923 -5.598 1.00 1.00 H new ATOM 0 HD22 LEU A 45 4.393 -2.250 -5.888 1.00 1.00 H new ATOM 0 HD23 LEU A 45 5.297 -2.653 -4.408 1.00 1.00 H new ATOM 715 N LEU A 46 1.881 1.031 -3.485 1.00 1.00 N ATOM 716 CA LEU A 46 1.108 2.018 -2.723 1.00 1.00 C ATOM 717 C LEU A 46 0.262 2.888 -3.634 1.00 1.00 C ATOM 718 O LEU A 46 -0.948 2.864 -3.548 1.00 1.00 O ATOM 719 CB LEU A 46 2.105 2.912 -1.962 1.00 1.00 C ATOM 720 CG LEU A 46 2.264 2.461 -0.504 1.00 1.00 C ATOM 721 CD1 LEU A 46 0.930 2.642 0.247 1.00 1.00 C ATOM 722 CD2 LEU A 46 2.727 0.999 -0.448 1.00 1.00 C ATOM 0 H LEU A 46 2.876 1.234 -3.578 1.00 1.00 H new ATOM 0 HA LEU A 46 0.437 1.495 -2.042 1.00 1.00 H new ATOM 0 HB2 LEU A 46 3.074 2.884 -2.460 1.00 1.00 H new ATOM 0 HB3 LEU A 46 1.762 3.946 -1.989 1.00 1.00 H new ATOM 0 HG LEU A 46 3.022 3.076 -0.019 1.00 1.00 H new ATOM 0 HD11 LEU A 46 1.048 2.320 1.282 1.00 1.00 H new ATOM 0 HD12 LEU A 46 0.639 3.692 0.225 1.00 1.00 H new ATOM 0 HD13 LEU A 46 0.158 2.042 -0.234 1.00 1.00 H new ATOM 0 HD21 LEU A 46 2.836 0.691 0.592 1.00 1.00 H new ATOM 0 HD22 LEU A 46 1.989 0.365 -0.939 1.00 1.00 H new ATOM 0 HD23 LEU A 46 3.686 0.901 -0.958 1.00 1.00 H new ATOM 734 N ALA A 47 0.906 3.633 -4.498 1.00 1.00 N ATOM 735 CA ALA A 47 0.134 4.514 -5.417 1.00 1.00 C ATOM 736 C ALA A 47 -1.127 3.810 -5.902 1.00 1.00 C ATOM 737 O ALA A 47 -2.199 4.389 -5.930 1.00 1.00 O ATOM 738 CB ALA A 47 1.016 4.837 -6.631 1.00 1.00 C ATOM 0 H ALA A 47 1.920 3.667 -4.604 1.00 1.00 H new ATOM 0 HA ALA A 47 -0.152 5.423 -4.887 1.00 1.00 H new ATOM 0 HB1 ALA A 47 0.468 5.482 -7.317 1.00 1.00 H new ATOM 0 HB2 ALA A 47 1.921 5.346 -6.298 1.00 1.00 H new ATOM 0 HB3 ALA A 47 1.287 3.912 -7.140 1.00 1.00 H new ATOM 744 N GLU A 48 -0.981 2.565 -6.249 1.00 1.00 N ATOM 745 CA GLU A 48 -2.154 1.802 -6.730 1.00 1.00 C ATOM 746 C GLU A 48 -3.190 1.631 -5.621 1.00 1.00 C ATOM 747 O GLU A 48 -4.366 1.856 -5.832 1.00 1.00 O ATOM 748 CB GLU A 48 -1.680 0.416 -7.179 1.00 1.00 C ATOM 749 CG GLU A 48 -1.052 0.525 -8.571 1.00 1.00 C ATOM 750 CD GLU A 48 -0.661 -0.870 -9.058 1.00 1.00 C ATOM 751 OE1 GLU A 48 -0.962 -1.801 -8.330 1.00 1.00 O ATOM 752 OE2 GLU A 48 -0.084 -0.927 -10.131 1.00 1.00 O ATOM 0 H GLU A 48 -0.103 2.047 -6.220 1.00 1.00 H new ATOM 0 HA GLU A 48 -2.615 2.347 -7.554 1.00 1.00 H new ATOM 0 HB2 GLU A 48 -0.954 0.019 -6.469 1.00 1.00 H new ATOM 0 HB3 GLU A 48 -2.519 -0.280 -7.199 1.00 1.00 H new ATOM 0 HG2 GLU A 48 -1.757 0.981 -9.266 1.00 1.00 H new ATOM 0 HG3 GLU A 48 -0.174 1.170 -8.537 1.00 1.00 H new ATOM 759 N ALA A 49 -2.745 1.237 -4.451 1.00 1.00 N ATOM 760 CA ALA A 49 -3.721 1.056 -3.351 1.00 1.00 C ATOM 761 C ALA A 49 -4.327 2.380 -2.929 1.00 1.00 C ATOM 762 O ALA A 49 -5.533 2.525 -2.899 1.00 1.00 O ATOM 763 CB ALA A 49 -3.037 0.454 -2.136 1.00 1.00 C ATOM 0 H ALA A 49 -1.771 1.039 -4.221 1.00 1.00 H new ATOM 0 HA ALA A 49 -4.504 0.395 -3.722 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -3.765 0.326 -1.335 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -2.614 -0.515 -2.400 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -2.241 1.118 -1.800 1.00 1.00 H new ATOM 769 N LYS A 50 -3.478 3.323 -2.586 1.00 1.00 N ATOM 770 CA LYS A 50 -4.000 4.645 -2.162 1.00 1.00 C ATOM 771 C LYS A 50 -5.134 5.064 -3.079 1.00 1.00 C ATOM 772 O LYS A 50 -6.092 5.677 -2.654 1.00 1.00 O ATOM 773 CB LYS A 50 -2.871 5.686 -2.252 1.00 1.00 C ATOM 774 CG LYS A 50 -1.666 5.232 -1.410 1.00 1.00 C ATOM 775 CD LYS A 50 -2.080 5.113 0.076 1.00 1.00 C ATOM 776 CE LYS A 50 -2.415 3.645 0.459 1.00 1.00 C ATOM 777 NZ LYS A 50 -3.739 3.592 1.140 1.00 1.00 N ATOM 0 H LYS A 50 -2.462 3.229 -2.584 1.00 1.00 H new ATOM 0 HA LYS A 50 -4.366 4.579 -1.137 1.00 1.00 H new ATOM 0 HB2 LYS A 50 -2.569 5.818 -3.291 1.00 1.00 H new ATOM 0 HB3 LYS A 50 -3.228 6.653 -1.898 1.00 1.00 H new ATOM 0 HG2 LYS A 50 -1.298 4.272 -1.773 1.00 1.00 H new ATOM 0 HG3 LYS A 50 -0.849 5.946 -1.513 1.00 1.00 H new ATOM 0 HD2 LYS A 50 -1.273 5.480 0.710 1.00 1.00 H new ATOM 0 HD3 LYS A 50 -2.947 5.746 0.265 1.00 1.00 H new ATOM 0 HE2 LYS A 50 -2.430 3.021 -0.434 1.00 1.00 H new ATOM 0 HE3 LYS A 50 -1.642 3.245 1.115 1.00 1.00 H new ATOM 0 HZ1 LYS A 50 -3.649 3.066 2.033 1.00 1.00 H new ATOM 0 HZ2 LYS A 50 -4.066 4.559 1.339 1.00 1.00 H new ATOM 0 HZ3 LYS A 50 -4.427 3.114 0.524 1.00 1.00 H new ATOM 791 N LYS A 51 -5.000 4.723 -4.333 1.00 1.00 N ATOM 792 CA LYS A 51 -6.063 5.080 -5.294 1.00 1.00 C ATOM 793 C LYS A 51 -7.317 4.256 -5.011 1.00 1.00 C ATOM 794 O LYS A 51 -8.424 4.748 -5.102 1.00 1.00 O ATOM 795 CB LYS A 51 -5.564 4.749 -6.707 1.00 1.00 C ATOM 796 CG LYS A 51 -6.382 5.542 -7.725 1.00 1.00 C ATOM 797 CD LYS A 51 -6.422 4.776 -9.050 1.00 1.00 C ATOM 798 CE LYS A 51 -7.636 3.844 -9.055 1.00 1.00 C ATOM 799 NZ LYS A 51 -8.890 4.627 -9.243 1.00 1.00 N ATOM 0 H LYS A 51 -4.205 4.217 -4.723 1.00 1.00 H new ATOM 0 HA LYS A 51 -6.301 6.140 -5.204 1.00 1.00 H new ATOM 0 HB2 LYS A 51 -4.507 4.996 -6.800 1.00 1.00 H new ATOM 0 HB3 LYS A 51 -5.659 3.680 -6.899 1.00 1.00 H new ATOM 0 HG2 LYS A 51 -7.394 5.699 -7.352 1.00 1.00 H new ATOM 0 HG3 LYS A 51 -5.941 6.527 -7.875 1.00 1.00 H new ATOM 0 HD2 LYS A 51 -6.480 5.473 -9.886 1.00 1.00 H new ATOM 0 HD3 LYS A 51 -5.506 4.200 -9.179 1.00 1.00 H new ATOM 0 HE2 LYS A 51 -7.535 3.109 -9.854 1.00 1.00 H new ATOM 0 HE3 LYS A 51 -7.682 3.291 -8.117 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 -9.632 4.008 -9.627 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 -9.200 5.011 -8.328 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 -8.715 5.409 -9.905 1.00 1.00 H new ATOM 813 N LEU A 52 -7.106 3.012 -4.666 1.00 1.00 N ATOM 814 CA LEU A 52 -8.258 2.121 -4.366 1.00 1.00 C ATOM 815 C LEU A 52 -8.917 2.528 -3.052 1.00 1.00 C ATOM 816 O LEU A 52 -10.037 2.149 -2.770 1.00 1.00 O ATOM 817 CB LEU A 52 -7.702 0.651 -4.320 1.00 1.00 C ATOM 818 CG LEU A 52 -8.095 -0.141 -3.030 1.00 1.00 C ATOM 819 CD1 LEU A 52 -7.927 -1.643 -3.342 1.00 1.00 C ATOM 820 CD2 LEU A 52 -7.177 0.246 -1.825 1.00 1.00 C ATOM 0 H LEU A 52 -6.187 2.579 -4.580 1.00 1.00 H new ATOM 0 HA LEU A 52 -9.031 2.197 -5.131 1.00 1.00 H new ATOM 0 HB2 LEU A 52 -8.068 0.108 -5.192 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -6.615 0.683 -4.397 1.00 1.00 H new ATOM 0 HG LEU A 52 -9.122 0.097 -2.752 1.00 1.00 H new ATOM 0 HD11 LEU A 52 -8.193 -2.229 -2.462 1.00 1.00 H new ATOM 0 HD12 LEU A 52 -8.579 -1.917 -4.172 1.00 1.00 H new ATOM 0 HD13 LEU A 52 -6.891 -1.845 -3.613 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -7.475 -0.321 -0.943 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -6.140 0.017 -2.070 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -7.275 1.312 -1.621 1.00 1.00 H new ATOM 832 N ASN A 53 -8.225 3.317 -2.283 1.00 1.00 N ATOM 833 CA ASN A 53 -8.794 3.753 -0.998 1.00 1.00 C ATOM 834 C ASN A 53 -10.003 4.663 -1.213 1.00 1.00 C ATOM 835 O ASN A 53 -11.037 4.476 -0.607 1.00 1.00 O ATOM 836 CB ASN A 53 -7.701 4.536 -0.258 1.00 1.00 C ATOM 837 CG ASN A 53 -8.083 4.737 1.214 1.00 1.00 C ATOM 838 OD1 ASN A 53 -9.342 4.747 1.552 1.00 1.00 O flip ATOM 839 ND2 ASN A 53 -7.234 4.889 2.070 1.00 1.00 N flip ATOM 0 H ASN A 53 -7.293 3.674 -2.494 1.00 1.00 H new ATOM 0 HA ASN A 53 -9.124 2.885 -0.428 1.00 1.00 H new ATOM 0 HB2 ASN A 53 -6.754 4.000 -0.324 1.00 1.00 H new ATOM 0 HB3 ASN A 53 -7.553 5.504 -0.736 1.00 1.00 H new ATOM 0 HD21 ASN A 53 -6.246 4.883 1.815 1.00 1.00 H new ATOM 0 HD22 ASN A 53 -7.509 5.023 3.043 1.00 1.00 H new ATOM 846 N ASP A 54 -9.853 5.621 -2.089 1.00 1.00 N ATOM 847 CA ASP A 54 -10.980 6.555 -2.355 1.00 1.00 C ATOM 848 C ASP A 54 -11.907 6.039 -3.458 1.00 1.00 C ATOM 849 O ASP A 54 -13.032 6.482 -3.578 1.00 1.00 O ATOM 850 CB ASP A 54 -10.385 7.894 -2.811 1.00 1.00 C ATOM 851 CG ASP A 54 -11.405 8.631 -3.679 1.00 1.00 C ATOM 852 OD1 ASP A 54 -12.229 9.308 -3.089 1.00 1.00 O ATOM 853 OD2 ASP A 54 -11.303 8.474 -4.885 1.00 1.00 O ATOM 0 H ASP A 54 -9.004 5.795 -2.627 1.00 1.00 H new ATOM 0 HA ASP A 54 -11.567 6.656 -1.442 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -10.121 8.501 -1.945 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.467 7.724 -3.373 1.00 1.00 H new ATOM 858 N ALA A 55 -11.428 5.117 -4.244 1.00 1.00 N ATOM 859 CA ALA A 55 -12.282 4.580 -5.339 1.00 1.00 C ATOM 860 C ALA A 55 -13.279 3.539 -4.828 1.00 1.00 C ATOM 861 O ALA A 55 -14.031 2.978 -5.601 1.00 1.00 O ATOM 862 CB ALA A 55 -11.373 3.918 -6.384 1.00 1.00 C ATOM 0 H ALA A 55 -10.493 4.715 -4.178 1.00 1.00 H new ATOM 0 HA ALA A 55 -12.848 5.407 -5.767 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -11.982 3.518 -7.195 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -10.678 4.657 -6.782 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -10.813 3.108 -5.918 1.00 1.00 H new ATOM 868 N GLN A 56 -13.275 3.295 -3.542 1.00 1.00 N ATOM 869 CA GLN A 56 -14.227 2.289 -2.994 1.00 1.00 C ATOM 870 C GLN A 56 -14.677 2.654 -1.579 1.00 1.00 C ATOM 871 O GLN A 56 -15.297 1.860 -0.901 1.00 1.00 O ATOM 872 CB GLN A 56 -13.519 0.926 -2.950 1.00 1.00 C ATOM 873 CG GLN A 56 -13.954 0.087 -4.159 1.00 1.00 C ATOM 874 CD GLN A 56 -15.363 -0.468 -3.922 1.00 1.00 C ATOM 875 OE1 GLN A 56 -16.056 -0.030 -2.907 1.00 1.00 O flip ATOM 876 NE2 GLN A 56 -15.844 -1.305 -4.658 1.00 1.00 N flip ATOM 0 H GLN A 56 -12.663 3.742 -2.859 1.00 1.00 H new ATOM 0 HA GLN A 56 -15.108 2.259 -3.635 1.00 1.00 H new ATOM 0 HB2 GLN A 56 -12.438 1.065 -2.960 1.00 1.00 H new ATOM 0 HB3 GLN A 56 -13.765 0.405 -2.025 1.00 1.00 H new ATOM 0 HG2 GLN A 56 -13.940 0.698 -5.062 1.00 1.00 H new ATOM 0 HG3 GLN A 56 -13.252 -0.732 -4.317 1.00 1.00 H new ATOM 0 HE21 GLN A 56 -15.309 -1.653 -5.454 1.00 1.00 H new ATOM 0 HE22 GLN A 56 -16.783 -1.661 -4.481 1.00 1.00 H new ATOM 885 N ALA A 57 -14.352 3.844 -1.156 1.00 1.00 N ATOM 886 CA ALA A 57 -14.761 4.271 0.209 1.00 1.00 C ATOM 887 C ALA A 57 -16.141 4.934 0.159 1.00 1.00 C ATOM 888 O ALA A 57 -16.604 5.306 -0.902 1.00 1.00 O ATOM 889 CB ALA A 57 -13.734 5.296 0.711 1.00 1.00 C ATOM 0 H ALA A 57 -13.825 4.534 -1.692 1.00 1.00 H new ATOM 0 HA ALA A 57 -14.807 3.407 0.871 1.00 1.00 H new ATOM 0 HB1 ALA A 57 -14.010 5.627 1.712 1.00 1.00 H new ATOM 0 HB2 ALA A 57 -12.746 4.837 0.740 1.00 1.00 H new ATOM 0 HB3 ALA A 57 -13.716 6.153 0.038 1.00 1.00 H new