USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 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 31 ASN : amide:sc= -0.876 K(o=-0.39,f=-3.1!) USER MOD Set 1.2: A 36 THR OG1 : rot -161:sc= 0.484 USER MOD Set 2.1: A 14 ASN : amide:sc= -3.27! C(o=-6.3!,f=-9.1!) USER MOD Set 2.2: A 18 HIS : no HD1:sc= -3.04! K(o=-6.3!,f=-3.7) USER MOD Set 3.1: A 6 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 10 GLN : amide:sc= -2.37! K(o=-2.4!,f=-0.16) USER MOD Single : A 1 LYS N :NH3+ -115:sc= -0.0206 (180deg=-0.41) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -1.99! K(o=-2!,f=-0.76) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : A 9 THR OG1 : rot 98:sc= 0.764 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.03 K(o=-1,f=-1.6) USER MOD Single : A 28 SER OG : rot 70:sc= 0.874 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.119 USER MOD Single : A 34 SER OG : rot 180:sc= -0.217 USER MOD Single : A 35 ASN : amide:sc=-0.00487 X(o=-0.0049,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.850 -23.136 2.331 1.00 0.00 N ATOM 2 CA LYS A 1 -12.834 -22.139 1.891 1.00 0.00 C ATOM 3 C LYS A 1 -12.398 -22.436 0.449 1.00 0.00 C ATOM 4 O LYS A 1 -12.763 -23.444 -0.123 1.00 0.00 O ATOM 5 CB LYS A 1 -11.677 -22.284 2.899 1.00 0.00 C ATOM 6 CG LYS A 1 -10.565 -23.199 2.359 1.00 0.00 C ATOM 7 CD LYS A 1 -11.008 -24.663 2.443 1.00 0.00 C ATOM 8 CE LYS A 1 -9.787 -25.547 2.727 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.203 -26.933 2.366 1.00 0.00 N ATOM 0 H1 LYS A 1 -14.757 -22.656 2.499 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.971 -23.857 1.592 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.532 -23.591 3.210 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.211 -21.116 1.880 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -11.263 -21.301 3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.059 -22.689 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -10.337 -22.938 1.326 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.651 -23.053 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -11.751 -24.785 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.481 -24.966 1.509 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -8.927 -25.229 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -9.494 -25.486 3.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.413 -27.588 2.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.018 -27.214 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.468 -26.965 1.361 1.00 0.00 H new ATOM 25 N CYS A 2 -11.626 -21.564 -0.141 1.00 0.00 N ATOM 26 CA CYS A 2 -11.175 -21.798 -1.544 1.00 0.00 C ATOM 27 C CYS A 2 -10.716 -23.247 -1.723 1.00 0.00 C ATOM 28 O CYS A 2 -11.340 -24.024 -2.416 1.00 0.00 O ATOM 29 CB CYS A 2 -10.001 -20.837 -1.749 1.00 0.00 C ATOM 30 SG CYS A 2 -9.104 -21.286 -3.258 1.00 0.00 S ATOM 0 H CYS A 2 -11.288 -20.701 0.286 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.975 -21.628 -2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -10.365 -19.812 -1.822 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.331 -20.877 -0.890 1.00 0.00 H new ATOM 35 N ASN A 3 -9.624 -23.608 -1.109 1.00 0.00 N ATOM 36 CA ASN A 3 -9.107 -25.000 -1.245 1.00 0.00 C ATOM 37 C ASN A 3 -7.720 -25.078 -0.613 1.00 0.00 C ATOM 38 O ASN A 3 -7.283 -26.116 -0.160 1.00 0.00 O ATOM 39 CB ASN A 3 -9.034 -25.255 -2.754 1.00 0.00 C ATOM 40 CG ASN A 3 -8.113 -26.445 -3.033 1.00 0.00 C ATOM 41 OD1 ASN A 3 -7.434 -26.478 -4.041 1.00 0.00 O ATOM 42 ND2 ASN A 3 -8.059 -27.430 -2.179 1.00 0.00 N ATOM 0 H ASN A 3 -9.064 -22.996 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.737 -25.739 -0.750 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.031 -25.454 -3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.662 -24.367 -3.265 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -7.448 -28.227 -2.357 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.628 -27.403 -1.333 1.00 0.00 H new ATOM 49 N THR A 4 -7.031 -23.973 -0.578 1.00 0.00 N ATOM 50 CA THR A 4 -5.676 -23.946 0.023 1.00 0.00 C ATOM 51 C THR A 4 -5.529 -22.694 0.882 1.00 0.00 C ATOM 52 O THR A 4 -5.660 -21.587 0.404 1.00 0.00 O ATOM 53 CB THR A 4 -4.725 -23.921 -1.176 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.238 -24.769 -2.196 1.00 0.00 O ATOM 55 CG2 THR A 4 -3.345 -24.419 -0.748 1.00 0.00 C ATOM 0 H THR A 4 -7.356 -23.079 -0.945 1.00 0.00 H new ATOM 0 HA THR A 4 -5.472 -24.797 0.673 1.00 0.00 H new ATOM 0 HB THR A 4 -4.639 -22.902 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.634 -24.756 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.670 -24.400 -1.604 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.953 -23.773 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 4 -3.427 -25.439 -0.373 1.00 0.00 H new ATOM 63 N ALA A 5 -5.264 -22.863 2.153 1.00 0.00 N ATOM 64 CA ALA A 5 -5.106 -21.684 3.054 1.00 0.00 C ATOM 65 C ALA A 5 -4.342 -20.576 2.327 1.00 0.00 C ATOM 66 O ALA A 5 -4.486 -19.408 2.621 1.00 0.00 O ATOM 67 CB ALA A 5 -4.302 -22.196 4.251 1.00 0.00 C ATOM 0 H ALA A 5 -5.150 -23.770 2.605 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.064 -21.267 3.363 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.146 -21.382 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.850 -23.002 4.739 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.337 -22.569 3.908 1.00 0.00 H new ATOM 73 N THR A 6 -3.541 -20.939 1.364 1.00 0.00 N ATOM 74 CA THR A 6 -2.779 -19.914 0.596 1.00 0.00 C ATOM 75 C THR A 6 -3.728 -19.173 -0.349 1.00 0.00 C ATOM 76 O THR A 6 -3.644 -17.972 -0.520 1.00 0.00 O ATOM 77 CB THR A 6 -1.755 -20.708 -0.215 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.932 -19.808 -0.948 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.495 -21.634 -1.181 1.00 0.00 C ATOM 0 H THR A 6 -3.381 -21.904 1.075 1.00 0.00 H new ATOM 0 HA THR A 6 -2.307 -19.175 1.243 1.00 0.00 H new ATOM 0 HB THR A 6 -1.131 -21.301 0.454 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.274 -20.316 -1.467 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.772 -22.205 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.127 -22.319 -0.616 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.114 -21.039 -1.853 1.00 0.00 H new ATOM 87 N CYS A 7 -4.632 -19.890 -0.961 1.00 0.00 N ATOM 88 CA CYS A 7 -5.595 -19.250 -1.898 1.00 0.00 C ATOM 89 C CYS A 7 -6.615 -18.428 -1.114 1.00 0.00 C ATOM 90 O CYS A 7 -6.797 -17.253 -1.355 1.00 0.00 O ATOM 91 CB CYS A 7 -6.275 -20.411 -2.625 1.00 0.00 C ATOM 92 SG CYS A 7 -7.748 -19.807 -3.489 1.00 0.00 S ATOM 0 H CYS A 7 -4.744 -20.898 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.108 -18.569 -2.596 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.584 -20.863 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.552 -21.188 -1.912 1.00 0.00 H new ATOM 97 N ALA A 8 -7.274 -19.034 -0.171 1.00 0.00 N ATOM 98 CA ALA A 8 -8.273 -18.277 0.637 1.00 0.00 C ATOM 99 C ALA A 8 -7.589 -17.080 1.296 1.00 0.00 C ATOM 100 O ALA A 8 -8.159 -16.014 1.416 1.00 0.00 O ATOM 101 CB ALA A 8 -8.770 -19.264 1.693 1.00 0.00 C ATOM 0 H ALA A 8 -7.167 -20.018 0.077 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.096 -17.893 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.510 -18.776 2.327 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.224 -20.125 1.202 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -7.931 -19.596 2.304 1.00 0.00 H new ATOM 107 N THR A 9 -6.364 -17.246 1.711 1.00 0.00 N ATOM 108 CA THR A 9 -5.635 -16.115 2.346 1.00 0.00 C ATOM 109 C THR A 9 -5.244 -15.099 1.275 1.00 0.00 C ATOM 110 O THR A 9 -5.369 -13.904 1.461 1.00 0.00 O ATOM 111 CB THR A 9 -4.389 -16.743 2.970 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.775 -17.599 4.035 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.474 -15.644 3.510 1.00 0.00 C ATOM 0 H THR A 9 -5.837 -18.116 1.638 1.00 0.00 H new ATOM 0 HA THR A 9 -6.236 -15.592 3.090 1.00 0.00 H new ATOM 0 HB THR A 9 -3.856 -17.318 2.212 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.802 -18.525 3.717 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.587 -16.095 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.176 -14.985 2.694 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.006 -15.067 4.267 1.00 0.00 H new ATOM 121 N GLN A 10 -4.769 -15.567 0.149 1.00 0.00 N ATOM 122 CA GLN A 10 -4.370 -14.633 -0.931 1.00 0.00 C ATOM 123 C GLN A 10 -5.594 -14.218 -1.762 1.00 0.00 C ATOM 124 O GLN A 10 -5.508 -13.364 -2.621 1.00 0.00 O ATOM 125 CB GLN A 10 -3.357 -15.414 -1.783 1.00 0.00 C ATOM 126 CG GLN A 10 -4.074 -16.162 -2.913 1.00 0.00 C ATOM 127 CD GLN A 10 -3.063 -16.987 -3.708 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.516 -16.520 -4.687 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.792 -18.202 -3.326 1.00 0.00 N ATOM 0 H GLN A 10 -4.643 -16.557 -0.063 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.938 -13.711 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.620 -14.729 -2.202 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.814 -16.122 -1.157 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.844 -16.813 -2.500 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.576 -15.452 -3.571 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.252 -18.593 -2.504 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.120 -18.763 -3.849 1.00 0.00 H new ATOM 138 N ARG A 11 -6.735 -14.793 -1.494 1.00 0.00 N ATOM 139 CA ARG A 11 -7.955 -14.406 -2.255 1.00 0.00 C ATOM 140 C ARG A 11 -8.589 -13.281 -1.484 1.00 0.00 C ATOM 141 O ARG A 11 -8.846 -12.205 -1.985 1.00 0.00 O ATOM 142 CB ARG A 11 -8.852 -15.644 -2.253 1.00 0.00 C ATOM 143 CG ARG A 11 -10.062 -15.402 -3.158 1.00 0.00 C ATOM 144 CD ARG A 11 -10.106 -16.475 -4.248 1.00 0.00 C ATOM 145 NE ARG A 11 -9.075 -16.056 -5.237 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.248 -16.307 -6.505 1.00 0.00 C ATOM 147 NH1 ARG A 11 -10.006 -15.527 -7.227 1.00 0.00 N ATOM 148 NH2 ARG A 11 -8.661 -17.336 -7.051 1.00 0.00 N ATOM 0 H ARG A 11 -6.874 -15.511 -0.783 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.766 -14.085 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.292 -16.512 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.182 -15.865 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.980 -15.427 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.000 -14.412 -3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.885 -17.462 -3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.093 -16.533 -4.706 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.233 -15.573 -4.923 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.463 -14.721 -6.799 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.141 -15.723 -8.219 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.067 -17.943 -6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.796 -17.533 -8.043 1.00 0.00 H new ATOM 162 N LEU A 12 -8.778 -13.527 -0.234 1.00 0.00 N ATOM 163 CA LEU A 12 -9.321 -12.491 0.653 1.00 0.00 C ATOM 164 C LEU A 12 -8.325 -11.343 0.701 1.00 0.00 C ATOM 165 O LEU A 12 -8.667 -10.194 0.496 1.00 0.00 O ATOM 166 CB LEU A 12 -9.416 -13.203 1.993 1.00 0.00 C ATOM 167 CG LEU A 12 -10.807 -13.814 2.162 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.880 -14.545 3.503 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.861 -12.706 2.128 1.00 0.00 C ATOM 0 H LEU A 12 -8.575 -14.419 0.218 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.280 -12.074 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.657 -13.983 2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.217 -12.501 2.802 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.996 -14.518 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.871 -14.982 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.130 -15.335 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.691 -13.840 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.852 -13.143 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.674 -12.001 2.938 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.809 -12.183 1.173 1.00 0.00 H new ATOM 181 N ALA A 13 -7.084 -11.653 0.933 1.00 0.00 N ATOM 182 CA ALA A 13 -6.055 -10.586 0.950 1.00 0.00 C ATOM 183 C ALA A 13 -6.011 -9.951 -0.435 1.00 0.00 C ATOM 184 O ALA A 13 -5.587 -8.825 -0.607 1.00 0.00 O ATOM 185 CB ALA A 13 -4.737 -11.294 1.268 1.00 0.00 C ATOM 0 H ALA A 13 -6.739 -12.596 1.111 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.256 -9.801 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.929 -10.563 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.814 -11.788 2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.528 -12.036 0.498 1.00 0.00 H new ATOM 191 N ASN A 14 -6.475 -10.668 -1.424 1.00 0.00 N ATOM 192 CA ASN A 14 -6.494 -10.109 -2.796 1.00 0.00 C ATOM 193 C ASN A 14 -7.269 -8.804 -2.770 1.00 0.00 C ATOM 194 O ASN A 14 -6.744 -7.760 -3.075 1.00 0.00 O ATOM 195 CB ASN A 14 -7.224 -11.142 -3.657 1.00 0.00 C ATOM 196 CG ASN A 14 -6.729 -11.047 -5.101 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.030 -10.098 -5.797 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.974 -11.996 -5.583 1.00 0.00 N ATOM 0 H ASN A 14 -6.840 -11.616 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.495 -9.912 -3.186 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.049 -12.145 -3.267 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.299 -10.968 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.637 -11.941 -6.544 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.721 -12.793 -4.999 1.00 0.00 H new ATOM 205 N PHE A 15 -8.511 -8.843 -2.377 1.00 0.00 N ATOM 206 CA PHE A 15 -9.283 -7.570 -2.321 1.00 0.00 C ATOM 207 C PHE A 15 -8.539 -6.607 -1.404 1.00 0.00 C ATOM 208 O PHE A 15 -8.680 -5.405 -1.497 1.00 0.00 O ATOM 209 CB PHE A 15 -10.665 -7.904 -1.741 1.00 0.00 C ATOM 210 CG PHE A 15 -11.120 -9.261 -2.216 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.798 -9.692 -3.507 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.851 -10.092 -1.360 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.209 -10.955 -3.944 1.00 0.00 C ATOM 214 CE2 PHE A 15 -12.262 -11.356 -1.795 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.941 -11.789 -3.088 1.00 0.00 C ATOM 0 H PHE A 15 -9.018 -9.683 -2.097 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.394 -7.111 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.623 -7.888 -0.652 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.387 -7.145 -2.043 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.232 -9.050 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.098 -9.757 -0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.962 -11.288 -4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -12.826 -11.998 -1.135 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.257 -12.765 -3.425 1.00 0.00 H new ATOM 225 N LEU A 16 -7.729 -7.134 -0.524 1.00 0.00 N ATOM 226 CA LEU A 16 -6.956 -6.247 0.390 1.00 0.00 C ATOM 227 C LEU A 16 -5.815 -5.592 -0.388 1.00 0.00 C ATOM 228 O LEU A 16 -5.531 -4.422 -0.234 1.00 0.00 O ATOM 229 CB LEU A 16 -6.404 -7.167 1.483 1.00 0.00 C ATOM 230 CG LEU A 16 -6.555 -6.497 2.854 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.188 -5.013 2.754 1.00 0.00 C ATOM 232 CD2 LEU A 16 -8.002 -6.629 3.334 1.00 0.00 C ATOM 0 H LEU A 16 -7.571 -8.134 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.567 -5.450 0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.936 -8.118 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.354 -7.387 1.290 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.888 -6.986 3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.298 -4.544 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.155 -4.915 2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.849 -4.522 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.107 -6.152 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.668 -6.145 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.263 -7.684 3.416 1.00 0.00 H new ATOM 244 N VAL A 17 -5.161 -6.342 -1.236 1.00 0.00 N ATOM 245 CA VAL A 17 -4.042 -5.769 -2.037 1.00 0.00 C ATOM 246 C VAL A 17 -4.576 -5.211 -3.361 1.00 0.00 C ATOM 247 O VAL A 17 -4.191 -4.148 -3.802 1.00 0.00 O ATOM 248 CB VAL A 17 -3.095 -6.946 -2.285 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.196 -6.649 -3.488 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.223 -7.162 -1.046 1.00 0.00 C ATOM 0 H VAL A 17 -5.355 -7.329 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.541 -4.946 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.682 -7.842 -2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.525 -7.491 -3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.813 -6.492 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.609 -5.752 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.547 -7.999 -1.218 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.642 -6.261 -0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.858 -7.379 -0.187 1.00 0.00 H new ATOM 260 N HIS A 18 -5.457 -5.932 -3.997 1.00 0.00 N ATOM 261 CA HIS A 18 -6.023 -5.469 -5.296 1.00 0.00 C ATOM 262 C HIS A 18 -6.897 -4.233 -5.098 1.00 0.00 C ATOM 263 O HIS A 18 -6.943 -3.350 -5.932 1.00 0.00 O ATOM 264 CB HIS A 18 -6.883 -6.634 -5.788 1.00 0.00 C ATOM 265 CG HIS A 18 -6.035 -7.575 -6.596 1.00 0.00 C ATOM 266 ND1 HIS A 18 -6.134 -7.667 -7.989 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.063 -8.473 -6.225 1.00 0.00 C ATOM 268 CE1 HIS A 18 -5.242 -8.592 -8.401 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.586 -9.091 -7.364 1.00 0.00 N ATOM 0 H HIS A 18 -5.812 -6.830 -3.670 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.239 -5.196 -6.002 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.322 -7.160 -4.940 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -7.709 -6.260 -6.393 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -4.729 -8.663 -5.216 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.085 -8.884 -9.429 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.858 -9.805 -7.400 1.00 0.00 H new ATOM 277 N SER A 19 -7.620 -4.177 -4.018 1.00 0.00 N ATOM 278 CA SER A 19 -8.518 -3.006 -3.802 1.00 0.00 C ATOM 279 C SER A 19 -7.822 -1.870 -3.048 1.00 0.00 C ATOM 280 O SER A 19 -7.997 -0.711 -3.365 1.00 0.00 O ATOM 281 CB SER A 19 -9.683 -3.555 -2.978 1.00 0.00 C ATOM 282 OG SER A 19 -10.881 -2.887 -3.352 1.00 0.00 O ATOM 0 H SER A 19 -7.631 -4.882 -3.281 1.00 0.00 H new ATOM 0 HA SER A 19 -8.834 -2.575 -4.752 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.785 -4.628 -3.142 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.490 -3.412 -1.915 1.00 0.00 H new ATOM 0 HG SER A 19 -11.629 -3.239 -2.826 1.00 0.00 H new ATOM 288 N SER A 20 -7.074 -2.180 -2.036 1.00 0.00 N ATOM 289 CA SER A 20 -6.416 -1.098 -1.247 1.00 0.00 C ATOM 290 C SER A 20 -5.011 -0.758 -1.757 1.00 0.00 C ATOM 291 O SER A 20 -4.629 0.393 -1.812 1.00 0.00 O ATOM 292 CB SER A 20 -6.343 -1.652 0.172 1.00 0.00 C ATOM 293 OG SER A 20 -7.233 -0.924 1.009 1.00 0.00 O ATOM 0 H SER A 20 -6.886 -3.130 -1.717 1.00 0.00 H new ATOM 0 HA SER A 20 -6.978 -0.167 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.606 -2.710 0.175 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.324 -1.576 0.552 1.00 0.00 H new ATOM 0 HG SER A 20 -7.189 -1.280 1.921 1.00 0.00 H new ATOM 299 N ASN A 21 -4.226 -1.740 -2.088 1.00 0.00 N ATOM 300 CA ASN A 21 -2.829 -1.445 -2.542 1.00 0.00 C ATOM 301 C ASN A 21 -2.724 -1.298 -4.064 1.00 0.00 C ATOM 302 O ASN A 21 -1.947 -0.507 -4.564 1.00 0.00 O ATOM 303 CB ASN A 21 -1.994 -2.631 -2.058 1.00 0.00 C ATOM 304 CG ASN A 21 -1.098 -2.182 -0.902 1.00 0.00 C ATOM 305 OD1 ASN A 21 -1.580 -1.847 0.162 1.00 0.00 O ATOM 306 ND2 ASN A 21 0.197 -2.161 -1.066 1.00 0.00 N ATOM 0 H ASN A 21 -4.481 -2.727 -2.067 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.484 -0.494 -2.137 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.647 -3.441 -1.733 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.386 -3.019 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.803 -1.864 -0.301 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.603 -2.442 -1.959 1.00 0.00 H new ATOM 313 N ASN A 22 -3.469 -2.064 -4.805 1.00 0.00 N ATOM 314 CA ASN A 22 -3.380 -1.981 -6.294 1.00 0.00 C ATOM 315 C ASN A 22 -3.763 -0.589 -6.799 1.00 0.00 C ATOM 316 O ASN A 22 -3.083 -0.012 -7.623 1.00 0.00 O ATOM 317 CB ASN A 22 -4.362 -3.032 -6.801 1.00 0.00 C ATOM 318 CG ASN A 22 -3.602 -4.093 -7.598 1.00 0.00 C ATOM 319 OD1 ASN A 22 -3.153 -5.080 -7.048 1.00 0.00 O ATOM 320 ND2 ASN A 22 -3.435 -3.930 -8.882 1.00 0.00 N ATOM 0 H ASN A 22 -4.138 -2.746 -4.448 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.365 -2.157 -6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -4.882 -3.494 -5.962 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.121 -2.564 -7.428 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.928 -4.630 -9.423 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.811 -3.102 -9.344 1.00 0.00 H new ATOM 327 N PHE A 23 -4.841 -0.043 -6.318 1.00 0.00 N ATOM 328 CA PHE A 23 -5.251 1.311 -6.787 1.00 0.00 C ATOM 329 C PHE A 23 -4.079 2.286 -6.622 1.00 0.00 C ATOM 330 O PHE A 23 -3.925 3.227 -7.376 1.00 0.00 O ATOM 331 CB PHE A 23 -6.457 1.694 -5.912 1.00 0.00 C ATOM 332 CG PHE A 23 -6.040 2.597 -4.771 1.00 0.00 C ATOM 333 CD1 PHE A 23 -5.871 3.968 -4.995 1.00 0.00 C ATOM 334 CD2 PHE A 23 -5.828 2.064 -3.495 1.00 0.00 C ATOM 335 CE1 PHE A 23 -5.488 4.807 -3.941 1.00 0.00 C ATOM 336 CE2 PHE A 23 -5.445 2.902 -2.442 1.00 0.00 C ATOM 337 CZ PHE A 23 -5.275 4.274 -2.665 1.00 0.00 C ATOM 0 H PHE A 23 -5.455 -0.470 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 23 -5.523 1.336 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -7.207 2.197 -6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -6.922 0.792 -5.514 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -6.036 4.379 -5.980 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -5.960 1.006 -3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.357 5.865 -4.113 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -5.280 2.491 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.979 4.921 -1.852 1.00 0.00 H new ATOM 347 N GLY A 24 -3.248 2.052 -5.645 1.00 0.00 N ATOM 348 CA GLY A 24 -2.076 2.947 -5.428 1.00 0.00 C ATOM 349 C GLY A 24 -0.951 2.530 -6.375 1.00 0.00 C ATOM 350 O GLY A 24 -0.173 3.344 -6.832 1.00 0.00 O ATOM 0 H GLY A 24 -3.330 1.278 -4.986 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.356 3.985 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.740 2.884 -4.393 1.00 0.00 H new ATOM 354 N ALA A 25 -0.866 1.263 -6.676 1.00 0.00 N ATOM 355 CA ALA A 25 0.199 0.784 -7.598 1.00 0.00 C ATOM 356 C ALA A 25 0.016 1.421 -8.978 1.00 0.00 C ATOM 357 O ALA A 25 0.916 1.426 -9.795 1.00 0.00 O ATOM 358 CB ALA A 25 0.004 -0.732 -7.671 1.00 0.00 C ATOM 0 H ALA A 25 -1.490 0.538 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 25 1.200 1.047 -7.255 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.754 -1.164 -8.334 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.111 -1.161 -6.675 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.992 -0.953 -8.056 1.00 0.00 H new ATOM 364 N ILE A 26 -1.139 1.974 -9.236 1.00 0.00 N ATOM 365 CA ILE A 26 -1.376 2.629 -10.556 1.00 0.00 C ATOM 366 C ILE A 26 -1.004 4.086 -10.395 1.00 0.00 C ATOM 367 O ILE A 26 -0.287 4.667 -11.186 1.00 0.00 O ATOM 368 CB ILE A 26 -2.872 2.447 -10.839 1.00 0.00 C ATOM 369 CG1 ILE A 26 -3.343 1.075 -10.325 1.00 0.00 C ATOM 370 CG2 ILE A 26 -3.117 2.532 -12.347 1.00 0.00 C ATOM 371 CD1 ILE A 26 -2.236 0.025 -10.516 1.00 0.00 C ATOM 0 H ILE A 26 -1.928 2.001 -8.591 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.793 2.215 -11.379 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.430 3.232 -10.328 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.608 1.146 -9.270 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.242 0.768 -10.860 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.180 2.403 -12.551 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.793 3.506 -12.714 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.553 1.748 -12.852 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.583 -0.941 -10.148 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.991 -0.057 -11.575 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.348 0.327 -9.961 1.00 0.00 H new ATOM 383 N LEU A 27 -1.435 4.647 -9.308 1.00 0.00 N ATOM 384 CA LEU A 27 -1.071 6.038 -8.978 1.00 0.00 C ATOM 385 C LEU A 27 0.408 6.039 -8.580 1.00 0.00 C ATOM 386 O LEU A 27 1.020 7.067 -8.378 1.00 0.00 O ATOM 387 CB LEU A 27 -1.958 6.356 -7.784 1.00 0.00 C ATOM 388 CG LEU A 27 -3.281 6.946 -8.270 1.00 0.00 C ATOM 389 CD1 LEU A 27 -4.420 6.441 -7.381 1.00 0.00 C ATOM 390 CD2 LEU A 27 -3.215 8.475 -8.201 1.00 0.00 C ATOM 0 H LEU A 27 -2.036 4.188 -8.623 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.204 6.759 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.143 5.451 -7.205 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.455 7.061 -7.122 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.461 6.638 -9.300 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.365 6.861 -7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.466 5.353 -7.432 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.241 6.749 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.159 8.896 -8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.036 8.785 -7.172 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.404 8.833 -8.835 1.00 0.00 H new ATOM 402 N SER A 28 0.969 4.860 -8.459 1.00 0.00 N ATOM 403 CA SER A 28 2.393 4.708 -8.076 1.00 0.00 C ATOM 404 C SER A 28 3.279 4.672 -9.328 1.00 0.00 C ATOM 405 O SER A 28 4.481 4.824 -9.258 1.00 0.00 O ATOM 406 CB SER A 28 2.425 3.349 -7.373 1.00 0.00 C ATOM 407 OG SER A 28 2.057 3.514 -6.010 1.00 0.00 O ATOM 0 H SER A 28 0.480 3.979 -8.616 1.00 0.00 H new ATOM 0 HA SER A 28 2.759 5.525 -7.455 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.741 2.657 -7.864 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.422 2.915 -7.442 1.00 0.00 H new ATOM 0 HG SER A 28 1.104 3.737 -5.953 1.00 0.00 H new ATOM 413 N SER A 29 2.692 4.443 -10.471 1.00 0.00 N ATOM 414 CA SER A 29 3.498 4.360 -11.722 1.00 0.00 C ATOM 415 C SER A 29 4.115 5.707 -12.076 1.00 0.00 C ATOM 416 O SER A 29 5.203 5.782 -12.612 1.00 0.00 O ATOM 417 CB SER A 29 2.512 3.913 -12.799 1.00 0.00 C ATOM 418 OG SER A 29 3.099 2.875 -13.573 1.00 0.00 O ATOM 0 H SER A 29 1.688 4.310 -10.593 1.00 0.00 H new ATOM 0 HA SER A 29 4.334 3.668 -11.617 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.588 3.561 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 29 2.249 4.755 -13.439 1.00 0.00 H new ATOM 0 HG SER A 29 2.467 2.585 -14.264 1.00 0.00 H new ATOM 424 N THR A 30 3.440 6.764 -11.765 1.00 0.00 N ATOM 425 CA THR A 30 3.991 8.117 -12.061 1.00 0.00 C ATOM 426 C THR A 30 5.470 8.146 -11.686 1.00 0.00 C ATOM 427 O THR A 30 6.345 8.163 -12.527 1.00 0.00 O ATOM 428 CB THR A 30 3.202 9.092 -11.172 1.00 0.00 C ATOM 429 OG1 THR A 30 4.030 10.197 -10.839 1.00 0.00 O ATOM 430 CG2 THR A 30 2.738 8.396 -9.884 1.00 0.00 C ATOM 0 H THR A 30 2.524 6.758 -11.316 1.00 0.00 H new ATOM 0 HA THR A 30 3.902 8.379 -13.115 1.00 0.00 H new ATOM 0 HB THR A 30 2.324 9.434 -11.719 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.530 10.822 -10.274 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.182 9.103 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.096 7.552 -10.137 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.606 8.038 -9.331 1.00 0.00 H new ATOM 438 N ASN A 31 5.739 8.127 -10.417 1.00 0.00 N ATOM 439 CA ASN A 31 7.145 8.128 -9.934 1.00 0.00 C ATOM 440 C ASN A 31 7.269 7.161 -8.752 1.00 0.00 C ATOM 441 O ASN A 31 8.289 7.096 -8.094 1.00 0.00 O ATOM 442 CB ASN A 31 7.410 9.568 -9.489 1.00 0.00 C ATOM 443 CG ASN A 31 8.789 9.660 -8.833 1.00 0.00 C ATOM 444 OD1 ASN A 31 9.686 8.912 -9.168 1.00 0.00 O ATOM 445 ND2 ASN A 31 8.998 10.554 -7.905 1.00 0.00 N ATOM 0 H ASN A 31 5.034 8.111 -9.680 1.00 0.00 H new ATOM 0 HA ASN A 31 7.858 7.809 -10.694 1.00 0.00 H new ATOM 0 HB2 ASN A 31 7.359 10.239 -10.347 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.641 9.889 -8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.914 10.624 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.245 11.182 -7.623 1.00 0.00 H new ATOM 452 N VAL A 32 6.229 6.406 -8.479 1.00 0.00 N ATOM 453 CA VAL A 32 6.271 5.439 -7.338 1.00 0.00 C ATOM 454 C VAL A 32 6.169 6.189 -6.001 1.00 0.00 C ATOM 455 O VAL A 32 6.191 5.592 -4.943 1.00 0.00 O ATOM 456 CB VAL A 32 7.613 4.690 -7.479 1.00 0.00 C ATOM 457 CG1 VAL A 32 8.593 5.092 -6.367 1.00 0.00 C ATOM 458 CG2 VAL A 32 7.353 3.185 -7.394 1.00 0.00 C ATOM 0 H VAL A 32 5.352 6.419 -9.000 1.00 0.00 H new ATOM 0 HA VAL A 32 5.435 4.739 -7.356 1.00 0.00 H new ATOM 0 HB VAL A 32 8.056 4.951 -8.440 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.529 4.548 -6.493 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.786 6.163 -6.422 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.161 4.850 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.296 2.647 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.899 2.948 -6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.679 2.886 -8.197 1.00 0.00 H new ATOM 468 N GLY A 33 6.065 7.488 -6.041 1.00 0.00 N ATOM 469 CA GLY A 33 5.967 8.264 -4.773 1.00 0.00 C ATOM 470 C GLY A 33 7.374 8.586 -4.259 1.00 0.00 C ATOM 471 O GLY A 33 7.722 9.732 -4.054 1.00 0.00 O ATOM 0 H GLY A 33 6.044 8.045 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.410 9.186 -4.941 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.418 7.691 -4.026 1.00 0.00 H new ATOM 475 N SER A 34 8.186 7.584 -4.047 1.00 0.00 N ATOM 476 CA SER A 34 9.569 7.835 -3.545 1.00 0.00 C ATOM 477 C SER A 34 10.473 6.637 -3.855 1.00 0.00 C ATOM 478 O SER A 34 10.018 5.600 -4.294 1.00 0.00 O ATOM 479 CB SER A 34 9.413 8.018 -2.036 1.00 0.00 C ATOM 480 OG SER A 34 10.384 7.229 -1.361 1.00 0.00 O ATOM 0 H SER A 34 7.951 6.603 -4.200 1.00 0.00 H new ATOM 0 HA SER A 34 10.029 8.704 -4.015 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.535 9.068 -1.772 1.00 0.00 H new ATOM 0 HB3 SER A 34 8.410 7.725 -1.725 1.00 0.00 H new ATOM 0 HG SER A 34 10.286 7.347 -0.393 1.00 0.00 H new ATOM 486 N ASN A 35 11.752 6.771 -3.630 1.00 0.00 N ATOM 487 CA ASN A 35 12.681 5.640 -3.914 1.00 0.00 C ATOM 488 C ASN A 35 12.369 5.041 -5.288 1.00 0.00 C ATOM 489 O ASN A 35 11.761 3.994 -5.396 1.00 0.00 O ATOM 490 CB ASN A 35 12.419 4.615 -2.810 1.00 0.00 C ATOM 491 CG ASN A 35 13.610 3.659 -2.715 1.00 0.00 C ATOM 492 OD1 ASN A 35 13.491 2.491 -3.028 1.00 0.00 O ATOM 493 ND2 ASN A 35 14.760 4.110 -2.297 1.00 0.00 N ATOM 0 H ASN A 35 12.193 7.614 -3.262 1.00 0.00 H new ATOM 0 HA ASN A 35 13.724 5.957 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 35 12.267 5.121 -1.857 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.507 4.058 -3.024 1.00 0.00 H new ATOM 0 HD21 ASN A 35 15.561 3.482 -2.232 1.00 0.00 H new ATOM 0 HD22 ASN A 35 14.858 5.091 -2.035 1.00 0.00 H new ATOM 500 N THR A 36 12.776 5.700 -6.338 1.00 0.00 N ATOM 501 CA THR A 36 12.498 5.170 -7.704 1.00 0.00 C ATOM 502 C THR A 36 13.800 5.032 -8.498 1.00 0.00 C ATOM 503 O THR A 36 14.023 5.730 -9.466 1.00 0.00 O ATOM 504 CB THR A 36 11.584 6.212 -8.352 1.00 0.00 C ATOM 505 OG1 THR A 36 10.783 6.825 -7.353 1.00 0.00 O ATOM 506 CG2 THR A 36 10.685 5.532 -9.384 1.00 0.00 C ATOM 0 H THR A 36 13.288 6.581 -6.310 1.00 0.00 H new ATOM 0 HA THR A 36 12.039 4.182 -7.677 1.00 0.00 H new ATOM 0 HB THR A 36 12.191 6.971 -8.846 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.005 7.248 -7.772 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.034 6.275 -9.845 1.00 0.00 H new ATOM 0 HG22 THR A 36 11.302 5.063 -10.151 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.077 4.772 -8.893 1.00 0.00 H new ATOM 514 N TYR A 37 14.660 4.136 -8.100 1.00 0.00 N ATOM 515 CA TYR A 37 15.940 3.957 -8.839 1.00 0.00 C ATOM 516 C TYR A 37 15.658 3.578 -10.295 1.00 0.00 C ATOM 517 O TYR A 37 16.535 2.998 -10.914 1.00 0.00 O ATOM 518 CB TYR A 37 16.657 2.818 -8.118 1.00 0.00 C ATOM 519 CG TYR A 37 15.864 1.544 -8.279 1.00 0.00 C ATOM 520 CD1 TYR A 37 16.096 0.707 -9.378 1.00 0.00 C ATOM 521 CD2 TYR A 37 14.896 1.196 -7.329 1.00 0.00 C ATOM 522 CE1 TYR A 37 15.362 -0.475 -9.526 1.00 0.00 C ATOM 523 CE2 TYR A 37 14.162 0.013 -7.477 1.00 0.00 C ATOM 524 CZ TYR A 37 14.395 -0.821 -8.575 1.00 0.00 C ATOM 525 OH TYR A 37 13.670 -1.986 -8.724 1.00 0.00 O ATOM 526 OXT TYR A 37 14.571 3.872 -10.762 1.00 0.00 O ATOM 0 H TYR A 37 14.532 3.521 -7.296 1.00 0.00 H new ATOM 0 HA TYR A 37 16.539 4.868 -8.857 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.660 2.689 -8.526 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.771 3.057 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 37 16.842 0.974 -10.112 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.715 1.841 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 37 15.541 -1.120 -10.373 1.00 0.00 H new ATOM 0 HE2 TYR A 37 13.416 -0.255 -6.743 1.00 0.00 H new ATOM 0 HH TYR A 37 13.042 -2.078 -7.978 1.00 0.00 H new TER 536 TYR A 37