USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 788 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 94 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 57 CYS SG : rot 156:sc= -1.34! USER MOD Set 2.2: A 60 CYS SG : rot -61:sc= 0.504 USER MOD Set 2.3: A 77 HIS : no HE2:sc= 0.106 X(o=-2.3,f=-2.5) USER MOD Set 2.4: A 86 HIS : no HD1:sc= -1.55 K(o=-2.3,f=-5.8!) USER MOD Set 3.1: A 31 CYS SG : rot -173:sc= -5.34! USER MOD Set 3.2: A 34 CYS SG : rot -16:sc= 0.558 USER MOD Set 3.3: A 65 CYS SG : rot -166:sc= 1.33 USER MOD Set 3.4: A 69 SER OG : rot -79:sc= 1.03 USER MOD Set 3.5: A 73 HIS : no HD1:sc= -1.61 X(o=-4,f=-4.1) USER MOD Set 4.1: A 7 CYS SG : rot 39:sc=-0.000479 USER MOD Set 4.2: A 9 HIS : no HD1:sc= -0.293 X(o=-0.83,f=-1.2) USER MOD Set 4.3: A 99 CYS SG : rot -141:sc= -1.23 USER MOD Set 4.4: A 102 CYS SG : rot 131:sc= 0.699 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= -1.16 K(o=-1.2,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0466 (180deg=-0.297) USER MOD Single : A 21 LYS NZ :NH3+ 176:sc= 0.951 (180deg=0.929) USER MOD Single : A 25 ASN : amide:sc= -0.379 K(o=-0.38,f=-1.7) USER MOD Single : A 29 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.3) USER MOD Single : A 32 GLN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -150:sc= 0.497 USER MOD Single : A 59 LYS NZ :NH3+ -177:sc= 0.78 (180deg=0.728) USER MOD Single : A 62 HIS : no HE2:sc= -0.494 K(o=-0.49,f=-3!) USER MOD Single : A 63 GLN : amide:sc= -1.19 K(o=-1.2,f=-9.3!) USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -3.54! C(o=-3.5!,f=-4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 39:sc= 0.209 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -1.77! USER MOD Single : A 91 SER OG : rot 5:sc= 0.919! USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -5.5! C(o=-5.5!,f=-5.9!) USER MOD Single : A 107 GLN : amide:sc= -1.07 X(o=-1.1,f=-0.61) USER MOD Single : A 108 TYR OH : rot 50:sc= -0.0431 USER MOD Single : A 112 ASN : amide:sc= -0.0954 K(o=-0.095,f=-2.5!) USER MOD Single : A 113 GLN : amide:sc= -4! K(o=-4!,f=-1.7) USER MOD Single : A 116 GLN : amide:sc= -0.181 K(o=-0.18,f=-3.4!) USER MOD Single : A 120 TYR OH : rot 1:sc= -2.54! USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0.0743 K(o=0.074,f=-0.85) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N CYS A 7 5.279 -18.531 -3.336 1.00 0.00 N ATOM 32 CA CYS A 7 4.585 -17.773 -2.373 1.00 0.00 C ATOM 33 C CYS A 7 3.199 -18.319 -2.305 1.00 0.00 C ATOM 34 O CYS A 7 2.407 -18.119 -3.211 1.00 0.00 O ATOM 35 CB CYS A 7 4.540 -16.301 -2.721 1.00 0.00 C ATOM 36 SG CYS A 7 3.734 -15.287 -1.464 1.00 0.00 S ATOM 0 HA CYS A 7 5.100 -17.848 -1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.558 -15.940 -2.870 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.016 -16.176 -3.668 1.00 0.00 H new ATOM 0 HG CYS A 7 4.058 -15.722 -0.282 1.00 0.00 H new ATOM 41 N ARG A 8 2.902 -19.038 -1.272 1.00 0.00 N ATOM 42 CA ARG A 8 1.597 -19.601 -1.137 1.00 0.00 C ATOM 43 C ARG A 8 0.874 -18.839 -0.038 1.00 0.00 C ATOM 44 O ARG A 8 -0.114 -19.281 0.517 1.00 0.00 O ATOM 45 CB ARG A 8 1.698 -21.079 -0.818 1.00 0.00 C ATOM 46 CG ARG A 8 0.588 -21.895 -1.406 1.00 0.00 C ATOM 47 CD ARG A 8 0.688 -21.885 -2.921 1.00 0.00 C ATOM 48 NE ARG A 8 -0.334 -22.708 -3.559 1.00 0.00 N ATOM 49 CZ ARG A 8 -0.181 -23.366 -4.717 1.00 0.00 C ATOM 50 NH1 ARG A 8 0.996 -23.370 -5.346 1.00 0.00 N ATOM 51 NH2 ARG A 8 -1.192 -24.039 -5.231 1.00 0.00 N ATOM 0 H ARG A 8 3.545 -19.250 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 8 1.037 -19.513 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.651 -21.458 -1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.700 -21.210 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.642 -22.919 -1.036 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.376 -21.493 -1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.599 -20.860 -3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.674 -22.242 -3.218 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.235 -22.789 -3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.790 -22.869 -4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 8 1.102 -23.874 -6.227 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.090 -24.059 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.076 -24.540 -6.112 1.00 0.00 H new ATOM 65 N HIS A 9 1.327 -17.623 0.171 1.00 0.00 N ATOM 66 CA HIS A 9 0.812 -16.736 1.219 1.00 0.00 C ATOM 67 C HIS A 9 -0.243 -15.864 0.638 1.00 0.00 C ATOM 68 O HIS A 9 -0.690 -14.952 1.263 1.00 0.00 O ATOM 69 CB HIS A 9 1.911 -15.784 1.728 1.00 0.00 C ATOM 70 CG HIS A 9 3.059 -16.429 2.399 1.00 0.00 C ATOM 71 ND1 HIS A 9 4.349 -16.217 1.972 1.00 0.00 N ATOM 72 CD2 HIS A 9 3.070 -17.216 3.490 1.00 0.00 C ATOM 73 CE1 HIS A 9 5.105 -16.891 2.823 1.00 0.00 C ATOM 74 NE2 HIS A 9 4.374 -17.506 3.754 1.00 0.00 N ATOM 0 H HIS A 9 2.074 -17.206 -0.384 1.00 0.00 H new ATOM 0 HA HIS A 9 0.441 -17.363 2.030 1.00 0.00 H new ATOM 0 HB2 HIS A 9 2.286 -15.207 0.883 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.459 -15.076 2.423 1.00 0.00 H new ATOM 0 HD2 HIS A 9 2.210 -17.553 4.049 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.183 -16.938 2.770 1.00 0.00 H new ATOM 0 HE2 HIS A 9 4.725 -18.083 4.518 1.00 0.00 H new ATOM 82 N ILE A 10 -0.633 -16.160 -0.561 1.00 0.00 N ATOM 83 CA ILE A 10 -1.537 -15.309 -1.308 1.00 0.00 C ATOM 84 C ILE A 10 -2.898 -15.340 -0.681 1.00 0.00 C ATOM 85 O ILE A 10 -3.566 -14.345 -0.552 1.00 0.00 O ATOM 86 CB ILE A 10 -1.601 -15.764 -2.750 1.00 0.00 C ATOM 87 CG1 ILE A 10 -0.170 -15.924 -3.234 1.00 0.00 C ATOM 88 CG2 ILE A 10 -2.401 -14.781 -3.595 1.00 0.00 C ATOM 89 CD1 ILE A 10 -0.008 -16.259 -4.687 1.00 0.00 C ATOM 0 H ILE A 10 -0.339 -16.999 -1.061 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.169 -14.283 -1.287 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.122 -16.717 -2.840 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.368 -14.998 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.308 -16.706 -2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.433 -15.130 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.416 -14.709 -3.205 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.927 -13.800 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.052 -16.350 -4.923 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.510 -17.203 -4.901 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.449 -15.468 -5.294 1.00 0.00 H new ATOM 101 N ARG A 11 -3.262 -16.490 -0.268 1.00 0.00 N ATOM 102 CA ARG A 11 -4.551 -16.692 0.386 1.00 0.00 C ATOM 103 C ARG A 11 -4.595 -15.976 1.754 1.00 0.00 C ATOM 104 O ARG A 11 -5.647 -15.517 2.194 1.00 0.00 O ATOM 105 CB ARG A 11 -4.848 -18.166 0.548 1.00 0.00 C ATOM 106 CG ARG A 11 -4.852 -18.947 -0.759 1.00 0.00 C ATOM 107 CD ARG A 11 -5.336 -20.387 -0.577 1.00 0.00 C ATOM 108 NE ARG A 11 -4.465 -21.198 0.292 1.00 0.00 N ATOM 109 CZ ARG A 11 -4.231 -22.520 0.132 1.00 0.00 C ATOM 110 NH1 ARG A 11 -4.751 -23.176 -0.919 1.00 0.00 N ATOM 111 NH2 ARG A 11 -3.468 -23.179 1.013 1.00 0.00 N ATOM 0 H ARG A 11 -2.697 -17.335 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.321 -16.256 -0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.108 -18.603 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.819 -18.279 1.029 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.493 -18.440 -1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.845 -18.955 -1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.342 -20.373 -0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.405 -20.864 -1.555 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.005 -20.728 1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.324 -22.677 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.573 -24.173 -1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.062 -22.684 1.807 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.293 -24.176 0.890 1.00 0.00 H new ATOM 125 N LYS A 12 -3.437 -15.867 2.389 1.00 0.00 N ATOM 126 CA LYS A 12 -3.305 -15.227 3.705 1.00 0.00 C ATOM 127 C LYS A 12 -3.031 -13.729 3.569 1.00 0.00 C ATOM 128 O LYS A 12 -3.317 -12.938 4.466 1.00 0.00 O ATOM 129 CB LYS A 12 -2.123 -15.851 4.453 1.00 0.00 C ATOM 130 CG LYS A 12 -2.239 -17.340 4.698 1.00 0.00 C ATOM 131 CD LYS A 12 -0.975 -17.882 5.345 1.00 0.00 C ATOM 132 CE LYS A 12 -1.090 -19.367 5.612 1.00 0.00 C ATOM 133 NZ LYS A 12 0.147 -19.932 6.170 1.00 0.00 N ATOM 0 H LYS A 12 -2.557 -16.218 2.012 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.241 -15.376 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.212 -15.661 3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.012 -15.347 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.096 -17.541 5.340 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.419 -17.855 3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.121 -17.692 4.695 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.788 -17.355 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.913 -19.547 6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.336 -19.883 4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.019 -20.951 6.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.929 -19.786 5.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.369 -19.460 7.070 1.00 0.00 H new ATOM 147 N GLY A 13 -2.477 -13.367 2.448 1.00 0.00 N ATOM 148 CA GLY A 13 -2.013 -12.031 2.206 1.00 0.00 C ATOM 149 C GLY A 13 -2.926 -11.234 1.362 1.00 0.00 C ATOM 150 O GLY A 13 -2.702 -10.059 1.170 1.00 0.00 O ATOM 0 H GLY A 13 -2.332 -14.002 1.663 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.878 -11.523 3.161 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.035 -12.076 1.727 1.00 0.00 H new ATOM 154 N LEU A 14 -3.921 -11.861 0.830 1.00 0.00 N ATOM 155 CA LEU A 14 -4.848 -11.200 -0.018 1.00 0.00 C ATOM 156 C LEU A 14 -6.250 -11.608 0.419 1.00 0.00 C ATOM 157 O LEU A 14 -6.546 -12.805 0.494 1.00 0.00 O ATOM 158 CB LEU A 14 -4.516 -11.638 -1.440 1.00 0.00 C ATOM 159 CG LEU A 14 -4.986 -10.803 -2.604 1.00 0.00 C ATOM 160 CD1 LEU A 14 -4.255 -11.244 -3.832 1.00 0.00 C ATOM 161 CD2 LEU A 14 -6.459 -10.930 -2.847 1.00 0.00 C ATOM 0 H LEU A 14 -4.113 -12.852 0.974 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.796 -10.112 0.034 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.431 -11.717 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.919 -12.642 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.782 -9.759 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.584 -10.649 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.183 -11.108 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.464 -12.297 -4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.743 -10.308 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.704 -11.970 -3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.003 -10.604 -1.961 1.00 0.00 H new ATOM 173 N GLU A 15 -7.097 -10.637 0.725 1.00 0.00 N ATOM 174 CA GLU A 15 -8.442 -10.941 1.194 1.00 0.00 C ATOM 175 C GLU A 15 -9.423 -10.169 0.323 1.00 0.00 C ATOM 176 O GLU A 15 -9.773 -9.038 0.642 1.00 0.00 O ATOM 177 CB GLU A 15 -8.602 -10.579 2.668 1.00 0.00 C ATOM 178 CG GLU A 15 -9.693 -11.311 3.383 1.00 0.00 C ATOM 179 CD GLU A 15 -11.068 -10.936 2.917 1.00 0.00 C ATOM 180 OE1 GLU A 15 -11.566 -9.865 3.326 1.00 0.00 O ATOM 181 OE2 GLU A 15 -11.663 -11.691 2.135 1.00 0.00 O ATOM 0 H GLU A 15 -6.881 -9.642 0.658 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.637 -12.010 1.114 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.659 -10.773 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.792 -9.508 2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.551 -12.383 3.246 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.613 -11.113 4.452 1.00 0.00 H new ATOM 188 N GLN A 16 -9.869 -10.787 -0.749 1.00 0.00 N ATOM 189 CA GLN A 16 -10.676 -10.117 -1.773 1.00 0.00 C ATOM 190 C GLN A 16 -11.919 -9.408 -1.221 1.00 0.00 C ATOM 191 O GLN A 16 -12.282 -8.331 -1.695 1.00 0.00 O ATOM 192 CB GLN A 16 -11.103 -11.100 -2.854 1.00 0.00 C ATOM 193 CG GLN A 16 -9.950 -11.817 -3.530 1.00 0.00 C ATOM 194 CD GLN A 16 -10.402 -12.738 -4.637 1.00 0.00 C ATOM 195 OE1 GLN A 16 -10.661 -13.918 -4.418 1.00 0.00 O ATOM 196 NE2 GLN A 16 -10.510 -12.210 -5.823 1.00 0.00 N ATOM 0 H GLN A 16 -9.687 -11.771 -0.945 1.00 0.00 H new ATOM 0 HA GLN A 16 -10.027 -9.348 -2.191 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.769 -11.841 -2.413 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -11.677 -10.565 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -9.258 -11.080 -3.937 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.400 -12.393 -2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -10.286 -11.225 -5.965 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -10.819 -12.781 -6.609 1.00 0.00 H new ATOM 205 N GLY A 17 -12.522 -9.991 -0.191 1.00 0.00 N ATOM 206 CA GLY A 17 -13.750 -9.473 0.373 1.00 0.00 C ATOM 207 C GLY A 17 -13.629 -8.056 0.877 1.00 0.00 C ATOM 208 O GLY A 17 -14.437 -7.184 0.508 1.00 0.00 O ATOM 0 H GLY A 17 -12.171 -10.831 0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -14.534 -9.516 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.063 -10.117 1.195 1.00 0.00 H new ATOM 212 N ASN A 18 -12.620 -7.791 1.679 1.00 0.00 N ATOM 213 CA ASN A 18 -12.463 -6.451 2.236 1.00 0.00 C ATOM 214 C ASN A 18 -11.796 -5.496 1.229 1.00 0.00 C ATOM 215 O ASN A 18 -11.913 -4.277 1.356 1.00 0.00 O ATOM 216 CB ASN A 18 -11.731 -6.444 3.610 1.00 0.00 C ATOM 217 CG ASN A 18 -10.238 -6.485 3.577 1.00 0.00 C ATOM 218 OD1 ASN A 18 -9.580 -5.866 4.412 1.00 0.00 O ATOM 219 ND2 ASN A 18 -9.689 -7.261 2.738 1.00 0.00 N ATOM 0 H ASN A 18 -11.907 -8.464 1.959 1.00 0.00 H new ATOM 0 HA ASN A 18 -13.469 -6.080 2.430 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -12.035 -5.548 4.152 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -12.082 -7.300 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.677 -7.385 2.744 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.260 -7.762 2.057 1.00 0.00 H new ATOM 226 N LEU A 19 -11.152 -6.067 0.199 1.00 0.00 N ATOM 227 CA LEU A 19 -10.473 -5.282 -0.861 1.00 0.00 C ATOM 228 C LEU A 19 -11.433 -4.357 -1.533 1.00 0.00 C ATOM 229 O LEU A 19 -11.212 -3.150 -1.557 1.00 0.00 O ATOM 230 CB LEU A 19 -9.829 -6.193 -1.915 1.00 0.00 C ATOM 231 CG LEU A 19 -8.380 -6.653 -1.698 1.00 0.00 C ATOM 232 CD1 LEU A 19 -7.402 -5.664 -2.269 1.00 0.00 C ATOM 233 CD2 LEU A 19 -8.062 -6.832 -0.252 1.00 0.00 C ATOM 0 H LEU A 19 -11.083 -7.077 0.072 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.688 -4.702 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.450 -7.084 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.872 -5.674 -2.873 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.289 -7.610 -2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.385 -6.018 -2.099 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.575 -5.558 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.535 -4.698 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.027 -7.158 -0.145 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.201 -5.886 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.725 -7.584 0.176 1.00 0.00 H new ATOM 245 N LYS A 20 -12.550 -4.906 -2.005 1.00 0.00 N ATOM 246 CA LYS A 20 -13.568 -4.110 -2.693 1.00 0.00 C ATOM 247 C LYS A 20 -14.016 -2.941 -1.815 1.00 0.00 C ATOM 248 O LYS A 20 -14.105 -1.798 -2.277 1.00 0.00 O ATOM 249 CB LYS A 20 -14.813 -4.941 -3.064 1.00 0.00 C ATOM 250 CG LYS A 20 -14.690 -5.879 -4.263 1.00 0.00 C ATOM 251 CD LYS A 20 -13.702 -7.003 -4.066 1.00 0.00 C ATOM 252 CE LYS A 20 -13.692 -7.945 -5.264 1.00 0.00 C ATOM 253 NZ LYS A 20 -15.005 -8.611 -5.476 1.00 0.00 N ATOM 0 H LYS A 20 -12.775 -5.898 -1.925 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.106 -3.747 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.093 -5.537 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.635 -4.252 -3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -15.670 -6.304 -4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.394 -5.298 -5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.704 -6.591 -3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.956 -7.560 -3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.423 -7.385 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -12.923 -8.703 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.886 -9.415 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -15.372 -8.953 -4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -15.677 -7.932 -5.887 1.00 0.00 H new ATOM 267 N LYS A 21 -14.127 -3.208 -0.526 1.00 0.00 N ATOM 268 CA LYS A 21 -14.703 -2.270 0.411 1.00 0.00 C ATOM 269 C LYS A 21 -13.732 -1.125 0.676 1.00 0.00 C ATOM 270 O LYS A 21 -14.141 0.028 0.882 1.00 0.00 O ATOM 271 CB LYS A 21 -14.999 -2.980 1.715 1.00 0.00 C ATOM 272 CG LYS A 21 -15.687 -4.329 1.568 1.00 0.00 C ATOM 273 CD LYS A 21 -17.094 -4.220 1.010 1.00 0.00 C ATOM 274 CE LYS A 21 -17.850 -5.545 1.133 1.00 0.00 C ATOM 275 NZ LYS A 21 -17.167 -6.668 0.450 1.00 0.00 N ATOM 0 H LYS A 21 -13.819 -4.083 -0.102 1.00 0.00 H new ATOM 0 HA LYS A 21 -15.623 -1.868 -0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.063 -3.123 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -15.626 -2.334 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.091 -4.965 0.914 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.725 -4.819 2.541 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -17.638 -3.439 1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.049 -3.921 -0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.973 -5.790 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -18.849 -5.427 0.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.690 -7.550 0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.132 -6.483 -0.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.199 -6.761 0.818 1.00 0.00 H new ATOM 289 N ALA A 22 -12.465 -1.434 0.662 1.00 0.00 N ATOM 290 CA ALA A 22 -11.445 -0.458 0.945 1.00 0.00 C ATOM 291 C ALA A 22 -11.172 0.410 -0.259 1.00 0.00 C ATOM 292 O ALA A 22 -10.989 1.625 -0.134 1.00 0.00 O ATOM 293 CB ALA A 22 -10.182 -1.153 1.372 1.00 0.00 C ATOM 0 H ALA A 22 -12.109 -2.367 0.455 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.800 0.184 1.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.413 -0.411 1.585 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.376 -1.742 2.268 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.840 -1.810 0.573 1.00 0.00 H new ATOM 299 N LEU A 23 -11.208 -0.192 -1.441 1.00 0.00 N ATOM 300 CA LEU A 23 -10.870 0.523 -2.664 1.00 0.00 C ATOM 301 C LEU A 23 -12.029 1.421 -3.093 1.00 0.00 C ATOM 302 O LEU A 23 -11.919 2.183 -4.044 1.00 0.00 O ATOM 303 CB LEU A 23 -10.489 -0.427 -3.799 1.00 0.00 C ATOM 304 CG LEU A 23 -9.623 -1.648 -3.429 1.00 0.00 C ATOM 305 CD1 LEU A 23 -9.226 -2.424 -4.647 1.00 0.00 C ATOM 306 CD2 LEU A 23 -8.408 -1.327 -2.549 1.00 0.00 C ATOM 0 H LEU A 23 -11.467 -1.169 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.998 1.140 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.408 -0.790 -4.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -9.958 0.148 -4.558 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.264 -2.273 -2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.616 -3.278 -4.352 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.120 -2.777 -5.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.652 -1.783 -5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.858 -2.244 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.757 -0.625 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.744 -0.883 -1.612 1.00 0.00 H new ATOM 318 N VAL A 24 -13.131 1.304 -2.387 1.00 0.00 N ATOM 319 CA VAL A 24 -14.293 2.178 -2.592 1.00 0.00 C ATOM 320 C VAL A 24 -13.934 3.641 -2.302 1.00 0.00 C ATOM 321 O VAL A 24 -14.077 4.507 -3.151 1.00 0.00 O ATOM 322 CB VAL A 24 -15.505 1.771 -1.682 1.00 0.00 C ATOM 323 CG1 VAL A 24 -16.593 2.841 -1.683 1.00 0.00 C ATOM 324 CG2 VAL A 24 -16.102 0.466 -2.139 1.00 0.00 C ATOM 0 H VAL A 24 -13.260 0.607 -1.654 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.584 2.064 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.119 1.663 -0.669 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.416 2.524 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -16.182 3.778 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -16.960 2.986 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -16.940 0.204 -1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.452 0.566 -3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -15.346 -0.318 -2.088 1.00 0.00 H new ATOM 334 N ASN A 25 -13.423 3.885 -1.123 1.00 0.00 N ATOM 335 CA ASN A 25 -13.178 5.252 -0.664 1.00 0.00 C ATOM 336 C ASN A 25 -11.717 5.566 -0.671 1.00 0.00 C ATOM 337 O ASN A 25 -11.274 6.557 -0.075 1.00 0.00 O ATOM 338 CB ASN A 25 -13.743 5.442 0.746 1.00 0.00 C ATOM 339 CG ASN A 25 -15.257 5.400 0.788 1.00 0.00 C ATOM 340 OD1 ASN A 25 -15.932 5.831 -0.143 1.00 0.00 O ATOM 341 ND2 ASN A 25 -15.797 4.842 1.831 1.00 0.00 N ATOM 0 H ASN A 25 -13.164 3.161 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.680 5.935 -1.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.345 4.665 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -13.400 6.398 1.143 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.811 4.752 1.893 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -15.207 4.495 2.587 1.00 0.00 H new ATOM 348 N VAL A 26 -10.971 4.748 -1.350 1.00 0.00 N ATOM 349 CA VAL A 26 -9.567 4.880 -1.408 1.00 0.00 C ATOM 350 C VAL A 26 -9.159 5.998 -2.365 1.00 0.00 C ATOM 351 O VAL A 26 -9.866 6.306 -3.346 1.00 0.00 O ATOM 352 CB VAL A 26 -8.981 3.548 -1.849 1.00 0.00 C ATOM 353 CG1 VAL A 26 -8.928 3.321 -3.309 1.00 0.00 C ATOM 354 CG2 VAL A 26 -7.760 3.158 -1.143 1.00 0.00 C ATOM 0 H VAL A 26 -11.338 3.960 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.182 5.147 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.737 2.837 -1.514 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.493 2.342 -3.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.937 3.361 -3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.315 4.093 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.412 2.197 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.990 3.912 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.967 3.075 -0.076 1.00 0.00 H new ATOM 364 N GLU A 27 -8.066 6.597 -2.056 1.00 0.00 N ATOM 365 CA GLU A 27 -7.498 7.642 -2.840 1.00 0.00 C ATOM 366 C GLU A 27 -6.358 7.049 -3.593 1.00 0.00 C ATOM 367 O GLU A 27 -5.345 6.745 -3.021 1.00 0.00 O ATOM 368 CB GLU A 27 -6.957 8.691 -1.934 1.00 0.00 C ATOM 369 CG GLU A 27 -6.735 9.983 -2.593 1.00 0.00 C ATOM 370 CD GLU A 27 -8.021 10.609 -3.040 1.00 0.00 C ATOM 371 OE1 GLU A 27 -8.743 11.200 -2.191 1.00 0.00 O ATOM 372 OE2 GLU A 27 -8.353 10.511 -4.232 1.00 0.00 O ATOM 0 H GLU A 27 -7.522 6.368 -1.224 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.243 8.077 -3.507 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.647 8.831 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.015 8.342 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.222 10.657 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.080 9.844 -3.453 1.00 0.00 H new ATOM 379 N TRP A 28 -6.509 6.893 -4.832 1.00 0.00 N ATOM 380 CA TRP A 28 -5.550 6.167 -5.608 1.00 0.00 C ATOM 381 C TRP A 28 -4.219 6.816 -5.796 1.00 0.00 C ATOM 382 O TRP A 28 -4.104 7.992 -6.177 1.00 0.00 O ATOM 383 CB TRP A 28 -6.139 5.641 -6.861 1.00 0.00 C ATOM 384 CG TRP A 28 -6.881 4.399 -6.613 1.00 0.00 C ATOM 385 CD1 TRP A 28 -8.190 4.192 -6.767 1.00 0.00 C ATOM 386 CD2 TRP A 28 -6.332 3.182 -6.127 1.00 0.00 C ATOM 387 NE1 TRP A 28 -8.506 2.910 -6.432 1.00 0.00 N ATOM 388 CE2 TRP A 28 -7.372 2.270 -6.041 1.00 0.00 C ATOM 389 CE3 TRP A 28 -5.051 2.777 -5.770 1.00 0.00 C ATOM 390 CZ2 TRP A 28 -7.183 0.984 -5.619 1.00 0.00 C ATOM 391 CZ3 TRP A 28 -4.868 1.494 -5.339 1.00 0.00 C ATOM 392 CH2 TRP A 28 -5.928 0.614 -5.273 1.00 0.00 C ATOM 0 H TRP A 28 -7.299 7.258 -5.364 1.00 0.00 H new ATOM 0 HA TRP A 28 -5.294 5.312 -4.982 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -6.806 6.387 -7.295 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -5.349 5.458 -7.589 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -8.897 4.934 -7.108 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.439 2.499 -6.468 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.218 3.462 -5.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.006 0.287 -5.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.882 1.165 -5.046 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.752 -0.397 -4.936 1.00 0.00 H new ATOM 403 N ASN A 29 -3.204 6.008 -5.469 1.00 0.00 N ATOM 404 CA ASN A 29 -1.799 6.356 -5.515 1.00 0.00 C ATOM 405 C ASN A 29 -1.496 7.404 -4.473 1.00 0.00 C ATOM 406 O ASN A 29 -0.517 8.129 -4.525 1.00 0.00 O ATOM 407 CB ASN A 29 -1.396 6.754 -6.912 1.00 0.00 C ATOM 408 CG ASN A 29 0.082 6.723 -7.127 1.00 0.00 C ATOM 409 OD1 ASN A 29 0.790 7.718 -6.951 1.00 0.00 O ATOM 410 ND2 ASN A 29 0.562 5.601 -7.525 1.00 0.00 N ATOM 0 H ASN A 29 -3.359 5.051 -5.152 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.191 5.486 -5.268 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.875 6.085 -7.626 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.766 7.758 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.561 5.510 -7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.056 4.801 -7.659 1.00 0.00 H new ATOM 417 N ILE A 30 -2.331 7.436 -3.496 1.00 0.00 N ATOM 418 CA ILE A 30 -2.147 8.305 -2.385 1.00 0.00 C ATOM 419 C ILE A 30 -2.255 7.477 -1.158 1.00 0.00 C ATOM 420 O ILE A 30 -3.335 6.988 -0.840 1.00 0.00 O ATOM 421 CB ILE A 30 -3.178 9.485 -2.310 1.00 0.00 C ATOM 422 CG1 ILE A 30 -3.141 10.319 -3.609 1.00 0.00 C ATOM 423 CG2 ILE A 30 -2.943 10.355 -1.057 1.00 0.00 C ATOM 424 CD1 ILE A 30 -3.834 11.670 -3.541 1.00 0.00 C ATOM 0 H ILE A 30 -3.168 6.856 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.171 8.778 -2.491 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.179 9.063 -2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.099 10.478 -3.888 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.599 9.735 -4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.673 11.164 -1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -3.052 9.742 -0.163 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.937 10.775 -1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.748 12.172 -4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.887 11.527 -3.299 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.364 12.282 -2.771 1.00 0.00 H new ATOM 436 N CYS A 31 -1.116 7.217 -0.536 1.00 0.00 N ATOM 437 CA CYS A 31 -1.074 6.537 0.730 1.00 0.00 C ATOM 438 C CYS A 31 -2.082 7.145 1.681 1.00 0.00 C ATOM 439 O CYS A 31 -1.903 8.249 2.188 1.00 0.00 O ATOM 440 CB CYS A 31 0.359 6.529 1.313 1.00 0.00 C ATOM 441 SG CYS A 31 0.516 6.109 3.050 1.00 0.00 S ATOM 0 H CYS A 31 -0.200 7.475 -0.902 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.351 5.493 0.580 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.958 5.824 0.736 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.795 7.516 1.160 1.00 0.00 H new ATOM 0 HG CYS A 31 1.747 6.283 3.429 1.00 0.00 H new ATOM 446 N GLN A 32 -3.162 6.416 1.877 1.00 0.00 N ATOM 447 CA GLN A 32 -4.248 6.826 2.731 1.00 0.00 C ATOM 448 C GLN A 32 -3.747 7.011 4.144 1.00 0.00 C ATOM 449 O GLN A 32 -4.260 7.822 4.892 1.00 0.00 O ATOM 450 CB GLN A 32 -5.387 5.798 2.711 1.00 0.00 C ATOM 451 CG GLN A 32 -5.016 4.429 3.218 1.00 0.00 C ATOM 452 CD GLN A 32 -6.202 3.533 3.209 1.00 0.00 C ATOM 453 OE1 GLN A 32 -6.922 3.427 4.189 1.00 0.00 O ATOM 454 NE2 GLN A 32 -6.440 2.913 2.104 1.00 0.00 N ATOM 0 H GLN A 32 -3.308 5.507 1.438 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.638 7.772 2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.212 6.180 3.312 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.754 5.704 1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.228 4.005 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.617 4.505 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.812 3.029 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.256 2.306 2.025 1.00 0.00 H new ATOM 463 N ASP A 33 -2.690 6.307 4.470 1.00 0.00 N ATOM 464 CA ASP A 33 -2.129 6.351 5.792 1.00 0.00 C ATOM 465 C ASP A 33 -1.360 7.677 5.985 1.00 0.00 C ATOM 466 O ASP A 33 -1.089 8.071 7.091 1.00 0.00 O ATOM 467 CB ASP A 33 -1.234 5.125 6.021 1.00 0.00 C ATOM 468 CG ASP A 33 -1.200 4.660 7.472 1.00 0.00 C ATOM 469 OD1 ASP A 33 -2.036 3.824 7.855 1.00 0.00 O ATOM 470 OD2 ASP A 33 -0.340 5.085 8.238 1.00 0.00 O ATOM 0 H ASP A 33 -2.197 5.689 3.825 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.924 6.318 6.536 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.586 4.306 5.393 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.220 5.360 5.699 1.00 0.00 H new ATOM 475 N CYS A 34 -1.039 8.386 4.861 1.00 0.00 N ATOM 476 CA CYS A 34 -0.435 9.681 4.902 1.00 0.00 C ATOM 477 C CYS A 34 -1.486 10.734 5.192 1.00 0.00 C ATOM 478 O CYS A 34 -1.305 11.614 6.014 1.00 0.00 O ATOM 479 CB CYS A 34 0.190 10.006 3.542 1.00 0.00 C ATOM 480 SG CYS A 34 1.905 9.506 3.214 1.00 0.00 S ATOM 0 H CYS A 34 -1.208 8.041 3.916 1.00 0.00 H new ATOM 0 HA CYS A 34 0.326 9.680 5.682 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.437 9.551 2.775 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.130 11.085 3.403 1.00 0.00 H new ATOM 0 HG CYS A 34 2.496 9.221 4.336 1.00 0.00 H new ATOM 485 N LYS A 35 -2.594 10.590 4.533 1.00 0.00 N ATOM 486 CA LYS A 35 -3.644 11.590 4.571 1.00 0.00 C ATOM 487 C LYS A 35 -4.453 11.506 5.839 1.00 0.00 C ATOM 488 O LYS A 35 -4.907 12.513 6.370 1.00 0.00 O ATOM 489 CB LYS A 35 -4.529 11.473 3.339 1.00 0.00 C ATOM 490 CG LYS A 35 -5.292 10.181 3.200 1.00 0.00 C ATOM 491 CD LYS A 35 -5.846 10.007 1.798 1.00 0.00 C ATOM 492 CE LYS A 35 -6.832 11.107 1.395 1.00 0.00 C ATOM 493 NZ LYS A 35 -8.102 11.060 2.159 1.00 0.00 N ATOM 0 H LYS A 35 -2.807 9.780 3.950 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.172 12.573 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.244 12.296 3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.906 11.602 2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -4.637 9.343 3.439 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -6.110 10.162 3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.019 9.992 1.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -6.344 9.040 1.729 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.362 12.079 1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.052 11.017 0.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.727 11.828 1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.570 10.145 1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.901 11.174 3.173 1.00 0.00 H new ATOM 762 N PRO A 52 7.272 9.090 -3.303 1.00 0.00 N ATOM 763 CA PRO A 52 7.179 7.874 -2.578 1.00 0.00 C ATOM 764 C PRO A 52 6.389 6.852 -3.380 1.00 0.00 C ATOM 765 O PRO A 52 5.443 7.210 -4.109 1.00 0.00 O ATOM 766 CB PRO A 52 6.471 8.302 -1.297 1.00 0.00 C ATOM 767 CG PRO A 52 5.584 9.400 -1.725 1.00 0.00 C ATOM 768 CD PRO A 52 6.390 10.146 -2.730 1.00 0.00 C ATOM 0 HA PRO A 52 8.134 7.390 -2.372 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.905 7.479 -0.861 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.182 8.636 -0.541 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.659 9.020 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.304 10.037 -0.886 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.760 10.604 -3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.967 10.948 -2.270 1.00 0.00 H new ATOM 776 N SER A 53 6.821 5.624 -3.341 1.00 0.00 N ATOM 777 CA SER A 53 6.130 4.581 -4.011 1.00 0.00 C ATOM 778 C SER A 53 4.860 4.277 -3.246 1.00 0.00 C ATOM 779 O SER A 53 4.811 4.492 -2.028 1.00 0.00 O ATOM 780 CB SER A 53 7.053 3.374 -4.118 1.00 0.00 C ATOM 781 OG SER A 53 7.753 3.151 -2.884 1.00 0.00 O ATOM 0 H SER A 53 7.660 5.327 -2.843 1.00 0.00 H new ATOM 0 HA SER A 53 5.847 4.869 -5.023 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.472 2.489 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.770 3.530 -4.924 1.00 0.00 H new ATOM 0 HG SER A 53 8.624 2.742 -3.071 1.00 0.00 H new ATOM 787 N VAL A 54 3.850 3.830 -3.917 1.00 0.00 N ATOM 788 CA VAL A 54 2.608 3.572 -3.242 1.00 0.00 C ATOM 789 C VAL A 54 2.281 2.109 -3.335 1.00 0.00 C ATOM 790 O VAL A 54 2.037 1.561 -4.412 1.00 0.00 O ATOM 791 CB VAL A 54 1.437 4.465 -3.722 1.00 0.00 C ATOM 792 CG1 VAL A 54 0.238 4.240 -2.841 1.00 0.00 C ATOM 793 CG2 VAL A 54 1.828 5.929 -3.675 1.00 0.00 C ATOM 0 H VAL A 54 3.852 3.636 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 54 2.744 3.843 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 54 1.196 4.199 -4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.585 4.869 -3.180 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.060 3.193 -2.893 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.490 4.495 -1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.992 6.540 -4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.085 6.204 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.688 6.097 -4.323 1.00 0.00 H new ATOM 803 N TRP A 55 2.351 1.491 -2.212 1.00 0.00 N ATOM 804 CA TRP A 55 2.130 0.102 -2.074 1.00 0.00 C ATOM 805 C TRP A 55 0.783 -0.129 -1.435 1.00 0.00 C ATOM 806 O TRP A 55 0.465 0.436 -0.380 1.00 0.00 O ATOM 807 CB TRP A 55 3.257 -0.542 -1.256 1.00 0.00 C ATOM 808 CG TRP A 55 4.623 -0.356 -1.864 1.00 0.00 C ATOM 809 CD1 TRP A 55 5.416 0.734 -1.739 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.356 -1.288 -2.680 1.00 0.00 C ATOM 811 NE1 TRP A 55 6.584 0.553 -2.426 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.578 -0.680 -3.007 1.00 0.00 C ATOM 813 CE3 TRP A 55 5.098 -2.572 -3.164 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.542 -1.309 -3.793 1.00 0.00 C ATOM 815 CZ3 TRP A 55 6.053 -3.197 -3.943 1.00 0.00 C ATOM 816 CH2 TRP A 55 7.262 -2.566 -4.249 1.00 0.00 C ATOM 0 H TRP A 55 2.572 1.958 -1.333 1.00 0.00 H new ATOM 0 HA TRP A 55 2.132 -0.367 -3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.254 -0.118 -0.252 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.056 -1.608 -1.152 1.00 0.00 H new ATOM 0 HD1 TRP A 55 5.162 1.620 -1.177 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.341 1.234 -2.493 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.167 -3.069 -2.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.475 -0.821 -4.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.862 -4.190 -4.322 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.989 -3.082 -4.858 1.00 0.00 H new ATOM 827 N LEU A 56 -0.013 -0.900 -2.090 1.00 0.00 N ATOM 828 CA LEU A 56 -1.311 -1.211 -1.596 1.00 0.00 C ATOM 829 C LEU A 56 -1.354 -2.632 -1.047 1.00 0.00 C ATOM 830 O LEU A 56 -1.064 -3.588 -1.768 1.00 0.00 O ATOM 831 CB LEU A 56 -2.380 -1.030 -2.663 1.00 0.00 C ATOM 832 CG LEU A 56 -3.788 -1.336 -2.181 1.00 0.00 C ATOM 833 CD1 LEU A 56 -4.597 -0.073 -1.996 1.00 0.00 C ATOM 834 CD2 LEU A 56 -4.466 -2.320 -3.088 1.00 0.00 C ATOM 0 H LEU A 56 0.216 -1.334 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.524 -0.512 -0.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.346 -0.003 -3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.148 -1.676 -3.510 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.714 -1.804 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.598 -0.330 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.111 0.565 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.666 0.458 -2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.472 -2.521 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.524 -1.907 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.895 -3.248 -3.109 1.00 0.00 H new ATOM 846 N CYS A 57 -1.703 -2.740 0.221 1.00 0.00 N ATOM 847 CA CYS A 57 -1.863 -3.990 0.934 1.00 0.00 C ATOM 848 C CYS A 57 -2.940 -4.812 0.252 1.00 0.00 C ATOM 849 O CYS A 57 -4.114 -4.465 0.318 1.00 0.00 O ATOM 850 CB CYS A 57 -2.297 -3.672 2.386 1.00 0.00 C ATOM 851 SG CYS A 57 -2.369 -5.075 3.569 1.00 0.00 S ATOM 0 H CYS A 57 -1.890 -1.925 0.805 1.00 0.00 H new ATOM 0 HA CYS A 57 -0.928 -4.550 0.939 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.611 -2.927 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.284 -3.210 2.350 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.248 -4.626 4.783 1.00 0.00 H new ATOM 856 N LEU A 58 -2.544 -5.917 -0.358 1.00 0.00 N ATOM 857 CA LEU A 58 -3.440 -6.814 -1.087 1.00 0.00 C ATOM 858 C LEU A 58 -4.336 -7.552 -0.137 1.00 0.00 C ATOM 859 O LEU A 58 -5.269 -8.245 -0.520 1.00 0.00 O ATOM 860 CB LEU A 58 -2.561 -7.755 -1.874 1.00 0.00 C ATOM 861 CG LEU A 58 -1.940 -7.126 -3.106 1.00 0.00 C ATOM 862 CD1 LEU A 58 -0.639 -7.777 -3.446 1.00 0.00 C ATOM 863 CD2 LEU A 58 -2.882 -7.306 -4.262 1.00 0.00 C ATOM 0 H LEU A 58 -1.572 -6.226 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.098 -6.262 -1.758 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.766 -8.123 -1.225 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.151 -8.620 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.759 -6.070 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.217 -7.305 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.053 -7.665 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.803 -8.837 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.450 -6.858 -5.157 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.049 -8.369 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.832 -6.821 -4.036 1.00 0.00 H new ATOM 875 N LYS A 59 -4.039 -7.380 1.094 1.00 0.00 N ATOM 876 CA LYS A 59 -4.778 -7.967 2.136 1.00 0.00 C ATOM 877 C LYS A 59 -5.962 -7.105 2.575 1.00 0.00 C ATOM 878 O LYS A 59 -7.030 -7.624 2.806 1.00 0.00 O ATOM 879 CB LYS A 59 -3.875 -8.280 3.318 1.00 0.00 C ATOM 880 CG LYS A 59 -4.611 -8.890 4.462 1.00 0.00 C ATOM 881 CD LYS A 59 -5.129 -10.280 4.105 1.00 0.00 C ATOM 882 CE LYS A 59 -5.667 -11.032 5.311 1.00 0.00 C ATOM 883 NZ LYS A 59 -6.926 -10.466 5.843 1.00 0.00 N ATOM 0 H LYS A 59 -3.254 -6.811 1.410 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.192 -8.897 1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.086 -8.959 2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.390 -7.363 3.652 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.953 -8.956 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.446 -8.249 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.917 -10.189 3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.324 -10.858 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.833 -12.073 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.914 -11.027 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.211 -10.993 6.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.781 -9.466 6.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.672 -10.541 5.122 1.00 0.00 H new ATOM 897 N CYS A 60 -5.766 -5.813 2.723 1.00 0.00 N ATOM 898 CA CYS A 60 -6.871 -4.965 3.223 1.00 0.00 C ATOM 899 C CYS A 60 -7.165 -3.732 2.398 1.00 0.00 C ATOM 900 O CYS A 60 -8.120 -3.033 2.684 1.00 0.00 O ATOM 901 CB CYS A 60 -6.625 -4.553 4.656 1.00 0.00 C ATOM 902 SG CYS A 60 -5.304 -3.337 4.851 1.00 0.00 S ATOM 0 H CYS A 60 -4.895 -5.324 2.519 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.753 -5.600 3.143 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.547 -4.143 5.069 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -6.379 -5.439 5.241 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.184 -3.841 4.425 1.00 0.00 H new ATOM 907 N GLY A 61 -6.368 -3.450 1.431 1.00 0.00 N ATOM 908 CA GLY A 61 -6.592 -2.257 0.655 1.00 0.00 C ATOM 909 C GLY A 61 -5.947 -1.033 1.286 1.00 0.00 C ATOM 910 O GLY A 61 -6.270 0.102 0.930 1.00 0.00 O ATOM 0 H GLY A 61 -5.563 -4.011 1.151 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.193 -2.399 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.664 -2.088 0.552 1.00 0.00 H new ATOM 914 N HIS A 62 -5.057 -1.267 2.246 1.00 0.00 N ATOM 915 CA HIS A 62 -4.253 -0.200 2.832 1.00 0.00 C ATOM 916 C HIS A 62 -3.355 0.338 1.778 1.00 0.00 C ATOM 917 O HIS A 62 -2.716 -0.406 1.072 1.00 0.00 O ATOM 918 CB HIS A 62 -3.417 -0.699 4.058 1.00 0.00 C ATOM 919 CG HIS A 62 -2.121 0.073 4.335 1.00 0.00 C ATOM 920 ND1 HIS A 62 -1.994 1.139 5.199 1.00 0.00 N ATOM 921 CD2 HIS A 62 -0.879 -0.113 3.801 1.00 0.00 C ATOM 922 CE1 HIS A 62 -0.715 1.550 5.146 1.00 0.00 C ATOM 923 NE2 HIS A 62 -0.010 0.823 4.318 1.00 0.00 N ATOM 0 H HIS A 62 -4.874 -2.192 2.636 1.00 0.00 H new ATOM 0 HA HIS A 62 -4.918 0.579 3.204 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.045 -0.650 4.947 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.167 -1.748 3.902 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.734 1.542 5.773 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -0.617 -0.877 3.083 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -0.319 2.377 5.716 1.00 0.00 H new ATOM 931 N GLN A 63 -3.319 1.596 1.673 1.00 0.00 N ATOM 932 CA GLN A 63 -2.483 2.195 0.736 1.00 0.00 C ATOM 933 C GLN A 63 -1.450 3.003 1.473 1.00 0.00 C ATOM 934 O GLN A 63 -1.784 3.936 2.214 1.00 0.00 O ATOM 935 CB GLN A 63 -3.312 3.006 -0.164 1.00 0.00 C ATOM 936 CG GLN A 63 -2.624 3.469 -1.385 1.00 0.00 C ATOM 937 CD GLN A 63 -3.568 4.049 -2.373 1.00 0.00 C ATOM 938 OE1 GLN A 63 -3.331 4.030 -3.554 1.00 0.00 O ATOM 939 NE2 GLN A 63 -4.662 4.512 -1.922 1.00 0.00 N ATOM 0 H GLN A 63 -3.871 2.242 2.237 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.952 1.464 0.126 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -4.186 2.423 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -3.676 3.875 0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.876 4.215 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -2.092 2.633 -1.840 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.838 4.517 -0.917 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.364 4.879 -2.565 1.00 0.00 H new ATOM 948 N GLY A 64 -0.256 2.595 1.326 1.00 0.00 N ATOM 949 CA GLY A 64 0.831 3.150 1.992 1.00 0.00 C ATOM 950 C GLY A 64 1.941 3.504 1.076 1.00 0.00 C ATOM 951 O GLY A 64 1.941 3.157 -0.085 1.00 0.00 O ATOM 0 H GLY A 64 -0.004 1.826 0.705 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.507 4.043 2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.193 2.444 2.740 1.00 0.00 H new ATOM 955 N CYS A 65 2.852 4.221 1.600 1.00 0.00 N ATOM 956 CA CYS A 65 3.965 4.692 0.884 1.00 0.00 C ATOM 957 C CYS A 65 5.195 3.828 1.215 1.00 0.00 C ATOM 958 O CYS A 65 5.351 3.369 2.370 1.00 0.00 O ATOM 959 CB CYS A 65 4.149 6.148 1.269 1.00 0.00 C ATOM 960 SG CYS A 65 4.230 6.393 3.044 1.00 0.00 S ATOM 0 H CYS A 65 2.843 4.508 2.579 1.00 0.00 H new ATOM 0 HA CYS A 65 3.824 4.623 -0.195 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.063 6.527 0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 65 3.324 6.733 0.863 1.00 0.00 H new ATOM 0 HG CYS A 65 4.098 7.658 3.314 1.00 0.00 H new ATOM 965 N GLY A 66 6.014 3.582 0.211 1.00 0.00 N ATOM 966 CA GLY A 66 7.171 2.722 0.351 1.00 0.00 C ATOM 967 C GLY A 66 8.432 3.436 0.785 1.00 0.00 C ATOM 968 O GLY A 66 8.377 4.415 1.501 1.00 0.00 O ATOM 0 H GLY A 66 5.896 3.973 -0.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.942 1.941 1.076 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.358 2.227 -0.602 1.00 0.00 H new ATOM 972 N ARG A 67 9.566 2.950 0.315 1.00 0.00 N ATOM 973 CA ARG A 67 10.892 3.422 0.743 1.00 0.00 C ATOM 974 C ARG A 67 11.150 4.917 0.569 1.00 0.00 C ATOM 975 O ARG A 67 11.692 5.536 1.464 1.00 0.00 O ATOM 976 CB ARG A 67 12.009 2.578 0.124 1.00 0.00 C ATOM 977 CG ARG A 67 13.421 2.997 0.517 1.00 0.00 C ATOM 978 CD ARG A 67 13.650 2.925 2.028 1.00 0.00 C ATOM 979 NE ARG A 67 15.026 3.251 2.383 1.00 0.00 N ATOM 980 CZ ARG A 67 15.466 3.658 3.586 1.00 0.00 C ATOM 981 NH1 ARG A 67 14.617 3.884 4.595 1.00 0.00 N ATOM 982 NH2 ARG A 67 16.761 3.863 3.764 1.00 0.00 N ATOM 0 H ARG A 67 9.604 2.207 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 67 10.896 3.279 1.824 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.861 1.537 0.412 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.921 2.624 -0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 67 14.142 2.354 0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.605 4.015 0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.972 3.614 2.532 1.00 0.00 H new ATOM 0 HD3 ARG A 67 13.410 1.923 2.385 1.00 0.00 H new ATOM 0 HE ARG A 67 15.724 3.161 1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.615 3.748 4.459 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.971 4.192 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 67 17.412 3.712 2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.108 4.172 4.672 1.00 0.00 H new ATOM 996 N ASN A 68 10.746 5.494 -0.534 1.00 0.00 N ATOM 997 CA ASN A 68 11.012 6.934 -0.779 1.00 0.00 C ATOM 998 C ASN A 68 10.189 7.877 0.086 1.00 0.00 C ATOM 999 O ASN A 68 10.190 9.084 -0.148 1.00 0.00 O ATOM 1000 CB ASN A 68 10.798 7.319 -2.231 1.00 0.00 C ATOM 1001 CG ASN A 68 11.832 6.795 -3.171 1.00 0.00 C ATOM 1002 OD1 ASN A 68 12.973 6.558 -2.802 1.00 0.00 O ATOM 1003 ND2 ASN A 68 11.457 6.653 -4.406 1.00 0.00 N ATOM 0 H ASN A 68 10.238 5.019 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 68 12.061 7.051 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.820 6.957 -2.549 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.775 8.406 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 68 12.124 6.333 -5.108 1.00 0.00 H new ATOM 0 HD22 ASN A 68 10.495 6.861 -4.674 1.00 0.00 H new ATOM 1010 N SER A 69 9.505 7.370 1.068 1.00 0.00 N ATOM 1011 CA SER A 69 8.753 8.241 1.908 1.00 0.00 C ATOM 1012 C SER A 69 9.525 8.495 3.188 1.00 0.00 C ATOM 1013 O SER A 69 10.579 7.870 3.427 1.00 0.00 O ATOM 1014 CB SER A 69 7.383 7.667 2.203 1.00 0.00 C ATOM 1015 OG SER A 69 7.480 6.427 2.853 1.00 0.00 O ATOM 0 H SER A 69 9.454 6.378 1.301 1.00 0.00 H new ATOM 0 HA SER A 69 8.601 9.188 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.821 8.363 2.825 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.827 7.550 1.273 1.00 0.00 H new ATOM 0 HG SER A 69 7.676 5.727 2.195 1.00 0.00 H new ATOM 1021 N GLN A 70 9.058 9.417 3.970 1.00 0.00 N ATOM 1022 CA GLN A 70 9.663 9.733 5.231 1.00 0.00 C ATOM 1023 C GLN A 70 9.184 8.749 6.283 1.00 0.00 C ATOM 1024 O GLN A 70 9.949 8.271 7.115 1.00 0.00 O ATOM 1025 CB GLN A 70 9.269 11.152 5.621 1.00 0.00 C ATOM 1026 CG GLN A 70 9.867 11.664 6.916 1.00 0.00 C ATOM 1027 CD GLN A 70 9.359 13.048 7.247 1.00 0.00 C ATOM 1028 OE1 GLN A 70 9.933 14.046 6.834 1.00 0.00 O ATOM 1029 NE2 GLN A 70 8.292 13.123 7.992 1.00 0.00 N ATOM 0 H GLN A 70 8.236 9.980 3.750 1.00 0.00 H new ATOM 0 HA GLN A 70 10.748 9.665 5.155 1.00 0.00 H new ATOM 0 HB2 GLN A 70 9.561 11.826 4.815 1.00 0.00 H new ATOM 0 HB3 GLN A 70 8.183 11.200 5.699 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.620 10.980 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.954 11.683 6.834 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.838 12.270 8.320 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.911 14.034 8.247 1.00 0.00 H new ATOM 1038 N GLU A 71 7.909 8.447 6.225 1.00 0.00 N ATOM 1039 CA GLU A 71 7.273 7.628 7.225 1.00 0.00 C ATOM 1040 C GLU A 71 7.383 6.151 6.897 1.00 0.00 C ATOM 1041 O GLU A 71 7.529 5.331 7.800 1.00 0.00 O ATOM 1042 CB GLU A 71 5.769 7.978 7.387 1.00 0.00 C ATOM 1043 CG GLU A 71 5.285 9.296 6.750 1.00 0.00 C ATOM 1044 CD GLU A 71 5.207 9.218 5.239 1.00 0.00 C ATOM 1045 OE1 GLU A 71 4.207 8.690 4.730 1.00 0.00 O ATOM 1046 OE2 GLU A 71 6.160 9.633 4.557 1.00 0.00 O ATOM 0 H GLU A 71 7.285 8.763 5.483 1.00 0.00 H new ATOM 0 HA GLU A 71 7.799 7.836 8.157 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.184 7.162 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.542 8.013 8.453 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.302 9.548 7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.961 10.102 7.034 1.00 0.00 H new ATOM 1053 N GLN A 72 7.351 5.825 5.604 1.00 0.00 N ATOM 1054 CA GLN A 72 7.308 4.439 5.135 1.00 0.00 C ATOM 1055 C GLN A 72 6.131 3.699 5.754 1.00 0.00 C ATOM 1056 O GLN A 72 6.295 2.653 6.375 1.00 0.00 O ATOM 1057 CB GLN A 72 8.624 3.688 5.380 1.00 0.00 C ATOM 1058 CG GLN A 72 9.762 4.172 4.529 1.00 0.00 C ATOM 1059 CD GLN A 72 10.898 3.248 4.544 1.00 0.00 C ATOM 1060 OE1 GLN A 72 11.806 3.341 5.370 1.00 0.00 O ATOM 1061 NE2 GLN A 72 10.883 2.352 3.663 1.00 0.00 N ATOM 0 H GLN A 72 7.354 6.514 4.852 1.00 0.00 H new ATOM 0 HA GLN A 72 7.170 4.474 4.054 1.00 0.00 H new ATOM 0 HB2 GLN A 72 8.899 3.788 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.467 2.626 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.416 4.303 3.504 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.087 5.150 4.883 1.00 0.00 H new ATOM 0 HE21 GLN A 72 10.113 2.306 2.995 1.00 0.00 H new ATOM 0 HE22 GLN A 72 11.640 1.670 3.616 1.00 0.00 H new ATOM 1070 N HIS A 73 4.929 4.255 5.572 1.00 0.00 N ATOM 1071 CA HIS A 73 3.734 3.748 6.153 1.00 0.00 C ATOM 1072 C HIS A 73 3.430 2.304 5.777 1.00 0.00 C ATOM 1073 O HIS A 73 2.893 1.589 6.583 1.00 0.00 O ATOM 1074 CB HIS A 73 2.576 4.636 5.793 1.00 0.00 C ATOM 1075 CG HIS A 73 2.459 5.937 6.556 1.00 0.00 C ATOM 1076 ND1 HIS A 73 2.259 7.098 5.901 1.00 0.00 N ATOM 1077 CD2 HIS A 73 2.416 6.177 7.886 1.00 0.00 C ATOM 1078 CE1 HIS A 73 2.089 8.019 6.780 1.00 0.00 C ATOM 1079 NE2 HIS A 73 2.170 7.522 8.021 1.00 0.00 N ATOM 0 H HIS A 73 4.783 5.087 5.000 1.00 0.00 H new ATOM 0 HA HIS A 73 3.890 3.749 7.232 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.642 4.869 4.730 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.655 4.071 5.939 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.548 5.458 8.681 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.905 9.058 6.549 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.069 8.040 8.894 1.00 0.00 H new ATOM 1087 N ALA A 74 3.795 1.880 4.569 1.00 0.00 N ATOM 1088 CA ALA A 74 3.558 0.485 4.154 1.00 0.00 C ATOM 1089 C ALA A 74 4.434 -0.451 4.986 1.00 0.00 C ATOM 1090 O ALA A 74 4.010 -1.531 5.427 1.00 0.00 O ATOM 1091 CB ALA A 74 3.847 0.314 2.667 1.00 0.00 C ATOM 0 H ALA A 74 4.248 2.464 3.866 1.00 0.00 H new ATOM 0 HA ALA A 74 2.511 0.234 4.324 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.667 -0.721 2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.194 0.970 2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.887 0.571 2.467 1.00 0.00 H new ATOM 1097 N LEU A 75 5.620 0.024 5.285 1.00 0.00 N ATOM 1098 CA LEU A 75 6.580 -0.718 6.068 1.00 0.00 C ATOM 1099 C LEU A 75 6.107 -0.748 7.509 1.00 0.00 C ATOM 1100 O LEU A 75 6.095 -1.802 8.137 1.00 0.00 O ATOM 1101 CB LEU A 75 8.003 -0.124 5.947 1.00 0.00 C ATOM 1102 CG LEU A 75 8.728 -0.232 4.571 1.00 0.00 C ATOM 1103 CD1 LEU A 75 8.948 -1.674 4.187 1.00 0.00 C ATOM 1104 CD2 LEU A 75 7.985 0.503 3.447 1.00 0.00 C ATOM 0 H LEU A 75 5.948 0.943 4.990 1.00 0.00 H new ATOM 0 HA LEU A 75 6.646 -1.737 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.948 0.932 6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.631 -0.609 6.694 1.00 0.00 H new ATOM 0 HG LEU A 75 9.693 0.258 4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 75 9.455 -1.721 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 75 9.561 -2.163 4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.986 -2.182 4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.537 0.393 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.988 0.078 3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.902 1.561 3.697 1.00 0.00 H new ATOM 1116 N LYS A 76 5.692 0.415 8.029 1.00 0.00 N ATOM 1117 CA LYS A 76 5.070 0.495 9.354 1.00 0.00 C ATOM 1118 C LYS A 76 3.845 -0.397 9.418 1.00 0.00 C ATOM 1119 O LYS A 76 3.558 -1.000 10.452 1.00 0.00 O ATOM 1120 CB LYS A 76 4.636 1.924 9.656 1.00 0.00 C ATOM 1121 CG LYS A 76 5.732 2.942 9.483 1.00 0.00 C ATOM 1122 CD LYS A 76 5.248 4.348 9.760 1.00 0.00 C ATOM 1123 CE LYS A 76 5.052 4.595 11.242 1.00 0.00 C ATOM 1124 NZ LYS A 76 4.592 5.964 11.522 1.00 0.00 N ATOM 0 H LYS A 76 5.777 1.312 7.551 1.00 0.00 H new ATOM 0 HA LYS A 76 5.808 0.169 10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.803 2.186 9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.266 1.973 10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.557 2.704 10.154 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.121 2.886 8.466 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.968 5.065 9.364 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.308 4.518 9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.326 3.883 11.634 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.991 4.415 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.472 6.087 12.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.296 6.645 11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.683 6.129 11.045 1.00 0.00 H new ATOM 1138 N HIS A 77 3.157 -0.528 8.298 1.00 0.00 N ATOM 1139 CA HIS A 77 1.959 -1.332 8.232 1.00 0.00 C ATOM 1140 C HIS A 77 2.335 -2.776 8.342 1.00 0.00 C ATOM 1141 O HIS A 77 1.614 -3.543 8.917 1.00 0.00 O ATOM 1142 CB HIS A 77 1.138 -1.064 6.978 1.00 0.00 C ATOM 1143 CG HIS A 77 -0.217 -1.737 6.942 1.00 0.00 C ATOM 1144 ND1 HIS A 77 -1.299 -1.240 7.607 1.00 0.00 N ATOM 1145 CD2 HIS A 77 -0.669 -2.839 6.249 1.00 0.00 C ATOM 1146 CE1 HIS A 77 -2.358 -1.999 7.321 1.00 0.00 C ATOM 1147 NE2 HIS A 77 -2.044 -2.990 6.490 1.00 0.00 N ATOM 0 H HIS A 77 3.414 -0.082 7.417 1.00 0.00 H new ATOM 0 HA HIS A 77 1.316 -1.056 9.068 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.995 0.012 6.879 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.712 -1.390 6.110 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -1.299 -0.425 8.220 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.065 -3.480 5.624 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.349 -1.830 7.716 1.00 0.00 H new ATOM 1155 N TYR A 78 3.454 -3.149 7.798 1.00 0.00 N ATOM 1156 CA TYR A 78 3.947 -4.491 7.989 1.00 0.00 C ATOM 1157 C TYR A 78 4.406 -4.698 9.422 1.00 0.00 C ATOM 1158 O TYR A 78 4.210 -5.770 9.999 1.00 0.00 O ATOM 1159 CB TYR A 78 5.067 -4.816 7.018 1.00 0.00 C ATOM 1160 CG TYR A 78 5.664 -6.196 7.240 1.00 0.00 C ATOM 1161 CD1 TYR A 78 4.872 -7.339 7.157 1.00 0.00 C ATOM 1162 CD2 TYR A 78 7.009 -6.354 7.555 1.00 0.00 C ATOM 1163 CE1 TYR A 78 5.402 -8.590 7.384 1.00 0.00 C ATOM 1164 CE2 TYR A 78 7.546 -7.607 7.776 1.00 0.00 C ATOM 1165 CZ TYR A 78 6.735 -8.720 7.692 1.00 0.00 C ATOM 1166 OH TYR A 78 7.261 -9.973 7.930 1.00 0.00 O ATOM 0 H TYR A 78 4.045 -2.551 7.220 1.00 0.00 H new ATOM 0 HA TYR A 78 3.123 -5.175 7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.687 -4.750 5.999 1.00 0.00 H new ATOM 0 HB3 TYR A 78 5.853 -4.067 7.114 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.825 -7.243 6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 78 7.644 -5.483 7.628 1.00 0.00 H new ATOM 0 HE1 TYR A 78 4.772 -9.465 7.320 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.594 -7.715 8.013 1.00 0.00 H new ATOM 0 HH TYR A 78 8.216 -9.894 8.133 1.00 0.00 H new ATOM 1176 N LEU A 79 4.976 -3.668 10.012 1.00 0.00 N ATOM 1177 CA LEU A 79 5.473 -3.744 11.370 1.00 0.00 C ATOM 1178 C LEU A 79 4.344 -3.552 12.373 1.00 0.00 C ATOM 1179 O LEU A 79 4.554 -3.608 13.590 1.00 0.00 O ATOM 1180 CB LEU A 79 6.569 -2.695 11.591 1.00 0.00 C ATOM 1181 CG LEU A 79 7.753 -2.758 10.622 1.00 0.00 C ATOM 1182 CD1 LEU A 79 8.814 -1.739 10.994 1.00 0.00 C ATOM 1183 CD2 LEU A 79 8.329 -4.159 10.570 1.00 0.00 C ATOM 0 H LEU A 79 5.107 -2.760 9.567 1.00 0.00 H new ATOM 0 HA LEU A 79 5.898 -4.736 11.525 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.118 -1.705 11.521 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.949 -2.801 12.607 1.00 0.00 H new ATOM 0 HG LEU A 79 7.391 -2.508 9.625 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.644 -1.804 10.290 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.385 -0.738 10.957 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.176 -1.942 12.002 1.00 0.00 H new ATOM 0 HD21 LEU A 79 9.169 -4.182 9.876 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.671 -4.449 11.563 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.561 -4.856 10.233 1.00 0.00 H new ATOM 1195 N THR A 80 3.171 -3.312 11.854 1.00 0.00 N ATOM 1196 CA THR A 80 1.974 -3.163 12.668 1.00 0.00 C ATOM 1197 C THR A 80 1.616 -4.497 13.366 1.00 0.00 C ATOM 1198 O THR A 80 1.469 -5.527 12.699 1.00 0.00 O ATOM 1199 CB THR A 80 0.785 -2.691 11.796 1.00 0.00 C ATOM 1200 OG1 THR A 80 1.057 -1.382 11.269 1.00 0.00 O ATOM 1201 CG2 THR A 80 -0.535 -2.682 12.569 1.00 0.00 C ATOM 0 H THR A 80 3.007 -3.212 10.852 1.00 0.00 H new ATOM 0 HA THR A 80 2.175 -2.412 13.432 1.00 0.00 H new ATOM 0 HB THR A 80 0.675 -3.404 10.979 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.004 -1.318 11.025 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.338 -2.344 11.914 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.756 -3.689 12.924 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.453 -2.007 13.421 1.00 0.00 H new ATOM 1209 N PRO A 81 1.531 -4.508 14.711 1.00 0.00 N ATOM 1210 CA PRO A 81 1.123 -5.684 15.456 1.00 0.00 C ATOM 1211 C PRO A 81 -0.362 -5.953 15.295 1.00 0.00 C ATOM 1212 O PRO A 81 -1.229 -5.086 15.528 1.00 0.00 O ATOM 1213 CB PRO A 81 1.448 -5.352 16.888 1.00 0.00 C ATOM 1214 CG PRO A 81 1.370 -3.891 16.942 1.00 0.00 C ATOM 1215 CD PRO A 81 1.850 -3.392 15.610 1.00 0.00 C ATOM 0 HA PRO A 81 1.630 -6.583 15.107 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.740 -5.815 17.575 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.440 -5.709 17.165 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.348 -3.563 17.134 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.988 -3.499 17.750 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.340 -2.475 15.314 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.918 -3.174 15.621 1.00 0.00 H new ATOM 1223 N ARG A 82 -0.622 -7.110 14.851 1.00 0.00 N ATOM 1224 CA ARG A 82 -1.966 -7.578 14.553 1.00 0.00 C ATOM 1225 C ARG A 82 -2.036 -9.097 14.606 1.00 0.00 C ATOM 1226 O ARG A 82 -1.026 -9.764 14.869 1.00 0.00 O ATOM 1227 CB ARG A 82 -2.404 -7.080 13.187 1.00 0.00 C ATOM 1228 CG ARG A 82 -1.374 -7.322 12.143 1.00 0.00 C ATOM 1229 CD ARG A 82 -1.862 -7.003 10.776 1.00 0.00 C ATOM 1230 NE ARG A 82 -0.763 -7.086 9.863 1.00 0.00 N ATOM 1231 CZ ARG A 82 -0.140 -6.040 9.375 1.00 0.00 C ATOM 1232 NH1 ARG A 82 -0.656 -4.814 9.526 1.00 0.00 N ATOM 1233 NH2 ARG A 82 0.964 -6.210 8.678 1.00 0.00 N ATOM 0 H ARG A 82 0.100 -7.807 14.667 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.642 -7.179 15.309 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.331 -7.577 12.902 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.618 -6.013 13.243 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.493 -6.719 12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.063 -8.366 12.180 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -2.649 -7.699 10.484 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -2.296 -6.004 10.754 1.00 0.00 H new ATOM 0 HE ARG A 82 -0.446 -8.012 9.575 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -1.538 -4.690 10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.167 -4.004 9.144 1.00 0.00 H new ATOM 0 HH21 ARG A 82 1.328 -7.150 8.521 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.455 -5.402 8.295 1.00 0.00 H new ATOM 1247 N SER A 83 -3.193 -9.630 14.321 1.00 0.00 N ATOM 1248 CA SER A 83 -3.427 -11.048 14.346 1.00 0.00 C ATOM 1249 C SER A 83 -3.232 -11.664 12.938 1.00 0.00 C ATOM 1250 O SER A 83 -2.765 -12.795 12.797 1.00 0.00 O ATOM 1251 CB SER A 83 -4.845 -11.270 14.851 1.00 0.00 C ATOM 1252 OG SER A 83 -5.053 -10.520 16.049 1.00 0.00 O ATOM 0 H SER A 83 -4.013 -9.082 14.061 1.00 0.00 H new ATOM 0 HA SER A 83 -2.713 -11.540 15.006 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.564 -10.965 14.090 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.012 -12.330 15.041 1.00 0.00 H new ATOM 0 HG SER A 83 -5.968 -10.664 16.370 1.00 0.00 H new ATOM 1258 N GLU A 84 -3.587 -10.912 11.909 1.00 0.00 N ATOM 1259 CA GLU A 84 -3.428 -11.361 10.528 1.00 0.00 C ATOM 1260 C GLU A 84 -2.045 -10.933 10.009 1.00 0.00 C ATOM 1261 O GLU A 84 -1.430 -10.053 10.589 1.00 0.00 O ATOM 1262 CB GLU A 84 -4.496 -10.735 9.650 1.00 0.00 C ATOM 1263 CG GLU A 84 -5.924 -11.036 10.040 1.00 0.00 C ATOM 1264 CD GLU A 84 -6.877 -10.385 9.082 1.00 0.00 C ATOM 1265 OE1 GLU A 84 -6.938 -9.139 9.042 1.00 0.00 O ATOM 1266 OE2 GLU A 84 -7.549 -11.092 8.320 1.00 0.00 O ATOM 0 H GLU A 84 -3.991 -9.980 12.002 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.522 -12.446 10.496 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.357 -9.654 9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.340 -11.071 8.625 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.086 -12.114 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.114 -10.678 11.052 1.00 0.00 H new ATOM 1273 N PRO A 85 -1.528 -11.546 8.922 1.00 0.00 N ATOM 1274 CA PRO A 85 -0.216 -11.175 8.385 1.00 0.00 C ATOM 1275 C PRO A 85 -0.189 -9.800 7.654 1.00 0.00 C ATOM 1276 O PRO A 85 0.600 -8.924 8.012 1.00 0.00 O ATOM 1277 CB PRO A 85 0.134 -12.322 7.436 1.00 0.00 C ATOM 1278 CG PRO A 85 -1.170 -12.935 7.051 1.00 0.00 C ATOM 1279 CD PRO A 85 -2.122 -12.693 8.192 1.00 0.00 C ATOM 0 HA PRO A 85 0.506 -11.041 9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 85 0.669 -11.956 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.781 -13.051 7.924 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.549 -12.490 6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.054 -14.003 6.865 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.124 -12.461 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.209 -13.571 8.832 1.00 0.00 H new ATOM 1287 N HIS A 86 -1.086 -9.611 6.652 1.00 0.00 N ATOM 1288 CA HIS A 86 -1.139 -8.369 5.811 1.00 0.00 C ATOM 1289 C HIS A 86 0.216 -8.050 5.215 1.00 0.00 C ATOM 1290 O HIS A 86 0.610 -6.890 5.143 1.00 0.00 O ATOM 1291 CB HIS A 86 -1.604 -7.145 6.612 1.00 0.00 C ATOM 1292 CG HIS A 86 -3.022 -7.143 7.024 1.00 0.00 C ATOM 1293 ND1 HIS A 86 -3.841 -6.099 6.704 1.00 0.00 N ATOM 1294 CD2 HIS A 86 -3.708 -8.057 7.748 1.00 0.00 C ATOM 1295 CE1 HIS A 86 -5.026 -6.404 7.252 1.00 0.00 C ATOM 1296 NE2 HIS A 86 -4.980 -7.585 7.890 1.00 0.00 N ATOM 0 H HIS A 86 -1.791 -10.304 6.399 1.00 0.00 H new ATOM 0 HA HIS A 86 -1.860 -8.576 5.020 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -0.986 -7.064 7.506 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -1.418 -6.252 6.015 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -3.321 -8.986 8.140 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -5.905 -5.780 7.189 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.747 -8.040 8.385 1.00 0.00 H new ATOM 1304 N CYS A 87 0.870 -9.044 4.715 1.00 0.00 N ATOM 1305 CA CYS A 87 2.246 -8.874 4.276 1.00 0.00 C ATOM 1306 C CYS A 87 2.375 -8.775 2.784 1.00 0.00 C ATOM 1307 O CYS A 87 3.480 -8.916 2.229 1.00 0.00 O ATOM 1308 CB CYS A 87 3.091 -10.015 4.806 1.00 0.00 C ATOM 1309 SG CYS A 87 2.308 -11.637 4.677 1.00 0.00 S ATOM 0 H CYS A 87 0.492 -9.983 4.594 1.00 0.00 H new ATOM 0 HA CYS A 87 2.603 -7.926 4.680 1.00 0.00 H new ATOM 0 HB2 CYS A 87 4.036 -10.036 4.263 1.00 0.00 H new ATOM 0 HB3 CYS A 87 3.329 -9.821 5.852 1.00 0.00 H new ATOM 0 HG CYS A 87 2.561 -12.327 5.749 1.00 0.00 H new ATOM 1315 N LEU A 88 1.273 -8.527 2.142 1.00 0.00 N ATOM 1316 CA LEU A 88 1.223 -8.442 0.708 1.00 0.00 C ATOM 1317 C LEU A 88 0.828 -7.096 0.296 1.00 0.00 C ATOM 1318 O LEU A 88 -0.189 -6.578 0.738 1.00 0.00 O ATOM 1319 CB LEU A 88 0.305 -9.489 0.094 1.00 0.00 C ATOM 1320 CG LEU A 88 0.778 -10.903 0.225 1.00 0.00 C ATOM 1321 CD1 LEU A 88 0.082 -11.827 -0.718 1.00 0.00 C ATOM 1322 CD2 LEU A 88 2.235 -11.010 0.035 1.00 0.00 C ATOM 0 H LEU A 88 0.374 -8.376 2.600 1.00 0.00 H new ATOM 0 HA LEU A 88 2.226 -8.649 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.677 -9.406 0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.177 -9.262 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 88 0.530 -11.206 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.462 -12.840 -0.582 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.989 -11.812 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.265 -11.506 -1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.540 -12.051 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.500 -10.651 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.745 -10.407 0.786 1.00 0.00 H new ATOM 1334 N VAL A 89 1.648 -6.516 -0.530 1.00 0.00 N ATOM 1335 CA VAL A 89 1.398 -5.212 -1.073 1.00 0.00 C ATOM 1336 C VAL A 89 1.752 -5.225 -2.543 1.00 0.00 C ATOM 1337 O VAL A 89 2.628 -5.967 -2.963 1.00 0.00 O ATOM 1338 CB VAL A 89 2.231 -4.092 -0.376 1.00 0.00 C ATOM 1339 CG1 VAL A 89 1.893 -3.954 1.094 1.00 0.00 C ATOM 1340 CG2 VAL A 89 3.711 -4.335 -0.551 1.00 0.00 C ATOM 0 H VAL A 89 2.519 -6.939 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 89 0.344 -4.989 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 89 1.965 -3.153 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.499 -3.162 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.837 -3.706 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.099 -4.895 1.605 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.271 -3.541 -0.057 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.977 -5.296 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.955 -4.344 -1.613 1.00 0.00 H new ATOM 1350 N LEU A 90 1.033 -4.506 -3.324 1.00 0.00 N ATOM 1351 CA LEU A 90 1.385 -4.350 -4.698 1.00 0.00 C ATOM 1352 C LEU A 90 1.854 -2.935 -4.892 1.00 0.00 C ATOM 1353 O LEU A 90 1.468 -2.045 -4.141 1.00 0.00 O ATOM 1354 CB LEU A 90 0.189 -4.708 -5.625 1.00 0.00 C ATOM 1355 CG LEU A 90 -0.933 -3.682 -5.755 1.00 0.00 C ATOM 1356 CD1 LEU A 90 -0.607 -2.683 -6.828 1.00 0.00 C ATOM 1357 CD2 LEU A 90 -2.264 -4.331 -6.034 1.00 0.00 C ATOM 0 H LEU A 90 0.189 -4.010 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 90 2.187 -5.036 -4.969 1.00 0.00 H new ATOM 0 HB2 LEU A 90 0.583 -4.904 -6.622 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.247 -5.640 -5.266 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.014 -3.167 -4.798 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.417 -1.958 -6.908 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.319 -2.166 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.486 -3.199 -7.781 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.033 -3.563 -6.119 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -2.207 -4.892 -6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.516 -5.009 -5.218 1.00 0.00 H new ATOM 1369 N SER A 91 2.655 -2.719 -5.862 1.00 0.00 N ATOM 1370 CA SER A 91 3.180 -1.416 -6.121 1.00 0.00 C ATOM 1371 C SER A 91 2.324 -0.714 -7.186 1.00 0.00 C ATOM 1372 O SER A 91 2.030 -1.305 -8.223 1.00 0.00 O ATOM 1373 CB SER A 91 4.598 -1.579 -6.650 1.00 0.00 C ATOM 1374 OG SER A 91 4.570 -2.068 -7.957 1.00 0.00 O ATOM 0 H SER A 91 2.974 -3.439 -6.510 1.00 0.00 H new ATOM 0 HA SER A 91 3.173 -0.819 -5.209 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.117 -0.621 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.157 -2.262 -6.010 1.00 0.00 H new ATOM 0 HG SER A 91 3.642 -2.123 -8.266 1.00 0.00 H new ATOM 1380 N LEU A 92 1.976 0.518 -6.961 1.00 0.00 N ATOM 1381 CA LEU A 92 1.235 1.321 -7.940 1.00 0.00 C ATOM 1382 C LEU A 92 2.205 2.057 -8.855 1.00 0.00 C ATOM 1383 O LEU A 92 1.830 2.953 -9.618 1.00 0.00 O ATOM 1384 CB LEU A 92 0.367 2.318 -7.201 1.00 0.00 C ATOM 1385 CG LEU A 92 -0.801 1.723 -6.436 1.00 0.00 C ATOM 1386 CD1 LEU A 92 -1.300 2.702 -5.439 1.00 0.00 C ATOM 1387 CD2 LEU A 92 -1.916 1.435 -7.377 1.00 0.00 C ATOM 0 H LEU A 92 2.190 1.014 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 92 0.610 0.668 -8.549 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.994 2.871 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.021 3.039 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.465 0.811 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.138 2.270 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.501 2.950 -4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.628 3.607 -5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.755 1.008 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.232 2.359 -7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.579 0.727 -8.134 1.00 0.00 H new ATOM 1399 N ASP A 93 3.439 1.646 -8.791 1.00 0.00 N ATOM 1400 CA ASP A 93 4.510 2.281 -9.522 1.00 0.00 C ATOM 1401 C ASP A 93 5.011 1.365 -10.605 1.00 0.00 C ATOM 1402 O ASP A 93 4.950 1.681 -11.777 1.00 0.00 O ATOM 1403 CB ASP A 93 5.679 2.632 -8.577 1.00 0.00 C ATOM 1404 CG ASP A 93 5.343 3.694 -7.550 1.00 0.00 C ATOM 1405 OD1 ASP A 93 4.714 3.377 -6.533 1.00 0.00 O ATOM 1406 OD2 ASP A 93 5.712 4.884 -7.759 1.00 0.00 O ATOM 0 H ASP A 93 3.738 0.852 -8.225 1.00 0.00 H new ATOM 0 HA ASP A 93 4.121 3.197 -9.967 1.00 0.00 H new ATOM 0 HB2 ASP A 93 5.998 1.728 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 93 6.525 2.973 -9.173 1.00 0.00 H new ATOM 1411 N ASN A 94 5.454 0.201 -10.200 1.00 0.00 N ATOM 1412 CA ASN A 94 6.076 -0.758 -11.116 1.00 0.00 C ATOM 1413 C ASN A 94 5.103 -1.900 -11.389 1.00 0.00 C ATOM 1414 O ASN A 94 5.303 -2.724 -12.283 1.00 0.00 O ATOM 1415 CB ASN A 94 7.385 -1.267 -10.458 1.00 0.00 C ATOM 1416 CG ASN A 94 8.208 -2.254 -11.286 1.00 0.00 C ATOM 1417 OD1 ASN A 94 8.206 -2.239 -12.512 1.00 0.00 O ATOM 1418 ND2 ASN A 94 8.953 -3.086 -10.607 1.00 0.00 N ATOM 0 H ASN A 94 5.400 -0.120 -9.233 1.00 0.00 H new ATOM 0 HA ASN A 94 6.316 -0.294 -12.073 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.012 -0.406 -10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.132 -1.741 -9.510 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.555 -3.748 -11.097 1.00 0.00 H new ATOM 0 HD22 ASN A 94 8.932 -3.074 -9.587 1.00 0.00 H new ATOM 1425 N TRP A 95 4.003 -1.878 -10.641 1.00 0.00 N ATOM 1426 CA TRP A 95 2.974 -2.918 -10.670 1.00 0.00 C ATOM 1427 C TRP A 95 3.528 -4.301 -10.384 1.00 0.00 C ATOM 1428 O TRP A 95 3.385 -5.224 -11.184 1.00 0.00 O ATOM 1429 CB TRP A 95 2.114 -2.890 -11.942 1.00 0.00 C ATOM 1430 CG TRP A 95 1.216 -1.699 -12.014 1.00 0.00 C ATOM 1431 CD1 TRP A 95 1.404 -0.572 -12.748 1.00 0.00 C ATOM 1432 CD2 TRP A 95 -0.015 -1.512 -11.300 1.00 0.00 C ATOM 1433 NE1 TRP A 95 0.358 0.290 -12.552 1.00 0.00 N ATOM 1434 CE2 TRP A 95 -0.517 -0.257 -11.663 1.00 0.00 C ATOM 1435 CE3 TRP A 95 -0.742 -2.288 -10.395 1.00 0.00 C ATOM 1436 CZ2 TRP A 95 -1.708 0.246 -11.153 1.00 0.00 C ATOM 1437 CZ3 TRP A 95 -1.926 -1.785 -9.890 1.00 0.00 C ATOM 1438 CH2 TRP A 95 -2.395 -0.530 -10.271 1.00 0.00 C ATOM 0 H TRP A 95 3.796 -1.124 -9.986 1.00 0.00 H new ATOM 0 HA TRP A 95 2.300 -2.676 -9.848 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.766 -2.899 -12.815 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.510 -3.796 -11.986 1.00 0.00 H new ATOM 0 HD1 TRP A 95 2.252 -0.384 -13.390 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.251 1.199 -13.001 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.386 -3.263 -10.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.075 1.218 -11.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.497 -2.375 -9.188 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -3.324 -0.165 -9.858 1.00 0.00 H new ATOM 1449 N SER A 96 4.231 -4.423 -9.285 1.00 0.00 N ATOM 1450 CA SER A 96 4.677 -5.695 -8.850 1.00 0.00 C ATOM 1451 C SER A 96 3.987 -6.008 -7.562 1.00 0.00 C ATOM 1452 O SER A 96 3.274 -5.159 -7.011 1.00 0.00 O ATOM 1453 CB SER A 96 6.160 -5.685 -8.611 1.00 0.00 C ATOM 1454 OG SER A 96 6.843 -5.099 -9.704 1.00 0.00 O ATOM 0 H SER A 96 4.500 -3.645 -8.683 1.00 0.00 H new ATOM 0 HA SER A 96 4.452 -6.439 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.382 -5.131 -7.699 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.515 -6.704 -8.459 1.00 0.00 H new ATOM 0 HG SER A 96 7.807 -5.101 -9.527 1.00 0.00 H new ATOM 1460 N VAL A 97 4.209 -7.172 -7.081 1.00 0.00 N ATOM 1461 CA VAL A 97 3.719 -7.569 -5.816 1.00 0.00 C ATOM 1462 C VAL A 97 4.905 -7.800 -4.921 1.00 0.00 C ATOM 1463 O VAL A 97 5.935 -8.285 -5.380 1.00 0.00 O ATOM 1464 CB VAL A 97 2.859 -8.849 -5.932 1.00 0.00 C ATOM 1465 CG1 VAL A 97 2.680 -9.506 -4.614 1.00 0.00 C ATOM 1466 CG2 VAL A 97 1.507 -8.517 -6.454 1.00 0.00 C ATOM 0 H VAL A 97 4.747 -7.891 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 97 3.077 -6.792 -5.401 1.00 0.00 H new ATOM 0 HB VAL A 97 3.384 -9.522 -6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.071 -10.402 -4.734 1.00 0.00 H new ATOM 0 HG12 VAL A 97 3.654 -9.781 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 97 2.184 -8.818 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.913 -9.428 -6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.016 -7.819 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.599 -8.060 -7.439 1.00 0.00 H new ATOM 1476 N TRP A 98 4.782 -7.442 -3.690 1.00 0.00 N ATOM 1477 CA TRP A 98 5.812 -7.667 -2.766 1.00 0.00 C ATOM 1478 C TRP A 98 5.241 -8.471 -1.645 1.00 0.00 C ATOM 1479 O TRP A 98 4.124 -8.165 -1.144 1.00 0.00 O ATOM 1480 CB TRP A 98 6.418 -6.382 -2.210 1.00 0.00 C ATOM 1481 CG TRP A 98 7.721 -6.676 -1.574 1.00 0.00 C ATOM 1482 CD1 TRP A 98 7.972 -6.936 -0.255 1.00 0.00 C ATOM 1483 CD2 TRP A 98 8.948 -6.815 -2.258 1.00 0.00 C ATOM 1484 NE1 TRP A 98 9.293 -7.246 -0.088 1.00 0.00 N ATOM 1485 CE2 TRP A 98 9.912 -7.169 -1.315 1.00 0.00 C ATOM 1486 CE3 TRP A 98 9.322 -6.676 -3.600 1.00 0.00 C ATOM 1487 CZ2 TRP A 98 11.223 -7.386 -1.659 1.00 0.00 C ATOM 1488 CZ3 TRP A 98 10.629 -6.888 -3.945 1.00 0.00 C ATOM 1489 CH2 TRP A 98 11.572 -7.247 -2.978 1.00 0.00 C ATOM 0 H TRP A 98 3.956 -6.984 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 98 6.621 -8.188 -3.278 1.00 0.00 H new ATOM 0 HB2 TRP A 98 6.550 -5.655 -3.011 1.00 0.00 H new ATOM 0 HB3 TRP A 98 5.741 -5.935 -1.482 1.00 0.00 H new ATOM 0 HD1 TRP A 98 7.237 -6.902 0.536 1.00 0.00 H new ATOM 0 HE1 TRP A 98 9.742 -7.492 0.794 1.00 0.00 H new ATOM 0 HE3 TRP A 98 8.592 -6.406 -4.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 11.957 -7.658 -0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 10.935 -6.777 -4.975 1.00 0.00 H new ATOM 0 HH2 TRP A 98 12.596 -7.418 -3.275 1.00 0.00 H new ATOM 1500 N CYS A 99 5.957 -9.499 -1.256 1.00 0.00 N ATOM 1501 CA CYS A 99 5.557 -10.278 -0.131 1.00 0.00 C ATOM 1502 C CYS A 99 6.590 -10.082 0.896 1.00 0.00 C ATOM 1503 O CYS A 99 7.703 -10.468 0.683 1.00 0.00 O ATOM 1504 CB CYS A 99 5.405 -11.780 -0.472 1.00 0.00 C ATOM 1505 SG CYS A 99 5.141 -12.838 0.980 1.00 0.00 S ATOM 0 H CYS A 99 6.818 -9.808 -1.708 1.00 0.00 H new ATOM 0 HA CYS A 99 4.575 -9.955 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 99 4.567 -11.904 -1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 99 6.299 -12.116 -0.997 1.00 0.00 H new ATOM 0 HG CYS A 99 5.801 -13.948 0.834 1.00 0.00 H new ATOM 1510 N TYR A 100 6.240 -9.491 1.999 1.00 0.00 N ATOM 1511 CA TYR A 100 7.234 -9.159 3.016 1.00 0.00 C ATOM 1512 C TYR A 100 7.802 -10.390 3.702 1.00 0.00 C ATOM 1513 O TYR A 100 8.955 -10.406 4.099 1.00 0.00 O ATOM 1514 CB TYR A 100 6.672 -8.230 4.065 1.00 0.00 C ATOM 1515 CG TYR A 100 6.282 -6.858 3.593 1.00 0.00 C ATOM 1516 CD1 TYR A 100 7.239 -5.948 3.160 1.00 0.00 C ATOM 1517 CD2 TYR A 100 4.958 -6.457 3.622 1.00 0.00 C ATOM 1518 CE1 TYR A 100 6.884 -4.676 2.762 1.00 0.00 C ATOM 1519 CE2 TYR A 100 4.590 -5.185 3.221 1.00 0.00 C ATOM 1520 CZ TYR A 100 5.562 -4.297 2.792 1.00 0.00 C ATOM 1521 OH TYR A 100 5.209 -3.022 2.400 1.00 0.00 O ATOM 0 H TYR A 100 5.283 -9.224 2.231 1.00 0.00 H new ATOM 0 HA TYR A 100 8.041 -8.657 2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 100 5.795 -8.703 4.507 1.00 0.00 H new ATOM 0 HB3 TYR A 100 7.411 -8.122 4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 100 8.278 -6.242 3.135 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.201 -7.147 3.963 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.640 -3.981 2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.552 -4.887 3.242 1.00 0.00 H new ATOM 0 HH TYR A 100 5.842 -2.701 1.724 1.00 0.00 H new ATOM 1531 N VAL A 101 7.010 -11.426 3.800 1.00 0.00 N ATOM 1532 CA VAL A 101 7.439 -12.623 4.509 1.00 0.00 C ATOM 1533 C VAL A 101 8.299 -13.533 3.600 1.00 0.00 C ATOM 1534 O VAL A 101 9.086 -14.344 4.073 1.00 0.00 O ATOM 1535 CB VAL A 101 6.229 -13.365 5.127 1.00 0.00 C ATOM 1536 CG1 VAL A 101 5.242 -13.709 4.070 1.00 0.00 C ATOM 1537 CG2 VAL A 101 6.644 -14.599 5.925 1.00 0.00 C ATOM 0 H VAL A 101 6.071 -11.474 3.405 1.00 0.00 H new ATOM 0 HA VAL A 101 8.078 -12.322 5.339 1.00 0.00 H new ATOM 0 HB VAL A 101 5.758 -12.687 5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.396 -14.230 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 101 4.892 -12.796 3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 101 5.713 -14.353 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.757 -15.081 6.336 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.166 -15.297 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.305 -14.301 6.739 1.00 0.00 H new ATOM 1547 N CYS A 102 8.166 -13.367 2.290 1.00 0.00 N ATOM 1548 CA CYS A 102 9.044 -14.065 1.384 1.00 0.00 C ATOM 1549 C CYS A 102 10.206 -13.134 1.127 1.00 0.00 C ATOM 1550 O CYS A 102 11.349 -13.540 0.933 1.00 0.00 O ATOM 1551 CB CYS A 102 8.350 -14.361 0.057 1.00 0.00 C ATOM 1552 SG CYS A 102 7.216 -15.757 0.004 1.00 0.00 S ATOM 0 H CYS A 102 7.471 -12.766 1.846 1.00 0.00 H new ATOM 0 HA CYS A 102 9.353 -15.017 1.816 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.799 -13.469 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.121 -14.525 -0.696 1.00 0.00 H new ATOM 0 HG CYS A 102 6.099 -15.388 -0.548 1.00 0.00 H new ATOM 1557 N ASP A 103 9.851 -11.879 1.190 1.00 0.00 N ATOM 1558 CA ASP A 103 10.667 -10.712 0.924 1.00 0.00 C ATOM 1559 C ASP A 103 11.288 -10.772 -0.422 1.00 0.00 C ATOM 1560 O ASP A 103 12.508 -10.878 -0.588 1.00 0.00 O ATOM 1561 CB ASP A 103 11.639 -10.308 2.031 1.00 0.00 C ATOM 1562 CG ASP A 103 12.163 -8.887 1.822 1.00 0.00 C ATOM 1563 OD1 ASP A 103 11.360 -7.912 1.937 1.00 0.00 O ATOM 1564 OD2 ASP A 103 13.382 -8.707 1.590 1.00 0.00 O ATOM 0 H ASP A 103 8.900 -11.618 1.451 1.00 0.00 H new ATOM 0 HA ASP A 103 9.963 -9.880 0.923 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.140 -10.375 2.998 1.00 0.00 H new ATOM 0 HB3 ASP A 103 12.476 -11.006 2.055 1.00 0.00 H new ATOM 1569 N ASN A 104 10.421 -10.798 -1.391 1.00 0.00 N ATOM 1570 CA ASN A 104 10.786 -10.776 -2.730 1.00 0.00 C ATOM 1571 C ASN A 104 9.580 -10.240 -3.492 1.00 0.00 C ATOM 1572 O ASN A 104 8.472 -10.038 -2.890 1.00 0.00 O ATOM 1573 CB ASN A 104 11.115 -12.188 -3.221 1.00 0.00 C ATOM 1574 CG ASN A 104 9.881 -13.019 -3.323 1.00 0.00 C ATOM 1575 OD1 ASN A 104 9.533 -13.739 -2.445 1.00 0.00 O ATOM 1576 ND2 ASN A 104 9.228 -12.910 -4.402 1.00 0.00 N ATOM 0 H ASN A 104 9.413 -10.836 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 104 11.671 -10.158 -2.882 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.603 -12.134 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.820 -12.660 -2.537 1.00 0.00 H new ATOM 0 HD21 ASN A 104 8.374 -13.450 -4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 104 9.556 -12.282 -5.135 1.00 0.00 H new ATOM 1583 N GLU A 105 9.771 -10.079 -4.779 1.00 0.00 N ATOM 1584 CA GLU A 105 8.768 -9.647 -5.698 1.00 0.00 C ATOM 1585 C GLU A 105 7.998 -10.841 -6.223 1.00 0.00 C ATOM 1586 O GLU A 105 8.612 -11.785 -6.698 1.00 0.00 O ATOM 1587 CB GLU A 105 9.485 -9.064 -6.849 1.00 0.00 C ATOM 1588 CG GLU A 105 8.569 -8.376 -7.796 1.00 0.00 C ATOM 1589 CD GLU A 105 9.267 -7.813 -8.997 1.00 0.00 C ATOM 1590 OE1 GLU A 105 9.925 -6.761 -8.902 1.00 0.00 O ATOM 1591 OE2 GLU A 105 9.190 -8.434 -10.069 1.00 0.00 O ATOM 0 H GLU A 105 10.671 -10.255 -5.225 1.00 0.00 H new ATOM 0 HA GLU A 105 8.086 -8.949 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.230 -8.355 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 105 10.023 -9.852 -7.376 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.804 -9.079 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.056 -7.570 -7.272 1.00 0.00 H new ATOM 1598 N VAL A 106 6.702 -10.804 -6.181 1.00 0.00 N ATOM 1599 CA VAL A 106 5.924 -11.933 -6.633 1.00 0.00 C ATOM 1600 C VAL A 106 5.562 -11.760 -8.102 1.00 0.00 C ATOM 1601 O VAL A 106 5.200 -10.658 -8.537 1.00 0.00 O ATOM 1602 CB VAL A 106 4.665 -12.192 -5.768 1.00 0.00 C ATOM 1603 CG1 VAL A 106 4.013 -13.507 -6.174 1.00 0.00 C ATOM 1604 CG2 VAL A 106 5.057 -12.238 -4.300 1.00 0.00 C ATOM 0 H VAL A 106 6.156 -10.012 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 106 6.547 -12.820 -6.519 1.00 0.00 H new ATOM 0 HB VAL A 106 3.951 -11.384 -5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.129 -13.680 -5.560 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.722 -13.460 -7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.720 -14.324 -6.029 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.171 -12.420 -3.692 1.00 0.00 H new ATOM 0 HG22 VAL A 106 5.777 -13.040 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.504 -11.286 -4.013 1.00 0.00 H new ATOM 1614 N GLN A 107 5.692 -12.849 -8.847 1.00 0.00 N ATOM 1615 CA GLN A 107 5.503 -12.869 -10.286 1.00 0.00 C ATOM 1616 C GLN A 107 4.043 -12.721 -10.692 1.00 0.00 C ATOM 1617 O GLN A 107 3.710 -11.818 -11.457 1.00 0.00 O ATOM 1618 CB GLN A 107 6.090 -14.152 -10.924 1.00 0.00 C ATOM 1619 CG GLN A 107 7.619 -14.357 -10.824 1.00 0.00 C ATOM 1620 CD GLN A 107 8.149 -14.577 -9.407 1.00 0.00 C ATOM 1621 OE1 GLN A 107 8.193 -15.698 -8.908 1.00 0.00 O ATOM 1622 NE2 GLN A 107 8.584 -13.545 -8.777 1.00 0.00 N ATOM 0 H GLN A 107 5.937 -13.760 -8.458 1.00 0.00 H new ATOM 0 HA GLN A 107 6.046 -12.003 -10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 107 5.603 -15.011 -10.463 1.00 0.00 H new ATOM 0 HB3 GLN A 107 5.817 -14.160 -11.979 1.00 0.00 H new ATOM 0 HG2 GLN A 107 7.897 -15.215 -11.437 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.116 -13.486 -11.251 1.00 0.00 H new ATOM 0 HE21 GLN A 107 8.537 -12.624 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 107 8.977 -13.647 -7.841 1.00 0.00 H new ATOM 1631 N TYR A 108 3.191 -13.604 -10.150 1.00 0.00 N ATOM 1632 CA TYR A 108 1.744 -13.745 -10.478 1.00 0.00 C ATOM 1633 C TYR A 108 1.448 -13.775 -11.986 1.00 0.00 C ATOM 1634 O TYR A 108 2.362 -13.792 -12.826 1.00 0.00 O ATOM 1635 CB TYR A 108 0.834 -12.754 -9.716 1.00 0.00 C ATOM 1636 CG TYR A 108 1.073 -11.324 -9.977 1.00 0.00 C ATOM 1637 CD1 TYR A 108 1.966 -10.628 -9.219 1.00 0.00 C ATOM 1638 CD2 TYR A 108 0.407 -10.675 -10.982 1.00 0.00 C ATOM 1639 CE1 TYR A 108 2.205 -9.319 -9.446 1.00 0.00 C ATOM 1640 CE2 TYR A 108 0.626 -9.363 -11.227 1.00 0.00 C ATOM 1641 CZ TYR A 108 1.526 -8.673 -10.466 1.00 0.00 C ATOM 1642 OH TYR A 108 1.732 -7.340 -10.723 1.00 0.00 O ATOM 0 H TYR A 108 3.493 -14.272 -9.441 1.00 0.00 H new ATOM 0 HA TYR A 108 1.481 -14.736 -10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.203 -12.980 -9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.952 -12.932 -8.647 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.492 -11.133 -8.422 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.303 -11.218 -11.588 1.00 0.00 H new ATOM 0 HE1 TYR A 108 2.918 -8.781 -8.839 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.091 -8.863 -12.021 1.00 0.00 H new ATOM 0 HH TYR A 108 2.694 -7.165 -10.793 1.00 0.00 H new ATOM 1685 N ASN A 112 -5.076 -17.126 -11.227 1.00 0.00 N ATOM 1686 CA ASN A 112 -4.775 -17.214 -9.773 1.00 0.00 C ATOM 1687 C ASN A 112 -5.016 -15.863 -9.088 1.00 0.00 C ATOM 1688 O ASN A 112 -4.665 -14.802 -9.624 1.00 0.00 O ATOM 1689 CB ASN A 112 -3.362 -17.796 -9.464 1.00 0.00 C ATOM 1690 CG ASN A 112 -3.022 -17.868 -7.970 1.00 0.00 C ATOM 1691 OD1 ASN A 112 -3.892 -18.034 -7.117 1.00 0.00 O ATOM 1692 ND2 ASN A 112 -1.759 -17.757 -7.654 1.00 0.00 N ATOM 0 HA ASN A 112 -5.472 -17.937 -9.349 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -3.294 -18.797 -9.889 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -2.612 -17.185 -9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -1.471 -17.807 -6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -1.061 -17.620 -8.385 1.00 0.00 H new ATOM 1699 N GLN A 113 -5.590 -15.938 -7.899 1.00 0.00 N ATOM 1700 CA GLN A 113 -6.118 -14.812 -7.099 1.00 0.00 C ATOM 1701 C GLN A 113 -5.230 -13.560 -7.074 1.00 0.00 C ATOM 1702 O GLN A 113 -5.740 -12.433 -7.110 1.00 0.00 O ATOM 1703 CB GLN A 113 -6.342 -15.273 -5.662 1.00 0.00 C ATOM 1704 CG GLN A 113 -7.035 -14.245 -4.770 1.00 0.00 C ATOM 1705 CD GLN A 113 -7.061 -14.630 -3.302 1.00 0.00 C ATOM 1706 OE1 GLN A 113 -7.993 -15.272 -2.813 1.00 0.00 O ATOM 1707 NE2 GLN A 113 -6.043 -14.236 -2.591 1.00 0.00 N ATOM 0 H GLN A 113 -5.714 -16.833 -7.426 1.00 0.00 H new ATOM 0 HA GLN A 113 -7.046 -14.520 -7.590 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -6.938 -16.185 -5.675 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -5.378 -15.528 -5.221 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -6.529 -13.285 -4.876 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -8.058 -14.106 -5.118 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -5.289 -13.706 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.000 -14.457 -1.596 1.00 0.00 H new ATOM 1716 N LEU A 114 -3.930 -13.734 -7.066 1.00 0.00 N ATOM 1717 CA LEU A 114 -3.032 -12.602 -6.892 1.00 0.00 C ATOM 1718 C LEU A 114 -3.034 -11.731 -8.124 1.00 0.00 C ATOM 1719 O LEU A 114 -3.236 -10.514 -8.032 1.00 0.00 O ATOM 1720 CB LEU A 114 -1.624 -13.098 -6.582 1.00 0.00 C ATOM 1721 CG LEU A 114 -0.555 -12.041 -6.324 1.00 0.00 C ATOM 1722 CD1 LEU A 114 -0.973 -11.105 -5.205 1.00 0.00 C ATOM 1723 CD2 LEU A 114 0.731 -12.720 -5.954 1.00 0.00 C ATOM 0 H LEU A 114 -3.467 -14.636 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.381 -12.000 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.679 -13.744 -5.706 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -1.293 -13.718 -7.415 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.422 -11.452 -7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -0.193 -10.362 -5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -1.901 -10.603 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -1.126 -11.677 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.499 -11.969 -5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.582 -13.316 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.048 -13.369 -6.771 1.00 0.00 H new ATOM 1735 N GLY A 115 -2.888 -12.358 -9.264 1.00 0.00 N ATOM 1736 CA GLY A 115 -2.900 -11.634 -10.488 1.00 0.00 C ATOM 1737 C GLY A 115 -4.268 -11.096 -10.781 1.00 0.00 C ATOM 1738 O GLY A 115 -4.395 -10.009 -11.335 1.00 0.00 O ATOM 0 H GLY A 115 -2.760 -13.365 -9.359 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -2.186 -10.812 -10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.579 -12.284 -11.302 1.00 0.00 H new ATOM 1742 N GLN A 116 -5.301 -11.858 -10.391 1.00 0.00 N ATOM 1743 CA GLN A 116 -6.700 -11.449 -10.526 1.00 0.00 C ATOM 1744 C GLN A 116 -6.948 -10.179 -9.795 1.00 0.00 C ATOM 1745 O GLN A 116 -7.619 -9.270 -10.294 1.00 0.00 O ATOM 1746 CB GLN A 116 -7.580 -12.450 -9.865 1.00 0.00 C ATOM 1747 CG GLN A 116 -7.430 -13.822 -10.369 1.00 0.00 C ATOM 1748 CD GLN A 116 -8.045 -14.079 -11.704 1.00 0.00 C ATOM 1749 OE1 GLN A 116 -8.140 -13.205 -12.564 1.00 0.00 O ATOM 1750 NE2 GLN A 116 -8.477 -15.282 -11.881 1.00 0.00 N ATOM 0 H GLN A 116 -5.184 -12.780 -9.971 1.00 0.00 H new ATOM 0 HA GLN A 116 -6.905 -11.348 -11.592 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -7.374 -12.445 -8.795 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.618 -12.142 -9.991 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -6.367 -14.057 -10.425 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.871 -14.508 -9.646 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.376 -15.974 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.919 -15.541 -12.763 1.00 0.00 H new ATOM 1759 N VAL A 117 -6.400 -10.095 -8.604 1.00 0.00 N ATOM 1760 CA VAL A 117 -6.648 -8.957 -7.803 1.00 0.00 C ATOM 1761 C VAL A 117 -5.837 -7.786 -8.247 1.00 0.00 C ATOM 1762 O VAL A 117 -6.361 -6.709 -8.347 1.00 0.00 O ATOM 1763 CB VAL A 117 -6.584 -9.233 -6.309 1.00 0.00 C ATOM 1764 CG1 VAL A 117 -6.384 -7.962 -5.513 1.00 0.00 C ATOM 1765 CG2 VAL A 117 -7.878 -9.869 -5.937 1.00 0.00 C ATOM 0 H VAL A 117 -5.790 -10.799 -8.188 1.00 0.00 H new ATOM 0 HA VAL A 117 -7.690 -8.681 -7.965 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.736 -9.880 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -6.343 -8.201 -4.450 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.450 -7.487 -5.814 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.214 -7.281 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.882 -10.088 -4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -8.698 -9.190 -6.171 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -8.003 -10.795 -6.498 1.00 0.00 H new ATOM 1775 N VAL A 118 -4.578 -7.990 -8.545 1.00 0.00 N ATOM 1776 CA VAL A 118 -3.754 -6.915 -9.142 1.00 0.00 C ATOM 1777 C VAL A 118 -4.417 -6.361 -10.394 1.00 0.00 C ATOM 1778 O VAL A 118 -4.452 -5.162 -10.599 1.00 0.00 O ATOM 1779 CB VAL A 118 -2.315 -7.391 -9.490 1.00 0.00 C ATOM 1780 CG1 VAL A 118 -1.532 -6.302 -10.229 1.00 0.00 C ATOM 1781 CG2 VAL A 118 -1.571 -7.772 -8.239 1.00 0.00 C ATOM 0 H VAL A 118 -4.087 -8.871 -8.395 1.00 0.00 H new ATOM 0 HA VAL A 118 -3.675 -6.132 -8.388 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.407 -8.260 -10.141 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.530 -6.666 -10.458 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -2.047 -6.049 -11.156 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -1.461 -5.415 -9.600 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -0.566 -8.103 -8.500 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.508 -6.909 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -2.099 -8.580 -7.733 1.00 0.00 H new ATOM 1791 N ASP A 119 -5.009 -7.236 -11.167 1.00 0.00 N ATOM 1792 CA ASP A 119 -5.696 -6.851 -12.413 1.00 0.00 C ATOM 1793 C ASP A 119 -6.923 -6.019 -12.057 1.00 0.00 C ATOM 1794 O ASP A 119 -7.146 -4.936 -12.602 1.00 0.00 O ATOM 1795 CB ASP A 119 -6.131 -8.106 -13.175 1.00 0.00 C ATOM 1796 CG ASP A 119 -6.810 -7.820 -14.496 1.00 0.00 C ATOM 1797 OD1 ASP A 119 -6.096 -7.668 -15.526 1.00 0.00 O ATOM 1798 OD2 ASP A 119 -8.056 -7.816 -14.554 1.00 0.00 O ATOM 0 H ASP A 119 -5.039 -8.236 -10.968 1.00 0.00 H new ATOM 0 HA ASP A 119 -5.021 -6.271 -13.043 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -5.256 -8.730 -13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -6.810 -8.683 -12.547 1.00 0.00 H new ATOM 1803 N TYR A 120 -7.633 -6.497 -11.058 1.00 0.00 N ATOM 1804 CA TYR A 120 -8.839 -5.864 -10.556 1.00 0.00 C ATOM 1805 C TYR A 120 -8.505 -4.486 -9.968 1.00 0.00 C ATOM 1806 O TYR A 120 -9.108 -3.479 -10.300 1.00 0.00 O ATOM 1807 CB TYR A 120 -9.516 -6.790 -9.513 1.00 0.00 C ATOM 1808 CG TYR A 120 -10.402 -6.098 -8.520 1.00 0.00 C ATOM 1809 CD1 TYR A 120 -11.615 -5.577 -8.883 1.00 0.00 C ATOM 1810 CD2 TYR A 120 -9.989 -5.953 -7.201 1.00 0.00 C ATOM 1811 CE1 TYR A 120 -12.389 -4.919 -7.972 1.00 0.00 C ATOM 1812 CE2 TYR A 120 -10.759 -5.310 -6.283 1.00 0.00 C ATOM 1813 CZ TYR A 120 -11.966 -4.784 -6.677 1.00 0.00 C ATOM 1814 OH TYR A 120 -12.743 -4.092 -5.785 1.00 0.00 O ATOM 0 H TYR A 120 -7.386 -7.353 -10.561 1.00 0.00 H new ATOM 0 HA TYR A 120 -9.543 -5.708 -11.373 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -10.107 -7.536 -10.044 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -8.739 -7.327 -8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -11.962 -5.688 -9.900 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -9.035 -6.360 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -13.339 -4.503 -8.274 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -10.427 -5.214 -5.260 1.00 0.00 H new ATOM 0 HH TYR A 120 -13.558 -3.782 -6.233 1.00 0.00 H new ATOM 1824 N VAL A 121 -7.503 -4.437 -9.183 1.00 0.00 N ATOM 1825 CA VAL A 121 -7.121 -3.228 -8.516 1.00 0.00 C ATOM 1826 C VAL A 121 -6.529 -2.251 -9.523 1.00 0.00 C ATOM 1827 O VAL A 121 -6.665 -1.033 -9.383 1.00 0.00 O ATOM 1828 CB VAL A 121 -6.130 -3.520 -7.361 1.00 0.00 C ATOM 1829 CG1 VAL A 121 -5.608 -2.265 -6.737 1.00 0.00 C ATOM 1830 CG2 VAL A 121 -6.784 -4.382 -6.306 1.00 0.00 C ATOM 0 H VAL A 121 -6.907 -5.238 -8.973 1.00 0.00 H new ATOM 0 HA VAL A 121 -8.007 -2.774 -8.072 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.284 -4.055 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.917 -2.519 -5.933 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -5.087 -1.674 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.439 -1.687 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.073 -4.577 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -7.655 -3.865 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.097 -5.327 -6.751 1.00 0.00 H new ATOM 1840 N ARG A 122 -5.947 -2.787 -10.558 1.00 0.00 N ATOM 1841 CA ARG A 122 -5.437 -1.985 -11.624 1.00 0.00 C ATOM 1842 C ARG A 122 -6.598 -1.359 -12.369 1.00 0.00 C ATOM 1843 O ARG A 122 -6.501 -0.244 -12.837 1.00 0.00 O ATOM 1844 CB ARG A 122 -4.549 -2.817 -12.521 1.00 0.00 C ATOM 1845 CG ARG A 122 -3.723 -2.020 -13.483 1.00 0.00 C ATOM 1846 CD ARG A 122 -2.420 -2.732 -13.739 1.00 0.00 C ATOM 1847 NE ARG A 122 -2.562 -4.114 -14.230 1.00 0.00 N ATOM 1848 CZ ARG A 122 -1.544 -4.990 -14.249 1.00 0.00 C ATOM 1849 NH1 ARG A 122 -0.302 -4.559 -14.058 1.00 0.00 N ATOM 1850 NH2 ARG A 122 -1.755 -6.270 -14.528 1.00 0.00 N ATOM 0 H ARG A 122 -5.815 -3.791 -10.683 1.00 0.00 H new ATOM 0 HA ARG A 122 -4.818 -1.178 -11.233 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -3.884 -3.416 -11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -5.171 -3.512 -13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -4.265 -1.885 -14.419 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -3.533 -1.026 -13.078 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -1.845 -2.159 -14.467 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -1.841 -2.746 -12.815 1.00 0.00 H new ATOM 0 HE ARG A 122 -3.474 -4.419 -14.571 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -0.125 -3.567 -13.898 1.00 0.00 H new ATOM 0 HH12 ARG A 122 0.475 -5.220 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -2.699 -6.599 -14.731 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -0.973 -6.925 -14.539 1.00 0.00 H new ATOM 1864 N LYS A 123 -7.718 -2.069 -12.420 1.00 0.00 N ATOM 1865 CA LYS A 123 -8.960 -1.513 -12.966 1.00 0.00 C ATOM 1866 C LYS A 123 -9.542 -0.484 -11.984 1.00 0.00 C ATOM 1867 O LYS A 123 -10.235 0.447 -12.389 1.00 0.00 O ATOM 1868 CB LYS A 123 -10.022 -2.611 -13.132 1.00 0.00 C ATOM 1869 CG LYS A 123 -9.626 -3.827 -13.943 1.00 0.00 C ATOM 1870 CD LYS A 123 -9.343 -3.494 -15.378 1.00 0.00 C ATOM 1871 CE LYS A 123 -9.042 -4.759 -16.168 1.00 0.00 C ATOM 1872 NZ LYS A 123 -8.873 -4.497 -17.614 1.00 0.00 N ATOM 0 H LYS A 123 -7.797 -3.031 -12.091 1.00 0.00 H new ATOM 0 HA LYS A 123 -8.723 -1.061 -13.929 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -10.321 -2.947 -12.139 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -10.902 -2.165 -13.596 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -8.742 -4.284 -13.498 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -10.425 -4.567 -13.896 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -10.200 -2.981 -15.814 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -8.497 -2.810 -15.439 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -8.135 -5.220 -15.777 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -9.851 -5.475 -16.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -8.670 -5.390 -18.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -9.747 -4.082 -17.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -8.084 -3.835 -17.757 1.00 0.00 H new ATOM 1886 N GLN A 124 -9.257 -0.663 -10.682 1.00 0.00 N ATOM 1887 CA GLN A 124 -9.823 0.248 -9.665 1.00 0.00 C ATOM 1888 C GLN A 124 -9.150 1.570 -9.707 1.00 0.00 C ATOM 1889 O GLN A 124 -9.791 2.623 -9.774 1.00 0.00 O ATOM 1890 CB GLN A 124 -9.744 -0.276 -8.227 1.00 0.00 C ATOM 1891 CG GLN A 124 -10.552 -1.514 -7.934 1.00 0.00 C ATOM 1892 CD GLN A 124 -11.707 -1.706 -8.859 1.00 0.00 C ATOM 1893 OE1 GLN A 124 -12.812 -1.223 -8.633 1.00 0.00 O ATOM 1894 NE2 GLN A 124 -11.459 -2.435 -9.878 1.00 0.00 N ATOM 0 H GLN A 124 -8.659 -1.403 -10.315 1.00 0.00 H new ATOM 0 HA GLN A 124 -10.878 0.328 -9.929 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -8.700 -0.483 -7.993 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.071 0.516 -7.553 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -9.900 -2.386 -7.994 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -10.922 -1.462 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -10.522 -2.812 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.198 -2.640 -10.551 1.00 0.00 H new ATOM 1903 N ALA A 125 -7.851 1.503 -9.643 1.00 0.00 N ATOM 1904 CA ALA A 125 -7.015 2.646 -9.659 1.00 0.00 C ATOM 1905 C ALA A 125 -7.054 3.270 -11.016 1.00 0.00 C ATOM 1906 O ALA A 125 -7.321 4.464 -11.138 1.00 0.00 O ATOM 1907 CB ALA A 125 -5.610 2.227 -9.274 1.00 0.00 C ATOM 0 H ALA A 125 -7.340 0.623 -9.577 1.00 0.00 H new ATOM 0 HA ALA A 125 -7.362 3.389 -8.941 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -4.955 3.098 -9.282 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -5.621 1.791 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.242 1.490 -9.987 1.00 0.00 H new ATOM 1913 N SER A 126 -6.854 2.415 -12.019 1.00 0.00 N ATOM 1914 CA SER A 126 -6.863 2.756 -13.432 1.00 0.00 C ATOM 1915 C SER A 126 -6.214 4.137 -13.684 1.00 0.00 C ATOM 1916 O SER A 126 -4.972 4.237 -13.579 1.00 0.00 O ATOM 1917 CB SER A 126 -8.306 2.634 -13.977 1.00 0.00 C ATOM 1918 OG SER A 126 -8.365 2.696 -15.400 1.00 0.00 O ATOM 1919 OXT SER A 126 -6.927 5.134 -13.952 1.00 0.00 O ATOM 0 H SER A 126 -6.674 1.424 -11.856 1.00 0.00 H new ATOM 0 HA SER A 126 -6.246 2.050 -13.988 1.00 0.00 H new ATOM 0 HB2 SER A 126 -8.738 1.692 -13.640 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.917 3.433 -13.557 1.00 0.00 H new ATOM 0 HG SER A 126 -9.297 2.613 -15.693 1.00 0.00 H new