USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 69 TYR OH : rot 141:sc= 0.518 USER MOD Set 1.2: A 75 THR OG1 : rot 31:sc= 1.57 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 1.05 USER MOD Set 2.2: A 64 LYS NZ :NH3+ 148:sc= 2.19 (180deg=0.47) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -2.13! C(o=-2.6!,f=-2.1!) USER MOD Single : A 25 GLN : amide:sc= -0.473 X(o=-0.47,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.906 USER MOD Single : A 30 SER OG : rot 180:sc= -0.188 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 2.38 (180deg=2.32) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= -0.0961 (180deg=-0.535) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0271 (180deg=-0.176) USER MOD Single : A 48 ASN : amide:sc= -1.06! C(o=-1.1!,f=-3.7!) USER MOD Single : A 62 GLN : amide:sc= -5.6! C(o=-5.6!,f=-7.7!) USER MOD Single : A 73 GLN : amide:sc= -0.684! X(o=-0.68!,f=-0.32) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.691 F(o=-1.5!,f=-0.69) USER MOD Single : A 80 ASN : amide:sc= 1.07 K(o=1.1,f=-0.25) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 83 SER OG : rot 180:sc= 0.027 USER MOD Single : A 86 GLN : amide:sc= -1.32 X(o=-1.3,f=-0.82) USER MOD Single : A 88 THR OG1 : rot 8:sc= 0.369 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 160:sc= -0.343! USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.607 -11.905 -1.640 1.00 0.00 N ATOM 2 CA GLY A 15 3.340 -12.219 -2.865 1.00 0.00 C ATOM 3 C GLY A 15 4.672 -11.542 -2.881 1.00 0.00 C ATOM 4 O GLY A 15 5.365 -11.536 -3.889 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.475 -13.298 -2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.758 -11.905 -3.732 1.00 0.00 H new ATOM 8 N LEU A 16 5.052 -10.988 -1.754 1.00 0.00 N ATOM 9 CA LEU A 16 6.252 -10.223 -1.656 1.00 0.00 C ATOM 10 C LEU A 16 6.789 -10.252 -0.252 1.00 0.00 C ATOM 11 O LEU A 16 6.356 -11.055 0.560 1.00 0.00 O ATOM 12 CB LEU A 16 6.078 -8.766 -2.164 1.00 0.00 C ATOM 13 CG LEU A 16 4.840 -7.930 -1.766 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.397 -8.171 -0.359 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.188 -6.474 -1.895 1.00 0.00 C ATOM 0 H LEU A 16 4.529 -11.061 -0.881 1.00 0.00 H new ATOM 0 HA LEU A 16 6.982 -10.692 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.958 -8.208 -1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.103 -8.802 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 16 4.026 -8.225 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.525 -7.555 -0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.139 -9.223 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.204 -7.912 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.325 -5.868 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.023 -6.240 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.468 -6.257 -2.926 1.00 0.00 H new ATOM 27 N ARG A 17 7.696 -9.361 0.038 1.00 0.00 N ATOM 28 CA ARG A 17 8.327 -9.342 1.316 1.00 0.00 C ATOM 29 C ARG A 17 7.851 -8.193 2.178 1.00 0.00 C ATOM 30 O ARG A 17 7.891 -8.305 3.405 1.00 0.00 O ATOM 31 CB ARG A 17 9.832 -9.278 1.145 1.00 0.00 C ATOM 32 CG ARG A 17 10.391 -10.450 0.379 1.00 0.00 C ATOM 33 CD ARG A 17 11.890 -10.334 0.177 1.00 0.00 C ATOM 34 NE ARG A 17 12.616 -10.184 1.436 1.00 0.00 N ATOM 35 CZ ARG A 17 13.425 -11.096 1.961 1.00 0.00 C ATOM 36 NH1 ARG A 17 13.426 -12.328 1.492 1.00 0.00 N ATOM 37 NH2 ARG A 17 14.183 -10.790 3.004 1.00 0.00 N ATOM 0 H ARG A 17 8.013 -8.635 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 17 8.052 -10.263 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.094 -8.355 0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.302 -9.237 2.128 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.168 -11.373 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.899 -10.517 -0.591 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.252 -11.220 -0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.101 -9.478 -0.464 1.00 0.00 H new ATOM 0 HE ARG A 17 12.492 -9.312 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.804 -12.582 0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.048 -13.027 1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 17 14.145 -9.853 3.404 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.804 -11.492 3.406 1.00 0.00 H new ATOM 51 N GLU A 18 7.384 -7.085 1.567 1.00 0.00 N ATOM 52 CA GLU A 18 7.032 -5.907 2.414 1.00 0.00 C ATOM 53 C GLU A 18 6.074 -4.901 1.702 1.00 0.00 C ATOM 54 O GLU A 18 6.333 -4.555 0.537 1.00 0.00 O ATOM 55 CB GLU A 18 8.360 -5.164 2.666 1.00 0.00 C ATOM 56 CG GLU A 18 8.361 -4.080 3.721 1.00 0.00 C ATOM 57 CD GLU A 18 8.259 -4.628 5.116 1.00 0.00 C ATOM 58 OE1 GLU A 18 9.110 -5.446 5.505 1.00 0.00 O ATOM 59 OE2 GLU A 18 7.390 -4.209 5.875 1.00 0.00 O ATOM 0 H GLU A 18 7.245 -6.972 0.563 1.00 0.00 H new ATOM 0 HA GLU A 18 6.527 -6.260 3.313 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.113 -5.903 2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.681 -4.718 1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.275 -3.493 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.527 -3.402 3.540 1.00 0.00 H new ATOM 66 N ILE A 19 4.954 -4.457 2.376 1.00 0.00 N ATOM 67 CA ILE A 19 4.216 -3.279 1.913 1.00 0.00 C ATOM 68 C ILE A 19 4.121 -2.285 3.053 1.00 0.00 C ATOM 69 O ILE A 19 3.643 -2.597 4.150 1.00 0.00 O ATOM 70 CB ILE A 19 2.797 -3.590 1.336 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.897 -4.214 -0.049 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.885 -2.348 1.308 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.428 -3.280 -1.110 1.00 0.00 C ATOM 0 H ILE A 19 4.573 -4.899 3.213 1.00 0.00 H new ATOM 0 HA ILE A 19 4.775 -2.863 1.075 1.00 0.00 H new ATOM 0 HB ILE A 19 2.335 -4.310 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.543 -5.090 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.910 -4.564 -0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.912 -2.620 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.758 -1.967 2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.339 -1.578 0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.468 -3.801 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.770 -2.415 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.429 -2.949 -0.835 1.00 0.00 H new ATOM 85 N ARG A 20 4.599 -1.120 2.815 1.00 0.00 N ATOM 86 CA ARG A 20 4.591 -0.094 3.803 1.00 0.00 C ATOM 87 C ARG A 20 3.930 1.131 3.269 1.00 0.00 C ATOM 88 O ARG A 20 4.418 1.770 2.337 1.00 0.00 O ATOM 89 CB ARG A 20 5.995 0.220 4.308 1.00 0.00 C ATOM 90 CG ARG A 20 6.647 -0.938 5.026 1.00 0.00 C ATOM 91 CD ARG A 20 8.030 -0.591 5.514 1.00 0.00 C ATOM 92 NE ARG A 20 8.633 -1.711 6.225 1.00 0.00 N ATOM 93 CZ ARG A 20 9.882 -1.751 6.685 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.742 -0.782 6.389 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.289 -2.786 7.405 1.00 0.00 N ATOM 0 H ARG A 20 5.011 -0.844 1.924 1.00 0.00 H new ATOM 0 HA ARG A 20 4.019 -0.458 4.656 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.620 0.513 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.948 1.076 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.028 -1.235 5.872 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.703 -1.795 4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.658 -0.313 4.668 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.980 0.276 6.172 1.00 0.00 H new ATOM 0 HE ARG A 20 8.050 -2.533 6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.447 0.001 5.805 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.697 -0.821 6.746 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.646 -3.552 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.246 -2.817 7.758 1.00 0.00 H new ATOM 109 N ILE A 21 2.829 1.451 3.831 1.00 0.00 N ATOM 110 CA ILE A 21 2.115 2.612 3.437 1.00 0.00 C ATOM 111 C ILE A 21 2.722 3.758 4.120 1.00 0.00 C ATOM 112 O ILE A 21 2.969 3.693 5.293 1.00 0.00 O ATOM 113 CB ILE A 21 0.674 2.632 3.919 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.286 1.374 4.706 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.269 2.891 2.753 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.989 1.536 5.478 1.00 0.00 C ATOM 0 H ILE A 21 2.391 0.916 4.581 1.00 0.00 H new ATOM 0 HA ILE A 21 2.147 2.636 2.348 1.00 0.00 H new ATOM 0 HB ILE A 21 0.580 3.455 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.182 0.537 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.092 1.120 5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.298 2.903 3.113 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.032 3.854 2.300 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.154 2.102 2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.210 0.613 6.014 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.881 2.353 6.192 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.805 1.761 4.791 1.00 0.00 H new ATOM 128 N HIS A 22 2.992 4.765 3.425 1.00 0.00 N ATOM 129 CA HIS A 22 3.388 5.968 4.057 1.00 0.00 C ATOM 130 C HIS A 22 2.115 6.784 4.177 1.00 0.00 C ATOM 131 O HIS A 22 1.490 7.093 3.162 1.00 0.00 O ATOM 132 CB HIS A 22 4.505 6.673 3.242 1.00 0.00 C ATOM 133 CG HIS A 22 5.808 5.876 3.205 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.426 5.172 4.180 1.00 0.00 N flip ATOM 135 CD2 HIS A 22 6.630 5.745 2.085 1.00 0.00 C flip ATOM 136 CE1 HIS A 22 7.566 4.641 3.653 1.00 0.00 C flip ATOM 137 NE2 HIS A 22 7.676 4.990 2.406 1.00 0.00 N flip ATOM 0 H HIS A 22 2.951 4.800 2.406 1.00 0.00 H new ATOM 0 HA HIS A 22 3.829 5.811 5.042 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.156 6.836 2.222 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.698 7.655 3.674 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.446 6.185 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.271 4.024 4.190 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.437 4.729 1.779 1.00 0.00 H new ATOM 146 N LEU A 23 1.731 7.100 5.401 1.00 0.00 N ATOM 147 CA LEU A 23 0.452 7.709 5.684 1.00 0.00 C ATOM 148 C LEU A 23 0.581 8.949 6.575 1.00 0.00 C ATOM 149 O LEU A 23 1.290 8.935 7.596 1.00 0.00 O ATOM 150 CB LEU A 23 -0.451 6.688 6.400 1.00 0.00 C ATOM 151 CG LEU A 23 -1.848 7.188 6.801 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.683 7.538 5.576 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.554 6.162 7.667 1.00 0.00 C ATOM 0 H LEU A 23 2.304 6.939 6.229 1.00 0.00 H new ATOM 0 HA LEU A 23 0.023 8.018 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.570 5.820 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.062 6.346 7.299 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.724 8.100 7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.665 7.888 5.893 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.184 8.323 5.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.798 6.654 4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.541 6.534 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.659 5.229 7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.970 5.985 8.570 1.00 0.00 H new ATOM 165 N CYS A 24 -0.101 9.994 6.179 1.00 0.00 N ATOM 166 CA CYS A 24 -0.222 11.239 6.912 1.00 0.00 C ATOM 167 C CYS A 24 -1.447 11.976 6.411 1.00 0.00 C ATOM 168 O CYS A 24 -2.156 11.497 5.536 1.00 0.00 O ATOM 169 CB CYS A 24 0.968 12.182 6.650 1.00 0.00 C ATOM 170 SG CYS A 24 2.601 11.674 7.238 1.00 0.00 S ATOM 0 H CYS A 24 -0.612 10.005 5.297 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.272 10.987 7.971 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.036 12.343 5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.736 13.146 7.102 1.00 0.00 H new ATOM 175 N GLN A 25 -1.700 13.110 6.996 1.00 0.00 N ATOM 176 CA GLN A 25 -2.615 14.081 6.472 1.00 0.00 C ATOM 177 C GLN A 25 -1.889 15.404 6.533 1.00 0.00 C ATOM 178 O GLN A 25 -1.941 16.113 7.533 1.00 0.00 O ATOM 179 CB GLN A 25 -3.964 14.117 7.218 1.00 0.00 C ATOM 180 CG GLN A 25 -4.812 12.859 7.021 1.00 0.00 C ATOM 181 CD GLN A 25 -6.198 12.948 7.644 1.00 0.00 C ATOM 182 OE1 GLN A 25 -7.156 12.353 7.139 1.00 0.00 O ATOM 183 NE2 GLN A 25 -6.319 13.640 8.743 1.00 0.00 N ATOM 0 H GLN A 25 -1.264 13.392 7.874 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.895 13.826 5.450 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.776 14.254 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.532 14.984 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.916 12.666 5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.285 12.006 7.450 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.509 14.120 9.135 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.224 13.701 9.210 1.00 0.00 H new ATOM 192 N ARG A 26 -1.120 15.678 5.496 1.00 0.00 N ATOM 193 CA ARG A 26 -0.236 16.827 5.492 1.00 0.00 C ATOM 194 C ARG A 26 -0.249 17.448 4.103 1.00 0.00 C ATOM 195 O ARG A 26 -0.749 18.540 3.920 1.00 0.00 O ATOM 196 CB ARG A 26 1.182 16.363 5.915 1.00 0.00 C ATOM 197 CG ARG A 26 2.123 17.454 6.432 1.00 0.00 C ATOM 198 CD ARG A 26 2.662 18.387 5.352 1.00 0.00 C ATOM 199 NE ARG A 26 3.528 17.696 4.381 1.00 0.00 N ATOM 200 CZ ARG A 26 4.838 17.455 4.558 1.00 0.00 C ATOM 201 NH1 ARG A 26 5.417 17.702 5.733 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.558 16.941 3.574 1.00 0.00 N ATOM 0 H ARG A 26 -1.090 15.119 4.644 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.565 17.587 6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 26 1.077 15.605 6.691 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.654 15.880 5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.595 18.048 7.178 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.964 16.981 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.826 18.846 4.824 1.00 0.00 H new ATOM 0 HD3 ARG A 26 3.223 19.194 5.823 1.00 0.00 H new ATOM 0 HE ARG A 26 3.102 17.377 3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.865 18.076 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.412 17.517 5.860 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.119 16.727 2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.552 16.759 3.711 1.00 0.00 H new ATOM 216 N SER A 27 0.286 16.749 3.135 1.00 0.00 N ATOM 217 CA SER A 27 0.214 17.196 1.769 1.00 0.00 C ATOM 218 C SER A 27 -0.867 16.350 1.082 1.00 0.00 C ATOM 219 O SER A 27 -1.441 15.494 1.777 1.00 0.00 O ATOM 220 CB SER A 27 1.594 17.032 1.129 1.00 0.00 C ATOM 221 OG SER A 27 2.556 17.814 1.826 1.00 0.00 O ATOM 0 H SER A 27 0.778 15.865 3.269 1.00 0.00 H new ATOM 0 HA SER A 27 -0.055 18.248 1.678 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.888 15.982 1.145 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.556 17.337 0.083 1.00 0.00 H new ATOM 0 HG SER A 27 3.435 17.700 1.408 1.00 0.00 H new ATOM 227 N PRO A 28 -1.213 16.610 -0.236 1.00 0.00 N ATOM 228 CA PRO A 28 -2.201 15.821 -1.000 1.00 0.00 C ATOM 229 C PRO A 28 -2.193 14.337 -0.642 1.00 0.00 C ATOM 230 O PRO A 28 -1.275 13.592 -1.019 1.00 0.00 O ATOM 231 CB PRO A 28 -1.737 16.026 -2.433 1.00 0.00 C ATOM 232 CG PRO A 28 -1.247 17.427 -2.455 1.00 0.00 C ATOM 233 CD PRO A 28 -0.704 17.724 -1.070 1.00 0.00 C ATOM 0 HA PRO A 28 -3.225 16.138 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.948 15.323 -2.702 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.552 15.877 -3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.471 17.553 -3.210 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.054 18.115 -2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.385 17.758 -1.068 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.054 18.689 -0.703 1.00 0.00 H new ATOM 241 N GLY A 29 -3.187 13.941 0.129 1.00 0.00 N ATOM 242 CA GLY A 29 -3.286 12.595 0.603 1.00 0.00 C ATOM 243 C GLY A 29 -3.845 11.669 -0.425 1.00 0.00 C ATOM 244 O GLY A 29 -3.501 11.755 -1.593 1.00 0.00 O ATOM 0 H GLY A 29 -3.943 14.551 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.299 12.245 0.904 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.917 12.571 1.491 1.00 0.00 H new ATOM 248 N SER A 30 -4.681 10.769 -0.014 1.00 0.00 N ATOM 249 CA SER A 30 -5.293 9.880 -0.931 1.00 0.00 C ATOM 250 C SER A 30 -6.465 9.210 -0.286 1.00 0.00 C ATOM 251 O SER A 30 -6.471 8.879 0.917 1.00 0.00 O ATOM 252 CB SER A 30 -4.312 8.818 -1.407 1.00 0.00 C ATOM 253 OG SER A 30 -4.817 8.037 -2.473 1.00 0.00 O ATOM 0 H SER A 30 -4.953 10.635 0.960 1.00 0.00 H new ATOM 0 HA SER A 30 -5.623 10.462 -1.792 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.388 9.301 -1.724 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.060 8.164 -0.572 1.00 0.00 H new ATOM 0 HG SER A 30 -4.146 7.374 -2.739 1.00 0.00 H new ATOM 259 N GLN A 31 -7.393 8.938 -1.095 1.00 0.00 N ATOM 260 CA GLN A 31 -8.593 8.284 -0.693 1.00 0.00 C ATOM 261 C GLN A 31 -8.348 6.848 -0.930 1.00 0.00 C ATOM 262 O GLN A 31 -8.958 5.993 -0.323 1.00 0.00 O ATOM 263 CB GLN A 31 -9.840 8.784 -1.441 1.00 0.00 C ATOM 264 CG GLN A 31 -9.867 8.496 -2.933 1.00 0.00 C ATOM 265 CD GLN A 31 -11.145 8.966 -3.577 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.196 9.008 -2.939 1.00 0.00 O ATOM 267 NE2 GLN A 31 -11.082 9.313 -4.830 1.00 0.00 N ATOM 0 H GLN A 31 -7.357 9.163 -2.089 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.815 8.496 0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.721 8.332 -0.985 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.922 9.861 -1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.019 8.985 -3.412 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.751 7.425 -3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.193 9.266 -5.328 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.921 9.632 -5.314 1.00 0.00 H new ATOM 276 N GLY A 32 -7.399 6.610 -1.848 1.00 0.00 N ATOM 277 CA GLY A 32 -6.905 5.320 -2.092 1.00 0.00 C ATOM 278 C GLY A 32 -6.319 4.815 -0.842 1.00 0.00 C ATOM 279 O GLY A 32 -6.701 3.745 -0.379 1.00 0.00 O ATOM 0 H GLY A 32 -6.975 7.336 -2.425 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.706 4.663 -2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.155 5.342 -2.883 1.00 0.00 H new ATOM 283 N VAL A 33 -5.469 5.654 -0.207 1.00 0.00 N ATOM 284 CA VAL A 33 -4.908 5.221 1.066 1.00 0.00 C ATOM 285 C VAL A 33 -5.969 5.143 2.093 1.00 0.00 C ATOM 286 O VAL A 33 -6.236 4.086 2.535 1.00 0.00 O ATOM 287 CB VAL A 33 -3.632 5.950 1.642 1.00 0.00 C ATOM 288 CG1 VAL A 33 -2.385 5.554 0.913 1.00 0.00 C ATOM 289 CG2 VAL A 33 -3.761 7.457 1.682 1.00 0.00 C ATOM 0 H VAL A 33 -5.178 6.574 -0.538 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.501 4.243 0.809 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.555 5.612 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.531 6.079 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.235 4.479 1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.481 5.816 -0.141 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.847 7.890 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.923 7.835 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.606 7.733 2.313 1.00 0.00 H new ATOM 299 N ARG A 34 -6.593 6.282 2.421 1.00 0.00 N ATOM 300 CA ARG A 34 -7.682 6.398 3.427 1.00 0.00 C ATOM 301 C ARG A 34 -8.579 5.185 3.431 1.00 0.00 C ATOM 302 O ARG A 34 -8.659 4.459 4.401 1.00 0.00 O ATOM 303 CB ARG A 34 -8.579 7.581 3.109 1.00 0.00 C ATOM 304 CG ARG A 34 -9.597 7.852 4.208 1.00 0.00 C ATOM 305 CD ARG A 34 -10.672 8.829 3.784 1.00 0.00 C ATOM 306 NE ARG A 34 -10.154 10.152 3.435 1.00 0.00 N ATOM 307 CZ ARG A 34 -10.447 11.267 4.108 1.00 0.00 C ATOM 308 NH1 ARG A 34 -11.020 11.197 5.294 1.00 0.00 N ATOM 309 NH2 ARG A 34 -10.121 12.449 3.612 1.00 0.00 N ATOM 0 H ARG A 34 -6.356 7.175 1.990 1.00 0.00 H new ATOM 0 HA ARG A 34 -7.187 6.510 4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.965 8.469 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.102 7.394 2.171 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.063 6.912 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.082 8.244 5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.207 8.419 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.397 8.933 4.592 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.532 10.227 2.630 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.241 10.288 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.242 12.052 5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.644 12.511 2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.346 13.299 4.129 1.00 0.00 H new ATOM 323 N ASP A 35 -9.220 4.974 2.326 1.00 0.00 N ATOM 324 CA ASP A 35 -10.150 3.876 2.167 1.00 0.00 C ATOM 325 C ASP A 35 -9.484 2.552 2.327 1.00 0.00 C ATOM 326 O ASP A 35 -10.037 1.680 2.955 1.00 0.00 O ATOM 327 CB ASP A 35 -10.906 3.962 0.860 1.00 0.00 C ATOM 328 CG ASP A 35 -12.038 4.962 0.870 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.402 5.469 1.954 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.607 5.257 -0.205 1.00 0.00 O ATOM 0 H ASP A 35 -9.120 5.557 1.495 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.881 3.966 2.970 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.208 4.226 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.307 2.978 0.618 1.00 0.00 H new ATOM 335 N PHE A 36 -8.315 2.392 1.784 1.00 0.00 N ATOM 336 CA PHE A 36 -7.550 1.194 2.030 1.00 0.00 C ATOM 337 C PHE A 36 -7.318 1.036 3.543 1.00 0.00 C ATOM 338 O PHE A 36 -7.861 0.125 4.147 1.00 0.00 O ATOM 339 CB PHE A 36 -6.279 1.227 1.134 1.00 0.00 C ATOM 340 CG PHE A 36 -4.970 0.639 1.604 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.253 1.242 2.620 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.398 -0.449 0.951 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.023 0.763 2.984 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.151 -0.908 1.302 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.464 -0.304 2.322 1.00 0.00 C ATOM 0 H PHE A 36 -7.866 3.070 1.169 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.080 0.286 1.743 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.535 0.725 0.201 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.088 2.273 0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.667 2.099 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.942 -0.939 0.157 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.487 1.228 3.799 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.714 -1.743 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.486 -0.665 2.605 1.00 0.00 H new ATOM 355 N ILE A 37 -6.727 2.055 4.124 1.00 0.00 N ATOM 356 CA ILE A 37 -6.316 2.131 5.558 1.00 0.00 C ATOM 357 C ILE A 37 -7.538 1.850 6.486 1.00 0.00 C ATOM 358 O ILE A 37 -7.415 1.288 7.561 1.00 0.00 O ATOM 359 CB ILE A 37 -5.873 3.600 5.995 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.904 4.392 5.069 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.361 3.647 7.427 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.563 3.799 4.799 1.00 0.00 C ATOM 0 H ILE A 37 -6.497 2.905 3.610 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.502 1.412 5.653 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.820 4.130 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.403 4.542 4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.752 5.378 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.072 4.668 7.677 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.147 3.316 8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.496 2.991 7.526 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.999 4.460 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.024 3.676 5.738 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.685 2.827 4.321 1.00 0.00 H new ATOM 374 N GLU A 38 -8.679 2.298 6.049 1.00 0.00 N ATOM 375 CA GLU A 38 -9.863 2.393 6.868 1.00 0.00 C ATOM 376 C GLU A 38 -10.886 1.335 6.537 1.00 0.00 C ATOM 377 O GLU A 38 -11.243 0.495 7.359 1.00 0.00 O ATOM 378 CB GLU A 38 -10.441 3.803 6.713 1.00 0.00 C ATOM 379 CG GLU A 38 -11.750 4.054 7.394 1.00 0.00 C ATOM 380 CD GLU A 38 -12.214 5.467 7.204 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.597 6.400 7.759 1.00 0.00 O ATOM 382 OE2 GLU A 38 -13.220 5.674 6.498 1.00 0.00 O ATOM 0 H GLU A 38 -8.820 2.616 5.090 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.588 2.214 7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.712 4.517 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.562 4.010 5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.501 3.369 7.001 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.652 3.844 8.459 1.00 0.00 H new ATOM 389 N LYS A 39 -11.342 1.381 5.314 1.00 0.00 N ATOM 390 CA LYS A 39 -12.413 0.540 4.845 1.00 0.00 C ATOM 391 C LYS A 39 -11.892 -0.848 4.592 1.00 0.00 C ATOM 392 O LYS A 39 -12.560 -1.847 4.889 1.00 0.00 O ATOM 393 CB LYS A 39 -12.960 1.052 3.492 1.00 0.00 C ATOM 394 CG LYS A 39 -13.377 2.524 3.401 1.00 0.00 C ATOM 395 CD LYS A 39 -14.490 2.894 4.353 1.00 0.00 C ATOM 396 CE LYS A 39 -15.079 4.270 4.015 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.078 5.363 4.024 1.00 0.00 N ATOM 0 H LYS A 39 -10.975 2.014 4.603 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.194 0.548 5.606 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.198 0.872 2.733 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.824 0.442 3.228 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -12.510 3.152 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.694 2.741 2.381 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.275 2.139 4.309 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.111 2.900 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.546 4.224 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.867 4.504 4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.526 6.246 3.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.710 5.489 4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.295 5.122 3.384 1.00 0.00 H new ATOM 411 N ARG A 40 -10.681 -0.921 4.078 1.00 0.00 N ATOM 412 CA ARG A 40 -10.206 -2.149 3.564 1.00 0.00 C ATOM 413 C ARG A 40 -9.220 -2.813 4.503 1.00 0.00 C ATOM 414 O ARG A 40 -9.117 -3.966 4.481 1.00 0.00 O ATOM 415 CB ARG A 40 -9.576 -1.870 2.195 1.00 0.00 C ATOM 416 CG ARG A 40 -9.083 -3.072 1.418 1.00 0.00 C ATOM 417 CD ARG A 40 -10.202 -3.964 0.904 1.00 0.00 C ATOM 418 NE ARG A 40 -9.674 -4.980 -0.033 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.325 -6.074 -0.465 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.600 -6.265 -0.155 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.719 -6.941 -1.264 1.00 0.00 N ATOM 0 H ARG A 40 -10.027 -0.141 4.014 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.035 -2.849 3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.310 -1.346 1.583 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.737 -1.190 2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.486 -2.728 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.424 -3.661 2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.695 -4.457 1.742 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.956 -3.357 0.403 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.727 -4.837 -0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.094 -5.579 0.415 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.086 -7.098 -0.487 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.754 -6.780 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.217 -7.770 -1.589 1.00 0.00 H new ATOM 435 N TYR A 41 -8.601 -2.054 5.383 1.00 0.00 N ATOM 436 CA TYR A 41 -7.442 -2.509 6.260 1.00 0.00 C ATOM 437 C TYR A 41 -7.435 -3.975 6.727 1.00 0.00 C ATOM 438 O TYR A 41 -6.526 -4.723 6.388 1.00 0.00 O ATOM 439 CB TYR A 41 -7.421 -1.656 7.488 1.00 0.00 C ATOM 440 CG TYR A 41 -6.236 -1.812 8.400 1.00 0.00 C ATOM 441 CD1 TYR A 41 -5.001 -1.286 8.074 1.00 0.00 C ATOM 442 CD2 TYR A 41 -6.374 -2.469 9.613 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.934 -1.411 8.931 1.00 0.00 C ATOM 444 CE2 TYR A 41 -5.321 -2.606 10.472 1.00 0.00 C ATOM 445 CZ TYR A 41 -4.096 -2.074 10.133 1.00 0.00 C ATOM 446 OH TYR A 41 -3.028 -2.195 11.009 1.00 0.00 O ATOM 0 H TYR A 41 -8.862 -1.081 5.543 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.569 -2.411 5.615 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.476 -0.612 7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.323 -1.866 8.063 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.872 -0.770 7.134 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.335 -2.881 9.884 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.974 -0.993 8.667 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.448 -3.127 11.409 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.313 -2.688 11.807 1.00 0.00 H new ATOM 456 N VAL A 42 -8.365 -4.362 7.515 1.00 0.00 N ATOM 457 CA VAL A 42 -8.347 -5.713 8.045 1.00 0.00 C ATOM 458 C VAL A 42 -8.616 -6.749 6.930 1.00 0.00 C ATOM 459 O VAL A 42 -7.982 -7.820 6.860 1.00 0.00 O ATOM 460 CB VAL A 42 -9.280 -5.823 9.267 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.600 -5.149 8.979 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.455 -7.266 9.720 1.00 0.00 C ATOM 0 H VAL A 42 -9.150 -3.786 7.818 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.350 -5.951 8.415 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.813 -5.300 10.102 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.250 -5.234 9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.430 -4.096 8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.075 -5.630 8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.120 -7.298 10.583 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.886 -7.852 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.485 -7.682 9.993 1.00 0.00 H new ATOM 472 N GLU A 43 -9.452 -6.354 6.006 1.00 0.00 N ATOM 473 CA GLU A 43 -9.752 -7.118 4.811 1.00 0.00 C ATOM 474 C GLU A 43 -8.511 -7.076 3.898 1.00 0.00 C ATOM 475 O GLU A 43 -8.302 -7.944 3.146 1.00 0.00 O ATOM 476 CB GLU A 43 -10.954 -6.459 4.114 1.00 0.00 C ATOM 477 CG GLU A 43 -11.523 -7.180 2.912 1.00 0.00 C ATOM 478 CD GLU A 43 -12.339 -8.387 3.264 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.472 -8.225 3.761 1.00 0.00 O ATOM 480 OE2 GLU A 43 -11.914 -9.516 2.982 1.00 0.00 O ATOM 0 H GLU A 43 -9.959 -5.470 6.060 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.995 -8.155 5.044 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.751 -6.342 4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.659 -5.457 3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -12.143 -6.487 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.704 -7.484 2.260 1.00 0.00 H new ATOM 487 N LEU A 44 -7.684 -6.060 4.040 1.00 0.00 N ATOM 488 CA LEU A 44 -6.487 -5.900 3.276 1.00 0.00 C ATOM 489 C LEU A 44 -5.445 -6.854 3.781 1.00 0.00 C ATOM 490 O LEU A 44 -4.747 -7.491 3.004 1.00 0.00 O ATOM 491 CB LEU A 44 -6.081 -4.441 3.433 1.00 0.00 C ATOM 492 CG LEU A 44 -4.650 -4.048 3.249 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.222 -4.165 1.829 1.00 0.00 C ATOM 494 CD2 LEU A 44 -4.444 -2.661 3.795 1.00 0.00 C ATOM 0 H LEU A 44 -7.840 -5.308 4.711 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.621 -6.128 2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.672 -3.860 2.725 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.380 -4.125 4.433 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.017 -4.738 3.806 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.177 -3.870 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.338 -5.197 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.837 -3.514 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.402 -2.369 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.087 -1.961 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.694 -2.647 4.856 1.00 0.00 H new ATOM 506 N LYS A 45 -5.394 -6.983 5.074 1.00 0.00 N ATOM 507 CA LYS A 45 -4.473 -7.868 5.708 1.00 0.00 C ATOM 508 C LYS A 45 -4.862 -9.318 5.385 1.00 0.00 C ATOM 509 O LYS A 45 -4.000 -10.175 5.189 1.00 0.00 O ATOM 510 CB LYS A 45 -4.520 -7.656 7.220 1.00 0.00 C ATOM 511 CG LYS A 45 -3.374 -8.295 7.988 1.00 0.00 C ATOM 512 CD LYS A 45 -3.660 -8.323 9.482 1.00 0.00 C ATOM 513 CE LYS A 45 -4.696 -9.386 9.813 1.00 0.00 C ATOM 514 NZ LYS A 45 -4.184 -10.747 9.532 1.00 0.00 N ATOM 0 H LYS A 45 -5.996 -6.472 5.719 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.465 -7.668 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.523 -6.585 7.423 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.461 -8.055 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.213 -9.311 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.454 -7.741 7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.739 -8.523 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.018 -7.346 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.974 -9.310 10.864 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.600 -9.209 9.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.710 -11.440 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.308 -10.963 8.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.174 -10.795 9.775 1.00 0.00 H new ATOM 528 N LYS A 46 -6.169 -9.576 5.323 1.00 0.00 N ATOM 529 CA LYS A 46 -6.654 -10.925 5.088 1.00 0.00 C ATOM 530 C LYS A 46 -6.758 -11.245 3.594 1.00 0.00 C ATOM 531 O LYS A 46 -6.641 -12.414 3.201 1.00 0.00 O ATOM 532 CB LYS A 46 -8.027 -11.109 5.739 1.00 0.00 C ATOM 533 CG LYS A 46 -9.183 -10.547 4.921 1.00 0.00 C ATOM 534 CD LYS A 46 -10.409 -10.263 5.784 1.00 0.00 C ATOM 535 CE LYS A 46 -10.986 -11.533 6.396 1.00 0.00 C ATOM 536 NZ LYS A 46 -11.433 -12.504 5.374 1.00 0.00 N ATOM 0 H LYS A 46 -6.900 -8.873 5.432 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.932 -11.611 5.532 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.198 -12.172 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.021 -10.629 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.866 -9.628 4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.449 -11.254 4.135 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.139 -9.568 6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -11.172 -9.774 5.179 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.234 -12.000 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.828 -11.273 7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.982 -13.260 5.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.028 -12.020 4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.604 -12.916 4.900 1.00 0.00 H new ATOM 550 N ALA A 47 -6.991 -10.228 2.751 1.00 0.00 N ATOM 551 CA ALA A 47 -7.212 -10.506 1.360 1.00 0.00 C ATOM 552 C ALA A 47 -5.895 -10.657 0.645 1.00 0.00 C ATOM 553 O ALA A 47 -5.785 -11.313 -0.403 1.00 0.00 O ATOM 554 CB ALA A 47 -8.063 -9.452 0.676 1.00 0.00 C ATOM 0 H ALA A 47 -7.027 -9.243 3.014 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.768 -11.442 1.308 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.196 -9.716 -0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.037 -9.399 1.163 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.569 -8.483 0.746 1.00 0.00 H new ATOM 560 N ASN A 48 -4.892 -10.072 1.239 1.00 0.00 N ATOM 561 CA ASN A 48 -3.569 -10.063 0.746 1.00 0.00 C ATOM 562 C ASN A 48 -2.733 -10.634 1.903 1.00 0.00 C ATOM 563 O ASN A 48 -2.152 -9.900 2.684 1.00 0.00 O ATOM 564 CB ASN A 48 -3.100 -8.603 0.397 1.00 0.00 C ATOM 565 CG ASN A 48 -3.956 -7.811 -0.643 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.154 -8.022 -0.790 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.345 -6.855 -1.356 1.00 0.00 N ATOM 0 H ASN A 48 -4.994 -9.569 2.120 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.470 -10.639 -0.174 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.072 -8.026 1.322 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.077 -8.656 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.877 -6.299 -2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.347 -6.683 -1.230 1.00 0.00 H new ATOM 574 N PRO A 49 -2.770 -11.964 2.078 1.00 0.00 N ATOM 575 CA PRO A 49 -2.165 -12.659 3.234 1.00 0.00 C ATOM 576 C PRO A 49 -0.673 -12.497 3.315 1.00 0.00 C ATOM 577 O PRO A 49 -0.122 -12.063 4.318 1.00 0.00 O ATOM 578 CB PRO A 49 -2.547 -14.121 3.003 1.00 0.00 C ATOM 579 CG PRO A 49 -2.783 -14.201 1.544 1.00 0.00 C ATOM 580 CD PRO A 49 -3.418 -12.906 1.172 1.00 0.00 C ATOM 0 HA PRO A 49 -2.524 -12.252 4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.751 -14.796 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.438 -14.395 3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.849 -14.350 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.432 -15.041 1.297 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.240 -12.652 0.127 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.498 -12.928 1.315 1.00 0.00 H new ATOM 588 N ASP A 50 -0.041 -12.827 2.266 1.00 0.00 N ATOM 589 CA ASP A 50 1.416 -12.698 2.160 1.00 0.00 C ATOM 590 C ASP A 50 1.784 -11.275 1.669 1.00 0.00 C ATOM 591 O ASP A 50 2.762 -11.037 0.952 1.00 0.00 O ATOM 592 CB ASP A 50 1.975 -13.805 1.256 1.00 0.00 C ATOM 593 CG ASP A 50 3.481 -13.780 1.124 1.00 0.00 C ATOM 594 OD1 ASP A 50 4.201 -14.034 2.114 1.00 0.00 O ATOM 595 OD2 ASP A 50 3.972 -13.494 0.009 1.00 0.00 O ATOM 0 H ASP A 50 -0.489 -13.201 1.430 1.00 0.00 H new ATOM 0 HA ASP A 50 1.876 -12.826 3.140 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.670 -14.774 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.531 -13.711 0.265 1.00 0.00 H new ATOM 600 N LEU A 51 0.992 -10.336 2.071 1.00 0.00 N ATOM 601 CA LEU A 51 1.215 -8.977 1.767 1.00 0.00 C ATOM 602 C LEU A 51 1.357 -8.241 3.114 1.00 0.00 C ATOM 603 O LEU A 51 0.362 -8.038 3.806 1.00 0.00 O ATOM 604 CB LEU A 51 0.001 -8.479 0.955 1.00 0.00 C ATOM 605 CG LEU A 51 0.007 -7.090 0.281 1.00 0.00 C ATOM 606 CD1 LEU A 51 0.065 -5.940 1.249 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.107 -7.002 -0.705 1.00 0.00 C ATOM 0 H LEU A 51 0.157 -10.505 2.631 1.00 0.00 H new ATOM 0 HA LEU A 51 2.113 -8.805 1.174 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.180 -9.213 0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.861 -8.506 1.622 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.952 -6.997 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.066 -5.000 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.803 -5.974 1.907 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.975 -6.012 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.099 -6.017 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.061 -7.157 -0.201 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.973 -7.767 -1.469 1.00 0.00 H new ATOM 619 N PRO A 52 2.606 -7.994 3.570 1.00 0.00 N ATOM 620 CA PRO A 52 2.881 -7.212 4.779 1.00 0.00 C ATOM 621 C PRO A 52 2.224 -5.874 4.767 1.00 0.00 C ATOM 622 O PRO A 52 2.448 -5.091 3.851 1.00 0.00 O ATOM 623 CB PRO A 52 4.353 -6.972 4.721 1.00 0.00 C ATOM 624 CG PRO A 52 4.899 -8.112 3.976 1.00 0.00 C ATOM 625 CD PRO A 52 3.841 -8.538 3.004 1.00 0.00 C ATOM 0 HA PRO A 52 2.519 -7.742 5.660 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.579 -6.030 4.221 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.782 -6.913 5.721 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.814 -7.831 3.454 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.156 -8.928 4.651 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.032 -8.142 2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.795 -9.623 2.913 1.00 0.00 H new ATOM 633 N ILE A 53 1.510 -5.598 5.818 1.00 0.00 N ATOM 634 CA ILE A 53 0.741 -4.371 5.958 1.00 0.00 C ATOM 635 C ILE A 53 1.390 -3.521 7.071 1.00 0.00 C ATOM 636 O ILE A 53 1.172 -3.781 8.265 1.00 0.00 O ATOM 637 CB ILE A 53 -0.753 -4.674 6.392 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.404 -5.786 5.546 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.629 -3.413 6.349 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.646 -5.429 4.102 1.00 0.00 C ATOM 0 H ILE A 53 1.436 -6.222 6.622 1.00 0.00 H new ATOM 0 HA ILE A 53 0.734 -3.854 4.998 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.692 -5.026 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.768 -6.670 5.584 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.356 -6.058 6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.645 -3.665 6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.222 -2.664 7.028 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.643 -3.014 5.335 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.106 -6.274 3.590 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.310 -4.566 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.697 -5.188 3.623 1.00 0.00 H new ATOM 652 N LEU A 54 2.229 -2.580 6.701 1.00 0.00 N ATOM 653 CA LEU A 54 2.877 -1.709 7.684 1.00 0.00 C ATOM 654 C LEU A 54 2.515 -0.254 7.446 1.00 0.00 C ATOM 655 O LEU A 54 2.694 0.260 6.348 1.00 0.00 O ATOM 656 CB LEU A 54 4.421 -1.873 7.702 1.00 0.00 C ATOM 657 CG LEU A 54 5.016 -3.164 8.319 1.00 0.00 C ATOM 658 CD1 LEU A 54 4.576 -3.343 9.760 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.691 -4.398 7.496 1.00 0.00 C ATOM 0 H LEU A 54 2.485 -2.390 5.732 1.00 0.00 H new ATOM 0 HA LEU A 54 2.502 -2.018 8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.775 -1.803 6.673 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.839 -1.023 8.242 1.00 0.00 H new ATOM 0 HG LEU A 54 6.099 -3.045 8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.011 -4.258 10.162 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.911 -2.491 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.489 -3.409 9.803 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.130 -5.277 7.969 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.610 -4.520 7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.100 -4.284 6.492 1.00 0.00 H new ATOM 671 N ILE A 55 2.021 0.401 8.477 1.00 0.00 N ATOM 672 CA ILE A 55 1.608 1.793 8.409 1.00 0.00 C ATOM 673 C ILE A 55 2.778 2.661 8.825 1.00 0.00 C ATOM 674 O ILE A 55 3.184 2.685 9.993 1.00 0.00 O ATOM 675 CB ILE A 55 0.358 2.137 9.322 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.911 1.351 8.919 1.00 0.00 C ATOM 677 CG2 ILE A 55 0.054 3.635 9.288 1.00 0.00 C ATOM 678 CD1 ILE A 55 -0.866 -0.131 9.207 1.00 0.00 C ATOM 0 H ILE A 55 1.893 -0.021 9.397 1.00 0.00 H new ATOM 0 HA ILE A 55 1.301 1.985 7.381 1.00 0.00 H new ATOM 0 HB ILE A 55 0.631 1.837 10.334 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.766 1.781 9.440 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.084 1.493 7.852 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.807 3.846 9.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.918 4.190 9.653 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.166 3.939 8.264 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.801 -0.592 8.889 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.036 -0.582 8.664 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.729 -0.290 10.277 1.00 0.00 H new ATOM 690 N ARG A 56 3.309 3.339 7.887 1.00 0.00 N ATOM 691 CA ARG A 56 4.462 4.183 8.052 1.00 0.00 C ATOM 692 C ARG A 56 4.067 5.622 7.839 1.00 0.00 C ATOM 693 O ARG A 56 2.940 5.908 7.472 1.00 0.00 O ATOM 694 CB ARG A 56 5.546 3.793 7.064 1.00 0.00 C ATOM 695 CG ARG A 56 6.125 2.385 7.249 1.00 0.00 C ATOM 696 CD ARG A 56 7.007 2.261 8.505 1.00 0.00 C ATOM 697 NE ARG A 56 6.276 2.365 9.781 1.00 0.00 N ATOM 698 CZ ARG A 56 6.694 3.081 10.845 1.00 0.00 C ATOM 699 NH1 ARG A 56 7.758 3.869 10.757 1.00 0.00 N ATOM 700 NH2 ARG A 56 6.026 3.038 11.982 1.00 0.00 N ATOM 0 H ARG A 56 2.949 3.333 6.933 1.00 0.00 H new ATOM 0 HA ARG A 56 4.851 4.059 9.063 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.141 3.872 6.055 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.359 4.515 7.138 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.308 1.667 7.313 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.713 2.121 6.370 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.526 1.303 8.476 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.771 3.038 8.475 1.00 0.00 H new ATOM 0 HE ARG A 56 5.393 1.861 9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.270 3.938 9.877 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.064 4.405 11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.188 2.461 12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.347 3.582 12.783 1.00 0.00 H new ATOM 714 N GLU A 57 4.970 6.506 8.083 1.00 0.00 N ATOM 715 CA GLU A 57 4.712 7.920 7.962 1.00 0.00 C ATOM 716 C GLU A 57 5.177 8.432 6.577 1.00 0.00 C ATOM 717 O GLU A 57 5.947 7.765 5.882 1.00 0.00 O ATOM 718 CB GLU A 57 5.399 8.670 9.116 1.00 0.00 C ATOM 719 CG GLU A 57 5.099 10.153 9.168 1.00 0.00 C ATOM 720 CD GLU A 57 5.675 10.825 10.367 1.00 0.00 C ATOM 721 OE1 GLU A 57 6.841 11.266 10.325 1.00 0.00 O ATOM 722 OE2 GLU A 57 4.964 10.967 11.370 1.00 0.00 O ATOM 0 H GLU A 57 5.920 6.278 8.375 1.00 0.00 H new ATOM 0 HA GLU A 57 3.641 8.107 8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.094 8.217 10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.477 8.533 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.491 10.629 8.269 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.019 10.299 9.161 1.00 0.00 H new ATOM 729 N CYS A 58 4.668 9.575 6.173 1.00 0.00 N ATOM 730 CA CYS A 58 5.004 10.201 4.905 1.00 0.00 C ATOM 731 C CYS A 58 6.388 10.860 4.975 1.00 0.00 C ATOM 732 O CYS A 58 6.916 11.102 6.061 1.00 0.00 O ATOM 733 CB CYS A 58 3.960 11.259 4.585 1.00 0.00 C ATOM 734 SG CYS A 58 3.824 12.532 5.880 1.00 0.00 S ATOM 0 H CYS A 58 3.996 10.109 6.724 1.00 0.00 H new ATOM 0 HA CYS A 58 5.021 9.437 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.212 11.736 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.991 10.778 4.452 1.00 0.00 H new ATOM 739 N SER A 59 6.962 11.163 3.822 1.00 0.00 N ATOM 740 CA SER A 59 8.271 11.780 3.777 1.00 0.00 C ATOM 741 C SER A 59 8.415 12.795 2.617 1.00 0.00 C ATOM 742 O SER A 59 9.468 13.417 2.459 1.00 0.00 O ATOM 743 CB SER A 59 9.337 10.686 3.713 1.00 0.00 C ATOM 744 OG SER A 59 8.999 9.703 2.726 1.00 0.00 O ATOM 0 H SER A 59 6.541 10.991 2.909 1.00 0.00 H new ATOM 0 HA SER A 59 8.407 12.363 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.305 11.128 3.476 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.435 10.210 4.689 1.00 0.00 H new ATOM 0 HG SER A 59 9.695 9.013 2.700 1.00 0.00 H new ATOM 750 N ASP A 60 7.351 12.973 1.817 1.00 0.00 N ATOM 751 CA ASP A 60 7.380 13.937 0.715 1.00 0.00 C ATOM 752 C ASP A 60 6.008 14.567 0.532 1.00 0.00 C ATOM 753 O ASP A 60 5.696 15.537 1.206 1.00 0.00 O ATOM 754 CB ASP A 60 7.994 13.377 -0.617 1.00 0.00 C ATOM 755 CG ASP A 60 7.352 12.114 -1.161 1.00 0.00 C ATOM 756 OD1 ASP A 60 6.306 12.187 -1.814 1.00 0.00 O ATOM 757 OD2 ASP A 60 7.886 11.016 -0.940 1.00 0.00 O ATOM 0 H ASP A 60 6.471 12.466 1.914 1.00 0.00 H new ATOM 0 HA ASP A 60 8.077 14.726 0.999 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.928 14.153 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.054 13.181 -0.452 1.00 0.00 H new ATOM 762 N VAL A 61 5.178 14.012 -0.311 1.00 0.00 N ATOM 763 CA VAL A 61 3.832 14.486 -0.421 1.00 0.00 C ATOM 764 C VAL A 61 3.030 13.813 0.671 1.00 0.00 C ATOM 765 O VAL A 61 2.866 14.364 1.765 1.00 0.00 O ATOM 766 CB VAL A 61 3.180 14.204 -1.808 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.796 14.824 -1.884 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.034 14.725 -2.941 1.00 0.00 C ATOM 0 H VAL A 61 5.413 13.234 -0.928 1.00 0.00 H new ATOM 0 HA VAL A 61 3.841 15.571 -0.317 1.00 0.00 H new ATOM 0 HB VAL A 61 3.097 13.122 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.357 14.616 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.164 14.399 -1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.872 15.902 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.547 14.510 -3.892 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.162 15.802 -2.834 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.009 14.239 -2.915 1.00 0.00 H new ATOM 778 N GLN A 62 2.639 12.577 0.441 1.00 0.00 N ATOM 779 CA GLN A 62 1.848 11.895 1.420 1.00 0.00 C ATOM 780 C GLN A 62 1.765 10.361 1.167 1.00 0.00 C ATOM 781 O GLN A 62 2.579 9.613 1.737 1.00 0.00 O ATOM 782 CB GLN A 62 0.436 12.572 1.609 1.00 0.00 C ATOM 783 CG GLN A 62 -0.340 12.195 2.880 1.00 0.00 C ATOM 784 CD GLN A 62 -0.782 10.742 2.958 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.060 9.903 3.440 1.00 0.00 O ATOM 786 NE2 GLN A 62 -1.975 10.461 2.567 1.00 0.00 N ATOM 0 H GLN A 62 2.855 12.041 -0.399 1.00 0.00 H new ATOM 0 HA GLN A 62 2.367 11.999 2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.572 13.653 1.601 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.181 12.322 0.746 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.283 12.416 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.222 12.831 2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.564 11.189 2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.332 9.510 2.661 1.00 0.00 H new ATOM 795 N PRO A 63 0.882 9.877 0.231 1.00 0.00 N ATOM 796 CA PRO A 63 0.511 8.469 0.167 1.00 0.00 C ATOM 797 C PRO A 63 1.419 7.637 -0.691 1.00 0.00 C ATOM 798 O PRO A 63 1.062 7.277 -1.798 1.00 0.00 O ATOM 799 CB PRO A 63 -0.872 8.519 -0.475 1.00 0.00 C ATOM 800 CG PRO A 63 -0.853 9.726 -1.367 1.00 0.00 C ATOM 801 CD PRO A 63 0.254 10.630 -0.883 1.00 0.00 C ATOM 0 HA PRO A 63 0.560 8.007 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.074 7.612 -1.045 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.653 8.601 0.281 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.684 9.434 -2.404 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.812 10.243 -1.334 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.972 10.839 -1.676 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.136 11.590 -0.544 1.00 0.00 H new ATOM 809 N LYS A 64 2.572 7.335 -0.216 1.00 0.00 N ATOM 810 CA LYS A 64 3.470 6.542 -1.027 1.00 0.00 C ATOM 811 C LYS A 64 3.315 5.101 -0.694 1.00 0.00 C ATOM 812 O LYS A 64 3.081 4.729 0.467 1.00 0.00 O ATOM 813 CB LYS A 64 4.960 6.904 -0.880 1.00 0.00 C ATOM 814 CG LYS A 64 5.397 8.308 -1.281 1.00 0.00 C ATOM 815 CD LYS A 64 4.997 9.359 -0.283 1.00 0.00 C ATOM 816 CE LYS A 64 5.782 9.207 1.016 1.00 0.00 C ATOM 817 NZ LYS A 64 7.253 9.190 0.775 1.00 0.00 N ATOM 0 H LYS A 64 2.925 7.607 0.702 1.00 0.00 H new ATOM 0 HA LYS A 64 3.186 6.760 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.239 6.752 0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.537 6.193 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.480 8.324 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.964 8.553 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.171 10.350 -0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.929 9.283 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.533 10.028 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.485 8.284 1.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.743 9.617 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.574 8.208 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.470 9.733 -0.085 1.00 0.00 H new ATOM 831 N LEU A 65 3.492 4.314 -1.695 1.00 0.00 N ATOM 832 CA LEU A 65 3.376 2.913 -1.607 1.00 0.00 C ATOM 833 C LEU A 65 4.731 2.352 -1.509 1.00 0.00 C ATOM 834 O LEU A 65 5.442 2.354 -2.494 1.00 0.00 O ATOM 835 CB LEU A 65 2.787 2.420 -2.895 1.00 0.00 C ATOM 836 CG LEU A 65 2.331 0.961 -2.938 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.356 0.655 -1.808 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.695 0.671 -4.283 1.00 0.00 C ATOM 0 H LEU A 65 3.730 4.646 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 65 2.764 2.628 -0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.931 3.049 -3.139 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.525 2.567 -3.683 1.00 0.00 H new ATOM 0 HG LEU A 65 3.201 0.319 -2.804 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.050 -0.389 -1.865 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.841 0.839 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.479 1.296 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.370 -0.369 -4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.835 1.325 -4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.422 0.848 -5.075 1.00 0.00 H new ATOM 850 N TRP A 66 5.140 1.954 -0.369 1.00 0.00 N ATOM 851 CA TRP A 66 6.399 1.323 -0.308 1.00 0.00 C ATOM 852 C TRP A 66 6.195 -0.175 -0.478 1.00 0.00 C ATOM 853 O TRP A 66 5.343 -0.772 0.174 1.00 0.00 O ATOM 854 CB TRP A 66 7.197 1.630 0.992 1.00 0.00 C ATOM 855 CG TRP A 66 8.392 0.722 1.151 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.491 -0.392 1.939 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.608 0.809 0.437 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.709 -0.986 1.755 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.410 -0.267 0.829 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.095 1.693 -0.492 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.672 -0.469 0.297 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.330 1.489 -1.019 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.104 0.428 -0.633 1.00 0.00 C ATOM 0 H TRP A 66 4.639 2.049 0.514 1.00 0.00 H new ATOM 0 HA TRP A 66 7.010 1.726 -1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.530 2.668 0.976 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.540 1.519 1.855 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.721 -0.749 2.607 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.039 -1.826 2.230 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.503 2.542 -0.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.287 -1.301 0.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.710 2.179 -1.758 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.080 0.299 -1.076 1.00 0.00 H new ATOM 874 N ALA A 67 6.963 -0.743 -1.338 1.00 0.00 N ATOM 875 CA ALA A 67 6.944 -2.122 -1.600 1.00 0.00 C ATOM 876 C ALA A 67 8.366 -2.638 -1.652 1.00 0.00 C ATOM 877 O ALA A 67 9.279 -1.924 -2.097 1.00 0.00 O ATOM 878 CB ALA A 67 6.256 -2.395 -2.920 1.00 0.00 C ATOM 0 H ALA A 67 7.646 -0.231 -1.896 1.00 0.00 H new ATOM 0 HA ALA A 67 6.395 -2.630 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.248 -3.468 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.231 -2.026 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.793 -1.888 -3.722 1.00 0.00 H new ATOM 884 N ARG A 68 8.559 -3.839 -1.192 1.00 0.00 N ATOM 885 CA ARG A 68 9.798 -4.515 -1.286 1.00 0.00 C ATOM 886 C ARG A 68 9.388 -5.940 -1.512 1.00 0.00 C ATOM 887 O ARG A 68 8.948 -6.645 -0.620 1.00 0.00 O ATOM 888 CB ARG A 68 10.679 -4.388 -0.031 1.00 0.00 C ATOM 889 CG ARG A 68 12.161 -4.640 -0.332 1.00 0.00 C ATOM 890 CD ARG A 68 12.848 -3.371 -0.884 1.00 0.00 C ATOM 891 NE ARG A 68 14.176 -3.621 -1.499 1.00 0.00 N ATOM 892 CZ ARG A 68 15.038 -2.648 -1.853 1.00 0.00 C ATOM 893 NH1 ARG A 68 14.887 -1.420 -1.373 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.082 -2.917 -2.625 1.00 0.00 N ATOM 0 H ARG A 68 7.830 -4.382 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 68 10.421 -4.094 -2.076 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.561 -3.391 0.393 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.338 -5.098 0.723 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.668 -4.964 0.577 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.254 -5.450 -1.055 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.196 -2.911 -1.627 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.964 -2.652 -0.073 1.00 0.00 H new ATOM 0 HE ARG A 68 14.453 -4.589 -1.664 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.118 -1.212 -0.736 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.540 -0.684 -1.641 1.00 0.00 H new ATOM 0 HH21 ARG A 68 16.239 -3.869 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.728 -2.172 -2.887 1.00 0.00 H new ATOM 908 N TYR A 69 9.386 -6.275 -2.714 1.00 0.00 N ATOM 909 CA TYR A 69 8.889 -7.552 -3.204 1.00 0.00 C ATOM 910 C TYR A 69 9.827 -8.721 -2.840 1.00 0.00 C ATOM 911 O TYR A 69 10.911 -8.510 -2.311 1.00 0.00 O ATOM 912 CB TYR A 69 8.746 -7.467 -4.720 1.00 0.00 C ATOM 913 CG TYR A 69 7.937 -6.290 -5.216 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.644 -6.116 -4.825 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.472 -5.375 -6.099 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.886 -5.071 -5.290 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.733 -4.313 -6.573 1.00 0.00 C ATOM 918 CZ TYR A 69 6.432 -4.168 -6.165 1.00 0.00 C ATOM 919 OH TYR A 69 5.667 -3.136 -6.658 1.00 0.00 O ATOM 0 H TYR A 69 9.738 -5.669 -3.455 1.00 0.00 H new ATOM 0 HA TYR A 69 7.927 -7.749 -2.731 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.741 -7.418 -5.162 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.282 -8.386 -5.079 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.204 -6.818 -4.132 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.494 -5.494 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.861 -4.960 -4.967 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.173 -3.603 -7.258 1.00 0.00 H new ATOM 0 HH TYR A 69 6.207 -2.320 -6.701 1.00 0.00 H new ATOM 929 N ALA A 70 9.400 -9.945 -3.154 1.00 0.00 N ATOM 930 CA ALA A 70 10.191 -11.156 -2.886 1.00 0.00 C ATOM 931 C ALA A 70 11.045 -11.499 -4.056 1.00 0.00 C ATOM 932 O ALA A 70 12.028 -12.226 -3.929 1.00 0.00 O ATOM 933 CB ALA A 70 9.330 -12.324 -2.442 1.00 0.00 C ATOM 0 H ALA A 70 8.501 -10.129 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 70 10.851 -10.936 -2.047 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.962 -13.192 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.801 -12.059 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.607 -12.561 -3.223 1.00 0.00 H new ATOM 939 N PHE A 71 10.691 -10.966 -5.199 1.00 0.00 N ATOM 940 CA PHE A 71 11.616 -10.980 -6.298 1.00 0.00 C ATOM 941 C PHE A 71 12.655 -9.884 -6.016 1.00 0.00 C ATOM 942 O PHE A 71 13.645 -9.720 -6.711 1.00 0.00 O ATOM 943 CB PHE A 71 10.913 -10.813 -7.641 1.00 0.00 C ATOM 944 CG PHE A 71 10.065 -11.997 -8.016 1.00 0.00 C ATOM 945 CD1 PHE A 71 10.653 -13.154 -8.496 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.691 -11.959 -7.880 1.00 0.00 C ATOM 947 CE1 PHE A 71 9.888 -14.247 -8.836 1.00 0.00 C ATOM 948 CE2 PHE A 71 7.918 -13.048 -8.217 1.00 0.00 C ATOM 949 CZ PHE A 71 8.517 -14.194 -8.696 1.00 0.00 C ATOM 0 H PHE A 71 9.790 -10.527 -5.388 1.00 0.00 H new ATOM 0 HA PHE A 71 12.114 -11.947 -6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.287 -9.921 -7.608 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.660 -10.649 -8.417 1.00 0.00 H new ATOM 0 HD1 PHE A 71 11.726 -13.200 -8.605 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.217 -11.064 -7.505 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.360 -15.143 -9.211 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.845 -13.004 -8.106 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.913 -15.049 -8.961 1.00 0.00 H new ATOM 959 N GLY A 72 12.346 -9.125 -4.971 1.00 0.00 N ATOM 960 CA GLY A 72 13.245 -8.211 -4.351 1.00 0.00 C ATOM 961 C GLY A 72 13.352 -6.866 -5.012 1.00 0.00 C ATOM 962 O GLY A 72 14.302 -6.124 -4.773 1.00 0.00 O ATOM 0 H GLY A 72 11.426 -9.144 -4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.933 -8.065 -3.317 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.236 -8.664 -4.324 1.00 0.00 H new ATOM 966 N GLN A 73 12.383 -6.543 -5.828 1.00 0.00 N ATOM 967 CA GLN A 73 12.286 -5.213 -6.407 1.00 0.00 C ATOM 968 C GLN A 73 11.692 -4.278 -5.353 1.00 0.00 C ATOM 969 O GLN A 73 11.051 -4.745 -4.391 1.00 0.00 O ATOM 970 CB GLN A 73 11.383 -5.218 -7.652 1.00 0.00 C ATOM 971 CG GLN A 73 11.987 -5.746 -8.951 1.00 0.00 C ATOM 972 CD GLN A 73 12.582 -7.128 -8.863 1.00 0.00 C ATOM 973 OE1 GLN A 73 13.771 -7.282 -8.602 1.00 0.00 O ATOM 974 NE2 GLN A 73 11.787 -8.140 -9.043 1.00 0.00 N ATOM 0 H GLN A 73 11.641 -7.182 -6.113 1.00 0.00 H new ATOM 0 HA GLN A 73 13.278 -4.878 -6.711 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.498 -5.813 -7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.044 -4.197 -7.828 1.00 0.00 H new ATOM 0 HG2 GLN A 73 11.213 -5.748 -9.719 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.762 -5.054 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 73 10.803 -7.983 -9.259 1.00 0.00 H new ATOM 0 HE22 GLN A 73 12.147 -9.091 -8.968 1.00 0.00 H new ATOM 983 N GLU A 74 11.884 -3.001 -5.500 1.00 0.00 N ATOM 984 CA GLU A 74 11.337 -2.065 -4.556 1.00 0.00 C ATOM 985 C GLU A 74 10.341 -1.153 -5.247 1.00 0.00 C ATOM 986 O GLU A 74 10.231 -1.153 -6.483 1.00 0.00 O ATOM 987 CB GLU A 74 12.432 -1.237 -3.838 1.00 0.00 C ATOM 988 CG GLU A 74 13.170 -0.219 -4.700 1.00 0.00 C ATOM 989 CD GLU A 74 13.947 -0.841 -5.836 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.367 -1.091 -6.889 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.147 -1.114 -5.683 1.00 0.00 O ATOM 0 H GLU A 74 12.415 -2.581 -6.263 1.00 0.00 H new ATOM 0 HA GLU A 74 10.825 -2.641 -3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.972 -0.711 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.164 -1.926 -3.417 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.449 0.490 -5.108 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.855 0.350 -4.071 1.00 0.00 H new ATOM 998 N THR A 75 9.619 -0.417 -4.466 1.00 0.00 N ATOM 999 CA THR A 75 8.626 0.495 -4.925 1.00 0.00 C ATOM 1000 C THR A 75 8.330 1.462 -3.812 1.00 0.00 C ATOM 1001 O THR A 75 8.273 1.073 -2.688 1.00 0.00 O ATOM 1002 CB THR A 75 7.362 -0.290 -5.367 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.530 -0.807 -6.686 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.056 0.484 -5.231 1.00 0.00 C ATOM 0 H THR A 75 9.710 -0.437 -3.450 1.00 0.00 H new ATOM 0 HA THR A 75 8.976 1.056 -5.792 1.00 0.00 H new ATOM 0 HB THR A 75 7.266 -1.119 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.476 -1.010 -6.840 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.227 -0.141 -5.562 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.906 0.764 -4.188 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.100 1.383 -5.845 1.00 0.00 H new ATOM 1012 N ASN A 76 8.266 2.705 -4.125 1.00 0.00 N ATOM 1013 CA ASN A 76 7.946 3.746 -3.154 1.00 0.00 C ATOM 1014 C ASN A 76 7.161 4.843 -3.835 1.00 0.00 C ATOM 1015 O ASN A 76 7.755 5.735 -4.435 1.00 0.00 O ATOM 1016 CB ASN A 76 9.225 4.279 -2.414 1.00 0.00 C ATOM 1017 CG ASN A 76 10.456 4.483 -3.316 1.00 0.00 C ATOM 1018 OD1 ASN A 76 11.363 3.505 -3.348 1.00 0.00 O flip ATOM 1019 ND2 ASN A 76 10.635 5.537 -3.916 1.00 0.00 N flip ATOM 0 H ASN A 76 8.433 3.056 -5.068 1.00 0.00 H new ATOM 0 HA ASN A 76 7.321 3.318 -2.370 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.982 5.228 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.486 3.579 -1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.928 6.272 -3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.490 5.679 -4.453 1.00 0.00 H new ATOM 1026 N VAL A 77 5.803 4.780 -3.814 1.00 0.00 N ATOM 1027 CA VAL A 77 5.089 5.791 -4.664 1.00 0.00 C ATOM 1028 C VAL A 77 3.712 6.311 -4.284 1.00 0.00 C ATOM 1029 O VAL A 77 2.817 5.555 -3.973 1.00 0.00 O ATOM 1030 CB VAL A 77 5.139 5.382 -6.121 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.655 3.947 -6.340 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.472 6.356 -7.088 1.00 0.00 C ATOM 0 H VAL A 77 5.227 4.124 -3.286 1.00 0.00 H new ATOM 0 HA VAL A 77 5.678 6.682 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 77 6.199 5.422 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.710 3.702 -7.401 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.286 3.260 -5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.624 3.855 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.560 5.976 -8.106 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.418 6.461 -6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.961 7.328 -7.020 1.00 0.00 H new ATOM 1042 N PRO A 78 3.590 7.673 -4.318 1.00 0.00 N ATOM 1043 CA PRO A 78 2.345 8.424 -4.136 1.00 0.00 C ATOM 1044 C PRO A 78 1.273 7.888 -5.029 1.00 0.00 C ATOM 1045 O PRO A 78 1.263 8.087 -6.241 1.00 0.00 O ATOM 1046 CB PRO A 78 2.724 9.858 -4.512 1.00 0.00 C ATOM 1047 CG PRO A 78 4.175 9.924 -4.217 1.00 0.00 C ATOM 1048 CD PRO A 78 4.711 8.560 -4.555 1.00 0.00 C ATOM 0 HA PRO A 78 1.947 8.355 -3.124 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.519 10.065 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.163 10.587 -3.928 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.663 10.697 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.353 10.168 -3.170 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.048 8.509 -5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.565 8.300 -3.929 1.00 0.00 H new ATOM 1056 N LEU A 79 0.394 7.199 -4.414 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.623 6.476 -5.061 1.00 0.00 C ATOM 1058 C LEU A 79 -1.940 7.248 -5.045 1.00 0.00 C ATOM 1059 O LEU A 79 -3.025 6.686 -5.206 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.681 5.067 -4.435 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.818 4.920 -2.905 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -2.098 5.546 -2.391 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.812 3.441 -2.548 1.00 0.00 C ATOM 0 H LEU A 79 0.363 7.121 -3.397 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.409 6.347 -6.122 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.521 4.542 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.225 4.539 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 79 0.021 5.437 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.156 5.421 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.107 6.609 -2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.954 5.060 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.908 3.327 -1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.647 2.944 -3.041 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.124 2.991 -2.878 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.796 8.558 -4.919 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.918 9.543 -4.889 1.00 0.00 C ATOM 1077 C ASN A 80 -3.945 9.376 -6.036 1.00 0.00 C ATOM 1078 O ASN A 80 -5.109 9.742 -5.903 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.347 10.984 -4.846 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.369 12.095 -5.097 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.574 12.532 -6.230 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -3.978 12.570 -4.063 1.00 0.00 N ATOM 0 H ASN A 80 -0.880 8.999 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.484 9.342 -3.980 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.888 11.147 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.554 11.066 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.651 13.329 -4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -3.786 12.187 -3.137 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.527 8.742 -7.086 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.347 8.574 -8.298 1.00 0.00 C ATOM 1091 C ASN A 81 -5.275 7.349 -8.220 1.00 0.00 C ATOM 1092 O ASN A 81 -5.995 7.057 -9.182 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.452 8.414 -9.547 1.00 0.00 C ATOM 1094 CG ASN A 81 -2.522 9.585 -9.810 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -2.813 10.730 -9.462 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -1.404 9.311 -10.433 1.00 0.00 N ATOM 0 H ASN A 81 -2.603 8.314 -7.151 1.00 0.00 H new ATOM 0 HA ASN A 81 -4.958 9.474 -8.373 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.854 7.509 -9.436 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.090 8.270 -10.419 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.742 10.057 -10.645 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.195 8.351 -10.707 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.264 6.628 -7.104 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.036 5.405 -6.993 1.00 0.00 C ATOM 1105 C PHE A 82 -7.126 5.514 -5.912 1.00 0.00 C ATOM 1106 O PHE A 82 -7.384 6.608 -5.368 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.104 4.220 -6.688 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.016 3.994 -7.708 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.282 3.337 -8.893 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -2.723 4.429 -7.469 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.286 3.118 -9.821 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -1.721 4.216 -8.392 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.003 3.558 -9.570 1.00 0.00 C ATOM 0 H PHE A 82 -4.730 6.871 -6.269 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.534 5.239 -7.948 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.642 4.380 -5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.705 3.314 -6.611 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.284 2.990 -9.096 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.496 4.942 -6.546 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.510 2.603 -10.743 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.718 4.564 -8.193 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.221 3.387 -10.295 1.00 0.00 H new ATOM 1123 N SER A 83 -7.745 4.385 -5.623 1.00 0.00 N ATOM 1124 CA SER A 83 -8.818 4.254 -4.645 1.00 0.00 C ATOM 1125 C SER A 83 -8.607 2.936 -3.840 1.00 0.00 C ATOM 1126 O SER A 83 -7.696 2.185 -4.157 1.00 0.00 O ATOM 1127 CB SER A 83 -10.181 4.262 -5.366 1.00 0.00 C ATOM 1128 OG SER A 83 -11.273 4.325 -4.448 1.00 0.00 O ATOM 0 H SER A 83 -7.510 3.502 -6.076 1.00 0.00 H new ATOM 0 HA SER A 83 -8.804 5.093 -3.949 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.228 5.115 -6.043 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.273 3.364 -5.977 1.00 0.00 H new ATOM 0 HG SER A 83 -12.118 4.330 -4.945 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.471 2.675 -2.839 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.357 1.535 -1.882 1.00 0.00 C ATOM 1136 C ALA A 84 -9.168 0.166 -2.563 1.00 0.00 C ATOM 1137 O ALA A 84 -8.124 -0.511 -2.429 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.641 1.440 -1.094 1.00 0.00 C ATOM 0 H ALA A 84 -10.289 3.258 -2.662 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.479 1.740 -1.270 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.575 0.611 -0.389 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.802 2.369 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.475 1.271 -1.776 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.196 -0.220 -3.295 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.274 -1.527 -3.956 1.00 0.00 C ATOM 1146 C ASP A 85 -9.176 -1.652 -4.961 1.00 0.00 C ATOM 1147 O ASP A 85 -8.499 -2.683 -5.072 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.602 -1.627 -4.659 1.00 0.00 C ATOM 1149 CG ASP A 85 -11.906 -3.017 -5.158 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -11.768 -3.992 -4.383 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -12.282 -3.156 -6.336 1.00 0.00 O ATOM 0 H ASP A 85 -11.015 0.366 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 85 -10.174 -2.322 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.392 -1.312 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.613 -0.935 -5.501 1.00 0.00 H new ATOM 1156 N GLN A 86 -9.026 -0.591 -5.691 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.967 -0.441 -6.666 1.00 0.00 C ATOM 1158 C GLN A 86 -6.599 -0.672 -6.056 1.00 0.00 C ATOM 1159 O GLN A 86 -5.908 -1.527 -6.528 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.067 0.913 -7.378 1.00 0.00 C ATOM 1161 CG GLN A 86 -6.922 1.226 -8.327 1.00 0.00 C ATOM 1162 CD GLN A 86 -6.732 0.202 -9.420 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -7.672 -0.433 -9.880 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -5.512 0.033 -9.827 1.00 0.00 N ATOM 0 H GLN A 86 -9.645 0.218 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.098 -1.216 -7.422 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.002 0.944 -7.938 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.120 1.699 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.098 2.200 -8.783 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.999 1.305 -7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -4.757 0.583 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.308 -0.650 -10.557 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.225 0.049 -5.000 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.911 -0.163 -4.403 1.00 0.00 C ATOM 1175 C VAL A 87 -4.730 -1.601 -3.931 1.00 0.00 C ATOM 1176 O VAL A 87 -3.715 -2.196 -4.206 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.506 0.863 -3.286 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.338 2.252 -3.856 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.485 0.899 -2.164 1.00 0.00 C ATOM 0 H VAL A 87 -6.796 0.765 -4.552 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.213 0.029 -5.218 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.552 0.519 -2.888 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.058 2.941 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.558 2.241 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.277 2.578 -4.303 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.158 1.624 -1.419 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.465 1.187 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.550 -0.088 -1.706 1.00 0.00 H new ATOM 1189 N THR A 88 -5.743 -2.199 -3.319 1.00 0.00 N ATOM 1190 CA THR A 88 -5.567 -3.566 -2.836 1.00 0.00 C ATOM 1191 C THR A 88 -5.386 -4.605 -3.940 1.00 0.00 C ATOM 1192 O THR A 88 -4.476 -5.475 -3.869 1.00 0.00 O ATOM 1193 CB THR A 88 -6.627 -3.976 -1.811 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.954 -3.735 -2.313 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.426 -3.168 -0.565 1.00 0.00 C ATOM 0 H THR A 88 -6.659 -1.783 -3.149 1.00 0.00 H new ATOM 0 HA THR A 88 -4.613 -3.549 -2.309 1.00 0.00 H new ATOM 0 HB THR A 88 -6.523 -5.042 -1.606 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.904 -3.470 -3.255 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.175 -3.449 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.430 -3.358 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.527 -2.108 -0.798 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.170 -4.481 -4.960 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.113 -5.420 -6.072 1.00 0.00 C ATOM 1205 C ARG A 89 -4.941 -5.106 -6.940 1.00 0.00 C ATOM 1206 O ARG A 89 -4.263 -6.012 -7.371 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.418 -5.461 -6.889 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.411 -6.432 -8.104 1.00 0.00 C ATOM 1209 CD ARG A 89 -8.782 -6.495 -8.779 1.00 0.00 C ATOM 1210 NE ARG A 89 -9.222 -5.194 -9.295 1.00 0.00 N ATOM 1211 CZ ARG A 89 -10.190 -4.440 -8.744 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -10.833 -4.875 -7.673 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -10.512 -3.260 -9.273 1.00 0.00 N ATOM 0 H ARG A 89 -6.865 -3.742 -5.062 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.992 -6.418 -5.652 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.235 -5.743 -6.224 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.633 -4.455 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.663 -6.107 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.121 -7.429 -7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.746 -7.212 -9.599 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.517 -6.865 -8.064 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.761 -4.836 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.594 -5.780 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.568 -4.306 -7.253 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.023 -2.922 -10.102 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.247 -2.695 -8.849 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.683 -3.814 -7.177 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.518 -3.400 -7.962 1.00 0.00 C ATOM 1229 C ALA A 90 -2.283 -3.969 -7.348 1.00 0.00 C ATOM 1230 O ALA A 90 -1.510 -4.615 -8.044 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.388 -1.891 -8.071 1.00 0.00 C ATOM 0 H ALA A 90 -5.261 -3.044 -6.839 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.654 -3.781 -8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.507 -1.644 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.276 -1.483 -8.554 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.287 -1.462 -7.074 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.141 -3.777 -6.019 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.034 -4.337 -5.264 1.00 0.00 C ATOM 1239 C LEU A 91 -0.922 -5.804 -5.492 1.00 0.00 C ATOM 1240 O LEU A 91 0.027 -6.260 -6.077 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.154 -4.092 -3.729 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.457 -2.841 -3.151 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -0.868 -1.572 -3.862 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -0.736 -2.729 -1.661 1.00 0.00 C ATOM 0 H LEU A 91 -2.793 -3.231 -5.456 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.145 -3.822 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.213 -4.032 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.754 -4.967 -3.216 1.00 0.00 H new ATOM 0 HG LEU A 91 0.614 -2.963 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.350 -0.722 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.606 -1.645 -4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.945 -1.432 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.240 -1.844 -1.263 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.811 -2.647 -1.497 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.358 -3.616 -1.152 1.00 0.00 H new ATOM 1256 N GLU A 92 -1.942 -6.521 -5.130 1.00 0.00 N ATOM 1257 CA GLU A 92 -1.844 -7.987 -5.080 1.00 0.00 C ATOM 1258 C GLU A 92 -1.581 -8.557 -6.465 1.00 0.00 C ATOM 1259 O GLU A 92 -0.745 -9.471 -6.621 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.114 -8.545 -4.422 1.00 0.00 C ATOM 1261 CG GLU A 92 -2.970 -9.722 -3.441 1.00 0.00 C ATOM 1262 CD GLU A 92 -2.534 -11.029 -4.041 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -3.121 -11.463 -5.048 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -1.617 -11.662 -3.486 1.00 0.00 O ATOM 0 H GLU A 92 -2.850 -6.141 -4.864 1.00 0.00 H new ATOM 0 HA GLU A 92 -0.993 -8.293 -4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.600 -7.727 -3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.792 -8.856 -5.217 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.252 -9.441 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.928 -9.874 -2.944 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.231 -7.974 -7.434 1.00 0.00 N ATOM 1272 CA ASN A 93 -2.091 -8.318 -8.831 1.00 0.00 C ATOM 1273 C ASN A 93 -0.611 -8.231 -9.202 1.00 0.00 C ATOM 1274 O ASN A 93 0.072 -9.270 -9.420 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.875 -7.278 -9.630 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.653 -7.803 -10.799 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.168 -7.846 -11.931 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.875 -8.194 -10.528 1.00 0.00 N ATOM 0 H ASN A 93 -2.897 -7.219 -7.272 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.460 -9.323 -9.038 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.566 -6.774 -8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.177 -6.524 -9.992 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.472 -8.555 -11.272 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.229 -8.138 -9.573 1.00 0.00 H new ATOM 1285 N VAL A 94 -0.085 -7.003 -9.117 1.00 0.00 N ATOM 1286 CA VAL A 94 1.274 -6.730 -9.509 1.00 0.00 C ATOM 1287 C VAL A 94 2.293 -7.487 -8.743 1.00 0.00 C ATOM 1288 O VAL A 94 3.181 -8.085 -9.333 1.00 0.00 O ATOM 1289 CB VAL A 94 1.686 -5.235 -9.485 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.023 -4.434 -10.584 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.488 -4.550 -8.137 1.00 0.00 C ATOM 0 H VAL A 94 -0.596 -6.188 -8.776 1.00 0.00 H new ATOM 0 HA VAL A 94 1.262 -7.070 -10.545 1.00 0.00 H new ATOM 0 HB VAL A 94 2.760 -5.254 -9.668 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.345 -3.395 -10.522 1.00 0.00 H new ATOM 0 HG12 VAL A 94 1.305 -4.844 -11.554 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.060 -4.485 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.801 -3.508 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.435 -4.594 -7.857 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.086 -5.057 -7.380 1.00 0.00 H new ATOM 1301 N LEU A 95 2.165 -7.517 -7.464 1.00 0.00 N ATOM 1302 CA LEU A 95 3.271 -7.990 -6.688 1.00 0.00 C ATOM 1303 C LEU A 95 3.303 -9.434 -6.429 1.00 0.00 C ATOM 1304 O LEU A 95 4.383 -10.010 -6.301 1.00 0.00 O ATOM 1305 CB LEU A 95 3.487 -7.156 -5.451 1.00 0.00 C ATOM 1306 CG LEU A 95 2.271 -6.909 -4.566 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.846 -8.119 -3.758 1.00 0.00 C ATOM 1308 CD2 LEU A 95 2.440 -5.669 -3.719 1.00 0.00 C ATOM 0 H LEU A 95 1.338 -7.232 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 95 4.136 -7.847 -7.336 1.00 0.00 H new ATOM 0 HB2 LEU A 95 4.255 -7.639 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.885 -6.189 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 95 1.438 -6.724 -5.245 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.975 -7.865 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.594 -8.937 -4.433 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.663 -8.426 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.553 -5.526 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 95 3.314 -5.783 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.575 -4.802 -4.366 1.00 0.00 H new ATOM 1320 N SER A 96 2.184 -10.038 -6.328 1.00 0.00 N ATOM 1321 CA SER A 96 2.228 -11.416 -6.113 1.00 0.00 C ATOM 1322 C SER A 96 2.414 -12.098 -7.465 1.00 0.00 C ATOM 1323 O SER A 96 2.929 -13.221 -7.550 1.00 0.00 O ATOM 1324 CB SER A 96 0.973 -11.893 -5.422 1.00 0.00 C ATOM 1325 OG SER A 96 0.802 -11.202 -4.193 1.00 0.00 O ATOM 0 H SER A 96 1.259 -9.613 -6.389 1.00 0.00 H new ATOM 0 HA SER A 96 3.061 -11.669 -5.457 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.109 -11.727 -6.065 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.034 -12.966 -5.240 1.00 0.00 H new ATOM 0 HG SER A 96 -0.133 -11.271 -3.906 1.00 0.00 H new ATOM 1331 N GLY A 97 1.999 -11.400 -8.536 1.00 0.00 N ATOM 1332 CA GLY A 97 2.147 -11.942 -9.834 1.00 0.00 C ATOM 1333 C GLY A 97 3.474 -11.626 -10.500 1.00 0.00 C ATOM 1334 O GLY A 97 4.231 -12.540 -10.847 1.00 0.00 O ATOM 0 H GLY A 97 1.569 -10.476 -8.498 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.032 -13.024 -9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 97 1.340 -11.568 -10.464 1.00 0.00 H new ATOM 1338 N LYS A 98 3.773 -10.361 -10.696 1.00 0.00 N ATOM 1339 CA LYS A 98 4.913 -10.013 -11.534 1.00 0.00 C ATOM 1340 C LYS A 98 6.116 -9.627 -10.741 1.00 0.00 C ATOM 1341 O LYS A 98 7.118 -10.340 -10.687 1.00 0.00 O ATOM 1342 CB LYS A 98 4.518 -8.933 -12.566 1.00 0.00 C ATOM 1343 CG LYS A 98 5.554 -8.632 -13.675 1.00 0.00 C ATOM 1344 CD LYS A 98 6.655 -7.671 -13.231 1.00 0.00 C ATOM 1345 CE LYS A 98 7.691 -7.482 -14.316 1.00 0.00 C ATOM 1346 NZ LYS A 98 8.713 -6.474 -13.949 1.00 0.00 N ATOM 0 H LYS A 98 3.263 -9.571 -10.302 1.00 0.00 H new ATOM 0 HA LYS A 98 5.202 -10.910 -12.082 1.00 0.00 H new ATOM 0 HB2 LYS A 98 3.587 -9.239 -13.042 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.312 -8.007 -12.030 1.00 0.00 H new ATOM 0 HG2 LYS A 98 6.008 -9.568 -14.001 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.039 -8.210 -14.538 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.217 -6.707 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.134 -8.055 -12.331 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.180 -8.435 -14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.197 -7.176 -15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.401 -6.379 -14.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.252 -5.557 -13.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.205 -6.777 -13.084 1.00 0.00 H new ATOM 1360 N ALA A 99 5.927 -8.500 -10.147 1.00 0.00 N ATOM 1361 CA ALA A 99 6.887 -7.670 -9.432 1.00 0.00 C ATOM 1362 C ALA A 99 8.077 -8.409 -8.805 1.00 0.00 C ATOM 1363 O ALA A 99 9.145 -8.490 -9.493 1.00 0.00 O ATOM 1364 CB ALA A 99 6.143 -6.849 -8.421 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.976 -8.872 -7.652 1.00 0.00 O ATOM 0 H ALA A 99 5.000 -8.074 -10.139 1.00 0.00 H new ATOM 0 HA ALA A 99 7.365 -7.035 -10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.846 -6.220 -7.875 1.00 0.00 H new ATOM 0 HB2 ALA A 99 5.413 -6.220 -8.930 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.629 -7.510 -7.723 1.00 0.00 H new TER 1371 ALA A 99