USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 571 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 101 SER OG : rot 40:sc= 1.19 USER MOD Set 1.2: A 103 TYR OH : rot 142:sc= 2 USER MOD Set 2.1: A 59 SER OG : rot 95:sc= 0.551 USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.504 USER MOD Set 3.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 163:sc= 1.21 (180deg=1.03) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0235 USER MOD Single : A 50 ASN : amide:sc= 0.95 K(o=0.95,f=-8.1!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 140:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 13:sc= 1.05 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.782 K(o=0.78,f=-0.48) USER MOD Single : A 90 GLN : amide:sc= -0.0851 X(o=-0.085,f=-0.096) USER MOD Single : A 91 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.065) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 0.904 (180deg=0.857) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0.417 K(o=0.42,f=-0.096) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0.185 X(o=0.19,f=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 40 3.865 4.138 2.409 1.00 0.00 N0 ATOM 29 CA PRO A 40 4.420 4.090 1.062 1.00 0.00 C0 ATOM 30 C PRO A 40 5.893 3.703 1.087 1.00 0.00 C0 ATOM 31 O PRO A 40 6.598 3.967 2.061 1.00 0.00 O0 ATOM 32 CB PRO A 40 4.221 5.522 0.556 1.00 0.00 C0 ATOM 33 CG PRO A 40 3.058 6.029 1.339 1.00 0.00 C0 ATOM 34 CD PRO A 40 3.240 5.430 2.708 1.00 0.00 C0 ATOM 0 HA PRO A 40 3.944 3.345 0.425 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.110 6.131 0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 40 4.019 5.541 -0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.050 7.118 1.379 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.113 5.720 0.892 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.874 6.050 3.341 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.290 5.310 3.228 1.00 0.00 H new ATOM 42 N LYS A 41 6.354 3.076 0.010 1.00 0.00 N0 ATOM 43 CA LYS A 41 7.747 2.662 -0.099 1.00 0.00 C0 ATOM 44 C LYS A 41 8.688 3.849 0.054 1.00 0.00 C0 ATOM 45 O LYS A 41 8.649 4.790 -0.741 1.00 0.00 O0 ATOM 46 CB LYS A 41 7.995 1.962 -1.436 1.00 0.00 C0 ATOM 47 CG LYS A 41 9.426 1.480 -1.637 1.00 0.00 C0 ATOM 48 CD LYS A 41 9.757 0.324 -0.706 1.00 0.00 C0 ATOM 49 CE LYS A 41 11.194 -0.142 -0.889 1.00 0.00 C0 ATOM 50 NZ LYS A 41 12.173 0.887 -0.448 1.00 0.00 N0 ATOM 0 H LYS A 41 5.781 2.843 -0.801 1.00 0.00 H new ATOM 0 HA LYS A 41 7.950 1.960 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.322 1.108 -1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.738 2.647 -2.244 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.564 1.167 -2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.118 2.303 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.602 0.632 0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.077 -0.506 -0.897 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.353 -1.060 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.367 -0.381 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.105 0.445 -0.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 12.243 1.632 -1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.856 1.305 0.450 1.00 0.00 H new ATOM 64 N GLY A 42 9.534 3.801 1.076 1.00 0.00 N0 ATOM 65 CA GLY A 42 10.474 4.883 1.345 1.00 0.00 C0 ATOM 66 C GLY A 42 10.024 5.720 2.536 1.00 0.00 C0 ATOM 67 O GLY A 42 10.808 6.482 3.102 1.00 0.00 O0 ATOM 0 H GLY A 42 9.589 3.023 1.733 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.463 4.469 1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.563 5.518 0.464 1.00 0.00 H new ATOM 71 N SER A 43 8.759 5.571 2.913 1.00 0.00 N0 ATOM 72 CA SER A 43 8.191 6.345 4.011 1.00 0.00 C0 ATOM 73 C SER A 43 8.330 5.606 5.336 1.00 0.00 C0 ATOM 74 O SER A 43 8.177 4.385 5.395 1.00 0.00 O0 ATOM 75 CB SER A 43 6.730 6.641 3.739 1.00 0.00 C0 ATOM 76 OG SER A 43 6.133 7.280 4.836 1.00 0.00 O0 ATOM 0 H SER A 43 8.107 4.921 2.474 1.00 0.00 H new ATOM 0 HA SER A 43 8.743 7.282 4.083 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.642 7.272 2.854 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.201 5.713 3.523 1.00 0.00 H new ATOM 0 HG SER A 43 5.191 7.462 4.636 1.00 0.00 H new ATOM 82 N ALA A 44 8.623 6.351 6.395 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.703 5.782 7.735 1.00 0.00 C0 ATOM 84 C ALA A 44 7.314 5.521 8.305 1.00 0.00 C0 ATOM 85 O ALA A 44 6.369 6.258 8.027 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.489 6.701 8.657 1.00 0.00 C0 ATOM 0 H ALA A 44 8.810 7.353 6.352 1.00 0.00 H new ATOM 0 HA ALA A 44 9.224 4.827 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.539 6.261 9.653 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.498 6.831 8.267 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.994 7.670 8.713 1.00 0.00 H new ATOM 92 N PHE A 45 7.198 4.468 9.106 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.915 4.084 9.687 1.00 0.00 C0 ATOM 94 C PHE A 45 5.932 4.230 11.204 1.00 0.00 C0 ATOM 95 O PHE A 45 6.614 3.480 11.902 1.00 0.00 O0 ATOM 96 CB PHE A 45 5.569 2.643 9.313 1.00 0.00 C0 ATOM 97 CG PHE A 45 4.213 2.203 9.785 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 3.150 2.110 8.897 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 3.995 1.883 11.117 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 1.901 1.706 9.331 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 2.748 1.477 11.552 1.00 0.00 C0 ATOM 102 CZ PHE A 45 1.701 1.389 10.658 1.00 0.00 C0 ATOM 0 H PHE A 45 7.977 3.864 9.369 1.00 0.00 H new ATOM 0 HA PHE A 45 5.155 4.753 9.283 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.618 2.537 8.229 1.00 0.00 H new ATOM 0 HB3 PHE A 45 6.323 1.977 9.733 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.300 2.356 7.856 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.810 1.952 11.823 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.082 1.639 8.630 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.593 1.229 12.592 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.726 1.072 10.997 1.00 0.00 H new ATOM 112 N VAL A 46 5.177 5.201 11.707 1.00 0.00 N0 ATOM 113 CA VAL A 46 5.159 5.495 13.136 1.00 0.00 C0 ATOM 114 C VAL A 46 3.785 5.230 13.736 1.00 0.00 C0 ATOM 115 O VAL A 46 2.774 5.721 13.235 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.550 6.964 13.384 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 5.526 7.277 14.872 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 6.926 7.240 12.797 1.00 0.00 C0 ATOM 0 H VAL A 46 4.569 5.798 11.146 1.00 0.00 H new ATOM 0 HA VAL A 46 5.882 4.838 13.618 1.00 0.00 H new ATOM 0 HB VAL A 46 4.825 7.611 12.891 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.805 8.319 15.029 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.523 7.107 15.264 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.233 6.630 15.391 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.196 8.281 12.976 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.661 6.588 13.270 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.909 7.049 11.724 1.00 0.00 H new ATOM 128 N ARG A 47 3.755 4.449 14.811 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.510 4.161 15.513 1.00 0.00 C0 ATOM 130 C ARG A 47 2.578 4.620 16.964 1.00 0.00 C0 ATOM 131 O ARG A 47 3.345 4.078 17.761 1.00 0.00 O0 ATOM 132 CB ARG A 47 2.203 2.672 15.469 1.00 0.00 C0 ATOM 133 CG ARG A 47 0.974 2.248 16.257 1.00 0.00 C0 ATOM 134 CD ARG A 47 0.564 0.859 15.932 1.00 0.00 C0 ATOM 135 NE ARG A 47 -0.028 0.764 14.607 1.00 0.00 N0 ATOM 136 CZ ARG A 47 -0.339 -0.391 13.988 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 -0.110 -1.539 14.586 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 -0.875 -0.371 12.780 1.00 0.00 N0 ATOM 0 H ARG A 47 4.579 4.004 15.215 1.00 0.00 H new ATOM 0 HA ARG A 47 1.715 4.709 15.008 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.070 2.374 14.429 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.067 2.126 15.849 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.182 2.326 17.324 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.151 2.930 16.042 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.431 0.202 15.990 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.152 0.508 16.675 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.221 1.634 14.111 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.303 -1.555 15.518 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.345 -2.414 14.118 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.053 0.520 12.316 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.110 -1.246 12.312 1.00 0.00 H new ATOM 152 N ALA A 48 1.772 5.621 17.303 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.680 6.099 18.676 1.00 0.00 C0 ATOM 154 C ALA A 48 0.697 5.262 19.486 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.242 4.686 18.936 1.00 0.00 O0 ATOM 156 CB ALA A 48 1.272 7.565 18.700 1.00 0.00 C0 ATOM 0 H ALA A 48 1.172 6.117 16.644 1.00 0.00 H new ATOM 0 HA ALA A 48 2.664 5.999 19.134 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.207 7.908 19.733 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.015 8.158 18.166 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.301 7.680 18.218 1.00 0.00 H new ATOM 162 N TYR A 49 0.919 5.200 20.794 1.00 0.00 N0 ATOM 163 CA TYR A 49 0.076 4.402 21.676 1.00 0.00 C0 ATOM 164 C TYR A 49 -0.258 5.161 22.955 1.00 0.00 C0 ATOM 165 O TYR A 49 0.621 5.739 23.593 1.00 0.00 O0 ATOM 166 CB TYR A 49 0.759 3.074 22.011 1.00 0.00 C0 ATOM 167 CG TYR A 49 -0.031 2.204 22.964 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 -1.183 1.567 22.528 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 0.396 2.044 24.273 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -1.905 0.772 23.397 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 -0.326 1.249 25.144 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -1.473 0.615 24.708 1.00 0.00 C0 ATOM 173 OH TYR A 49 -2.191 -0.176 25.575 1.00 0.00 O0 ATOM 0 H TYR A 49 1.676 5.693 21.267 1.00 0.00 H new ATOM 0 HA TYR A 49 -0.857 4.196 21.151 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.931 2.522 21.087 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.737 3.279 22.447 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.516 1.692 21.508 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.293 2.540 24.613 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.802 0.274 23.058 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.007 1.124 26.164 1.00 0.00 H new ATOM 0 HH TYR A 49 -1.754 -0.181 26.452 1.00 0.00 H new ATOM 183 N ASN A 50 -1.535 5.156 23.322 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.984 5.825 24.537 1.00 0.00 C0 ATOM 185 C ASN A 50 -2.010 4.865 25.719 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.961 4.104 25.893 1.00 0.00 O0 ATOM 187 CB ASN A 50 -3.351 6.450 24.328 1.00 0.00 C0 ATOM 188 CG ASN A 50 -3.822 7.227 25.526 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -3.204 7.175 26.596 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -4.902 7.947 25.368 1.00 0.00 N0 ATOM 0 H ASN A 50 -2.277 4.696 22.795 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.271 6.617 24.765 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -3.315 7.111 23.462 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -4.074 5.666 24.101 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -5.267 8.496 26.146 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.379 7.960 24.467 1.00 0.00 H new ATOM 197 N ALA A 51 -0.957 4.903 26.529 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.830 3.998 27.665 1.00 0.00 C0 ATOM 199 C ALA A 51 -1.429 4.608 28.926 1.00 0.00 C0 ATOM 200 O ALA A 51 -1.327 4.039 30.012 1.00 0.00 O0 ATOM 201 CB ALA A 51 0.629 3.636 27.895 1.00 0.00 C0 ATOM 0 H ALA A 51 -0.178 5.552 26.419 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.386 3.089 27.433 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.706 2.960 28.746 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.027 3.147 27.006 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.201 4.541 28.098 1.00 0.00 H new ATOM 207 N GLY A 52 -2.055 5.771 28.774 1.00 0.00 N0 ATOM 208 CA GLY A 52 -2.630 6.486 29.908 1.00 0.00 C0 ATOM 209 C GLY A 52 -4.117 6.189 30.048 1.00 0.00 C0 ATOM 210 O GLY A 52 -4.628 5.233 29.466 1.00 0.00 O0 ATOM 0 H GLY A 52 -2.177 6.239 27.876 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.111 6.200 30.823 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.481 7.558 29.779 1.00 0.00 H new ATOM 214 N ASN A 53 -4.809 7.015 30.827 1.00 0.00 N0 ATOM 215 CA ASN A 53 -6.240 6.844 31.046 1.00 0.00 C0 ATOM 216 C ASN A 53 -7.007 8.111 30.691 1.00 0.00 C0 ATOM 217 O ASN A 53 -8.006 8.442 31.329 1.00 0.00 O0 ATOM 218 CB ASN A 53 -6.515 6.436 32.482 1.00 0.00 C0 ATOM 219 CG ASN A 53 -5.992 5.064 32.804 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -6.479 4.060 32.271 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -5.010 5.001 33.666 1.00 0.00 N0 ATOM 0 H ASN A 53 -4.400 7.810 31.318 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.587 6.048 30.388 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.059 7.162 33.156 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.589 6.463 32.664 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -4.615 4.097 33.923 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -4.640 5.856 34.081 1.00 0.00 H new ATOM 228 N SER A 54 -6.534 8.817 29.669 1.00 0.00 N0 ATOM 229 CA SER A 54 -7.186 10.040 29.216 1.00 0.00 C0 ATOM 230 C SER A 54 -6.797 10.371 27.781 1.00 0.00 C0 ATOM 231 O SER A 54 -6.035 9.640 27.150 1.00 0.00 O0 ATOM 232 CB SER A 54 -6.820 11.194 30.128 1.00 0.00 C0 ATOM 233 OG SER A 54 -5.476 11.558 29.964 1.00 0.00 O0 ATOM 0 H SER A 54 -5.701 8.563 29.139 1.00 0.00 H new ATOM 0 HA SER A 54 -8.264 9.880 29.250 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.461 12.049 29.913 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.000 10.913 31.166 1.00 0.00 H new ATOM 0 HG SER A 54 -5.264 12.305 30.561 1.00 0.00 H new ATOM 239 N GLU A 55 -7.326 11.478 27.272 1.00 0.00 N0 ATOM 240 CA GLU A 55 -7.001 11.934 25.925 1.00 0.00 C0 ATOM 241 C GLU A 55 -5.496 12.094 25.746 1.00 0.00 C0 ATOM 242 O GLU A 55 -4.843 12.802 26.512 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.705 13.259 25.625 1.00 0.00 C0 ATOM 244 CG GLU A 55 -7.476 13.787 24.216 1.00 0.00 C0 ATOM 245 CD GLU A 55 -8.168 15.098 23.963 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -8.823 15.583 24.854 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -8.039 15.615 22.879 1.00 0.00 O0 ATOM 0 H GLU A 55 -7.983 12.077 27.772 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.351 11.177 25.224 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.776 13.131 25.783 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.365 14.008 26.340 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.406 13.908 24.048 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.830 13.050 23.495 1.00 0.00 H new ATOM 254 N LEU A 56 -4.952 11.434 24.730 1.00 0.00 N0 ATOM 255 CA LEU A 56 -3.520 11.486 24.461 1.00 0.00 C0 ATOM 256 C LEU A 56 -3.107 12.858 23.942 1.00 0.00 C0 ATOM 257 O LEU A 56 -3.675 13.362 22.974 1.00 0.00 O0 ATOM 258 CB LEU A 56 -3.133 10.408 23.440 1.00 0.00 C0 ATOM 259 CG LEU A 56 -1.629 10.235 23.195 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -0.954 9.773 24.478 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -1.410 9.232 22.071 1.00 0.00 C0 ATOM 0 H LEU A 56 -5.482 10.856 24.078 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.996 11.301 25.399 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.540 9.454 23.774 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.613 10.644 22.490 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.188 11.187 22.899 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.115 9.650 24.303 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.111 10.516 25.260 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.382 8.821 24.792 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.341 9.109 21.896 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.845 8.272 22.350 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.887 9.596 21.161 1.00 0.00 H new ATOM 273 N ASP A 57 -2.113 13.455 24.591 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.574 14.737 24.153 1.00 0.00 C0 ATOM 275 C ASP A 57 -0.143 14.590 23.653 1.00 0.00 C0 ATOM 276 O ASP A 57 0.811 14.864 24.382 1.00 0.00 O0 ATOM 277 CB ASP A 57 -1.620 15.756 25.294 1.00 0.00 C0 ATOM 278 CG ASP A 57 -1.139 17.139 24.873 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -0.616 17.260 23.791 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -1.300 18.059 25.638 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.664 13.071 25.423 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.193 15.093 23.330 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.641 15.830 25.667 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.004 15.398 26.119 1.00 0.00 H new ATOM 285 N VAL A 58 0.001 14.155 22.405 1.00 0.00 N0 ATOM 286 CA VAL A 58 1.317 13.933 21.818 1.00 0.00 C0 ATOM 287 C VAL A 58 1.402 14.525 20.418 1.00 0.00 C0 ATOM 288 O VAL A 58 0.490 14.359 19.607 1.00 0.00 O0 ATOM 289 CB VAL A 58 1.627 12.427 21.756 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 2.947 12.183 21.041 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 1.660 11.846 23.162 1.00 0.00 C0 ATOM 0 H VAL A 58 -0.779 13.949 21.780 1.00 0.00 H new ATOM 0 HA VAL A 58 2.051 14.431 22.452 1.00 0.00 H new ATOM 0 HB VAL A 58 0.840 11.928 21.191 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.150 11.113 21.007 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.888 12.574 20.025 1.00 0.00 H new ATOM 0 HG13 VAL A 58 3.750 12.687 21.578 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.880 10.780 23.110 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.432 12.348 23.745 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.691 11.994 23.640 1.00 0.00 H new ATOM 301 N SER A 59 2.503 15.214 20.137 1.00 0.00 N0 ATOM 302 CA SER A 59 2.742 15.770 18.810 1.00 0.00 C0 ATOM 303 C SER A 59 3.886 15.048 18.110 1.00 0.00 C0 ATOM 304 O SER A 59 5.031 15.095 18.561 1.00 0.00 O0 ATOM 305 CB SER A 59 3.052 17.250 18.913 1.00 0.00 C0 ATOM 306 OG SER A 59 3.261 17.807 17.645 1.00 0.00 O0 ATOM 0 H SER A 59 3.245 15.401 20.812 1.00 0.00 H new ATOM 0 HA SER A 59 1.837 15.631 18.218 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.229 17.764 19.409 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.938 17.398 19.530 1.00 0.00 H new ATOM 0 HG SER A 59 2.423 18.194 17.316 1.00 0.00 H new ATOM 312 N VAL A 60 3.570 14.383 17.004 1.00 0.00 N0 ATOM 313 CA VAL A 60 4.527 13.505 16.339 1.00 0.00 C0 ATOM 314 C VAL A 60 5.048 14.132 15.053 1.00 0.00 C0 ATOM 315 O VAL A 60 4.370 14.118 14.026 1.00 0.00 O0 ATOM 316 CB VAL A 60 3.872 12.148 16.017 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 4.865 11.231 15.319 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 3.352 11.508 17.295 1.00 0.00 C0 ATOM 0 H VAL A 60 2.659 14.435 16.549 1.00 0.00 H new ATOM 0 HA VAL A 60 5.366 13.354 17.018 1.00 0.00 H new ATOM 0 HB VAL A 60 3.031 12.311 15.343 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.386 10.277 15.099 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.196 11.694 14.390 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.725 11.064 15.968 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.890 10.549 17.060 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.180 11.352 17.987 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.613 12.163 17.755 1.00 0.00 H new ATOM 328 N GLY A 61 6.256 14.681 15.116 1.00 0.00 N0 ATOM 329 CA GLY A 61 6.897 15.257 13.941 1.00 0.00 C0 ATOM 330 C GLY A 61 6.170 16.512 13.475 1.00 0.00 C0 ATOM 331 O GLY A 61 6.209 17.548 14.141 1.00 0.00 O0 ATOM 0 H GLY A 61 6.811 14.739 15.970 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.934 15.499 14.172 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.913 14.523 13.136 1.00 0.00 H new ATOM 335 N SER A 62 5.507 16.415 12.328 1.00 0.00 N0 ATOM 336 CA SER A 62 4.811 17.557 11.746 1.00 0.00 C0 ATOM 337 C SER A 62 3.311 17.476 12.001 1.00 0.00 C0 ATOM 338 O SER A 62 2.568 18.408 11.692 1.00 0.00 O0 ATOM 339 CB SER A 62 5.076 17.625 10.255 1.00 0.00 C0 ATOM 340 OG SER A 62 4.547 16.507 9.599 1.00 0.00 O0 ATOM 0 H SER A 62 5.437 15.556 11.782 1.00 0.00 H new ATOM 0 HA SER A 62 5.191 18.461 12.223 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.635 18.534 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.150 17.682 10.075 1.00 0.00 H new ATOM 0 HG SER A 62 4.729 16.575 8.638 1.00 0.00 H new ATOM 346 N THR A 63 2.871 16.357 12.566 1.00 0.00 N0 ATOM 347 CA THR A 63 1.450 16.117 12.786 1.00 0.00 C0 ATOM 348 C THR A 63 1.150 15.906 14.264 1.00 0.00 C0 ATOM 349 O THR A 63 1.613 14.940 14.870 1.00 0.00 O0 ATOM 350 CB THR A 63 0.962 14.898 11.980 1.00 0.00 C0 ATOM 351 OG1 THR A 63 1.177 15.129 10.583 1.00 0.00 O0 ATOM 352 CG2 THR A 63 -0.518 14.653 12.228 1.00 0.00 C0 ATOM 0 H THR A 63 3.479 15.601 12.880 1.00 0.00 H new ATOM 0 HA THR A 63 0.916 17.003 12.443 1.00 0.00 H new ATOM 0 HB THR A 63 1.524 14.021 12.301 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.868 14.352 10.072 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.845 13.788 11.651 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.683 14.465 13.289 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.088 15.530 11.922 1.00 0.00 H new ATOM 360 N SER A 64 0.371 16.816 14.840 1.00 0.00 N0 ATOM 361 CA SER A 64 -0.043 16.699 16.233 1.00 0.00 C0 ATOM 362 C SER A 64 -1.199 15.719 16.384 1.00 0.00 C0 ATOM 363 O SER A 64 -2.072 15.637 15.520 1.00 0.00 O0 ATOM 364 CB SER A 64 -0.446 18.058 16.774 1.00 0.00 C0 ATOM 365 OG SER A 64 0.646 18.936 16.790 1.00 0.00 O0 ATOM 0 H SER A 64 0.014 17.643 14.363 1.00 0.00 H new ATOM 0 HA SER A 64 0.804 16.319 16.804 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.244 18.476 16.160 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.844 17.948 17.783 1.00 0.00 H new ATOM 0 HG SER A 64 0.361 19.806 17.141 1.00 0.00 H new ATOM 371 N LEU A 65 -1.199 14.978 17.487 1.00 0.00 N0 ATOM 372 CA LEU A 65 -2.196 13.937 17.709 1.00 0.00 C0 ATOM 373 C LEU A 65 -3.074 14.263 18.910 1.00 0.00 C0 ATOM 374 O LEU A 65 -2.596 14.328 20.043 1.00 0.00 O0 ATOM 375 CB LEU A 65 -1.509 12.582 17.924 1.00 0.00 C0 ATOM 376 CG LEU A 65 -2.445 11.395 18.183 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 -3.325 11.168 16.962 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 -1.618 10.157 18.500 1.00 0.00 C0 ATOM 0 H LEU A 65 -0.520 15.079 18.241 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.829 13.886 16.823 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.904 12.359 17.045 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.825 12.672 18.768 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.089 11.606 19.037 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.991 10.324 17.145 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.917 12.062 16.769 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.698 10.954 16.096 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.283 9.313 18.684 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.967 9.929 17.656 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.012 10.342 19.387 1.00 0.00 H new ATOM 390 N ASN A 66 -4.362 14.469 18.656 1.00 0.00 N0 ATOM 391 CA ASN A 66 -5.314 14.767 19.719 1.00 0.00 C0 ATOM 392 C ASN A 66 -6.550 13.884 19.616 1.00 0.00 C0 ATOM 393 O ASN A 66 -6.731 13.166 18.632 1.00 0.00 O0 ATOM 394 CB ASN A 66 -5.704 16.235 19.690 1.00 0.00 C0 ATOM 395 CG ASN A 66 -4.552 17.144 20.015 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -4.020 17.120 21.131 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -4.155 17.948 19.061 1.00 0.00 N0 ATOM 0 H ASN A 66 -4.771 14.435 17.722 1.00 0.00 H new ATOM 0 HA ASN A 66 -4.829 14.555 20.672 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -6.092 16.485 18.703 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.511 16.407 20.403 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.378 18.588 19.224 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.623 17.934 18.155 1.00 0.00 H new ATOM 404 N ASP A 67 -7.398 13.939 20.637 1.00 0.00 N0 ATOM 405 CA ASP A 67 -8.635 13.166 20.649 1.00 0.00 C0 ATOM 406 C ASP A 67 -8.359 11.683 20.438 1.00 0.00 C0 ATOM 407 O ASP A 67 -8.850 11.080 19.484 1.00 0.00 O0 ATOM 408 CB ASP A 67 -9.595 13.671 19.568 1.00 0.00 C0 ATOM 409 CG ASP A 67 -11.021 13.178 19.767 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -11.364 12.841 20.875 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -11.755 13.144 18.807 1.00 0.00 O0 ATOM 0 H ASP A 67 -7.251 14.512 21.468 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.097 13.297 21.628 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.590 14.761 19.565 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.237 13.347 18.591 1.00 0.00 H new ATOM 416 N VAL A 68 -7.571 11.100 21.335 1.00 0.00 N0 ATOM 417 CA VAL A 68 -7.292 9.669 21.296 1.00 0.00 C0 ATOM 418 C VAL A 68 -7.705 8.991 22.596 1.00 0.00 C0 ATOM 419 O VAL A 68 -7.278 9.392 23.679 1.00 0.00 O0 ATOM 420 CB VAL A 68 -5.792 9.423 21.046 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -5.490 7.932 21.050 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -5.377 10.054 19.725 1.00 0.00 C0 ATOM 0 H VAL A 68 -7.114 11.597 22.099 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.874 9.241 20.479 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.218 9.886 21.849 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.426 7.776 20.872 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.762 7.508 22.017 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.065 7.442 20.264 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.315 9.876 19.555 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.954 9.611 18.913 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.564 11.127 19.760 1.00 0.00 H new ATOM 432 N ALA A 69 -8.539 7.963 22.482 1.00 0.00 N0 ATOM 433 CA ALA A 69 -9.044 7.253 23.651 1.00 0.00 C0 ATOM 434 C ALA A 69 -7.941 6.446 24.324 1.00 0.00 C0 ATOM 435 O ALA A 69 -6.964 6.057 23.684 1.00 0.00 O0 ATOM 436 CB ALA A 69 -10.202 6.345 23.260 1.00 0.00 C0 ATOM 0 H ALA A 69 -8.880 7.603 21.591 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.403 7.994 24.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.568 5.822 24.143 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.006 6.944 22.834 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.861 5.618 22.523 1.00 0.00 H new ATOM 442 N PRO A 70 -8.105 6.195 25.619 1.00 0.00 N0 ATOM 443 CA PRO A 70 -7.151 5.387 26.369 1.00 0.00 C0 ATOM 444 C PRO A 70 -6.911 4.044 25.689 1.00 0.00 C0 ATOM 445 O PRO A 70 -7.853 3.387 25.244 1.00 0.00 O0 ATOM 446 CB PRO A 70 -7.837 5.217 27.728 1.00 0.00 C0 ATOM 447 CG PRO A 70 -8.681 6.438 27.866 1.00 0.00 C0 ATOM 448 CD PRO A 70 -9.208 6.688 26.478 1.00 0.00 C0 ATOM 0 HA PRO A 70 -6.164 5.844 26.446 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.441 4.310 27.759 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -7.109 5.143 28.535 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.492 6.282 28.577 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -8.098 7.285 28.228 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.137 6.148 26.294 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.414 7.745 26.307 1.00 0.00 H new ATOM 456 N LEU A 71 -5.648 3.643 25.613 1.00 0.00 N0 ATOM 457 CA LEU A 71 -5.284 2.370 25.001 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.556 2.382 23.502 1.00 0.00 C0 ATOM 459 O LEU A 71 -5.700 1.331 22.879 1.00 0.00 O0 ATOM 460 CB LEU A 71 -6.062 1.224 25.659 1.00 0.00 C0 ATOM 461 CG LEU A 71 -5.983 1.160 27.189 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -6.803 -0.021 27.691 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -4.528 1.035 27.618 1.00 0.00 C0 ATOM 0 H LEU A 71 -4.857 4.181 25.968 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.216 2.218 25.155 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.110 1.308 25.371 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.695 0.281 25.255 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.393 2.073 27.621 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.747 -0.067 28.779 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.842 0.102 27.386 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.407 -0.945 27.268 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.472 0.990 28.706 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.101 0.126 27.194 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.968 1.900 27.262 1.00 0.00 H new ATOM 475 N GLY A 72 -5.626 3.579 22.927 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.783 3.729 21.486 1.00 0.00 C0 ATOM 477 C GLY A 72 -4.433 3.875 20.797 1.00 0.00 C0 ATOM 478 O GLY A 72 -3.387 3.646 21.404 1.00 0.00 O0 ATOM 0 H GLY A 72 -5.576 4.460 23.439 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.308 2.863 21.083 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.399 4.603 21.274 1.00 0.00 H new ATOM 482 N SER A 73 -4.463 4.258 19.524 1.00 0.00 N0 ATOM 483 CA SER A 73 -3.245 4.378 18.732 1.00 0.00 C0 ATOM 484 C SER A 73 -3.482 5.210 17.479 1.00 0.00 C0 ATOM 485 O SER A 73 -4.624 5.499 17.121 1.00 0.00 O0 ATOM 486 CB SER A 73 -2.735 3.002 18.346 1.00 0.00 C0 ATOM 487 OG SER A 73 -3.606 2.381 17.440 1.00 0.00 O0 ATOM 0 H SER A 73 -5.318 4.491 19.019 1.00 0.00 H new ATOM 0 HA SER A 73 -2.497 4.884 19.342 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.743 3.089 17.902 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.632 2.385 19.238 1.00 0.00 H new ATOM 0 HG SER A 73 -3.256 1.496 17.204 1.00 0.00 H new ATOM 493 N SER A 74 -2.397 5.595 16.815 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.488 6.356 15.575 1.00 0.00 C0 ATOM 495 C SER A 74 -1.241 6.164 14.720 1.00 0.00 C0 ATOM 496 O SER A 74 -0.120 6.184 15.227 1.00 0.00 O0 ATOM 497 CB SER A 74 -2.681 7.828 15.879 1.00 0.00 C0 ATOM 498 OG SER A 74 -2.755 8.580 14.700 1.00 0.00 O0 ATOM 0 H SER A 74 -1.444 5.392 17.116 1.00 0.00 H new ATOM 0 HA SER A 74 -3.348 5.987 15.016 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.593 7.966 16.460 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.855 8.187 16.492 1.00 0.00 H new ATOM 0 HG SER A 74 -3.444 9.270 14.795 1.00 0.00 H new ATOM 504 N ASP A 75 -1.446 5.981 13.420 1.00 0.00 N0 ATOM 505 CA ASP A 75 -0.342 5.740 12.497 1.00 0.00 C0 ATOM 506 C ASP A 75 0.039 7.011 11.750 1.00 0.00 C0 ATOM 507 O ASP A 75 -0.820 7.826 11.415 1.00 0.00 O0 ATOM 508 CB ASP A 75 -0.709 4.642 11.495 1.00 0.00 C0 ATOM 509 CG ASP A 75 -0.860 3.273 12.144 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 -0.394 3.106 13.247 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -1.439 2.408 11.532 1.00 0.00 O0 ATOM 0 H ASP A 75 -2.367 5.995 12.981 1.00 0.00 H new ATOM 0 HA ASP A 75 0.516 5.415 13.086 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.642 4.908 10.998 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.059 4.590 10.723 1.00 0.00 H new ATOM 516 N PHE A 76 1.333 7.175 11.493 1.00 0.00 N0 ATOM 517 CA PHE A 76 1.829 8.344 10.778 1.00 0.00 C0 ATOM 518 C PHE A 76 2.718 7.940 9.609 1.00 0.00 C0 ATOM 519 O PHE A 76 3.377 6.901 9.649 1.00 0.00 O0 ATOM 520 CB PHE A 76 2.608 9.259 11.725 1.00 0.00 C0 ATOM 521 CG PHE A 76 1.817 9.707 12.921 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 1.798 8.948 14.083 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 1.091 10.888 12.889 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 1.070 9.360 15.183 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 0.365 11.303 13.987 1.00 0.00 C0 ATOM 526 CZ PHE A 76 0.354 10.537 15.136 1.00 0.00 C0 ATOM 0 H PHE A 76 2.057 6.512 11.770 1.00 0.00 H new ATOM 0 HA PHE A 76 0.966 8.882 10.386 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.502 8.737 12.067 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.943 10.137 11.173 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.358 8.026 14.128 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.094 11.491 11.993 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.062 8.759 16.080 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.194 12.226 13.948 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.214 10.859 15.996 1.00 0.00 H new ATOM 536 N LYS A 77 2.732 8.766 8.569 1.00 0.00 N0 ATOM 537 CA LYS A 77 3.527 8.486 7.379 1.00 0.00 C0 ATOM 538 C LYS A 77 4.490 9.628 7.081 1.00 0.00 C0 ATOM 539 O LYS A 77 4.070 10.764 6.857 1.00 0.00 O0 ATOM 540 CB LYS A 77 2.620 8.234 6.175 1.00 0.00 C0 ATOM 541 CG LYS A 77 1.738 6.999 6.299 1.00 0.00 C0 ATOM 542 CD LYS A 77 0.764 6.895 5.135 1.00 0.00 C0 ATOM 543 CE LYS A 77 -0.099 5.647 5.243 1.00 0.00 C0 ATOM 544 NZ LYS A 77 -1.106 5.570 4.151 1.00 0.00 N0 ATOM 0 H LYS A 77 2.201 9.636 8.526 1.00 0.00 H new ATOM 0 HA LYS A 77 4.113 7.587 7.573 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.984 9.106 6.026 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.239 8.135 5.283 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.362 6.106 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.184 7.038 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.127 7.779 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.317 6.876 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.537 4.762 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.608 5.640 6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.673 4.705 4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.730 6.401 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.620 5.550 3.232 1.00 0.00 H new ATOM 558 N PHE A 78 5.782 9.321 7.077 1.00 0.00 N0 ATOM 559 CA PHE A 78 6.807 10.321 6.801 1.00 0.00 C0 ATOM 560 C PHE A 78 7.683 9.902 5.627 1.00 0.00 C0 ATOM 561 O PHE A 78 8.645 9.153 5.794 1.00 0.00 O0 ATOM 562 CB PHE A 78 7.679 10.549 8.038 1.00 0.00 C0 ATOM 563 CG PHE A 78 6.942 11.163 9.193 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 6.306 10.365 10.132 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 6.881 12.540 9.343 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 5.627 10.929 11.196 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 6.205 13.107 10.406 1.00 0.00 C0 ATOM 568 CZ PHE A 78 5.577 12.301 11.333 1.00 0.00 C0 ATOM 0 H PHE A 78 6.145 8.386 7.262 1.00 0.00 H new ATOM 0 HA PHE A 78 6.301 11.251 6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.102 9.595 8.354 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.515 11.194 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.342 9.290 10.031 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.368 13.177 8.620 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.136 10.296 11.920 1.00 0.00 H new ATOM 0 HE2 PHE A 78 6.168 14.181 10.511 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.047 12.743 12.164 1.00 0.00 H new ATOM 578 N LEU A 79 7.344 10.391 4.438 1.00 0.00 N0 ATOM 579 CA LEU A 79 8.101 10.070 3.234 1.00 0.00 C0 ATOM 580 C LEU A 79 9.543 10.548 3.347 1.00 0.00 C0 ATOM 581 O LEU A 79 10.479 9.798 3.070 1.00 0.00 O0 ATOM 582 CB LEU A 79 7.438 10.708 2.007 1.00 0.00 C0 ATOM 583 CG LEU A 79 8.179 10.518 0.676 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 8.281 9.032 0.360 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 7.442 11.263 -0.426 1.00 0.00 C0 ATOM 0 H LEU A 79 6.549 11.011 4.283 1.00 0.00 H new ATOM 0 HA LEU A 79 8.107 8.986 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.434 10.297 1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.328 11.777 2.191 1.00 0.00 H new ATOM 0 HG LEU A 79 9.188 10.924 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.807 8.896 -0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.829 8.528 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.280 8.607 0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.968 11.128 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.429 10.871 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 79 7.400 12.325 -0.182 1.00 0.00 H new ATOM 597 N PRO A 80 9.716 11.800 3.755 1.00 0.00 N0 ATOM 598 CA PRO A 80 11.045 12.362 3.962 1.00 0.00 C0 ATOM 599 C PRO A 80 11.623 11.930 5.303 1.00 0.00 C0 ATOM 600 O PRO A 80 11.061 12.227 6.357 1.00 0.00 O0 ATOM 601 CB PRO A 80 10.792 13.872 3.915 1.00 0.00 C0 ATOM 602 CG PRO A 80 9.452 14.038 4.547 1.00 0.00 C0 ATOM 603 CD PRO A 80 8.658 12.858 4.054 1.00 0.00 C0 ATOM 0 HA PRO A 80 11.774 12.031 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.560 14.422 4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.798 14.245 2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 80 9.523 14.043 5.635 1.00 0.00 H new ATOM 0 HG3 PRO A 80 8.988 14.980 4.254 1.00 0.00 H new ATOM 0 HD2 PRO A 80 7.949 12.512 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.081 13.109 3.164 1.00 0.00 H new ATOM 611 N PRO A 81 12.750 11.227 5.258 1.00 0.00 N0 ATOM 612 CA PRO A 81 13.408 10.755 6.469 1.00 0.00 C0 ATOM 613 C PRO A 81 14.172 11.881 7.155 1.00 0.00 C0 ATOM 614 O PRO A 81 14.390 12.942 6.571 1.00 0.00 O0 ATOM 615 CB PRO A 81 14.354 9.668 5.948 1.00 0.00 C0 ATOM 616 CG PRO A 81 14.726 10.133 4.582 1.00 0.00 C0 ATOM 617 CD PRO A 81 13.465 10.748 4.038 1.00 0.00 C0 ATOM 0 HA PRO A 81 12.712 10.386 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.231 9.564 6.586 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.864 8.695 5.918 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.539 10.859 4.617 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.065 9.305 3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.682 11.568 3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.871 10.020 3.485 1.00 0.00 H new ATOM 625 N GLY A 82 14.575 11.643 8.398 1.00 0.00 N0 ATOM 626 CA GLY A 82 15.320 12.635 9.165 1.00 0.00 C0 ATOM 627 C GLY A 82 14.966 12.568 10.645 1.00 0.00 C0 ATOM 628 O GLY A 82 14.237 11.675 11.079 1.00 0.00 O0 ATOM 0 H GLY A 82 14.398 10.771 8.897 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.390 12.469 9.037 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.104 13.632 8.782 1.00 0.00 H new ATOM 632 N SER A 83 15.485 13.518 11.416 1.00 0.00 N0 ATOM 633 CA SER A 83 15.206 13.580 12.846 1.00 0.00 C0 ATOM 634 C SER A 83 13.886 14.288 13.120 1.00 0.00 C0 ATOM 635 O SER A 83 13.702 15.446 12.744 1.00 0.00 O0 ATOM 636 CB SER A 83 16.333 14.296 13.566 1.00 0.00 C0 ATOM 637 OG SER A 83 16.022 14.488 14.919 1.00 0.00 O0 ATOM 0 H SER A 83 16.101 14.256 11.074 1.00 0.00 H new ATOM 0 HA SER A 83 15.129 12.558 13.218 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.252 13.716 13.479 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.518 15.260 13.091 1.00 0.00 H new ATOM 0 HG SER A 83 16.764 14.950 15.363 1.00 0.00 H new ATOM 643 N TYR A 84 12.969 13.586 13.776 1.00 0.00 N0 ATOM 644 CA TYR A 84 11.688 14.168 14.160 1.00 0.00 C0 ATOM 645 C TYR A 84 11.484 14.104 15.669 1.00 0.00 C0 ATOM 646 O TYR A 84 11.935 13.167 16.326 1.00 0.00 O0 ATOM 647 CB TYR A 84 10.540 13.459 13.439 1.00 0.00 C0 ATOM 648 CG TYR A 84 10.514 13.701 11.946 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 11.318 12.945 11.106 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 9.686 14.680 11.417 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 11.294 13.166 9.743 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 9.663 14.901 10.054 1.00 0.00 C0 ATOM 653 CZ TYR A 84 10.462 14.148 9.218 1.00 0.00 C0 ATOM 654 OH TYR A 84 10.438 14.370 7.861 1.00 0.00 O0 ATOM 0 H TYR A 84 13.089 12.612 14.053 1.00 0.00 H new ATOM 0 HA TYR A 84 11.695 15.217 13.864 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.615 12.387 13.623 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.594 13.790 13.868 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.963 12.183 11.518 1.00 0.00 H new ATOM 0 HD2 TYR A 84 9.060 15.269 12.071 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.919 12.578 9.087 1.00 0.00 H new ATOM 0 HE2 TYR A 84 9.019 15.664 9.642 1.00 0.00 H new ATOM 0 HH TYR A 84 10.893 13.634 7.401 1.00 0.00 H new ATOM 664 N THR A 85 10.802 15.107 16.211 1.00 0.00 N0 ATOM 665 CA THR A 85 10.540 15.169 17.644 1.00 0.00 C0 ATOM 666 C THR A 85 9.115 14.734 17.963 1.00 0.00 C0 ATOM 667 O THR A 85 8.154 15.269 17.411 1.00 0.00 O0 ATOM 668 CB THR A 85 10.782 16.588 18.191 1.00 0.00 C0 ATOM 669 OG1 THR A 85 12.152 16.955 17.982 1.00 0.00 O0 ATOM 670 CG2 THR A 85 10.467 16.648 19.677 1.00 0.00 C0 ATOM 0 H THR A 85 10.420 15.889 15.679 1.00 0.00 H new ATOM 0 HA THR A 85 11.233 14.481 18.129 1.00 0.00 H new ATOM 0 HB THR A 85 10.127 17.281 17.663 1.00 0.00 H new ATOM 0 HG1 THR A 85 12.305 17.859 18.329 1.00 0.00 H new ATOM 0 HG21 THR A 85 10.644 17.658 20.046 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.423 16.380 19.839 1.00 0.00 H new ATOM 0 HG23 THR A 85 11.108 15.948 20.213 1.00 0.00 H new ATOM 678 N ALA A 86 8.986 13.759 18.857 1.00 0.00 N0 ATOM 679 CA ALA A 86 7.681 13.360 19.371 1.00 0.00 C0 ATOM 680 C ALA A 86 7.433 13.942 20.757 1.00 0.00 C0 ATOM 681 O ALA A 86 7.900 13.404 21.759 1.00 0.00 O0 ATOM 682 CB ALA A 86 7.569 11.843 19.407 1.00 0.00 C0 ATOM 0 H ALA A 86 9.770 13.231 19.241 1.00 0.00 H new ATOM 0 HA ALA A 86 6.919 13.755 18.699 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.590 11.560 19.793 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.691 11.445 18.400 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.346 11.436 20.054 1.00 0.00 H new ATOM 688 N GLN A 87 6.695 15.046 20.805 1.00 0.00 N0 ATOM 689 CA GLN A 87 6.478 15.769 22.052 1.00 0.00 C0 ATOM 690 C GLN A 87 5.407 15.094 22.901 1.00 0.00 C0 ATOM 691 O GLN A 87 4.254 14.980 22.487 1.00 0.00 O0 ATOM 692 CB GLN A 87 6.081 17.220 21.769 1.00 0.00 C0 ATOM 693 CG GLN A 87 5.950 18.083 23.012 1.00 0.00 C0 ATOM 694 CD GLN A 87 7.285 18.333 23.687 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 8.296 18.578 23.022 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 7.297 18.275 25.014 1.00 0.00 N0 ATOM 0 H GLN A 87 6.237 15.460 19.993 1.00 0.00 H new ATOM 0 HA GLN A 87 7.415 15.759 22.609 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.824 17.666 21.107 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.132 17.227 21.233 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.498 19.038 22.742 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.275 17.599 23.717 1.00 0.00 H new ATOM 0 HE21 GLN A 87 6.438 18.069 25.523 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.166 18.436 25.524 1.00 0.00 H new ATOM 705 N VAL A 88 5.797 14.648 24.091 1.00 0.00 N0 ATOM 706 CA VAL A 88 4.880 13.954 24.986 1.00 0.00 C0 ATOM 707 C VAL A 88 4.727 14.701 26.304 1.00 0.00 C0 ATOM 708 O VAL A 88 5.321 14.326 27.315 1.00 0.00 O0 ATOM 709 CB VAL A 88 5.385 12.525 25.265 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 4.405 11.778 26.157 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 5.594 11.784 23.954 1.00 0.00 C0 ATOM 0 H VAL A 88 6.743 14.755 24.457 1.00 0.00 H new ATOM 0 HA VAL A 88 3.908 13.909 24.495 1.00 0.00 H new ATOM 0 HB VAL A 88 6.340 12.584 25.788 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.778 10.771 26.344 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.299 12.307 27.104 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.435 11.720 25.663 1.00 0.00 H new ATOM 0 HG21 VAL A 88 5.951 10.775 24.159 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.650 11.732 23.411 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.331 12.314 23.350 1.00 0.00 H new ATOM 721 N GLY A 89 3.926 15.761 26.287 1.00 0.00 N0 ATOM 722 CA GLY A 89 3.727 16.590 27.470 1.00 0.00 C0 ATOM 723 C GLY A 89 4.982 17.389 27.799 1.00 0.00 C0 ATOM 724 O GLY A 89 5.358 18.301 27.063 1.00 0.00 O0 ATOM 0 H GLY A 89 3.404 16.067 25.466 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.892 17.271 27.304 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.461 15.960 28.319 1.00 0.00 H new ATOM 728 N GLN A 90 5.625 17.040 28.908 1.00 0.00 N0 ATOM 729 CA GLN A 90 6.866 17.692 29.310 1.00 0.00 C0 ATOM 730 C GLN A 90 8.080 16.918 28.813 1.00 0.00 C0 ATOM 731 O GLN A 90 9.219 17.357 28.978 1.00 0.00 O0 ATOM 732 CB GLN A 90 6.926 17.835 30.833 1.00 0.00 C0 ATOM 733 CG GLN A 90 5.816 18.688 31.422 1.00 0.00 C0 ATOM 734 CD GLN A 90 5.843 20.114 30.904 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 6.878 20.785 30.948 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 4.704 20.584 30.410 1.00 0.00 N0 ATOM 0 H GLN A 90 5.307 16.309 29.545 1.00 0.00 H new ATOM 0 HA GLN A 90 6.883 18.684 28.858 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.884 16.843 31.282 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.887 18.269 31.108 1.00 0.00 H new ATOM 0 HG2 GLN A 90 4.852 18.237 31.187 1.00 0.00 H new ATOM 0 HG3 GLN A 90 5.907 18.697 32.508 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.873 19.993 30.394 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.660 21.536 30.047 1.00 0.00 H new ATOM 745 N GLN A 91 7.831 15.764 28.202 1.00 0.00 N0 ATOM 746 CA GLN A 91 8.902 14.939 27.656 1.00 0.00 C0 ATOM 747 C GLN A 91 8.882 14.948 26.133 1.00 0.00 C0 ATOM 748 O GLN A 91 7.958 15.483 25.518 1.00 0.00 O0 ATOM 749 CB GLN A 91 8.788 13.502 28.172 1.00 0.00 C0 ATOM 750 CG GLN A 91 8.839 13.378 29.685 1.00 0.00 C0 ATOM 751 CD GLN A 91 10.169 13.829 30.258 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 11.232 13.371 29.832 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 10.117 14.733 31.230 1.00 0.00 N0 ATOM 0 H GLN A 91 6.895 15.379 28.073 1.00 0.00 H new ATOM 0 HA GLN A 91 9.850 15.362 27.989 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.852 13.073 27.815 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.595 12.909 27.743 1.00 0.00 H new ATOM 0 HG2 GLN A 91 8.037 13.973 30.123 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.657 12.341 29.968 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.215 15.085 31.552 1.00 0.00 H new ATOM 0 HE22 GLN A 91 10.979 15.075 31.655 1.00 0.00 H new ATOM 762 N SER A 92 9.904 14.353 25.529 1.00 0.00 N0 ATOM 763 CA SER A 92 9.973 14.236 24.077 1.00 0.00 C0 ATOM 764 C SER A 92 10.902 13.101 23.661 1.00 0.00 C0 ATOM 765 O SER A 92 11.794 12.710 24.411 1.00 0.00 O0 ATOM 766 CB SER A 92 10.452 15.541 23.470 1.00 0.00 C0 ATOM 767 OG SER A 92 11.784 15.798 23.818 1.00 0.00 O0 ATOM 0 H SER A 92 10.697 13.944 26.023 1.00 0.00 H new ATOM 0 HA SER A 92 8.972 14.012 23.709 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.358 15.498 22.385 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.819 16.359 23.812 1.00 0.00 H new ATOM 0 HG SER A 92 12.070 16.643 23.414 1.00 0.00 H new ATOM 773 N LEU A 93 10.684 12.578 22.459 1.00 0.00 N0 ATOM 774 CA LEU A 93 11.514 11.500 21.931 1.00 0.00 C0 ATOM 775 C LEU A 93 12.249 11.938 20.672 1.00 0.00 C0 ATOM 776 O LEU A 93 11.654 12.517 19.763 1.00 0.00 O0 ATOM 777 CB LEU A 93 10.651 10.270 21.626 1.00 0.00 C0 ATOM 778 CG LEU A 93 9.951 9.631 22.832 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 8.969 8.572 22.350 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 10.993 9.028 23.764 1.00 0.00 C0 ATOM 0 H LEU A 93 9.940 12.883 21.832 1.00 0.00 H new ATOM 0 HA LEU A 93 12.254 11.244 22.689 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.892 10.554 20.897 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.280 9.516 21.153 1.00 0.00 H new ATOM 0 HG LEU A 93 9.394 10.389 23.383 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.472 8.119 23.208 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.224 9.034 21.702 1.00 0.00 H new ATOM 0 HD13 LEU A 93 9.506 7.804 21.794 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.495 8.574 24.621 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.562 8.267 23.230 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.669 9.811 24.109 1.00 0.00 H new ATOM 792 N PRO A 94 13.547 11.658 20.624 1.00 0.00 N0 ATOM 793 CA PRO A 94 14.356 11.969 19.451 1.00 0.00 C0 ATOM 794 C PRO A 94 14.135 10.947 18.342 1.00 0.00 C0 ATOM 795 O PRO A 94 15.018 10.144 18.041 1.00 0.00 O0 ATOM 796 CB PRO A 94 15.787 11.915 19.993 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.737 10.862 21.048 1.00 0.00 C0 ATOM 798 CD PRO A 94 14.391 11.043 21.696 1.00 0.00 C0 ATOM 0 HA PRO A 94 14.110 12.931 19.000 1.00 0.00 H new ATOM 0 HB2 PRO A 94 16.501 11.661 19.209 1.00 0.00 H new ATOM 0 HB3 PRO A 94 16.094 12.877 20.404 1.00 0.00 H new ATOM 0 HG2 PRO A 94 15.841 9.865 20.619 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.545 10.984 21.770 1.00 0.00 H new ATOM 0 HD2 PRO A 94 13.979 10.091 22.030 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.454 11.688 22.572 1.00 0.00 H new ATOM 806 N VAL A 95 12.952 10.983 17.738 1.00 0.00 N0 ATOM 807 CA VAL A 95 12.528 9.930 16.823 1.00 0.00 C0 ATOM 808 C VAL A 95 13.148 10.115 15.444 1.00 0.00 C0 ATOM 809 O VAL A 95 12.521 10.668 14.540 1.00 0.00 O0 ATOM 810 CB VAL A 95 10.993 9.920 16.695 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 10.538 8.764 15.817 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 10.359 9.831 18.075 1.00 0.00 C0 ATOM 0 H VAL A 95 12.270 11.730 17.866 1.00 0.00 H new ATOM 0 HA VAL A 95 12.867 8.979 17.233 1.00 0.00 H new ATOM 0 HB VAL A 95 10.672 10.848 16.223 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.451 8.773 15.738 1.00 0.00 H new ATOM 0 HG12 VAL A 95 10.975 8.868 14.824 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.862 7.822 16.259 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.273 9.824 17.977 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.685 8.914 18.567 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.664 10.691 18.672 1.00 0.00 H new ATOM 822 N LYS A 96 14.382 9.650 15.289 1.00 0.00 N0 ATOM 823 CA LYS A 96 15.029 9.615 13.983 1.00 0.00 C0 ATOM 824 C LYS A 96 14.348 8.616 13.057 1.00 0.00 C0 ATOM 825 O LYS A 96 14.393 7.408 13.290 1.00 0.00 O0 ATOM 826 CB LYS A 96 16.512 9.271 14.128 1.00 0.00 C0 ATOM 827 CG LYS A 96 17.279 9.227 12.814 1.00 0.00 C0 ATOM 828 CD LYS A 96 18.761 8.968 13.047 1.00 0.00 C0 ATOM 829 CE LYS A 96 19.530 8.932 11.735 1.00 0.00 C0 ATOM 830 NZ LYS A 96 19.260 7.688 10.964 1.00 0.00 N0 ATOM 0 H LYS A 96 14.955 9.291 16.053 1.00 0.00 H new ATOM 0 HA LYS A 96 14.938 10.607 13.540 1.00 0.00 H new ATOM 0 HB2 LYS A 96 16.980 10.005 14.784 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.601 8.302 14.619 1.00 0.00 H new ATOM 0 HG2 LYS A 96 16.867 8.445 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.151 10.171 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 96 19.171 9.747 13.690 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.889 8.021 13.572 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.258 9.798 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 96 20.598 9.008 11.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 19.890 7.648 10.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.430 6.860 11.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.270 7.685 10.645 1.00 0.00 H new ATOM 844 N LEU A 97 13.716 9.127 12.005 1.00 0.00 N0 ATOM 845 CA LEU A 97 12.933 8.292 11.103 1.00 0.00 C0 ATOM 846 C LEU A 97 13.751 7.878 9.885 1.00 0.00 C0 ATOM 847 O LEU A 97 14.173 8.720 9.095 1.00 0.00 O0 ATOM 848 CB LEU A 97 11.672 9.039 10.649 1.00 0.00 C0 ATOM 849 CG LEU A 97 10.654 9.355 11.752 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 9.438 10.040 11.140 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 10.257 8.070 12.461 1.00 0.00 C0 ATOM 0 H LEU A 97 13.731 10.116 11.757 1.00 0.00 H new ATOM 0 HA LEU A 97 12.645 7.392 11.646 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.975 9.975 10.181 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.176 8.445 9.882 1.00 0.00 H new ATOM 0 HG LEU A 97 11.097 10.029 12.485 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.714 10.265 11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.748 10.966 10.655 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.981 9.380 10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.534 8.295 13.245 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.812 7.381 11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.141 7.611 12.904 1.00 0.00 H new ATOM 863 N ASP A 98 13.969 6.575 9.741 1.00 0.00 N0 ATOM 864 CA ASP A 98 14.600 6.032 8.545 1.00 0.00 C0 ATOM 865 C ASP A 98 13.566 5.451 7.591 1.00 0.00 C0 ATOM 866 O ASP A 98 12.494 5.016 8.013 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.621 4.954 8.919 1.00 0.00 C0 ATOM 868 CG ASP A 98 16.807 5.506 9.698 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 16.991 6.700 9.697 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 17.518 4.728 10.288 1.00 0.00 O0 ATOM 0 H ASP A 98 13.717 5.875 10.439 1.00 0.00 H new ATOM 0 HA ASP A 98 15.112 6.852 8.041 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.128 4.185 9.514 1.00 0.00 H new ATOM 0 HB3 ASP A 98 15.982 4.472 8.011 1.00 0.00 H new ATOM 875 N PRO A 99 13.892 5.446 6.303 1.00 0.00 N0 ATOM 876 CA PRO A 99 12.982 4.935 5.284 1.00 0.00 C0 ATOM 877 C PRO A 99 12.584 3.494 5.575 1.00 0.00 C0 ATOM 878 O PRO A 99 13.434 2.648 5.848 1.00 0.00 O0 ATOM 879 CB PRO A 99 13.808 5.044 3.998 1.00 0.00 C0 ATOM 880 CG PRO A 99 14.748 6.172 4.262 1.00 0.00 C0 ATOM 881 CD PRO A 99 15.123 6.016 5.712 1.00 0.00 C0 ATOM 0 HA PRO A 99 12.041 5.483 5.231 1.00 0.00 H new ATOM 0 HB2 PRO A 99 14.345 4.119 3.790 1.00 0.00 H new ATOM 0 HB3 PRO A 99 13.175 5.247 3.134 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.625 6.118 3.617 1.00 0.00 H new ATOM 0 HG3 PRO A 99 14.274 7.136 4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 99 15.979 5.353 5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 99 15.387 6.970 6.168 1.00 0.00 H new ATOM 889 N ASP A 100 11.285 3.222 5.513 1.00 0.00 N0 ATOM 890 CA ASP A 100 10.784 1.856 5.608 1.00 0.00 C0 ATOM 891 C ASP A 100 11.100 1.247 6.969 1.00 0.00 C0 ATOM 892 O ASP A 100 11.164 0.026 7.113 1.00 0.00 O0 ATOM 893 CB ASP A 100 11.382 0.985 4.501 1.00 0.00 C0 ATOM 894 CG ASP A 100 10.981 1.443 3.106 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 9.843 1.808 2.925 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 11.816 1.424 2.233 1.00 0.00 O0 ATOM 0 H ASP A 100 10.560 3.930 5.397 1.00 0.00 H new ATOM 0 HA ASP A 100 9.701 1.893 5.488 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.469 0.997 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.062 -0.047 4.645 1.00 0.00 H new ATOM 901 N SER A 101 11.297 2.105 7.963 1.00 0.00 N0 ATOM 902 CA SER A 101 11.502 1.654 9.335 1.00 0.00 C0 ATOM 903 C SER A 101 10.251 1.866 10.178 1.00 0.00 C0 ATOM 904 O SER A 101 9.489 2.806 9.949 1.00 0.00 O0 ATOM 905 CB SER A 101 12.672 2.389 9.957 1.00 0.00 C0 ATOM 906 OG SER A 101 12.862 1.997 11.289 1.00 0.00 O0 ATOM 0 H SER A 101 11.319 3.118 7.845 1.00 0.00 H new ATOM 0 HA SER A 101 11.719 0.586 9.308 1.00 0.00 H new ATOM 0 HB2 SER A 101 13.577 2.190 9.383 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.496 3.464 9.912 1.00 0.00 H new ATOM 0 HG SER A 101 12.727 1.029 11.368 1.00 0.00 H new ATOM 912 N TYR A 102 10.045 0.988 11.153 1.00 0.00 N0 ATOM 913 CA TYR A 102 8.850 1.036 11.987 1.00 0.00 C0 ATOM 914 C TYR A 102 9.169 1.574 13.376 1.00 0.00 C0 ATOM 915 O TYR A 102 10.197 1.234 13.962 1.00 0.00 O0 ATOM 916 CB TYR A 102 8.211 -0.351 12.089 1.00 0.00 C0 ATOM 917 CG TYR A 102 7.530 -0.804 10.816 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 8.288 -1.262 9.748 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 6.148 -0.761 10.717 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 7.666 -1.675 8.586 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 5.526 -1.175 9.554 1.00 0.00 C0 ATOM 922 CZ TYR A 102 6.279 -1.631 8.493 1.00 0.00 C0 ATOM 923 OH TYR A 102 5.660 -2.042 7.335 1.00 0.00 O0 ATOM 0 H TYR A 102 10.691 0.234 11.386 1.00 0.00 H new ATOM 0 HA TYR A 102 8.140 1.716 11.515 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.979 -1.076 12.357 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.481 -0.346 12.899 1.00 0.00 H new ATOM 0 HD1 TYR A 102 9.365 -1.296 9.825 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.558 -0.404 11.548 1.00 0.00 H new ATOM 0 HE1 TYR A 102 8.254 -2.031 7.753 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.449 -1.141 9.476 1.00 0.00 H new ATOM 0 HH TYR A 102 4.689 -1.950 7.432 1.00 0.00 H new ATOM 933 N TYR A 103 8.281 2.413 13.899 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.485 3.029 15.205 1.00 0.00 C0 ATOM 935 C TYR A 103 7.226 2.941 16.057 1.00 0.00 C0 ATOM 936 O TYR A 103 6.111 3.066 15.550 1.00 0.00 O0 ATOM 937 CB TYR A 103 8.918 4.488 15.046 1.00 0.00 C0 ATOM 938 CG TYR A 103 10.207 4.662 14.275 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 10.187 4.690 12.887 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 11.409 4.793 14.953 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 11.364 4.848 12.182 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 12.586 4.952 14.248 1.00 0.00 C0 ATOM 943 CZ TYR A 103 12.566 4.980 12.868 1.00 0.00 C0 ATOM 944 OH TYR A 103 13.739 5.138 12.167 1.00 0.00 O0 ATOM 0 H TYR A 103 7.412 2.682 13.438 1.00 0.00 H new ATOM 0 HA TYR A 103 9.277 2.481 15.715 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.126 5.039 14.540 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.034 4.932 16.034 1.00 0.00 H new ATOM 0 HD1 TYR A 103 9.251 4.588 12.358 1.00 0.00 H new ATOM 0 HD2 TYR A 103 11.425 4.771 16.033 1.00 0.00 H new ATOM 0 HE1 TYR A 103 11.351 4.869 11.102 1.00 0.00 H new ATOM 0 HE2 TYR A 103 13.522 5.054 14.777 1.00 0.00 H new ATOM 0 HH TYR A 103 14.322 5.767 12.642 1.00 0.00 H new ATOM 954 N THR A 104 7.410 2.726 17.356 1.00 0.00 N0 ATOM 955 CA THR A 104 6.303 2.762 18.303 1.00 0.00 C0 ATOM 956 C THR A 104 6.529 3.822 19.374 1.00 0.00 C0 ATOM 957 O THR A 104 7.575 3.850 20.022 1.00 0.00 O0 ATOM 958 CB THR A 104 6.099 1.389 18.969 1.00 0.00 C0 ATOM 959 OG1 THR A 104 5.818 0.404 17.965 1.00 0.00 O0 ATOM 960 CG2 THR A 104 4.945 1.442 19.958 1.00 0.00 C0 ATOM 0 H THR A 104 8.317 2.525 17.777 1.00 0.00 H new ATOM 0 HA THR A 104 5.405 3.018 17.741 1.00 0.00 H new ATOM 0 HB THR A 104 7.011 1.123 19.504 1.00 0.00 H new ATOM 0 HG1 THR A 104 5.690 -0.470 18.390 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.816 0.463 20.419 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.161 2.181 20.730 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.030 1.721 19.435 1.00 0.00 H new ATOM 968 N LEU A 105 5.542 4.692 19.556 1.00 0.00 N0 ATOM 969 CA LEU A 105 5.638 5.767 20.535 1.00 0.00 C0 ATOM 970 C LEU A 105 4.699 5.528 21.711 1.00 0.00 C0 ATOM 971 O LEU A 105 3.510 5.839 21.641 1.00 0.00 O0 ATOM 972 CB LEU A 105 5.312 7.114 19.877 1.00 0.00 C0 ATOM 973 CG LEU A 105 6.141 7.467 18.637 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 5.649 8.785 18.055 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 7.612 7.552 19.016 1.00 0.00 C0 ATOM 0 H LEU A 105 4.664 4.673 19.037 1.00 0.00 H new ATOM 0 HA LEU A 105 6.661 5.786 20.911 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.258 7.116 19.599 1.00 0.00 H new ATOM 0 HB3 LEU A 105 5.448 7.902 20.618 1.00 0.00 H new ATOM 0 HG LEU A 105 6.026 6.692 17.879 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.239 9.036 17.173 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.600 8.690 17.775 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.756 9.574 18.799 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.201 7.803 18.134 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.748 8.323 19.775 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.942 6.591 19.411 1.00 0.00 H new ATOM 987 N VAL A 106 5.240 4.974 22.790 1.00 0.00 N0 ATOM 988 CA VAL A 106 4.440 4.640 23.963 1.00 0.00 C0 ATOM 989 C VAL A 106 4.431 5.787 24.967 1.00 0.00 C0 ATOM 990 O VAL A 106 5.459 6.111 25.561 1.00 0.00 O0 ATOM 991 CB VAL A 106 4.990 3.372 24.641 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 4.180 3.041 25.887 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 4.970 2.210 23.661 1.00 0.00 C0 ATOM 0 H VAL A 106 6.230 4.746 22.877 1.00 0.00 H new ATOM 0 HA VAL A 106 3.418 4.461 23.628 1.00 0.00 H new ATOM 0 HB VAL A 106 6.021 3.553 24.946 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.582 2.142 26.354 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.238 3.872 26.590 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.139 2.872 25.610 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.361 1.317 24.148 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.946 2.027 23.334 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.589 2.452 22.797 1.00 0.00 H new ATOM 1003 N SER A 107 3.264 6.395 25.151 1.00 0.00 N0 ATOM 1004 CA SER A 107 3.117 7.503 26.087 1.00 0.00 C0 ATOM 1005 C SER A 107 2.474 7.041 27.389 1.00 0.00 C0 ATOM 1006 O SER A 107 1.276 6.767 27.437 1.00 0.00 O0 ATOM 1007 CB SER A 107 2.284 8.606 25.465 1.00 0.00 C0 ATOM 1008 OG SER A 107 2.036 9.629 26.389 1.00 0.00 O0 ATOM 0 H SER A 107 2.405 6.139 24.664 1.00 0.00 H new ATOM 0 HA SER A 107 4.112 7.886 26.313 1.00 0.00 H new ATOM 0 HB2 SER A 107 2.803 9.013 24.597 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.339 8.196 25.108 1.00 0.00 H new ATOM 0 HG SER A 107 1.498 10.330 25.965 1.00 0.00 H new ATOM 1014 N GLN A 108 3.279 6.958 28.443 1.00 0.00 N0 ATOM 1015 CA GLN A 108 2.791 6.526 29.747 1.00 0.00 C0 ATOM 1016 C GLN A 108 2.888 7.649 30.773 1.00 0.00 C0 ATOM 1017 O GLN A 108 3.975 7.969 31.255 1.00 0.00 O0 ATOM 1018 CB GLN A 108 3.574 5.304 30.235 1.00 0.00 C0 ATOM 1019 CG GLN A 108 3.245 4.880 31.656 1.00 0.00 C0 ATOM 1020 CD GLN A 108 1.824 4.370 31.793 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 1.464 3.334 31.227 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 1.006 5.095 32.549 1.00 0.00 N0 ATOM 0 H GLN A 108 4.273 7.185 28.419 1.00 0.00 H new ATOM 0 HA GLN A 108 1.741 6.255 29.635 1.00 0.00 H new ATOM 0 HB2 GLN A 108 3.377 4.468 29.564 1.00 0.00 H new ATOM 0 HB3 GLN A 108 4.640 5.520 30.170 1.00 0.00 H new ATOM 0 HG2 GLN A 108 3.940 4.101 31.970 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.391 5.726 32.328 1.00 0.00 H new ATOM 0 HE21 GLN A 108 1.346 5.945 32.998 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.038 4.801 32.680 1.00 0.00 H new ATOM 1031 N PRO A 109 1.747 8.244 31.101 1.00 0.00 N0 ATOM 1032 CA PRO A 109 1.692 9.290 32.116 1.00 0.00 C0 ATOM 1033 C PRO A 109 2.275 8.805 33.437 1.00 0.00 C0 ATOM 1034 O PRO A 109 2.043 7.668 33.849 1.00 0.00 O0 ATOM 1035 CB PRO A 109 0.193 9.581 32.231 1.00 0.00 C0 ATOM 1036 CG PRO A 109 -0.357 9.199 30.899 1.00 0.00 C0 ATOM 1037 CD PRO A 109 0.430 7.977 30.505 1.00 0.00 C0 ATOM 0 HA PRO A 109 2.276 10.174 31.858 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.265 9.001 33.032 1.00 0.00 H new ATOM 0 HB3 PRO A 109 0.007 10.632 32.452 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.424 8.983 30.957 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.233 10.002 30.173 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.016 7.063 30.897 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.489 7.864 29.423 1.00 0.00 H new ATOM 1045 N GLY A 110 3.030 9.675 34.100 1.00 0.00 N0 ATOM 1046 CA GLY A 110 3.657 9.332 35.370 1.00 0.00 C0 ATOM 1047 C GLY A 110 5.146 9.062 35.194 1.00 0.00 C0 ATOM 1048 O GLY A 110 5.914 9.114 36.155 1.00 0.00 O0 ATOM 0 H GLY A 110 3.222 10.624 33.778 1.00 0.00 H new ATOM 0 HA2 GLY A 110 3.514 10.146 36.081 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.172 8.451 35.792 1.00 0.00 H new ATOM 1052 N GLY A 111 5.548 8.773 33.961 1.00 0.00 N0 ATOM 1053 CA GLY A 111 6.949 8.516 33.652 1.00 0.00 C0 ATOM 1054 C GLY A 111 7.330 9.097 32.296 1.00 0.00 C0 ATOM 1055 O GLY A 111 6.721 10.059 31.829 1.00 0.00 O0 ATOM 0 H GLY A 111 4.922 8.711 33.158 1.00 0.00 H new ATOM 0 HA2 GLY A 111 7.581 8.950 34.427 1.00 0.00 H new ATOM 0 HA3 GLY A 111 7.134 7.442 33.655 1.00 0.00 H new ATOM 1059 N LYS A 112 8.343 8.507 31.669 1.00 0.00 N0 ATOM 1060 CA LYS A 112 8.805 8.963 30.364 1.00 0.00 C0 ATOM 1061 C LYS A 112 8.304 8.051 29.252 1.00 0.00 C0 ATOM 1062 O LYS A 112 8.106 6.854 29.459 1.00 0.00 O0 ATOM 1063 CB LYS A 112 10.333 9.039 30.334 1.00 0.00 C0 ATOM 1064 CG LYS A 112 10.929 10.080 31.273 1.00 0.00 C0 ATOM 1065 CD LYS A 112 12.443 10.139 31.141 1.00 0.00 C0 ATOM 1066 CE LYS A 112 13.040 11.184 32.073 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 14.524 11.242 31.966 1.00 0.00 N0 ATOM 0 H LYS A 112 8.859 7.712 32.044 1.00 0.00 H new ATOM 0 HA LYS A 112 8.397 9.960 30.196 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.739 8.061 30.591 1.00 0.00 H new ATOM 0 HB3 LYS A 112 10.654 9.259 29.316 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.504 11.059 31.051 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.660 9.841 32.302 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.868 9.161 31.368 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.711 10.372 30.111 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.621 12.162 31.837 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.759 10.956 33.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.891 11.966 32.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 14.926 10.316 32.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 14.793 11.485 30.991 1.00 0.00 H new ATOM 1081 N PRO A 113 8.101 8.624 28.070 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.634 7.860 26.919 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.730 6.948 26.382 1.00 0.00 C0 ATOM 1084 O PRO A 113 9.919 7.227 26.545 1.00 0.00 O0 ATOM 1085 CB PRO A 113 7.264 8.951 25.910 1.00 0.00 C0 ATOM 1086 CG PRO A 113 8.161 10.090 26.255 1.00 0.00 C0 ATOM 1087 CD PRO A 113 8.242 10.059 27.759 1.00 0.00 C0 ATOM 0 HA PRO A 113 6.802 7.195 27.151 1.00 0.00 H new ATOM 0 HB2 PRO A 113 7.423 8.616 24.885 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.214 9.232 25.994 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.145 9.973 25.801 1.00 0.00 H new ATOM 0 HG3 PRO A 113 7.756 11.037 25.898 1.00 0.00 H new ATOM 0 HD2 PRO A 113 9.189 10.459 28.120 1.00 0.00 H new ATOM 0 HD3 PRO A 113 7.450 10.651 28.218 1.00 0.00 H new ATOM 1095 N GLN A 114 8.324 5.856 25.743 1.00 0.00 N0 ATOM 1096 CA GLN A 114 9.270 4.877 25.222 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.342 4.935 23.701 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.334 5.157 23.031 1.00 0.00 O0 ATOM 1099 CB GLN A 114 8.884 3.466 25.674 1.00 0.00 C0 ATOM 1100 CG GLN A 114 8.731 3.314 27.177 1.00 0.00 C0 ATOM 1101 CD GLN A 114 10.040 3.521 27.917 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 11.019 2.807 27.684 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 10.063 4.500 28.812 1.00 0.00 N0 ATOM 0 H GLN A 114 7.345 5.627 25.573 1.00 0.00 H new ATOM 0 HA GLN A 114 10.255 5.121 25.620 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.946 3.187 25.195 1.00 0.00 H new ATOM 0 HB3 GLN A 114 9.642 2.765 25.324 1.00 0.00 H new ATOM 0 HG2 GLN A 114 7.995 4.032 27.539 1.00 0.00 H new ATOM 0 HG3 GLN A 114 8.344 2.320 27.401 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.229 5.065 28.971 1.00 0.00 H new ATOM 0 HE22 GLN A 114 10.915 4.688 29.341 1.00 0.00 H new ATOM 1112 N LEU A 115 10.539 4.734 23.162 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.740 4.741 21.718 1.00 0.00 C0 ATOM 1114 C LEU A 115 11.296 3.409 21.232 1.00 0.00 C0 ATOM 1115 O LEU A 115 12.438 3.057 21.527 1.00 0.00 O0 ATOM 1116 CB LEU A 115 11.695 5.875 21.323 1.00 0.00 C0 ATOM 1117 CG LEU A 115 12.079 5.933 19.839 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 10.822 6.088 18.993 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 13.039 7.092 19.607 1.00 0.00 C0 ATOM 0 H LEU A 115 11.386 4.564 23.704 1.00 0.00 H new ATOM 0 HA LEU A 115 9.771 4.901 21.246 1.00 0.00 H new ATOM 0 HB2 LEU A 115 11.236 6.825 21.598 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.607 5.779 21.912 1.00 0.00 H new ATOM 0 HG LEU A 115 12.578 5.009 19.548 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.096 6.129 17.939 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.162 5.238 19.163 1.00 0.00 H new ATOM 0 HD13 LEU A 115 10.308 7.008 19.270 1.00 0.00 H new ATOM 0 HD21 LEU A 115 13.312 7.133 18.552 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.557 8.027 19.894 1.00 0.00 H new ATOM 0 HD23 LEU A 115 13.936 6.947 20.208 1.00 0.00 H new ATOM 1131 N VAL A 116 10.482 2.671 20.486 1.00 0.00 N0 ATOM 1132 CA VAL A 116 10.907 1.397 19.919 1.00 0.00 C0 ATOM 1133 C VAL A 116 11.085 1.497 18.409 1.00 0.00 C0 ATOM 1134 O VAL A 116 10.135 1.784 17.679 1.00 0.00 O0 ATOM 1135 CB VAL A 116 9.874 0.299 20.238 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 10.303 -1.028 19.631 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 9.702 0.174 21.744 1.00 0.00 C0 ATOM 0 H VAL A 116 9.523 2.934 20.260 1.00 0.00 H new ATOM 0 HA VAL A 116 11.866 1.139 20.367 1.00 0.00 H new ATOM 0 HB VAL A 116 8.915 0.576 19.799 1.00 0.00 H new ATOM 0 HG11 VAL A 116 9.562 -1.792 19.866 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.386 -0.923 18.549 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.269 -1.321 20.042 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.971 -0.604 21.963 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.657 -0.088 22.199 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.355 1.124 22.151 1.00 0.00 H new ATOM 1147 N ALA A 117 12.308 1.260 17.947 1.00 0.00 N0 ATOM 1148 CA ALA A 117 12.618 1.342 16.524 1.00 0.00 C0 ATOM 1149 C ALA A 117 12.880 -0.038 15.937 1.00 0.00 C0 ATOM 1150 O ALA A 117 13.547 -0.869 16.554 1.00 0.00 O0 ATOM 1151 CB ALA A 117 13.817 2.251 16.294 1.00 0.00 C0 ATOM 0 H ALA A 117 13.101 1.009 18.537 1.00 0.00 H new ATOM 0 HA ALA A 117 11.752 1.766 16.015 1.00 0.00 H new ATOM 0 HB1 ALA A 117 14.036 2.302 15.227 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.593 3.251 16.666 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.683 1.852 16.823 1.00 0.00 H new ATOM 1157 N GLU A 118 12.351 -0.278 14.742 1.00 0.00 N0 ATOM 1158 CA GLU A 118 12.580 -1.536 14.040 1.00 0.00 C0 ATOM 1159 C GLU A 118 13.121 -1.294 12.637 1.00 0.00 C0 ATOM 1160 O GLU A 118 12.462 -0.669 11.806 1.00 0.00 O0 ATOM 1161 CB GLU A 118 11.284 -2.347 13.965 1.00 0.00 C0 ATOM 1162 CG GLU A 118 11.425 -3.694 13.270 1.00 0.00 C0 ATOM 1163 CD GLU A 118 10.145 -4.482 13.257 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 9.165 -3.996 13.767 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 10.148 -5.574 12.737 1.00 0.00 O0 ATOM 0 H GLU A 118 11.760 0.383 14.238 1.00 0.00 H new ATOM 0 HA GLU A 118 13.325 -2.100 14.601 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.913 -2.511 14.977 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.531 -1.758 13.441 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.758 -3.535 12.244 1.00 0.00 H new ATOM 0 HG3 GLU A 118 12.199 -4.276 13.770 1.00 0.00 H new ATOM 1172 N PRO A 119 14.325 -1.792 12.380 1.00 0.00 N0 ATOM 1173 CA PRO A 119 14.944 -1.660 11.067 1.00 0.00 C0 ATOM 1174 C PRO A 119 14.026 -2.182 9.969 1.00 0.00 C0 ATOM 1175 O PRO A 119 13.129 -1.497 9.562 1.00 0.00 O0 ATOM 1176 CB PRO A 119 16.212 -2.511 11.195 1.00 0.00 C0 ATOM 1177 CG PRO A 119 16.550 -2.446 12.645 1.00 0.00 C0 ATOM 1178 CD PRO A 119 15.216 -2.485 13.343 1.00 0.00 C0 ATOM 0 HA PRO A 119 15.153 -0.626 10.791 1.00 0.00 H new ATOM 0 HB2 PRO A 119 16.037 -3.537 10.872 1.00 0.00 H new ATOM 0 HB3 PRO A 119 17.020 -2.117 10.579 1.00 0.00 H new ATOM 0 HG2 PRO A 119 17.180 -3.284 12.944 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.097 -1.534 12.885 1.00 0.00 H new ATOM 0 HD2 PRO A 119 14.889 -3.507 13.535 1.00 0.00 H new ATOM 0 HD3 PRO A 119 15.247 -1.975 14.306 1.00 0.00 H new