USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 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 24 GLN : amide:sc= -8.01! C(o=-11!,f=-14!) USER MOD Set 1.2: A 26 ASN :FLIP amide:sc= -2.86! C(o=-14!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 81:sc= 0.00915 USER MOD Single : A 14 GLN : amide:sc= -5.73! C(o=-5.7!,f=-6.3!) USER MOD Single : A 18 THR OG1 : rot -26:sc= 0.526 USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= -0.11 (180deg=-0.531) USER MOD Single : A 22 GLN :FLIP amide:sc= -2.46! C(o=-5.9!,f=-2.5!) USER MOD Single : A 27 MET CE :methyl 164:sc= -1.32 (180deg=-2.29!) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= -0.228 (180deg=-0.235) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00597 USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= 0.95 (180deg=-0.248) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -2.07! C(o=-2.1!,f=-4.2!) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.825 23.584 2.567 1.00 0.00 N ATOM 2 CA GLY A 1 -1.470 24.265 3.842 1.00 0.00 C ATOM 3 C GLY A 1 -0.664 23.376 4.769 1.00 0.00 C ATOM 4 O GLY A 1 0.566 23.424 4.772 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.375 24.233 1.968 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.956 23.306 2.068 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.393 22.737 2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.899 25.167 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.382 24.580 4.348 1.00 0.00 H new ATOM 10 N ARG A 2 -1.360 22.561 5.556 1.00 0.00 N ATOM 11 CA ARG A 2 -0.705 21.653 6.490 1.00 0.00 C ATOM 12 C ARG A 2 -0.536 20.270 5.867 1.00 0.00 C ATOM 13 O ARG A 2 -1.223 19.319 6.243 1.00 0.00 O ATOM 14 CB ARG A 2 -1.513 21.552 7.786 1.00 0.00 C ATOM 15 CG ARG A 2 -1.694 22.885 8.494 1.00 0.00 C ATOM 16 CD ARG A 2 -2.606 22.754 9.704 1.00 0.00 C ATOM 17 NE ARG A 2 -2.097 21.790 10.674 1.00 0.00 N ATOM 18 CZ ARG A 2 -2.823 21.292 11.671 1.00 0.00 C ATOM 19 NH1 ARG A 2 -4.087 21.666 11.826 1.00 0.00 N ATOM 20 NH2 ARG A 2 -2.287 20.420 12.512 1.00 0.00 N ATOM 0 H ARG A 2 -2.379 22.511 5.565 1.00 0.00 H new ATOM 0 HA ARG A 2 0.283 22.051 6.720 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.494 21.133 7.561 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.016 20.856 8.461 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.722 23.266 8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.112 23.613 7.799 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.714 23.727 10.183 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.600 22.448 9.377 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.129 21.480 10.582 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.503 22.336 11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -4.642 21.283 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.316 20.130 12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.845 20.039 13.276 1.00 0.00 H new ATOM 34 N ARG A 3 0.385 20.163 4.912 1.00 0.00 N ATOM 35 CA ARG A 3 0.641 18.897 4.234 1.00 0.00 C ATOM 36 C ARG A 3 2.135 18.591 4.187 1.00 0.00 C ATOM 37 O ARG A 3 2.942 19.435 3.793 1.00 0.00 O ATOM 38 CB ARG A 3 0.067 18.932 2.816 1.00 0.00 C ATOM 39 CG ARG A 3 -1.432 19.183 2.778 1.00 0.00 C ATOM 40 CD ARG A 3 -1.973 19.148 1.358 1.00 0.00 C ATOM 41 NE ARG A 3 -3.410 19.408 1.317 1.00 0.00 N ATOM 42 CZ ARG A 3 -4.139 19.363 0.205 1.00 0.00 C ATOM 43 NH1 ARG A 3 -3.569 19.070 -0.957 1.00 0.00 N ATOM 44 NH2 ARG A 3 -5.440 19.612 0.255 1.00 0.00 N ATOM 0 H ARG A 3 0.966 20.938 4.591 1.00 0.00 H new ATOM 0 HA ARG A 3 0.149 18.105 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 3 0.573 19.711 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 3 0.282 17.985 2.321 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.942 18.431 3.380 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.650 20.152 3.227 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.452 19.890 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.767 18.174 0.915 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.882 19.637 2.192 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.568 18.878 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.132 19.037 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.882 19.838 1.146 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.999 19.578 -0.598 1.00 0.00 H new ATOM 58 N ARG A 4 2.492 17.375 4.590 1.00 0.00 N ATOM 59 CA ARG A 4 3.886 16.942 4.603 1.00 0.00 C ATOM 60 C ARG A 4 4.441 16.821 3.185 1.00 0.00 C ATOM 61 O ARG A 4 3.712 16.981 2.207 1.00 0.00 O ATOM 62 CB ARG A 4 4.012 15.601 5.334 1.00 0.00 C ATOM 63 CG ARG A 4 2.932 14.594 4.959 1.00 0.00 C ATOM 64 CD ARG A 4 3.239 13.895 3.643 1.00 0.00 C ATOM 65 NE ARG A 4 2.038 13.333 3.031 1.00 0.00 N ATOM 66 CZ ARG A 4 2.040 12.252 2.256 1.00 0.00 C ATOM 67 NH1 ARG A 4 3.173 11.604 2.016 1.00 0.00 N ATOM 68 NH2 ARG A 4 0.907 11.817 1.721 1.00 0.00 N ATOM 0 H ARG A 4 1.831 16.669 4.914 1.00 0.00 H new ATOM 0 HA ARG A 4 4.470 17.696 5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 4 4.989 15.170 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.973 15.778 6.409 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.838 13.851 5.751 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.971 15.103 4.884 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.700 14.604 2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 4 3.965 13.100 3.815 1.00 0.00 H new ATOM 0 HE ARG A 4 1.147 13.796 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 4 4.046 11.935 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 4 3.170 10.775 1.421 1.00 0.00 H new ATOM 0 HH21 ARG A 4 0.034 12.311 1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.909 10.988 1.127 1.00 0.00 H new ATOM 82 N ARG A 5 5.736 16.531 3.087 1.00 0.00 N ATOM 83 CA ARG A 5 6.394 16.386 1.792 1.00 0.00 C ATOM 84 C ARG A 5 7.361 15.224 1.797 1.00 0.00 C ATOM 85 O ARG A 5 8.052 14.959 2.780 1.00 0.00 O ATOM 86 CB ARG A 5 7.119 17.673 1.405 1.00 0.00 C ATOM 87 CG ARG A 5 8.131 18.135 2.441 1.00 0.00 C ATOM 88 CD ARG A 5 8.793 19.441 2.033 1.00 0.00 C ATOM 89 NE ARG A 5 7.829 20.534 1.931 1.00 0.00 N ATOM 90 CZ ARG A 5 8.151 21.770 1.561 1.00 0.00 C ATOM 91 NH1 ARG A 5 9.406 22.068 1.252 1.00 0.00 N ATOM 92 NH2 ARG A 5 7.217 22.709 1.497 1.00 0.00 N ATOM 0 H ARG A 5 6.350 16.392 3.889 1.00 0.00 H new ATOM 0 HA ARG A 5 5.621 16.184 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.629 17.521 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.383 18.462 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.635 18.263 3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 5 8.892 17.367 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.561 19.701 2.762 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.295 19.309 1.074 1.00 0.00 H new ATOM 0 HE ARG A 5 6.854 20.338 2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.127 21.348 1.298 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.650 23.017 0.969 1.00 0.00 H new ATOM 0 HH21 ARG A 5 6.250 22.484 1.732 1.00 0.00 H new ATOM 0 HH22 ARG A 5 7.465 23.657 1.213 1.00 0.00 H new ATOM 106 N SER A 6 7.390 14.542 0.670 1.00 0.00 N ATOM 107 CA SER A 6 8.226 13.381 0.488 1.00 0.00 C ATOM 108 C SER A 6 8.716 13.289 -0.937 1.00 0.00 C ATOM 109 O SER A 6 9.286 14.226 -1.497 1.00 0.00 O ATOM 110 CB SER A 6 7.420 12.133 0.852 1.00 0.00 C ATOM 111 OG SER A 6 7.061 12.132 2.224 1.00 0.00 O ATOM 0 H SER A 6 6.830 14.782 -0.148 1.00 0.00 H new ATOM 0 HA SER A 6 9.099 13.461 1.135 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.520 12.087 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.005 11.241 0.627 1.00 0.00 H new ATOM 0 HG SER A 6 6.546 11.324 2.427 1.00 0.00 H new ATOM 117 N VAL A 7 8.494 12.125 -1.472 1.00 0.00 N ATOM 118 CA VAL A 7 8.836 11.756 -2.818 1.00 0.00 C ATOM 119 C VAL A 7 8.476 12.821 -3.853 1.00 0.00 C ATOM 120 O VAL A 7 7.928 13.876 -3.530 1.00 0.00 O ATOM 121 CB VAL A 7 8.080 10.472 -3.140 1.00 0.00 C ATOM 122 CG1 VAL A 7 8.142 9.522 -1.959 1.00 0.00 C ATOM 123 CG2 VAL A 7 6.631 10.779 -3.494 1.00 0.00 C ATOM 0 H VAL A 7 8.047 11.367 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 7 9.918 11.632 -2.872 1.00 0.00 H new ATOM 0 HB VAL A 7 8.551 9.997 -4.001 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.599 8.608 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.182 9.280 -1.741 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.689 9.995 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.107 9.850 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.147 11.272 -2.651 1.00 0.00 H new ATOM 0 HG23 VAL A 7 6.600 11.435 -4.364 1.00 0.00 H new ATOM 133 N GLN A 8 8.773 12.512 -5.110 1.00 0.00 N ATOM 134 CA GLN A 8 8.501 13.418 -6.216 1.00 0.00 C ATOM 135 C GLN A 8 8.181 12.634 -7.481 1.00 0.00 C ATOM 136 O GLN A 8 8.545 13.034 -8.587 1.00 0.00 O ATOM 137 CB GLN A 8 9.710 14.311 -6.447 1.00 0.00 C ATOM 138 CG GLN A 8 10.966 13.539 -6.812 1.00 0.00 C ATOM 139 CD GLN A 8 12.174 14.437 -6.989 1.00 0.00 C ATOM 140 OE1 GLN A 8 12.911 14.701 -6.039 1.00 0.00 O ATOM 141 NE2 GLN A 8 12.382 14.912 -8.211 1.00 0.00 N ATOM 0 H GLN A 8 9.206 11.632 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 8 7.637 14.034 -5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.483 15.019 -7.244 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.899 14.895 -5.546 1.00 0.00 H new ATOM 0 HG2 GLN A 8 11.175 12.805 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.792 12.985 -7.735 1.00 0.00 H new ATOM 0 HE21 GLN A 8 11.745 14.667 -8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 8 13.179 15.522 -8.392 1.00 0.00 H new ATOM 150 N TRP A 9 7.494 11.519 -7.302 1.00 0.00 N ATOM 151 CA TRP A 9 7.125 10.657 -8.425 1.00 0.00 C ATOM 152 C TRP A 9 5.628 10.347 -8.425 1.00 0.00 C ATOM 153 O TRP A 9 4.852 10.987 -7.715 1.00 0.00 O ATOM 154 CB TRP A 9 7.946 9.358 -8.400 1.00 0.00 C ATOM 155 CG TRP A 9 7.948 8.659 -7.072 1.00 0.00 C ATOM 156 CD1 TRP A 9 7.196 8.972 -5.980 1.00 0.00 C ATOM 157 CD2 TRP A 9 8.741 7.526 -6.694 1.00 0.00 C ATOM 158 NE1 TRP A 9 7.477 8.117 -4.948 1.00 0.00 N ATOM 159 CE2 TRP A 9 8.415 7.217 -5.360 1.00 0.00 C ATOM 160 CE3 TRP A 9 9.695 6.745 -7.348 1.00 0.00 C ATOM 161 CZ2 TRP A 9 9.002 6.161 -4.672 1.00 0.00 C ATOM 162 CZ3 TRP A 9 10.278 5.695 -6.662 1.00 0.00 C ATOM 163 CH2 TRP A 9 9.931 5.412 -5.337 1.00 0.00 C ATOM 0 H TRP A 9 7.178 11.184 -6.392 1.00 0.00 H new ATOM 0 HA TRP A 9 7.351 11.196 -9.345 1.00 0.00 H new ATOM 0 HB2 TRP A 9 7.553 8.678 -9.156 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.975 9.586 -8.680 1.00 0.00 H new ATOM 0 HD1 TRP A 9 6.480 9.779 -5.935 1.00 0.00 H new ATOM 0 HE1 TRP A 9 7.053 8.148 -4.021 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.973 6.956 -8.370 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 8.733 5.941 -3.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 11.015 5.082 -7.159 1.00 0.00 H new ATOM 0 HH2 TRP A 9 10.407 4.586 -4.830 1.00 0.00 H new ATOM 174 N CYS A 10 5.229 9.362 -9.228 1.00 0.00 N ATOM 175 CA CYS A 10 3.825 8.975 -9.337 1.00 0.00 C ATOM 176 C CYS A 10 3.380 8.097 -8.168 1.00 0.00 C ATOM 177 O CYS A 10 2.182 7.909 -7.952 1.00 0.00 O ATOM 178 CB CYS A 10 3.583 8.233 -10.652 1.00 0.00 C ATOM 179 SG CYS A 10 4.202 9.109 -12.126 1.00 0.00 S ATOM 0 H CYS A 10 5.861 8.816 -9.814 1.00 0.00 H new ATOM 0 HA CYS A 10 3.235 9.891 -9.314 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.060 7.254 -10.597 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.513 8.060 -10.768 1.00 0.00 H new ATOM 184 N ALA A 11 4.338 7.563 -7.415 1.00 0.00 N ATOM 185 CA ALA A 11 4.017 6.703 -6.278 1.00 0.00 C ATOM 186 C ALA A 11 3.141 7.430 -5.263 1.00 0.00 C ATOM 187 O ALA A 11 2.596 6.814 -4.347 1.00 0.00 O ATOM 188 CB ALA A 11 5.282 6.190 -5.615 1.00 0.00 C ATOM 0 H ALA A 11 5.336 7.709 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 11 3.455 5.850 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.018 5.552 -4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.863 5.616 -6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.875 7.033 -5.261 1.00 0.00 H new ATOM 194 N VAL A 12 3.013 8.745 -5.428 1.00 0.00 N ATOM 195 CA VAL A 12 2.193 9.555 -4.534 1.00 0.00 C ATOM 196 C VAL A 12 0.745 9.067 -4.520 1.00 0.00 C ATOM 197 O VAL A 12 -0.045 9.465 -3.664 1.00 0.00 O ATOM 198 CB VAL A 12 2.214 11.041 -4.944 1.00 0.00 C ATOM 199 CG1 VAL A 12 3.614 11.619 -4.795 1.00 0.00 C ATOM 200 CG2 VAL A 12 1.710 11.211 -6.369 1.00 0.00 C ATOM 0 H VAL A 12 3.468 9.271 -6.174 1.00 0.00 H new ATOM 0 HA VAL A 12 2.620 9.453 -3.536 1.00 0.00 H new ATOM 0 HB VAL A 12 1.547 11.589 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.608 12.668 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.934 11.535 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.305 11.068 -5.433 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.733 12.267 -6.639 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.348 10.648 -7.050 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.688 10.840 -6.440 1.00 0.00 H new ATOM 210 N SER A 13 0.405 8.203 -5.475 1.00 0.00 N ATOM 211 CA SER A 13 -0.947 7.663 -5.575 1.00 0.00 C ATOM 212 C SER A 13 -1.152 6.503 -4.601 1.00 0.00 C ATOM 213 O SER A 13 -1.909 6.620 -3.637 1.00 0.00 O ATOM 214 CB SER A 13 -1.230 7.200 -7.006 1.00 0.00 C ATOM 215 OG SER A 13 -1.065 8.264 -7.928 1.00 0.00 O ATOM 0 H SER A 13 1.048 7.863 -6.190 1.00 0.00 H new ATOM 0 HA SER A 13 -1.645 8.458 -5.312 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.559 6.382 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.246 6.812 -7.072 1.00 0.00 H new ATOM 0 HG SER A 13 -0.113 8.373 -8.135 1.00 0.00 H new ATOM 221 N GLN A 14 -0.475 5.387 -4.856 1.00 0.00 N ATOM 222 CA GLN A 14 -0.591 4.212 -3.996 1.00 0.00 C ATOM 223 C GLN A 14 0.300 4.357 -2.761 1.00 0.00 C ATOM 224 O GLN A 14 1.328 5.033 -2.808 1.00 0.00 O ATOM 225 CB GLN A 14 -0.227 2.936 -4.769 1.00 0.00 C ATOM 226 CG GLN A 14 1.265 2.627 -4.805 1.00 0.00 C ATOM 227 CD GLN A 14 2.066 3.649 -5.591 1.00 0.00 C ATOM 228 OE1 GLN A 14 3.224 3.918 -5.275 1.00 0.00 O ATOM 229 NE2 GLN A 14 1.457 4.218 -6.625 1.00 0.00 N ATOM 0 H GLN A 14 0.157 5.271 -5.648 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.627 4.133 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.750 2.092 -4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.591 3.029 -5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 14 1.646 2.583 -3.785 1.00 0.00 H new ATOM 0 HG3 GLN A 14 1.415 1.641 -5.244 1.00 0.00 H new ATOM 0 HE21 GLN A 14 0.495 3.966 -6.852 1.00 0.00 H new ATOM 0 HE22 GLN A 14 1.951 4.907 -7.192 1.00 0.00 H new ATOM 238 N PRO A 15 -0.084 3.721 -1.636 1.00 0.00 N ATOM 239 CA PRO A 15 0.687 3.792 -0.390 1.00 0.00 C ATOM 240 C PRO A 15 2.014 3.046 -0.477 1.00 0.00 C ATOM 241 O PRO A 15 2.930 3.300 0.306 1.00 0.00 O ATOM 242 CB PRO A 15 -0.234 3.127 0.637 1.00 0.00 C ATOM 243 CG PRO A 15 -1.091 2.209 -0.162 1.00 0.00 C ATOM 244 CD PRO A 15 -1.295 2.888 -1.489 1.00 0.00 C ATOM 0 HA PRO A 15 0.958 4.818 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.338 2.582 1.387 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.833 3.866 1.168 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.612 1.238 -0.289 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.044 2.031 0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.387 2.166 -2.300 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.202 3.492 -1.496 1.00 0.00 H new ATOM 252 N GLU A 16 2.113 2.124 -1.432 1.00 0.00 N ATOM 253 CA GLU A 16 3.334 1.341 -1.617 1.00 0.00 C ATOM 254 C GLU A 16 3.253 0.495 -2.887 1.00 0.00 C ATOM 255 O GLU A 16 2.337 -0.311 -3.048 1.00 0.00 O ATOM 256 CB GLU A 16 3.574 0.441 -0.403 1.00 0.00 C ATOM 257 CG GLU A 16 4.920 -0.261 -0.419 1.00 0.00 C ATOM 258 CD GLU A 16 5.203 -1.010 0.868 1.00 0.00 C ATOM 259 OE1 GLU A 16 5.610 -0.360 1.855 1.00 0.00 O ATOM 260 OE2 GLU A 16 5.019 -2.245 0.891 1.00 0.00 O ATOM 0 H GLU A 16 1.365 1.901 -2.088 1.00 0.00 H new ATOM 0 HA GLU A 16 4.169 2.034 -1.718 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.498 1.041 0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.784 -0.309 -0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.951 -0.959 -1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.707 0.474 -0.588 1.00 0.00 H new ATOM 267 N ALA A 17 4.219 0.684 -3.784 1.00 0.00 N ATOM 268 CA ALA A 17 4.254 -0.060 -5.040 1.00 0.00 C ATOM 269 C ALA A 17 5.471 -0.971 -5.109 1.00 0.00 C ATOM 270 O ALA A 17 5.771 -1.548 -6.155 1.00 0.00 O ATOM 271 CB ALA A 17 4.240 0.896 -6.223 1.00 0.00 C ATOM 0 H ALA A 17 4.986 1.345 -3.664 1.00 0.00 H new ATOM 0 HA ALA A 17 3.363 -0.687 -5.083 1.00 0.00 H new ATOM 0 HB1 ALA A 17 4.266 0.326 -7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.332 1.499 -6.193 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.111 1.549 -6.173 1.00 0.00 H new ATOM 277 N THR A 18 6.171 -1.097 -3.989 1.00 0.00 N ATOM 278 CA THR A 18 7.350 -1.948 -3.920 1.00 0.00 C ATOM 279 C THR A 18 7.007 -3.285 -3.273 1.00 0.00 C ATOM 280 O THR A 18 7.813 -4.215 -3.277 1.00 0.00 O ATOM 281 CB THR A 18 8.495 -1.279 -3.135 1.00 0.00 C ATOM 282 OG1 THR A 18 9.621 -2.162 -3.065 1.00 0.00 O ATOM 283 CG2 THR A 18 8.049 -0.907 -1.730 1.00 0.00 C ATOM 0 H THR A 18 5.942 -0.621 -3.117 1.00 0.00 H new ATOM 0 HA THR A 18 7.687 -2.112 -4.944 1.00 0.00 H new ATOM 0 HB THR A 18 8.778 -0.367 -3.660 1.00 0.00 H new ATOM 0 HG1 THR A 18 9.314 -3.090 -3.132 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.876 -0.437 -1.198 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.212 -0.211 -1.786 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.739 -1.806 -1.197 1.00 0.00 H new ATOM 291 N LYS A 19 5.799 -3.369 -2.720 1.00 0.00 N ATOM 292 CA LYS A 19 5.336 -4.592 -2.076 1.00 0.00 C ATOM 293 C LYS A 19 5.181 -5.707 -3.095 1.00 0.00 C ATOM 294 O LYS A 19 5.608 -6.835 -2.857 1.00 0.00 O ATOM 295 CB LYS A 19 3.993 -4.363 -1.384 1.00 0.00 C ATOM 296 CG LYS A 19 3.323 -5.653 -0.930 1.00 0.00 C ATOM 297 CD LYS A 19 1.814 -5.592 -1.096 1.00 0.00 C ATOM 298 CE LYS A 19 1.138 -6.817 -0.504 1.00 0.00 C ATOM 299 NZ LYS A 19 1.419 -6.958 0.951 1.00 0.00 N ATOM 0 H LYS A 19 5.125 -2.604 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 19 6.082 -4.878 -1.334 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.143 -3.716 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.326 -3.835 -2.066 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.719 -6.490 -1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.567 -5.841 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.430 -4.694 -0.612 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.566 -5.515 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.061 -6.749 -0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.481 -7.709 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.711 -7.586 1.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.368 -7.363 1.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.375 -6.024 1.405 1.00 0.00 H new ATOM 313 N CYS A 20 4.547 -5.378 -4.217 1.00 0.00 N ATOM 314 CA CYS A 20 4.310 -6.336 -5.289 1.00 0.00 C ATOM 315 C CYS A 20 5.558 -7.160 -5.575 1.00 0.00 C ATOM 316 O CYS A 20 6.359 -6.814 -6.445 1.00 0.00 O ATOM 317 CB CYS A 20 3.862 -5.598 -6.551 1.00 0.00 C ATOM 318 SG CYS A 20 2.088 -5.184 -6.572 1.00 0.00 S ATOM 0 H CYS A 20 4.185 -4.444 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 20 3.523 -7.020 -4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.441 -4.679 -6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.092 -6.213 -7.421 1.00 0.00 H new ATOM 323 N PHE A 21 5.717 -8.256 -4.838 1.00 0.00 N ATOM 324 CA PHE A 21 6.871 -9.119 -5.009 1.00 0.00 C ATOM 325 C PHE A 21 6.505 -10.589 -4.780 1.00 0.00 C ATOM 326 O PHE A 21 6.664 -11.412 -5.682 1.00 0.00 O ATOM 327 CB PHE A 21 8.016 -8.642 -4.099 1.00 0.00 C ATOM 328 CG PHE A 21 8.211 -9.412 -2.821 1.00 0.00 C ATOM 329 CD1 PHE A 21 7.528 -9.054 -1.669 1.00 0.00 C ATOM 330 CD2 PHE A 21 9.089 -10.483 -2.768 1.00 0.00 C ATOM 331 CE1 PHE A 21 7.713 -9.752 -0.490 1.00 0.00 C ATOM 332 CE2 PHE A 21 9.280 -11.184 -1.591 1.00 0.00 C ATOM 333 CZ PHE A 21 8.590 -10.817 -0.452 1.00 0.00 C ATOM 0 H PHE A 21 5.061 -8.563 -4.120 1.00 0.00 H new ATOM 0 HA PHE A 21 7.219 -9.053 -6.040 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.945 -8.681 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 21 7.840 -7.596 -3.846 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.843 -8.219 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.630 -10.774 -3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.172 -9.464 0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 21 9.967 -12.017 -1.563 1.00 0.00 H new ATOM 0 HZ PHE A 21 8.737 -11.363 0.468 1.00 0.00 H new ATOM 343 N GLN A 22 6.016 -10.926 -3.586 1.00 0.00 N ATOM 344 CA GLN A 22 5.620 -12.302 -3.305 1.00 0.00 C ATOM 345 C GLN A 22 4.446 -12.379 -2.351 1.00 0.00 C ATOM 346 O GLN A 22 4.442 -11.774 -1.279 1.00 0.00 O ATOM 347 CB GLN A 22 6.760 -13.132 -2.748 1.00 0.00 C ATOM 348 CG GLN A 22 6.397 -14.608 -2.622 1.00 0.00 C ATOM 349 CD GLN A 22 7.621 -15.502 -2.602 1.00 0.00 C ATOM 350 OE1 GLN A 22 8.122 -15.849 -3.782 1.00 0.00 O flip ATOM 351 NE2 GLN A 22 8.121 -15.864 -1.537 1.00 0.00 N flip ATOM 0 H GLN A 22 5.887 -10.276 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 22 5.323 -12.715 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 22 7.631 -13.029 -3.395 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.043 -12.745 -1.769 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.823 -14.762 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.754 -14.894 -3.455 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.703 -15.574 -0.653 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.953 -16.454 -1.539 1.00 0.00 H new ATOM 360 N TRP A 23 3.453 -13.136 -2.772 1.00 0.00 N ATOM 361 CA TRP A 23 2.237 -13.347 -2.010 1.00 0.00 C ATOM 362 C TRP A 23 1.754 -14.761 -2.291 1.00 0.00 C ATOM 363 O TRP A 23 2.061 -15.691 -1.548 1.00 0.00 O ATOM 364 CB TRP A 23 1.204 -12.297 -2.422 1.00 0.00 C ATOM 365 CG TRP A 23 1.796 -11.291 -3.358 1.00 0.00 C ATOM 366 CD1 TRP A 23 2.426 -10.125 -3.035 1.00 0.00 C ATOM 367 CD2 TRP A 23 1.871 -11.406 -4.770 1.00 0.00 C ATOM 368 NE1 TRP A 23 2.871 -9.499 -4.170 1.00 0.00 N ATOM 369 CE2 TRP A 23 2.540 -10.267 -5.251 1.00 0.00 C ATOM 370 CE3 TRP A 23 1.428 -12.361 -5.673 1.00 0.00 C ATOM 371 CZ2 TRP A 23 2.781 -10.065 -6.602 1.00 0.00 C ATOM 372 CZ3 TRP A 23 1.660 -12.167 -7.008 1.00 0.00 C ATOM 373 CH2 TRP A 23 2.334 -11.026 -7.472 1.00 0.00 C ATOM 0 H TRP A 23 3.467 -13.629 -3.665 1.00 0.00 H new ATOM 0 HA TRP A 23 2.406 -13.240 -0.939 1.00 0.00 H new ATOM 0 HB2 TRP A 23 0.355 -12.786 -2.900 1.00 0.00 H new ATOM 0 HB3 TRP A 23 0.822 -11.791 -1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 23 2.555 -9.750 -2.031 1.00 0.00 H new ATOM 0 HE1 TRP A 23 3.367 -8.608 -4.203 1.00 0.00 H new ATOM 0 HE3 TRP A 23 0.909 -13.243 -5.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 3.300 -9.186 -6.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 1.318 -12.906 -7.718 1.00 0.00 H new ATOM 0 HH2 TRP A 23 2.503 -10.903 -8.532 1.00 0.00 H new ATOM 384 N GLN A 24 0.983 -14.912 -3.359 1.00 0.00 N ATOM 385 CA GLN A 24 0.525 -16.222 -3.783 1.00 0.00 C ATOM 386 C GLN A 24 0.373 -16.254 -5.305 1.00 0.00 C ATOM 387 O GLN A 24 0.106 -15.224 -5.924 1.00 0.00 O ATOM 388 CB GLN A 24 -0.770 -16.626 -3.077 1.00 0.00 C ATOM 389 CG GLN A 24 -2.024 -16.027 -3.672 1.00 0.00 C ATOM 390 CD GLN A 24 -3.256 -16.845 -3.341 1.00 0.00 C ATOM 391 OE1 GLN A 24 -3.173 -18.056 -3.142 1.00 0.00 O ATOM 392 NE2 GLN A 24 -4.406 -16.191 -3.290 1.00 0.00 N ATOM 0 H GLN A 24 0.663 -14.142 -3.946 1.00 0.00 H new ATOM 0 HA GLN A 24 1.276 -16.958 -3.496 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.856 -17.712 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.704 -16.332 -2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -2.153 -15.011 -3.299 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.915 -15.958 -4.754 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -4.429 -15.186 -3.462 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -5.269 -16.692 -3.079 1.00 0.00 H new ATOM 401 N ARG A 25 0.561 -17.430 -5.899 1.00 0.00 N ATOM 402 CA ARG A 25 0.446 -17.596 -7.354 1.00 0.00 C ATOM 403 C ARG A 25 -0.754 -16.825 -7.910 1.00 0.00 C ATOM 404 O ARG A 25 -0.753 -16.396 -9.063 1.00 0.00 O ATOM 405 CB ARG A 25 0.335 -19.078 -7.714 1.00 0.00 C ATOM 406 CG ARG A 25 -0.902 -19.758 -7.148 1.00 0.00 C ATOM 407 CD ARG A 25 -0.579 -20.595 -5.918 1.00 0.00 C ATOM 408 NE ARG A 25 -0.199 -19.776 -4.768 1.00 0.00 N ATOM 409 CZ ARG A 25 0.382 -20.272 -3.678 1.00 0.00 C ATOM 410 NH1 ARG A 25 0.631 -21.571 -3.591 1.00 0.00 N ATOM 411 NH2 ARG A 25 0.713 -19.471 -2.675 1.00 0.00 N ATOM 0 H ARG A 25 0.794 -18.287 -5.397 1.00 0.00 H new ATOM 0 HA ARG A 25 1.348 -17.187 -7.808 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.329 -19.179 -8.799 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.222 -19.598 -7.351 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.644 -19.003 -6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.348 -20.394 -7.913 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.446 -21.202 -5.657 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.232 -21.284 -6.154 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.389 -18.774 -4.803 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.377 -22.192 -4.360 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.076 -21.950 -2.755 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.523 -18.471 -2.737 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.158 -19.855 -1.841 1.00 0.00 H new ATOM 425 N ASN A 26 -1.776 -16.673 -7.086 1.00 0.00 N ATOM 426 CA ASN A 26 -2.963 -15.906 -7.448 1.00 0.00 C ATOM 427 C ASN A 26 -3.114 -14.799 -6.419 1.00 0.00 C ATOM 428 O ASN A 26 -3.888 -14.930 -5.478 1.00 0.00 O ATOM 429 CB ASN A 26 -4.216 -16.787 -7.476 1.00 0.00 C ATOM 430 CG ASN A 26 -3.926 -18.231 -7.121 1.00 0.00 C ATOM 431 OD1 ASN A 26 -3.964 -18.543 -5.830 1.00 0.00 O flip ATOM 432 ND2 ASN A 26 -3.674 -19.059 -7.996 1.00 0.00 N flip ATOM 0 H ASN A 26 -1.810 -17.075 -6.149 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.848 -15.495 -8.451 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.952 -16.387 -6.778 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.663 -16.744 -8.469 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.655 -18.776 -8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.484 -20.028 -7.741 1.00 0.00 H new ATOM 439 N MET A 27 -2.398 -13.695 -6.639 1.00 0.00 N ATOM 440 CA MET A 27 -2.360 -12.585 -5.697 1.00 0.00 C ATOM 441 C MET A 27 -3.716 -12.271 -5.085 1.00 0.00 C ATOM 442 O MET A 27 -4.463 -11.417 -5.564 1.00 0.00 O ATOM 443 CB MET A 27 -1.797 -11.348 -6.375 1.00 0.00 C ATOM 444 CG MET A 27 -2.336 -11.111 -7.777 1.00 0.00 C ATOM 445 SD MET A 27 -2.354 -9.365 -8.228 1.00 0.00 S ATOM 446 CE MET A 27 -0.713 -8.859 -7.720 1.00 0.00 C ATOM 0 H MET A 27 -1.831 -13.549 -7.474 1.00 0.00 H new ATOM 0 HA MET A 27 -1.711 -12.892 -4.877 1.00 0.00 H new ATOM 0 HB2 MET A 27 -2.019 -10.476 -5.759 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.712 -11.436 -6.424 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.727 -11.661 -8.494 1.00 0.00 H new ATOM 0 HG3 MET A 27 -3.348 -11.510 -7.845 1.00 0.00 H new ATOM 0 HE1 MET A 27 -0.468 -7.902 -8.181 1.00 0.00 H new ATOM 0 HE2 MET A 27 -0.683 -8.758 -6.635 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.013 -9.609 -8.035 1.00 0.00 H new ATOM 456 N ARG A 28 -4.003 -12.990 -4.012 1.00 0.00 N ATOM 457 CA ARG A 28 -5.246 -12.829 -3.262 1.00 0.00 C ATOM 458 C ARG A 28 -5.015 -13.101 -1.774 1.00 0.00 C ATOM 459 O ARG A 28 -5.528 -12.386 -0.914 1.00 0.00 O ATOM 460 CB ARG A 28 -6.330 -13.766 -3.806 1.00 0.00 C ATOM 461 CG ARG A 28 -6.714 -13.481 -5.250 1.00 0.00 C ATOM 462 CD ARG A 28 -7.686 -14.519 -5.786 1.00 0.00 C ATOM 463 NE ARG A 28 -8.940 -14.541 -5.037 1.00 0.00 N ATOM 464 CZ ARG A 28 -9.986 -15.291 -5.369 1.00 0.00 C ATOM 465 NH1 ARG A 28 -9.932 -16.080 -6.434 1.00 0.00 N ATOM 466 NH2 ARG A 28 -11.089 -15.253 -4.634 1.00 0.00 N ATOM 0 H ARG A 28 -3.382 -13.704 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.583 -11.799 -3.381 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.981 -14.796 -3.728 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.218 -13.683 -3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.164 -12.491 -5.319 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.817 -13.467 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.895 -14.310 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.222 -15.504 -5.743 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.017 -13.947 -4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.085 -16.113 -7.002 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.737 -16.654 -6.685 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.135 -14.648 -3.814 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -11.892 -15.828 -4.889 1.00 0.00 H new ATOM 480 N LYS A 29 -4.231 -14.141 -1.485 1.00 0.00 N ATOM 481 CA LYS A 29 -3.923 -14.528 -0.113 1.00 0.00 C ATOM 482 C LYS A 29 -2.426 -14.785 0.046 1.00 0.00 C ATOM 483 O LYS A 29 -1.931 -15.851 -0.310 1.00 0.00 O ATOM 484 CB LYS A 29 -4.695 -15.790 0.278 1.00 0.00 C ATOM 485 CG LYS A 29 -6.104 -15.866 -0.292 1.00 0.00 C ATOM 486 CD LYS A 29 -7.035 -14.859 0.361 1.00 0.00 C ATOM 487 CE LYS A 29 -8.494 -15.203 0.103 1.00 0.00 C ATOM 488 NZ LYS A 29 -8.774 -15.393 -1.347 1.00 0.00 N ATOM 0 H LYS A 29 -3.796 -14.733 -2.192 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.221 -13.709 0.541 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.134 -16.663 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.752 -15.844 1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.071 -15.686 -1.367 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.499 -16.872 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.850 -14.833 1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.821 -13.861 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.753 -16.113 0.645 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.129 -14.408 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.791 -15.559 -1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.488 -14.541 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.239 -16.212 -1.700 1.00 0.00 H new ATOM 502 N VAL A 30 -1.715 -13.799 0.576 1.00 0.00 N ATOM 503 CA VAL A 30 -0.270 -13.904 0.784 1.00 0.00 C ATOM 504 C VAL A 30 0.101 -15.126 1.628 1.00 0.00 C ATOM 505 O VAL A 30 -0.107 -15.131 2.841 1.00 0.00 O ATOM 506 CB VAL A 30 0.272 -12.647 1.491 1.00 0.00 C ATOM 507 CG1 VAL A 30 1.792 -12.646 1.497 1.00 0.00 C ATOM 508 CG2 VAL A 30 -0.274 -11.389 0.836 1.00 0.00 C ATOM 0 H VAL A 30 -2.116 -12.909 0.873 1.00 0.00 H new ATOM 0 HA VAL A 30 0.178 -14.006 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.066 -12.662 2.527 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.153 -11.750 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.154 -13.529 2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.160 -12.659 0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.120 -10.512 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.028 -11.363 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.362 -11.389 0.900 1.00 0.00 H new ATOM 518 N ARG A 31 0.651 -16.161 0.987 1.00 0.00 N ATOM 519 CA ARG A 31 1.050 -17.365 1.710 1.00 0.00 C ATOM 520 C ARG A 31 2.299 -18.025 1.116 1.00 0.00 C ATOM 521 O ARG A 31 3.300 -18.197 1.813 1.00 0.00 O ATOM 522 CB ARG A 31 -0.101 -18.371 1.753 1.00 0.00 C ATOM 523 CG ARG A 31 -0.751 -18.635 0.407 1.00 0.00 C ATOM 524 CD ARG A 31 -1.974 -19.524 0.554 1.00 0.00 C ATOM 525 NE ARG A 31 -2.860 -19.440 -0.603 1.00 0.00 N ATOM 526 CZ ARG A 31 -3.891 -20.259 -0.803 1.00 0.00 C ATOM 527 NH1 ARG A 31 -4.154 -21.224 0.068 1.00 0.00 N ATOM 528 NH2 ARG A 31 -4.661 -20.115 -1.873 1.00 0.00 N ATOM 0 H ARG A 31 0.827 -16.188 -0.017 1.00 0.00 H new ATOM 0 HA ARG A 31 1.300 -17.052 2.724 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.271 -19.314 2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.861 -18.007 2.445 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.038 -17.690 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.032 -19.109 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.655 -20.557 0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.523 -19.238 1.451 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.680 -18.714 -1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.566 -21.340 0.893 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.944 -21.850 -0.087 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.465 -19.375 -2.547 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.450 -20.744 -2.022 1.00 0.00 H new ATOM 542 N GLY A 32 2.244 -18.394 -0.164 1.00 0.00 N ATOM 543 CA GLY A 32 3.381 -19.058 -0.790 1.00 0.00 C ATOM 544 C GLY A 32 3.969 -18.301 -1.975 1.00 0.00 C ATOM 545 O GLY A 32 4.093 -17.078 -1.928 1.00 0.00 O ATOM 0 H GLY A 32 1.441 -18.247 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.161 -19.202 -0.042 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.071 -20.049 -1.123 1.00 0.00 H new ATOM 549 N PRO A 33 4.361 -19.016 -3.055 1.00 0.00 N ATOM 550 CA PRO A 33 4.948 -18.397 -4.254 1.00 0.00 C ATOM 551 C PRO A 33 3.967 -17.470 -4.972 1.00 0.00 C ATOM 552 O PRO A 33 2.767 -17.698 -4.934 1.00 0.00 O ATOM 553 CB PRO A 33 5.295 -19.592 -5.154 1.00 0.00 C ATOM 554 CG PRO A 33 5.299 -20.774 -4.247 1.00 0.00 C ATOM 555 CD PRO A 33 4.272 -20.478 -3.194 1.00 0.00 C ATOM 0 HA PRO A 33 5.805 -17.773 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 33 4.562 -19.710 -5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 33 6.266 -19.458 -5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.052 -21.686 -4.790 1.00 0.00 H new ATOM 0 HG3 PRO A 33 6.283 -20.924 -3.803 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.275 -20.795 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.495 -20.988 -2.257 1.00 0.00 H new ATOM 563 N PRO A 34 4.478 -16.415 -5.642 1.00 0.00 N ATOM 564 CA PRO A 34 3.684 -15.440 -6.370 1.00 0.00 C ATOM 565 C PRO A 34 3.790 -15.628 -7.879 1.00 0.00 C ATOM 566 O PRO A 34 4.129 -16.711 -8.357 1.00 0.00 O ATOM 567 CB PRO A 34 4.401 -14.158 -5.972 1.00 0.00 C ATOM 568 CG PRO A 34 5.849 -14.555 -5.982 1.00 0.00 C ATOM 569 CD PRO A 34 5.893 -16.055 -5.740 1.00 0.00 C ATOM 0 HA PRO A 34 2.618 -15.487 -6.147 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.201 -13.350 -6.676 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.086 -13.810 -4.988 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.313 -14.303 -6.936 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.402 -14.022 -5.208 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.388 -16.581 -6.557 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.436 -16.301 -4.827 1.00 0.00 H new ATOM 577 N VAL A 35 3.502 -14.564 -8.622 1.00 0.00 N ATOM 578 CA VAL A 35 3.597 -14.596 -10.068 1.00 0.00 C ATOM 579 C VAL A 35 4.060 -13.246 -10.620 1.00 0.00 C ATOM 580 O VAL A 35 5.259 -12.968 -10.663 1.00 0.00 O ATOM 581 CB VAL A 35 2.256 -14.991 -10.694 1.00 0.00 C ATOM 582 CG1 VAL A 35 2.140 -16.504 -10.765 1.00 0.00 C ATOM 583 CG2 VAL A 35 1.108 -14.400 -9.893 1.00 0.00 C ATOM 0 H VAL A 35 3.200 -13.668 -8.240 1.00 0.00 H new ATOM 0 HA VAL A 35 4.340 -15.348 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 35 2.206 -14.593 -11.708 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.183 -16.775 -11.211 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.951 -16.903 -11.375 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.203 -16.921 -9.760 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.160 -14.688 -10.348 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.148 -14.774 -8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.191 -13.313 -9.885 1.00 0.00 H new ATOM 593 N SER A 36 3.114 -12.409 -11.041 1.00 0.00 N ATOM 594 CA SER A 36 3.445 -11.093 -11.577 1.00 0.00 C ATOM 595 C SER A 36 2.374 -10.066 -11.220 1.00 0.00 C ATOM 596 O SER A 36 1.251 -10.131 -11.721 1.00 0.00 O ATOM 597 CB SER A 36 3.605 -11.159 -13.096 1.00 0.00 C ATOM 598 OG SER A 36 3.931 -9.888 -13.630 1.00 0.00 O ATOM 0 H SER A 36 2.116 -12.619 -11.021 1.00 0.00 H new ATOM 0 HA SER A 36 4.388 -10.781 -11.128 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.386 -11.875 -13.352 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.681 -11.520 -13.547 1.00 0.00 H new ATOM 0 HG SER A 36 4.029 -9.957 -14.603 1.00 0.00 H new ATOM 604 N CYS A 37 2.721 -9.123 -10.350 1.00 0.00 N ATOM 605 CA CYS A 37 1.782 -8.080 -9.949 1.00 0.00 C ATOM 606 C CYS A 37 1.579 -7.087 -11.084 1.00 0.00 C ATOM 607 O CYS A 37 0.470 -6.599 -11.307 1.00 0.00 O ATOM 608 CB CYS A 37 2.278 -7.349 -8.698 1.00 0.00 C ATOM 609 SG CYS A 37 1.483 -5.731 -8.430 1.00 0.00 S ATOM 0 H CYS A 37 3.640 -9.059 -9.911 1.00 0.00 H new ATOM 0 HA CYS A 37 0.829 -8.555 -9.716 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.102 -7.979 -7.826 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.356 -7.206 -8.775 1.00 0.00 H new ATOM 614 N ILE A 38 2.659 -6.793 -11.796 1.00 0.00 N ATOM 615 CA ILE A 38 2.607 -5.864 -12.915 1.00 0.00 C ATOM 616 C ILE A 38 2.980 -6.558 -14.221 1.00 0.00 C ATOM 617 O ILE A 38 4.028 -7.196 -14.319 1.00 0.00 O ATOM 618 CB ILE A 38 3.550 -4.664 -12.694 1.00 0.00 C ATOM 619 CG1 ILE A 38 3.168 -3.908 -11.416 1.00 0.00 C ATOM 620 CG2 ILE A 38 3.514 -3.736 -13.899 1.00 0.00 C ATOM 621 CD1 ILE A 38 1.767 -3.331 -11.438 1.00 0.00 C ATOM 0 H ILE A 38 3.583 -7.186 -11.617 1.00 0.00 H new ATOM 0 HA ILE A 38 1.581 -5.501 -12.979 1.00 0.00 H new ATOM 0 HB ILE A 38 4.567 -5.038 -12.577 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.259 -4.584 -10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.881 -3.099 -11.258 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.184 -2.893 -13.729 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.834 -4.281 -14.787 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.498 -3.368 -14.045 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.573 -2.812 -10.499 1.00 0.00 H new ATOM 0 HD12 ILE A 38 1.676 -2.629 -12.267 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.044 -4.137 -11.564 1.00 0.00 H new ATOM 633 N LYS A 39 2.113 -6.427 -15.220 1.00 0.00 N ATOM 634 CA LYS A 39 2.348 -7.039 -16.523 1.00 0.00 C ATOM 635 C LYS A 39 2.491 -5.972 -17.603 1.00 0.00 C ATOM 636 O LYS A 39 2.864 -6.268 -18.739 1.00 0.00 O ATOM 637 CB LYS A 39 1.203 -7.990 -16.876 1.00 0.00 C ATOM 638 CG LYS A 39 0.965 -9.071 -15.834 1.00 0.00 C ATOM 639 CD LYS A 39 -0.278 -9.886 -16.149 1.00 0.00 C ATOM 640 CE LYS A 39 -0.551 -10.922 -15.071 1.00 0.00 C ATOM 641 NZ LYS A 39 -0.709 -10.297 -13.728 1.00 0.00 N ATOM 0 H LYS A 39 1.241 -5.902 -15.152 1.00 0.00 H new ATOM 0 HA LYS A 39 3.278 -7.606 -16.471 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.288 -7.412 -17.003 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.417 -8.462 -17.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.832 -9.731 -15.788 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.861 -8.613 -14.850 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.137 -9.221 -16.242 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.154 -10.384 -17.111 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.455 -11.477 -15.322 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.268 -11.641 -15.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.479 -10.771 -13.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.177 -10.395 -13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.936 -9.288 -13.839 1.00 0.00 H new ATOM 655 N ARG A 40 2.190 -4.729 -17.239 1.00 0.00 N ATOM 656 CA ARG A 40 2.283 -3.610 -18.173 1.00 0.00 C ATOM 657 C ARG A 40 3.714 -3.432 -18.669 1.00 0.00 C ATOM 658 O ARG A 40 3.978 -3.497 -19.869 1.00 0.00 O ATOM 659 CB ARG A 40 1.798 -2.322 -17.504 1.00 0.00 C ATOM 660 CG ARG A 40 0.353 -2.384 -17.037 1.00 0.00 C ATOM 661 CD ARG A 40 -0.031 -1.147 -16.240 1.00 0.00 C ATOM 662 NE ARG A 40 0.148 0.081 -17.011 1.00 0.00 N ATOM 663 CZ ARG A 40 -0.005 1.300 -16.500 1.00 0.00 C ATOM 664 NH1 ARG A 40 -0.337 1.453 -15.225 1.00 0.00 N ATOM 665 NH2 ARG A 40 0.175 2.368 -17.266 1.00 0.00 N ATOM 0 H ARG A 40 1.879 -4.470 -16.303 1.00 0.00 H new ATOM 0 HA ARG A 40 1.647 -3.829 -19.030 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.438 -2.104 -16.649 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.909 -1.495 -18.205 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.305 -2.480 -17.900 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.206 -3.273 -16.424 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.071 -1.228 -15.924 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.574 -1.097 -15.335 1.00 0.00 H new ATOM 0 HE ARG A 40 0.404 -0.001 -17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.476 0.634 -14.632 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.453 2.389 -14.837 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.431 2.255 -18.247 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.058 3.302 -16.874 1.00 0.00 H new ATOM 679 N ASP A 41 4.634 -3.205 -17.735 1.00 0.00 N ATOM 680 CA ASP A 41 6.037 -3.017 -18.071 1.00 0.00 C ATOM 681 C ASP A 41 6.935 -3.608 -16.991 1.00 0.00 C ATOM 682 O ASP A 41 6.513 -3.796 -15.849 1.00 0.00 O ATOM 683 CB ASP A 41 6.348 -1.530 -18.249 1.00 0.00 C ATOM 684 CG ASP A 41 5.588 -0.914 -19.408 1.00 0.00 C ATOM 685 OD1 ASP A 41 6.075 -1.009 -20.554 1.00 0.00 O ATOM 686 OD2 ASP A 41 4.508 -0.335 -19.168 1.00 0.00 O ATOM 0 H ASP A 41 4.429 -3.147 -16.737 1.00 0.00 H new ATOM 0 HA ASP A 41 6.233 -3.536 -19.009 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.099 -0.997 -17.331 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.418 -1.403 -18.411 1.00 0.00 H new ATOM 691 N SER A 42 8.173 -3.898 -17.365 1.00 0.00 N ATOM 692 CA SER A 42 9.145 -4.471 -16.441 1.00 0.00 C ATOM 693 C SER A 42 9.784 -3.393 -15.557 1.00 0.00 C ATOM 694 O SER A 42 9.895 -3.577 -14.344 1.00 0.00 O ATOM 695 CB SER A 42 10.229 -5.233 -17.211 1.00 0.00 C ATOM 696 OG SER A 42 11.169 -5.818 -16.326 1.00 0.00 O ATOM 0 H SER A 42 8.531 -3.745 -18.308 1.00 0.00 H new ATOM 0 HA SER A 42 8.614 -5.166 -15.791 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.768 -6.009 -17.821 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.741 -4.554 -17.893 1.00 0.00 H new ATOM 0 HG SER A 42 11.849 -6.299 -16.842 1.00 0.00 H new ATOM 702 N PRO A 43 10.220 -2.253 -16.142 1.00 0.00 N ATOM 703 CA PRO A 43 10.839 -1.162 -15.375 1.00 0.00 C ATOM 704 C PRO A 43 9.886 -0.562 -14.342 1.00 0.00 C ATOM 705 O PRO A 43 8.943 -1.216 -13.899 1.00 0.00 O ATOM 706 CB PRO A 43 11.190 -0.115 -16.441 1.00 0.00 C ATOM 707 CG PRO A 43 11.186 -0.856 -17.733 1.00 0.00 C ATOM 708 CD PRO A 43 10.160 -1.937 -17.581 1.00 0.00 C ATOM 0 HA PRO A 43 11.699 -1.513 -14.805 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.462 0.697 -16.450 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.165 0.333 -16.247 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.937 -0.194 -18.562 1.00 0.00 H new ATOM 0 HG3 PRO A 43 12.169 -1.277 -17.945 1.00 0.00 H new ATOM 0 HD2 PRO A 43 9.168 -1.596 -17.878 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.396 -2.806 -18.195 1.00 0.00 H new ATOM 716 N ILE A 44 10.144 0.688 -13.965 1.00 0.00 N ATOM 717 CA ILE A 44 9.312 1.380 -12.984 1.00 0.00 C ATOM 718 C ILE A 44 7.842 1.363 -13.390 1.00 0.00 C ATOM 719 O ILE A 44 7.503 1.051 -14.533 1.00 0.00 O ATOM 720 CB ILE A 44 9.765 2.840 -12.779 1.00 0.00 C ATOM 721 CG1 ILE A 44 9.471 3.691 -14.024 1.00 0.00 C ATOM 722 CG2 ILE A 44 11.245 2.889 -12.426 1.00 0.00 C ATOM 723 CD1 ILE A 44 10.299 3.329 -15.241 1.00 0.00 C ATOM 0 H ILE A 44 10.922 1.242 -14.324 1.00 0.00 H new ATOM 0 HA ILE A 44 9.429 0.841 -12.044 1.00 0.00 H new ATOM 0 HB ILE A 44 9.197 3.261 -11.949 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.415 3.592 -14.276 1.00 0.00 H new ATOM 0 HG13 ILE A 44 9.644 4.740 -13.781 1.00 0.00 H new ATOM 0 HG21 ILE A 44 11.551 3.925 -12.284 1.00 0.00 H new ATOM 0 HG22 ILE A 44 11.418 2.330 -11.506 1.00 0.00 H new ATOM 0 HG23 ILE A 44 11.827 2.446 -13.235 1.00 0.00 H new ATOM 0 HD11 ILE A 44 10.027 3.979 -16.073 1.00 0.00 H new ATOM 0 HD12 ILE A 44 11.357 3.457 -15.012 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.109 2.291 -15.514 1.00 0.00 H new ATOM 735 N GLN A 45 6.972 1.703 -12.443 1.00 0.00 N ATOM 736 CA GLN A 45 5.534 1.721 -12.693 1.00 0.00 C ATOM 737 C GLN A 45 5.111 2.999 -13.408 1.00 0.00 C ATOM 738 O GLN A 45 4.142 3.002 -14.168 1.00 0.00 O ATOM 739 CB GLN A 45 4.760 1.577 -11.378 1.00 0.00 C ATOM 740 CG GLN A 45 4.965 2.735 -10.411 1.00 0.00 C ATOM 741 CD GLN A 45 6.334 2.720 -9.759 1.00 0.00 C ATOM 742 OE1 GLN A 45 6.927 1.661 -9.555 1.00 0.00 O ATOM 743 NE2 GLN A 45 6.845 3.901 -9.427 1.00 0.00 N ATOM 0 H GLN A 45 7.238 1.970 -11.495 1.00 0.00 H new ATOM 0 HA GLN A 45 5.300 0.876 -13.340 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.697 1.487 -11.602 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.062 0.651 -10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.832 3.676 -10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.198 2.696 -9.637 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.319 4.755 -9.614 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.763 3.954 -8.985 1.00 0.00 H new ATOM 752 N CYS A 46 5.839 4.085 -13.164 1.00 0.00 N ATOM 753 CA CYS A 46 5.524 5.364 -13.790 1.00 0.00 C ATOM 754 C CYS A 46 6.793 6.142 -14.130 1.00 0.00 C ATOM 755 O CYS A 46 7.189 6.220 -15.293 1.00 0.00 O ATOM 756 CB CYS A 46 4.629 6.196 -12.867 1.00 0.00 C ATOM 757 SG CYS A 46 4.020 7.742 -13.615 1.00 0.00 S ATOM 0 H CYS A 46 6.646 4.105 -12.541 1.00 0.00 H new ATOM 0 HA CYS A 46 4.992 5.162 -14.720 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.775 5.590 -12.565 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.185 6.438 -11.961 1.00 0.00 H new ATOM 762 N ILE A 47 7.427 6.714 -13.110 1.00 0.00 N ATOM 763 CA ILE A 47 8.649 7.486 -13.307 1.00 0.00 C ATOM 764 C ILE A 47 9.781 6.957 -12.432 1.00 0.00 C ATOM 765 O ILE A 47 9.562 6.562 -11.286 1.00 0.00 O ATOM 766 CB ILE A 47 8.425 8.979 -12.996 1.00 0.00 C ATOM 767 CG1 ILE A 47 7.263 9.525 -13.830 1.00 0.00 C ATOM 768 CG2 ILE A 47 9.696 9.774 -13.264 1.00 0.00 C ATOM 769 CD1 ILE A 47 6.838 10.924 -13.438 1.00 0.00 C ATOM 0 H ILE A 47 7.115 6.657 -12.141 1.00 0.00 H new ATOM 0 HA ILE A 47 8.926 7.379 -14.356 1.00 0.00 H new ATOM 0 HB ILE A 47 8.172 9.082 -11.941 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.550 9.523 -14.882 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.410 8.854 -13.731 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.521 10.826 -13.040 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.501 9.397 -12.633 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.977 9.668 -14.312 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.011 11.244 -14.072 1.00 0.00 H new ATOM 0 HD12 ILE A 47 6.520 10.929 -12.396 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.677 11.608 -13.564 1.00 0.00 H new ATOM 781 N GLN A 48 10.992 6.953 -12.982 1.00 0.00 N ATOM 782 CA GLN A 48 12.163 6.473 -12.256 1.00 0.00 C ATOM 783 C GLN A 48 12.821 7.603 -11.472 1.00 0.00 C ATOM 784 O GLN A 48 12.974 8.715 -11.977 1.00 0.00 O ATOM 785 CB GLN A 48 13.171 5.854 -13.228 1.00 0.00 C ATOM 786 CG GLN A 48 13.614 6.804 -14.331 1.00 0.00 C ATOM 787 CD GLN A 48 14.623 6.178 -15.276 1.00 0.00 C ATOM 788 OE1 GLN A 48 15.441 5.270 -14.756 1.00 0.00 O flip ATOM 789 NE2 GLN A 48 14.669 6.511 -16.460 1.00 0.00 N flip ATOM 0 H GLN A 48 11.188 7.277 -13.929 1.00 0.00 H new ATOM 0 HA GLN A 48 11.834 5.711 -11.549 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.047 5.525 -12.669 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.729 4.966 -13.680 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.741 7.126 -14.900 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.049 7.697 -13.882 1.00 0.00 H new ATOM 0 HE21 GLN A 48 14.021 7.213 -16.818 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.355 6.085 -17.083 1.00 0.00 H new ATOM 798 N ALA A 49 13.210 7.310 -10.235 1.00 0.00 N ATOM 799 CA ALA A 49 13.853 8.300 -9.379 1.00 0.00 C ATOM 800 C ALA A 49 14.954 7.665 -8.537 1.00 0.00 C ATOM 801 O ALA A 49 14.648 7.190 -7.423 1.00 0.00 O ATOM 802 CB ALA A 49 12.822 8.974 -8.485 1.00 0.00 C ATOM 803 OXT ALA A 49 16.115 7.647 -8.999 1.00 0.00 O ATOM 0 H ALA A 49 13.091 6.394 -9.803 1.00 0.00 H new ATOM 0 HA ALA A 49 14.311 9.055 -10.018 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.316 9.711 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.074 9.470 -9.103 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.337 8.224 -7.860 1.00 0.00 H new TER 809 ALA A 49