USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 633 hydrogens (5 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 42 MET CE :methyl -144:sc= -0.111 (180deg=-0.541) USER MOD Set 1.2: A 44 ASN :FLIP amide:sc= -0.227 X(o=-1.3,f=-1) USER MOD Set 1.3: A 45 ASN :FLIP amide:sc= -0.669 F(o=-1.9,f=-1) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -158:sc= -0.111 (180deg=-0.606) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -0.266 (180deg=-1.02) USER MOD Single : A 24 LYS NZ :NH3+ 159:sc= -0.0395 (180deg=-0.482) USER MOD Single : A 27 HIS : no HD1:sc=-0.00989 X(o=-0.0099,f=0) USER MOD Single : A 31 SER OG : rot -81:sc= 0.448 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc= -0.0586 (180deg=-0.495) USER MOD Single : A 46 THR OG1 : rot -153:sc= 0.561 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0561) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.164 F(o=-1.6,f=-0.16) USER MOD Single : A 54 TYR OH : rot -61:sc= 0.0236 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -168:sc=-0.00318 (180deg=-0.174) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -167:sc= -0.0239 (180deg=-0.268) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 147:sc= -0.179 (180deg=-0.878) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 BME O1 : rot 180:sc= 0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 -1.137 -12.084 5.582 1.00 0.00 N ATOM 2 CA ASN A 3 0.207 -11.960 4.915 1.00 0.00 C ATOM 3 C ASN A 3 0.101 -11.072 3.674 1.00 0.00 C ATOM 4 O ASN A 3 -0.925 -10.459 3.449 1.00 0.00 O ATOM 5 CB ASN A 3 0.754 -13.369 4.497 1.00 0.00 C ATOM 6 CG ASN A 3 0.774 -14.294 5.720 1.00 0.00 C ATOM 7 OD1 ASN A 3 1.525 -14.091 6.653 1.00 0.00 O ATOM 8 ND2 ASN A 3 -0.039 -15.316 5.755 1.00 0.00 N ATOM 0 HA ASN A 3 0.897 -11.510 5.629 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.127 -13.797 3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 3 1.758 -13.273 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.041 -15.939 6.563 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.672 -15.491 4.974 1.00 0.00 H new ATOM 15 N ALA A 4 1.175 -11.034 2.920 1.00 0.00 N ATOM 16 CA ALA A 4 1.258 -10.219 1.669 1.00 0.00 C ATOM 17 C ALA A 4 1.266 -8.731 2.038 1.00 0.00 C ATOM 18 O ALA A 4 0.226 -8.164 2.310 1.00 0.00 O ATOM 19 CB ALA A 4 0.058 -10.509 0.729 1.00 0.00 C ATOM 0 H ALA A 4 2.027 -11.554 3.131 1.00 0.00 H new ATOM 0 HA ALA A 4 2.175 -10.485 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.146 -9.902 -0.172 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.056 -11.564 0.456 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.873 -10.265 1.241 1.00 0.00 H new ATOM 25 N PRO A 5 2.435 -8.129 2.053 1.00 0.00 N ATOM 26 CA PRO A 5 2.575 -6.680 2.356 1.00 0.00 C ATOM 27 C PRO A 5 1.972 -5.881 1.187 1.00 0.00 C ATOM 28 O PRO A 5 2.560 -5.778 0.135 1.00 0.00 O ATOM 29 CB PRO A 5 4.089 -6.517 2.570 1.00 0.00 C ATOM 30 CG PRO A 5 4.705 -7.596 1.647 1.00 0.00 C ATOM 31 CD PRO A 5 3.748 -8.785 1.772 1.00 0.00 C ATOM 0 HA PRO A 5 2.045 -6.308 3.233 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.427 -5.517 2.299 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.366 -6.675 3.612 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.775 -7.247 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.714 -7.862 1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.717 -9.376 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.043 -9.459 2.576 1.00 0.00 H new ATOM 39 N LYS A 6 0.794 -5.353 1.416 1.00 0.00 N ATOM 40 CA LYS A 6 0.049 -4.543 0.401 1.00 0.00 C ATOM 41 C LYS A 6 0.881 -3.395 -0.157 1.00 0.00 C ATOM 42 O LYS A 6 2.031 -3.209 0.192 1.00 0.00 O ATOM 43 CB LYS A 6 -1.257 -3.956 1.043 1.00 0.00 C ATOM 44 CG LYS A 6 -2.436 -4.957 1.058 1.00 0.00 C ATOM 45 CD LYS A 6 -2.099 -6.202 1.895 1.00 0.00 C ATOM 46 CE LYS A 6 -3.352 -7.085 2.066 1.00 0.00 C ATOM 47 NZ LYS A 6 -4.429 -6.343 2.784 1.00 0.00 N ATOM 0 H LYS A 6 0.299 -5.455 2.302 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.193 -5.214 -0.423 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.042 -3.643 2.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.554 -3.063 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.323 -4.472 1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.676 -5.256 0.038 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.307 -6.772 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.721 -5.901 2.872 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.714 -7.404 1.089 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.094 -7.987 2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.090 -7.021 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.007 -5.752 3.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.942 -5.738 2.111 1.00 0.00 H new ATOM 61 N ARG A 7 0.242 -2.644 -1.017 1.00 0.00 N ATOM 62 CA ARG A 7 0.946 -1.498 -1.635 1.00 0.00 C ATOM 63 C ARG A 7 0.746 -0.251 -0.744 1.00 0.00 C ATOM 64 O ARG A 7 -0.375 0.069 -0.402 1.00 0.00 O ATOM 65 CB ARG A 7 0.356 -1.259 -3.036 1.00 0.00 C ATOM 66 CG ARG A 7 0.673 -2.454 -3.966 1.00 0.00 C ATOM 67 CD ARG A 7 -0.128 -2.313 -5.278 1.00 0.00 C ATOM 68 NE ARG A 7 -1.573 -2.581 -4.986 1.00 0.00 N ATOM 69 CZ ARG A 7 -2.483 -1.662 -5.178 1.00 0.00 C ATOM 70 NH1 ARG A 7 -2.647 -1.154 -6.369 1.00 0.00 N ATOM 71 NH2 ARG A 7 -3.204 -1.278 -4.161 1.00 0.00 N ATOM 0 H ARG A 7 -0.726 -2.778 -1.311 1.00 0.00 H new ATOM 0 HA ARG A 7 2.013 -1.701 -1.725 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.723 -1.122 -2.965 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.767 -0.342 -3.459 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.741 -2.487 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.418 -3.391 -3.471 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.005 -1.312 -5.691 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.243 -3.014 -6.025 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.851 -3.496 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.067 -1.474 -7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.355 -0.437 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.051 -1.693 -3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.920 -0.563 -4.285 1.00 0.00 H new ATOM 85 N PRO A 8 1.828 0.420 -0.397 1.00 0.00 N ATOM 86 CA PRO A 8 1.808 1.612 0.509 1.00 0.00 C ATOM 87 C PRO A 8 1.024 2.783 -0.133 1.00 0.00 C ATOM 88 O PRO A 8 0.594 2.652 -1.264 1.00 0.00 O ATOM 89 CB PRO A 8 3.294 1.913 0.736 1.00 0.00 C ATOM 90 CG PRO A 8 3.932 1.444 -0.575 1.00 0.00 C ATOM 91 CD PRO A 8 3.219 0.117 -0.847 1.00 0.00 C ATOM 0 HA PRO A 8 1.292 1.442 1.454 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.470 2.973 0.916 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.691 1.373 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.773 2.161 -1.381 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.009 1.311 -0.475 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.257 -0.159 -1.901 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.660 -0.707 -0.286 1.00 0.00 H new ATOM 99 N PRO A 9 0.848 3.880 0.581 1.00 0.00 N ATOM 100 CA PRO A 9 0.234 5.132 0.042 1.00 0.00 C ATOM 101 C PRO A 9 0.631 5.531 -1.397 1.00 0.00 C ATOM 102 O PRO A 9 1.542 4.992 -1.995 1.00 0.00 O ATOM 103 CB PRO A 9 0.595 6.201 1.106 1.00 0.00 C ATOM 104 CG PRO A 9 1.711 5.535 1.947 1.00 0.00 C ATOM 105 CD PRO A 9 1.240 4.082 2.007 1.00 0.00 C ATOM 0 HA PRO A 9 -0.839 5.001 -0.095 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.943 7.124 0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.267 6.459 1.721 1.00 0.00 H new ATOM 0 HG2 PRO A 9 2.689 5.628 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 9 1.794 5.978 2.939 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.030 3.400 2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.405 3.942 2.693 1.00 0.00 H new ATOM 113 N SER A 10 -0.093 6.501 -1.887 1.00 0.00 N ATOM 114 CA SER A 10 0.108 7.048 -3.266 1.00 0.00 C ATOM 115 C SER A 10 1.237 8.085 -3.379 1.00 0.00 C ATOM 116 O SER A 10 1.984 8.053 -4.336 1.00 0.00 O ATOM 117 CB SER A 10 -1.212 7.694 -3.727 1.00 0.00 C ATOM 118 OG SER A 10 -2.160 6.635 -3.699 1.00 0.00 O ATOM 0 H SER A 10 -0.845 6.955 -1.369 1.00 0.00 H new ATOM 0 HA SER A 10 0.403 6.210 -3.897 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.507 8.508 -3.065 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.118 8.116 -4.728 1.00 0.00 H new ATOM 0 HG SER A 10 -3.036 6.972 -3.981 1.00 0.00 H new ATOM 124 N ALA A 11 1.298 8.943 -2.390 1.00 0.00 N ATOM 125 CA ALA A 11 2.278 10.073 -2.231 1.00 0.00 C ATOM 126 C ALA A 11 1.327 11.201 -1.827 1.00 0.00 C ATOM 127 O ALA A 11 1.512 11.924 -0.866 1.00 0.00 O ATOM 128 CB ALA A 11 2.953 10.468 -3.541 1.00 0.00 C ATOM 0 H ALA A 11 0.641 8.898 -1.611 1.00 0.00 H new ATOM 0 HA ALA A 11 3.091 9.833 -1.546 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.648 11.288 -3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.497 9.613 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.197 10.786 -4.259 1.00 0.00 H new ATOM 134 N PHE A 12 0.309 11.275 -2.644 1.00 0.00 N ATOM 135 CA PHE A 12 -0.789 12.253 -2.509 1.00 0.00 C ATOM 136 C PHE A 12 -1.417 11.852 -1.183 1.00 0.00 C ATOM 137 O PHE A 12 -1.753 12.700 -0.393 1.00 0.00 O ATOM 138 CB PHE A 12 -1.693 12.035 -3.770 1.00 0.00 C ATOM 139 CG PHE A 12 -3.196 12.431 -3.746 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.875 13.007 -2.684 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.914 12.139 -4.895 1.00 0.00 C ATOM 142 CE1 PHE A 12 -5.226 13.268 -2.780 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.260 12.404 -4.984 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.919 12.969 -3.922 1.00 0.00 C ATOM 0 H PHE A 12 0.199 10.653 -3.445 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.544 13.315 -2.485 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.231 12.579 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.644 10.975 -4.020 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.344 13.253 -1.777 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.406 11.694 -5.738 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.744 13.714 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.798 12.167 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.977 13.176 -3.986 1.00 0.00 H new ATOM 154 N PHE A 13 -1.539 10.570 -0.960 1.00 0.00 N ATOM 155 CA PHE A 13 -2.152 10.092 0.312 1.00 0.00 C ATOM 156 C PHE A 13 -1.610 10.775 1.581 1.00 0.00 C ATOM 157 O PHE A 13 -2.392 11.230 2.386 1.00 0.00 O ATOM 158 CB PHE A 13 -1.956 8.563 0.422 1.00 0.00 C ATOM 159 CG PHE A 13 -3.353 7.959 0.659 1.00 0.00 C ATOM 160 CD1 PHE A 13 -4.258 7.878 -0.391 1.00 0.00 C ATOM 161 CD2 PHE A 13 -3.738 7.511 1.910 1.00 0.00 C ATOM 162 CE1 PHE A 13 -5.522 7.361 -0.191 1.00 0.00 C ATOM 163 CE2 PHE A 13 -5.003 6.995 2.109 1.00 0.00 C ATOM 164 CZ PHE A 13 -5.896 6.919 1.059 1.00 0.00 C ATOM 0 H PHE A 13 -1.241 9.836 -1.602 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.208 10.359 0.262 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.510 8.163 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.282 8.316 1.243 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.970 8.223 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.045 7.565 2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.218 7.303 -1.015 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.295 6.650 3.090 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.885 6.514 1.217 1.00 0.00 H new ATOM 174 N LEU A 14 -0.309 10.845 1.740 1.00 0.00 N ATOM 175 CA LEU A 14 0.267 11.497 2.956 1.00 0.00 C ATOM 176 C LEU A 14 -0.367 12.880 3.161 1.00 0.00 C ATOM 177 O LEU A 14 -0.974 13.193 4.169 1.00 0.00 O ATOM 178 CB LEU A 14 1.807 11.688 2.816 1.00 0.00 C ATOM 179 CG LEU A 14 2.698 10.415 2.624 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.307 9.237 3.532 1.00 0.00 C ATOM 181 CD2 LEU A 14 2.812 9.944 1.164 1.00 0.00 C ATOM 0 H LEU A 14 0.377 10.479 1.080 1.00 0.00 H new ATOM 0 HA LEU A 14 0.057 10.848 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.984 12.349 1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.160 12.210 3.706 1.00 0.00 H new ATOM 0 HG LEU A 14 3.685 10.756 2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.970 8.394 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.395 9.537 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.278 8.944 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.445 9.058 1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.820 9.702 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.251 10.737 0.559 1.00 0.00 H new ATOM 193 N PHE A 15 -0.193 13.662 2.133 1.00 0.00 N ATOM 194 CA PHE A 15 -0.712 15.045 2.092 1.00 0.00 C ATOM 195 C PHE A 15 -2.254 15.057 2.316 1.00 0.00 C ATOM 196 O PHE A 15 -2.742 15.774 3.166 1.00 0.00 O ATOM 197 CB PHE A 15 -0.179 15.560 0.711 1.00 0.00 C ATOM 198 CG PHE A 15 -1.127 16.403 -0.127 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.355 17.748 0.111 1.00 0.00 C ATOM 200 CD2 PHE A 15 -1.757 15.780 -1.176 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.211 18.446 -0.716 1.00 0.00 C ATOM 202 CE2 PHE A 15 -2.599 16.476 -1.982 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.832 17.808 -1.764 1.00 0.00 C ATOM 0 H PHE A 15 0.308 13.381 1.290 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.379 15.715 2.885 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.722 16.145 0.893 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.117 14.694 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.867 18.246 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.582 14.730 -1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.394 19.496 -0.540 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -3.090 15.975 -2.803 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.501 18.355 -2.412 1.00 0.00 H new ATOM 213 N CYS A 16 -2.964 14.256 1.558 1.00 0.00 N ATOM 214 CA CYS A 16 -4.460 14.130 1.639 1.00 0.00 C ATOM 215 C CYS A 16 -4.923 13.901 3.078 1.00 0.00 C ATOM 216 O CYS A 16 -5.841 14.546 3.542 1.00 0.00 O ATOM 217 CB CYS A 16 -4.953 12.940 0.781 1.00 0.00 C ATOM 218 SG CYS A 16 -5.023 11.284 1.511 1.00 0.00 S ATOM 0 H CYS A 16 -2.546 13.653 0.849 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.878 15.065 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.955 13.184 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -4.311 12.883 -0.098 1.00 0.00 H new ATOM 223 N SER A 17 -4.273 12.976 3.742 1.00 0.00 N ATOM 224 CA SER A 17 -4.628 12.660 5.154 1.00 0.00 C ATOM 225 C SER A 17 -4.608 13.944 5.989 1.00 0.00 C ATOM 226 O SER A 17 -5.553 14.268 6.684 1.00 0.00 O ATOM 227 CB SER A 17 -3.616 11.643 5.695 1.00 0.00 C ATOM 228 OG SER A 17 -4.082 11.341 7.003 1.00 0.00 O ATOM 0 H SER A 17 -3.506 12.424 3.359 1.00 0.00 H new ATOM 0 HA SER A 17 -5.630 12.234 5.209 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.578 10.750 5.071 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.609 12.059 5.718 1.00 0.00 H new ATOM 0 HG SER A 17 -3.483 10.688 7.421 1.00 0.00 H new ATOM 234 N GLU A 18 -3.500 14.623 5.865 1.00 0.00 N ATOM 235 CA GLU A 18 -3.272 15.905 6.591 1.00 0.00 C ATOM 236 C GLU A 18 -4.202 17.044 6.100 1.00 0.00 C ATOM 237 O GLU A 18 -4.267 18.103 6.694 1.00 0.00 O ATOM 238 CB GLU A 18 -1.787 16.235 6.389 1.00 0.00 C ATOM 239 CG GLU A 18 -1.403 17.552 7.100 1.00 0.00 C ATOM 240 CD GLU A 18 -1.155 18.663 6.057 1.00 0.00 C ATOM 241 OE1 GLU A 18 -0.167 18.532 5.351 1.00 0.00 O ATOM 242 OE2 GLU A 18 -1.962 19.577 6.021 1.00 0.00 O ATOM 0 H GLU A 18 -2.721 14.333 5.273 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.515 15.803 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.175 15.419 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.572 16.318 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.199 17.853 7.781 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.508 17.402 7.703 1.00 0.00 H new ATOM 249 N TYR A 19 -4.906 16.785 5.032 1.00 0.00 N ATOM 250 CA TYR A 19 -5.850 17.781 4.430 1.00 0.00 C ATOM 251 C TYR A 19 -7.292 17.490 4.777 1.00 0.00 C ATOM 252 O TYR A 19 -8.095 18.403 4.836 1.00 0.00 O ATOM 253 CB TYR A 19 -5.714 17.761 2.905 1.00 0.00 C ATOM 254 CG TYR A 19 -4.712 18.817 2.470 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.431 18.765 2.969 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.056 19.816 1.587 1.00 0.00 C ATOM 257 CE1 TYR A 19 -2.497 19.700 2.594 1.00 0.00 C ATOM 258 CE2 TYR A 19 -4.128 20.751 1.212 1.00 0.00 C ATOM 259 CZ TYR A 19 -2.838 20.706 1.709 1.00 0.00 C ATOM 260 OH TYR A 19 -1.913 21.656 1.325 1.00 0.00 O ATOM 0 H TYR A 19 -4.867 15.896 4.533 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.586 18.756 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.388 16.776 2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.682 17.950 2.441 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.157 17.983 3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.059 19.862 1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.494 19.649 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.407 21.532 0.520 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.329 22.283 0.698 1.00 0.00 H new ATOM 270 N ARG A 20 -7.560 16.224 4.982 1.00 0.00 N ATOM 271 CA ARG A 20 -8.934 15.763 5.328 1.00 0.00 C ATOM 272 C ARG A 20 -9.717 16.849 6.108 1.00 0.00 C ATOM 273 O ARG A 20 -10.660 17.375 5.557 1.00 0.00 O ATOM 274 CB ARG A 20 -8.795 14.420 6.124 1.00 0.00 C ATOM 275 CG ARG A 20 -10.190 13.970 6.616 1.00 0.00 C ATOM 276 CD ARG A 20 -10.121 12.615 7.342 1.00 0.00 C ATOM 277 NE ARG A 20 -9.605 11.574 6.397 1.00 0.00 N ATOM 278 CZ ARG A 20 -8.705 10.718 6.799 1.00 0.00 C ATOM 279 NH1 ARG A 20 -7.511 11.136 7.119 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.047 9.459 6.864 1.00 0.00 N ATOM 0 H ARG A 20 -6.867 15.478 4.922 1.00 0.00 H new ATOM 0 HA ARG A 20 -9.519 15.585 4.426 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.356 13.651 5.488 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.124 14.555 6.972 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.601 14.724 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -10.870 13.895 5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.469 12.688 8.212 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -11.109 12.334 7.707 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.956 11.534 5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.284 12.128 7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.805 10.470 7.434 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.991 9.173 6.605 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.370 8.762 7.174 1.00 0.00 H new ATOM 294 N PRO A 21 -9.335 17.195 7.318 1.00 0.00 N ATOM 295 CA PRO A 21 -10.159 18.076 8.190 1.00 0.00 C ATOM 296 C PRO A 21 -10.175 19.565 7.773 1.00 0.00 C ATOM 297 O PRO A 21 -11.055 20.300 8.183 1.00 0.00 O ATOM 298 CB PRO A 21 -9.564 17.848 9.567 1.00 0.00 C ATOM 299 CG PRO A 21 -8.064 17.701 9.252 1.00 0.00 C ATOM 300 CD PRO A 21 -8.068 16.800 8.007 1.00 0.00 C ATOM 0 HA PRO A 21 -11.218 17.826 8.131 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.759 18.684 10.239 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -9.970 16.955 10.043 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.596 18.665 9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -7.519 17.246 10.079 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.194 16.974 7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.064 15.743 8.272 1.00 0.00 H new ATOM 308 N LYS A 22 -9.218 19.965 6.972 1.00 0.00 N ATOM 309 CA LYS A 22 -9.136 21.392 6.510 1.00 0.00 C ATOM 310 C LYS A 22 -10.072 21.729 5.350 1.00 0.00 C ATOM 311 O LYS A 22 -10.617 22.816 5.319 1.00 0.00 O ATOM 312 CB LYS A 22 -7.685 21.747 6.053 1.00 0.00 C ATOM 313 CG LYS A 22 -6.808 22.165 7.251 1.00 0.00 C ATOM 314 CD LYS A 22 -6.389 20.948 8.088 1.00 0.00 C ATOM 315 CE LYS A 22 -6.148 21.384 9.544 1.00 0.00 C ATOM 316 NZ LYS A 22 -7.428 21.873 10.143 1.00 0.00 N ATOM 0 H LYS A 22 -8.480 19.359 6.613 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.441 21.977 7.377 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.238 20.887 5.554 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.719 22.557 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.920 22.684 6.891 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.356 22.869 7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.164 20.183 8.050 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.483 20.504 7.675 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.760 20.547 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.395 22.172 9.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.455 21.628 11.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.489 22.906 10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.232 21.426 9.657 1.00 0.00 H new ATOM 330 N ILE A 23 -10.263 20.813 4.437 1.00 0.00 N ATOM 331 CA ILE A 23 -11.165 21.123 3.284 1.00 0.00 C ATOM 332 C ILE A 23 -12.556 20.642 3.622 1.00 0.00 C ATOM 333 O ILE A 23 -13.544 21.170 3.156 1.00 0.00 O ATOM 334 CB ILE A 23 -10.620 20.438 1.992 1.00 0.00 C ATOM 335 CG1 ILE A 23 -9.900 19.095 2.284 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.631 21.426 1.341 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.622 18.378 0.958 1.00 0.00 C ATOM 0 H ILE A 23 -9.845 19.883 4.436 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.199 22.197 3.099 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.457 20.201 1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.966 19.277 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.518 18.469 2.928 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.224 20.986 0.431 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.150 22.352 1.096 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.819 21.639 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.116 17.433 1.155 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.564 18.185 0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.988 19.005 0.331 1.00 0.00 H new ATOM 349 N LYS A 24 -12.563 19.638 4.443 1.00 0.00 N ATOM 350 CA LYS A 24 -13.813 19.011 4.926 1.00 0.00 C ATOM 351 C LYS A 24 -14.447 20.000 5.930 1.00 0.00 C ATOM 352 O LYS A 24 -15.650 20.046 6.091 1.00 0.00 O ATOM 353 CB LYS A 24 -13.415 17.738 5.597 1.00 0.00 C ATOM 354 CG LYS A 24 -14.648 16.920 6.056 1.00 0.00 C ATOM 355 CD LYS A 24 -14.216 15.871 7.109 1.00 0.00 C ATOM 356 CE LYS A 24 -13.855 16.572 8.440 1.00 0.00 C ATOM 357 NZ LYS A 24 -15.065 17.204 9.037 1.00 0.00 N ATOM 0 H LYS A 24 -11.715 19.209 4.814 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.531 18.795 4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.815 17.138 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.786 17.962 6.459 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.401 17.585 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.106 16.423 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.022 15.155 7.273 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -13.359 15.307 6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.433 15.848 9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.090 17.329 8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.912 17.353 10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.242 18.119 8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.886 16.582 8.897 1.00 0.00 H new ATOM 371 N GLY A 25 -13.584 20.761 6.565 1.00 0.00 N ATOM 372 CA GLY A 25 -14.023 21.770 7.571 1.00 0.00 C ATOM 373 C GLY A 25 -14.648 22.965 6.861 1.00 0.00 C ATOM 374 O GLY A 25 -15.702 23.438 7.246 1.00 0.00 O ATOM 0 H GLY A 25 -12.575 20.720 6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -14.744 21.324 8.257 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -13.172 22.095 8.170 1.00 0.00 H new ATOM 378 N GLU A 26 -13.972 23.414 5.837 1.00 0.00 N ATOM 379 CA GLU A 26 -14.458 24.575 5.039 1.00 0.00 C ATOM 380 C GLU A 26 -15.697 24.187 4.237 1.00 0.00 C ATOM 381 O GLU A 26 -16.684 24.895 4.215 1.00 0.00 O ATOM 382 CB GLU A 26 -13.350 25.018 4.074 1.00 0.00 C ATOM 383 CG GLU A 26 -12.088 25.439 4.847 1.00 0.00 C ATOM 384 CD GLU A 26 -12.259 26.848 5.449 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.005 26.960 6.408 1.00 0.00 O ATOM 386 OE2 GLU A 26 -11.628 27.742 4.908 1.00 0.00 O ATOM 0 H GLU A 26 -13.089 23.018 5.516 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.716 25.389 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.109 24.203 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.703 25.850 3.465 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.887 24.721 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.226 25.426 4.180 1.00 0.00 H new ATOM 393 N HIS A 27 -15.588 23.050 3.602 1.00 0.00 N ATOM 394 CA HIS A 27 -16.681 22.495 2.757 1.00 0.00 C ATOM 395 C HIS A 27 -17.073 21.080 3.228 1.00 0.00 C ATOM 396 O HIS A 27 -16.663 20.095 2.643 1.00 0.00 O ATOM 397 CB HIS A 27 -16.180 22.470 1.297 1.00 0.00 C ATOM 398 CG HIS A 27 -15.461 23.787 0.989 1.00 0.00 C ATOM 399 ND1 HIS A 27 -16.031 24.944 0.910 1.00 0.00 N ATOM 400 CD2 HIS A 27 -14.121 24.043 0.747 1.00 0.00 C ATOM 401 CE1 HIS A 27 -15.140 25.848 0.646 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.940 25.332 0.533 1.00 0.00 N ATOM 0 H HIS A 27 -14.754 22.464 3.638 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.573 23.117 2.838 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.504 21.629 1.146 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -17.018 22.331 0.614 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.340 23.297 0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -15.360 26.899 0.533 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.066 25.816 0.327 1.00 0.00 H new ATOM 410 N PRO A 28 -17.856 21.009 4.278 1.00 0.00 N ATOM 411 CA PRO A 28 -18.580 19.767 4.661 1.00 0.00 C ATOM 412 C PRO A 28 -19.836 19.649 3.769 1.00 0.00 C ATOM 413 O PRO A 28 -20.930 19.402 4.240 1.00 0.00 O ATOM 414 CB PRO A 28 -18.865 19.985 6.149 1.00 0.00 C ATOM 415 CG PRO A 28 -19.172 21.508 6.190 1.00 0.00 C ATOM 416 CD PRO A 28 -18.122 22.124 5.227 1.00 0.00 C ATOM 0 HA PRO A 28 -18.046 18.828 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -19.708 19.388 6.496 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.010 19.723 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.189 21.720 5.861 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.073 21.909 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.509 23.006 4.717 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.219 22.431 5.755 1.00 0.00 H new ATOM 424 N GLY A 29 -19.604 19.833 2.491 1.00 0.00 N ATOM 425 CA GLY A 29 -20.669 19.769 1.456 1.00 0.00 C ATOM 426 C GLY A 29 -20.286 18.849 0.290 1.00 0.00 C ATOM 427 O GLY A 29 -21.143 18.508 -0.502 1.00 0.00 O ATOM 0 H GLY A 29 -18.677 20.033 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.594 19.413 1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.866 20.772 1.077 1.00 0.00 H new ATOM 431 N LEU A 30 -19.031 18.471 0.207 1.00 0.00 N ATOM 432 CA LEU A 30 -18.585 17.582 -0.900 1.00 0.00 C ATOM 433 C LEU A 30 -18.600 16.111 -0.452 1.00 0.00 C ATOM 434 O LEU A 30 -18.967 15.793 0.661 1.00 0.00 O ATOM 435 CB LEU A 30 -17.139 17.929 -1.349 1.00 0.00 C ATOM 436 CG LEU A 30 -16.574 19.282 -0.862 1.00 0.00 C ATOM 437 CD1 LEU A 30 -15.079 19.346 -1.248 1.00 0.00 C ATOM 438 CD2 LEU A 30 -17.304 20.440 -1.566 1.00 0.00 C ATOM 0 H LEU A 30 -18.299 18.744 0.863 1.00 0.00 H new ATOM 0 HA LEU A 30 -19.276 17.733 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.475 17.137 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -17.108 17.918 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.708 19.369 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.657 20.294 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.545 18.524 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.979 19.266 -2.330 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.900 21.390 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.161 20.359 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -18.368 20.392 -1.336 1.00 0.00 H new ATOM 450 N SER A 31 -18.185 15.271 -1.365 1.00 0.00 N ATOM 451 CA SER A 31 -18.119 13.798 -1.140 1.00 0.00 C ATOM 452 C SER A 31 -16.666 13.332 -1.141 1.00 0.00 C ATOM 453 O SER A 31 -15.755 14.116 -1.309 1.00 0.00 O ATOM 454 CB SER A 31 -18.871 13.076 -2.264 1.00 0.00 C ATOM 455 OG SER A 31 -18.155 13.418 -3.442 1.00 0.00 O ATOM 0 H SER A 31 -17.877 15.560 -2.294 1.00 0.00 H new ATOM 0 HA SER A 31 -18.574 13.568 -0.176 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.884 11.998 -2.105 1.00 0.00 H new ATOM 0 HB3 SER A 31 -19.910 13.402 -2.321 1.00 0.00 H new ATOM 0 HG SER A 31 -18.431 14.308 -3.745 1.00 0.00 H new ATOM 461 N ILE A 32 -16.497 12.049 -0.966 1.00 0.00 N ATOM 462 CA ILE A 32 -15.131 11.446 -0.954 1.00 0.00 C ATOM 463 C ILE A 32 -14.554 11.442 -2.383 1.00 0.00 C ATOM 464 O ILE A 32 -13.433 11.037 -2.617 1.00 0.00 O ATOM 465 CB ILE A 32 -15.285 10.028 -0.388 1.00 0.00 C ATOM 466 CG1 ILE A 32 -13.913 9.327 -0.194 1.00 0.00 C ATOM 467 CG2 ILE A 32 -16.174 9.154 -1.322 1.00 0.00 C ATOM 468 CD1 ILE A 32 -12.991 10.125 0.758 1.00 0.00 C ATOM 0 H ILE A 32 -17.258 11.383 -0.829 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.434 12.015 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.762 10.130 0.587 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.070 8.325 0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.424 9.211 -1.161 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -16.270 8.153 -0.901 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -17.162 9.606 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -15.713 9.091 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.041 9.602 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.813 11.118 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.469 10.219 1.733 1.00 0.00 H new ATOM 480 N GLY A 33 -15.376 11.908 -3.280 1.00 0.00 N ATOM 481 CA GLY A 33 -15.014 11.992 -4.728 1.00 0.00 C ATOM 482 C GLY A 33 -14.739 13.448 -5.119 1.00 0.00 C ATOM 483 O GLY A 33 -14.271 13.718 -6.205 1.00 0.00 O ATOM 0 H GLY A 33 -16.314 12.245 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.133 11.382 -4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.824 11.591 -5.337 1.00 0.00 H new ATOM 487 N ASP A 34 -15.029 14.340 -4.208 1.00 0.00 N ATOM 488 CA ASP A 34 -14.823 15.792 -4.428 1.00 0.00 C ATOM 489 C ASP A 34 -13.632 16.203 -3.597 1.00 0.00 C ATOM 490 O ASP A 34 -12.768 16.909 -4.060 1.00 0.00 O ATOM 491 CB ASP A 34 -16.068 16.525 -3.983 1.00 0.00 C ATOM 492 CG ASP A 34 -17.203 16.394 -5.016 1.00 0.00 C ATOM 493 OD1 ASP A 34 -17.528 15.267 -5.355 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.689 17.441 -5.410 1.00 0.00 O ATOM 0 H ASP A 34 -15.413 14.108 -3.292 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.640 16.026 -5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.401 16.129 -3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.835 17.579 -3.829 1.00 0.00 H new ATOM 499 N VAL A 35 -13.614 15.743 -2.380 1.00 0.00 N ATOM 500 CA VAL A 35 -12.497 16.057 -1.448 1.00 0.00 C ATOM 501 C VAL A 35 -11.236 15.434 -2.062 1.00 0.00 C ATOM 502 O VAL A 35 -10.138 15.927 -1.907 1.00 0.00 O ATOM 503 CB VAL A 35 -12.850 15.424 -0.078 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.659 15.475 0.894 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.038 16.173 0.570 1.00 0.00 C ATOM 0 H VAL A 35 -14.342 15.149 -1.983 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.334 17.124 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.113 14.383 -0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -11.945 15.022 1.843 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.818 14.927 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.369 16.512 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.275 15.717 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.770 17.219 0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.907 16.111 -0.084 1.00 0.00 H new ATOM 515 N ALA A 36 -11.477 14.359 -2.768 1.00 0.00 N ATOM 516 CA ALA A 36 -10.413 13.590 -3.447 1.00 0.00 C ATOM 517 C ALA A 36 -10.057 14.179 -4.797 1.00 0.00 C ATOM 518 O ALA A 36 -8.889 14.328 -5.084 1.00 0.00 O ATOM 519 CB ALA A 36 -10.900 12.173 -3.617 1.00 0.00 C ATOM 0 H ALA A 36 -12.412 13.974 -2.901 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.509 13.624 -2.838 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.132 11.582 -4.117 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.111 11.741 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.809 12.170 -4.219 1.00 0.00 H new ATOM 525 N LYS A 37 -11.035 14.497 -5.603 1.00 0.00 N ATOM 526 CA LYS A 37 -10.684 15.080 -6.927 1.00 0.00 C ATOM 527 C LYS A 37 -10.136 16.502 -6.772 1.00 0.00 C ATOM 528 O LYS A 37 -9.223 16.882 -7.473 1.00 0.00 O ATOM 529 CB LYS A 37 -11.916 15.135 -7.846 1.00 0.00 C ATOM 530 CG LYS A 37 -12.209 13.732 -8.416 1.00 0.00 C ATOM 531 CD LYS A 37 -13.250 13.871 -9.544 1.00 0.00 C ATOM 532 CE LYS A 37 -13.496 12.487 -10.155 1.00 0.00 C ATOM 533 NZ LYS A 37 -14.032 12.639 -11.535 1.00 0.00 N ATOM 0 H LYS A 37 -12.030 14.383 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.922 14.438 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.780 15.499 -7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.742 15.839 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.294 13.280 -8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -12.585 13.075 -7.632 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.180 14.282 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.892 14.563 -10.306 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.567 11.917 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.200 11.927 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.198 11.699 -11.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.928 13.167 -11.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.345 13.157 -12.119 1.00 0.00 H new ATOM 547 N LYS A 38 -10.685 17.249 -5.849 1.00 0.00 N ATOM 548 CA LYS A 38 -10.239 18.645 -5.629 1.00 0.00 C ATOM 549 C LYS A 38 -8.800 18.650 -5.147 1.00 0.00 C ATOM 550 O LYS A 38 -7.948 19.250 -5.767 1.00 0.00 O ATOM 551 CB LYS A 38 -11.156 19.310 -4.569 1.00 0.00 C ATOM 552 CG LYS A 38 -10.896 20.828 -4.478 1.00 0.00 C ATOM 553 CD LYS A 38 -11.436 21.528 -5.751 1.00 0.00 C ATOM 554 CE LYS A 38 -11.218 23.040 -5.635 1.00 0.00 C ATOM 555 NZ LYS A 38 -9.757 23.330 -5.540 1.00 0.00 N ATOM 0 H LYS A 38 -11.436 16.939 -5.232 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.301 19.204 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.200 19.132 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.984 18.850 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.382 21.237 -3.592 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.828 21.018 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.926 21.143 -6.634 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.497 21.311 -5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.644 23.546 -6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.733 23.425 -4.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.586 24.331 -5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.426 23.132 -4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.239 22.730 -6.214 1.00 0.00 H new ATOM 569 N LEU A 39 -8.558 17.964 -4.061 1.00 0.00 N ATOM 570 CA LEU A 39 -7.171 17.935 -3.529 1.00 0.00 C ATOM 571 C LEU A 39 -6.273 17.064 -4.421 1.00 0.00 C ATOM 572 O LEU A 39 -5.090 17.318 -4.518 1.00 0.00 O ATOM 573 CB LEU A 39 -7.348 17.481 -2.035 1.00 0.00 C ATOM 574 CG LEU A 39 -6.881 16.086 -1.655 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.377 16.145 -1.473 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.466 15.712 -0.271 1.00 0.00 C ATOM 0 H LEU A 39 -9.248 17.433 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.644 18.889 -3.543 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.818 18.194 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.406 17.559 -1.785 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.188 15.371 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.005 15.158 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.910 16.463 -2.405 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.134 16.857 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.134 14.712 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.122 16.428 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.555 15.732 -0.319 1.00 0.00 H new ATOM 588 N GLY A 40 -6.821 16.072 -5.073 1.00 0.00 N ATOM 589 CA GLY A 40 -5.952 15.225 -5.954 1.00 0.00 C ATOM 590 C GLY A 40 -5.375 16.094 -7.065 1.00 0.00 C ATOM 591 O GLY A 40 -4.229 15.948 -7.436 1.00 0.00 O ATOM 0 H GLY A 40 -7.807 15.813 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.148 14.777 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.532 14.406 -6.379 1.00 0.00 H new ATOM 595 N GLU A 41 -6.179 16.986 -7.581 1.00 0.00 N ATOM 596 CA GLU A 41 -5.669 17.867 -8.664 1.00 0.00 C ATOM 597 C GLU A 41 -4.578 18.728 -8.045 1.00 0.00 C ATOM 598 O GLU A 41 -3.514 18.854 -8.615 1.00 0.00 O ATOM 599 CB GLU A 41 -6.779 18.754 -9.172 1.00 0.00 C ATOM 600 CG GLU A 41 -7.812 17.916 -9.942 1.00 0.00 C ATOM 601 CD GLU A 41 -9.084 18.755 -10.161 1.00 0.00 C ATOM 602 OE1 GLU A 41 -9.689 19.097 -9.159 1.00 0.00 O ATOM 603 OE2 GLU A 41 -9.382 19.006 -11.316 1.00 0.00 O ATOM 0 H GLU A 41 -7.149 17.139 -7.304 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.290 17.280 -9.500 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.261 19.262 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.369 19.527 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.400 17.601 -10.901 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.051 17.010 -9.385 1.00 0.00 H new ATOM 610 N MET A 42 -4.873 19.288 -6.891 1.00 0.00 N ATOM 611 CA MET A 42 -3.872 20.156 -6.194 1.00 0.00 C ATOM 612 C MET A 42 -2.535 19.441 -6.198 1.00 0.00 C ATOM 613 O MET A 42 -1.548 19.997 -6.617 1.00 0.00 O ATOM 614 CB MET A 42 -4.331 20.398 -4.784 1.00 0.00 C ATOM 615 CG MET A 42 -5.633 21.230 -4.829 1.00 0.00 C ATOM 616 SD MET A 42 -5.501 22.948 -5.384 1.00 0.00 S ATOM 617 CE MET A 42 -6.063 22.734 -7.094 1.00 0.00 C ATOM 0 H MET A 42 -5.763 19.180 -6.405 1.00 0.00 H new ATOM 0 HA MET A 42 -3.772 21.116 -6.701 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.504 19.450 -4.274 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.562 20.927 -4.221 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.338 20.717 -5.483 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.068 21.231 -3.829 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.505 23.405 -7.747 1.00 0.00 H new ATOM 0 HE2 MET A 42 -5.897 21.703 -7.405 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.126 22.966 -7.159 1.00 0.00 H new ATOM 627 N TRP A 43 -2.561 18.231 -5.715 1.00 0.00 N ATOM 628 CA TRP A 43 -1.359 17.360 -5.651 1.00 0.00 C ATOM 629 C TRP A 43 -0.647 17.417 -6.986 1.00 0.00 C ATOM 630 O TRP A 43 0.503 17.801 -7.060 1.00 0.00 O ATOM 631 CB TRP A 43 -1.814 15.949 -5.359 1.00 0.00 C ATOM 632 CG TRP A 43 -0.641 15.001 -5.420 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.466 14.098 -6.404 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.354 14.916 -4.524 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.654 13.508 -6.044 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.228 13.919 -4.924 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.581 15.632 -3.358 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.345 13.635 -4.145 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.694 15.347 -2.575 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.578 14.346 -2.970 1.00 0.00 C ATOM 0 H TRP A 43 -3.406 17.794 -5.346 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.675 17.691 -4.869 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.276 15.905 -4.373 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.573 15.647 -6.081 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.086 13.907 -7.267 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.064 12.762 -6.606 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.106 16.410 -3.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.033 12.861 -4.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.872 15.900 -1.664 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.444 14.121 -2.365 1.00 0.00 H new ATOM 651 N ASN A 44 -1.402 17.038 -7.990 1.00 0.00 N ATOM 652 CA ASN A 44 -0.868 17.018 -9.382 1.00 0.00 C ATOM 653 C ASN A 44 -0.088 18.320 -9.663 1.00 0.00 C ATOM 654 O ASN A 44 0.917 18.288 -10.347 1.00 0.00 O ATOM 655 CB ASN A 44 -2.108 16.767 -10.330 1.00 0.00 C ATOM 656 CG ASN A 44 -2.329 17.797 -11.443 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.441 18.483 -11.430 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.509 17.982 -12.322 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.373 16.740 -7.900 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.143 16.223 -9.555 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.995 15.785 -10.790 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.007 16.729 -9.715 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.641 17.446 -12.331 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.689 18.673 -13.050 1.00 0.00 H new ATOM 665 N ASN A 45 -0.590 19.407 -9.120 1.00 0.00 N ATOM 666 CA ASN A 45 0.056 20.754 -9.287 1.00 0.00 C ATOM 667 C ASN A 45 0.400 21.437 -7.922 1.00 0.00 C ATOM 668 O ASN A 45 0.212 22.630 -7.776 1.00 0.00 O ATOM 669 CB ASN A 45 -0.930 21.620 -10.109 1.00 0.00 C ATOM 670 CG ASN A 45 -2.270 21.755 -9.347 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.334 21.160 -9.803 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -2.359 22.406 -8.324 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.439 19.418 -8.555 1.00 0.00 H new ATOM 0 HA ASN A 45 1.012 20.641 -9.798 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.501 22.606 -10.287 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.100 21.166 -11.085 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.538 22.881 -7.949 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.255 22.477 -7.841 1.00 0.00 H new ATOM 679 N THR A 46 0.909 20.690 -6.960 1.00 0.00 N ATOM 680 CA THR A 46 1.246 21.312 -5.630 1.00 0.00 C ATOM 681 C THR A 46 2.453 22.242 -5.790 1.00 0.00 C ATOM 682 O THR A 46 2.434 23.381 -5.363 1.00 0.00 O ATOM 683 CB THR A 46 1.539 20.160 -4.567 1.00 0.00 C ATOM 684 OG1 THR A 46 1.932 20.864 -3.397 1.00 0.00 O ATOM 685 CG2 THR A 46 2.744 19.227 -4.857 1.00 0.00 C ATOM 0 H THR A 46 1.103 19.692 -7.036 1.00 0.00 H new ATOM 0 HA THR A 46 0.406 21.906 -5.270 1.00 0.00 H new ATOM 0 HB THR A 46 0.650 19.530 -4.536 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.517 20.296 -2.854 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.833 18.489 -4.059 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.589 18.717 -5.807 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.658 19.819 -4.908 1.00 0.00 H new ATOM 693 N ALA A 47 3.457 21.693 -6.410 1.00 0.00 N ATOM 694 CA ALA A 47 4.736 22.399 -6.686 1.00 0.00 C ATOM 695 C ALA A 47 5.557 21.441 -7.537 1.00 0.00 C ATOM 696 O ALA A 47 6.094 21.810 -8.563 1.00 0.00 O ATOM 697 CB ALA A 47 5.505 22.695 -5.376 1.00 0.00 C ATOM 0 H ALA A 47 3.440 20.733 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 47 4.552 23.353 -7.180 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.436 23.212 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.893 23.324 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.728 21.758 -4.865 1.00 0.00 H new ATOM 703 N ALA A 48 5.585 20.237 -7.014 1.00 0.00 N ATOM 704 CA ALA A 48 6.294 19.029 -7.552 1.00 0.00 C ATOM 705 C ALA A 48 7.448 18.911 -6.554 1.00 0.00 C ATOM 706 O ALA A 48 7.820 17.847 -6.097 1.00 0.00 O ATOM 707 CB ALA A 48 6.876 19.230 -8.978 1.00 0.00 C ATOM 0 H ALA A 48 5.091 20.029 -6.146 1.00 0.00 H new ATOM 0 HA ALA A 48 5.634 18.167 -7.645 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.374 18.315 -9.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.068 19.467 -9.671 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.595 20.049 -8.965 1.00 0.00 H new ATOM 713 N ASP A 49 7.960 20.079 -6.247 1.00 0.00 N ATOM 714 CA ASP A 49 9.092 20.247 -5.299 1.00 0.00 C ATOM 715 C ASP A 49 8.536 20.229 -3.856 1.00 0.00 C ATOM 716 O ASP A 49 9.273 20.375 -2.900 1.00 0.00 O ATOM 717 CB ASP A 49 9.785 21.591 -5.599 1.00 0.00 C ATOM 718 CG ASP A 49 10.174 21.687 -7.092 1.00 0.00 C ATOM 719 OD1 ASP A 49 9.265 21.779 -7.903 1.00 0.00 O ATOM 720 OD2 ASP A 49 11.366 21.662 -7.343 1.00 0.00 O ATOM 0 H ASP A 49 7.618 20.958 -6.637 1.00 0.00 H new ATOM 0 HA ASP A 49 9.817 19.440 -5.408 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.120 22.414 -5.338 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.676 21.692 -4.979 1.00 0.00 H new ATOM 725 N ASP A 50 7.239 20.048 -3.766 1.00 0.00 N ATOM 726 CA ASP A 50 6.509 19.997 -2.462 1.00 0.00 C ATOM 727 C ASP A 50 5.959 18.569 -2.299 1.00 0.00 C ATOM 728 O ASP A 50 5.457 18.214 -1.251 1.00 0.00 O ATOM 729 CB ASP A 50 5.345 21.001 -2.470 1.00 0.00 C ATOM 730 CG ASP A 50 4.611 20.953 -1.116 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.230 21.355 -0.144 1.00 0.00 O ATOM 732 OD2 ASP A 50 3.473 20.512 -1.124 1.00 0.00 O ATOM 0 H ASP A 50 6.635 19.929 -4.579 1.00 0.00 H new ATOM 0 HA ASP A 50 7.177 20.254 -1.640 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.721 22.007 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.653 20.765 -3.279 1.00 0.00 H new ATOM 737 N LYS A 51 6.075 17.784 -3.346 1.00 0.00 N ATOM 738 CA LYS A 51 5.584 16.376 -3.300 1.00 0.00 C ATOM 739 C LYS A 51 6.776 15.648 -2.726 1.00 0.00 C ATOM 740 O LYS A 51 6.624 14.929 -1.767 1.00 0.00 O ATOM 741 CB LYS A 51 5.331 15.749 -4.674 1.00 0.00 C ATOM 742 CG LYS A 51 4.175 16.394 -5.409 1.00 0.00 C ATOM 743 CD LYS A 51 3.985 15.590 -6.698 1.00 0.00 C ATOM 744 CE LYS A 51 2.823 16.162 -7.495 1.00 0.00 C ATOM 745 NZ LYS A 51 2.703 15.464 -8.807 1.00 0.00 N ATOM 0 H LYS A 51 6.492 18.064 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 51 4.640 16.324 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.234 15.835 -5.279 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.129 14.685 -4.551 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.270 16.376 -4.802 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.390 17.439 -5.631 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.897 15.621 -7.294 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.795 14.543 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.897 16.052 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.974 17.230 -7.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.009 15.960 -9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.627 15.459 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.388 14.485 -8.652 1.00 0.00 H new ATOM 759 N GLN A 52 7.908 15.864 -3.356 1.00 0.00 N ATOM 760 CA GLN A 52 9.212 15.251 -2.954 1.00 0.00 C ATOM 761 C GLN A 52 9.262 14.781 -1.480 1.00 0.00 C ATOM 762 O GLN A 52 9.539 13.628 -1.265 1.00 0.00 O ATOM 763 CB GLN A 52 10.336 16.298 -3.250 1.00 0.00 C ATOM 764 CG GLN A 52 11.570 15.611 -3.879 1.00 0.00 C ATOM 765 CD GLN A 52 11.271 15.055 -5.292 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.092 15.206 -5.834 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.129 14.464 -5.919 1.00 0.00 N flip ATOM 0 H GLN A 52 7.980 16.471 -4.172 1.00 0.00 H new ATOM 0 HA GLN A 52 9.354 14.340 -3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.957 17.065 -3.925 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.624 16.800 -2.327 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.391 16.325 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 52 11.900 14.798 -3.233 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.057 14.334 -5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.921 14.098 -6.848 1.00 0.00 H new ATOM 776 N PRO A 53 9.003 15.631 -0.506 1.00 0.00 N ATOM 777 CA PRO A 53 8.860 15.212 0.926 1.00 0.00 C ATOM 778 C PRO A 53 7.929 14.004 1.169 1.00 0.00 C ATOM 779 O PRO A 53 8.330 13.003 1.734 1.00 0.00 O ATOM 780 CB PRO A 53 8.372 16.486 1.639 1.00 0.00 C ATOM 781 CG PRO A 53 7.773 17.325 0.487 1.00 0.00 C ATOM 782 CD PRO A 53 8.789 17.101 -0.635 1.00 0.00 C ATOM 0 HA PRO A 53 9.809 14.838 1.311 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.628 16.261 2.403 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.190 17.009 2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.776 16.982 0.209 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.685 18.378 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.397 17.380 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.707 17.670 -0.485 1.00 0.00 H new ATOM 790 N TYR A 54 6.709 14.143 0.717 1.00 0.00 N ATOM 791 CA TYR A 54 5.685 13.057 0.881 1.00 0.00 C ATOM 792 C TYR A 54 6.099 11.853 0.039 1.00 0.00 C ATOM 793 O TYR A 54 6.130 10.724 0.490 1.00 0.00 O ATOM 794 CB TYR A 54 4.315 13.549 0.402 1.00 0.00 C ATOM 795 CG TYR A 54 3.778 14.694 1.269 1.00 0.00 C ATOM 796 CD1 TYR A 54 3.489 14.491 2.605 1.00 0.00 C ATOM 797 CD2 TYR A 54 3.562 15.941 0.724 1.00 0.00 C ATOM 798 CE1 TYR A 54 2.996 15.513 3.380 1.00 0.00 C ATOM 799 CE2 TYR A 54 3.068 16.967 1.499 1.00 0.00 C ATOM 800 CZ TYR A 54 2.778 16.763 2.836 1.00 0.00 C ATOM 801 OH TYR A 54 2.280 17.792 3.612 1.00 0.00 O ATOM 0 H TYR A 54 6.370 14.975 0.233 1.00 0.00 H new ATOM 0 HA TYR A 54 5.621 12.781 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.392 13.884 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.607 12.720 0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.652 13.518 3.045 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.782 16.115 -0.319 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.777 15.337 4.423 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.906 17.940 1.059 1.00 0.00 H new ATOM 0 HH TYR A 54 1.395 17.546 3.953 1.00 0.00 H new ATOM 811 N GLU A 55 6.401 12.162 -1.192 1.00 0.00 N ATOM 812 CA GLU A 55 6.834 11.128 -2.169 1.00 0.00 C ATOM 813 C GLU A 55 7.982 10.271 -1.612 1.00 0.00 C ATOM 814 O GLU A 55 7.948 9.062 -1.695 1.00 0.00 O ATOM 815 CB GLU A 55 7.236 11.878 -3.458 1.00 0.00 C ATOM 816 CG GLU A 55 6.326 11.435 -4.621 1.00 0.00 C ATOM 817 CD GLU A 55 6.675 12.216 -5.904 1.00 0.00 C ATOM 818 OE1 GLU A 55 7.812 12.098 -6.331 1.00 0.00 O ATOM 819 OE2 GLU A 55 5.782 12.892 -6.390 1.00 0.00 O ATOM 0 H GLU A 55 6.364 13.109 -1.568 1.00 0.00 H new ATOM 0 HA GLU A 55 6.027 10.425 -2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.151 12.954 -3.306 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.279 11.672 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.443 10.365 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.282 11.603 -4.358 1.00 0.00 H new ATOM 826 N LYS A 56 8.969 10.932 -1.065 1.00 0.00 N ATOM 827 CA LYS A 56 10.163 10.261 -0.465 1.00 0.00 C ATOM 828 C LYS A 56 9.709 9.085 0.405 1.00 0.00 C ATOM 829 O LYS A 56 10.306 8.027 0.382 1.00 0.00 O ATOM 830 CB LYS A 56 10.945 11.277 0.399 1.00 0.00 C ATOM 831 CG LYS A 56 12.371 10.742 0.684 1.00 0.00 C ATOM 832 CD LYS A 56 13.096 11.623 1.730 1.00 0.00 C ATOM 833 CE LYS A 56 12.513 11.371 3.135 1.00 0.00 C ATOM 834 NZ LYS A 56 13.313 12.098 4.160 1.00 0.00 N ATOM 0 H LYS A 56 8.997 11.950 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 56 10.809 9.890 -1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.003 12.236 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.418 11.451 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.312 9.716 1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.947 10.721 -0.241 1.00 0.00 H new ATOM 0 HD2 LYS A 56 14.163 11.401 1.726 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.988 12.675 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.475 11.702 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.515 10.303 3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 12.912 11.921 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.297 11.763 4.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 13.289 13.118 3.959 1.00 0.00 H new ATOM 848 N LYS A 57 8.645 9.310 1.143 1.00 0.00 N ATOM 849 CA LYS A 57 8.135 8.221 2.026 1.00 0.00 C ATOM 850 C LYS A 57 7.573 7.132 1.141 1.00 0.00 C ATOM 851 O LYS A 57 8.016 6.008 1.225 1.00 0.00 O ATOM 852 CB LYS A 57 7.006 8.706 2.956 1.00 0.00 C ATOM 853 CG LYS A 57 7.570 9.561 4.096 1.00 0.00 C ATOM 854 CD LYS A 57 6.506 9.599 5.211 1.00 0.00 C ATOM 855 CE LYS A 57 7.068 10.295 6.453 1.00 0.00 C ATOM 856 NZ LYS A 57 6.105 10.144 7.581 1.00 0.00 N ATOM 0 H LYS A 57 8.120 10.184 1.170 1.00 0.00 H new ATOM 0 HA LYS A 57 8.960 7.870 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.282 9.286 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.474 7.848 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.502 9.137 4.469 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.795 10.568 3.746 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.619 10.126 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.196 8.585 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.031 9.862 6.722 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.240 11.351 6.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.484 10.616 8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 5.196 10.577 7.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.963 9.134 7.783 1.00 0.00 H new ATOM 870 N ALA A 58 6.615 7.488 0.321 1.00 0.00 N ATOM 871 CA ALA A 58 5.988 6.487 -0.604 1.00 0.00 C ATOM 872 C ALA A 58 7.057 5.539 -1.166 1.00 0.00 C ATOM 873 O ALA A 58 6.916 4.336 -1.112 1.00 0.00 O ATOM 874 CB ALA A 58 5.292 7.224 -1.758 1.00 0.00 C ATOM 0 H ALA A 58 6.237 8.433 0.251 1.00 0.00 H new ATOM 0 HA ALA A 58 5.256 5.900 -0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.836 6.498 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.521 7.882 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.025 7.816 -2.306 1.00 0.00 H new ATOM 880 N ALA A 59 8.103 6.140 -1.677 1.00 0.00 N ATOM 881 CA ALA A 59 9.235 5.366 -2.263 1.00 0.00 C ATOM 882 C ALA A 59 9.856 4.447 -1.198 1.00 0.00 C ATOM 883 O ALA A 59 9.846 3.244 -1.351 1.00 0.00 O ATOM 884 CB ALA A 59 10.294 6.349 -2.791 1.00 0.00 C ATOM 0 H ALA A 59 8.220 7.153 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 59 8.867 4.748 -3.082 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.126 5.791 -3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.850 6.986 -3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.658 6.967 -1.970 1.00 0.00 H new ATOM 890 N LYS A 60 10.368 5.041 -0.147 1.00 0.00 N ATOM 891 CA LYS A 60 11.009 4.276 0.968 1.00 0.00 C ATOM 892 C LYS A 60 10.161 3.080 1.431 1.00 0.00 C ATOM 893 O LYS A 60 10.677 2.008 1.671 1.00 0.00 O ATOM 894 CB LYS A 60 11.256 5.233 2.159 1.00 0.00 C ATOM 895 CG LYS A 60 12.392 4.634 3.026 1.00 0.00 C ATOM 896 CD LYS A 60 12.575 5.431 4.333 1.00 0.00 C ATOM 897 CE LYS A 60 13.817 4.891 5.071 1.00 0.00 C ATOM 898 NZ LYS A 60 13.953 5.541 6.406 1.00 0.00 N ATOM 0 H LYS A 60 10.368 6.052 -0.013 1.00 0.00 H new ATOM 0 HA LYS A 60 11.950 3.873 0.594 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.533 6.224 1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.347 5.350 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.165 3.594 3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.324 4.637 2.461 1.00 0.00 H new ATOM 0 HD2 LYS A 60 12.697 6.492 4.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 11.690 5.334 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.735 3.811 5.192 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.711 5.078 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.794 5.167 6.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.053 6.569 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 13.107 5.341 6.977 1.00 0.00 H new ATOM 912 N LEU A 61 8.872 3.286 1.544 1.00 0.00 N ATOM 913 CA LEU A 61 7.990 2.169 1.992 1.00 0.00 C ATOM 914 C LEU A 61 7.821 1.160 0.862 1.00 0.00 C ATOM 915 O LEU A 61 8.043 -0.009 1.099 1.00 0.00 O ATOM 916 CB LEU A 61 6.655 2.788 2.437 1.00 0.00 C ATOM 917 CG LEU A 61 6.975 3.898 3.491 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.672 4.493 4.006 1.00 0.00 C ATOM 919 CD2 LEU A 61 7.830 3.345 4.666 1.00 0.00 C ATOM 0 H LEU A 61 8.399 4.168 1.348 1.00 0.00 H new ATOM 0 HA LEU A 61 8.423 1.623 2.831 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.126 3.212 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.005 2.027 2.868 1.00 0.00 H new ATOM 0 HG LEU A 61 7.564 4.676 3.006 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.891 5.267 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.117 4.928 3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.073 3.710 4.471 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.032 4.146 5.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.286 2.544 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.772 2.957 4.279 1.00 0.00 H new ATOM 931 N LYS A 62 7.434 1.600 -0.314 1.00 0.00 N ATOM 932 CA LYS A 62 7.267 0.659 -1.476 1.00 0.00 C ATOM 933 C LYS A 62 8.502 -0.262 -1.493 1.00 0.00 C ATOM 934 O LYS A 62 8.392 -1.460 -1.609 1.00 0.00 O ATOM 935 CB LYS A 62 7.177 1.483 -2.778 1.00 0.00 C ATOM 936 CG LYS A 62 6.734 0.554 -3.933 1.00 0.00 C ATOM 937 CD LYS A 62 6.651 1.379 -5.231 1.00 0.00 C ATOM 938 CE LYS A 62 6.023 0.534 -6.352 1.00 0.00 C ATOM 939 NZ LYS A 62 5.924 1.356 -7.592 1.00 0.00 N ATOM 0 H LYS A 62 7.225 2.576 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 62 6.359 0.062 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.465 2.300 -2.658 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.143 1.933 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.443 -0.265 -4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.766 0.107 -3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.055 2.276 -5.064 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.647 1.708 -5.527 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.629 -0.353 -6.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.034 0.188 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.500 0.787 -8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.329 2.189 -7.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.874 1.665 -7.880 1.00 0.00 H new ATOM 953 N GLU A 63 9.644 0.361 -1.371 1.00 0.00 N ATOM 954 CA GLU A 63 10.973 -0.316 -1.350 1.00 0.00 C ATOM 955 C GLU A 63 10.963 -1.430 -0.291 1.00 0.00 C ATOM 956 O GLU A 63 11.242 -2.576 -0.593 1.00 0.00 O ATOM 957 CB GLU A 63 12.023 0.788 -1.048 1.00 0.00 C ATOM 958 CG GLU A 63 13.431 0.255 -0.682 1.00 0.00 C ATOM 959 CD GLU A 63 14.302 1.459 -0.250 1.00 0.00 C ATOM 960 OE1 GLU A 63 13.945 2.065 0.753 1.00 0.00 O ATOM 961 OE2 GLU A 63 15.274 1.707 -0.944 1.00 0.00 O ATOM 0 H GLU A 63 9.709 1.375 -1.280 1.00 0.00 H new ATOM 0 HA GLU A 63 11.215 -0.796 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.110 1.437 -1.919 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.657 1.404 -0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.364 -0.475 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.880 -0.253 -1.536 1.00 0.00 H new ATOM 968 N LYS A 64 10.631 -1.060 0.926 1.00 0.00 N ATOM 969 CA LYS A 64 10.592 -2.066 2.035 1.00 0.00 C ATOM 970 C LYS A 64 9.755 -3.273 1.593 1.00 0.00 C ATOM 971 O LYS A 64 10.187 -4.411 1.596 1.00 0.00 O ATOM 972 CB LYS A 64 9.949 -1.435 3.293 1.00 0.00 C ATOM 973 CG LYS A 64 10.004 -2.452 4.464 1.00 0.00 C ATOM 974 CD LYS A 64 8.836 -2.225 5.452 1.00 0.00 C ATOM 975 CE LYS A 64 8.889 -0.840 6.114 1.00 0.00 C ATOM 976 NZ LYS A 64 10.142 -0.690 6.907 1.00 0.00 N ATOM 0 H LYS A 64 10.386 -0.108 1.197 1.00 0.00 H new ATOM 0 HA LYS A 64 11.608 -2.384 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 64 10.477 -0.521 3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.916 -1.157 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.960 -3.468 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.954 -2.355 4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.890 -2.336 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.862 -2.995 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.839 -0.063 5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.023 -0.706 6.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.074 0.157 7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.276 -1.529 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.952 -0.593 6.262 1.00 0.00 H new ATOM 990 N TYR A 65 8.555 -2.934 1.211 1.00 0.00 N ATOM 991 CA TYR A 65 7.551 -3.914 0.739 1.00 0.00 C ATOM 992 C TYR A 65 8.184 -4.855 -0.273 1.00 0.00 C ATOM 993 O TYR A 65 8.286 -6.039 -0.042 1.00 0.00 O ATOM 994 CB TYR A 65 6.368 -3.037 0.193 1.00 0.00 C ATOM 995 CG TYR A 65 5.596 -3.677 -0.971 1.00 0.00 C ATOM 996 CD1 TYR A 65 5.061 -4.946 -0.851 1.00 0.00 C ATOM 997 CD2 TYR A 65 5.422 -3.000 -2.148 1.00 0.00 C ATOM 998 CE1 TYR A 65 4.367 -5.519 -1.896 1.00 0.00 C ATOM 999 CE2 TYR A 65 4.731 -3.571 -3.194 1.00 0.00 C ATOM 1000 CZ TYR A 65 4.196 -4.831 -3.077 1.00 0.00 C ATOM 1001 OH TYR A 65 3.508 -5.393 -4.134 1.00 0.00 O ATOM 0 H TYR A 65 8.221 -1.970 1.209 1.00 0.00 H new ATOM 0 HA TYR A 65 7.171 -4.583 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.673 -2.836 1.008 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.764 -2.075 -0.133 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.188 -5.494 0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 65 5.831 -2.007 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.956 -6.512 -1.788 1.00 0.00 H new ATOM 0 HE2 TYR A 65 4.608 -3.022 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 65 3.487 -4.762 -4.883 1.00 0.00 H new ATOM 1011 N GLU A 66 8.599 -4.289 -1.363 1.00 0.00 N ATOM 1012 CA GLU A 66 9.244 -5.041 -2.467 1.00 0.00 C ATOM 1013 C GLU A 66 10.279 -6.088 -2.028 1.00 0.00 C ATOM 1014 O GLU A 66 10.465 -7.075 -2.708 1.00 0.00 O ATOM 1015 CB GLU A 66 9.948 -4.072 -3.380 1.00 0.00 C ATOM 1016 CG GLU A 66 8.962 -3.040 -3.985 1.00 0.00 C ATOM 1017 CD GLU A 66 8.677 -3.353 -5.460 1.00 0.00 C ATOM 1018 OE1 GLU A 66 9.613 -3.231 -6.234 1.00 0.00 O ATOM 1019 OE2 GLU A 66 7.539 -3.697 -5.734 1.00 0.00 O ATOM 0 H GLU A 66 8.513 -3.288 -1.542 1.00 0.00 H new ATOM 0 HA GLU A 66 8.432 -5.580 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.728 -3.550 -2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.440 -4.620 -4.183 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.029 -3.048 -3.421 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.379 -2.037 -3.896 1.00 0.00 H new ATOM 1026 N LYS A 67 10.922 -5.847 -0.914 1.00 0.00 N ATOM 1027 CA LYS A 67 11.953 -6.810 -0.414 1.00 0.00 C ATOM 1028 C LYS A 67 11.408 -7.894 0.495 1.00 0.00 C ATOM 1029 O LYS A 67 11.900 -9.005 0.517 1.00 0.00 O ATOM 1030 CB LYS A 67 13.049 -6.020 0.340 1.00 0.00 C ATOM 1031 CG LYS A 67 14.170 -5.636 -0.633 1.00 0.00 C ATOM 1032 CD LYS A 67 13.691 -4.639 -1.717 1.00 0.00 C ATOM 1033 CE LYS A 67 14.805 -4.455 -2.766 1.00 0.00 C ATOM 1034 NZ LYS A 67 16.062 -3.958 -2.135 1.00 0.00 N ATOM 0 H LYS A 67 10.778 -5.025 -0.328 1.00 0.00 H new ATOM 0 HA LYS A 67 12.349 -7.321 -1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.621 -5.124 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.451 -6.623 1.154 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.996 -5.194 -0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 67 14.555 -6.535 -1.114 1.00 0.00 H new ATOM 0 HD2 LYS A 67 12.784 -5.010 -2.194 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.442 -3.680 -1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.997 -5.404 -3.267 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.476 -3.751 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.718 -3.635 -2.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.841 -3.166 -1.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.505 -4.726 -1.591 1.00 0.00 H new ATOM 1048 N ASP A 68 10.395 -7.521 1.207 1.00 0.00 N ATOM 1049 CA ASP A 68 9.731 -8.443 2.156 1.00 0.00 C ATOM 1050 C ASP A 68 8.662 -9.228 1.439 1.00 0.00 C ATOM 1051 O ASP A 68 8.203 -10.244 1.924 1.00 0.00 O ATOM 1052 CB ASP A 68 9.112 -7.635 3.264 1.00 0.00 C ATOM 1053 CG ASP A 68 10.227 -7.037 4.142 1.00 0.00 C ATOM 1054 OD1 ASP A 68 10.888 -7.822 4.802 1.00 0.00 O ATOM 1055 OD2 ASP A 68 10.359 -5.826 4.100 1.00 0.00 O ATOM 0 H ASP A 68 9.986 -6.587 1.171 1.00 0.00 H new ATOM 0 HA ASP A 68 10.462 -9.138 2.569 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.495 -6.839 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.457 -8.264 3.866 1.00 0.00 H new ATOM 1060 N ILE A 69 8.302 -8.723 0.292 1.00 0.00 N ATOM 1061 CA ILE A 69 7.260 -9.409 -0.506 1.00 0.00 C ATOM 1062 C ILE A 69 8.096 -10.390 -1.337 1.00 0.00 C ATOM 1063 O ILE A 69 7.715 -11.515 -1.576 1.00 0.00 O ATOM 1064 CB ILE A 69 6.530 -8.341 -1.357 1.00 0.00 C ATOM 1065 CG1 ILE A 69 5.116 -8.788 -1.773 1.00 0.00 C ATOM 1066 CG2 ILE A 69 7.326 -7.930 -2.592 1.00 0.00 C ATOM 1067 CD1 ILE A 69 5.002 -10.284 -2.075 1.00 0.00 C ATOM 0 H ILE A 69 8.683 -7.872 -0.121 1.00 0.00 H new ATOM 0 HA ILE A 69 6.478 -9.926 0.050 1.00 0.00 H new ATOM 0 HB ILE A 69 6.438 -7.470 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.416 -8.534 -0.977 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.813 -8.225 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.768 -7.180 -3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 69 8.285 -7.514 -2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 69 7.494 -8.802 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.977 -10.520 -2.360 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.675 -10.543 -2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.273 -10.856 -1.187 1.00 0.00 H new ATOM 1079 N ALA A 70 9.246 -9.914 -1.743 1.00 0.00 N ATOM 1080 CA ALA A 70 10.178 -10.747 -2.554 1.00 0.00 C ATOM 1081 C ALA A 70 10.675 -11.879 -1.649 1.00 0.00 C ATOM 1082 O ALA A 70 11.044 -12.936 -2.120 1.00 0.00 O ATOM 1083 CB ALA A 70 11.369 -9.912 -3.021 1.00 0.00 C ATOM 0 H ALA A 70 9.581 -8.971 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 70 9.669 -11.137 -3.436 1.00 0.00 H new ATOM 0 HB1 ALA A 70 12.041 -10.535 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 70 11.014 -9.081 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 70 11.903 -9.524 -2.154 1.00 0.00 H new ATOM 1089 N ALA A 71 10.651 -11.600 -0.369 1.00 0.00 N ATOM 1090 CA ALA A 71 11.099 -12.582 0.662 1.00 0.00 C ATOM 1091 C ALA A 71 9.894 -13.448 1.032 1.00 0.00 C ATOM 1092 O ALA A 71 10.035 -14.590 1.424 1.00 0.00 O ATOM 1093 CB ALA A 71 11.609 -11.836 1.899 1.00 0.00 C ATOM 0 H ALA A 71 10.331 -10.709 0.012 1.00 0.00 H new ATOM 0 HA ALA A 71 11.909 -13.202 0.277 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.935 -12.556 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.448 -11.198 1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.808 -11.222 2.310 1.00 0.00 H new ATOM 1099 N TYR A 72 8.730 -12.867 0.901 1.00 0.00 N ATOM 1100 CA TYR A 72 7.470 -13.609 1.222 1.00 0.00 C ATOM 1101 C TYR A 72 7.192 -14.705 0.173 1.00 0.00 C ATOM 1102 O TYR A 72 6.884 -15.835 0.498 1.00 0.00 O ATOM 1103 CB TYR A 72 6.300 -12.633 1.228 1.00 0.00 C ATOM 1104 CG TYR A 72 4.965 -13.407 1.254 1.00 0.00 C ATOM 1105 CD1 TYR A 72 4.641 -14.175 2.357 1.00 0.00 C ATOM 1106 CD2 TYR A 72 4.068 -13.336 0.205 1.00 0.00 C ATOM 1107 CE1 TYR A 72 3.448 -14.859 2.414 1.00 0.00 C ATOM 1108 CE2 TYR A 72 2.872 -14.021 0.263 1.00 0.00 C ATOM 1109 CZ TYR A 72 2.553 -14.788 1.364 1.00 0.00 C ATOM 1110 OH TYR A 72 1.356 -15.473 1.412 1.00 0.00 O ATOM 0 H TYR A 72 8.595 -11.907 0.584 1.00 0.00 H new ATOM 0 HA TYR A 72 7.587 -14.076 2.200 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.367 -11.978 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.343 -11.996 0.345 1.00 0.00 H new ATOM 0 HD1 TYR A 72 5.333 -14.239 3.184 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.305 -12.741 -0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.210 -15.454 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.178 -13.956 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 72 0.851 -15.307 0.589 1.00 0.00 H new ATOM 1120 N ARG A 73 7.315 -14.297 -1.062 1.00 0.00 N ATOM 1121 CA ARG A 73 7.082 -15.199 -2.220 1.00 0.00 C ATOM 1122 C ARG A 73 8.198 -16.232 -2.261 1.00 0.00 C ATOM 1123 O ARG A 73 7.971 -17.379 -2.594 1.00 0.00 O ATOM 1124 CB ARG A 73 7.041 -14.304 -3.522 1.00 0.00 C ATOM 1125 CG ARG A 73 8.442 -14.162 -4.199 1.00 0.00 C ATOM 1126 CD ARG A 73 8.492 -13.049 -5.272 1.00 0.00 C ATOM 1127 NE ARG A 73 7.269 -13.088 -6.131 1.00 0.00 N ATOM 1128 CZ ARG A 73 6.555 -11.999 -6.273 1.00 0.00 C ATOM 1129 NH1 ARG A 73 6.237 -11.303 -5.215 1.00 0.00 N ATOM 1130 NH2 ARG A 73 6.186 -11.643 -7.471 1.00 0.00 N ATOM 0 H ARG A 73 7.576 -13.345 -1.320 1.00 0.00 H new ATOM 0 HA ARG A 73 6.138 -15.739 -2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.340 -14.738 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.663 -13.314 -3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.189 -13.953 -3.433 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.714 -15.112 -4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.573 -12.075 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 73 9.381 -13.173 -5.890 1.00 0.00 H new ATOM 0 HE ARG A 73 6.994 -13.951 -6.600 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.544 -11.609 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.681 -10.453 -5.312 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.454 -12.209 -8.276 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.630 -10.798 -7.603 1.00 0.00 H new ATOM 1144 N ALA A 74 9.364 -15.745 -1.918 1.00 0.00 N ATOM 1145 CA ALA A 74 10.609 -16.576 -1.883 1.00 0.00 C ATOM 1146 C ALA A 74 10.347 -18.024 -1.455 1.00 0.00 C ATOM 1147 O ALA A 74 10.826 -18.948 -2.085 1.00 0.00 O ATOM 1148 CB ALA A 74 11.599 -15.951 -0.912 1.00 0.00 C ATOM 0 H ALA A 74 9.509 -14.771 -1.651 1.00 0.00 H new ATOM 0 HA ALA A 74 11.008 -16.600 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 74 12.508 -16.552 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.842 -14.941 -1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 74 11.157 -15.912 0.084 1.00 0.00 H new ATOM 1154 N LYS A 75 9.580 -18.142 -0.395 1.00 0.00 N ATOM 1155 CA LYS A 75 9.213 -19.474 0.187 1.00 0.00 C ATOM 1156 C LYS A 75 8.428 -19.260 1.497 1.00 0.00 C ATOM 1157 O LYS A 75 8.917 -19.511 2.583 1.00 0.00 O ATOM 1158 CB LYS A 75 10.501 -20.306 0.489 1.00 0.00 C ATOM 1159 CG LYS A 75 10.106 -21.741 0.892 1.00 0.00 C ATOM 1160 CD LYS A 75 11.380 -22.588 1.104 1.00 0.00 C ATOM 1161 CE LYS A 75 11.168 -23.977 0.476 1.00 0.00 C ATOM 1162 NZ LYS A 75 10.986 -23.838 -1.000 1.00 0.00 N ATOM 0 H LYS A 75 9.182 -17.346 0.104 1.00 0.00 H new ATOM 0 HA LYS A 75 8.599 -20.017 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.146 -20.328 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.070 -19.836 1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.513 -21.723 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.484 -22.189 0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.239 -22.096 0.648 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.595 -22.685 2.168 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.024 -24.617 0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.294 -24.457 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.386 -24.670 -1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.972 -23.767 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.473 -22.981 -1.331 1.00 0.00 H new ATOM 1176 N GLY A 76 7.218 -18.791 1.351 1.00 0.00 N ATOM 1177 CA GLY A 76 6.341 -18.538 2.526 1.00 0.00 C ATOM 1178 C GLY A 76 5.098 -19.300 2.136 1.00 0.00 C ATOM 1179 O GLY A 76 4.723 -20.286 2.733 1.00 0.00 O ATOM 0 H GLY A 76 6.795 -18.569 0.450 1.00 0.00 H new ATOM 0 HA2 GLY A 76 6.778 -18.910 3.453 1.00 0.00 H new ATOM 0 HA3 GLY A 76 6.144 -17.476 2.671 1.00 0.00 H new ATOM 1183 N LYS A 77 4.517 -18.758 1.103 1.00 0.00 N ATOM 1184 CA LYS A 77 3.275 -19.282 0.468 1.00 0.00 C ATOM 1185 C LYS A 77 3.075 -20.820 0.544 1.00 0.00 C ATOM 1186 O LYS A 77 2.064 -21.250 1.072 1.00 0.00 O ATOM 1187 CB LYS A 77 3.340 -18.727 -0.975 1.00 0.00 C ATOM 1188 CG LYS A 77 2.624 -19.571 -2.037 1.00 0.00 C ATOM 1189 CD LYS A 77 1.104 -19.637 -1.779 1.00 0.00 C ATOM 1190 CE LYS A 77 0.433 -20.352 -2.969 1.00 0.00 C ATOM 1191 NZ LYS A 77 -1.040 -20.440 -2.758 1.00 0.00 N ATOM 0 H LYS A 77 4.878 -17.920 0.647 1.00 0.00 H new ATOM 0 HA LYS A 77 2.390 -18.950 1.010 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.910 -17.725 -0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.387 -18.626 -1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.808 -19.147 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.037 -20.580 -2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.901 -20.173 -0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.696 -18.633 -1.662 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.643 -19.811 -3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.851 -21.352 -3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.478 -20.924 -3.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.235 -20.975 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.436 -19.482 -2.671 1.00 0.00 H new ATOM 1205 N PRO A 78 4.004 -21.609 0.040 1.00 0.00 N ATOM 1206 CA PRO A 78 3.836 -23.092 -0.066 1.00 0.00 C ATOM 1207 C PRO A 78 3.888 -23.744 1.321 1.00 0.00 C ATOM 1208 O PRO A 78 3.347 -24.808 1.555 1.00 0.00 O ATOM 1209 CB PRO A 78 4.991 -23.550 -0.987 1.00 0.00 C ATOM 1210 CG PRO A 78 5.493 -22.236 -1.642 1.00 0.00 C ATOM 1211 CD PRO A 78 5.334 -21.209 -0.517 1.00 0.00 C ATOM 0 HA PRO A 78 2.870 -23.384 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 78 5.782 -24.041 -0.421 1.00 0.00 H new ATOM 0 HB3 PRO A 78 4.646 -24.263 -1.736 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.529 -22.319 -1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.902 -21.970 -2.518 1.00 0.00 H new ATOM 0 HD2 PRO A 78 6.131 -21.280 0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.335 -20.184 -0.889 1.00 0.00 H new ATOM 1219 N ASP A 79 4.567 -23.033 2.178 1.00 0.00 N ATOM 1220 CA ASP A 79 4.767 -23.452 3.595 1.00 0.00 C ATOM 1221 C ASP A 79 4.305 -22.333 4.540 1.00 0.00 C ATOM 1222 O ASP A 79 5.101 -21.674 5.183 1.00 0.00 O ATOM 1223 CB ASP A 79 6.278 -23.781 3.789 1.00 0.00 C ATOM 1224 CG ASP A 79 7.184 -22.576 3.436 1.00 0.00 C ATOM 1225 OD1 ASP A 79 7.167 -22.202 2.274 1.00 0.00 O ATOM 1226 OD2 ASP A 79 7.840 -22.097 4.346 1.00 0.00 O ATOM 0 H ASP A 79 5.009 -22.144 1.944 1.00 0.00 H new ATOM 0 HA ASP A 79 4.175 -24.337 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.455 -24.077 4.823 1.00 0.00 H new ATOM 0 HB3 ASP A 79 6.547 -24.632 3.164 1.00 0.00 H new ATOM 1231 N ALA A 80 3.009 -22.158 4.587 1.00 0.00 N ATOM 1232 CA ALA A 80 2.411 -21.102 5.465 1.00 0.00 C ATOM 1233 C ALA A 80 1.834 -21.712 6.750 1.00 0.00 C ATOM 1234 O ALA A 80 2.149 -21.261 7.835 1.00 0.00 O ATOM 1235 CB ALA A 80 1.304 -20.394 4.677 1.00 0.00 C ATOM 0 H ALA A 80 2.334 -22.704 4.052 1.00 0.00 H new ATOM 0 HA ALA A 80 3.186 -20.393 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.854 -19.620 5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.728 -19.940 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.541 -21.118 4.390 1.00 0.00 H new ATOM 1241 N ALA A 81 1.010 -22.717 6.590 1.00 0.00 N ATOM 1242 CA ALA A 81 0.378 -23.399 7.768 1.00 0.00 C ATOM 1243 C ALA A 81 0.821 -24.874 7.871 1.00 0.00 C ATOM 1244 O ALA A 81 1.513 -25.316 6.967 1.00 0.00 O ATOM 1245 CB ALA A 81 -1.144 -23.304 7.601 1.00 0.00 C ATOM 1246 OXT ALA A 81 0.439 -25.482 8.858 1.00 0.00 O ATOM 0 H ALA A 81 0.743 -23.101 5.683 1.00 0.00 H new ATOM 0 HA ALA A 81 0.694 -22.910 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.634 -23.792 8.444 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.441 -22.256 7.566 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.440 -23.796 6.675 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -9.041 12.101 2.217 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.893 11.124 2.502 1.00 0.00 C HETATM 1255 O1 BME A 82 -9.655 12.298 3.483 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.880 10.609 1.094 1.00 0.00 S HETATM 0 HO1 BME A 82 -10.407 12.919 3.389 1.00 0.00 H new HETATM 0 H22 BME A 82 -7.236 11.581 3.242 1.00 0.00 H new HETATM 0 H21 BME A 82 -8.316 10.230 2.960 1.00 0.00 H new HETATM 0 H12 BME A 82 -8.672 13.039 1.803 1.00 0.00 H new HETATM 0 H11 BME A 82 -9.744 11.689 1.493 1.00 0.00 H new