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 Single : A 3 ASN : amide:sc= -0.18 X(o=-0.18,f=-0.29) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 83:sc= 0.454 USER MOD Single : A 19 TYR OH : rot -7:sc= 1.61 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.0264 (180deg=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.0019 X(o=-0.0019,f=-0.0019) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 158:sc= -0.115 (180deg=-0.775) USER MOD Single : A 38 LYS NZ :NH3+ -102:sc= -3.03! (180deg=-4.69!) USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0712 (180deg=-0.374) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.18 F(o=-1.9!,f=-0.18) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.214 F(o=-0.88,f=-0.21) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -134:sc= 0.00226 (180deg=-1.49!) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.31 F(o=-4.7!,f=-0.31) USER MOD Single : A 54 TYR OH : rot -91:sc= 0.651 USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= -0.0125 (180deg=-0.0421) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0758) 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+ -159:sc= -0.0354 (180deg=-0.43) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= -0.0437 USER MOD Single : A 75 LYS NZ :NH3+ -129:sc= -1.24 (180deg=-4.05!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 BME O1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 3 -2.622 -8.930 7.432 1.00 0.00 N ATOM 2 CA ASN A 3 -2.005 -10.168 6.874 1.00 0.00 C ATOM 3 C ASN A 3 -1.865 -10.078 5.348 1.00 0.00 C ATOM 4 O ASN A 3 -2.702 -10.572 4.620 1.00 0.00 O ATOM 5 CB ASN A 3 -2.885 -11.379 7.258 1.00 0.00 C ATOM 6 CG ASN A 3 -3.013 -11.481 8.784 1.00 0.00 C ATOM 7 OD1 ASN A 3 -3.558 -10.614 9.437 1.00 0.00 O ATOM 8 ND2 ASN A 3 -2.522 -12.530 9.386 1.00 0.00 N ATOM 0 HA ASN A 3 -1.005 -10.286 7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.873 -11.276 6.809 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.448 -12.295 6.861 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.597 -12.618 10.399 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -2.063 -13.261 8.843 1.00 0.00 H new ATOM 15 N ALA A 4 -0.794 -9.426 4.966 1.00 0.00 N ATOM 16 CA ALA A 4 -0.370 -9.163 3.550 1.00 0.00 C ATOM 17 C ALA A 4 -0.408 -7.652 3.312 1.00 0.00 C ATOM 18 O ALA A 4 -1.482 -7.090 3.186 1.00 0.00 O ATOM 19 CB ALA A 4 -1.300 -9.824 2.491 1.00 0.00 C ATOM 0 H ALA A 4 -0.140 -9.032 5.643 1.00 0.00 H new ATOM 0 HA ALA A 4 0.626 -9.590 3.432 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.934 -9.593 1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.305 -10.904 2.635 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -2.313 -9.438 2.605 1.00 0.00 H new ATOM 25 N PRO A 5 0.747 -7.023 3.263 1.00 0.00 N ATOM 26 CA PRO A 5 0.839 -5.547 3.146 1.00 0.00 C ATOM 27 C PRO A 5 0.081 -5.080 1.894 1.00 0.00 C ATOM 28 O PRO A 5 0.516 -5.288 0.781 1.00 0.00 O ATOM 29 CB PRO A 5 2.358 -5.267 3.125 1.00 0.00 C ATOM 30 CG PRO A 5 2.946 -6.588 2.577 1.00 0.00 C ATOM 31 CD PRO A 5 2.101 -7.650 3.289 1.00 0.00 C ATOM 0 HA PRO A 5 0.374 -4.993 3.961 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.604 -4.419 2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.740 -5.037 4.120 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.852 -6.655 1.493 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.006 -6.688 2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.120 -8.606 2.767 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.447 -7.835 4.306 1.00 0.00 H new ATOM 39 N LYS A 6 -1.044 -4.464 2.141 1.00 0.00 N ATOM 40 CA LYS A 6 -1.914 -3.938 1.047 1.00 0.00 C ATOM 41 C LYS A 6 -1.157 -2.728 0.481 1.00 0.00 C ATOM 42 O LYS A 6 -0.126 -2.348 1.005 1.00 0.00 O ATOM 43 CB LYS A 6 -3.286 -3.510 1.649 1.00 0.00 C ATOM 44 CG LYS A 6 -4.380 -3.378 0.547 1.00 0.00 C ATOM 45 CD LYS A 6 -5.583 -2.567 1.079 1.00 0.00 C ATOM 46 CE LYS A 6 -6.599 -2.382 -0.070 1.00 0.00 C ATOM 47 NZ LYS A 6 -7.698 -1.461 0.347 1.00 0.00 N ATOM 0 H LYS A 6 -1.406 -4.299 3.080 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.116 -4.675 0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.603 -4.243 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.175 -2.558 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.963 -2.888 -0.332 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.711 -4.368 0.233 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.049 -3.087 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.251 -1.597 1.450 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.094 -1.981 -0.949 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.015 -3.348 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.372 -1.348 -0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.190 -1.859 1.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -7.298 -0.534 0.597 1.00 0.00 H new ATOM 61 N ARG A 7 -1.682 -2.150 -0.563 1.00 0.00 N ATOM 62 CA ARG A 7 -1.020 -0.978 -1.182 1.00 0.00 C ATOM 63 C ARG A 7 -0.918 0.199 -0.175 1.00 0.00 C ATOM 64 O ARG A 7 -1.943 0.716 0.231 1.00 0.00 O ATOM 65 CB ARG A 7 -1.827 -0.553 -2.445 1.00 0.00 C ATOM 66 CG ARG A 7 -1.763 -1.630 -3.576 1.00 0.00 C ATOM 67 CD ARG A 7 -2.550 -2.917 -3.217 1.00 0.00 C ATOM 68 NE ARG A 7 -2.544 -3.810 -4.413 1.00 0.00 N ATOM 69 CZ ARG A 7 -3.665 -4.169 -4.978 1.00 0.00 C ATOM 70 NH1 ARG A 7 -4.502 -4.922 -4.316 1.00 0.00 N ATOM 71 NH2 ARG A 7 -3.909 -3.757 -6.192 1.00 0.00 N ATOM 0 H ARG A 7 -2.548 -2.445 -1.014 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.005 -1.249 -1.471 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.867 -0.380 -2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.436 0.392 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.164 -1.208 -4.498 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.722 -1.887 -3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.092 -3.419 -2.365 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.572 -2.671 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.657 -4.142 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -4.277 -5.223 -3.368 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -5.381 -5.209 -4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.231 -3.169 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.777 -4.023 -6.656 1.00 0.00 H new ATOM 85 N PRO A 8 0.284 0.589 0.205 1.00 0.00 N ATOM 86 CA PRO A 8 0.530 1.764 1.102 1.00 0.00 C ATOM 87 C PRO A 8 0.047 3.097 0.466 1.00 0.00 C ATOM 88 O PRO A 8 -0.577 3.070 -0.579 1.00 0.00 O ATOM 89 CB PRO A 8 2.053 1.720 1.361 1.00 0.00 C ATOM 90 CG PRO A 8 2.433 0.255 1.066 1.00 0.00 C ATOM 91 CD PRO A 8 1.577 -0.063 -0.161 1.00 0.00 C ATOM 0 HA PRO A 8 -0.035 1.714 2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.590 2.411 0.711 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.293 1.997 2.388 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.497 0.145 0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.202 -0.402 1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.001 0.351 -1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.466 -1.136 -0.318 1.00 0.00 H new ATOM 99 N PRO A 9 0.332 4.216 1.105 1.00 0.00 N ATOM 100 CA PRO A 9 0.179 5.582 0.516 1.00 0.00 C ATOM 101 C PRO A 9 0.525 5.750 -0.976 1.00 0.00 C ATOM 102 O PRO A 9 1.014 4.848 -1.628 1.00 0.00 O ATOM 103 CB PRO A 9 1.032 6.444 1.450 1.00 0.00 C ATOM 104 CG PRO A 9 0.706 5.803 2.819 1.00 0.00 C ATOM 105 CD PRO A 9 0.843 4.302 2.507 1.00 0.00 C ATOM 0 HA PRO A 9 -0.872 5.869 0.474 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.094 6.387 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.753 7.497 1.410 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.400 6.124 3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.297 6.059 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.876 3.964 2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.256 3.690 3.191 1.00 0.00 H new ATOM 113 N SER A 10 0.253 6.938 -1.454 1.00 0.00 N ATOM 114 CA SER A 10 0.509 7.302 -2.884 1.00 0.00 C ATOM 115 C SER A 10 1.577 8.397 -3.049 1.00 0.00 C ATOM 116 O SER A 10 2.245 8.429 -4.063 1.00 0.00 O ATOM 117 CB SER A 10 -0.820 7.783 -3.502 1.00 0.00 C ATOM 118 OG SER A 10 -1.719 6.686 -3.368 1.00 0.00 O ATOM 0 H SER A 10 -0.147 7.693 -0.897 1.00 0.00 H new ATOM 0 HA SER A 10 0.893 6.417 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.197 8.665 -2.985 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.690 8.058 -4.549 1.00 0.00 H new ATOM 0 HG SER A 10 -2.591 6.930 -3.744 1.00 0.00 H new ATOM 124 N ALA A 11 1.670 9.234 -2.036 1.00 0.00 N ATOM 125 CA ALA A 11 2.608 10.412 -1.911 1.00 0.00 C ATOM 126 C ALA A 11 1.655 11.539 -1.526 1.00 0.00 C ATOM 127 O ALA A 11 1.878 12.335 -0.633 1.00 0.00 O ATOM 128 CB ALA A 11 3.265 10.766 -3.224 1.00 0.00 C ATOM 0 H ALA A 11 1.074 9.135 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 11 3.420 10.218 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.929 11.618 -3.080 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.841 9.914 -3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 11 2.499 11.022 -3.957 1.00 0.00 H new ATOM 134 N PHE A 12 0.584 11.525 -2.269 1.00 0.00 N ATOM 135 CA PHE A 12 -0.533 12.471 -2.144 1.00 0.00 C ATOM 136 C PHE A 12 -1.005 12.247 -0.713 1.00 0.00 C ATOM 137 O PHE A 12 -1.168 13.184 0.033 1.00 0.00 O ATOM 138 CB PHE A 12 -1.517 12.034 -3.259 1.00 0.00 C ATOM 139 CG PHE A 12 -2.987 12.460 -3.156 1.00 0.00 C ATOM 140 CD1 PHE A 12 -3.488 13.235 -2.136 1.00 0.00 C ATOM 141 CD2 PHE A 12 -3.855 12.015 -4.141 1.00 0.00 C ATOM 142 CE1 PHE A 12 -4.816 13.557 -2.089 1.00 0.00 C ATOM 143 CE2 PHE A 12 -5.195 12.339 -4.098 1.00 0.00 C ATOM 144 CZ PHE A 12 -5.676 13.115 -3.065 1.00 0.00 C ATOM 0 H PHE A 12 0.442 10.838 -3.009 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.350 13.537 -2.278 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.130 12.410 -4.206 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.492 10.946 -3.313 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -2.824 13.593 -1.363 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.478 11.408 -4.951 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.192 14.164 -1.278 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.864 11.987 -4.869 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.724 13.374 -3.023 1.00 0.00 H new ATOM 154 N PHE A 13 -1.187 10.997 -0.375 1.00 0.00 N ATOM 155 CA PHE A 13 -1.661 10.623 0.994 1.00 0.00 C ATOM 156 C PHE A 13 -1.096 11.489 2.136 1.00 0.00 C ATOM 157 O PHE A 13 -1.839 11.956 2.979 1.00 0.00 O ATOM 158 CB PHE A 13 -1.309 9.143 1.258 1.00 0.00 C ATOM 159 CG PHE A 13 -2.555 8.454 1.841 1.00 0.00 C ATOM 160 CD1 PHE A 13 -3.639 8.200 1.019 1.00 0.00 C ATOM 161 CD2 PHE A 13 -2.622 8.087 3.172 1.00 0.00 C ATOM 162 CE1 PHE A 13 -4.772 7.590 1.514 1.00 0.00 C ATOM 163 CE2 PHE A 13 -3.757 7.475 3.669 1.00 0.00 C ATOM 164 CZ PHE A 13 -4.831 7.227 2.841 1.00 0.00 C ATOM 0 H PHE A 13 -1.025 10.206 -0.999 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.737 10.796 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.001 8.654 0.334 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.472 9.068 1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.597 8.483 -0.022 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.784 8.279 3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -5.611 7.397 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -3.803 7.190 4.710 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.717 6.749 3.232 1.00 0.00 H new ATOM 174 N LEU A 14 0.196 11.692 2.133 1.00 0.00 N ATOM 175 CA LEU A 14 0.840 12.511 3.200 1.00 0.00 C ATOM 176 C LEU A 14 0.241 13.927 3.247 1.00 0.00 C ATOM 177 O LEU A 14 -0.309 14.355 4.246 1.00 0.00 O ATOM 178 CB LEU A 14 2.378 12.608 2.942 1.00 0.00 C ATOM 179 CG LEU A 14 3.191 11.246 2.904 1.00 0.00 C ATOM 180 CD1 LEU A 14 2.758 10.195 3.951 1.00 0.00 C ATOM 181 CD2 LEU A 14 3.249 10.607 1.501 1.00 0.00 C ATOM 0 H LEU A 14 0.837 11.322 1.431 1.00 0.00 H new ATOM 0 HA LEU A 14 0.656 12.023 4.157 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.530 13.120 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.812 13.240 3.717 1.00 0.00 H new ATOM 0 HG LEU A 14 4.197 11.560 3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.372 9.301 3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.885 10.605 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.711 9.936 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.820 9.679 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.237 10.394 1.156 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.731 11.296 0.807 1.00 0.00 H new ATOM 193 N PHE A 15 0.354 14.614 2.142 1.00 0.00 N ATOM 194 CA PHE A 15 -0.181 16.004 2.054 1.00 0.00 C ATOM 195 C PHE A 15 -1.723 16.006 2.302 1.00 0.00 C ATOM 196 O PHE A 15 -2.266 16.881 2.949 1.00 0.00 O ATOM 197 CB PHE A 15 0.331 16.501 0.639 1.00 0.00 C ATOM 198 CG PHE A 15 -0.680 17.057 -0.374 1.00 0.00 C ATOM 199 CD1 PHE A 15 -1.689 16.267 -0.886 1.00 0.00 C ATOM 200 CD2 PHE A 15 -0.551 18.367 -0.812 1.00 0.00 C ATOM 201 CE1 PHE A 15 -2.553 16.768 -1.822 1.00 0.00 C ATOM 202 CE2 PHE A 15 -1.420 18.869 -1.751 1.00 0.00 C ATOM 203 CZ PHE A 15 -2.423 18.067 -2.257 1.00 0.00 C ATOM 0 H PHE A 15 0.797 14.269 1.290 1.00 0.00 H new ATOM 0 HA PHE A 15 0.165 16.701 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.078 17.275 0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.844 15.665 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.798 15.248 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.234 18.993 -0.414 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -3.338 16.142 -2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -1.318 19.889 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 15 -3.107 18.460 -2.995 1.00 0.00 H new ATOM 213 N CYS A 16 -2.393 15.010 1.781 1.00 0.00 N ATOM 214 CA CYS A 16 -3.874 14.865 1.937 1.00 0.00 C ATOM 215 C CYS A 16 -4.211 14.914 3.422 1.00 0.00 C ATOM 216 O CYS A 16 -4.995 15.741 3.842 1.00 0.00 O ATOM 217 CB CYS A 16 -4.320 13.509 1.326 1.00 0.00 C ATOM 218 SG CYS A 16 -4.575 12.060 2.378 1.00 0.00 S ATOM 0 H CYS A 16 -1.959 14.265 1.235 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.395 15.671 1.421 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.255 13.689 0.796 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.577 13.235 0.577 1.00 0.00 H new ATOM 223 N SER A 17 -3.598 14.024 4.164 1.00 0.00 N ATOM 224 CA SER A 17 -3.828 13.954 5.632 1.00 0.00 C ATOM 225 C SER A 17 -3.732 15.333 6.277 1.00 0.00 C ATOM 226 O SER A 17 -4.652 15.784 6.936 1.00 0.00 O ATOM 227 CB SER A 17 -2.786 13.039 6.270 1.00 0.00 C ATOM 228 OG SER A 17 -3.050 11.761 5.707 1.00 0.00 O ATOM 0 H SER A 17 -2.938 13.334 3.804 1.00 0.00 H new ATOM 0 HA SER A 17 -4.832 13.562 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.773 13.372 6.044 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.882 13.023 7.356 1.00 0.00 H new ATOM 0 HG SER A 17 -2.620 11.695 4.829 1.00 0.00 H new ATOM 234 N GLU A 18 -2.590 15.930 6.036 1.00 0.00 N ATOM 235 CA GLU A 18 -2.236 17.286 6.545 1.00 0.00 C ATOM 236 C GLU A 18 -3.466 18.193 6.604 1.00 0.00 C ATOM 237 O GLU A 18 -3.707 18.827 7.612 1.00 0.00 O ATOM 238 CB GLU A 18 -1.152 17.850 5.621 1.00 0.00 C ATOM 239 CG GLU A 18 -0.524 19.121 6.231 1.00 0.00 C ATOM 240 CD GLU A 18 0.610 19.697 5.344 1.00 0.00 C ATOM 241 OE1 GLU A 18 0.891 19.135 4.295 1.00 0.00 O ATOM 242 OE2 GLU A 18 1.147 20.697 5.789 1.00 0.00 O ATOM 0 H GLU A 18 -1.852 15.504 5.476 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.859 17.228 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.379 17.099 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.582 18.082 4.647 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.297 19.877 6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.128 18.890 7.220 1.00 0.00 H new ATOM 249 N TYR A 19 -4.201 18.226 5.512 1.00 0.00 N ATOM 250 CA TYR A 19 -5.422 19.087 5.492 1.00 0.00 C ATOM 251 C TYR A 19 -6.608 18.353 4.857 1.00 0.00 C ATOM 252 O TYR A 19 -7.243 18.824 3.935 1.00 0.00 O ATOM 253 CB TYR A 19 -5.057 20.396 4.736 1.00 0.00 C ATOM 254 CG TYR A 19 -4.785 20.216 3.233 1.00 0.00 C ATOM 255 CD1 TYR A 19 -3.705 19.498 2.765 1.00 0.00 C ATOM 256 CD2 TYR A 19 -5.641 20.803 2.326 1.00 0.00 C ATOM 257 CE1 TYR A 19 -3.491 19.373 1.407 1.00 0.00 C ATOM 258 CE2 TYR A 19 -5.431 20.682 0.974 1.00 0.00 C ATOM 259 CZ TYR A 19 -4.352 19.965 0.501 1.00 0.00 C ATOM 260 OH TYR A 19 -4.141 19.854 -0.856 1.00 0.00 O ATOM 0 H TYR A 19 -4.011 17.706 4.655 1.00 0.00 H new ATOM 0 HA TYR A 19 -5.740 19.331 6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -5.871 21.111 4.861 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -4.174 20.834 5.201 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.025 19.032 3.463 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.490 21.367 2.684 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.643 18.808 1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.113 21.150 0.279 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.275 19.425 -1.018 1.00 0.00 H new ATOM 270 N ARG A 20 -6.857 17.193 5.407 1.00 0.00 N ATOM 271 CA ARG A 20 -7.969 16.302 4.958 1.00 0.00 C ATOM 272 C ARG A 20 -9.267 16.736 5.679 1.00 0.00 C ATOM 273 O ARG A 20 -10.178 17.187 5.008 1.00 0.00 O ATOM 274 CB ARG A 20 -7.526 14.833 5.289 1.00 0.00 C ATOM 275 CG ARG A 20 -8.699 13.830 5.441 1.00 0.00 C ATOM 276 CD ARG A 20 -8.092 12.417 5.604 1.00 0.00 C ATOM 277 NE ARG A 20 -9.162 11.456 6.014 1.00 0.00 N ATOM 278 CZ ARG A 20 -8.968 10.628 7.008 1.00 0.00 C ATOM 279 NH1 ARG A 20 -8.446 11.054 8.128 1.00 0.00 N ATOM 280 NH2 ARG A 20 -9.311 9.379 6.844 1.00 0.00 N ATOM 0 H ARG A 20 -6.312 16.812 6.181 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.174 16.366 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.862 14.480 4.500 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.948 14.840 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.311 14.085 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.350 13.868 4.568 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.639 12.094 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.299 12.435 6.352 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.051 11.446 5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.188 12.036 8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.297 10.405 8.900 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.717 9.074 5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.172 8.709 7.600 1.00 0.00 H new ATOM 294 N PRO A 21 -9.351 16.633 6.990 1.00 0.00 N ATOM 295 CA PRO A 21 -10.585 17.029 7.730 1.00 0.00 C ATOM 296 C PRO A 21 -10.912 18.503 7.425 1.00 0.00 C ATOM 297 O PRO A 21 -12.054 18.883 7.265 1.00 0.00 O ATOM 298 CB PRO A 21 -10.242 16.743 9.202 1.00 0.00 C ATOM 299 CG PRO A 21 -8.700 16.884 9.228 1.00 0.00 C ATOM 300 CD PRO A 21 -8.287 16.168 7.930 1.00 0.00 C ATOM 0 HA PRO A 21 -11.486 16.485 7.447 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.724 17.452 9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.562 15.746 9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.387 17.928 9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.263 16.414 10.109 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.290 16.459 7.599 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -8.282 15.084 8.042 1.00 0.00 H new ATOM 308 N LYS A 22 -9.851 19.263 7.363 1.00 0.00 N ATOM 309 CA LYS A 22 -9.906 20.725 7.080 1.00 0.00 C ATOM 310 C LYS A 22 -10.655 21.133 5.800 1.00 0.00 C ATOM 311 O LYS A 22 -11.279 22.175 5.804 1.00 0.00 O ATOM 312 CB LYS A 22 -8.453 21.246 7.028 1.00 0.00 C ATOM 313 CG LYS A 22 -7.830 21.236 8.448 1.00 0.00 C ATOM 314 CD LYS A 22 -8.393 22.423 9.278 1.00 0.00 C ATOM 315 CE LYS A 22 -7.897 22.345 10.732 1.00 0.00 C ATOM 316 NZ LYS A 22 -8.492 21.161 11.420 1.00 0.00 N ATOM 0 H LYS A 22 -8.905 18.910 7.504 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.489 21.175 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.860 20.624 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.436 22.258 6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.054 20.293 8.947 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.745 21.311 8.380 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.082 23.367 8.831 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.483 22.405 9.257 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.809 22.275 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.166 23.257 11.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.392 21.271 12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.500 21.088 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.999 20.298 11.114 1.00 0.00 H new ATOM 330 N ILE A 23 -10.614 20.349 4.745 1.00 0.00 N ATOM 331 CA ILE A 23 -11.339 20.761 3.504 1.00 0.00 C ATOM 332 C ILE A 23 -12.706 20.112 3.548 1.00 0.00 C ATOM 333 O ILE A 23 -13.689 20.676 3.120 1.00 0.00 O ATOM 334 CB ILE A 23 -10.539 20.303 2.241 1.00 0.00 C ATOM 335 CG1 ILE A 23 -10.079 18.814 2.334 1.00 0.00 C ATOM 336 CG2 ILE A 23 -9.309 21.229 2.106 1.00 0.00 C ATOM 337 CD1 ILE A 23 -9.530 18.338 0.970 1.00 0.00 C ATOM 0 H ILE A 23 -10.119 19.459 4.692 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.441 21.845 3.448 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.187 20.372 1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.310 18.711 3.100 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.917 18.185 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.727 20.936 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.641 22.261 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -8.690 21.144 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.213 17.298 1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.310 18.423 0.214 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -8.679 18.956 0.684 1.00 0.00 H new ATOM 349 N LYS A 24 -12.705 18.934 4.092 1.00 0.00 N ATOM 350 CA LYS A 24 -13.928 18.113 4.250 1.00 0.00 C ATOM 351 C LYS A 24 -14.846 18.753 5.304 1.00 0.00 C ATOM 352 O LYS A 24 -16.008 18.415 5.419 1.00 0.00 O ATOM 353 CB LYS A 24 -13.403 16.751 4.641 1.00 0.00 C ATOM 354 CG LYS A 24 -14.537 15.691 4.721 1.00 0.00 C ATOM 355 CD LYS A 24 -14.921 15.428 6.197 1.00 0.00 C ATOM 356 CE LYS A 24 -13.805 14.616 6.884 1.00 0.00 C ATOM 357 NZ LYS A 24 -14.138 14.402 8.319 1.00 0.00 N ATOM 0 H LYS A 24 -11.862 18.486 4.451 1.00 0.00 H new ATOM 0 HA LYS A 24 -14.544 18.039 3.354 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -12.656 16.429 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.902 16.819 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -15.409 16.039 4.167 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -14.211 14.763 4.252 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.071 16.373 6.719 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.864 14.884 6.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -13.683 13.655 6.384 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.855 15.143 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -13.380 13.854 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -14.233 15.322 8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.035 13.880 8.393 1.00 0.00 H new ATOM 371 N GLY A 25 -14.267 19.671 6.032 1.00 0.00 N ATOM 372 CA GLY A 25 -14.987 20.408 7.111 1.00 0.00 C ATOM 373 C GLY A 25 -15.482 21.748 6.567 1.00 0.00 C ATOM 374 O GLY A 25 -16.575 22.179 6.881 1.00 0.00 O ATOM 0 H GLY A 25 -13.292 19.949 5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -15.828 19.816 7.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -14.324 20.570 7.961 1.00 0.00 H new ATOM 378 N GLU A 26 -14.652 22.367 5.765 1.00 0.00 N ATOM 379 CA GLU A 26 -15.001 23.682 5.155 1.00 0.00 C ATOM 380 C GLU A 26 -16.037 23.512 4.039 1.00 0.00 C ATOM 381 O GLU A 26 -16.926 24.328 3.898 1.00 0.00 O ATOM 382 CB GLU A 26 -13.732 24.320 4.571 1.00 0.00 C ATOM 383 CG GLU A 26 -12.791 24.737 5.710 1.00 0.00 C ATOM 384 CD GLU A 26 -13.378 25.937 6.477 1.00 0.00 C ATOM 385 OE1 GLU A 26 -13.466 26.990 5.869 1.00 0.00 O ATOM 386 OE2 GLU A 26 -13.709 25.731 7.634 1.00 0.00 O ATOM 0 H GLU A 26 -13.733 22.009 5.505 1.00 0.00 H new ATOM 0 HA GLU A 26 -15.426 24.321 5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.229 23.613 3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -13.995 25.189 3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.641 23.900 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.813 24.998 5.306 1.00 0.00 H new ATOM 393 N HIS A 27 -15.879 22.457 3.280 1.00 0.00 N ATOM 394 CA HIS A 27 -16.795 22.148 2.148 1.00 0.00 C ATOM 395 C HIS A 27 -17.396 20.746 2.343 1.00 0.00 C ATOM 396 O HIS A 27 -16.993 19.797 1.695 1.00 0.00 O ATOM 397 CB HIS A 27 -15.984 22.227 0.835 1.00 0.00 C ATOM 398 CG HIS A 27 -15.120 23.495 0.873 1.00 0.00 C ATOM 399 ND1 HIS A 27 -15.553 24.706 0.743 1.00 0.00 N ATOM 400 CD2 HIS A 27 -13.756 23.638 1.055 1.00 0.00 C ATOM 401 CE1 HIS A 27 -14.564 25.536 0.837 1.00 0.00 C ATOM 402 NE2 HIS A 27 -13.427 24.914 1.027 1.00 0.00 N ATOM 0 H HIS A 27 -15.128 21.778 3.406 1.00 0.00 H new ATOM 0 HA HIS A 27 -17.616 22.864 2.107 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -15.356 21.343 0.724 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.655 22.251 -0.024 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.062 22.823 1.199 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -14.664 26.609 0.767 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -12.499 25.324 1.130 1.00 0.00 H new ATOM 410 N PRO A 28 -18.352 20.647 3.236 1.00 0.00 N ATOM 411 CA PRO A 28 -19.215 19.444 3.367 1.00 0.00 C ATOM 412 C PRO A 28 -20.324 19.546 2.296 1.00 0.00 C ATOM 413 O PRO A 28 -21.499 19.397 2.567 1.00 0.00 O ATOM 414 CB PRO A 28 -19.693 19.536 4.813 1.00 0.00 C ATOM 415 CG PRO A 28 -19.908 21.062 4.984 1.00 0.00 C ATOM 416 CD PRO A 28 -18.699 21.689 4.238 1.00 0.00 C ATOM 0 HA PRO A 28 -18.748 18.474 3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -20.612 18.974 4.976 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -18.953 19.147 5.513 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -20.856 21.384 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -19.923 21.349 6.035 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -18.963 22.634 3.763 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -17.868 21.893 4.914 1.00 0.00 H new ATOM 424 N GLY A 29 -19.859 19.805 1.099 1.00 0.00 N ATOM 425 CA GLY A 29 -20.710 19.956 -0.107 1.00 0.00 C ATOM 426 C GLY A 29 -20.252 18.952 -1.167 1.00 0.00 C ATOM 427 O GLY A 29 -21.048 18.508 -1.972 1.00 0.00 O ATOM 0 H GLY A 29 -18.864 19.923 0.908 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -21.756 19.785 0.146 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -20.638 20.972 -0.494 1.00 0.00 H new ATOM 431 N LEU A 30 -18.979 18.624 -1.137 1.00 0.00 N ATOM 432 CA LEU A 30 -18.422 17.658 -2.117 1.00 0.00 C ATOM 433 C LEU A 30 -18.607 16.218 -1.594 1.00 0.00 C ATOM 434 O LEU A 30 -19.141 15.993 -0.527 1.00 0.00 O ATOM 435 CB LEU A 30 -16.896 17.908 -2.348 1.00 0.00 C ATOM 436 CG LEU A 30 -16.254 19.124 -1.635 1.00 0.00 C ATOM 437 CD1 LEU A 30 -14.720 19.043 -1.865 1.00 0.00 C ATOM 438 CD2 LEU A 30 -16.762 20.436 -2.261 1.00 0.00 C ATOM 0 H LEU A 30 -18.304 18.992 -0.467 1.00 0.00 H new ATOM 0 HA LEU A 30 -18.954 17.794 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.358 17.013 -2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.732 18.022 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 30 -16.508 19.109 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.234 19.887 -1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -14.338 18.111 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.510 19.074 -2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -16.304 21.284 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -16.497 20.461 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -17.846 20.493 -2.157 1.00 0.00 H new ATOM 450 N SER A 31 -18.140 15.294 -2.390 1.00 0.00 N ATOM 451 CA SER A 31 -18.216 13.836 -2.078 1.00 0.00 C ATOM 452 C SER A 31 -16.813 13.318 -1.851 1.00 0.00 C ATOM 453 O SER A 31 -15.857 14.027 -2.069 1.00 0.00 O ATOM 454 CB SER A 31 -18.838 13.080 -3.257 1.00 0.00 C ATOM 455 OG SER A 31 -20.085 13.726 -3.464 1.00 0.00 O ATOM 0 H SER A 31 -17.690 15.500 -3.282 1.00 0.00 H new ATOM 0 HA SER A 31 -18.830 13.685 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 31 -18.207 13.137 -4.144 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.970 12.023 -3.027 1.00 0.00 H new ATOM 0 HG SER A 31 -20.554 13.300 -4.212 1.00 0.00 H new ATOM 461 N ILE A 32 -16.706 12.095 -1.415 1.00 0.00 N ATOM 462 CA ILE A 32 -15.360 11.491 -1.173 1.00 0.00 C ATOM 463 C ILE A 32 -14.519 11.552 -2.456 1.00 0.00 C ATOM 464 O ILE A 32 -13.308 11.625 -2.411 1.00 0.00 O ATOM 465 CB ILE A 32 -15.594 10.019 -0.682 1.00 0.00 C ATOM 466 CG1 ILE A 32 -15.800 9.994 0.856 1.00 0.00 C ATOM 467 CG2 ILE A 32 -14.422 9.104 -1.092 1.00 0.00 C ATOM 468 CD1 ILE A 32 -17.014 10.857 1.274 1.00 0.00 C ATOM 0 H ILE A 32 -17.496 11.482 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 32 -14.803 12.040 -0.413 1.00 0.00 H new ATOM 0 HB ILE A 32 -16.496 9.637 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.949 8.967 1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.902 10.362 1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -14.611 8.090 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -14.328 9.098 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.498 9.476 -0.650 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.132 10.819 2.357 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -16.851 11.889 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.915 10.472 0.797 1.00 0.00 H new ATOM 480 N GLY A 33 -15.213 11.528 -3.558 1.00 0.00 N ATOM 481 CA GLY A 33 -14.540 11.569 -4.894 1.00 0.00 C ATOM 482 C GLY A 33 -14.227 12.993 -5.364 1.00 0.00 C ATOM 483 O GLY A 33 -13.654 13.167 -6.418 1.00 0.00 O ATOM 0 H GLY A 33 -16.231 11.481 -3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -13.614 10.997 -4.846 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.178 11.081 -5.631 1.00 0.00 H new ATOM 487 N ASP A 34 -14.597 13.969 -4.577 1.00 0.00 N ATOM 488 CA ASP A 34 -14.360 15.401 -4.900 1.00 0.00 C ATOM 489 C ASP A 34 -13.306 15.881 -3.915 1.00 0.00 C ATOM 490 O ASP A 34 -12.400 16.594 -4.274 1.00 0.00 O ATOM 491 CB ASP A 34 -15.665 16.170 -4.717 1.00 0.00 C ATOM 492 CG ASP A 34 -16.719 15.727 -5.750 1.00 0.00 C ATOM 493 OD1 ASP A 34 -16.436 15.881 -6.928 1.00 0.00 O ATOM 494 OD2 ASP A 34 -17.753 15.260 -5.304 1.00 0.00 O ATOM 0 H ASP A 34 -15.073 13.821 -3.687 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.025 15.550 -5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.048 16.008 -3.709 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.478 17.239 -4.819 1.00 0.00 H new ATOM 499 N VAL A 35 -13.456 15.475 -2.689 1.00 0.00 N ATOM 500 CA VAL A 35 -12.498 15.859 -1.620 1.00 0.00 C ATOM 501 C VAL A 35 -11.169 15.195 -1.984 1.00 0.00 C ATOM 502 O VAL A 35 -10.114 15.708 -1.670 1.00 0.00 O ATOM 503 CB VAL A 35 -13.036 15.324 -0.269 1.00 0.00 C ATOM 504 CG1 VAL A 35 -11.981 15.518 0.845 1.00 0.00 C ATOM 505 CG2 VAL A 35 -14.315 16.077 0.151 1.00 0.00 C ATOM 0 H VAL A 35 -14.222 14.878 -2.375 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.370 16.938 -1.531 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.257 14.265 -0.402 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -12.373 15.137 1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.073 14.975 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.752 16.579 0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.673 15.683 1.102 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -14.093 17.139 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.083 15.942 -0.610 1.00 0.00 H new ATOM 515 N ALA A 36 -11.282 14.080 -2.657 1.00 0.00 N ATOM 516 CA ALA A 36 -10.100 13.305 -3.075 1.00 0.00 C ATOM 517 C ALA A 36 -9.668 13.721 -4.457 1.00 0.00 C ATOM 518 O ALA A 36 -8.480 13.838 -4.688 1.00 0.00 O ATOM 519 CB ALA A 36 -10.475 11.834 -3.050 1.00 0.00 C ATOM 0 H ALA A 36 -12.174 13.672 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.265 13.488 -2.399 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.617 11.235 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -10.774 11.552 -2.040 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.304 11.658 -3.736 1.00 0.00 H new ATOM 525 N LYS A 37 -10.606 13.936 -5.345 1.00 0.00 N ATOM 526 CA LYS A 37 -10.174 14.344 -6.701 1.00 0.00 C ATOM 527 C LYS A 37 -9.914 15.857 -6.793 1.00 0.00 C ATOM 528 O LYS A 37 -9.400 16.315 -7.790 1.00 0.00 O ATOM 529 CB LYS A 37 -11.260 13.898 -7.695 1.00 0.00 C ATOM 530 CG LYS A 37 -10.689 14.063 -9.099 1.00 0.00 C ATOM 531 CD LYS A 37 -11.493 13.258 -10.132 1.00 0.00 C ATOM 532 CE LYS A 37 -10.825 13.414 -11.512 1.00 0.00 C ATOM 533 NZ LYS A 37 -9.416 12.920 -11.472 1.00 0.00 N ATOM 0 H LYS A 37 -11.611 13.850 -5.194 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.225 13.865 -6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.542 12.861 -7.515 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.161 14.499 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.695 15.118 -9.374 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.649 13.736 -9.111 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.528 12.207 -9.847 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.523 13.613 -10.169 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.390 12.858 -12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.841 14.461 -11.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.105 12.680 -12.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.799 13.661 -11.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.362 12.074 -10.870 1.00 0.00 H new ATOM 547 N LYS A 38 -10.248 16.606 -5.773 1.00 0.00 N ATOM 548 CA LYS A 38 -10.015 18.084 -5.811 1.00 0.00 C ATOM 549 C LYS A 38 -8.639 18.225 -5.182 1.00 0.00 C ATOM 550 O LYS A 38 -7.737 18.775 -5.782 1.00 0.00 O ATOM 551 CB LYS A 38 -11.035 18.864 -4.943 1.00 0.00 C ATOM 552 CG LYS A 38 -10.843 20.399 -5.083 1.00 0.00 C ATOM 553 CD LYS A 38 -11.945 21.044 -5.971 1.00 0.00 C ATOM 554 CE LYS A 38 -11.829 20.647 -7.467 1.00 0.00 C ATOM 555 NZ LYS A 38 -12.253 19.237 -7.718 1.00 0.00 N ATOM 0 H LYS A 38 -10.673 16.258 -4.913 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.108 18.480 -6.822 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.049 18.594 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.921 18.576 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.859 20.858 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.863 20.604 -5.514 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.925 20.747 -5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.886 22.129 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.442 21.320 -8.067 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.798 20.777 -7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.412 18.635 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.821 18.897 -6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.822 19.195 -8.587 1.00 0.00 H new ATOM 569 N LEU A 39 -8.494 17.711 -3.983 1.00 0.00 N ATOM 570 CA LEU A 39 -7.164 17.822 -3.320 1.00 0.00 C ATOM 571 C LEU A 39 -6.168 16.973 -4.153 1.00 0.00 C ATOM 572 O LEU A 39 -5.001 17.297 -4.239 1.00 0.00 O ATOM 573 CB LEU A 39 -7.442 17.370 -1.851 1.00 0.00 C ATOM 574 CG LEU A 39 -6.492 16.320 -1.317 1.00 0.00 C ATOM 575 CD1 LEU A 39 -5.287 17.005 -0.687 1.00 0.00 C ATOM 576 CD2 LEU A 39 -7.201 15.518 -0.212 1.00 0.00 C ATOM 0 H LEU A 39 -9.220 17.232 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.701 18.808 -3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.396 18.245 -1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.459 16.983 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.181 15.668 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.601 16.251 -0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.778 17.609 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.619 17.646 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.523 14.759 0.178 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.496 16.190 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.087 15.036 -0.624 1.00 0.00 H new ATOM 588 N GLY A 40 -6.654 15.917 -4.757 1.00 0.00 N ATOM 589 CA GLY A 40 -5.771 15.040 -5.591 1.00 0.00 C ATOM 590 C GLY A 40 -5.264 15.825 -6.802 1.00 0.00 C ATOM 591 O GLY A 40 -4.111 15.720 -7.171 1.00 0.00 O ATOM 0 H GLY A 40 -7.629 15.622 -4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.929 14.685 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.323 14.160 -5.921 1.00 0.00 H new ATOM 595 N GLU A 41 -6.126 16.607 -7.400 1.00 0.00 N ATOM 596 CA GLU A 41 -5.701 17.408 -8.582 1.00 0.00 C ATOM 597 C GLU A 41 -4.568 18.317 -8.124 1.00 0.00 C ATOM 598 O GLU A 41 -3.506 18.340 -8.712 1.00 0.00 O ATOM 599 CB GLU A 41 -6.853 18.262 -9.078 1.00 0.00 C ATOM 600 CG GLU A 41 -7.801 17.460 -9.991 1.00 0.00 C ATOM 601 CD GLU A 41 -9.072 18.295 -10.284 1.00 0.00 C ATOM 602 OE1 GLU A 41 -8.911 19.343 -10.889 1.00 0.00 O ATOM 603 OE2 GLU A 41 -10.137 17.850 -9.890 1.00 0.00 O ATOM 0 H GLU A 41 -7.100 16.724 -7.121 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.384 16.751 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.411 18.652 -8.226 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.462 19.121 -9.623 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -7.297 17.208 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.074 16.520 -9.512 1.00 0.00 H new ATOM 610 N MET A 42 -4.842 19.037 -7.062 1.00 0.00 N ATOM 611 CA MET A 42 -3.814 19.970 -6.517 1.00 0.00 C ATOM 612 C MET A 42 -2.496 19.239 -6.311 1.00 0.00 C ATOM 613 O MET A 42 -1.461 19.744 -6.687 1.00 0.00 O ATOM 614 CB MET A 42 -4.284 20.528 -5.209 1.00 0.00 C ATOM 615 CG MET A 42 -5.553 21.373 -5.456 1.00 0.00 C ATOM 616 SD MET A 42 -5.981 22.618 -4.213 1.00 0.00 S ATOM 617 CE MET A 42 -7.467 21.843 -3.531 1.00 0.00 C ATOM 0 H MET A 42 -5.727 19.017 -6.555 1.00 0.00 H new ATOM 0 HA MET A 42 -3.663 20.782 -7.229 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.499 19.720 -4.509 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.504 21.141 -4.758 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.439 21.879 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.398 20.691 -5.554 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.040 22.583 -2.973 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.077 21.449 -4.344 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.180 21.029 -2.865 1.00 0.00 H new ATOM 627 N TRP A 43 -2.571 18.083 -5.703 1.00 0.00 N ATOM 628 CA TRP A 43 -1.360 17.255 -5.454 1.00 0.00 C ATOM 629 C TRP A 43 -0.568 17.166 -6.747 1.00 0.00 C ATOM 630 O TRP A 43 0.615 17.443 -6.769 1.00 0.00 O ATOM 631 CB TRP A 43 -1.785 15.855 -4.999 1.00 0.00 C ATOM 632 CG TRP A 43 -0.582 14.930 -5.103 1.00 0.00 C ATOM 633 CD1 TRP A 43 -0.441 13.971 -6.046 1.00 0.00 C ATOM 634 CD2 TRP A 43 0.493 14.940 -4.300 1.00 0.00 C ATOM 635 NE1 TRP A 43 0.730 13.452 -5.749 1.00 0.00 N ATOM 636 CE2 TRP A 43 1.376 13.959 -4.714 1.00 0.00 C ATOM 637 CE3 TRP A 43 0.794 15.737 -3.207 1.00 0.00 C ATOM 638 CZ2 TRP A 43 2.570 13.771 -4.030 1.00 0.00 C ATOM 639 CZ3 TRP A 43 1.989 15.554 -2.519 1.00 0.00 C ATOM 640 CH2 TRP A 43 2.881 14.569 -2.930 1.00 0.00 C ATOM 0 H TRP A 43 -3.441 17.673 -5.363 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.745 17.704 -4.675 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.153 15.885 -3.973 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.602 15.486 -5.620 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -1.119 13.700 -6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 43 1.125 12.687 -6.297 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.100 16.501 -2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.260 13.004 -4.351 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.224 16.175 -1.667 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.810 14.423 -2.399 1.00 0.00 H new ATOM 651 N ASN A 44 -1.275 16.789 -7.784 1.00 0.00 N ATOM 652 CA ASN A 44 -0.595 16.661 -9.103 1.00 0.00 C ATOM 653 C ASN A 44 0.121 17.973 -9.446 1.00 0.00 C ATOM 654 O ASN A 44 1.189 17.956 -10.028 1.00 0.00 O ATOM 655 CB ASN A 44 -1.642 16.287 -10.192 1.00 0.00 C ATOM 656 CG ASN A 44 -2.263 14.936 -9.793 1.00 0.00 C ATOM 657 OD1 ASN A 44 -3.560 14.829 -9.699 1.00 0.00 O flip ATOM 658 ND2 ASN A 44 -1.571 13.965 -9.562 1.00 0.00 N flip ATOM 0 H ASN A 44 -2.271 16.569 -7.774 1.00 0.00 H new ATOM 0 HA ASN A 44 0.153 15.869 -9.060 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.411 17.056 -10.264 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.168 16.217 -11.171 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.556 14.034 -9.632 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -2.005 13.080 -9.298 1.00 0.00 H new ATOM 665 N ASN A 45 -0.506 19.058 -9.061 1.00 0.00 N ATOM 666 CA ASN A 45 0.078 20.419 -9.320 1.00 0.00 C ATOM 667 C ASN A 45 0.499 21.121 -7.997 1.00 0.00 C ATOM 668 O ASN A 45 0.275 22.310 -7.838 1.00 0.00 O ATOM 669 CB ASN A 45 -0.991 21.275 -10.058 1.00 0.00 C ATOM 670 CG ASN A 45 -1.864 20.367 -10.927 1.00 0.00 C ATOM 671 OD1 ASN A 45 -3.106 20.205 -10.559 1.00 0.00 O flip ATOM 672 ND2 ASN A 45 -1.433 19.804 -11.915 1.00 0.00 N flip ATOM 0 H ASN A 45 -1.403 19.063 -8.575 1.00 0.00 H new ATOM 0 HA ASN A 45 0.975 20.312 -9.931 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.609 21.807 -9.334 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.504 22.029 -10.677 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.461 19.937 -12.194 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.043 19.199 -12.464 1.00 0.00 H new ATOM 679 N THR A 46 1.099 20.389 -7.079 1.00 0.00 N ATOM 680 CA THR A 46 1.527 21.024 -5.785 1.00 0.00 C ATOM 681 C THR A 46 2.771 21.884 -6.047 1.00 0.00 C ATOM 682 O THR A 46 2.885 22.986 -5.547 1.00 0.00 O ATOM 683 CB THR A 46 1.848 19.912 -4.714 1.00 0.00 C ATOM 684 OG1 THR A 46 2.114 20.653 -3.529 1.00 0.00 O ATOM 685 CG2 THR A 46 3.158 19.112 -4.945 1.00 0.00 C ATOM 0 H THR A 46 1.308 19.395 -7.168 1.00 0.00 H new ATOM 0 HA THR A 46 0.723 21.649 -5.397 1.00 0.00 H new ATOM 0 HB THR A 46 1.021 19.202 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.325 20.036 -2.798 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.279 18.375 -4.151 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.109 18.603 -5.908 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.007 19.795 -4.939 1.00 0.00 H new ATOM 693 N ALA A 47 3.651 21.318 -6.830 1.00 0.00 N ATOM 694 CA ALA A 47 4.940 21.956 -7.227 1.00 0.00 C ATOM 695 C ALA A 47 5.740 20.910 -8.003 1.00 0.00 C ATOM 696 O ALA A 47 6.255 21.197 -9.065 1.00 0.00 O ATOM 697 CB ALA A 47 5.766 22.383 -5.986 1.00 0.00 C ATOM 0 H ALA A 47 3.519 20.389 -7.231 1.00 0.00 H new ATOM 0 HA ALA A 47 4.736 22.846 -7.822 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.699 22.844 -6.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.193 23.099 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 47 5.987 21.506 -5.377 1.00 0.00 H new ATOM 703 N ALA A 48 5.796 19.740 -7.408 1.00 0.00 N ATOM 704 CA ALA A 48 6.520 18.521 -7.926 1.00 0.00 C ATOM 705 C ALA A 48 7.917 18.549 -7.286 1.00 0.00 C ATOM 706 O ALA A 48 8.613 17.554 -7.217 1.00 0.00 O ATOM 707 CB ALA A 48 6.709 18.515 -9.473 1.00 0.00 C ATOM 0 H ALA A 48 5.333 19.568 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 48 5.930 17.640 -7.676 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.237 17.609 -9.772 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.734 18.544 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.289 19.388 -9.772 1.00 0.00 H new ATOM 713 N ASP A 49 8.257 19.731 -6.836 1.00 0.00 N ATOM 714 CA ASP A 49 9.549 20.041 -6.175 1.00 0.00 C ATOM 715 C ASP A 49 9.264 20.100 -4.654 1.00 0.00 C ATOM 716 O ASP A 49 10.165 20.186 -3.844 1.00 0.00 O ATOM 717 CB ASP A 49 10.020 21.394 -6.760 1.00 0.00 C ATOM 718 CG ASP A 49 11.474 21.729 -6.379 1.00 0.00 C ATOM 719 OD1 ASP A 49 11.695 22.013 -5.213 1.00 0.00 O ATOM 720 OD2 ASP A 49 12.292 21.680 -7.285 1.00 0.00 O ATOM 0 H ASP A 49 7.643 20.542 -6.910 1.00 0.00 H new ATOM 0 HA ASP A 49 10.335 19.304 -6.341 1.00 0.00 H new ATOM 0 HB2 ASP A 49 9.930 21.367 -7.846 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.363 22.188 -6.405 1.00 0.00 H new ATOM 725 N ASP A 50 7.991 20.039 -4.336 1.00 0.00 N ATOM 726 CA ASP A 50 7.497 20.078 -2.926 1.00 0.00 C ATOM 727 C ASP A 50 6.948 18.672 -2.615 1.00 0.00 C ATOM 728 O ASP A 50 6.596 18.370 -1.492 1.00 0.00 O ATOM 729 CB ASP A 50 6.388 21.151 -2.826 1.00 0.00 C ATOM 730 CG ASP A 50 6.055 21.477 -1.356 1.00 0.00 C ATOM 731 OD1 ASP A 50 5.389 20.665 -0.733 1.00 0.00 O ATOM 732 OD2 ASP A 50 6.493 22.533 -0.931 1.00 0.00 O ATOM 0 H ASP A 50 7.246 19.961 -5.029 1.00 0.00 H new ATOM 0 HA ASP A 50 8.280 20.336 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.709 22.058 -3.338 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.491 20.798 -3.335 1.00 0.00 H new ATOM 737 N LYS A 51 6.897 17.841 -3.627 1.00 0.00 N ATOM 738 CA LYS A 51 6.392 16.453 -3.446 1.00 0.00 C ATOM 739 C LYS A 51 7.580 15.720 -2.882 1.00 0.00 C ATOM 740 O LYS A 51 7.437 15.063 -1.880 1.00 0.00 O ATOM 741 CB LYS A 51 6.027 15.759 -4.766 1.00 0.00 C ATOM 742 CG LYS A 51 4.730 16.300 -5.345 1.00 0.00 C ATOM 743 CD LYS A 51 4.340 15.387 -6.522 1.00 0.00 C ATOM 744 CE LYS A 51 3.020 15.853 -7.121 1.00 0.00 C ATOM 745 NZ LYS A 51 2.596 14.917 -8.201 1.00 0.00 N ATOM 0 H LYS A 51 7.187 18.071 -4.577 1.00 0.00 H new ATOM 0 HA LYS A 51 5.491 16.459 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.833 15.899 -5.486 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.932 14.686 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.945 16.309 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.859 17.328 -5.682 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.121 15.405 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.251 14.356 -6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.255 15.899 -6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.128 16.861 -7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.291 15.462 -9.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.394 14.304 -8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.806 14.331 -7.862 1.00 0.00 H new ATOM 759 N GLN A 52 8.698 15.855 -3.551 1.00 0.00 N ATOM 760 CA GLN A 52 9.983 15.203 -3.142 1.00 0.00 C ATOM 761 C GLN A 52 10.047 14.754 -1.660 1.00 0.00 C ATOM 762 O GLN A 52 10.241 13.579 -1.433 1.00 0.00 O ATOM 763 CB GLN A 52 11.136 16.209 -3.488 1.00 0.00 C ATOM 764 CG GLN A 52 12.155 15.587 -4.487 1.00 0.00 C ATOM 765 CD GLN A 52 11.539 15.188 -5.849 1.00 0.00 C ATOM 766 OE1 GLN A 52 10.251 15.264 -6.057 1.00 0.00 O flip ATOM 767 NE2 GLN A 52 12.246 14.792 -6.753 1.00 0.00 N flip ATOM 0 H GLN A 52 8.775 16.415 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 52 10.080 14.267 -3.692 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.712 17.117 -3.917 1.00 0.00 H new ATOM 0 HB3 GLN A 52 11.653 16.500 -2.574 1.00 0.00 H new ATOM 0 HG2 GLN A 52 12.961 16.301 -4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.603 14.705 -4.030 1.00 0.00 H new ATOM 0 HE21 GLN A 52 13.255 14.723 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 52 11.831 14.529 -7.647 1.00 0.00 H new ATOM 776 N PRO A 53 9.884 15.632 -0.693 1.00 0.00 N ATOM 777 CA PRO A 53 9.770 15.248 0.749 1.00 0.00 C ATOM 778 C PRO A 53 8.742 14.140 1.054 1.00 0.00 C ATOM 779 O PRO A 53 9.060 13.136 1.661 1.00 0.00 O ATOM 780 CB PRO A 53 9.444 16.565 1.462 1.00 0.00 C ATOM 781 CG PRO A 53 8.839 17.436 0.336 1.00 0.00 C ATOM 782 CD PRO A 53 9.759 17.109 -0.847 1.00 0.00 C ATOM 0 HA PRO A 53 10.696 14.790 1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.738 16.416 2.279 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.336 17.023 1.890 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.801 17.174 0.130 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.857 18.497 0.586 1.00 0.00 H new ATOM 0 HD2 PRO A 53 9.320 17.390 -1.804 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.721 17.616 -0.777 1.00 0.00 H new ATOM 790 N TYR A 54 7.538 14.368 0.604 1.00 0.00 N ATOM 791 CA TYR A 54 6.419 13.392 0.822 1.00 0.00 C ATOM 792 C TYR A 54 6.653 12.136 -0.011 1.00 0.00 C ATOM 793 O TYR A 54 6.551 11.019 0.459 1.00 0.00 O ATOM 794 CB TYR A 54 5.074 14.028 0.398 1.00 0.00 C ATOM 795 CG TYR A 54 4.695 15.234 1.278 1.00 0.00 C ATOM 796 CD1 TYR A 54 4.652 15.130 2.656 1.00 0.00 C ATOM 797 CD2 TYR A 54 4.381 16.447 0.693 1.00 0.00 C ATOM 798 CE1 TYR A 54 4.303 16.218 3.431 1.00 0.00 C ATOM 799 CE2 TYR A 54 4.035 17.535 1.470 1.00 0.00 C ATOM 800 CZ TYR A 54 3.992 17.428 2.843 1.00 0.00 C ATOM 801 OH TYR A 54 3.641 18.517 3.616 1.00 0.00 O ATOM 0 H TYR A 54 7.273 15.204 0.084 1.00 0.00 H new ATOM 0 HA TYR A 54 6.387 13.131 1.880 1.00 0.00 H new ATOM 0 HB2 TYR A 54 5.137 14.346 -0.643 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.286 13.277 0.455 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.893 14.190 3.130 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.407 16.544 -0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.273 16.122 4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.796 18.477 0.998 1.00 0.00 H new ATOM 0 HH TYR A 54 2.669 18.533 3.737 1.00 0.00 H new ATOM 811 N GLU A 55 6.960 12.379 -1.253 1.00 0.00 N ATOM 812 CA GLU A 55 7.221 11.278 -2.211 1.00 0.00 C ATOM 813 C GLU A 55 8.306 10.337 -1.689 1.00 0.00 C ATOM 814 O GLU A 55 8.085 9.149 -1.646 1.00 0.00 O ATOM 815 CB GLU A 55 7.614 11.929 -3.552 1.00 0.00 C ATOM 816 CG GLU A 55 6.670 11.394 -4.640 1.00 0.00 C ATOM 817 CD GLU A 55 7.047 11.997 -6.007 1.00 0.00 C ATOM 818 OE1 GLU A 55 8.149 11.713 -6.448 1.00 0.00 O ATOM 819 OE2 GLU A 55 6.209 12.709 -6.539 1.00 0.00 O ATOM 0 H GLU A 55 7.042 13.315 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 55 6.333 10.660 -2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.539 13.014 -3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.650 11.696 -3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 55 6.731 10.307 -4.684 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.638 11.646 -4.394 1.00 0.00 H new ATOM 826 N LYS A 56 9.440 10.875 -1.319 1.00 0.00 N ATOM 827 CA LYS A 56 10.574 10.060 -0.785 1.00 0.00 C ATOM 828 C LYS A 56 10.060 8.965 0.165 1.00 0.00 C ATOM 829 O LYS A 56 10.509 7.837 0.128 1.00 0.00 O ATOM 830 CB LYS A 56 11.544 11.022 -0.053 1.00 0.00 C ATOM 831 CG LYS A 56 12.676 10.245 0.679 1.00 0.00 C ATOM 832 CD LYS A 56 13.657 11.232 1.374 1.00 0.00 C ATOM 833 CE LYS A 56 14.948 11.418 0.545 1.00 0.00 C ATOM 834 NZ LYS A 56 14.654 12.000 -0.794 1.00 0.00 N ATOM 0 H LYS A 56 9.632 11.876 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 56 11.093 9.555 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.983 11.714 -0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.988 11.621 0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 56 12.243 9.573 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 56 13.220 9.626 -0.035 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.169 12.197 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.910 10.858 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 56 15.637 12.069 1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 56 15.446 10.456 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 15.546 12.191 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.085 11.328 -1.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.125 12.888 -0.678 1.00 0.00 H new ATOM 848 N LYS A 57 9.109 9.352 0.978 1.00 0.00 N ATOM 849 CA LYS A 57 8.519 8.393 1.960 1.00 0.00 C ATOM 850 C LYS A 57 7.630 7.426 1.189 1.00 0.00 C ATOM 851 O LYS A 57 7.846 6.235 1.257 1.00 0.00 O ATOM 852 CB LYS A 57 7.714 9.201 3.011 1.00 0.00 C ATOM 853 CG LYS A 57 8.711 9.891 3.973 1.00 0.00 C ATOM 854 CD LYS A 57 9.281 8.836 4.966 1.00 0.00 C ATOM 855 CE LYS A 57 10.744 9.154 5.326 1.00 0.00 C ATOM 856 NZ LYS A 57 10.878 10.525 5.895 1.00 0.00 N ATOM 0 H LYS A 57 8.715 10.293 1.004 1.00 0.00 H new ATOM 0 HA LYS A 57 9.284 7.822 2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.088 9.945 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.048 8.541 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.522 10.350 3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.212 10.690 4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.675 8.819 5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 57 9.219 7.842 4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.111 8.422 6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.367 9.065 4.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.835 10.648 6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.714 11.229 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.179 10.656 6.653 1.00 0.00 H new ATOM 870 N ALA A 58 6.661 7.955 0.484 1.00 0.00 N ATOM 871 CA ALA A 58 5.732 7.092 -0.319 1.00 0.00 C ATOM 872 C ALA A 58 6.506 5.967 -1.029 1.00 0.00 C ATOM 873 O ALA A 58 6.125 4.817 -0.988 1.00 0.00 O ATOM 874 CB ALA A 58 5.023 7.951 -1.352 1.00 0.00 C ATOM 0 H ALA A 58 6.470 8.955 0.428 1.00 0.00 H new ATOM 0 HA ALA A 58 5.005 6.637 0.354 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.346 7.330 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.453 8.731 -0.847 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.760 8.409 -2.012 1.00 0.00 H new ATOM 880 N ALA A 59 7.588 6.360 -1.660 1.00 0.00 N ATOM 881 CA ALA A 59 8.460 5.404 -2.400 1.00 0.00 C ATOM 882 C ALA A 59 8.949 4.338 -1.421 1.00 0.00 C ATOM 883 O ALA A 59 8.657 3.175 -1.592 1.00 0.00 O ATOM 884 CB ALA A 59 9.648 6.180 -3.001 1.00 0.00 C ATOM 0 H ALA A 59 7.907 7.328 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 59 7.912 4.920 -3.209 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.294 5.492 -3.545 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.276 6.944 -3.683 1.00 0.00 H new ATOM 0 HB3 ALA A 59 10.216 6.654 -2.200 1.00 0.00 H new ATOM 890 N LYS A 60 9.679 4.776 -0.425 1.00 0.00 N ATOM 891 CA LYS A 60 10.249 3.900 0.640 1.00 0.00 C ATOM 892 C LYS A 60 9.211 2.850 1.056 1.00 0.00 C ATOM 893 O LYS A 60 9.506 1.681 1.163 1.00 0.00 O ATOM 894 CB LYS A 60 10.644 4.793 1.840 1.00 0.00 C ATOM 895 CG LYS A 60 11.978 4.309 2.465 1.00 0.00 C ATOM 896 CD LYS A 60 13.156 4.742 1.551 1.00 0.00 C ATOM 897 CE LYS A 60 14.497 4.303 2.165 1.00 0.00 C ATOM 898 NZ LYS A 60 15.622 4.832 1.340 1.00 0.00 N ATOM 0 H LYS A 60 9.913 5.761 -0.305 1.00 0.00 H new ATOM 0 HA LYS A 60 11.131 3.373 0.274 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.744 5.828 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 60 9.855 4.771 2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.101 4.732 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.969 3.225 2.578 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.039 4.300 0.562 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.145 5.824 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.578 4.671 3.188 1.00 0.00 H new ATOM 0 HE3 LYS A 60 14.548 3.215 2.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 16.527 4.535 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 15.547 4.460 0.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.577 5.871 1.316 1.00 0.00 H new ATOM 912 N LEU A 61 8.005 3.309 1.279 1.00 0.00 N ATOM 913 CA LEU A 61 6.899 2.392 1.689 1.00 0.00 C ATOM 914 C LEU A 61 6.535 1.434 0.555 1.00 0.00 C ATOM 915 O LEU A 61 6.597 0.241 0.770 1.00 0.00 O ATOM 916 CB LEU A 61 5.717 3.272 2.089 1.00 0.00 C ATOM 917 CG LEU A 61 6.180 4.223 3.227 1.00 0.00 C ATOM 918 CD1 LEU A 61 5.032 5.163 3.561 1.00 0.00 C ATOM 919 CD2 LEU A 61 6.642 3.424 4.474 1.00 0.00 C ATOM 0 H LEU A 61 7.738 4.290 1.193 1.00 0.00 H new ATOM 0 HA LEU A 61 7.202 1.765 2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.365 3.848 1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.882 2.657 2.424 1.00 0.00 H new ATOM 0 HG LEU A 61 7.041 4.803 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.337 5.840 4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.766 5.741 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.169 4.582 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.960 4.117 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.816 2.817 4.844 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.475 2.776 4.203 1.00 0.00 H new ATOM 931 N LYS A 62 6.164 1.938 -0.598 1.00 0.00 N ATOM 932 CA LYS A 62 5.807 1.048 -1.762 1.00 0.00 C ATOM 933 C LYS A 62 6.848 -0.075 -1.838 1.00 0.00 C ATOM 934 O LYS A 62 6.547 -1.243 -1.951 1.00 0.00 O ATOM 935 CB LYS A 62 5.826 1.889 -3.053 1.00 0.00 C ATOM 936 CG LYS A 62 4.576 2.802 -3.116 1.00 0.00 C ATOM 937 CD LYS A 62 3.350 2.001 -3.643 1.00 0.00 C ATOM 938 CE LYS A 62 3.497 1.780 -5.169 1.00 0.00 C ATOM 939 NZ LYS A 62 2.380 0.937 -5.679 1.00 0.00 N ATOM 0 H LYS A 62 6.091 2.937 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 62 4.814 0.616 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.731 2.496 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.850 1.233 -3.923 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.359 3.203 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.771 3.653 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.281 1.041 -3.130 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.429 2.543 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.501 2.741 -5.684 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.452 1.300 -5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.491 0.797 -6.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.395 0.014 -5.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.474 1.411 -5.491 1.00 0.00 H new ATOM 953 N GLU A 63 8.070 0.375 -1.754 1.00 0.00 N ATOM 954 CA GLU A 63 9.276 -0.483 -1.792 1.00 0.00 C ATOM 955 C GLU A 63 9.196 -1.531 -0.669 1.00 0.00 C ATOM 956 O GLU A 63 9.232 -2.717 -0.931 1.00 0.00 O ATOM 957 CB GLU A 63 10.494 0.482 -1.649 1.00 0.00 C ATOM 958 CG GLU A 63 10.840 1.075 -3.029 1.00 0.00 C ATOM 959 CD GLU A 63 11.957 2.121 -2.861 1.00 0.00 C ATOM 960 OE1 GLU A 63 11.655 3.153 -2.282 1.00 0.00 O ATOM 961 OE2 GLU A 63 13.052 1.834 -3.318 1.00 0.00 O ATOM 0 H GLU A 63 8.285 1.367 -1.654 1.00 0.00 H new ATOM 0 HA GLU A 63 9.370 -1.048 -2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.259 1.281 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.353 -0.055 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.163 0.285 -3.707 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.957 1.535 -3.473 1.00 0.00 H new ATOM 968 N LYS A 64 9.076 -1.067 0.552 1.00 0.00 N ATOM 969 CA LYS A 64 8.993 -1.989 1.730 1.00 0.00 C ATOM 970 C LYS A 64 7.962 -3.083 1.482 1.00 0.00 C ATOM 971 O LYS A 64 8.210 -4.259 1.670 1.00 0.00 O ATOM 972 CB LYS A 64 8.612 -1.149 2.978 1.00 0.00 C ATOM 973 CG LYS A 64 9.854 -0.376 3.492 1.00 0.00 C ATOM 974 CD LYS A 64 10.769 -1.298 4.351 1.00 0.00 C ATOM 975 CE LYS A 64 10.148 -1.537 5.750 1.00 0.00 C ATOM 976 NZ LYS A 64 10.118 -0.259 6.520 1.00 0.00 N ATOM 0 H LYS A 64 9.031 -0.075 0.786 1.00 0.00 H new ATOM 0 HA LYS A 64 9.955 -2.476 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.815 -0.449 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.228 -1.801 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 64 10.418 0.016 2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 64 9.534 0.480 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.912 -2.252 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 64 11.754 -0.843 4.458 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.138 -1.932 5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.728 -2.284 6.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.046 -0.468 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.990 0.277 6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.296 0.306 6.224 1.00 0.00 H new ATOM 990 N TYR A 65 6.822 -2.630 1.043 1.00 0.00 N ATOM 991 CA TYR A 65 5.693 -3.528 0.749 1.00 0.00 C ATOM 992 C TYR A 65 6.113 -4.599 -0.226 1.00 0.00 C ATOM 993 O TYR A 65 6.165 -5.756 0.124 1.00 0.00 O ATOM 994 CB TYR A 65 4.554 -2.592 0.233 1.00 0.00 C ATOM 995 CG TYR A 65 3.587 -3.266 -0.759 1.00 0.00 C ATOM 996 CD1 TYR A 65 3.072 -4.521 -0.530 1.00 0.00 C ATOM 997 CD2 TYR A 65 3.223 -2.600 -1.917 1.00 0.00 C ATOM 998 CE1 TYR A 65 2.213 -5.104 -1.437 1.00 0.00 C ATOM 999 CE2 TYR A 65 2.367 -3.182 -2.826 1.00 0.00 C ATOM 1000 CZ TYR A 65 1.853 -4.440 -2.591 1.00 0.00 C ATOM 1001 OH TYR A 65 0.993 -5.026 -3.495 1.00 0.00 O ATOM 0 H TYR A 65 6.629 -1.643 0.874 1.00 0.00 H new ATOM 0 HA TYR A 65 5.340 -4.085 1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.984 -2.226 1.087 1.00 0.00 H new ATOM 0 HB3 TYR A 65 5.003 -1.722 -0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.343 -5.055 0.369 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.615 -1.612 -2.110 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.818 -6.090 -1.242 1.00 0.00 H new ATOM 0 HE2 TYR A 65 2.097 -2.651 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 65 0.847 -4.418 -4.249 1.00 0.00 H new ATOM 1011 N GLU A 66 6.412 -4.166 -1.410 1.00 0.00 N ATOM 1012 CA GLU A 66 6.841 -5.074 -2.503 1.00 0.00 C ATOM 1013 C GLU A 66 7.909 -6.116 -2.138 1.00 0.00 C ATOM 1014 O GLU A 66 7.937 -7.185 -2.716 1.00 0.00 O ATOM 1015 CB GLU A 66 7.362 -4.222 -3.616 1.00 0.00 C ATOM 1016 CG GLU A 66 6.255 -3.264 -4.136 1.00 0.00 C ATOM 1017 CD GLU A 66 5.434 -3.944 -5.249 1.00 0.00 C ATOM 1018 OE1 GLU A 66 6.011 -4.143 -6.306 1.00 0.00 O ATOM 1019 OE2 GLU A 66 4.278 -4.230 -4.978 1.00 0.00 O ATOM 0 H GLU A 66 6.376 -3.182 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 66 5.962 -5.660 -2.771 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.217 -3.643 -3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.715 -4.854 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.598 -2.977 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.707 -2.348 -4.517 1.00 0.00 H new ATOM 1026 N LYS A 67 8.748 -5.781 -1.195 1.00 0.00 N ATOM 1027 CA LYS A 67 9.836 -6.721 -0.775 1.00 0.00 C ATOM 1028 C LYS A 67 9.457 -7.676 0.338 1.00 0.00 C ATOM 1029 O LYS A 67 9.925 -8.797 0.414 1.00 0.00 O ATOM 1030 CB LYS A 67 11.066 -5.922 -0.300 1.00 0.00 C ATOM 1031 CG LYS A 67 12.004 -5.555 -1.454 1.00 0.00 C ATOM 1032 CD LYS A 67 11.424 -4.476 -2.379 1.00 0.00 C ATOM 1033 CE LYS A 67 12.464 -4.158 -3.465 1.00 0.00 C ATOM 1034 NZ LYS A 67 11.956 -3.077 -4.356 1.00 0.00 N ATOM 0 H LYS A 67 8.729 -4.893 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 67 10.044 -7.320 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.734 -5.011 0.199 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.614 -6.508 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.952 -5.205 -1.047 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.219 -6.450 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.496 -4.824 -2.833 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.183 -3.578 -1.810 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.402 -3.849 -3.003 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.676 -5.053 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.665 -2.868 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.073 -3.387 -4.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.775 -2.221 -3.794 1.00 0.00 H new ATOM 1048 N ASP A 68 8.598 -7.173 1.161 1.00 0.00 N ATOM 1049 CA ASP A 68 8.100 -7.923 2.324 1.00 0.00 C ATOM 1050 C ASP A 68 6.965 -8.790 1.893 1.00 0.00 C ATOM 1051 O ASP A 68 6.688 -9.756 2.570 1.00 0.00 O ATOM 1052 CB ASP A 68 7.637 -6.942 3.351 1.00 0.00 C ATOM 1053 CG ASP A 68 7.383 -7.651 4.694 1.00 0.00 C ATOM 1054 OD1 ASP A 68 8.362 -8.082 5.287 1.00 0.00 O ATOM 1055 OD2 ASP A 68 6.218 -7.724 5.050 1.00 0.00 O ATOM 0 H ASP A 68 8.207 -6.235 1.069 1.00 0.00 H new ATOM 0 HA ASP A 68 8.885 -8.551 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.386 -6.161 3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.723 -6.454 3.011 1.00 0.00 H new ATOM 1060 N ILE A 69 6.360 -8.423 0.793 1.00 0.00 N ATOM 1061 CA ILE A 69 5.220 -9.232 0.295 1.00 0.00 C ATOM 1062 C ILE A 69 5.857 -10.349 -0.509 1.00 0.00 C ATOM 1063 O ILE A 69 5.469 -11.496 -0.438 1.00 0.00 O ATOM 1064 CB ILE A 69 4.294 -8.333 -0.572 1.00 0.00 C ATOM 1065 CG1 ILE A 69 3.148 -9.143 -1.164 1.00 0.00 C ATOM 1066 CG2 ILE A 69 5.012 -7.776 -1.780 1.00 0.00 C ATOM 1067 CD1 ILE A 69 2.518 -10.035 -0.121 1.00 0.00 C ATOM 0 H ILE A 69 6.605 -7.609 0.228 1.00 0.00 H new ATOM 0 HA ILE A 69 4.595 -9.640 1.089 1.00 0.00 H new ATOM 0 HB ILE A 69 3.955 -7.544 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.395 -8.469 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.516 -9.750 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.327 -7.154 -2.356 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.860 -7.174 -1.454 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.368 -8.597 -2.403 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.703 -10.602 -0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.267 -10.724 0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.129 -9.424 0.693 1.00 0.00 H new ATOM 1079 N ALA A 70 6.844 -9.946 -1.255 1.00 0.00 N ATOM 1080 CA ALA A 70 7.590 -10.909 -2.109 1.00 0.00 C ATOM 1081 C ALA A 70 8.166 -11.990 -1.198 1.00 0.00 C ATOM 1082 O ALA A 70 8.333 -13.113 -1.624 1.00 0.00 O ATOM 1083 CB ALA A 70 8.718 -10.175 -2.842 1.00 0.00 C ATOM 0 H ALA A 70 7.169 -8.981 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 70 6.932 -11.358 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.265 -10.880 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.295 -9.388 -3.467 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.398 -9.733 -2.114 1.00 0.00 H new ATOM 1089 N ALA A 71 8.439 -11.608 0.028 1.00 0.00 N ATOM 1090 CA ALA A 71 9.002 -12.553 1.031 1.00 0.00 C ATOM 1091 C ALA A 71 7.832 -13.250 1.756 1.00 0.00 C ATOM 1092 O ALA A 71 7.903 -14.411 2.115 1.00 0.00 O ATOM 1093 CB ALA A 71 9.853 -11.756 2.025 1.00 0.00 C ATOM 0 H ALA A 71 8.290 -10.661 0.377 1.00 0.00 H new ATOM 0 HA ALA A 71 9.626 -13.308 0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.274 -12.433 2.768 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.661 -11.254 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.230 -11.013 2.523 1.00 0.00 H new ATOM 1099 N TYR A 72 6.782 -12.496 1.945 1.00 0.00 N ATOM 1100 CA TYR A 72 5.548 -12.999 2.635 1.00 0.00 C ATOM 1101 C TYR A 72 5.016 -14.259 1.945 1.00 0.00 C ATOM 1102 O TYR A 72 4.703 -15.252 2.573 1.00 0.00 O ATOM 1103 CB TYR A 72 4.487 -11.919 2.568 1.00 0.00 C ATOM 1104 CG TYR A 72 3.474 -11.975 3.705 1.00 0.00 C ATOM 1105 CD1 TYR A 72 2.491 -12.938 3.775 1.00 0.00 C ATOM 1106 CD2 TYR A 72 3.554 -11.016 4.692 1.00 0.00 C ATOM 1107 CE1 TYR A 72 1.602 -12.939 4.827 1.00 0.00 C ATOM 1108 CE2 TYR A 72 2.668 -11.014 5.739 1.00 0.00 C ATOM 1109 CZ TYR A 72 1.682 -11.977 5.818 1.00 0.00 C ATOM 1110 OH TYR A 72 0.790 -11.978 6.873 1.00 0.00 O ATOM 0 H TYR A 72 6.723 -11.524 1.642 1.00 0.00 H new ATOM 0 HA TYR A 72 5.792 -13.243 3.669 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.974 -10.944 2.577 1.00 0.00 H new ATOM 0 HB3 TYR A 72 3.958 -12.002 1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.418 -13.692 3.005 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.322 -10.259 4.640 1.00 0.00 H new ATOM 0 HE1 TYR A 72 0.835 -13.698 4.879 1.00 0.00 H new ATOM 0 HE2 TYR A 72 2.742 -10.256 6.505 1.00 0.00 H new ATOM 0 HH TYR A 72 0.994 -11.232 7.475 1.00 0.00 H new ATOM 1120 N ARG A 73 4.958 -14.128 0.645 1.00 0.00 N ATOM 1121 CA ARG A 73 4.466 -15.200 -0.250 1.00 0.00 C ATOM 1122 C ARG A 73 5.545 -16.224 -0.516 1.00 0.00 C ATOM 1123 O ARG A 73 5.256 -17.405 -0.536 1.00 0.00 O ATOM 1124 CB ARG A 73 4.001 -14.537 -1.563 1.00 0.00 C ATOM 1125 CG ARG A 73 2.764 -13.638 -1.330 1.00 0.00 C ATOM 1126 CD ARG A 73 1.501 -14.504 -1.215 1.00 0.00 C ATOM 1127 NE ARG A 73 0.343 -13.592 -0.978 1.00 0.00 N ATOM 1128 CZ ARG A 73 -0.472 -13.791 0.023 1.00 0.00 C ATOM 1129 NH1 ARG A 73 0.008 -14.008 1.218 1.00 0.00 N ATOM 1130 NH2 ARG A 73 -1.753 -13.762 -0.221 1.00 0.00 N ATOM 0 H ARG A 73 5.246 -13.282 0.154 1.00 0.00 H new ATOM 0 HA ARG A 73 3.637 -15.730 0.220 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.813 -13.941 -1.980 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.761 -15.307 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.897 -13.051 -0.421 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.657 -12.932 -2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.351 -15.083 -2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.600 -15.217 -0.396 1.00 0.00 H new ATOM 0 HE ARG A 73 0.186 -12.803 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 73 1.017 -14.022 1.368 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.626 -14.164 2.002 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.088 -13.588 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.420 -13.913 0.536 1.00 0.00 H new ATOM 1144 N ALA A 74 6.736 -15.719 -0.718 1.00 0.00 N ATOM 1145 CA ALA A 74 7.934 -16.590 -0.997 1.00 0.00 C ATOM 1146 C ALA A 74 7.839 -17.999 -0.369 1.00 0.00 C ATOM 1147 O ALA A 74 8.092 -18.999 -1.014 1.00 0.00 O ATOM 1148 CB ALA A 74 9.188 -15.914 -0.456 1.00 0.00 C ATOM 0 H ALA A 74 6.939 -14.719 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 74 7.972 -16.716 -2.079 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.056 -16.543 -0.657 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.319 -14.948 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.087 -15.768 0.619 1.00 0.00 H new ATOM 1154 N LYS A 75 7.471 -17.944 0.890 1.00 0.00 N ATOM 1155 CA LYS A 75 7.275 -19.097 1.835 1.00 0.00 C ATOM 1156 C LYS A 75 8.426 -18.919 2.845 1.00 0.00 C ATOM 1157 O LYS A 75 9.320 -19.739 2.957 1.00 0.00 O ATOM 1158 CB LYS A 75 7.408 -20.521 1.144 1.00 0.00 C ATOM 1159 CG LYS A 75 7.002 -21.606 2.201 1.00 0.00 C ATOM 1160 CD LYS A 75 7.231 -23.077 1.735 1.00 0.00 C ATOM 1161 CE LYS A 75 8.740 -23.392 1.621 1.00 0.00 C ATOM 1162 NZ LYS A 75 9.311 -22.829 0.364 1.00 0.00 N ATOM 0 H LYS A 75 7.280 -17.050 1.342 1.00 0.00 H new ATOM 0 HA LYS A 75 6.272 -19.082 2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.763 -20.582 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.429 -20.685 0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.570 -21.435 3.116 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.949 -21.477 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.765 -23.763 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.748 -23.236 0.771 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.267 -22.979 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.892 -24.471 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.835 -23.571 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.541 -22.476 -0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.956 -22.046 0.596 1.00 0.00 H new ATOM 1176 N GLY A 76 8.354 -17.820 3.552 1.00 0.00 N ATOM 1177 CA GLY A 76 9.382 -17.474 4.577 1.00 0.00 C ATOM 1178 C GLY A 76 8.864 -17.721 5.987 1.00 0.00 C ATOM 1179 O GLY A 76 9.575 -18.319 6.767 1.00 0.00 O ATOM 0 H GLY A 76 7.607 -17.132 3.458 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.281 -18.068 4.408 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.667 -16.427 4.470 1.00 0.00 H new ATOM 1183 N LYS A 77 7.666 -17.238 6.224 1.00 0.00 N ATOM 1184 CA LYS A 77 6.883 -17.325 7.516 1.00 0.00 C ATOM 1185 C LYS A 77 7.553 -18.066 8.715 1.00 0.00 C ATOM 1186 O LYS A 77 8.119 -19.123 8.506 1.00 0.00 O ATOM 1187 CB LYS A 77 5.544 -18.027 7.240 1.00 0.00 C ATOM 1188 CG LYS A 77 4.884 -17.504 5.943 1.00 0.00 C ATOM 1189 CD LYS A 77 3.544 -18.244 5.743 1.00 0.00 C ATOM 1190 CE LYS A 77 2.987 -17.946 4.337 1.00 0.00 C ATOM 1191 NZ LYS A 77 1.686 -18.650 4.148 1.00 0.00 N ATOM 0 H LYS A 77 7.148 -16.737 5.502 1.00 0.00 H new ATOM 0 HA LYS A 77 6.793 -16.285 7.831 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.706 -19.102 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.869 -17.869 8.081 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.717 -16.429 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.541 -17.672 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.689 -19.317 5.867 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.828 -17.930 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.851 -16.872 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.699 -18.269 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.315 -18.445 3.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.828 -19.675 4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.006 -18.321 4.863 1.00 0.00 H new ATOM 1205 N PRO A 78 7.471 -17.553 9.930 1.00 0.00 N ATOM 1206 CA PRO A 78 8.268 -18.086 11.082 1.00 0.00 C ATOM 1207 C PRO A 78 7.819 -19.499 11.529 1.00 0.00 C ATOM 1208 O PRO A 78 8.247 -19.982 12.561 1.00 0.00 O ATOM 1209 CB PRO A 78 8.096 -17.005 12.189 1.00 0.00 C ATOM 1210 CG PRO A 78 7.569 -15.765 11.413 1.00 0.00 C ATOM 1211 CD PRO A 78 6.640 -16.394 10.373 1.00 0.00 C ATOM 0 HA PRO A 78 9.315 -18.241 10.822 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.392 -17.326 12.957 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.040 -16.792 12.691 1.00 0.00 H new ATOM 0 HG2 PRO A 78 7.037 -15.074 12.066 1.00 0.00 H new ATOM 0 HG3 PRO A 78 8.379 -15.204 10.947 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.688 -16.707 10.803 1.00 0.00 H new ATOM 0 HD3 PRO A 78 6.411 -15.711 9.555 1.00 0.00 H new ATOM 1219 N ASP A 79 6.971 -20.107 10.733 1.00 0.00 N ATOM 1220 CA ASP A 79 6.440 -21.478 11.019 1.00 0.00 C ATOM 1221 C ASP A 79 6.549 -22.410 9.803 1.00 0.00 C ATOM 1222 O ASP A 79 5.983 -23.485 9.784 1.00 0.00 O ATOM 1223 CB ASP A 79 4.960 -21.326 11.459 1.00 0.00 C ATOM 1224 CG ASP A 79 4.073 -20.632 10.386 1.00 0.00 C ATOM 1225 OD1 ASP A 79 4.570 -20.285 9.323 1.00 0.00 O ATOM 1226 OD2 ASP A 79 2.906 -20.483 10.707 1.00 0.00 O ATOM 0 H ASP A 79 6.615 -19.696 9.870 1.00 0.00 H new ATOM 0 HA ASP A 79 7.036 -21.937 11.808 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.550 -22.311 11.679 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.919 -20.750 12.383 1.00 0.00 H new ATOM 1231 N ALA A 80 7.285 -21.943 8.830 1.00 0.00 N ATOM 1232 CA ALA A 80 7.510 -22.698 7.564 1.00 0.00 C ATOM 1233 C ALA A 80 9.007 -22.828 7.257 1.00 0.00 C ATOM 1234 O ALA A 80 9.503 -23.924 7.086 1.00 0.00 O ATOM 1235 CB ALA A 80 6.794 -21.951 6.429 1.00 0.00 C ATOM 0 H ALA A 80 7.755 -21.038 8.863 1.00 0.00 H new ATOM 0 HA ALA A 80 7.111 -23.707 7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.944 -22.485 5.491 1.00 0.00 H new ATOM 0 HB2 ALA A 80 5.728 -21.894 6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 80 7.201 -20.944 6.343 1.00 0.00 H new ATOM 1241 N ALA A 81 9.670 -21.699 7.200 1.00 0.00 N ATOM 1242 CA ALA A 81 11.137 -21.676 6.903 1.00 0.00 C ATOM 1243 C ALA A 81 11.899 -20.868 7.970 1.00 0.00 C ATOM 1244 O ALA A 81 12.832 -21.434 8.517 1.00 0.00 O ATOM 1245 CB ALA A 81 11.335 -21.062 5.504 1.00 0.00 C ATOM 1246 OXT ALA A 81 11.509 -19.729 8.178 1.00 0.00 O ATOM 0 H ALA A 81 9.252 -20.781 7.349 1.00 0.00 H new ATOM 0 HA ALA A 81 11.536 -22.690 6.922 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.398 -21.035 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.812 -21.668 4.764 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.935 -20.048 5.492 1.00 0.00 H new TER 1252 ALA A 81 HETATM 1253 C1 BME A 82 -8.180 9.971 1.111 1.00 0.00 C HETATM 1254 C2 BME A 82 -7.037 10.986 0.972 1.00 0.00 C HETATM 1255 O1 BME A 82 -8.266 9.379 -0.177 1.00 0.00 O HETATM 1256 S2 BME A 82 -6.589 11.934 2.448 1.00 0.00 S HETATM 0 HO1 BME A 82 -8.979 8.707 -0.181 1.00 0.00 H new HETATM 0 H22 BME A 82 -6.150 10.452 0.632 1.00 0.00 H new HETATM 0 H21 BME A 82 -7.305 11.692 0.186 1.00 0.00 H new HETATM 0 H12 BME A 82 -7.964 9.228 1.879 1.00 0.00 H new HETATM 0 H11 BME A 82 -9.115 10.457 1.391 1.00 0.00 H new