USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 HIS : no HE2:sc= 0.696 K(o=2.9,f=-6.1!) USER MOD Set 1.2: A 86 THR OG1 : rot -35:sc= 2.21 USER MOD Set 2.1: A 29 SER OG : rot 126:sc= 0.00757 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= -0.335 USER MOD Set 3.1: A 31 GLN : amide:sc= 0.464 K(o=1.1,f=-2.7) USER MOD Set 3.2: A 36 CYS SG : rot 145:sc= 0.638 USER MOD Set 4.1: A 14 THR OG1 : rot 141:sc= 0.994 USER MOD Set 4.2: A 85 LYS NZ :NH3+ -108:sc= 1.16 (180deg=0) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.125 F(o=-1.2,f=-0.12) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl 165:sc= -0.21 (180deg=-0.433) USER MOD Single : A 59 ASN :FLIP amide:sc= -0.121 F(o=-0.87,f=-0.12) USER MOD Single : A 61 GLN : amide:sc= -0.0634 X(o=-0.063,f=0) USER MOD Single : A 62 SER OG : rot 24:sc= 1.12 USER MOD Single : A 66 THR OG1 : rot -160:sc= -1.81! USER MOD Single : A 68 HIS : no HD1:sc= -0.355 X(o=-0.35,f=-0.31) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= -0.0952 (180deg=-0.301) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.858 K(o=0.86,f=0) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 84 MET CE :methyl -166:sc= -1.99 (180deg=-2.8!) USER MOD Single : A 87 MET CE :methyl -139:sc= -0.0524 (180deg=-1.03) USER MOD ----------------------------------------------------------------- ATOM 54 N ASN A 11 14.358 -7.682 3.359 1.00 0.00 N ATOM 55 CA ASN A 11 13.631 -6.685 2.651 1.00 0.00 C ATOM 56 C ASN A 11 12.416 -6.450 3.452 1.00 0.00 C ATOM 57 O ASN A 11 11.580 -7.334 3.651 1.00 0.00 O ATOM 58 CB ASN A 11 13.330 -6.944 1.139 1.00 0.00 C ATOM 59 CG ASN A 11 12.405 -8.099 0.799 1.00 0.00 C ATOM 60 OD1 ASN A 11 12.976 -9.228 0.464 1.00 0.00 O flip ATOM 61 ND2 ASN A 11 11.173 -7.947 0.763 1.00 0.00 N flip ATOM 0 HA ASN A 11 14.263 -5.802 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 11 12.900 -6.034 0.720 1.00 0.00 H new ATOM 0 HB3 ASN A 11 14.279 -7.112 0.630 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.761 -7.053 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.573 -8.716 0.465 1.00 0.00 H new ATOM 68 N VAL A 12 12.397 -5.321 4.011 1.00 0.00 N ATOM 69 CA VAL A 12 11.420 -4.936 4.920 1.00 0.00 C ATOM 70 C VAL A 12 10.367 -4.176 4.218 1.00 0.00 C ATOM 71 O VAL A 12 10.633 -3.253 3.448 1.00 0.00 O ATOM 72 CB VAL A 12 12.014 -4.103 6.078 1.00 0.00 C ATOM 73 CG1 VAL A 12 10.929 -3.554 6.980 1.00 0.00 C ATOM 74 CG2 VAL A 12 12.963 -4.940 6.899 1.00 0.00 C ATOM 0 H VAL A 12 13.100 -4.602 3.838 1.00 0.00 H new ATOM 0 HA VAL A 12 10.987 -5.834 5.360 1.00 0.00 H new ATOM 0 HB VAL A 12 12.553 -3.267 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 12 11.383 -2.974 7.783 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.264 -2.914 6.401 1.00 0.00 H new ATOM 0 HG13 VAL A 12 10.358 -4.379 7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 12 13.372 -4.337 7.710 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.428 -5.794 7.316 1.00 0.00 H new ATOM 0 HG23 VAL A 12 13.776 -5.295 6.266 1.00 0.00 H new ATOM 84 N THR A 13 9.227 -4.599 4.442 1.00 0.00 N ATOM 85 CA THR A 13 8.073 -4.044 3.945 1.00 0.00 C ATOM 86 C THR A 13 7.209 -3.685 5.137 1.00 0.00 C ATOM 87 O THR A 13 6.728 -4.560 5.888 1.00 0.00 O ATOM 88 CB THR A 13 7.429 -5.091 3.055 1.00 0.00 C ATOM 89 OG1 THR A 13 8.213 -5.266 1.849 1.00 0.00 O ATOM 90 CG2 THR A 13 5.978 -4.805 2.748 1.00 0.00 C ATOM 0 H THR A 13 9.054 -5.415 5.029 1.00 0.00 H new ATOM 0 HA THR A 13 8.235 -3.143 3.354 1.00 0.00 H new ATOM 0 HB THR A 13 7.423 -6.029 3.610 1.00 0.00 H new ATOM 0 HG1 THR A 13 7.792 -5.944 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.580 -5.592 2.108 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.409 -4.770 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.896 -3.846 2.237 1.00 0.00 H new ATOM 98 N THR A 14 7.099 -2.428 5.356 1.00 0.00 N ATOM 99 CA THR A 14 6.393 -1.907 6.454 1.00 0.00 C ATOM 100 C THR A 14 4.912 -1.934 6.179 1.00 0.00 C ATOM 101 O THR A 14 4.461 -1.666 5.070 1.00 0.00 O ATOM 102 CB THR A 14 6.827 -0.473 6.725 1.00 0.00 C ATOM 103 OG1 THR A 14 8.262 -0.417 6.823 1.00 0.00 O ATOM 104 CG2 THR A 14 6.212 0.048 8.014 1.00 0.00 C ATOM 0 H THR A 14 7.512 -1.715 4.755 1.00 0.00 H new ATOM 0 HA THR A 14 6.610 -2.522 7.327 1.00 0.00 H new ATOM 0 HB THR A 14 6.484 0.153 5.901 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.588 0.400 6.390 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.538 1.074 8.184 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.125 0.021 7.936 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.531 -0.577 8.848 1.00 0.00 H new ATOM 112 N VAL A 15 4.191 -2.293 7.161 1.00 0.00 N ATOM 113 CA VAL A 15 2.787 -2.323 7.102 1.00 0.00 C ATOM 114 C VAL A 15 2.254 -1.330 8.062 1.00 0.00 C ATOM 115 O VAL A 15 2.724 -1.245 9.193 1.00 0.00 O ATOM 116 CB VAL A 15 2.258 -3.710 7.443 1.00 0.00 C ATOM 117 CG1 VAL A 15 0.751 -3.684 7.607 1.00 0.00 C ATOM 118 CG2 VAL A 15 2.634 -4.670 6.350 1.00 0.00 C ATOM 0 H VAL A 15 4.573 -2.585 8.061 1.00 0.00 H new ATOM 0 HA VAL A 15 2.464 -2.081 6.089 1.00 0.00 H new ATOM 0 HB VAL A 15 2.701 -4.033 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.394 -4.685 7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.484 -2.998 8.411 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.290 -3.350 6.678 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.256 -5.663 6.592 1.00 0.00 H new ATOM 0 HG22 VAL A 15 2.200 -4.337 5.408 1.00 0.00 H new ATOM 0 HG23 VAL A 15 3.719 -4.708 6.256 1.00 0.00 H new ATOM 128 N LEU A 16 1.326 -0.560 7.630 1.00 0.00 N ATOM 129 CA LEU A 16 0.718 0.353 8.494 1.00 0.00 C ATOM 130 C LEU A 16 -0.757 0.091 8.562 1.00 0.00 C ATOM 131 O LEU A 16 -1.479 0.243 7.580 1.00 0.00 O ATOM 132 CB LEU A 16 0.957 1.777 8.093 1.00 0.00 C ATOM 133 CG LEU A 16 0.443 2.774 9.108 1.00 0.00 C ATOM 134 CD1 LEU A 16 1.390 2.926 10.271 1.00 0.00 C ATOM 135 CD2 LEU A 16 0.138 4.069 8.483 1.00 0.00 C ATOM 0 H LEU A 16 0.975 -0.552 6.672 1.00 0.00 H new ATOM 0 HA LEU A 16 1.171 0.211 9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.026 1.933 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.475 1.964 7.133 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.491 2.378 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.985 3.650 10.978 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.513 1.964 10.768 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.358 3.274 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.229 4.761 9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.041 4.475 8.027 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.625 3.932 7.717 1.00 0.00 H new ATOM 147 N ILE A 17 -1.177 -0.264 9.704 1.00 0.00 N ATOM 148 CA ILE A 17 -2.548 -0.528 10.000 1.00 0.00 C ATOM 149 C ILE A 17 -3.121 0.685 10.654 1.00 0.00 C ATOM 150 O ILE A 17 -2.427 1.362 11.402 1.00 0.00 O ATOM 151 CB ILE A 17 -2.641 -1.773 10.969 1.00 0.00 C ATOM 152 CG1 ILE A 17 -2.975 -3.030 10.200 1.00 0.00 C ATOM 153 CG2 ILE A 17 -3.655 -1.583 12.099 1.00 0.00 C ATOM 154 CD1 ILE A 17 -4.375 -2.991 9.663 1.00 0.00 C ATOM 0 H ILE A 17 -0.559 -0.389 10.506 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.106 -0.754 9.091 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.656 -1.869 11.427 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.272 -3.151 9.376 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.858 -3.897 10.850 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.670 -2.473 12.728 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.372 -0.719 12.700 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.646 -1.421 11.675 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.581 -3.911 9.116 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.079 -2.895 10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.484 -2.138 8.993 1.00 0.00 H new ATOM 166 N ARG A 18 -4.320 1.027 10.281 1.00 0.00 N ATOM 167 CA ARG A 18 -5.047 2.008 10.994 1.00 0.00 C ATOM 168 C ARG A 18 -6.232 1.319 11.585 1.00 0.00 C ATOM 169 O ARG A 18 -7.201 1.003 10.903 1.00 0.00 O ATOM 170 CB ARG A 18 -5.458 3.226 10.143 1.00 0.00 C ATOM 171 CG ARG A 18 -4.295 4.132 9.742 1.00 0.00 C ATOM 172 CD ARG A 18 -3.482 3.565 8.593 1.00 0.00 C ATOM 173 NE ARG A 18 -4.224 3.647 7.322 1.00 0.00 N ATOM 174 CZ ARG A 18 -3.952 2.985 6.178 1.00 0.00 C ATOM 175 NH1 ARG A 18 -2.984 2.070 6.121 1.00 0.00 N ATOM 176 NH2 ARG A 18 -4.688 3.234 5.092 1.00 0.00 N ATOM 0 H ARG A 18 -4.809 0.631 9.478 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.408 2.435 11.767 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.956 2.873 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.187 3.815 10.700 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.683 5.111 9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.644 4.283 10.603 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.543 4.111 8.505 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.228 2.526 8.802 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.030 4.272 7.305 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.432 1.859 6.953 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.795 1.581 5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.444 3.917 5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.494 2.741 4.220 1.00 0.00 H new ATOM 190 N ARG A 19 -6.120 1.043 12.834 1.00 0.00 N ATOM 191 CA ARG A 19 -7.130 0.348 13.554 1.00 0.00 C ATOM 192 C ARG A 19 -8.001 1.332 14.304 1.00 0.00 C ATOM 193 O ARG A 19 -7.505 2.033 15.180 1.00 0.00 O ATOM 194 CB ARG A 19 -6.472 -0.643 14.510 1.00 0.00 C ATOM 195 CG ARG A 19 -7.435 -1.355 15.427 1.00 0.00 C ATOM 196 CD ARG A 19 -6.735 -2.423 16.240 1.00 0.00 C ATOM 197 NE ARG A 19 -7.679 -3.162 17.048 1.00 0.00 N ATOM 198 CZ ARG A 19 -7.400 -3.875 18.138 1.00 0.00 C ATOM 199 NH1 ARG A 19 -6.219 -3.817 18.681 1.00 0.00 N ATOM 200 NH2 ARG A 19 -8.344 -4.631 18.690 1.00 0.00 N ATOM 0 H ARG A 19 -5.309 1.298 13.397 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.766 -0.203 12.861 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.928 -1.386 13.927 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.737 -0.112 15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.903 -0.634 16.097 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.233 -1.808 14.839 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.209 -3.106 15.573 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.984 -1.962 16.882 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.655 -3.135 16.754 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.498 -3.222 18.272 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.014 -4.366 19.516 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.277 -4.663 18.279 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.135 -5.179 19.525 1.00 0.00 H new ATOM 214 N PRO A 20 -9.301 1.410 13.959 1.00 0.00 N ATOM 215 CA PRO A 20 -10.249 2.321 14.612 1.00 0.00 C ATOM 216 C PRO A 20 -10.192 2.233 16.146 1.00 0.00 C ATOM 217 O PRO A 20 -9.964 3.249 16.817 1.00 0.00 O ATOM 218 CB PRO A 20 -11.599 1.856 14.087 1.00 0.00 C ATOM 219 CG PRO A 20 -11.296 1.296 12.745 1.00 0.00 C ATOM 220 CD PRO A 20 -9.948 0.647 12.867 1.00 0.00 C ATOM 0 HA PRO A 20 -10.032 3.366 14.391 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.043 1.105 14.741 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.307 2.682 14.023 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.053 0.572 12.444 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.285 2.080 11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.032 -0.412 13.111 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.382 0.716 11.938 1.00 0.00 H new ATOM 228 N ASP A 21 -10.350 1.029 16.684 1.00 0.00 N ATOM 229 CA ASP A 21 -10.284 0.791 18.120 1.00 0.00 C ATOM 230 C ASP A 21 -10.336 -0.704 18.359 1.00 0.00 C ATOM 231 O ASP A 21 -10.262 -1.481 17.392 1.00 0.00 O ATOM 232 CB ASP A 21 -11.399 1.534 18.901 1.00 0.00 C ATOM 233 CG ASP A 21 -12.755 0.919 18.798 1.00 0.00 C ATOM 234 OD1 ASP A 21 -13.472 1.169 17.820 1.00 0.00 O ATOM 235 OD2 ASP A 21 -13.119 0.182 19.725 1.00 0.00 O ATOM 0 H ASP A 21 -10.528 0.188 16.134 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.346 1.196 18.501 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.116 1.581 19.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.453 2.561 18.539 1.00 0.00 H new ATOM 240 N LEU A 22 -10.482 -1.110 19.608 1.00 0.00 N ATOM 241 CA LEU A 22 -10.411 -2.508 20.003 1.00 0.00 C ATOM 242 C LEU A 22 -11.571 -3.351 19.502 1.00 0.00 C ATOM 243 O LEU A 22 -11.470 -4.581 19.454 1.00 0.00 O ATOM 244 CB LEU A 22 -10.250 -2.630 21.506 1.00 0.00 C ATOM 245 CG LEU A 22 -9.019 -1.933 22.077 1.00 0.00 C ATOM 246 CD1 LEU A 22 -8.879 -2.242 23.537 1.00 0.00 C ATOM 247 CD2 LEU A 22 -7.778 -2.353 21.324 1.00 0.00 C ATOM 0 H LEU A 22 -10.655 -0.473 20.385 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.526 -2.916 19.515 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -11.138 -2.220 21.987 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.206 -3.687 21.768 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.142 -0.856 21.961 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.997 -1.739 23.932 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.764 -1.894 24.069 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.774 -3.318 23.673 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.909 -1.847 21.744 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.647 -3.432 21.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.882 -2.084 20.273 1.00 0.00 H new ATOM 259 N ARG A 23 -12.639 -2.701 19.087 1.00 0.00 N ATOM 260 CA ARG A 23 -13.831 -3.397 18.551 1.00 0.00 C ATOM 261 C ARG A 23 -13.538 -3.992 17.171 1.00 0.00 C ATOM 262 O ARG A 23 -14.329 -4.774 16.630 1.00 0.00 O ATOM 263 CB ARG A 23 -15.013 -2.445 18.437 1.00 0.00 C ATOM 264 CG ARG A 23 -15.348 -1.732 19.715 1.00 0.00 C ATOM 265 CD ARG A 23 -16.460 -0.743 19.502 1.00 0.00 C ATOM 266 NE ARG A 23 -16.403 0.346 20.472 1.00 0.00 N ATOM 267 CZ ARG A 23 -17.453 0.889 21.085 1.00 0.00 C ATOM 268 NH1 ARG A 23 -18.638 0.275 21.066 1.00 0.00 N ATOM 269 NH2 ARG A 23 -17.306 2.024 21.755 1.00 0.00 N ATOM 0 H ARG A 23 -12.723 -1.685 19.104 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.080 -4.198 19.247 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.798 -1.705 17.666 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -15.887 -3.005 18.106 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.641 -2.457 20.474 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.464 -1.216 20.091 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.397 -0.336 18.493 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.421 -1.252 19.581 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.483 0.722 20.699 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.743 -0.616 20.580 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -19.438 0.696 21.538 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.393 2.476 21.799 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -18.106 2.445 22.227 1.00 0.00 H new ATOM 283 N TYR A 24 -12.424 -3.589 16.601 1.00 0.00 N ATOM 284 CA TYR A 24 -11.992 -4.045 15.320 1.00 0.00 C ATOM 285 C TYR A 24 -10.746 -4.829 15.539 1.00 0.00 C ATOM 286 O TYR A 24 -9.968 -4.477 16.412 1.00 0.00 O ATOM 287 CB TYR A 24 -11.651 -2.859 14.411 1.00 0.00 C ATOM 288 CG TYR A 24 -12.819 -2.023 13.947 1.00 0.00 C ATOM 289 CD1 TYR A 24 -13.494 -1.169 14.812 1.00 0.00 C ATOM 290 CD2 TYR A 24 -13.229 -2.074 12.625 1.00 0.00 C ATOM 291 CE1 TYR A 24 -14.537 -0.387 14.367 1.00 0.00 C ATOM 292 CE2 TYR A 24 -14.271 -1.299 12.170 1.00 0.00 C ATOM 293 CZ TYR A 24 -14.926 -0.458 13.046 1.00 0.00 C ATOM 294 OH TYR A 24 -15.963 0.326 12.599 1.00 0.00 O ATOM 0 H TYR A 24 -11.787 -2.920 17.034 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.779 -4.634 14.850 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.953 -2.210 14.940 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.130 -3.239 13.532 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.196 -1.118 15.849 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -12.721 -2.735 11.938 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -15.047 0.278 15.049 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -14.574 -1.349 11.135 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.112 0.159 11.645 1.00 0.00 H new ATOM 304 N GLN A 25 -10.553 -5.871 14.807 1.00 0.00 N ATOM 305 CA GLN A 25 -9.323 -6.604 14.904 1.00 0.00 C ATOM 306 C GLN A 25 -8.587 -6.555 13.602 1.00 0.00 C ATOM 307 O GLN A 25 -9.134 -6.122 12.604 1.00 0.00 O ATOM 308 CB GLN A 25 -9.498 -8.037 15.369 1.00 0.00 C ATOM 309 CG GLN A 25 -10.499 -8.840 14.589 1.00 0.00 C ATOM 310 CD GLN A 25 -10.341 -10.343 14.819 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.771 -10.727 15.947 1.00 0.00 O flip ATOM 312 NE2 GLN A 25 -10.669 -11.151 13.953 1.00 0.00 N flip ATOM 0 H GLN A 25 -11.225 -6.240 14.134 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.734 -6.112 15.678 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -8.532 -8.540 15.318 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.798 -8.029 16.417 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.506 -8.535 14.872 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.387 -8.623 13.527 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -11.108 -10.825 13.092 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.503 -12.147 14.096 1.00 0.00 H new ATOM 321 N LEU A 26 -7.377 -7.045 13.637 1.00 0.00 N ATOM 322 CA LEU A 26 -6.419 -6.982 12.549 1.00 0.00 C ATOM 323 C LEU A 26 -6.970 -7.649 11.285 1.00 0.00 C ATOM 324 O LEU A 26 -7.143 -7.001 10.242 1.00 0.00 O ATOM 325 CB LEU A 26 -5.094 -7.673 12.964 1.00 0.00 C ATOM 326 CG LEU A 26 -4.470 -7.334 14.354 1.00 0.00 C ATOM 327 CD1 LEU A 26 -4.492 -5.842 14.659 1.00 0.00 C ATOM 328 CD2 LEU A 26 -5.077 -8.173 15.499 1.00 0.00 C ATOM 0 H LEU A 26 -7.009 -7.522 14.460 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.231 -5.931 12.330 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.259 -8.750 12.931 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.349 -7.441 12.203 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.420 -7.619 14.287 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.046 -5.664 15.638 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.924 -5.307 13.898 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.522 -5.486 14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.606 -7.896 16.442 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.149 -7.985 15.559 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.905 -9.232 15.305 1.00 0.00 H new ATOM 340 N GLY A 27 -7.244 -8.926 11.377 1.00 0.00 N ATOM 341 CA GLY A 27 -7.774 -9.621 10.248 1.00 0.00 C ATOM 342 C GLY A 27 -6.730 -10.455 9.554 1.00 0.00 C ATOM 343 O GLY A 27 -6.692 -10.517 8.327 1.00 0.00 O ATOM 0 H GLY A 27 -7.109 -9.493 12.214 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.594 -10.262 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.190 -8.902 9.543 1.00 0.00 H new ATOM 347 N PHE A 28 -5.865 -11.058 10.326 1.00 0.00 N ATOM 348 CA PHE A 28 -4.880 -11.978 9.806 1.00 0.00 C ATOM 349 C PHE A 28 -4.489 -12.935 10.912 1.00 0.00 C ATOM 350 O PHE A 28 -4.760 -12.674 12.088 1.00 0.00 O ATOM 351 CB PHE A 28 -3.627 -11.265 9.203 1.00 0.00 C ATOM 352 CG PHE A 28 -2.692 -10.592 10.186 1.00 0.00 C ATOM 353 CD1 PHE A 28 -2.918 -9.301 10.612 1.00 0.00 C ATOM 354 CD2 PHE A 28 -1.569 -11.256 10.662 1.00 0.00 C ATOM 355 CE1 PHE A 28 -2.049 -8.679 11.488 1.00 0.00 C ATOM 356 CE2 PHE A 28 -0.701 -10.642 11.538 1.00 0.00 C ATOM 357 CZ PHE A 28 -0.944 -9.351 11.952 1.00 0.00 C ATOM 0 H PHE A 28 -5.821 -10.927 11.337 1.00 0.00 H new ATOM 0 HA PHE A 28 -5.327 -12.522 8.974 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.055 -12.001 8.638 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.971 -10.514 8.492 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.787 -8.768 10.256 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.373 -12.268 10.341 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.238 -7.665 11.808 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.168 -11.172 11.899 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.267 -8.868 12.641 1.00 0.00 H new ATOM 367 N SER A 29 -3.891 -14.012 10.551 1.00 0.00 N ATOM 368 CA SER A 29 -3.480 -15.016 11.497 1.00 0.00 C ATOM 369 C SER A 29 -1.962 -15.145 11.439 1.00 0.00 C ATOM 370 O SER A 29 -1.392 -15.298 10.337 1.00 0.00 O ATOM 371 CB SER A 29 -4.142 -16.328 11.119 1.00 0.00 C ATOM 372 OG SER A 29 -5.561 -16.154 10.942 1.00 0.00 O ATOM 0 H SER A 29 -3.665 -14.235 9.582 1.00 0.00 H new ATOM 0 HA SER A 29 -3.774 -14.746 12.511 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.701 -16.711 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.956 -17.071 11.895 1.00 0.00 H new ATOM 0 HG SER A 29 -5.823 -16.485 10.058 1.00 0.00 H new ATOM 378 N VAL A 30 -1.308 -15.071 12.578 1.00 0.00 N ATOM 379 CA VAL A 30 0.128 -15.110 12.612 1.00 0.00 C ATOM 380 C VAL A 30 0.607 -16.294 13.479 1.00 0.00 C ATOM 381 O VAL A 30 0.017 -16.596 14.519 1.00 0.00 O ATOM 382 CB VAL A 30 0.701 -13.740 13.157 1.00 0.00 C ATOM 383 CG1 VAL A 30 1.016 -13.741 14.649 1.00 0.00 C ATOM 384 CG2 VAL A 30 1.881 -13.264 12.353 1.00 0.00 C ATOM 0 H VAL A 30 -1.754 -14.983 13.491 1.00 0.00 H new ATOM 0 HA VAL A 30 0.503 -15.255 11.599 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.113 -13.027 13.028 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.404 -12.765 14.940 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.107 -13.953 15.213 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.762 -14.506 14.863 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.243 -12.320 12.762 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.676 -14.008 12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.580 -13.118 11.316 1.00 0.00 H new ATOM 394 N GLN A 31 1.627 -16.979 13.030 1.00 0.00 N ATOM 395 CA GLN A 31 2.234 -18.038 13.804 1.00 0.00 C ATOM 396 C GLN A 31 3.733 -17.828 13.816 1.00 0.00 C ATOM 397 O GLN A 31 4.352 -17.697 12.766 1.00 0.00 O ATOM 398 CB GLN A 31 1.824 -19.440 13.296 1.00 0.00 C ATOM 399 CG GLN A 31 2.217 -19.768 11.865 1.00 0.00 C ATOM 400 CD GLN A 31 1.583 -21.064 11.380 1.00 0.00 C ATOM 401 OE1 GLN A 31 0.476 -21.059 10.843 1.00 0.00 O ATOM 402 NE2 GLN A 31 2.260 -22.161 11.551 1.00 0.00 N ATOM 0 H GLN A 31 2.061 -16.821 12.121 1.00 0.00 H new ATOM 0 HA GLN A 31 1.868 -17.996 14.830 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.266 -20.188 13.954 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.742 -19.536 13.386 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.916 -18.950 11.210 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.302 -19.848 11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.175 -22.131 12.000 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.876 -23.052 11.236 1.00 0.00 H new ATOM 411 N ASN A 32 4.292 -17.695 15.017 1.00 0.00 N ATOM 412 CA ASN A 32 5.732 -17.382 15.241 1.00 0.00 C ATOM 413 C ASN A 32 6.107 -16.010 14.691 1.00 0.00 C ATOM 414 O ASN A 32 7.285 -15.658 14.588 1.00 0.00 O ATOM 415 CB ASN A 32 6.672 -18.462 14.664 1.00 0.00 C ATOM 416 CG ASN A 32 6.533 -19.799 15.351 1.00 0.00 C ATOM 417 OD1 ASN A 32 5.785 -20.663 14.916 1.00 0.00 O ATOM 418 ND2 ASN A 32 7.215 -19.973 16.432 1.00 0.00 N ATOM 0 H ASN A 32 3.764 -17.800 15.884 1.00 0.00 H new ATOM 0 HA ASN A 32 5.868 -17.370 16.322 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.466 -18.584 13.601 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.704 -18.121 14.751 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.138 -20.850 16.948 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.831 -19.234 16.771 1.00 0.00 H new ATOM 425 N GLY A 33 5.100 -15.221 14.372 1.00 0.00 N ATOM 426 CA GLY A 33 5.343 -13.931 13.798 1.00 0.00 C ATOM 427 C GLY A 33 5.219 -13.972 12.299 1.00 0.00 C ATOM 428 O GLY A 33 5.402 -12.978 11.632 1.00 0.00 O ATOM 0 H GLY A 33 4.116 -15.456 14.503 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.635 -13.209 14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.340 -13.589 14.074 1.00 0.00 H new ATOM 432 N ILE A 34 4.882 -15.123 11.768 1.00 0.00 N ATOM 433 CA ILE A 34 4.729 -15.277 10.338 1.00 0.00 C ATOM 434 C ILE A 34 3.258 -15.372 9.994 1.00 0.00 C ATOM 435 O ILE A 34 2.539 -16.240 10.510 1.00 0.00 O ATOM 436 CB ILE A 34 5.503 -16.507 9.715 1.00 0.00 C ATOM 437 CG1 ILE A 34 7.041 -16.429 9.919 1.00 0.00 C ATOM 438 CG2 ILE A 34 5.221 -16.577 8.225 1.00 0.00 C ATOM 439 CD1 ILE A 34 7.546 -16.664 11.326 1.00 0.00 C ATOM 0 H ILE A 34 4.707 -15.972 12.306 1.00 0.00 H new ATOM 0 HA ILE A 34 5.183 -14.391 9.895 1.00 0.00 H new ATOM 0 HB ILE A 34 5.145 -17.396 10.234 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.510 -17.160 9.261 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.379 -15.445 9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.754 -17.424 7.793 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.150 -16.701 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 34 5.556 -15.656 7.748 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.633 -16.584 11.341 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.118 -15.918 11.996 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.251 -17.660 11.657 1.00 0.00 H new ATOM 451 N ILE A 35 2.817 -14.440 9.192 1.00 0.00 N ATOM 452 CA ILE A 35 1.461 -14.362 8.700 1.00 0.00 C ATOM 453 C ILE A 35 1.135 -15.594 7.867 1.00 0.00 C ATOM 454 O ILE A 35 1.762 -15.840 6.823 1.00 0.00 O ATOM 455 CB ILE A 35 1.308 -13.093 7.851 1.00 0.00 C ATOM 456 CG1 ILE A 35 1.634 -11.883 8.732 1.00 0.00 C ATOM 457 CG2 ILE A 35 -0.122 -12.990 7.277 1.00 0.00 C ATOM 458 CD1 ILE A 35 1.926 -10.637 7.970 1.00 0.00 C ATOM 0 H ILE A 35 3.411 -13.685 8.849 1.00 0.00 H new ATOM 0 HA ILE A 35 0.769 -14.322 9.541 1.00 0.00 H new ATOM 0 HB ILE A 35 1.994 -13.126 7.005 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.794 -11.698 9.402 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.494 -12.124 9.357 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.209 -12.083 6.678 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.326 -13.859 6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.841 -12.955 8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.147 -9.828 8.666 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.785 -10.801 7.320 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.060 -10.369 7.365 1.00 0.00 H new ATOM 470 N CYS A 36 0.185 -16.352 8.336 1.00 0.00 N ATOM 471 CA CYS A 36 -0.198 -17.587 7.712 1.00 0.00 C ATOM 472 C CYS A 36 -1.398 -17.365 6.790 1.00 0.00 C ATOM 473 O CYS A 36 -1.474 -17.938 5.705 1.00 0.00 O ATOM 474 CB CYS A 36 -0.531 -18.613 8.798 1.00 0.00 C ATOM 475 SG CYS A 36 -0.811 -20.297 8.211 1.00 0.00 S ATOM 0 H CYS A 36 -0.352 -16.127 9.173 1.00 0.00 H new ATOM 0 HA CYS A 36 0.626 -17.962 7.105 1.00 0.00 H new ATOM 0 HB2 CYS A 36 0.284 -18.629 9.521 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.422 -18.278 9.329 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.355 -21.143 9.086 1.00 0.00 H new ATOM 481 N SER A 37 -2.313 -16.524 7.210 1.00 0.00 N ATOM 482 CA SER A 37 -3.499 -16.243 6.440 1.00 0.00 C ATOM 483 C SER A 37 -3.963 -14.814 6.688 1.00 0.00 C ATOM 484 O SER A 37 -3.684 -14.246 7.751 1.00 0.00 O ATOM 485 CB SER A 37 -4.595 -17.267 6.777 1.00 0.00 C ATOM 486 OG SER A 37 -4.745 -17.417 8.189 1.00 0.00 O ATOM 0 H SER A 37 -2.256 -16.017 8.093 1.00 0.00 H new ATOM 0 HA SER A 37 -3.273 -16.333 5.378 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.541 -16.948 6.340 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.346 -18.230 6.331 1.00 0.00 H new ATOM 0 HG SER A 37 -5.449 -18.072 8.375 1.00 0.00 H new ATOM 492 N LEU A 38 -4.627 -14.241 5.712 1.00 0.00 N ATOM 493 CA LEU A 38 -5.111 -12.875 5.765 1.00 0.00 C ATOM 494 C LEU A 38 -6.605 -12.849 5.434 1.00 0.00 C ATOM 495 O LEU A 38 -7.082 -13.663 4.635 1.00 0.00 O ATOM 496 CB LEU A 38 -4.305 -12.042 4.748 1.00 0.00 C ATOM 497 CG LEU A 38 -4.685 -10.573 4.541 1.00 0.00 C ATOM 498 CD1 LEU A 38 -4.609 -9.799 5.834 1.00 0.00 C ATOM 499 CD2 LEU A 38 -3.760 -9.952 3.518 1.00 0.00 C ATOM 0 H LEU A 38 -4.852 -14.718 4.839 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.980 -12.455 6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.258 -12.074 5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.374 -12.541 3.782 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.714 -10.533 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.885 -8.760 5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.295 -10.235 6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.592 -9.842 6.224 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.030 -8.906 3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.731 -10.014 3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.851 -10.487 2.573 1.00 0.00 H new ATOM 511 N MET A 39 -7.341 -11.962 6.057 1.00 0.00 N ATOM 512 CA MET A 39 -8.756 -11.835 5.794 1.00 0.00 C ATOM 513 C MET A 39 -8.992 -10.772 4.726 1.00 0.00 C ATOM 514 O MET A 39 -8.686 -9.584 4.923 1.00 0.00 O ATOM 515 CB MET A 39 -9.528 -11.510 7.082 1.00 0.00 C ATOM 516 CG MET A 39 -11.046 -11.485 6.923 1.00 0.00 C ATOM 517 SD MET A 39 -11.908 -11.173 8.484 1.00 0.00 S ATOM 518 CE MET A 39 -11.369 -9.507 8.864 1.00 0.00 C ATOM 0 H MET A 39 -6.981 -11.312 6.756 1.00 0.00 H new ATOM 0 HA MET A 39 -9.130 -12.789 5.422 1.00 0.00 H new ATOM 0 HB2 MET A 39 -9.267 -12.247 7.842 1.00 0.00 H new ATOM 0 HB3 MET A 39 -9.198 -10.539 7.453 1.00 0.00 H new ATOM 0 HG2 MET A 39 -11.319 -10.714 6.202 1.00 0.00 H new ATOM 0 HG3 MET A 39 -11.380 -12.438 6.513 1.00 0.00 H new ATOM 0 HE1 MET A 39 -12.010 -9.085 9.637 1.00 0.00 H new ATOM 0 HE2 MET A 39 -10.339 -9.530 9.220 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.429 -8.891 7.966 1.00 0.00 H new ATOM 528 N ARG A 40 -9.513 -11.217 3.613 1.00 0.00 N ATOM 529 CA ARG A 40 -9.808 -10.398 2.454 1.00 0.00 C ATOM 530 C ARG A 40 -10.903 -9.404 2.802 1.00 0.00 C ATOM 531 O ARG A 40 -12.015 -9.787 3.177 1.00 0.00 O ATOM 532 CB ARG A 40 -10.234 -11.331 1.314 1.00 0.00 C ATOM 533 CG ARG A 40 -10.717 -10.708 -0.002 1.00 0.00 C ATOM 534 CD ARG A 40 -9.661 -9.888 -0.712 1.00 0.00 C ATOM 535 NE ARG A 40 -8.365 -10.573 -0.794 1.00 0.00 N ATOM 536 CZ ARG A 40 -7.875 -11.258 -1.837 1.00 0.00 C ATOM 537 NH1 ARG A 40 -8.567 -11.357 -2.976 1.00 0.00 N ATOM 538 NH2 ARG A 40 -6.675 -11.828 -1.731 1.00 0.00 N ATOM 0 H ARG A 40 -9.755 -12.199 3.478 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.934 -9.827 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.389 -11.979 1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.032 -11.971 1.690 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.055 -11.503 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -11.580 -10.074 0.202 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.007 -9.653 -1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.533 -8.940 -0.190 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.772 -10.522 0.034 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.479 -10.908 -3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.183 -11.881 -3.762 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.143 -11.740 -0.865 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.288 -12.353 -2.516 1.00 0.00 H new ATOM 552 N GLY A 41 -10.568 -8.146 2.705 1.00 0.00 N ATOM 553 CA GLY A 41 -11.485 -7.091 3.055 1.00 0.00 C ATOM 554 C GLY A 41 -11.190 -6.522 4.426 1.00 0.00 C ATOM 555 O GLY A 41 -11.680 -5.438 4.786 1.00 0.00 O ATOM 0 H GLY A 41 -9.656 -7.822 2.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.426 -6.296 2.311 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.505 -7.474 3.032 1.00 0.00 H new ATOM 559 N GLY A 42 -10.360 -7.218 5.179 1.00 0.00 N ATOM 560 CA GLY A 42 -10.038 -6.797 6.523 1.00 0.00 C ATOM 561 C GLY A 42 -9.000 -5.700 6.537 1.00 0.00 C ATOM 562 O GLY A 42 -8.277 -5.512 5.541 1.00 0.00 O ATOM 0 H GLY A 42 -9.898 -8.077 4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.943 -6.447 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.671 -7.651 7.093 1.00 0.00 H new ATOM 566 N ILE A 43 -8.912 -4.976 7.653 1.00 0.00 N ATOM 567 CA ILE A 43 -7.950 -3.877 7.799 1.00 0.00 C ATOM 568 C ILE A 43 -6.527 -4.279 7.517 1.00 0.00 C ATOM 569 O ILE A 43 -5.801 -3.509 6.918 1.00 0.00 O ATOM 570 CB ILE A 43 -8.028 -3.081 9.143 1.00 0.00 C ATOM 571 CG1 ILE A 43 -8.380 -3.958 10.354 1.00 0.00 C ATOM 572 CG2 ILE A 43 -8.914 -1.863 9.032 1.00 0.00 C ATOM 573 CD1 ILE A 43 -8.424 -3.196 11.682 1.00 0.00 C ATOM 0 H ILE A 43 -9.497 -5.130 8.474 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.276 -3.188 7.020 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.017 -2.720 9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.350 -4.425 10.182 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.649 -4.762 10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.938 -1.342 9.989 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.521 -1.196 8.265 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.924 -2.171 8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -8.679 -3.884 12.488 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.448 -2.752 11.879 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.176 -2.409 11.625 1.00 0.00 H new ATOM 585 N ALA A 44 -6.138 -5.486 7.919 1.00 0.00 N ATOM 586 CA ALA A 44 -4.790 -5.985 7.689 1.00 0.00 C ATOM 587 C ALA A 44 -4.443 -5.947 6.211 1.00 0.00 C ATOM 588 O ALA A 44 -3.378 -5.466 5.817 1.00 0.00 O ATOM 589 CB ALA A 44 -4.659 -7.387 8.246 1.00 0.00 C ATOM 0 H ALA A 44 -6.746 -6.141 8.411 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.082 -5.338 8.207 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.648 -7.755 8.071 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.860 -7.373 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.375 -8.043 7.751 1.00 0.00 H new ATOM 595 N GLU A 45 -5.365 -6.372 5.399 1.00 0.00 N ATOM 596 CA GLU A 45 -5.167 -6.401 3.976 1.00 0.00 C ATOM 597 C GLU A 45 -5.139 -4.988 3.414 1.00 0.00 C ATOM 598 O GLU A 45 -4.328 -4.665 2.542 1.00 0.00 O ATOM 599 CB GLU A 45 -6.260 -7.215 3.342 1.00 0.00 C ATOM 600 CG GLU A 45 -6.160 -7.321 1.853 1.00 0.00 C ATOM 601 CD GLU A 45 -7.171 -8.245 1.325 1.00 0.00 C ATOM 602 OE1 GLU A 45 -8.347 -7.847 1.215 1.00 0.00 O ATOM 603 OE2 GLU A 45 -6.813 -9.405 1.016 1.00 0.00 O ATOM 0 H GLU A 45 -6.278 -6.710 5.703 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.206 -6.864 3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.245 -8.218 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.223 -6.774 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.292 -6.336 1.405 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.165 -7.667 1.575 1.00 0.00 H new ATOM 610 N ARG A 46 -5.992 -4.146 3.950 1.00 0.00 N ATOM 611 CA ARG A 46 -6.067 -2.751 3.541 1.00 0.00 C ATOM 612 C ARG A 46 -4.772 -2.011 3.939 1.00 0.00 C ATOM 613 O ARG A 46 -4.298 -1.119 3.219 1.00 0.00 O ATOM 614 CB ARG A 46 -7.281 -2.081 4.191 1.00 0.00 C ATOM 615 CG ARG A 46 -8.611 -2.768 3.897 1.00 0.00 C ATOM 616 CD ARG A 46 -9.765 -2.043 4.571 1.00 0.00 C ATOM 617 NE ARG A 46 -11.060 -2.706 4.351 1.00 0.00 N ATOM 618 CZ ARG A 46 -12.172 -2.090 3.919 1.00 0.00 C ATOM 619 NH1 ARG A 46 -12.115 -0.865 3.415 1.00 0.00 N ATOM 620 NH2 ARG A 46 -13.332 -2.723 3.943 1.00 0.00 N ATOM 0 H ARG A 46 -6.655 -4.402 4.681 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.177 -2.704 2.458 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.131 -2.053 5.270 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.336 -1.047 3.850 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.777 -2.799 2.820 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.574 -3.801 4.244 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.572 -1.979 5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.816 -1.021 4.194 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.117 -3.707 4.541 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -11.220 -0.380 3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -12.967 -0.407 3.090 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.383 -3.681 4.290 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.176 -2.254 3.615 1.00 0.00 H new ATOM 634 N GLY A 47 -4.209 -2.419 5.073 1.00 0.00 N ATOM 635 CA GLY A 47 -2.984 -1.846 5.600 1.00 0.00 C ATOM 636 C GLY A 47 -1.749 -2.291 4.834 1.00 0.00 C ATOM 637 O GLY A 47 -0.699 -1.639 4.901 1.00 0.00 O ATOM 0 H GLY A 47 -4.597 -3.163 5.653 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.054 -0.759 5.568 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.878 -2.128 6.648 1.00 0.00 H new ATOM 641 N GLY A 48 -1.859 -3.401 4.120 1.00 0.00 N ATOM 642 CA GLY A 48 -0.752 -3.858 3.303 1.00 0.00 C ATOM 643 C GLY A 48 -0.090 -5.115 3.824 1.00 0.00 C ATOM 644 O GLY A 48 1.065 -5.405 3.479 1.00 0.00 O ATOM 0 H GLY A 48 -2.690 -3.992 4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.111 -4.040 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.007 -3.065 3.240 1.00 0.00 H new ATOM 648 N VAL A 49 -0.805 -5.858 4.658 1.00 0.00 N ATOM 649 CA VAL A 49 -0.312 -7.109 5.195 1.00 0.00 C ATOM 650 C VAL A 49 -0.287 -8.167 4.086 1.00 0.00 C ATOM 651 O VAL A 49 -1.139 -8.166 3.191 1.00 0.00 O ATOM 652 CB VAL A 49 -1.204 -7.575 6.393 1.00 0.00 C ATOM 653 CG1 VAL A 49 -0.938 -8.998 6.815 1.00 0.00 C ATOM 654 CG2 VAL A 49 -1.008 -6.672 7.586 1.00 0.00 C ATOM 0 H VAL A 49 -1.740 -5.607 4.978 1.00 0.00 H new ATOM 0 HA VAL A 49 0.703 -6.968 5.568 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.232 -7.519 6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.589 -9.258 7.650 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.135 -9.668 5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.103 -9.098 7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.637 -7.013 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.037 -6.698 7.894 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.282 -5.651 7.319 1.00 0.00 H new ATOM 664 N ARG A 50 0.705 -9.023 4.130 1.00 0.00 N ATOM 665 CA ARG A 50 0.866 -10.077 3.167 1.00 0.00 C ATOM 666 C ARG A 50 1.140 -11.360 3.861 1.00 0.00 C ATOM 667 O ARG A 50 1.844 -11.397 4.864 1.00 0.00 O ATOM 668 CB ARG A 50 2.012 -9.781 2.218 1.00 0.00 C ATOM 669 CG ARG A 50 1.767 -8.675 1.231 1.00 0.00 C ATOM 670 CD ARG A 50 0.712 -9.049 0.223 1.00 0.00 C ATOM 671 NE ARG A 50 0.826 -8.272 -1.009 1.00 0.00 N ATOM 672 CZ ARG A 50 -0.085 -8.283 -1.982 1.00 0.00 C ATOM 673 NH1 ARG A 50 -1.333 -8.692 -1.736 1.00 0.00 N ATOM 674 NH2 ARG A 50 0.227 -7.816 -3.174 1.00 0.00 N ATOM 0 H ARG A 50 1.431 -9.004 4.846 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.059 -10.149 2.595 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.893 -9.529 2.808 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.248 -10.691 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.459 -7.775 1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 50 2.696 -8.437 0.713 1.00 0.00 H new ATOM 0 HD2 ARG A 50 0.795 -10.111 -0.010 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.275 -8.894 0.658 1.00 0.00 H new ATOM 0 HE ARG A 50 1.652 -7.686 -1.132 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.594 -8.998 -0.799 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.025 -8.698 -2.485 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.162 -7.448 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.467 -7.822 -3.922 1.00 0.00 H new ATOM 688 N VAL A 51 0.595 -12.382 3.323 1.00 0.00 N ATOM 689 CA VAL A 51 0.768 -13.724 3.801 1.00 0.00 C ATOM 690 C VAL A 51 2.161 -14.213 3.427 1.00 0.00 C ATOM 691 O VAL A 51 2.684 -13.855 2.367 1.00 0.00 O ATOM 692 CB VAL A 51 -0.323 -14.618 3.191 1.00 0.00 C ATOM 693 CG1 VAL A 51 -0.064 -16.100 3.413 1.00 0.00 C ATOM 694 CG2 VAL A 51 -1.665 -14.246 3.768 1.00 0.00 C ATOM 0 H VAL A 51 -0.010 -12.319 2.504 1.00 0.00 H new ATOM 0 HA VAL A 51 0.674 -13.760 4.886 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.311 -14.448 2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.867 -16.682 2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.886 -16.376 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.025 -16.306 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.437 -14.882 3.334 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.647 -14.384 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.883 -13.203 3.539 1.00 0.00 H new ATOM 704 N GLY A 52 2.776 -14.974 4.312 1.00 0.00 N ATOM 705 CA GLY A 52 4.116 -15.445 4.061 1.00 0.00 C ATOM 706 C GLY A 52 5.109 -14.400 4.469 1.00 0.00 C ATOM 707 O GLY A 52 6.231 -14.348 3.977 1.00 0.00 O ATOM 0 H GLY A 52 2.372 -15.274 5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.297 -16.366 4.615 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.236 -15.680 3.003 1.00 0.00 H new ATOM 711 N HIS A 53 4.676 -13.537 5.337 1.00 0.00 N ATOM 712 CA HIS A 53 5.489 -12.482 5.840 1.00 0.00 C ATOM 713 C HIS A 53 5.744 -12.651 7.297 1.00 0.00 C ATOM 714 O HIS A 53 4.839 -12.958 8.061 1.00 0.00 O ATOM 715 CB HIS A 53 4.859 -11.111 5.589 1.00 0.00 C ATOM 716 CG HIS A 53 5.182 -10.498 4.265 1.00 0.00 C ATOM 717 ND1 HIS A 53 5.470 -9.154 4.096 1.00 0.00 N ATOM 718 CD2 HIS A 53 5.263 -11.043 3.043 1.00 0.00 C ATOM 719 CE1 HIS A 53 5.714 -8.920 2.831 1.00 0.00 C ATOM 720 NE2 HIS A 53 5.595 -10.047 2.175 1.00 0.00 N ATOM 0 H HIS A 53 3.731 -13.550 5.720 1.00 0.00 H new ATOM 0 HA HIS A 53 6.436 -12.531 5.302 1.00 0.00 H new ATOM 0 HB2 HIS A 53 3.776 -11.205 5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 53 5.183 -10.430 6.376 1.00 0.00 H new ATOM 0 HD1 HIS A 53 5.489 -8.456 4.840 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.096 -12.080 2.793 1.00 0.00 H new ATOM 0 HE1 HIS A 53 5.969 -7.962 2.402 1.00 0.00 H new ATOM 729 N ARG A 54 6.968 -12.459 7.673 1.00 0.00 N ATOM 730 CA ARG A 54 7.339 -12.483 9.047 1.00 0.00 C ATOM 731 C ARG A 54 7.298 -11.069 9.533 1.00 0.00 C ATOM 732 O ARG A 54 7.909 -10.189 8.912 1.00 0.00 O ATOM 733 CB ARG A 54 8.765 -13.013 9.262 1.00 0.00 C ATOM 734 CG ARG A 54 9.174 -12.924 10.720 1.00 0.00 C ATOM 735 CD ARG A 54 10.667 -12.928 10.937 1.00 0.00 C ATOM 736 NE ARG A 54 11.355 -14.187 10.676 1.00 0.00 N ATOM 737 CZ ARG A 54 12.028 -14.848 11.630 1.00 0.00 C ATOM 738 NH1 ARG A 54 11.697 -14.697 12.912 1.00 0.00 N ATOM 739 NH2 ARG A 54 12.951 -15.723 11.284 1.00 0.00 N ATOM 0 H ARG A 54 7.740 -12.281 7.031 1.00 0.00 H new ATOM 0 HA ARG A 54 6.655 -13.142 9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.824 -14.049 8.929 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.463 -12.441 8.651 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.757 -12.013 11.149 1.00 0.00 H new ATOM 0 HG3 ARG A 54 8.736 -13.762 11.262 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.107 -12.160 10.301 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.863 -12.639 11.969 1.00 0.00 H new ATOM 0 HE ARG A 54 11.323 -14.579 9.735 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.929 -14.077 13.171 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.211 -15.201 13.634 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.149 -15.893 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.468 -16.230 12.002 1.00 0.00 H new ATOM 753 N ILE A 55 6.571 -10.835 10.563 1.00 0.00 N ATOM 754 CA ILE A 55 6.547 -9.550 11.171 1.00 0.00 C ATOM 755 C ILE A 55 7.726 -9.447 12.097 1.00 0.00 C ATOM 756 O ILE A 55 7.919 -10.285 12.974 1.00 0.00 O ATOM 757 CB ILE A 55 5.278 -9.299 11.972 1.00 0.00 C ATOM 758 CG1 ILE A 55 4.050 -9.596 11.133 1.00 0.00 C ATOM 759 CG2 ILE A 55 5.252 -7.848 12.455 1.00 0.00 C ATOM 760 CD1 ILE A 55 2.789 -9.291 11.849 1.00 0.00 C ATOM 0 H ILE A 55 5.973 -11.529 11.012 1.00 0.00 H new ATOM 0 HA ILE A 55 6.583 -8.805 10.376 1.00 0.00 H new ATOM 0 HB ILE A 55 5.270 -9.964 12.836 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.092 -9.013 10.213 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.056 -10.647 10.845 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.342 -7.672 13.028 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.121 -7.659 13.086 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.275 -7.178 11.596 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.940 -9.521 11.205 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.730 -9.893 12.756 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.768 -8.234 12.114 1.00 0.00 H new ATOM 772 N ILE A 56 8.521 -8.462 11.877 1.00 0.00 N ATOM 773 CA ILE A 56 9.684 -8.270 12.654 1.00 0.00 C ATOM 774 C ILE A 56 9.529 -7.171 13.668 1.00 0.00 C ATOM 775 O ILE A 56 10.346 -7.056 14.591 1.00 0.00 O ATOM 776 CB ILE A 56 10.927 -8.043 11.800 1.00 0.00 C ATOM 777 CG1 ILE A 56 10.839 -6.724 11.078 1.00 0.00 C ATOM 778 CG2 ILE A 56 11.077 -9.189 10.803 1.00 0.00 C ATOM 779 CD1 ILE A 56 12.045 -6.419 10.279 1.00 0.00 C ATOM 0 H ILE A 56 8.379 -7.764 11.147 1.00 0.00 H new ATOM 0 HA ILE A 56 9.824 -9.203 13.200 1.00 0.00 H new ATOM 0 HB ILE A 56 11.804 -8.016 12.447 1.00 0.00 H new ATOM 0 HG12 ILE A 56 9.969 -6.733 10.422 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.682 -5.928 11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.965 -9.026 10.193 1.00 0.00 H new ATOM 0 HG22 ILE A 56 11.175 -10.131 11.343 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.198 -9.229 10.160 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.919 -5.456 9.784 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.915 -6.379 10.934 1.00 0.00 H new ATOM 0 HD13 ILE A 56 12.191 -7.197 9.529 1.00 0.00 H new ATOM 791 N GLU A 57 8.471 -6.384 13.548 1.00 0.00 N ATOM 792 CA GLU A 57 8.296 -5.270 14.466 1.00 0.00 C ATOM 793 C GLU A 57 6.880 -4.795 14.415 1.00 0.00 C ATOM 794 O GLU A 57 6.274 -4.832 13.363 1.00 0.00 O ATOM 795 CB GLU A 57 9.275 -4.129 14.127 1.00 0.00 C ATOM 796 CG GLU A 57 9.303 -3.005 15.138 1.00 0.00 C ATOM 797 CD GLU A 57 10.328 -1.954 14.817 1.00 0.00 C ATOM 798 OE1 GLU A 57 11.498 -2.098 15.222 1.00 0.00 O ATOM 799 OE2 GLU A 57 9.983 -0.961 14.153 1.00 0.00 O ATOM 0 H GLU A 57 7.740 -6.490 12.845 1.00 0.00 H new ATOM 0 HA GLU A 57 8.516 -5.604 15.480 1.00 0.00 H new ATOM 0 HB2 GLU A 57 10.279 -4.544 14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.010 -3.718 13.153 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.318 -2.542 15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.510 -3.417 16.126 1.00 0.00 H new ATOM 806 N ILE A 58 6.361 -4.396 15.552 1.00 0.00 N ATOM 807 CA ILE A 58 5.005 -3.913 15.698 1.00 0.00 C ATOM 808 C ILE A 58 4.995 -2.738 16.648 1.00 0.00 C ATOM 809 O ILE A 58 5.485 -2.852 17.764 1.00 0.00 O ATOM 810 CB ILE A 58 4.079 -5.010 16.290 1.00 0.00 C ATOM 811 CG1 ILE A 58 3.973 -6.196 15.341 1.00 0.00 C ATOM 812 CG2 ILE A 58 2.685 -4.444 16.595 1.00 0.00 C ATOM 813 CD1 ILE A 58 3.367 -7.415 15.964 1.00 0.00 C ATOM 0 H ILE A 58 6.884 -4.398 16.427 1.00 0.00 H new ATOM 0 HA ILE A 58 4.642 -3.628 14.711 1.00 0.00 H new ATOM 0 HB ILE A 58 4.521 -5.354 17.225 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.376 -5.906 14.477 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.968 -6.444 14.972 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.055 -5.232 17.009 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.772 -3.632 17.317 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.237 -4.066 15.676 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.325 -8.217 15.227 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.976 -7.732 16.811 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.359 -7.185 16.308 1.00 0.00 H new ATOM 825 N ASN A 59 4.510 -1.608 16.161 1.00 0.00 N ATOM 826 CA ASN A 59 4.260 -0.380 16.945 1.00 0.00 C ATOM 827 C ASN A 59 5.508 0.079 17.739 1.00 0.00 C ATOM 828 O ASN A 59 5.402 0.670 18.817 1.00 0.00 O ATOM 829 CB ASN A 59 3.044 -0.611 17.875 1.00 0.00 C ATOM 830 CG ASN A 59 2.266 0.667 18.198 1.00 0.00 C ATOM 831 OD1 ASN A 59 0.977 0.534 18.339 1.00 0.00 O flip ATOM 832 ND2 ASN A 59 2.808 1.755 18.279 1.00 0.00 N flip ATOM 0 H ASN A 59 4.267 -1.503 15.176 1.00 0.00 H new ATOM 0 HA ASN A 59 4.035 0.431 16.253 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.370 -1.328 17.406 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.390 -1.061 18.806 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.819 1.831 18.165 1.00 0.00 H new ATOM 0 HD22 ASN A 59 2.251 2.590 18.461 1.00 0.00 H new ATOM 839 N GLY A 60 6.682 -0.169 17.183 1.00 0.00 N ATOM 840 CA GLY A 60 7.900 0.267 17.827 1.00 0.00 C ATOM 841 C GLY A 60 8.649 -0.828 18.569 1.00 0.00 C ATOM 842 O GLY A 60 9.716 -0.569 19.140 1.00 0.00 O ATOM 0 H GLY A 60 6.813 -0.663 16.300 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.561 0.695 17.073 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.659 1.065 18.530 1.00 0.00 H new ATOM 846 N GLN A 61 8.128 -2.042 18.587 1.00 0.00 N ATOM 847 CA GLN A 61 8.839 -3.120 19.253 1.00 0.00 C ATOM 848 C GLN A 61 9.078 -4.267 18.306 1.00 0.00 C ATOM 849 O GLN A 61 8.171 -4.693 17.588 1.00 0.00 O ATOM 850 CB GLN A 61 8.144 -3.584 20.545 1.00 0.00 C ATOM 851 CG GLN A 61 6.812 -4.274 20.354 1.00 0.00 C ATOM 852 CD GLN A 61 6.229 -4.752 21.653 1.00 0.00 C ATOM 853 OE1 GLN A 61 5.460 -4.049 22.297 1.00 0.00 O ATOM 854 NE2 GLN A 61 6.643 -5.910 22.085 1.00 0.00 N ATOM 0 H GLN A 61 7.239 -2.303 18.161 1.00 0.00 H new ATOM 0 HA GLN A 61 9.807 -2.723 19.559 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.813 -4.263 21.073 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.996 -2.717 21.189 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.114 -3.587 19.876 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.937 -5.122 19.680 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.284 -6.466 21.519 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.326 -6.260 22.989 1.00 0.00 H new ATOM 863 N SER A 62 10.303 -4.724 18.258 1.00 0.00 N ATOM 864 CA SER A 62 10.673 -5.815 17.419 1.00 0.00 C ATOM 865 C SER A 62 10.143 -7.083 18.053 1.00 0.00 C ATOM 866 O SER A 62 10.615 -7.518 19.101 1.00 0.00 O ATOM 867 CB SER A 62 12.202 -5.871 17.237 1.00 0.00 C ATOM 868 OG SER A 62 12.574 -6.816 16.236 1.00 0.00 O ATOM 0 H SER A 62 11.072 -4.341 18.808 1.00 0.00 H new ATOM 0 HA SER A 62 10.245 -5.693 16.424 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.573 -4.884 16.963 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.673 -6.137 18.183 1.00 0.00 H new ATOM 0 HG SER A 62 11.825 -6.949 15.618 1.00 0.00 H new ATOM 874 N VAL A 63 9.144 -7.655 17.432 1.00 0.00 N ATOM 875 CA VAL A 63 8.463 -8.795 17.966 1.00 0.00 C ATOM 876 C VAL A 63 8.974 -10.048 17.302 1.00 0.00 C ATOM 877 O VAL A 63 8.402 -11.123 17.420 1.00 0.00 O ATOM 878 CB VAL A 63 6.955 -8.642 17.747 1.00 0.00 C ATOM 879 CG1 VAL A 63 6.472 -7.362 18.430 1.00 0.00 C ATOM 880 CG2 VAL A 63 6.638 -8.617 16.258 1.00 0.00 C ATOM 0 H VAL A 63 8.781 -7.336 16.534 1.00 0.00 H new ATOM 0 HA VAL A 63 8.653 -8.868 19.037 1.00 0.00 H new ATOM 0 HB VAL A 63 6.435 -9.493 18.186 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.399 -7.250 18.276 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.681 -7.418 19.498 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.991 -6.504 18.003 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.563 -8.508 16.117 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.152 -7.777 15.791 1.00 0.00 H new ATOM 0 HG23 VAL A 63 6.972 -9.548 15.799 1.00 0.00 H new ATOM 890 N VAL A 64 10.108 -9.902 16.674 1.00 0.00 N ATOM 891 CA VAL A 64 10.724 -10.949 15.916 1.00 0.00 C ATOM 892 C VAL A 64 11.321 -12.032 16.842 1.00 0.00 C ATOM 893 O VAL A 64 11.735 -13.097 16.397 1.00 0.00 O ATOM 894 CB VAL A 64 11.792 -10.342 14.992 1.00 0.00 C ATOM 895 CG1 VAL A 64 13.087 -10.019 15.701 1.00 0.00 C ATOM 896 CG2 VAL A 64 11.982 -11.152 13.750 1.00 0.00 C ATOM 0 H VAL A 64 10.639 -9.031 16.677 1.00 0.00 H new ATOM 0 HA VAL A 64 9.969 -11.442 15.304 1.00 0.00 H new ATOM 0 HB VAL A 64 11.405 -9.375 14.672 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.795 -9.594 14.990 1.00 0.00 H new ATOM 0 HG12 VAL A 64 12.896 -9.299 16.497 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.505 -10.930 16.129 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.745 -10.687 13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 64 12.297 -12.161 14.018 1.00 0.00 H new ATOM 0 HG23 VAL A 64 11.043 -11.200 13.199 1.00 0.00 H new ATOM 906 N ALA A 65 11.355 -11.737 18.124 1.00 0.00 N ATOM 907 CA ALA A 65 11.822 -12.669 19.119 1.00 0.00 C ATOM 908 C ALA A 65 10.784 -12.756 20.231 1.00 0.00 C ATOM 909 O ALA A 65 11.066 -13.198 21.346 1.00 0.00 O ATOM 910 CB ALA A 65 13.166 -12.226 19.656 1.00 0.00 C ATOM 0 H ALA A 65 11.057 -10.838 18.504 1.00 0.00 H new ATOM 0 HA ALA A 65 11.953 -13.657 18.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 13.510 -12.937 20.407 1.00 0.00 H new ATOM 0 HB2 ALA A 65 13.887 -12.183 18.840 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.070 -11.239 20.108 1.00 0.00 H new ATOM 916 N THR A 66 9.591 -12.336 19.905 1.00 0.00 N ATOM 917 CA THR A 66 8.484 -12.320 20.782 1.00 0.00 C ATOM 918 C THR A 66 7.611 -13.539 20.455 1.00 0.00 C ATOM 919 O THR A 66 7.502 -13.916 19.298 1.00 0.00 O ATOM 920 CB THR A 66 7.748 -10.984 20.545 1.00 0.00 C ATOM 921 OG1 THR A 66 8.660 -9.926 20.856 1.00 0.00 O ATOM 922 CG2 THR A 66 6.526 -10.820 21.395 1.00 0.00 C ATOM 0 H THR A 66 9.369 -11.982 18.974 1.00 0.00 H new ATOM 0 HA THR A 66 8.763 -12.384 21.834 1.00 0.00 H new ATOM 0 HB THR A 66 7.418 -10.966 19.506 1.00 0.00 H new ATOM 0 HG1 THR A 66 8.159 -9.101 21.025 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.058 -9.860 21.178 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.822 -11.624 21.180 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.807 -10.856 22.447 1.00 0.00 H new ATOM 930 N PRO A 67 7.096 -14.241 21.466 1.00 0.00 N ATOM 931 CA PRO A 67 6.253 -15.417 21.255 1.00 0.00 C ATOM 932 C PRO A 67 4.880 -15.072 20.667 1.00 0.00 C ATOM 933 O PRO A 67 4.391 -13.935 20.808 1.00 0.00 O ATOM 934 CB PRO A 67 6.106 -16.008 22.652 1.00 0.00 C ATOM 935 CG PRO A 67 6.316 -14.857 23.564 1.00 0.00 C ATOM 936 CD PRO A 67 7.321 -13.978 22.894 1.00 0.00 C ATOM 0 HA PRO A 67 6.697 -16.102 20.532 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.121 -16.453 22.794 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.839 -16.795 22.830 1.00 0.00 H new ATOM 0 HG2 PRO A 67 5.383 -14.321 23.737 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.677 -15.191 24.537 1.00 0.00 H new ATOM 0 HD2 PRO A 67 7.165 -12.928 23.140 1.00 0.00 H new ATOM 0 HD3 PRO A 67 8.339 -14.228 23.194 1.00 0.00 H new ATOM 944 N HIS A 68 4.278 -16.079 20.046 1.00 0.00 N ATOM 945 CA HIS A 68 2.978 -16.037 19.359 1.00 0.00 C ATOM 946 C HIS A 68 1.938 -15.260 20.148 1.00 0.00 C ATOM 947 O HIS A 68 1.358 -14.305 19.626 1.00 0.00 O ATOM 948 CB HIS A 68 2.488 -17.499 19.155 1.00 0.00 C ATOM 949 CG HIS A 68 1.200 -17.703 18.363 1.00 0.00 C ATOM 950 ND1 HIS A 68 1.103 -18.619 17.341 1.00 0.00 N ATOM 951 CD2 HIS A 68 -0.047 -17.166 18.490 1.00 0.00 C ATOM 952 CE1 HIS A 68 -0.125 -18.632 16.874 1.00 0.00 C ATOM 953 NE2 HIS A 68 -0.836 -17.764 17.550 1.00 0.00 N ATOM 0 H HIS A 68 4.704 -17.005 20.002 1.00 0.00 H new ATOM 0 HA HIS A 68 3.107 -15.527 18.404 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.282 -18.054 18.656 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.354 -17.950 20.138 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -0.352 -16.411 19.199 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.487 -19.254 16.068 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.825 -17.566 17.398 1.00 0.00 H new ATOM 962 N GLU A 69 1.702 -15.660 21.386 1.00 0.00 N ATOM 963 CA GLU A 69 0.650 -15.054 22.160 1.00 0.00 C ATOM 964 C GLU A 69 0.947 -13.603 22.454 1.00 0.00 C ATOM 965 O GLU A 69 0.054 -12.781 22.394 1.00 0.00 O ATOM 966 CB GLU A 69 0.364 -15.803 23.443 1.00 0.00 C ATOM 967 CG GLU A 69 -0.876 -15.288 24.148 1.00 0.00 C ATOM 968 CD GLU A 69 -1.162 -15.975 25.448 1.00 0.00 C ATOM 969 OE1 GLU A 69 -1.728 -17.091 25.432 1.00 0.00 O ATOM 970 OE2 GLU A 69 -0.861 -15.402 26.520 1.00 0.00 O ATOM 0 H GLU A 69 2.222 -16.394 21.866 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.248 -15.109 21.545 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.239 -16.863 23.222 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.221 -15.715 24.111 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.762 -14.219 24.330 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.735 -15.409 23.487 1.00 0.00 H new ATOM 977 N LYS A 70 2.209 -13.280 22.736 1.00 0.00 N ATOM 978 CA LYS A 70 2.565 -11.899 22.976 1.00 0.00 C ATOM 979 C LYS A 70 2.266 -11.060 21.788 1.00 0.00 C ATOM 980 O LYS A 70 1.564 -10.075 21.903 1.00 0.00 O ATOM 981 CB LYS A 70 4.009 -11.691 23.371 1.00 0.00 C ATOM 982 CG LYS A 70 4.250 -11.681 24.849 1.00 0.00 C ATOM 983 CD LYS A 70 5.440 -10.807 25.152 1.00 0.00 C ATOM 984 CE LYS A 70 5.664 -10.625 26.632 1.00 0.00 C ATOM 985 NZ LYS A 70 4.480 -10.079 27.337 1.00 0.00 N ATOM 0 H LYS A 70 2.980 -13.945 22.801 1.00 0.00 H new ATOM 0 HA LYS A 70 1.953 -11.595 23.825 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.613 -12.479 22.922 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.355 -10.746 22.952 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.368 -11.309 25.371 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.428 -12.695 25.207 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.332 -11.246 24.705 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.297 -9.831 24.687 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.931 -11.585 27.074 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.511 -9.956 26.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.756 -9.771 28.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.104 -9.268 26.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.749 -10.815 27.409 1.00 0.00 H new ATOM 999 N ILE A 71 2.757 -11.491 20.648 1.00 0.00 N ATOM 1000 CA ILE A 71 2.558 -10.801 19.385 1.00 0.00 C ATOM 1001 C ILE A 71 1.067 -10.505 19.170 1.00 0.00 C ATOM 1002 O ILE A 71 0.688 -9.372 18.869 1.00 0.00 O ATOM 1003 CB ILE A 71 3.126 -11.639 18.195 1.00 0.00 C ATOM 1004 CG1 ILE A 71 4.621 -11.910 18.409 1.00 0.00 C ATOM 1005 CG2 ILE A 71 2.928 -10.917 16.878 1.00 0.00 C ATOM 1006 CD1 ILE A 71 5.289 -12.691 17.294 1.00 0.00 C ATOM 0 H ILE A 71 3.314 -12.342 20.567 1.00 0.00 H new ATOM 0 HA ILE A 71 3.101 -9.857 19.422 1.00 0.00 H new ATOM 0 HB ILE A 71 2.584 -12.584 18.159 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.136 -10.957 18.526 1.00 0.00 H new ATOM 0 HG13 ILE A 71 4.747 -12.457 19.343 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.332 -11.522 16.067 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.864 -10.750 16.711 1.00 0.00 H new ATOM 0 HG23 ILE A 71 3.445 -9.958 16.907 1.00 0.00 H new ATOM 0 HD11 ILE A 71 6.343 -12.835 17.531 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.805 -13.662 17.189 1.00 0.00 H new ATOM 0 HD13 ILE A 71 5.200 -12.138 16.359 1.00 0.00 H new ATOM 1018 N VAL A 72 0.228 -11.494 19.435 1.00 0.00 N ATOM 1019 CA VAL A 72 -1.208 -11.338 19.261 1.00 0.00 C ATOM 1020 C VAL A 72 -1.806 -10.434 20.361 1.00 0.00 C ATOM 1021 O VAL A 72 -2.690 -9.621 20.097 1.00 0.00 O ATOM 1022 CB VAL A 72 -1.923 -12.723 19.245 1.00 0.00 C ATOM 1023 CG1 VAL A 72 -3.430 -12.575 19.105 1.00 0.00 C ATOM 1024 CG2 VAL A 72 -1.385 -13.578 18.109 1.00 0.00 C ATOM 0 H VAL A 72 0.516 -12.413 19.771 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.373 -10.857 18.297 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.718 -13.210 20.198 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.893 -13.562 19.098 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.818 -11.998 19.944 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.660 -12.059 18.173 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.892 -14.543 18.108 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.562 -13.074 17.159 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.314 -13.731 18.244 1.00 0.00 H new ATOM 1034 N HIS A 73 -1.261 -10.529 21.563 1.00 0.00 N ATOM 1035 CA HIS A 73 -1.769 -9.802 22.731 1.00 0.00 C ATOM 1036 C HIS A 73 -1.489 -8.316 22.568 1.00 0.00 C ATOM 1037 O HIS A 73 -2.322 -7.462 22.902 1.00 0.00 O ATOM 1038 CB HIS A 73 -1.082 -10.326 24.010 1.00 0.00 C ATOM 1039 CG HIS A 73 -1.691 -9.869 25.312 1.00 0.00 C ATOM 1040 ND1 HIS A 73 -2.473 -10.687 26.079 1.00 0.00 N ATOM 1041 CD2 HIS A 73 -1.592 -8.700 25.999 1.00 0.00 C ATOM 1042 CE1 HIS A 73 -2.835 -10.063 27.172 1.00 0.00 C ATOM 1043 NE2 HIS A 73 -2.317 -8.855 27.153 1.00 0.00 N ATOM 0 H HIS A 73 -0.450 -11.114 21.764 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.845 -9.958 22.814 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.094 -11.416 23.987 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.036 -10.018 23.991 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.047 -7.819 25.695 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.455 -10.472 27.957 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.435 -8.148 27.879 1.00 0.00 H new ATOM 1052 N ILE A 74 -0.318 -8.030 22.057 1.00 0.00 N ATOM 1053 CA ILE A 74 0.134 -6.694 21.816 1.00 0.00 C ATOM 1054 C ILE A 74 -0.651 -6.080 20.663 1.00 0.00 C ATOM 1055 O ILE A 74 -1.101 -4.927 20.752 1.00 0.00 O ATOM 1056 CB ILE A 74 1.636 -6.723 21.526 1.00 0.00 C ATOM 1057 CG1 ILE A 74 2.352 -7.198 22.794 1.00 0.00 C ATOM 1058 CG2 ILE A 74 2.132 -5.347 21.104 1.00 0.00 C ATOM 1059 CD1 ILE A 74 3.657 -7.874 22.530 1.00 0.00 C ATOM 0 H ILE A 74 0.361 -8.743 21.792 1.00 0.00 H new ATOM 0 HA ILE A 74 -0.036 -6.072 22.695 1.00 0.00 H new ATOM 0 HB ILE A 74 1.846 -7.405 20.702 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.522 -6.342 23.447 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.700 -7.885 23.333 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.202 -5.392 20.903 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.607 -5.031 20.203 1.00 0.00 H new ATOM 0 HG23 ILE A 74 1.943 -4.631 21.904 1.00 0.00 H new ATOM 0 HD11 ILE A 74 4.105 -8.182 23.475 1.00 0.00 H new ATOM 0 HD12 ILE A 74 3.492 -8.751 21.903 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.328 -7.183 22.019 1.00 0.00 H new ATOM 1071 N LEU A 75 -0.847 -6.867 19.598 1.00 0.00 N ATOM 1072 CA LEU A 75 -1.679 -6.439 18.461 1.00 0.00 C ATOM 1073 C LEU A 75 -3.095 -6.137 18.918 1.00 0.00 C ATOM 1074 O LEU A 75 -3.651 -5.093 18.591 1.00 0.00 O ATOM 1075 CB LEU A 75 -1.716 -7.504 17.356 1.00 0.00 C ATOM 1076 CG LEU A 75 -0.462 -7.650 16.500 1.00 0.00 C ATOM 1077 CD1 LEU A 75 -0.586 -8.867 15.594 1.00 0.00 C ATOM 1078 CD2 LEU A 75 -0.259 -6.398 15.657 1.00 0.00 C ATOM 0 H LEU A 75 -0.444 -7.799 19.498 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.228 -5.534 18.054 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.925 -8.468 17.820 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.554 -7.280 16.696 1.00 0.00 H new ATOM 0 HG LEU A 75 0.398 -7.782 17.156 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.314 -8.962 14.987 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.710 -9.763 16.203 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.452 -8.749 14.942 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.639 -6.510 15.049 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.122 -6.253 15.007 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.148 -5.533 16.311 1.00 0.00 H new ATOM 1090 N SER A 76 -3.645 -7.042 19.720 1.00 0.00 N ATOM 1091 CA SER A 76 -4.990 -6.939 20.266 1.00 0.00 C ATOM 1092 C SER A 76 -5.174 -5.653 21.080 1.00 0.00 C ATOM 1093 O SER A 76 -6.261 -5.111 21.125 1.00 0.00 O ATOM 1094 CB SER A 76 -5.317 -8.187 21.122 1.00 0.00 C ATOM 1095 OG SER A 76 -6.643 -8.157 21.673 1.00 0.00 O ATOM 0 H SER A 76 -3.155 -7.887 20.014 1.00 0.00 H new ATOM 0 HA SER A 76 -5.689 -6.894 19.431 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.204 -9.081 20.509 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.594 -8.264 21.934 1.00 0.00 H new ATOM 0 HG SER A 76 -6.796 -8.968 22.202 1.00 0.00 H new ATOM 1101 N ASN A 77 -4.115 -5.138 21.658 1.00 0.00 N ATOM 1102 CA ASN A 77 -4.225 -3.929 22.467 1.00 0.00 C ATOM 1103 C ASN A 77 -3.804 -2.672 21.736 1.00 0.00 C ATOM 1104 O ASN A 77 -3.976 -1.569 22.245 1.00 0.00 O ATOM 1105 CB ASN A 77 -3.486 -4.065 23.800 1.00 0.00 C ATOM 1106 CG ASN A 77 -4.277 -4.877 24.801 1.00 0.00 C ATOM 1107 OD1 ASN A 77 -5.062 -4.328 25.569 1.00 0.00 O ATOM 1108 ND2 ASN A 77 -4.099 -6.177 24.806 1.00 0.00 N ATOM 0 H ASN A 77 -3.174 -5.525 21.590 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.289 -3.818 22.678 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.518 -4.538 23.632 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -3.290 -3.074 24.210 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.620 -6.761 25.460 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.439 -6.604 24.156 1.00 0.00 H new ATOM 1115 N ALA A 78 -3.279 -2.808 20.545 1.00 0.00 N ATOM 1116 CA ALA A 78 -2.833 -1.638 19.814 1.00 0.00 C ATOM 1117 C ALA A 78 -3.834 -1.229 18.762 1.00 0.00 C ATOM 1118 O ALA A 78 -4.298 -2.063 17.999 1.00 0.00 O ATOM 1119 CB ALA A 78 -1.451 -1.855 19.193 1.00 0.00 C ATOM 0 H ALA A 78 -3.149 -3.698 20.063 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.751 -0.824 20.534 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.150 -0.957 18.653 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.727 -2.065 19.980 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.491 -2.697 18.502 1.00 0.00 H new ATOM 1125 N VAL A 79 -4.187 0.047 18.737 1.00 0.00 N ATOM 1126 CA VAL A 79 -5.080 0.570 17.721 1.00 0.00 C ATOM 1127 C VAL A 79 -4.400 1.813 17.111 1.00 0.00 C ATOM 1128 O VAL A 79 -3.297 2.173 17.545 1.00 0.00 O ATOM 1129 CB VAL A 79 -6.517 0.924 18.298 1.00 0.00 C ATOM 1130 CG1 VAL A 79 -6.912 0.008 19.376 1.00 0.00 C ATOM 1131 CG2 VAL A 79 -6.713 2.359 18.699 1.00 0.00 C ATOM 0 H VAL A 79 -3.866 0.740 19.413 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.253 -0.191 16.960 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.188 0.780 17.451 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.900 0.284 19.744 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.938 -1.013 18.995 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.191 0.072 20.191 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.725 2.496 19.079 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.995 2.621 19.476 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.561 3.003 17.833 1.00 0.00 H new ATOM 1141 N GLY A 80 -5.025 2.453 16.139 1.00 0.00 N ATOM 1142 CA GLY A 80 -4.447 3.625 15.523 1.00 0.00 C ATOM 1143 C GLY A 80 -3.489 3.236 14.443 1.00 0.00 C ATOM 1144 O GLY A 80 -3.638 2.155 13.858 1.00 0.00 O ATOM 0 H GLY A 80 -5.932 2.178 15.762 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.237 4.251 15.107 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -3.931 4.221 16.276 1.00 0.00 H new ATOM 1148 N GLU A 81 -2.522 4.094 14.172 1.00 0.00 N ATOM 1149 CA GLU A 81 -1.501 3.823 13.199 1.00 0.00 C ATOM 1150 C GLU A 81 -0.478 2.879 13.785 1.00 0.00 C ATOM 1151 O GLU A 81 0.292 3.240 14.693 1.00 0.00 O ATOM 1152 CB GLU A 81 -0.818 5.100 12.752 1.00 0.00 C ATOM 1153 CG GLU A 81 -1.709 6.075 12.028 1.00 0.00 C ATOM 1154 CD GLU A 81 -0.929 7.248 11.530 1.00 0.00 C ATOM 1155 OE1 GLU A 81 -0.666 8.183 12.305 1.00 0.00 O ATOM 1156 OE2 GLU A 81 -0.510 7.231 10.362 1.00 0.00 O ATOM 0 H GLU A 81 -2.430 5.002 14.628 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.972 3.365 12.329 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.397 5.595 13.627 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.016 4.840 12.101 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.195 5.575 11.190 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.499 6.417 12.697 1.00 0.00 H new ATOM 1163 N ILE A 82 -0.472 1.693 13.285 1.00 0.00 N ATOM 1164 CA ILE A 82 0.405 0.667 13.764 1.00 0.00 C ATOM 1165 C ILE A 82 1.397 0.341 12.682 1.00 0.00 C ATOM 1166 O ILE A 82 1.015 -0.088 11.592 1.00 0.00 O ATOM 1167 CB ILE A 82 -0.399 -0.605 14.130 1.00 0.00 C ATOM 1168 CG1 ILE A 82 -1.469 -0.264 15.175 1.00 0.00 C ATOM 1169 CG2 ILE A 82 0.534 -1.702 14.653 1.00 0.00 C ATOM 1170 CD1 ILE A 82 -2.437 -1.385 15.450 1.00 0.00 C ATOM 0 H ILE A 82 -1.081 1.398 12.522 1.00 0.00 H new ATOM 0 HA ILE A 82 0.921 1.019 14.658 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.891 -0.979 13.232 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.976 0.014 16.107 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.027 0.609 14.837 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.050 -2.587 14.905 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.264 -1.956 13.884 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.053 -1.345 15.543 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.161 -1.065 16.199 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.959 -1.649 14.530 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.892 -2.254 15.820 1.00 0.00 H new ATOM 1182 N HIS A 83 2.645 0.570 12.967 1.00 0.00 N ATOM 1183 CA HIS A 83 3.710 0.295 12.031 1.00 0.00 C ATOM 1184 C HIS A 83 4.236 -1.079 12.318 1.00 0.00 C ATOM 1185 O HIS A 83 4.708 -1.351 13.420 1.00 0.00 O ATOM 1186 CB HIS A 83 4.903 1.270 12.186 1.00 0.00 C ATOM 1187 CG HIS A 83 4.631 2.748 12.088 1.00 0.00 C ATOM 1188 ND1 HIS A 83 4.874 3.488 10.954 1.00 0.00 N ATOM 1189 CD2 HIS A 83 4.233 3.641 13.023 1.00 0.00 C ATOM 1190 CE1 HIS A 83 4.644 4.752 11.199 1.00 0.00 C ATOM 1191 NE2 HIS A 83 4.255 4.872 12.440 1.00 0.00 N ATOM 0 H HIS A 83 2.961 0.954 13.858 1.00 0.00 H new ATOM 0 HA HIS A 83 3.300 0.398 11.027 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.365 1.080 13.155 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.642 1.016 11.426 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.951 3.419 14.042 1.00 0.00 H new ATOM 0 HE1 HIS A 83 4.757 5.561 10.493 1.00 0.00 H new ATOM 0 HE2 HIS A 83 4.007 5.748 12.900 1.00 0.00 H new ATOM 1200 N MET A 84 4.138 -1.935 11.384 1.00 0.00 N ATOM 1201 CA MET A 84 4.716 -3.230 11.514 1.00 0.00 C ATOM 1202 C MET A 84 5.737 -3.370 10.445 1.00 0.00 C ATOM 1203 O MET A 84 5.652 -2.706 9.431 1.00 0.00 O ATOM 1204 CB MET A 84 3.709 -4.339 11.343 1.00 0.00 C ATOM 1205 CG MET A 84 2.486 -4.275 12.224 1.00 0.00 C ATOM 1206 SD MET A 84 1.478 -5.746 12.033 1.00 0.00 S ATOM 1207 CE MET A 84 1.540 -5.921 10.253 1.00 0.00 C ATOM 0 H MET A 84 3.656 -1.769 10.500 1.00 0.00 H new ATOM 0 HA MET A 84 5.135 -3.316 12.517 1.00 0.00 H new ATOM 0 HB2 MET A 84 3.381 -4.346 10.303 1.00 0.00 H new ATOM 0 HB3 MET A 84 4.212 -5.289 11.525 1.00 0.00 H new ATOM 0 HG2 MET A 84 2.789 -4.170 13.266 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.898 -3.392 11.973 1.00 0.00 H new ATOM 0 HE1 MET A 84 0.775 -6.627 9.930 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.360 -4.953 9.786 1.00 0.00 H new ATOM 0 HE3 MET A 84 2.522 -6.289 9.958 1.00 0.00 H new ATOM 1217 N LYS A 85 6.678 -4.207 10.633 1.00 0.00 N ATOM 1218 CA LYS A 85 7.677 -4.400 9.639 1.00 0.00 C ATOM 1219 C LYS A 85 7.623 -5.825 9.279 1.00 0.00 C ATOM 1220 O LYS A 85 7.723 -6.670 10.136 1.00 0.00 O ATOM 1221 CB LYS A 85 9.057 -4.049 10.170 1.00 0.00 C ATOM 1222 CG LYS A 85 9.227 -2.646 10.644 1.00 0.00 C ATOM 1223 CD LYS A 85 9.254 -1.671 9.507 1.00 0.00 C ATOM 1224 CE LYS A 85 9.730 -0.350 10.002 1.00 0.00 C ATOM 1225 NZ LYS A 85 9.741 0.700 8.960 1.00 0.00 N ATOM 0 H LYS A 85 6.786 -4.779 11.471 1.00 0.00 H new ATOM 0 HA LYS A 85 7.496 -3.755 8.779 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.292 -4.723 10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 85 9.788 -4.239 9.384 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.412 -2.391 11.322 1.00 0.00 H new ATOM 0 HG3 LYS A 85 10.153 -2.565 11.214 1.00 0.00 H new ATOM 0 HD2 LYS A 85 9.911 -2.034 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 85 8.259 -1.573 9.074 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.092 -0.028 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.737 -0.463 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.723 0.915 8.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 9.221 0.365 8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.286 1.560 9.329 1.00 0.00 H new ATOM 1239 N THR A 86 7.393 -6.096 8.070 1.00 0.00 N ATOM 1240 CA THR A 86 7.280 -7.452 7.650 1.00 0.00 C ATOM 1241 C THR A 86 8.310 -7.772 6.578 1.00 0.00 C ATOM 1242 O THR A 86 8.675 -6.909 5.792 1.00 0.00 O ATOM 1243 CB THR A 86 5.848 -7.774 7.144 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.559 -7.067 5.919 1.00 0.00 O ATOM 1245 CG2 THR A 86 4.802 -7.394 8.187 1.00 0.00 C ATOM 0 H THR A 86 7.275 -5.403 7.331 1.00 0.00 H new ATOM 0 HA THR A 86 7.475 -8.082 8.518 1.00 0.00 H new ATOM 0 HB THR A 86 5.807 -8.848 6.961 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.986 -6.185 5.942 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.808 -7.630 7.808 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.983 -7.954 9.104 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.867 -6.326 8.395 1.00 0.00 H new ATOM 1253 N MET A 87 8.794 -8.989 6.572 1.00 0.00 N ATOM 1254 CA MET A 87 9.744 -9.435 5.569 1.00 0.00 C ATOM 1255 C MET A 87 9.167 -10.699 4.959 1.00 0.00 C ATOM 1256 O MET A 87 8.213 -11.231 5.524 1.00 0.00 O ATOM 1257 CB MET A 87 11.131 -9.724 6.195 1.00 0.00 C ATOM 1258 CG MET A 87 11.713 -8.585 7.000 1.00 0.00 C ATOM 1259 SD MET A 87 13.493 -8.760 7.291 1.00 0.00 S ATOM 1260 CE MET A 87 13.586 -10.339 8.142 1.00 0.00 C ATOM 0 H MET A 87 8.545 -9.701 7.258 1.00 0.00 H new ATOM 0 HA MET A 87 9.895 -8.661 4.816 1.00 0.00 H new ATOM 0 HB2 MET A 87 11.048 -10.600 6.838 1.00 0.00 H new ATOM 0 HB3 MET A 87 11.828 -9.980 5.397 1.00 0.00 H new ATOM 0 HG2 MET A 87 11.526 -7.646 6.478 1.00 0.00 H new ATOM 0 HG3 MET A 87 11.198 -8.525 7.959 1.00 0.00 H new ATOM 0 HE1 MET A 87 14.310 -10.272 8.954 1.00 0.00 H new ATOM 0 HE2 MET A 87 12.607 -10.592 8.548 1.00 0.00 H new ATOM 0 HE3 MET A 87 13.898 -11.113 7.440 1.00 0.00 H new ATOM 1270 N PRO A 88 9.708 -11.233 3.834 1.00 0.00 N ATOM 1271 CA PRO A 88 9.190 -12.477 3.165 1.00 0.00 C ATOM 1272 C PRO A 88 9.466 -13.768 3.961 1.00 0.00 C ATOM 1273 O PRO A 88 9.745 -14.824 3.393 1.00 0.00 O ATOM 1274 CB PRO A 88 9.960 -12.507 1.842 1.00 0.00 C ATOM 1275 CG PRO A 88 10.539 -11.155 1.688 1.00 0.00 C ATOM 1276 CD PRO A 88 10.832 -10.677 3.067 1.00 0.00 C ATOM 0 HA PRO A 88 8.105 -12.445 3.063 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.740 -13.268 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.299 -12.748 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.446 -11.185 1.084 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.842 -10.487 1.183 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.793 -11.043 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 88 10.864 -9.589 3.122 1.00 0.00 H new ATOM 1284 N ALA A 89 9.336 -13.652 5.260 1.00 0.00 N ATOM 1285 CA ALA A 89 9.487 -14.720 6.217 1.00 0.00 C ATOM 1286 C ALA A 89 10.802 -15.448 6.125 1.00 0.00 C ATOM 1287 O ALA A 89 10.858 -16.667 5.906 1.00 0.00 O ATOM 1288 CB ALA A 89 8.292 -15.641 6.245 1.00 0.00 C ATOM 0 H ALA A 89 9.110 -12.761 5.702 1.00 0.00 H new ATOM 0 HA ALA A 89 9.519 -14.233 7.191 1.00 0.00 H new ATOM 0 HB1 ALA A 89 8.456 -16.428 6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 89 7.401 -15.073 6.513 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.154 -16.089 5.261 1.00 0.00 H new ATOM 1294 N ALA A 90 11.846 -14.671 6.236 1.00 0.00 N ATOM 1295 CA ALA A 90 13.187 -15.176 6.341 1.00 0.00 C ATOM 1296 C ALA A 90 13.281 -15.938 7.647 1.00 0.00 C ATOM 1297 O ALA A 90 13.853 -17.028 7.685 1.00 0.00 O ATOM 1298 CB ALA A 90 14.194 -14.032 6.308 1.00 0.00 C ATOM 1299 OXT ALA A 90 12.649 -15.491 8.625 1.00 0.00 O ATOM 0 H ALA A 90 11.787 -13.653 6.256 1.00 0.00 H new ATOM 0 HA ALA A 90 13.418 -15.831 5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.204 -14.434 6.389 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.094 -13.487 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.005 -13.356 7.142 1.00 0.00 H new