USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 853 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 107 TYR OH : rot -146:sc= -1.52 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.216 K(o=-1.7,f=-2.4) USER MOD Set 2.1: A 48 ASN : amide:sc= -1.78 K(o=-4.4,f=-2.4) USER MOD Set 2.2: A 79 GLN : amide:sc= -2.65! K(o=-4.4!,f=-2.3) USER MOD Set 3.1: A 30 SER OG : rot -28:sc= -0.59 USER MOD Set 3.2: A 33 ASN : amide:sc= -5.41 K(o=-6,f=-12!) USER MOD Single : A 1 MET CE :methyl 169:sc= -0.211 (180deg=-0.517) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.341 (180deg=-0.43) USER MOD Single : A 5 ASN : amide:sc= -3.17! K(o=-3.2!,f=-0.21) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.13) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 13:sc= 0.547 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -112:sc= -0.918 (180deg=-2.84!) USER MOD Single : A 32 SER OG : rot -40:sc= 1.09 USER MOD Single : A 50 GLN : amide:sc= -2.04! K(o=-2!,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ -116:sc= -0.688 (180deg=-1.13) USER MOD Single : A 66 SER OG : rot -33:sc= 0.646 USER MOD Single : A 71 SER OG : rot 89:sc= 0.0467 USER MOD Single : A 76 SER OG : rot 81:sc= 0.334 USER MOD Single : A 89 MET CE :methyl -169:sc= -4.21 (180deg=-4.52!) USER MOD Single : A 91 LYS NZ :NH3+ -163:sc= -0.0673 (180deg=-0.378) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -3.77! K(o=-3.8!,f=-2.3) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -21.866 4.494 1.285 1.00 0.00 N ATOM 2 CA MET A 1 -20.764 5.489 1.334 1.00 0.00 C ATOM 3 C MET A 1 -21.291 6.898 1.087 1.00 0.00 C ATOM 4 O MET A 1 -20.678 7.883 1.498 1.00 0.00 O ATOM 5 CB MET A 1 -19.695 5.144 0.293 1.00 0.00 C ATOM 6 CG MET A 1 -20.216 5.135 -1.137 1.00 0.00 C ATOM 7 SD MET A 1 -18.928 4.763 -2.343 1.00 0.00 S ATOM 8 CE MET A 1 -18.489 3.090 -1.877 1.00 0.00 C ATOM 0 H1 MET A 1 -21.494 3.552 1.523 1.00 0.00 H new ATOM 0 H2 MET A 1 -22.603 4.758 1.970 1.00 0.00 H new ATOM 0 H3 MET A 1 -22.273 4.474 0.328 1.00 0.00 H new ATOM 0 HA MET A 1 -20.321 5.456 2.329 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.880 5.864 0.369 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.277 4.164 0.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 -21.014 4.398 -1.224 1.00 0.00 H new ATOM 0 HG3 MET A 1 -20.653 6.107 -1.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.850 2.654 -2.645 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.956 3.105 -0.927 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.394 2.491 -1.776 1.00 0.00 H new ATOM 18 N ALA A 2 -22.433 6.985 0.411 1.00 0.00 N ATOM 19 CA ALA A 2 -23.047 8.271 0.107 1.00 0.00 C ATOM 20 C ALA A 2 -23.873 8.778 1.285 1.00 0.00 C ATOM 21 O ALA A 2 -23.624 9.864 1.808 1.00 0.00 O ATOM 22 CB ALA A 2 -23.910 8.160 -1.140 1.00 0.00 C ATOM 0 H ALA A 2 -22.951 6.178 0.063 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.251 8.992 -0.079 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -24.363 9.128 -1.356 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.292 7.852 -1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -24.694 7.421 -0.975 1.00 0.00 H new ATOM 28 N ASP A 3 -24.856 7.982 1.697 1.00 0.00 N ATOM 29 CA ASP A 3 -25.720 8.348 2.814 1.00 0.00 C ATOM 30 C ASP A 3 -25.359 7.555 4.067 1.00 0.00 C ATOM 31 O ASP A 3 -25.646 6.362 4.161 1.00 0.00 O ATOM 32 CB ASP A 3 -27.187 8.110 2.450 1.00 0.00 C ATOM 33 CG ASP A 3 -27.641 8.971 1.288 1.00 0.00 C ATOM 34 OD1 ASP A 3 -28.023 10.136 1.526 1.00 0.00 O ATOM 35 OD2 ASP A 3 -27.616 8.481 0.140 1.00 0.00 O ATOM 0 H ASP A 3 -25.074 7.080 1.274 1.00 0.00 H new ATOM 0 HA ASP A 3 -25.571 9.407 3.023 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -27.330 7.059 2.198 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -27.812 8.317 3.318 1.00 0.00 H new ATOM 40 N GLU A 4 -24.725 8.230 5.025 1.00 0.00 N ATOM 41 CA GLU A 4 -24.317 7.596 6.277 1.00 0.00 C ATOM 42 C GLU A 4 -23.407 6.400 6.018 1.00 0.00 C ATOM 43 O GLU A 4 -22.925 6.202 4.902 1.00 0.00 O ATOM 44 CB GLU A 4 -25.545 7.155 7.081 1.00 0.00 C ATOM 45 CG GLU A 4 -26.345 8.314 7.651 1.00 0.00 C ATOM 46 CD GLU A 4 -27.527 7.854 8.481 1.00 0.00 C ATOM 47 OE1 GLU A 4 -27.327 7.534 9.672 1.00 0.00 O ATOM 48 OE2 GLU A 4 -28.653 7.816 7.942 1.00 0.00 O ATOM 0 H GLU A 4 -24.482 9.218 4.957 1.00 0.00 H new ATOM 0 HA GLU A 4 -23.759 8.332 6.856 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -26.193 6.557 6.440 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -25.222 6.510 7.898 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -25.692 8.933 8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -26.702 8.941 6.834 1.00 0.00 H new ATOM 55 N ASN A 5 -23.174 5.608 7.059 1.00 0.00 N ATOM 56 CA ASN A 5 -22.319 4.433 6.952 1.00 0.00 C ATOM 57 C ASN A 5 -23.138 3.194 6.596 1.00 0.00 C ATOM 58 O ASN A 5 -23.275 2.274 7.404 1.00 0.00 O ATOM 59 CB ASN A 5 -21.563 4.202 8.263 1.00 0.00 C ATOM 60 CG ASN A 5 -20.495 5.251 8.519 1.00 0.00 C ATOM 61 OD1 ASN A 5 -19.470 4.967 9.140 1.00 0.00 O ATOM 62 ND2 ASN A 5 -20.726 6.472 8.048 1.00 0.00 N ATOM 0 H ASN A 5 -23.567 5.760 7.988 1.00 0.00 H new ATOM 0 HA ASN A 5 -21.598 4.611 6.154 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -22.272 4.202 9.091 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -21.099 3.216 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -20.042 7.214 8.196 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -21.588 6.667 7.538 1.00 0.00 H new ATOM 69 N LYS A 6 -23.684 3.181 5.384 1.00 0.00 N ATOM 70 CA LYS A 6 -24.486 2.055 4.917 1.00 0.00 C ATOM 71 C LYS A 6 -23.747 1.290 3.825 1.00 0.00 C ATOM 72 O LYS A 6 -22.834 1.825 3.195 1.00 0.00 O ATOM 73 CB LYS A 6 -25.837 2.543 4.388 1.00 0.00 C ATOM 74 CG LYS A 6 -26.687 3.250 5.434 1.00 0.00 C ATOM 75 CD LYS A 6 -27.148 2.297 6.528 1.00 0.00 C ATOM 76 CE LYS A 6 -28.123 1.257 5.993 1.00 0.00 C ATOM 77 NZ LYS A 6 -28.729 0.448 7.086 1.00 0.00 N ATOM 0 H LYS A 6 -23.586 3.938 4.707 1.00 0.00 H new ATOM 0 HA LYS A 6 -24.659 1.386 5.760 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -25.666 3.222 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -26.393 1.691 3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -26.114 4.063 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -27.556 3.699 4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -26.283 1.796 6.963 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -27.623 2.864 7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -28.912 1.755 5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -27.604 0.597 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -29.516 -0.115 6.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -28.010 -0.188 7.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -29.084 1.081 7.831 1.00 0.00 H new ATOM 91 N TRP A 7 -24.138 0.033 3.615 1.00 0.00 N ATOM 92 CA TRP A 7 -23.511 -0.812 2.598 1.00 0.00 C ATOM 93 C TRP A 7 -22.068 -1.152 2.985 1.00 0.00 C ATOM 94 O TRP A 7 -21.419 -1.982 2.343 1.00 0.00 O ATOM 95 CB TRP A 7 -23.587 -0.118 1.222 1.00 0.00 C ATOM 96 CG TRP A 7 -22.316 -0.160 0.423 1.00 0.00 C ATOM 97 CD1 TRP A 7 -21.269 0.713 0.506 1.00 0.00 C ATOM 98 CD2 TRP A 7 -21.964 -1.116 -0.585 1.00 0.00 C ATOM 99 NE1 TRP A 7 -20.284 0.354 -0.383 1.00 0.00 N ATOM 100 CE2 TRP A 7 -20.687 -0.764 -1.065 1.00 0.00 C ATOM 101 CE3 TRP A 7 -22.601 -2.236 -1.127 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -20.038 -1.491 -2.058 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -21.955 -2.957 -2.115 1.00 0.00 C ATOM 104 CH2 TRP A 7 -20.685 -2.582 -2.571 1.00 0.00 C ATOM 0 H TRP A 7 -24.887 -0.423 4.136 1.00 0.00 H new ATOM 0 HA TRP A 7 -24.054 -1.755 2.533 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -24.381 -0.584 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -23.871 0.924 1.372 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -21.222 1.561 1.173 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -19.397 0.841 -0.514 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -23.580 -2.533 -0.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -19.058 -1.204 -2.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -22.438 -3.824 -2.542 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -20.207 -3.166 -3.343 1.00 0.00 H new ATOM 115 N VAL A 8 -21.583 -0.523 4.054 1.00 0.00 N ATOM 116 CA VAL A 8 -20.224 -0.747 4.537 1.00 0.00 C ATOM 117 C VAL A 8 -19.899 -2.235 4.635 1.00 0.00 C ATOM 118 O VAL A 8 -18.894 -2.694 4.091 1.00 0.00 O ATOM 119 CB VAL A 8 -20.008 -0.089 5.914 1.00 0.00 C ATOM 120 CG1 VAL A 8 -19.696 1.390 5.752 1.00 0.00 C ATOM 121 CG2 VAL A 8 -21.227 -0.288 6.803 1.00 0.00 C ATOM 0 H VAL A 8 -22.116 0.150 4.605 1.00 0.00 H new ATOM 0 HA VAL A 8 -19.553 -0.289 3.810 1.00 0.00 H new ATOM 0 HB VAL A 8 -19.156 -0.570 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -19.546 1.840 6.733 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -18.790 1.508 5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -20.527 1.884 5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -21.053 0.184 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -22.099 0.163 6.330 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -21.403 -1.354 6.946 1.00 0.00 H new ATOM 131 N ARG A 9 -20.753 -2.983 5.326 1.00 0.00 N ATOM 132 CA ARG A 9 -20.552 -4.419 5.487 1.00 0.00 C ATOM 133 C ARG A 9 -21.752 -5.072 6.148 1.00 0.00 C ATOM 134 O ARG A 9 -21.741 -6.271 6.427 1.00 0.00 O ATOM 135 CB ARG A 9 -19.288 -4.694 6.306 1.00 0.00 C ATOM 136 CG ARG A 9 -19.303 -4.050 7.684 1.00 0.00 C ATOM 137 CD ARG A 9 -17.997 -4.290 8.423 1.00 0.00 C ATOM 138 NE ARG A 9 -18.017 -3.731 9.773 1.00 0.00 N ATOM 139 CZ ARG A 9 -16.952 -3.684 10.568 1.00 0.00 C ATOM 140 NH1 ARG A 9 -15.782 -4.143 10.144 1.00 0.00 N ATOM 141 NH2 ARG A 9 -17.055 -3.176 11.788 1.00 0.00 N ATOM 0 H ARG A 9 -21.589 -2.620 5.783 1.00 0.00 H new ATOM 0 HA ARG A 9 -20.433 -4.851 4.494 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -19.166 -5.771 6.419 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -18.421 -4.331 5.754 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -19.475 -2.978 7.584 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -20.132 -4.453 8.266 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.804 -5.361 8.478 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -17.176 -3.847 7.860 1.00 0.00 H new ATOM 0 HE ARG A 9 -18.898 -3.356 10.125 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.697 -4.534 9.206 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.967 -4.105 10.756 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.952 -2.820 12.118 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -16.237 -3.141 12.396 1.00 0.00 H new ATOM 155 N ARG A 10 -22.788 -4.283 6.399 1.00 0.00 N ATOM 156 CA ARG A 10 -23.996 -4.809 7.009 1.00 0.00 C ATOM 157 C ARG A 10 -24.613 -5.854 6.091 1.00 0.00 C ATOM 158 O ARG A 10 -25.195 -5.516 5.061 1.00 0.00 O ATOM 159 CB ARG A 10 -24.996 -3.684 7.280 1.00 0.00 C ATOM 160 CG ARG A 10 -24.440 -2.572 8.156 1.00 0.00 C ATOM 161 CD ARG A 10 -25.521 -1.583 8.555 1.00 0.00 C ATOM 162 NE ARG A 10 -26.526 -2.192 9.424 1.00 0.00 N ATOM 163 CZ ARG A 10 -27.447 -1.499 10.086 1.00 0.00 C ATOM 164 NH1 ARG A 10 -27.489 -0.176 9.984 1.00 0.00 N ATOM 165 NH2 ARG A 10 -28.329 -2.127 10.851 1.00 0.00 N ATOM 0 H ARG A 10 -22.814 -3.285 6.191 1.00 0.00 H new ATOM 0 HA ARG A 10 -23.740 -5.272 7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -25.318 -3.259 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -25.881 -4.104 7.758 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -23.991 -3.003 9.051 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -23.647 -2.049 7.622 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -25.066 -0.735 9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -26.004 -1.193 7.659 1.00 0.00 H new ATOM 0 HE ARG A 10 -26.520 -3.207 9.528 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -26.813 0.312 9.396 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -28.197 0.353 10.493 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -28.301 -3.143 10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -29.035 -1.594 11.358 1.00 0.00 H new ATOM 179 N ASP A 11 -24.455 -7.125 6.460 1.00 0.00 N ATOM 180 CA ASP A 11 -24.987 -8.234 5.672 1.00 0.00 C ATOM 181 C ASP A 11 -24.227 -8.398 4.359 1.00 0.00 C ATOM 182 O ASP A 11 -24.583 -9.235 3.530 1.00 0.00 O ATOM 183 CB ASP A 11 -26.471 -8.022 5.380 1.00 0.00 C ATOM 184 CG ASP A 11 -27.336 -8.181 6.614 1.00 0.00 C ATOM 185 OD1 ASP A 11 -27.516 -7.186 7.347 1.00 0.00 O ATOM 186 OD2 ASP A 11 -27.837 -9.302 6.847 1.00 0.00 O ATOM 0 H ASP A 11 -23.960 -7.412 7.304 1.00 0.00 H new ATOM 0 HA ASP A 11 -24.861 -9.143 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -26.617 -7.025 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -26.793 -8.734 4.620 1.00 0.00 H new ATOM 191 N VAL A 12 -23.181 -7.600 4.173 1.00 0.00 N ATOM 192 CA VAL A 12 -22.385 -7.665 2.952 1.00 0.00 C ATOM 193 C VAL A 12 -21.248 -8.673 3.086 1.00 0.00 C ATOM 194 O VAL A 12 -21.251 -9.712 2.425 1.00 0.00 O ATOM 195 CB VAL A 12 -21.795 -6.289 2.585 1.00 0.00 C ATOM 196 CG1 VAL A 12 -21.162 -6.332 1.203 1.00 0.00 C ATOM 197 CG2 VAL A 12 -22.867 -5.211 2.656 1.00 0.00 C ATOM 0 H VAL A 12 -22.865 -6.904 4.848 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.059 -7.985 2.157 1.00 0.00 H new ATOM 0 HB VAL A 12 -21.018 -6.043 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -20.751 -5.352 0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -20.363 -7.074 1.192 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -21.918 -6.601 0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -22.431 -4.247 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -23.669 -5.449 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -23.269 -5.164 3.668 1.00 0.00 H new ATOM 207 N SER A 13 -20.275 -8.355 3.940 1.00 0.00 N ATOM 208 CA SER A 13 -19.122 -9.226 4.166 1.00 0.00 C ATOM 209 C SER A 13 -18.292 -9.379 2.895 1.00 0.00 C ATOM 210 O SER A 13 -18.774 -9.115 1.793 1.00 0.00 O ATOM 211 CB SER A 13 -19.578 -10.601 4.665 1.00 0.00 C ATOM 212 OG SER A 13 -20.318 -10.487 5.867 1.00 0.00 O ATOM 0 H SER A 13 -20.263 -7.496 4.489 1.00 0.00 H new ATOM 0 HA SER A 13 -18.497 -8.762 4.929 1.00 0.00 H new ATOM 0 HB2 SER A 13 -20.189 -11.084 3.902 1.00 0.00 H new ATOM 0 HB3 SER A 13 -18.709 -11.239 4.828 1.00 0.00 H new ATOM 0 HG SER A 13 -20.599 -11.378 6.164 1.00 0.00 H new ATOM 218 N THR A 14 -17.040 -9.803 3.059 1.00 0.00 N ATOM 219 CA THR A 14 -16.132 -9.992 1.929 1.00 0.00 C ATOM 220 C THR A 14 -16.163 -8.785 0.994 1.00 0.00 C ATOM 221 O THR A 14 -16.018 -8.921 -0.221 1.00 0.00 O ATOM 222 CB THR A 14 -16.483 -11.263 1.132 1.00 0.00 C ATOM 223 OG1 THR A 14 -17.814 -11.172 0.610 1.00 0.00 O ATOM 224 CG2 THR A 14 -16.362 -12.499 2.010 1.00 0.00 C ATOM 0 H THR A 14 -16.630 -10.023 3.967 1.00 0.00 H new ATOM 0 HA THR A 14 -15.129 -10.101 2.341 1.00 0.00 H new ATOM 0 HB THR A 14 -15.779 -11.349 0.305 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.133 -10.249 0.687 1.00 0.00 H new ATOM 0 HG21 THR A 14 -16.614 -13.385 1.428 1.00 0.00 H new ATOM 0 HG22 THR A 14 -15.340 -12.585 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 14 -17.045 -12.413 2.855 1.00 0.00 H new ATOM 232 N ALA A 15 -16.342 -7.604 1.576 1.00 0.00 N ATOM 233 CA ALA A 15 -16.399 -6.367 0.806 1.00 0.00 C ATOM 234 C ALA A 15 -15.005 -5.840 0.487 1.00 0.00 C ATOM 235 O ALA A 15 -14.862 -4.821 -0.188 1.00 0.00 O ATOM 236 CB ALA A 15 -17.203 -5.316 1.557 1.00 0.00 C ATOM 0 H ALA A 15 -16.450 -7.477 2.582 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.894 -6.586 -0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -17.238 -4.397 0.971 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -18.217 -5.681 1.720 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.731 -5.115 2.519 1.00 0.00 H new ATOM 242 N LEU A 16 -13.980 -6.536 0.976 1.00 0.00 N ATOM 243 CA LEU A 16 -12.595 -6.130 0.745 1.00 0.00 C ATOM 244 C LEU A 16 -12.333 -5.845 -0.732 1.00 0.00 C ATOM 245 O LEU A 16 -11.360 -5.175 -1.079 1.00 0.00 O ATOM 246 CB LEU A 16 -11.623 -7.204 1.247 1.00 0.00 C ATOM 247 CG LEU A 16 -11.639 -8.522 0.469 1.00 0.00 C ATOM 248 CD1 LEU A 16 -10.361 -9.305 0.728 1.00 0.00 C ATOM 249 CD2 LEU A 16 -12.856 -9.353 0.847 1.00 0.00 C ATOM 0 H LEU A 16 -14.083 -7.383 1.534 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.430 -5.210 1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.612 -6.797 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.851 -7.416 2.292 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.697 -8.293 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.387 -10.240 0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.502 -8.715 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.277 -9.522 1.793 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.849 -10.286 0.283 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.829 -9.574 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.764 -8.796 0.615 1.00 0.00 H new ATOM 261 N SER A 17 -13.204 -6.355 -1.597 1.00 0.00 N ATOM 262 CA SER A 17 -13.064 -6.148 -3.034 1.00 0.00 C ATOM 263 C SER A 17 -13.300 -4.683 -3.399 1.00 0.00 C ATOM 264 O SER A 17 -12.488 -4.073 -4.095 1.00 0.00 O ATOM 265 CB SER A 17 -14.043 -7.042 -3.795 1.00 0.00 C ATOM 266 OG SER A 17 -13.893 -6.887 -5.197 1.00 0.00 O ATOM 0 H SER A 17 -14.014 -6.914 -1.328 1.00 0.00 H new ATOM 0 HA SER A 17 -12.046 -6.413 -3.318 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.877 -8.084 -3.521 1.00 0.00 H new ATOM 0 HB3 SER A 17 -15.065 -6.796 -3.506 1.00 0.00 H new ATOM 0 HG SER A 17 -14.529 -7.471 -5.661 1.00 0.00 H new ATOM 272 N ARG A 18 -14.414 -4.125 -2.930 1.00 0.00 N ATOM 273 CA ARG A 18 -14.747 -2.731 -3.214 1.00 0.00 C ATOM 274 C ARG A 18 -15.339 -2.036 -1.988 1.00 0.00 C ATOM 275 O ARG A 18 -16.542 -1.771 -1.937 1.00 0.00 O ATOM 276 CB ARG A 18 -15.736 -2.640 -4.379 1.00 0.00 C ATOM 277 CG ARG A 18 -15.204 -3.196 -5.690 1.00 0.00 C ATOM 278 CD ARG A 18 -16.226 -3.041 -6.805 1.00 0.00 C ATOM 279 NE ARG A 18 -15.740 -3.567 -8.078 1.00 0.00 N ATOM 280 CZ ARG A 18 -16.527 -3.821 -9.119 1.00 0.00 C ATOM 281 NH1 ARG A 18 -17.832 -3.596 -9.038 1.00 0.00 N ATOM 282 NH2 ARG A 18 -16.009 -4.299 -10.242 1.00 0.00 N ATOM 0 H ARG A 18 -15.099 -4.614 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.820 -2.225 -3.485 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.646 -3.177 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.013 -1.596 -4.525 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.284 -2.679 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.953 -4.249 -5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.145 -3.558 -6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.476 -1.987 -6.922 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.741 -3.750 -8.174 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -18.233 -3.227 -8.176 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.434 -3.792 -9.838 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.006 -4.472 -10.308 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.614 -4.494 -11.040 1.00 0.00 H new ATOM 296 N MET A 19 -14.497 -1.755 -0.997 1.00 0.00 N ATOM 297 CA MET A 19 -14.947 -1.076 0.214 1.00 0.00 C ATOM 298 C MET A 19 -13.981 0.043 0.591 1.00 0.00 C ATOM 299 O MET A 19 -14.398 1.147 0.946 1.00 0.00 O ATOM 300 CB MET A 19 -15.075 -2.064 1.373 1.00 0.00 C ATOM 301 CG MET A 19 -16.372 -1.929 2.156 1.00 0.00 C ATOM 302 SD MET A 19 -16.629 -0.268 2.813 1.00 0.00 S ATOM 303 CE MET A 19 -17.701 0.438 1.564 1.00 0.00 C ATOM 0 H MET A 19 -13.504 -1.986 -1.009 1.00 0.00 H new ATOM 0 HA MET A 19 -15.927 -0.644 0.013 1.00 0.00 H new ATOM 0 HB2 MET A 19 -15.002 -3.079 0.982 1.00 0.00 H new ATOM 0 HB3 MET A 19 -14.235 -1.923 2.053 1.00 0.00 H new ATOM 0 HG2 MET A 19 -17.209 -2.192 1.509 1.00 0.00 H new ATOM 0 HG3 MET A 19 -16.369 -2.643 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.166 1.221 1.026 1.00 0.00 H new ATOM 0 HE2 MET A 19 -18.006 -0.340 0.864 1.00 0.00 H new ATOM 0 HE3 MET A 19 -18.584 0.864 2.041 1.00 0.00 H new ATOM 313 N GLY A 20 -12.686 -0.253 0.510 1.00 0.00 N ATOM 314 CA GLY A 20 -11.672 0.733 0.833 1.00 0.00 C ATOM 315 C GLY A 20 -11.477 0.926 2.327 1.00 0.00 C ATOM 316 O GLY A 20 -10.510 0.428 2.903 1.00 0.00 O ATOM 0 H GLY A 20 -12.321 -1.162 0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.725 0.430 0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.946 1.687 0.383 1.00 0.00 H new ATOM 320 N ASP A 21 -12.398 1.653 2.954 1.00 0.00 N ATOM 321 CA ASP A 21 -12.315 1.931 4.385 1.00 0.00 C ATOM 322 C ASP A 21 -12.533 0.673 5.219 1.00 0.00 C ATOM 323 O ASP A 21 -11.606 0.176 5.859 1.00 0.00 O ATOM 324 CB ASP A 21 -13.338 2.997 4.775 1.00 0.00 C ATOM 325 CG ASP A 21 -13.123 4.303 4.036 1.00 0.00 C ATOM 326 OD1 ASP A 21 -13.484 4.376 2.842 1.00 0.00 O ATOM 327 OD2 ASP A 21 -12.595 5.254 4.651 1.00 0.00 O ATOM 0 H ASP A 21 -13.211 2.061 2.493 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.310 2.298 4.591 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.342 2.626 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.280 3.177 5.849 1.00 0.00 H new ATOM 332 N GLU A 22 -13.762 0.166 5.217 1.00 0.00 N ATOM 333 CA GLU A 22 -14.091 -1.036 5.978 1.00 0.00 C ATOM 334 C GLU A 22 -13.285 -2.227 5.476 1.00 0.00 C ATOM 335 O GLU A 22 -13.331 -3.310 6.056 1.00 0.00 O ATOM 336 CB GLU A 22 -15.583 -1.344 5.867 1.00 0.00 C ATOM 337 CG GLU A 22 -16.475 -0.182 6.260 1.00 0.00 C ATOM 338 CD GLU A 22 -16.474 0.080 7.753 1.00 0.00 C ATOM 339 OE1 GLU A 22 -17.230 -0.604 8.476 1.00 0.00 O ATOM 340 OE2 GLU A 22 -15.717 0.967 8.200 1.00 0.00 O ATOM 0 H GLU A 22 -14.544 0.566 4.699 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.839 -0.855 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -15.810 -1.634 4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.817 -2.200 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.145 0.716 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.494 -0.385 5.932 1.00 0.00 H new ATOM 347 N ALA A 23 -12.554 -2.014 4.388 1.00 0.00 N ATOM 348 CA ALA A 23 -11.738 -3.061 3.798 1.00 0.00 C ATOM 349 C ALA A 23 -10.284 -2.946 4.237 1.00 0.00 C ATOM 350 O ALA A 23 -9.554 -3.932 4.235 1.00 0.00 O ATOM 351 CB ALA A 23 -11.837 -3.003 2.282 1.00 0.00 C ATOM 0 H ALA A 23 -12.512 -1.121 3.897 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.116 -4.022 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.222 -3.791 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.875 -3.143 1.980 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.485 -2.033 1.931 1.00 0.00 H new ATOM 357 N PHE A 24 -9.880 -1.743 4.642 1.00 0.00 N ATOM 358 CA PHE A 24 -8.510 -1.490 5.069 1.00 0.00 C ATOM 359 C PHE A 24 -7.981 -2.621 5.937 1.00 0.00 C ATOM 360 O PHE A 24 -6.939 -3.205 5.640 1.00 0.00 O ATOM 361 CB PHE A 24 -8.426 -0.160 5.818 1.00 0.00 C ATOM 362 CG PHE A 24 -7.020 0.332 5.992 1.00 0.00 C ATOM 363 CD1 PHE A 24 -6.087 0.174 4.980 1.00 0.00 C ATOM 364 CD2 PHE A 24 -6.628 0.945 7.170 1.00 0.00 C ATOM 365 CE1 PHE A 24 -4.793 0.615 5.137 1.00 0.00 C ATOM 366 CE2 PHE A 24 -5.334 1.393 7.333 1.00 0.00 C ATOM 367 CZ PHE A 24 -4.414 1.226 6.315 1.00 0.00 C ATOM 0 H PHE A 24 -10.488 -0.925 4.682 1.00 0.00 H new ATOM 0 HA PHE A 24 -7.886 -1.435 4.177 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.003 0.591 5.278 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.889 -0.273 6.798 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.379 -0.302 4.055 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.343 1.074 7.969 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.076 0.483 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.040 1.873 8.254 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.399 1.573 6.441 1.00 0.00 H new ATOM 377 N GLU A 25 -8.687 -2.923 7.016 1.00 0.00 N ATOM 378 CA GLU A 25 -8.280 -4.004 7.899 1.00 0.00 C ATOM 379 C GLU A 25 -8.322 -5.344 7.160 1.00 0.00 C ATOM 380 O GLU A 25 -7.300 -6.018 7.069 1.00 0.00 O ATOM 381 CB GLU A 25 -9.164 -4.054 9.138 1.00 0.00 C ATOM 382 CG GLU A 25 -8.409 -3.843 10.438 1.00 0.00 C ATOM 383 CD GLU A 25 -9.301 -3.974 11.657 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.943 -2.972 12.034 1.00 0.00 O ATOM 385 OE2 GLU A 25 -9.357 -5.081 12.235 1.00 0.00 O ATOM 0 H GLU A 25 -9.539 -2.438 7.300 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.255 -3.814 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.939 -3.292 9.051 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.669 -5.020 9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.599 -4.569 10.505 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.951 -2.854 10.432 1.00 0.00 H new ATOM 392 N PRO A 26 -9.502 -5.756 6.621 1.00 0.00 N ATOM 393 CA PRO A 26 -9.637 -7.016 5.884 1.00 0.00 C ATOM 394 C PRO A 26 -8.447 -7.287 4.971 1.00 0.00 C ATOM 395 O PRO A 26 -8.034 -8.433 4.801 1.00 0.00 O ATOM 396 CB PRO A 26 -10.905 -6.797 5.067 1.00 0.00 C ATOM 397 CG PRO A 26 -11.747 -5.923 5.928 1.00 0.00 C ATOM 398 CD PRO A 26 -10.796 -5.039 6.697 1.00 0.00 C ATOM 0 HA PRO A 26 -9.680 -7.881 6.546 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.686 -6.322 4.111 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.405 -7.740 4.847 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.430 -5.326 5.324 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.358 -6.519 6.606 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -10.728 -4.045 6.255 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -11.120 -4.907 7.729 1.00 0.00 H new ATOM 406 N LEU A 27 -7.911 -6.225 4.376 1.00 0.00 N ATOM 407 CA LEU A 27 -6.755 -6.333 3.504 1.00 0.00 C ATOM 408 C LEU A 27 -5.623 -7.069 4.215 1.00 0.00 C ATOM 409 O LEU A 27 -5.128 -8.090 3.736 1.00 0.00 O ATOM 410 CB LEU A 27 -6.298 -4.931 3.115 1.00 0.00 C ATOM 411 CG LEU A 27 -6.840 -4.392 1.787 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.298 -5.198 0.619 1.00 0.00 C ATOM 413 CD2 LEU A 27 -8.363 -4.387 1.765 1.00 0.00 C ATOM 0 H LEU A 27 -8.265 -5.275 4.486 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.025 -6.896 2.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.588 -4.243 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.209 -4.925 3.069 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.501 -3.361 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.695 -4.799 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.210 -5.134 0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.599 -6.240 0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.712 -3.999 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.732 -5.404 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.736 -3.755 2.571 1.00 0.00 H new ATOM 425 N LEU A 28 -5.225 -6.534 5.364 1.00 0.00 N ATOM 426 CA LEU A 28 -4.162 -7.124 6.171 1.00 0.00 C ATOM 427 C LEU A 28 -4.659 -8.380 6.883 1.00 0.00 C ATOM 428 O LEU A 28 -3.898 -9.319 7.111 1.00 0.00 O ATOM 429 CB LEU A 28 -3.652 -6.084 7.180 1.00 0.00 C ATOM 430 CG LEU A 28 -3.217 -6.621 8.548 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.944 -7.447 8.429 1.00 0.00 C ATOM 432 CD2 LEU A 28 -3.011 -5.472 9.522 1.00 0.00 C ATOM 0 H LEU A 28 -5.627 -5.685 5.761 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.339 -7.419 5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.807 -5.560 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.438 -5.345 7.337 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.008 -7.269 8.927 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.657 -7.816 9.413 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.119 -8.291 7.762 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.144 -6.826 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.702 -5.867 10.490 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.239 -4.804 9.139 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.944 -4.920 9.636 1.00 0.00 H new ATOM 444 N GLU A 29 -5.942 -8.393 7.221 1.00 0.00 N ATOM 445 CA GLU A 29 -6.536 -9.533 7.902 1.00 0.00 C ATOM 446 C GLU A 29 -6.507 -10.768 7.006 1.00 0.00 C ATOM 447 O GLU A 29 -6.431 -11.898 7.488 1.00 0.00 O ATOM 448 CB GLU A 29 -7.976 -9.220 8.314 1.00 0.00 C ATOM 449 CG GLU A 29 -8.084 -8.176 9.412 1.00 0.00 C ATOM 450 CD GLU A 29 -9.502 -8.013 9.925 1.00 0.00 C ATOM 451 OE1 GLU A 29 -9.899 -8.783 10.824 1.00 0.00 O ATOM 452 OE2 GLU A 29 -10.214 -7.115 9.428 1.00 0.00 O ATOM 0 H GLU A 29 -6.590 -7.627 7.034 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.950 -9.737 8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.527 -8.873 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.456 -10.139 8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.432 -8.456 10.240 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.726 -7.218 9.034 1.00 0.00 H new ATOM 459 N SER A 30 -6.568 -10.537 5.697 1.00 0.00 N ATOM 460 CA SER A 30 -6.552 -11.621 4.721 1.00 0.00 C ATOM 461 C SER A 30 -5.211 -12.348 4.725 1.00 0.00 C ATOM 462 O SER A 30 -5.100 -13.461 4.216 1.00 0.00 O ATOM 463 CB SER A 30 -6.850 -11.080 3.322 1.00 0.00 C ATOM 464 OG SER A 30 -6.926 -12.131 2.374 1.00 0.00 O ATOM 0 H SER A 30 -6.629 -9.605 5.287 1.00 0.00 H new ATOM 0 HA SER A 30 -7.327 -12.335 5.001 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.790 -10.529 3.335 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.072 -10.376 3.028 1.00 0.00 H new ATOM 0 HG SER A 30 -6.365 -12.879 2.669 1.00 0.00 H new ATOM 470 N LEU A 31 -4.193 -11.712 5.296 1.00 0.00 N ATOM 471 CA LEU A 31 -2.865 -12.310 5.365 1.00 0.00 C ATOM 472 C LEU A 31 -2.866 -13.522 6.290 1.00 0.00 C ATOM 473 O LEU A 31 -1.870 -14.239 6.391 1.00 0.00 O ATOM 474 CB LEU A 31 -1.836 -11.285 5.854 1.00 0.00 C ATOM 475 CG LEU A 31 -1.557 -10.130 4.889 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.559 -9.159 5.500 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.039 -10.656 3.557 1.00 0.00 C ATOM 0 H LEU A 31 -4.262 -10.785 5.716 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.591 -12.635 4.361 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.182 -10.871 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.899 -11.803 6.056 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.492 -9.600 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.371 -8.343 4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.965 -8.756 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.375 -9.681 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.847 -9.819 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.115 -11.211 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.784 -11.315 3.112 1.00 0.00 H new ATOM 489 N SER A 32 -3.991 -13.746 6.960 1.00 0.00 N ATOM 490 CA SER A 32 -4.120 -14.868 7.883 1.00 0.00 C ATOM 491 C SER A 32 -5.275 -15.783 7.484 1.00 0.00 C ATOM 492 O SER A 32 -5.791 -16.540 8.307 1.00 0.00 O ATOM 493 CB SER A 32 -4.333 -14.357 9.309 1.00 0.00 C ATOM 494 OG SER A 32 -5.536 -13.613 9.411 1.00 0.00 O ATOM 0 H SER A 32 -4.826 -13.166 6.881 1.00 0.00 H new ATOM 0 HA SER A 32 -3.196 -15.445 7.839 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.363 -15.200 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.490 -13.733 9.605 1.00 0.00 H new ATOM 0 HG SER A 32 -5.644 -13.054 8.613 1.00 0.00 H new ATOM 500 N ASN A 33 -5.671 -15.716 6.216 1.00 0.00 N ATOM 501 CA ASN A 33 -6.764 -16.543 5.716 1.00 0.00 C ATOM 502 C ASN A 33 -6.253 -17.912 5.275 1.00 0.00 C ATOM 503 O ASN A 33 -5.113 -18.047 4.829 1.00 0.00 O ATOM 504 CB ASN A 33 -7.474 -15.842 4.553 1.00 0.00 C ATOM 505 CG ASN A 33 -6.590 -15.694 3.330 1.00 0.00 C ATOM 506 OD1 ASN A 33 -5.381 -15.913 3.388 1.00 0.00 O ATOM 507 ND2 ASN A 33 -7.193 -15.301 2.214 1.00 0.00 N ATOM 0 H ASN A 33 -5.253 -15.100 5.519 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.478 -16.689 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -8.367 -16.407 4.284 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.806 -14.856 4.877 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -6.651 -15.170 1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -8.199 -15.131 2.211 1.00 0.00 H new ATOM 514 N GLU A 34 -7.101 -18.926 5.408 1.00 0.00 N ATOM 515 CA GLU A 34 -6.739 -20.283 5.033 1.00 0.00 C ATOM 516 C GLU A 34 -6.488 -20.397 3.531 1.00 0.00 C ATOM 517 O GLU A 34 -5.662 -21.197 3.092 1.00 0.00 O ATOM 518 CB GLU A 34 -7.845 -21.251 5.451 1.00 0.00 C ATOM 519 CG GLU A 34 -7.470 -22.706 5.258 1.00 0.00 C ATOM 520 CD GLU A 34 -8.585 -23.656 5.650 1.00 0.00 C ATOM 521 OE1 GLU A 34 -8.645 -24.045 6.834 1.00 0.00 O ATOM 522 OE2 GLU A 34 -9.399 -24.010 4.771 1.00 0.00 O ATOM 0 H GLU A 34 -8.048 -18.830 5.775 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.815 -20.541 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.090 -21.082 6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.745 -21.035 4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.206 -22.873 4.214 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.583 -22.930 5.850 1.00 0.00 H new ATOM 529 N ASP A 35 -7.201 -19.592 2.746 1.00 0.00 N ATOM 530 CA ASP A 35 -7.050 -19.615 1.294 1.00 0.00 C ATOM 531 C ASP A 35 -5.854 -18.773 0.857 1.00 0.00 C ATOM 532 O ASP A 35 -5.349 -17.952 1.623 1.00 0.00 O ATOM 533 CB ASP A 35 -8.327 -19.111 0.618 1.00 0.00 C ATOM 534 CG ASP A 35 -8.325 -19.367 -0.877 1.00 0.00 C ATOM 535 OD1 ASP A 35 -8.655 -20.501 -1.285 1.00 0.00 O ATOM 536 OD2 ASP A 35 -7.995 -18.435 -1.639 1.00 0.00 O ATOM 0 H ASP A 35 -7.886 -18.919 3.090 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.872 -20.646 0.988 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.191 -19.601 1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.435 -18.042 0.801 1.00 0.00 H new ATOM 541 N TRP A 36 -5.404 -18.983 -0.379 1.00 0.00 N ATOM 542 CA TRP A 36 -4.259 -18.251 -0.912 1.00 0.00 C ATOM 543 C TRP A 36 -4.680 -17.278 -2.012 1.00 0.00 C ATOM 544 O TRP A 36 -4.198 -16.147 -2.070 1.00 0.00 O ATOM 545 CB TRP A 36 -3.214 -19.228 -1.454 1.00 0.00 C ATOM 546 CG TRP A 36 -2.763 -20.235 -0.440 1.00 0.00 C ATOM 547 CD1 TRP A 36 -3.236 -21.505 -0.278 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.749 -20.053 0.553 1.00 0.00 C ATOM 549 NE1 TRP A 36 -2.575 -22.124 0.757 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.660 -21.253 1.282 1.00 0.00 C ATOM 551 CE3 TRP A 36 -0.908 -18.992 0.898 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.763 -21.422 2.332 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.018 -19.161 1.942 1.00 0.00 C ATOM 554 CH2 TRP A 36 0.047 -20.369 2.648 1.00 0.00 C ATOM 0 H TRP A 36 -5.815 -19.653 -1.029 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.826 -17.672 -0.096 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.628 -19.751 -2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.350 -18.666 -1.807 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -4.015 -21.957 -0.875 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.740 -23.077 1.080 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.952 -18.057 0.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.709 -22.353 2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.638 -18.348 2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.753 -20.470 3.459 1.00 0.00 H new ATOM 565 N ARG A 37 -5.579 -17.726 -2.884 1.00 0.00 N ATOM 566 CA ARG A 37 -6.062 -16.902 -3.984 1.00 0.00 C ATOM 567 C ARG A 37 -6.708 -15.620 -3.466 1.00 0.00 C ATOM 568 O ARG A 37 -6.688 -14.589 -4.139 1.00 0.00 O ATOM 569 CB ARG A 37 -7.066 -17.693 -4.823 1.00 0.00 C ATOM 570 CG ARG A 37 -7.466 -16.995 -6.109 1.00 0.00 C ATOM 571 CD ARG A 37 -8.375 -17.871 -6.957 1.00 0.00 C ATOM 572 NE ARG A 37 -8.799 -17.200 -8.183 1.00 0.00 N ATOM 573 CZ ARG A 37 -8.977 -17.827 -9.343 1.00 0.00 C ATOM 574 NH1 ARG A 37 -8.751 -19.131 -9.440 1.00 0.00 N ATOM 575 NH2 ARG A 37 -9.376 -17.147 -10.409 1.00 0.00 N ATOM 0 H ARG A 37 -5.988 -18.660 -2.848 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.210 -16.625 -4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.638 -18.666 -5.065 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.959 -17.878 -4.227 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.975 -16.060 -5.874 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.573 -16.737 -6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.854 -18.794 -7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.253 -18.151 -6.375 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.968 -16.195 -8.148 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.440 -19.657 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.889 -19.608 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.546 -16.144 -10.340 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.513 -17.627 -11.298 1.00 0.00 H new ATOM 589 N ILE A 38 -7.277 -15.688 -2.266 1.00 0.00 N ATOM 590 CA ILE A 38 -7.922 -14.529 -1.661 1.00 0.00 C ATOM 591 C ILE A 38 -6.884 -13.577 -1.079 1.00 0.00 C ATOM 592 O ILE A 38 -6.987 -12.360 -1.233 1.00 0.00 O ATOM 593 CB ILE A 38 -8.909 -14.945 -0.553 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.960 -15.904 -1.117 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.571 -13.716 0.055 1.00 0.00 C ATOM 596 CD1 ILE A 38 -10.889 -16.478 -0.068 1.00 0.00 C ATOM 0 H ILE A 38 -7.304 -16.533 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.478 -14.022 -2.450 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.359 -15.460 0.234 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.553 -15.379 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.454 -16.723 -1.628 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.265 -14.026 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.808 -13.067 0.484 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -10.114 -13.175 -0.720 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.605 -17.148 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.308 -17.032 0.669 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.424 -15.667 0.427 1.00 0.00 H new ATOM 608 N ARG A 39 -5.884 -14.141 -0.407 1.00 0.00 N ATOM 609 CA ARG A 39 -4.820 -13.343 0.189 1.00 0.00 C ATOM 610 C ARG A 39 -4.058 -12.584 -0.893 1.00 0.00 C ATOM 611 O ARG A 39 -3.391 -11.588 -0.616 1.00 0.00 O ATOM 612 CB ARG A 39 -3.859 -14.239 0.978 1.00 0.00 C ATOM 613 CG ARG A 39 -2.765 -13.470 1.702 1.00 0.00 C ATOM 614 CD ARG A 39 -1.718 -14.404 2.294 1.00 0.00 C ATOM 615 NE ARG A 39 -2.290 -15.328 3.270 1.00 0.00 N ATOM 616 CZ ARG A 39 -1.569 -16.198 3.974 1.00 0.00 C ATOM 617 NH1 ARG A 39 -0.252 -16.251 3.822 1.00 0.00 N ATOM 618 NH2 ARG A 39 -2.164 -17.012 4.835 1.00 0.00 N ATOM 0 H ARG A 39 -5.789 -15.146 -0.262 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.270 -12.623 0.873 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.429 -14.816 1.706 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.399 -14.953 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.286 -12.779 1.008 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.207 -12.869 2.496 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.246 -14.972 1.492 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.935 -13.814 2.771 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.299 -15.305 3.421 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.211 -15.624 3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.297 -16.919 4.363 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.176 -16.972 4.959 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.610 -17.678 5.374 1.00 0.00 H new ATOM 632 N GLY A 40 -4.170 -13.066 -2.129 1.00 0.00 N ATOM 633 CA GLY A 40 -3.492 -12.424 -3.240 1.00 0.00 C ATOM 634 C GLY A 40 -3.982 -11.010 -3.472 1.00 0.00 C ATOM 635 O GLY A 40 -3.236 -10.051 -3.280 1.00 0.00 O ATOM 0 H GLY A 40 -4.718 -13.889 -2.379 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.419 -12.408 -3.048 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.645 -13.012 -4.145 1.00 0.00 H new ATOM 639 N ALA A 41 -5.243 -10.882 -3.879 1.00 0.00 N ATOM 640 CA ALA A 41 -5.841 -9.576 -4.132 1.00 0.00 C ATOM 641 C ALA A 41 -5.604 -8.625 -2.964 1.00 0.00 C ATOM 642 O ALA A 41 -5.544 -7.409 -3.146 1.00 0.00 O ATOM 643 CB ALA A 41 -7.331 -9.723 -4.401 1.00 0.00 C ATOM 0 H ALA A 41 -5.871 -11.670 -4.041 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.362 -9.150 -5.014 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.766 -8.741 -4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.482 -10.359 -5.273 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.814 -10.174 -3.535 1.00 0.00 H new ATOM 649 N ALA A 42 -5.468 -9.185 -1.765 1.00 0.00 N ATOM 650 CA ALA A 42 -5.232 -8.379 -0.573 1.00 0.00 C ATOM 651 C ALA A 42 -3.910 -7.631 -0.688 1.00 0.00 C ATOM 652 O ALA A 42 -3.871 -6.407 -0.607 1.00 0.00 O ATOM 653 CB ALA A 42 -5.239 -9.256 0.669 1.00 0.00 C ATOM 0 H ALA A 42 -5.517 -10.189 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.035 -7.648 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.061 -8.640 1.550 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.206 -9.750 0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.454 -10.008 0.588 1.00 0.00 H new ATOM 659 N ALA A 43 -2.832 -8.377 -0.890 1.00 0.00 N ATOM 660 CA ALA A 43 -1.503 -7.792 -1.031 1.00 0.00 C ATOM 661 C ALA A 43 -1.430 -6.906 -2.272 1.00 0.00 C ATOM 662 O ALA A 43 -0.703 -5.913 -2.302 1.00 0.00 O ATOM 663 CB ALA A 43 -0.466 -8.898 -1.129 1.00 0.00 C ATOM 0 H ALA A 43 -2.852 -9.394 -0.960 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.300 -7.176 -0.155 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.526 -8.458 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.499 -9.508 -0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.680 -9.522 -1.997 1.00 0.00 H new ATOM 669 N TRP A 44 -2.199 -7.279 -3.292 1.00 0.00 N ATOM 670 CA TRP A 44 -2.222 -6.551 -4.557 1.00 0.00 C ATOM 671 C TRP A 44 -2.906 -5.185 -4.443 1.00 0.00 C ATOM 672 O TRP A 44 -2.508 -4.233 -5.115 1.00 0.00 O ATOM 673 CB TRP A 44 -2.916 -7.397 -5.629 1.00 0.00 C ATOM 674 CG TRP A 44 -2.005 -8.412 -6.250 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.403 -9.462 -5.624 1.00 0.00 C ATOM 676 CD2 TRP A 44 -1.591 -8.470 -7.619 1.00 0.00 C ATOM 677 NE1 TRP A 44 -0.630 -10.164 -6.516 1.00 0.00 N ATOM 678 CE2 TRP A 44 -0.731 -9.577 -7.748 1.00 0.00 C ATOM 679 CE3 TRP A 44 -1.862 -7.694 -8.749 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.139 -9.926 -8.958 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.275 -8.042 -9.952 1.00 0.00 C ATOM 682 CH2 TRP A 44 -0.422 -9.148 -10.048 1.00 0.00 C ATOM 0 H TRP A 44 -2.819 -8.088 -3.266 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.186 -6.364 -4.840 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.771 -7.907 -5.185 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.305 -6.741 -6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.517 -9.707 -4.578 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.072 -10.989 -6.296 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.518 -6.838 -8.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.519 -10.779 -9.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.478 -7.450 -10.832 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.022 -9.392 -11.002 1.00 0.00 H new ATOM 693 N ILE A 45 -3.930 -5.087 -3.599 1.00 0.00 N ATOM 694 CA ILE A 45 -4.668 -3.834 -3.440 1.00 0.00 C ATOM 695 C ILE A 45 -4.213 -3.059 -2.205 1.00 0.00 C ATOM 696 O ILE A 45 -4.408 -1.846 -2.113 1.00 0.00 O ATOM 697 CB ILE A 45 -6.188 -4.096 -3.340 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.676 -4.882 -4.561 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.953 -2.786 -3.210 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.133 -5.292 -4.481 1.00 0.00 C ATOM 0 H ILE A 45 -4.267 -5.854 -3.017 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.458 -3.234 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.375 -4.691 -2.446 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.527 -4.276 -5.455 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.062 -5.776 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.021 -2.994 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.627 -2.262 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.760 -2.164 -4.084 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.406 -5.844 -5.380 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.285 -5.925 -3.607 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.757 -4.402 -4.398 1.00 0.00 H new ATOM 712 N ILE A 46 -3.599 -3.762 -1.264 1.00 0.00 N ATOM 713 CA ILE A 46 -3.144 -3.147 -0.023 1.00 0.00 C ATOM 714 C ILE A 46 -2.111 -2.046 -0.266 1.00 0.00 C ATOM 715 O ILE A 46 -2.067 -1.057 0.465 1.00 0.00 O ATOM 716 CB ILE A 46 -2.560 -4.201 0.943 1.00 0.00 C ATOM 717 CG1 ILE A 46 -2.754 -3.747 2.386 1.00 0.00 C ATOM 718 CG2 ILE A 46 -1.088 -4.464 0.650 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.521 -4.842 3.402 1.00 0.00 C ATOM 0 H ILE A 46 -3.404 -4.761 -1.336 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.023 -2.691 0.433 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.095 -5.139 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.074 -2.921 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.767 -3.363 2.504 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.706 -5.210 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.980 -4.831 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.523 -3.539 0.764 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.677 -4.446 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.219 -5.660 3.222 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.499 -5.211 3.312 1.00 0.00 H new ATOM 731 N GLY A 47 -1.288 -2.217 -1.294 1.00 0.00 N ATOM 732 CA GLY A 47 -0.263 -1.234 -1.593 1.00 0.00 C ATOM 733 C GLY A 47 -0.826 0.076 -2.112 1.00 0.00 C ATOM 734 O GLY A 47 -0.169 1.115 -2.026 1.00 0.00 O ATOM 0 H GLY A 47 -1.312 -3.018 -1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.320 -1.040 -0.692 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.422 -1.647 -2.333 1.00 0.00 H new ATOM 738 N ASN A 48 -2.036 0.028 -2.654 1.00 0.00 N ATOM 739 CA ASN A 48 -2.680 1.221 -3.197 1.00 0.00 C ATOM 740 C ASN A 48 -3.103 2.188 -2.091 1.00 0.00 C ATOM 741 O ASN A 48 -3.480 3.328 -2.368 1.00 0.00 O ATOM 742 CB ASN A 48 -3.898 0.827 -4.034 1.00 0.00 C ATOM 743 CG ASN A 48 -3.596 -0.293 -5.011 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.468 -1.098 -5.338 1.00 0.00 O ATOM 745 ND2 ASN A 48 -2.356 -0.351 -5.484 1.00 0.00 N ATOM 0 H ASN A 48 -2.593 -0.823 -2.730 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.952 1.730 -3.828 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.706 0.518 -3.371 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.254 1.698 -4.584 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.096 -1.083 -6.145 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.664 0.337 -5.186 1.00 0.00 H new ATOM 752 N PHE A 49 -3.044 1.732 -0.842 1.00 0.00 N ATOM 753 CA PHE A 49 -3.439 2.563 0.295 1.00 0.00 C ATOM 754 C PHE A 49 -2.297 3.464 0.765 1.00 0.00 C ATOM 755 O PHE A 49 -2.531 4.591 1.202 1.00 0.00 O ATOM 756 CB PHE A 49 -3.914 1.685 1.453 1.00 0.00 C ATOM 757 CG PHE A 49 -5.206 0.972 1.174 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.211 -0.265 0.550 1.00 0.00 C ATOM 759 CD2 PHE A 49 -6.416 1.539 1.537 1.00 0.00 C ATOM 760 CE1 PHE A 49 -6.398 -0.923 0.293 1.00 0.00 C ATOM 761 CE2 PHE A 49 -7.608 0.887 1.283 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.599 -0.346 0.660 1.00 0.00 C ATOM 0 H PHE A 49 -2.728 0.795 -0.591 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.256 3.203 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.143 0.948 1.680 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.035 2.304 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.275 -0.720 0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.429 2.503 2.025 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.388 -1.887 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.545 1.341 1.571 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.529 -0.858 0.460 1.00 0.00 H new ATOM 772 N GLN A 50 -1.069 2.961 0.677 1.00 0.00 N ATOM 773 CA GLN A 50 0.106 3.721 1.101 1.00 0.00 C ATOM 774 C GLN A 50 0.013 4.090 2.577 1.00 0.00 C ATOM 775 O GLN A 50 0.257 5.235 2.961 1.00 0.00 O ATOM 776 CB GLN A 50 0.262 4.988 0.258 1.00 0.00 C ATOM 777 CG GLN A 50 0.508 4.705 -1.212 1.00 0.00 C ATOM 778 CD GLN A 50 -0.766 4.701 -2.040 1.00 0.00 C ATOM 779 OE1 GLN A 50 -0.872 3.975 -3.027 1.00 0.00 O ATOM 780 NE2 GLN A 50 -1.736 5.521 -1.648 1.00 0.00 N ATOM 0 H GLN A 50 -0.860 2.030 0.316 1.00 0.00 H new ATOM 0 HA GLN A 50 0.982 3.089 0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.637 5.596 0.358 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.090 5.578 0.651 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.191 5.455 -1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.002 3.739 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.607 6.106 -0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.610 5.565 -2.172 1.00 0.00 H new ATOM 789 N ASP A 51 -0.335 3.110 3.401 1.00 0.00 N ATOM 790 CA ASP A 51 -0.466 3.331 4.838 1.00 0.00 C ATOM 791 C ASP A 51 0.355 2.313 5.631 1.00 0.00 C ATOM 792 O ASP A 51 0.993 1.435 5.052 1.00 0.00 O ATOM 793 CB ASP A 51 -1.938 3.258 5.247 1.00 0.00 C ATOM 794 CG ASP A 51 -2.196 3.863 6.615 1.00 0.00 C ATOM 795 OD1 ASP A 51 -2.338 5.100 6.698 1.00 0.00 O ATOM 796 OD2 ASP A 51 -2.257 3.098 7.601 1.00 0.00 O ATOM 0 H ASP A 51 -0.532 2.155 3.101 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.080 4.325 5.066 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.543 3.778 4.504 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.259 2.216 5.248 1.00 0.00 H new ATOM 801 N GLU A 52 0.325 2.440 6.956 1.00 0.00 N ATOM 802 CA GLU A 52 1.069 1.547 7.844 1.00 0.00 C ATOM 803 C GLU A 52 0.627 0.093 7.694 1.00 0.00 C ATOM 804 O GLU A 52 1.460 -0.813 7.648 1.00 0.00 O ATOM 805 CB GLU A 52 0.892 1.987 9.298 1.00 0.00 C ATOM 806 CG GLU A 52 1.385 3.397 9.572 1.00 0.00 C ATOM 807 CD GLU A 52 2.887 3.529 9.412 1.00 0.00 C ATOM 808 OE1 GLU A 52 3.620 3.135 10.342 1.00 0.00 O ATOM 809 OE2 GLU A 52 3.329 4.027 8.355 1.00 0.00 O ATOM 0 H GLU A 52 -0.211 3.159 7.442 1.00 0.00 H new ATOM 0 HA GLU A 52 2.120 1.609 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.164 1.923 9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.426 1.292 9.946 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.888 4.090 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.104 3.686 10.585 1.00 0.00 H new ATOM 816 N ARG A 53 -0.682 -0.128 7.628 1.00 0.00 N ATOM 817 CA ARG A 53 -1.222 -1.479 7.493 1.00 0.00 C ATOM 818 C ARG A 53 -0.811 -2.108 6.165 1.00 0.00 C ATOM 819 O ARG A 53 -0.998 -3.305 5.952 1.00 0.00 O ATOM 820 CB ARG A 53 -2.747 -1.458 7.603 1.00 0.00 C ATOM 821 CG ARG A 53 -3.257 -0.928 8.931 1.00 0.00 C ATOM 822 CD ARG A 53 -3.683 -2.056 9.854 1.00 0.00 C ATOM 823 NE ARG A 53 -3.991 -1.577 11.199 1.00 0.00 N ATOM 824 CZ ARG A 53 -4.247 -2.382 12.227 1.00 0.00 C ATOM 825 NH1 ARG A 53 -4.230 -3.697 12.062 1.00 0.00 N ATOM 826 NH2 ARG A 53 -4.520 -1.870 13.420 1.00 0.00 N ATOM 0 H ARG A 53 -1.388 0.608 7.666 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.811 -2.082 8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.152 -0.845 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.127 -2.469 7.456 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.477 -0.338 9.412 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.101 -0.260 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.559 -2.554 9.437 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.888 -2.800 9.907 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.011 -0.570 11.359 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.020 -4.093 11.146 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.426 -4.313 12.851 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.534 -0.858 13.550 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.716 -2.488 14.207 1.00 0.00 H new ATOM 840 N ALA A 54 -0.250 -1.293 5.278 1.00 0.00 N ATOM 841 CA ALA A 54 0.178 -1.767 3.968 1.00 0.00 C ATOM 842 C ALA A 54 1.692 -1.893 3.912 1.00 0.00 C ATOM 843 O ALA A 54 2.266 -2.181 2.862 1.00 0.00 O ATOM 844 CB ALA A 54 -0.313 -0.823 2.882 1.00 0.00 C ATOM 0 H ALA A 54 -0.081 -0.301 5.443 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.255 -2.753 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.013 -1.188 1.908 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.402 -0.776 2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.097 0.172 3.052 1.00 0.00 H new ATOM 850 N VAL A 55 2.330 -1.672 5.053 1.00 0.00 N ATOM 851 CA VAL A 55 3.782 -1.739 5.146 1.00 0.00 C ATOM 852 C VAL A 55 4.271 -3.139 5.513 1.00 0.00 C ATOM 853 O VAL A 55 5.082 -3.726 4.796 1.00 0.00 O ATOM 854 CB VAL A 55 4.309 -0.730 6.182 1.00 0.00 C ATOM 855 CG1 VAL A 55 5.818 -0.823 6.302 1.00 0.00 C ATOM 856 CG2 VAL A 55 3.888 0.684 5.813 1.00 0.00 C ATOM 0 H VAL A 55 1.863 -1.444 5.931 1.00 0.00 H new ATOM 0 HA VAL A 55 4.171 -1.489 4.159 1.00 0.00 H new ATOM 0 HB VAL A 55 3.874 -0.977 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.170 -0.101 7.039 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.097 -1.829 6.617 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.274 -0.606 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.270 1.383 6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.292 0.940 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.800 0.744 5.784 1.00 0.00 H new ATOM 866 N GLU A 56 3.777 -3.669 6.627 1.00 0.00 N ATOM 867 CA GLU A 56 4.183 -4.994 7.090 1.00 0.00 C ATOM 868 C GLU A 56 3.912 -6.078 6.042 1.00 0.00 C ATOM 869 O GLU A 56 4.795 -6.888 5.757 1.00 0.00 O ATOM 870 CB GLU A 56 3.486 -5.345 8.407 1.00 0.00 C ATOM 871 CG GLU A 56 3.814 -6.743 8.908 1.00 0.00 C ATOM 872 CD GLU A 56 3.423 -6.949 10.359 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.211 -7.046 10.640 1.00 0.00 O ATOM 874 OE2 GLU A 56 4.332 -7.017 11.214 1.00 0.00 O ATOM 0 H GLU A 56 3.096 -3.203 7.226 1.00 0.00 H new ATOM 0 HA GLU A 56 5.260 -4.958 7.256 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.773 -4.618 9.167 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.408 -5.258 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.298 -7.477 8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.883 -6.924 8.794 1.00 0.00 H new ATOM 881 N PRO A 57 2.692 -6.125 5.460 1.00 0.00 N ATOM 882 CA PRO A 57 2.344 -7.125 4.444 1.00 0.00 C ATOM 883 C PRO A 57 3.456 -7.339 3.429 1.00 0.00 C ATOM 884 O PRO A 57 3.908 -8.461 3.214 1.00 0.00 O ATOM 885 CB PRO A 57 1.126 -6.506 3.767 1.00 0.00 C ATOM 886 CG PRO A 57 0.459 -5.730 4.848 1.00 0.00 C ATOM 887 CD PRO A 57 1.559 -5.216 5.740 1.00 0.00 C ATOM 0 HA PRO A 57 2.168 -8.109 4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.417 -5.862 2.937 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.465 -7.271 3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.122 -4.906 4.433 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.233 -6.359 5.408 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.810 -4.181 5.510 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.270 -5.248 6.791 1.00 0.00 H new ATOM 895 N LEU A 58 3.910 -6.250 2.828 1.00 0.00 N ATOM 896 CA LEU A 58 4.966 -6.307 1.826 1.00 0.00 C ATOM 897 C LEU A 58 6.207 -7.026 2.353 1.00 0.00 C ATOM 898 O LEU A 58 6.845 -7.784 1.626 1.00 0.00 O ATOM 899 CB LEU A 58 5.334 -4.892 1.372 1.00 0.00 C ATOM 900 CG LEU A 58 4.144 -3.955 1.140 1.00 0.00 C ATOM 901 CD1 LEU A 58 4.610 -2.632 0.551 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.111 -4.610 0.233 1.00 0.00 C ATOM 0 H LEU A 58 3.562 -5.310 3.018 1.00 0.00 H new ATOM 0 HA LEU A 58 4.588 -6.876 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.988 -4.445 2.121 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.908 -4.961 0.448 1.00 0.00 H new ATOM 0 HG LEU A 58 3.675 -3.756 2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.750 -1.981 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.307 -2.153 1.239 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.107 -2.813 -0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.275 -3.927 0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.567 -4.844 -0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.750 -5.528 0.696 1.00 0.00 H new ATOM 914 N ILE A 59 6.538 -6.794 3.618 1.00 0.00 N ATOM 915 CA ILE A 59 7.716 -7.410 4.224 1.00 0.00 C ATOM 916 C ILE A 59 7.631 -8.938 4.220 1.00 0.00 C ATOM 917 O ILE A 59 8.480 -9.612 3.635 1.00 0.00 O ATOM 918 CB ILE A 59 7.918 -6.925 5.674 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.036 -5.396 5.723 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.148 -7.581 6.287 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.178 -4.836 4.897 1.00 0.00 C ATOM 0 H ILE A 59 6.010 -6.186 4.244 1.00 0.00 H new ATOM 0 HA ILE A 59 8.567 -7.105 3.615 1.00 0.00 H new ATOM 0 HB ILE A 59 7.046 -7.216 6.259 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.101 -4.959 5.374 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.165 -5.085 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.277 -7.228 7.310 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.020 -8.663 6.290 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.029 -7.322 5.700 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.192 -3.750 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.122 -5.242 5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.041 -5.113 3.852 1.00 0.00 H new ATOM 933 N LYS A 60 6.608 -9.475 4.876 1.00 0.00 N ATOM 934 CA LYS A 60 6.423 -10.923 4.963 1.00 0.00 C ATOM 935 C LYS A 60 6.021 -11.528 3.618 1.00 0.00 C ATOM 936 O LYS A 60 5.963 -12.749 3.473 1.00 0.00 O ATOM 937 CB LYS A 60 5.358 -11.253 6.012 1.00 0.00 C ATOM 938 CG LYS A 60 5.511 -10.472 7.310 1.00 0.00 C ATOM 939 CD LYS A 60 6.799 -10.832 8.034 1.00 0.00 C ATOM 940 CE LYS A 60 6.956 -10.032 9.317 1.00 0.00 C ATOM 941 NZ LYS A 60 7.008 -8.566 9.054 1.00 0.00 N ATOM 0 H LYS A 60 5.892 -8.930 5.357 1.00 0.00 H new ATOM 0 HA LYS A 60 7.379 -11.358 5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.373 -11.052 5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.398 -12.319 6.234 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.501 -9.403 7.095 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.659 -10.675 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.803 -11.897 8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.651 -10.644 7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.124 -10.252 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.867 -10.342 9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.938 -8.196 9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.857 -8.390 8.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.265 -8.088 9.603 1.00 0.00 H new ATOM 955 N LEU A 61 5.746 -10.672 2.641 1.00 0.00 N ATOM 956 CA LEU A 61 5.319 -11.125 1.319 1.00 0.00 C ATOM 957 C LEU A 61 6.486 -11.367 0.367 1.00 0.00 C ATOM 958 O LEU A 61 6.502 -12.359 -0.359 1.00 0.00 O ATOM 959 CB LEU A 61 4.361 -10.105 0.715 1.00 0.00 C ATOM 960 CG LEU A 61 2.873 -10.357 0.971 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.635 -10.989 2.338 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.094 -9.059 0.844 1.00 0.00 C ATOM 0 H LEU A 61 5.811 -9.659 2.738 1.00 0.00 H new ATOM 0 HA LEU A 61 4.818 -12.084 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.616 -9.120 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.525 -10.074 -0.362 1.00 0.00 H new ATOM 0 HG LEU A 61 2.520 -11.062 0.218 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.567 -11.152 2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.159 -11.943 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.009 -10.324 3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.037 -9.250 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.465 -8.339 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.220 -8.656 -0.161 1.00 0.00 H new ATOM 974 N LEU A 62 7.459 -10.464 0.367 1.00 0.00 N ATOM 975 CA LEU A 62 8.615 -10.589 -0.513 1.00 0.00 C ATOM 976 C LEU A 62 9.390 -11.855 -0.187 1.00 0.00 C ATOM 977 O LEU A 62 10.304 -12.250 -0.913 1.00 0.00 O ATOM 978 CB LEU A 62 9.512 -9.361 -0.376 1.00 0.00 C ATOM 979 CG LEU A 62 8.807 -8.027 -0.627 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.491 -6.911 0.148 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.785 -7.709 -2.115 1.00 0.00 C ATOM 0 H LEU A 62 7.471 -9.638 0.966 1.00 0.00 H new ATOM 0 HA LEU A 62 8.269 -10.654 -1.545 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.938 -9.349 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.343 -9.455 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 62 7.778 -8.108 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.977 -5.969 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.457 -7.135 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.530 -6.829 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.280 -6.757 -2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.807 -7.645 -2.489 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.252 -8.497 -2.648 1.00 0.00 H new ATOM 993 N GLU A 63 9.011 -12.483 0.916 1.00 0.00 N ATOM 994 CA GLU A 63 9.647 -13.707 1.366 1.00 0.00 C ATOM 995 C GLU A 63 8.615 -14.821 1.530 1.00 0.00 C ATOM 996 O GLU A 63 8.962 -15.965 1.826 1.00 0.00 O ATOM 997 CB GLU A 63 10.366 -13.450 2.689 1.00 0.00 C ATOM 998 CG GLU A 63 9.482 -12.811 3.748 1.00 0.00 C ATOM 999 CD GLU A 63 10.192 -12.638 5.077 1.00 0.00 C ATOM 1000 OE1 GLU A 63 10.943 -11.651 5.224 1.00 0.00 O ATOM 1001 OE2 GLU A 63 9.994 -13.487 5.971 1.00 0.00 O ATOM 0 H GLU A 63 8.257 -12.158 1.521 1.00 0.00 H new ATOM 0 HA GLU A 63 10.373 -14.026 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.753 -14.394 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.225 -12.804 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.142 -11.838 3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.593 -13.426 3.893 1.00 0.00 H new ATOM 1008 N ASP A 64 7.343 -14.474 1.341 1.00 0.00 N ATOM 1009 CA ASP A 64 6.251 -15.437 1.469 1.00 0.00 C ATOM 1010 C ASP A 64 6.398 -16.569 0.463 1.00 0.00 C ATOM 1011 O ASP A 64 5.966 -17.696 0.705 1.00 0.00 O ATOM 1012 CB ASP A 64 4.899 -14.742 1.296 1.00 0.00 C ATOM 1013 CG ASP A 64 3.734 -15.623 1.702 1.00 0.00 C ATOM 1014 OD1 ASP A 64 3.870 -16.365 2.698 1.00 0.00 O ATOM 1015 OD2 ASP A 64 2.684 -15.565 1.030 1.00 0.00 O ATOM 0 H ASP A 64 7.043 -13.530 1.098 1.00 0.00 H new ATOM 0 HA ASP A 64 6.297 -15.866 2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.885 -13.830 1.892 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.779 -14.444 0.254 1.00 0.00 H new ATOM 1020 N ASP A 65 7.014 -16.249 -0.660 1.00 0.00 N ATOM 1021 CA ASP A 65 7.241 -17.219 -1.727 1.00 0.00 C ATOM 1022 C ASP A 65 5.934 -17.877 -2.173 1.00 0.00 C ATOM 1023 O ASP A 65 5.941 -19.000 -2.677 1.00 0.00 O ATOM 1024 CB ASP A 65 8.231 -18.290 -1.260 1.00 0.00 C ATOM 1025 CG ASP A 65 8.803 -19.098 -2.409 1.00 0.00 C ATOM 1026 OD1 ASP A 65 9.700 -18.583 -3.109 1.00 0.00 O ATOM 1027 OD2 ASP A 65 8.354 -20.247 -2.609 1.00 0.00 O ATOM 0 H ASP A 65 7.371 -15.315 -0.862 1.00 0.00 H new ATOM 0 HA ASP A 65 7.658 -16.685 -2.581 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.046 -17.813 -0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.731 -18.962 -0.562 1.00 0.00 H new ATOM 1032 N SER A 66 4.812 -17.179 -1.993 1.00 0.00 N ATOM 1033 CA SER A 66 3.517 -17.725 -2.386 1.00 0.00 C ATOM 1034 C SER A 66 3.220 -17.434 -3.855 1.00 0.00 C ATOM 1035 O SER A 66 2.201 -17.871 -4.387 1.00 0.00 O ATOM 1036 CB SER A 66 2.408 -17.151 -1.506 1.00 0.00 C ATOM 1037 OG SER A 66 1.139 -17.651 -1.891 1.00 0.00 O ATOM 0 H SER A 66 4.775 -16.246 -1.583 1.00 0.00 H new ATOM 0 HA SER A 66 3.555 -18.806 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.600 -17.403 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.410 -16.063 -1.577 1.00 0.00 H new ATOM 0 HG SER A 66 1.127 -17.803 -2.859 1.00 0.00 H new ATOM 1043 N GLY A 67 4.117 -16.696 -4.504 1.00 0.00 N ATOM 1044 CA GLY A 67 3.922 -16.353 -5.902 1.00 0.00 C ATOM 1045 C GLY A 67 2.945 -15.207 -6.071 1.00 0.00 C ATOM 1046 O GLY A 67 3.334 -14.097 -6.435 1.00 0.00 O ATOM 0 H GLY A 67 4.973 -16.330 -4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.880 -16.082 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.555 -17.226 -6.442 1.00 0.00 H new ATOM 1050 N PHE A 68 1.672 -15.481 -5.810 1.00 0.00 N ATOM 1051 CA PHE A 68 0.631 -14.465 -5.912 1.00 0.00 C ATOM 1052 C PHE A 68 0.811 -13.435 -4.805 1.00 0.00 C ATOM 1053 O PHE A 68 0.906 -12.234 -5.060 1.00 0.00 O ATOM 1054 CB PHE A 68 -0.750 -15.118 -5.788 1.00 0.00 C ATOM 1055 CG PHE A 68 -1.880 -14.350 -6.429 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -1.883 -12.959 -6.483 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -2.951 -15.036 -6.978 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -2.933 -12.280 -7.073 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.001 -14.361 -7.565 1.00 0.00 C ATOM 1060 CZ PHE A 68 -3.993 -12.982 -7.614 1.00 0.00 C ATOM 0 H PHE A 68 1.335 -16.401 -5.525 1.00 0.00 H new ATOM 0 HA PHE A 68 0.707 -13.972 -6.881 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.707 -16.111 -6.235 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.977 -15.254 -4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.058 -12.405 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.964 -16.115 -6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.925 -11.201 -7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.829 -14.912 -7.986 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.814 -12.452 -8.074 1.00 0.00 H new ATOM 1070 N VAL A 69 0.861 -13.926 -3.571 1.00 0.00 N ATOM 1071 CA VAL A 69 1.028 -13.070 -2.407 1.00 0.00 C ATOM 1072 C VAL A 69 2.422 -12.452 -2.370 1.00 0.00 C ATOM 1073 O VAL A 69 2.602 -11.340 -1.876 1.00 0.00 O ATOM 1074 CB VAL A 69 0.775 -13.852 -1.103 1.00 0.00 C ATOM 1075 CG1 VAL A 69 0.753 -12.919 0.096 1.00 0.00 C ATOM 1076 CG2 VAL A 69 -0.526 -14.635 -1.197 1.00 0.00 C ATOM 0 H VAL A 69 0.787 -14.920 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 69 0.292 -12.270 -2.488 1.00 0.00 H new ATOM 0 HB VAL A 69 1.595 -14.557 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.573 -13.496 1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.712 -12.407 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.042 -12.183 -0.030 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.690 -15.182 -0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.354 -13.946 -1.363 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.468 -15.339 -2.027 1.00 0.00 H new ATOM 1086 N ARG A 70 3.403 -13.167 -2.911 1.00 0.00 N ATOM 1087 CA ARG A 70 4.776 -12.677 -2.931 1.00 0.00 C ATOM 1088 C ARG A 70 4.933 -11.526 -3.918 1.00 0.00 C ATOM 1089 O ARG A 70 5.248 -10.401 -3.530 1.00 0.00 O ATOM 1090 CB ARG A 70 5.742 -13.803 -3.300 1.00 0.00 C ATOM 1091 CG ARG A 70 7.202 -13.441 -3.080 1.00 0.00 C ATOM 1092 CD ARG A 70 8.131 -14.404 -3.797 1.00 0.00 C ATOM 1093 NE ARG A 70 9.510 -14.284 -3.333 1.00 0.00 N ATOM 1094 CZ ARG A 70 10.481 -15.122 -3.683 1.00 0.00 C ATOM 1095 NH1 ARG A 70 10.227 -16.134 -4.502 1.00 0.00 N ATOM 1096 NH2 ARG A 70 11.709 -14.946 -3.215 1.00 0.00 N ATOM 0 H ARG A 70 3.274 -14.084 -3.340 1.00 0.00 H new ATOM 0 HA ARG A 70 5.012 -12.314 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.501 -14.687 -2.709 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.595 -14.070 -4.347 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.383 -12.427 -3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.422 -13.449 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.784 -15.426 -3.641 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.092 -14.214 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 70 9.741 -13.514 -2.705 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.284 -16.271 -4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.975 -16.775 -4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.909 -14.168 -2.587 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.454 -15.589 -3.483 1.00 0.00 H new ATOM 1110 N SER A 71 4.710 -11.816 -5.197 1.00 0.00 N ATOM 1111 CA SER A 71 4.831 -10.807 -6.244 1.00 0.00 C ATOM 1112 C SER A 71 3.836 -9.673 -6.036 1.00 0.00 C ATOM 1113 O SER A 71 4.023 -8.569 -6.550 1.00 0.00 O ATOM 1114 CB SER A 71 4.617 -11.439 -7.620 1.00 0.00 C ATOM 1115 OG SER A 71 5.552 -12.477 -7.855 1.00 0.00 O ATOM 0 H SER A 71 4.445 -12.742 -5.533 1.00 0.00 H new ATOM 0 HA SER A 71 5.838 -10.393 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.604 -11.836 -7.688 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.713 -10.676 -8.393 1.00 0.00 H new ATOM 0 HG SER A 71 5.192 -13.324 -7.518 1.00 0.00 H new ATOM 1121 N GLY A 72 2.779 -9.948 -5.281 1.00 0.00 N ATOM 1122 CA GLY A 72 1.776 -8.934 -5.020 1.00 0.00 C ATOM 1123 C GLY A 72 2.323 -7.779 -4.209 1.00 0.00 C ATOM 1124 O GLY A 72 1.770 -6.679 -4.228 1.00 0.00 O ATOM 0 H GLY A 72 2.599 -10.853 -4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.388 -8.558 -5.967 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.938 -9.384 -4.488 1.00 0.00 H new ATOM 1128 N ALA A 73 3.408 -8.033 -3.488 1.00 0.00 N ATOM 1129 CA ALA A 73 4.035 -7.007 -2.667 1.00 0.00 C ATOM 1130 C ALA A 73 5.064 -6.211 -3.456 1.00 0.00 C ATOM 1131 O ALA A 73 5.039 -4.985 -3.449 1.00 0.00 O ATOM 1132 CB ALA A 73 4.683 -7.632 -1.446 1.00 0.00 C ATOM 0 H ALA A 73 3.871 -8.941 -3.456 1.00 0.00 H new ATOM 0 HA ALA A 73 3.254 -6.318 -2.345 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.148 -6.853 -0.842 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.925 -8.146 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.442 -8.347 -1.763 1.00 0.00 H new ATOM 1138 N ALA A 74 5.963 -6.919 -4.142 1.00 0.00 N ATOM 1139 CA ALA A 74 7.018 -6.278 -4.926 1.00 0.00 C ATOM 1140 C ALA A 74 6.482 -5.105 -5.742 1.00 0.00 C ATOM 1141 O ALA A 74 7.189 -4.122 -5.969 1.00 0.00 O ATOM 1142 CB ALA A 74 7.685 -7.293 -5.842 1.00 0.00 C ATOM 0 H ALA A 74 5.981 -7.938 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 74 7.756 -5.886 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.468 -6.802 -6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.122 -8.092 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.943 -7.713 -6.521 1.00 0.00 H new ATOM 1148 N ARG A 75 5.232 -5.213 -6.183 1.00 0.00 N ATOM 1149 CA ARG A 75 4.607 -4.156 -6.969 1.00 0.00 C ATOM 1150 C ARG A 75 4.118 -3.023 -6.070 1.00 0.00 C ATOM 1151 O ARG A 75 4.150 -1.854 -6.453 1.00 0.00 O ATOM 1152 CB ARG A 75 3.437 -4.716 -7.783 1.00 0.00 C ATOM 1153 CG ARG A 75 2.479 -5.570 -6.969 1.00 0.00 C ATOM 1154 CD ARG A 75 1.227 -5.914 -7.760 1.00 0.00 C ATOM 1155 NE ARG A 75 1.544 -6.391 -9.103 1.00 0.00 N ATOM 1156 CZ ARG A 75 1.077 -5.830 -10.215 1.00 0.00 C ATOM 1157 NH1 ARG A 75 0.267 -4.783 -10.146 1.00 0.00 N ATOM 1158 NH2 ARG A 75 1.418 -6.320 -11.399 1.00 0.00 N ATOM 0 H ARG A 75 4.634 -6.021 -6.009 1.00 0.00 H new ATOM 0 HA ARG A 75 5.357 -3.757 -7.652 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.884 -3.887 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.831 -5.312 -8.606 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.980 -6.488 -6.662 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.201 -5.039 -6.059 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.660 -6.678 -7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.588 -5.034 -7.829 1.00 0.00 H new ATOM 0 HE ARG A 75 2.158 -7.200 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.001 -4.404 -9.238 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.089 -4.356 -11.001 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.039 -7.127 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.060 -5.890 -12.251 1.00 0.00 H new ATOM 1172 N SER A 76 3.669 -3.381 -4.871 1.00 0.00 N ATOM 1173 CA SER A 76 3.171 -2.401 -3.911 1.00 0.00 C ATOM 1174 C SER A 76 4.271 -1.437 -3.476 1.00 0.00 C ATOM 1175 O SER A 76 4.010 -0.257 -3.246 1.00 0.00 O ATOM 1176 CB SER A 76 2.586 -3.106 -2.689 1.00 0.00 C ATOM 1177 OG SER A 76 1.474 -3.908 -3.045 1.00 0.00 O ATOM 0 H SER A 76 3.640 -4.345 -4.540 1.00 0.00 H new ATOM 0 HA SER A 76 2.389 -1.823 -4.403 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.351 -3.727 -2.223 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.282 -2.365 -1.949 1.00 0.00 H new ATOM 0 HG SER A 76 1.789 -4.762 -3.409 1.00 0.00 H new ATOM 1183 N LEU A 77 5.496 -1.942 -3.352 1.00 0.00 N ATOM 1184 CA LEU A 77 6.620 -1.104 -2.951 1.00 0.00 C ATOM 1185 C LEU A 77 6.751 0.090 -3.889 1.00 0.00 C ATOM 1186 O LEU A 77 6.683 1.242 -3.458 1.00 0.00 O ATOM 1187 CB LEU A 77 7.919 -1.914 -2.958 1.00 0.00 C ATOM 1188 CG LEU A 77 8.104 -2.888 -1.789 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.082 -2.149 -0.460 1.00 0.00 C ATOM 1190 CD2 LEU A 77 7.046 -3.975 -1.809 1.00 0.00 C ATOM 0 H LEU A 77 5.733 -2.919 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 77 6.435 -0.742 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.967 -2.479 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.759 -1.219 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 77 9.079 -3.362 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.215 -2.861 0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.889 -1.417 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.126 -1.639 -0.343 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.203 -4.651 -0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.058 -3.522 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.116 -4.534 -2.742 1.00 0.00 H new ATOM 1202 N GLU A 78 6.939 -0.194 -5.173 1.00 0.00 N ATOM 1203 CA GLU A 78 7.072 0.852 -6.179 1.00 0.00 C ATOM 1204 C GLU A 78 5.788 1.671 -6.288 1.00 0.00 C ATOM 1205 O GLU A 78 5.818 2.837 -6.681 1.00 0.00 O ATOM 1206 CB GLU A 78 7.427 0.242 -7.535 1.00 0.00 C ATOM 1207 CG GLU A 78 7.866 1.265 -8.567 1.00 0.00 C ATOM 1208 CD GLU A 78 8.276 0.630 -9.881 1.00 0.00 C ATOM 1209 OE1 GLU A 78 7.401 0.454 -10.755 1.00 0.00 O ATOM 1210 OE2 GLU A 78 9.473 0.310 -10.038 1.00 0.00 O ATOM 0 H GLU A 78 7.003 -1.143 -5.542 1.00 0.00 H new ATOM 0 HA GLU A 78 7.877 1.519 -5.871 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.225 -0.488 -7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.562 -0.299 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.052 1.967 -8.746 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.702 1.841 -8.170 1.00 0.00 H new ATOM 1217 N GLN A 79 4.662 1.054 -5.940 1.00 0.00 N ATOM 1218 CA GLN A 79 3.372 1.733 -5.993 1.00 0.00 C ATOM 1219 C GLN A 79 3.351 2.921 -5.039 1.00 0.00 C ATOM 1220 O GLN A 79 3.003 4.036 -5.428 1.00 0.00 O ATOM 1221 CB GLN A 79 2.242 0.762 -5.648 1.00 0.00 C ATOM 1222 CG GLN A 79 1.635 0.082 -6.864 1.00 0.00 C ATOM 1223 CD GLN A 79 0.897 -1.198 -6.516 1.00 0.00 C ATOM 1224 OE1 GLN A 79 0.821 -2.121 -7.325 1.00 0.00 O ATOM 1225 NE2 GLN A 79 0.348 -1.259 -5.307 1.00 0.00 N ATOM 0 H GLN A 79 4.617 0.087 -5.619 1.00 0.00 H new ATOM 0 HA GLN A 79 3.221 2.100 -7.008 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.623 0.000 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.459 1.302 -5.115 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.947 0.771 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.425 -0.143 -7.581 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.435 -0.470 -4.667 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -0.161 -2.095 -5.019 1.00 0.00 H new ATOM 1234 N ILE A 80 3.728 2.673 -3.789 1.00 0.00 N ATOM 1235 CA ILE A 80 3.762 3.722 -2.780 1.00 0.00 C ATOM 1236 C ILE A 80 4.820 4.765 -3.123 1.00 0.00 C ATOM 1237 O ILE A 80 4.523 5.955 -3.228 1.00 0.00 O ATOM 1238 CB ILE A 80 4.051 3.143 -1.381 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.017 2.067 -1.034 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.048 4.251 -0.337 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.340 1.293 0.227 1.00 0.00 C ATOM 0 H ILE A 80 4.014 1.754 -3.452 1.00 0.00 H new ATOM 0 HA ILE A 80 2.780 4.194 -2.768 1.00 0.00 H new ATOM 0 HB ILE A 80 5.040 2.684 -1.386 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.041 2.538 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.939 1.369 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 80 4.254 3.826 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.816 4.985 -0.583 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.072 4.737 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.563 0.550 0.407 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.301 0.792 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.389 1.979 1.073 1.00 0.00 H new ATOM 1253 N GLY A 81 6.056 4.306 -3.302 1.00 0.00 N ATOM 1254 CA GLY A 81 7.147 5.203 -3.637 1.00 0.00 C ATOM 1255 C GLY A 81 7.467 6.178 -2.521 1.00 0.00 C ATOM 1256 O GLY A 81 6.636 7.010 -2.156 1.00 0.00 O ATOM 0 H GLY A 81 6.321 3.324 -3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.036 4.616 -3.867 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.890 5.760 -4.538 1.00 0.00 H new ATOM 1260 N GLY A 82 8.674 6.075 -1.981 1.00 0.00 N ATOM 1261 CA GLY A 82 9.084 6.958 -0.907 1.00 0.00 C ATOM 1262 C GLY A 82 10.069 6.301 0.037 1.00 0.00 C ATOM 1263 O GLY A 82 10.397 5.124 -0.116 1.00 0.00 O ATOM 0 H GLY A 82 9.378 5.395 -2.268 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.534 7.856 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.205 7.276 -0.347 1.00 0.00 H new ATOM 1267 N GLU A 83 10.537 7.062 1.019 1.00 0.00 N ATOM 1268 CA GLU A 83 11.492 6.554 1.995 1.00 0.00 C ATOM 1269 C GLU A 83 10.885 5.418 2.813 1.00 0.00 C ATOM 1270 O GLU A 83 11.604 4.595 3.380 1.00 0.00 O ATOM 1271 CB GLU A 83 11.951 7.684 2.919 1.00 0.00 C ATOM 1272 CG GLU A 83 13.085 7.290 3.850 1.00 0.00 C ATOM 1273 CD GLU A 83 13.555 8.444 4.715 1.00 0.00 C ATOM 1274 OE1 GLU A 83 12.966 8.652 5.797 1.00 0.00 O ATOM 1275 OE2 GLU A 83 14.509 9.139 4.309 1.00 0.00 O ATOM 0 H GLU A 83 10.269 8.036 1.160 1.00 0.00 H new ATOM 0 HA GLU A 83 12.355 6.162 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.269 8.531 2.312 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.103 8.020 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.757 6.471 4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.923 6.918 3.260 1.00 0.00 H new ATOM 1282 N ARG A 84 9.557 5.378 2.869 1.00 0.00 N ATOM 1283 CA ARG A 84 8.854 4.345 3.621 1.00 0.00 C ATOM 1284 C ARG A 84 9.128 2.956 3.049 1.00 0.00 C ATOM 1285 O ARG A 84 9.634 2.078 3.749 1.00 0.00 O ATOM 1286 CB ARG A 84 7.344 4.621 3.648 1.00 0.00 C ATOM 1287 CG ARG A 84 6.779 5.149 2.335 1.00 0.00 C ATOM 1288 CD ARG A 84 6.691 6.668 2.334 1.00 0.00 C ATOM 1289 NE ARG A 84 5.831 7.168 3.402 1.00 0.00 N ATOM 1290 CZ ARG A 84 5.103 8.277 3.305 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.130 9.000 2.192 1.00 0.00 N ATOM 1292 NH2 ARG A 84 4.345 8.664 4.321 1.00 0.00 N ATOM 0 H ARG A 84 8.947 6.049 2.403 1.00 0.00 H new ATOM 0 HA ARG A 84 9.231 4.370 4.643 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.823 3.700 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 84 7.133 5.342 4.437 1.00 0.00 H new ATOM 0 HG2 ARG A 84 7.409 4.820 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.788 4.726 2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 84 7.690 7.089 2.447 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.308 7.008 1.372 1.00 0.00 H new ATOM 0 HE ARG A 84 5.786 6.637 4.272 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.711 8.706 1.407 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.570 9.850 2.122 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.320 8.111 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.787 9.515 4.246 1.00 0.00 H new ATOM 1306 N VAL A 85 8.795 2.764 1.779 1.00 0.00 N ATOM 1307 CA VAL A 85 9.006 1.482 1.119 1.00 0.00 C ATOM 1308 C VAL A 85 10.485 1.216 0.890 1.00 0.00 C ATOM 1309 O VAL A 85 10.906 0.069 0.743 1.00 0.00 O ATOM 1310 CB VAL A 85 8.288 1.423 -0.237 1.00 0.00 C ATOM 1311 CG1 VAL A 85 6.795 1.219 -0.044 1.00 0.00 C ATOM 1312 CG2 VAL A 85 8.564 2.683 -1.044 1.00 0.00 C ATOM 0 H VAL A 85 8.377 3.480 1.185 1.00 0.00 H new ATOM 0 HA VAL A 85 8.594 0.721 1.782 1.00 0.00 H new ATOM 0 HB VAL A 85 8.676 0.571 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.304 1.180 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 85 6.621 0.284 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 85 6.387 2.047 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.047 2.622 -2.002 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.207 3.553 -0.493 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.636 2.777 -1.216 1.00 0.00 H new ATOM 1322 N ARG A 86 11.267 2.285 0.858 1.00 0.00 N ATOM 1323 CA ARG A 86 12.700 2.174 0.634 1.00 0.00 C ATOM 1324 C ARG A 86 13.352 1.302 1.700 1.00 0.00 C ATOM 1325 O ARG A 86 14.299 0.566 1.421 1.00 0.00 O ATOM 1326 CB ARG A 86 13.333 3.561 0.619 1.00 0.00 C ATOM 1327 CG ARG A 86 14.841 3.542 0.442 1.00 0.00 C ATOM 1328 CD ARG A 86 15.364 4.899 0.008 1.00 0.00 C ATOM 1329 NE ARG A 86 16.806 4.884 -0.220 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.622 5.866 0.147 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.143 6.936 0.769 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.921 5.780 -0.104 1.00 0.00 N ATOM 0 H ARG A 86 10.932 3.240 0.985 1.00 0.00 H new ATOM 0 HA ARG A 86 12.863 1.699 -0.334 1.00 0.00 H new ATOM 0 HB2 ARG A 86 12.889 4.145 -0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 86 13.092 4.071 1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 86 15.315 3.250 1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 86 15.112 2.791 -0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 86 14.856 5.208 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.126 5.640 0.771 1.00 0.00 H new ATOM 0 HE ARG A 86 17.210 4.073 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.145 7.007 0.967 1.00 0.00 H new ATOM 0 HH12 ARG A 86 17.773 7.688 1.049 1.00 0.00 H new ATOM 0 HH21 ARG A 86 19.295 4.959 -0.580 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.546 6.535 0.178 1.00 0.00 H new ATOM 1346 N ALA A 87 12.839 1.387 2.923 1.00 0.00 N ATOM 1347 CA ALA A 87 13.365 0.603 4.029 1.00 0.00 C ATOM 1348 C ALA A 87 13.055 -0.873 3.824 1.00 0.00 C ATOM 1349 O ALA A 87 13.793 -1.745 4.280 1.00 0.00 O ATOM 1350 CB ALA A 87 12.786 1.093 5.348 1.00 0.00 C ATOM 0 H ALA A 87 12.057 1.993 3.171 1.00 0.00 H new ATOM 0 HA ALA A 87 14.447 0.727 4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.189 0.496 6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.053 2.139 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.701 0.995 5.328 1.00 0.00 H new ATOM 1356 N ALA A 88 11.953 -1.142 3.131 1.00 0.00 N ATOM 1357 CA ALA A 88 11.542 -2.509 2.849 1.00 0.00 C ATOM 1358 C ALA A 88 12.467 -3.148 1.820 1.00 0.00 C ATOM 1359 O ALA A 88 12.758 -4.342 1.893 1.00 0.00 O ATOM 1360 CB ALA A 88 10.101 -2.540 2.365 1.00 0.00 C ATOM 0 H ALA A 88 11.329 -0.428 2.755 1.00 0.00 H new ATOM 0 HA ALA A 88 11.609 -3.086 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.809 -3.570 2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.450 -2.125 3.134 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.010 -1.947 1.455 1.00 0.00 H new ATOM 1366 N MET A 89 12.930 -2.346 0.860 1.00 0.00 N ATOM 1367 CA MET A 89 13.828 -2.841 -0.178 1.00 0.00 C ATOM 1368 C MET A 89 15.178 -3.191 0.415 1.00 0.00 C ATOM 1369 O MET A 89 15.696 -4.280 0.193 1.00 0.00 O ATOM 1370 CB MET A 89 14.024 -1.806 -1.283 1.00 0.00 C ATOM 1371 CG MET A 89 12.778 -1.026 -1.633 1.00 0.00 C ATOM 1372 SD MET A 89 11.275 -2.024 -1.592 1.00 0.00 S ATOM 1373 CE MET A 89 11.503 -3.057 -3.034 1.00 0.00 C ATOM 0 H MET A 89 12.698 -1.356 0.782 1.00 0.00 H new ATOM 0 HA MET A 89 13.370 -3.732 -0.607 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.802 -1.107 -0.976 1.00 0.00 H new ATOM 0 HB3 MET A 89 14.385 -2.312 -2.178 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.672 -0.193 -0.938 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.894 -0.597 -2.628 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.576 -3.586 -3.253 1.00 0.00 H new ATOM 0 HE2 MET A 89 11.776 -2.436 -3.887 1.00 0.00 H new ATOM 0 HE3 MET A 89 12.296 -3.779 -2.842 1.00 0.00 H new ATOM 1383 N GLU A 90 15.752 -2.247 1.151 1.00 0.00 N ATOM 1384 CA GLU A 90 17.041 -2.462 1.792 1.00 0.00 C ATOM 1385 C GLU A 90 16.986 -3.712 2.661 1.00 0.00 C ATOM 1386 O GLU A 90 17.961 -4.457 2.763 1.00 0.00 O ATOM 1387 CB GLU A 90 17.423 -1.247 2.639 1.00 0.00 C ATOM 1388 CG GLU A 90 17.523 0.042 1.840 1.00 0.00 C ATOM 1389 CD GLU A 90 17.676 1.264 2.724 1.00 0.00 C ATOM 1390 OE1 GLU A 90 18.826 1.609 3.067 1.00 0.00 O ATOM 1391 OE2 GLU A 90 16.645 1.875 3.075 1.00 0.00 O ATOM 0 H GLU A 90 15.345 -1.327 1.318 1.00 0.00 H new ATOM 0 HA GLU A 90 17.799 -2.599 1.021 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.684 -1.119 3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.380 -1.439 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 90 18.374 -0.020 1.162 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.631 0.153 1.223 1.00 0.00 H new ATOM 1398 N LYS A 91 15.831 -3.931 3.284 1.00 0.00 N ATOM 1399 CA LYS A 91 15.627 -5.096 4.134 1.00 0.00 C ATOM 1400 C LYS A 91 15.379 -6.337 3.287 1.00 0.00 C ATOM 1401 O LYS A 91 15.648 -7.459 3.718 1.00 0.00 O ATOM 1402 CB LYS A 91 14.444 -4.859 5.078 1.00 0.00 C ATOM 1403 CG LYS A 91 14.725 -5.246 6.521 1.00 0.00 C ATOM 1404 CD LYS A 91 14.892 -6.747 6.679 1.00 0.00 C ATOM 1405 CE LYS A 91 15.319 -7.109 8.090 1.00 0.00 C ATOM 1406 NZ LYS A 91 16.642 -6.522 8.437 1.00 0.00 N ATOM 0 H LYS A 91 15.022 -3.314 3.215 1.00 0.00 H new ATOM 0 HA LYS A 91 16.528 -5.254 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.167 -3.805 5.041 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.585 -5.427 4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.629 -4.742 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.908 -4.902 7.155 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.953 -7.247 6.442 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.634 -7.109 5.968 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.569 -6.757 8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.366 -8.194 8.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.031 -7.010 9.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.293 -6.635 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.528 -5.511 8.650 1.00 0.00 H new ATOM 1420 N LEU A 92 14.866 -6.130 2.077 1.00 0.00 N ATOM 1421 CA LEU A 92 14.587 -7.225 1.170 1.00 0.00 C ATOM 1422 C LEU A 92 15.836 -7.567 0.357 1.00 0.00 C ATOM 1423 O LEU A 92 15.971 -8.675 -0.153 1.00 0.00 O ATOM 1424 CB LEU A 92 13.407 -6.845 0.265 1.00 0.00 C ATOM 1425 CG LEU A 92 13.479 -7.340 -1.177 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.304 -8.850 -1.238 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.423 -6.647 -2.024 1.00 0.00 C ATOM 0 H LEU A 92 14.636 -5.208 1.707 1.00 0.00 H new ATOM 0 HA LEU A 92 14.312 -8.115 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.492 -7.231 0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.322 -5.758 0.251 1.00 0.00 H new ATOM 0 HG LEU A 92 14.463 -7.096 -1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.359 -9.181 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.094 -9.331 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.334 -9.121 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.485 -7.009 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.434 -6.864 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.593 -5.570 -2.008 1.00 0.00 H new ATOM 1439 N ALA A 93 16.754 -6.611 0.259 1.00 0.00 N ATOM 1440 CA ALA A 93 17.993 -6.806 -0.485 1.00 0.00 C ATOM 1441 C ALA A 93 18.955 -7.697 0.293 1.00 0.00 C ATOM 1442 O ALA A 93 19.865 -8.297 -0.280 1.00 0.00 O ATOM 1443 CB ALA A 93 18.642 -5.464 -0.789 1.00 0.00 C ATOM 0 H ALA A 93 16.662 -5.690 0.687 1.00 0.00 H new ATOM 0 HA ALA A 93 17.754 -7.301 -1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.566 -5.624 -1.345 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.961 -4.857 -1.385 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.865 -4.948 0.145 1.00 0.00 H new ATOM 1449 N GLU A 94 18.744 -7.776 1.604 1.00 0.00 N ATOM 1450 CA GLU A 94 19.583 -8.595 2.471 1.00 0.00 C ATOM 1451 C GLU A 94 19.157 -10.058 2.391 1.00 0.00 C ATOM 1452 O GLU A 94 19.951 -10.965 2.641 1.00 0.00 O ATOM 1453 CB GLU A 94 19.495 -8.093 3.914 1.00 0.00 C ATOM 1454 CG GLU A 94 20.747 -8.358 4.734 1.00 0.00 C ATOM 1455 CD GLU A 94 20.935 -9.826 5.066 1.00 0.00 C ATOM 1456 OE1 GLU A 94 20.220 -10.329 5.959 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.796 -10.473 4.433 1.00 0.00 O ATOM 0 H GLU A 94 17.996 -7.281 2.090 1.00 0.00 H new ATOM 0 HA GLU A 94 20.617 -8.517 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 94 19.299 -7.021 3.904 1.00 0.00 H new ATOM 0 HB3 GLU A 94 18.645 -8.568 4.403 1.00 0.00 H new ATOM 0 HG2 GLU A 94 21.618 -8.001 4.184 1.00 0.00 H new ATOM 0 HG3 GLU A 94 20.697 -7.785 5.660 1.00 0.00 H new ATOM 1464 N THR A 95 17.896 -10.276 2.030 1.00 0.00 N ATOM 1465 CA THR A 95 17.355 -11.620 1.900 1.00 0.00 C ATOM 1466 C THR A 95 16.823 -11.809 0.492 1.00 0.00 C ATOM 1467 O THR A 95 16.083 -12.751 0.205 1.00 0.00 O ATOM 1468 CB THR A 95 16.221 -11.878 2.911 1.00 0.00 C ATOM 1469 OG1 THR A 95 15.142 -10.963 2.683 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.724 -11.731 4.340 1.00 0.00 C ATOM 0 H THR A 95 17.229 -9.533 1.822 1.00 0.00 H new ATOM 0 HA THR A 95 18.157 -12.329 2.105 1.00 0.00 H new ATOM 0 HB THR A 95 15.866 -12.899 2.771 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.425 -11.135 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.905 -11.918 5.035 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.524 -12.449 4.520 1.00 0.00 H new ATOM 0 HG23 THR A 95 17.104 -10.720 4.490 1.00 0.00 H new ATOM 1478 N GLY A 96 17.219 -10.893 -0.384 1.00 0.00 N ATOM 1479 CA GLY A 96 16.785 -10.931 -1.761 1.00 0.00 C ATOM 1480 C GLY A 96 17.215 -12.186 -2.480 1.00 0.00 C ATOM 1481 O GLY A 96 18.390 -12.550 -2.474 1.00 0.00 O ATOM 0 H GLY A 96 17.841 -10.117 -0.157 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.698 -10.853 -1.796 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.184 -10.063 -2.286 1.00 0.00 H new ATOM 1485 N THR A 97 16.251 -12.841 -3.105 1.00 0.00 N ATOM 1486 CA THR A 97 16.515 -14.061 -3.852 1.00 0.00 C ATOM 1487 C THR A 97 15.714 -14.096 -5.152 1.00 0.00 C ATOM 1488 O THR A 97 14.504 -13.867 -5.156 1.00 0.00 O ATOM 1489 CB THR A 97 16.181 -15.313 -3.017 1.00 0.00 C ATOM 1490 OG1 THR A 97 16.330 -16.492 -3.816 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.763 -15.239 -2.470 1.00 0.00 C ATOM 0 H THR A 97 15.274 -12.547 -3.110 1.00 0.00 H new ATOM 0 HA THR A 97 17.579 -14.065 -4.087 1.00 0.00 H new ATOM 0 HB THR A 97 16.874 -15.356 -2.177 1.00 0.00 H new ATOM 0 HG1 THR A 97 16.117 -17.282 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 97 14.552 -16.134 -1.885 1.00 0.00 H new ATOM 0 HG22 THR A 97 14.663 -14.358 -1.835 1.00 0.00 H new ATOM 0 HG23 THR A 97 14.057 -15.172 -3.298 1.00 0.00 H new ATOM 1499 N GLY A 98 16.403 -14.381 -6.255 1.00 0.00 N ATOM 1500 CA GLY A 98 15.750 -14.451 -7.551 1.00 0.00 C ATOM 1501 C GLY A 98 15.167 -13.123 -8.002 1.00 0.00 C ATOM 1502 O GLY A 98 15.901 -12.199 -8.353 1.00 0.00 O ATOM 0 H GLY A 98 17.406 -14.565 -6.273 1.00 0.00 H new ATOM 0 HA2 GLY A 98 16.469 -14.796 -8.294 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.954 -15.194 -7.509 1.00 0.00 H new ATOM 1506 N PHE A 99 13.840 -13.036 -7.994 1.00 0.00 N ATOM 1507 CA PHE A 99 13.140 -11.826 -8.418 1.00 0.00 C ATOM 1508 C PHE A 99 13.007 -10.825 -7.273 1.00 0.00 C ATOM 1509 O PHE A 99 13.165 -9.620 -7.471 1.00 0.00 O ATOM 1510 CB PHE A 99 11.756 -12.200 -8.961 1.00 0.00 C ATOM 1511 CG PHE A 99 10.824 -11.034 -9.137 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.950 -10.184 -10.224 1.00 0.00 C ATOM 1513 CD2 PHE A 99 9.817 -10.794 -8.215 1.00 0.00 C ATOM 1514 CE1 PHE A 99 10.089 -9.115 -10.387 1.00 0.00 C ATOM 1515 CE2 PHE A 99 8.954 -9.727 -8.374 1.00 0.00 C ATOM 1516 CZ PHE A 99 9.090 -8.886 -9.462 1.00 0.00 C ATOM 0 H PHE A 99 13.224 -13.793 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 99 13.725 -11.349 -9.204 1.00 0.00 H new ATOM 0 HB2 PHE A 99 11.879 -12.700 -9.922 1.00 0.00 H new ATOM 0 HB3 PHE A 99 11.295 -12.919 -8.284 1.00 0.00 H new ATOM 0 HD1 PHE A 99 11.729 -10.359 -10.951 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.706 -11.448 -7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.198 -8.459 -11.238 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.174 -9.550 -7.649 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.416 -8.051 -9.588 1.00 0.00 H new ATOM 1526 N ALA A 100 12.719 -11.332 -6.078 1.00 0.00 N ATOM 1527 CA ALA A 100 12.552 -10.489 -4.896 1.00 0.00 C ATOM 1528 C ALA A 100 13.694 -9.485 -4.741 1.00 0.00 C ATOM 1529 O ALA A 100 13.473 -8.342 -4.344 1.00 0.00 O ATOM 1530 CB ALA A 100 12.442 -11.355 -3.651 1.00 0.00 C ATOM 0 H ALA A 100 12.596 -12.329 -5.901 1.00 0.00 H new ATOM 0 HA ALA A 100 11.632 -9.918 -5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 100 12.318 -10.719 -2.775 1.00 0.00 H new ATOM 0 HB2 ALA A 100 11.581 -12.017 -3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 100 13.348 -11.951 -3.541 1.00 0.00 H new ATOM 1536 N ARG A 101 14.910 -9.912 -5.057 1.00 0.00 N ATOM 1537 CA ARG A 101 16.082 -9.046 -4.937 1.00 0.00 C ATOM 1538 C ARG A 101 16.120 -7.994 -6.040 1.00 0.00 C ATOM 1539 O ARG A 101 16.187 -6.796 -5.761 1.00 0.00 O ATOM 1540 CB ARG A 101 17.353 -9.880 -4.995 1.00 0.00 C ATOM 1541 CG ARG A 101 18.619 -9.080 -4.732 1.00 0.00 C ATOM 1542 CD ARG A 101 19.696 -9.940 -4.095 1.00 0.00 C ATOM 1543 NE ARG A 101 20.958 -9.219 -3.945 1.00 0.00 N ATOM 1544 CZ ARG A 101 22.064 -9.763 -3.442 1.00 0.00 C ATOM 1545 NH1 ARG A 101 22.061 -11.027 -3.041 1.00 0.00 N ATOM 1546 NH2 ARG A 101 23.172 -9.041 -3.339 1.00 0.00 N ATOM 0 H ARG A 101 15.113 -10.851 -5.398 1.00 0.00 H new ATOM 0 HA ARG A 101 16.015 -8.533 -3.977 1.00 0.00 H new ATOM 0 HB2 ARG A 101 17.283 -10.685 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 101 17.426 -10.348 -5.977 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.990 -8.665 -5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.390 -8.238 -4.079 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.356 -10.281 -3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.857 -10.829 -4.705 1.00 0.00 H new ATOM 0 HE ARG A 101 20.994 -8.244 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 101 21.210 -11.584 -3.118 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.910 -11.442 -2.656 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.177 -8.068 -3.645 1.00 0.00 H new ATOM 0 HH22 ARG A 101 24.019 -9.459 -2.953 1.00 0.00 H new ATOM 1560 N LYS A 102 16.092 -8.455 -7.292 1.00 0.00 N ATOM 1561 CA LYS A 102 16.126 -7.563 -8.452 1.00 0.00 C ATOM 1562 C LYS A 102 15.141 -6.411 -8.279 1.00 0.00 C ATOM 1563 O LYS A 102 15.273 -5.359 -8.907 1.00 0.00 O ATOM 1564 CB LYS A 102 15.794 -8.349 -9.723 1.00 0.00 C ATOM 1565 CG LYS A 102 15.951 -7.545 -11.005 1.00 0.00 C ATOM 1566 CD LYS A 102 17.276 -7.834 -11.698 1.00 0.00 C ATOM 1567 CE LYS A 102 18.460 -7.306 -10.903 1.00 0.00 C ATOM 1568 NZ LYS A 102 19.756 -7.593 -11.579 1.00 0.00 N ATOM 0 H LYS A 102 16.046 -9.446 -7.529 1.00 0.00 H new ATOM 0 HA LYS A 102 17.130 -7.146 -8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.439 -9.226 -9.775 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.768 -8.711 -9.657 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.129 -7.777 -11.682 1.00 0.00 H new ATOM 0 HG3 LYS A 102 15.885 -6.481 -10.777 1.00 0.00 H new ATOM 0 HD2 LYS A 102 17.385 -8.909 -11.839 1.00 0.00 H new ATOM 0 HD3 LYS A 102 17.273 -7.381 -12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.353 -6.230 -10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 102 18.461 -7.757 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.538 -7.217 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 19.870 -8.621 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.766 -7.142 -12.516 1.00 0.00 H new ATOM 1582 N VAL A 103 14.156 -6.626 -7.419 1.00 0.00 N ATOM 1583 CA VAL A 103 13.134 -5.632 -7.139 1.00 0.00 C ATOM 1584 C VAL A 103 13.668 -4.494 -6.264 1.00 0.00 C ATOM 1585 O VAL A 103 13.655 -3.332 -6.669 1.00 0.00 O ATOM 1586 CB VAL A 103 11.934 -6.295 -6.437 1.00 0.00 C ATOM 1587 CG1 VAL A 103 11.013 -5.254 -5.819 1.00 0.00 C ATOM 1588 CG2 VAL A 103 11.169 -7.173 -7.413 1.00 0.00 C ATOM 0 H VAL A 103 14.044 -7.495 -6.897 1.00 0.00 H new ATOM 0 HA VAL A 103 12.822 -5.207 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 103 12.318 -6.920 -5.631 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.176 -5.753 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.566 -4.670 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.636 -4.592 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.324 -7.635 -6.902 1.00 0.00 H new ATOM 0 HG22 VAL A 103 10.804 -6.565 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 103 11.829 -7.950 -7.797 1.00 0.00 H new ATOM 1598 N ALA A 104 14.139 -4.841 -5.070 1.00 0.00 N ATOM 1599 CA ALA A 104 14.659 -3.859 -4.118 1.00 0.00 C ATOM 1600 C ALA A 104 15.805 -3.030 -4.691 1.00 0.00 C ATOM 1601 O ALA A 104 15.847 -1.811 -4.530 1.00 0.00 O ATOM 1602 CB ALA A 104 15.127 -4.570 -2.858 1.00 0.00 C ATOM 0 H ALA A 104 14.172 -5.804 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 104 13.846 -3.170 -3.890 1.00 0.00 H new ATOM 0 HB1 ALA A 104 15.514 -3.838 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 104 14.289 -5.102 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.914 -5.280 -3.112 1.00 0.00 H new ATOM 1608 N VAL A 105 16.722 -3.705 -5.357 1.00 0.00 N ATOM 1609 CA VAL A 105 17.903 -3.061 -5.927 1.00 0.00 C ATOM 1610 C VAL A 105 17.561 -2.049 -7.016 1.00 0.00 C ATOM 1611 O VAL A 105 17.812 -0.854 -6.869 1.00 0.00 O ATOM 1612 CB VAL A 105 18.863 -4.106 -6.526 1.00 0.00 C ATOM 1613 CG1 VAL A 105 20.119 -3.441 -7.069 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.216 -5.164 -5.496 1.00 0.00 C ATOM 0 H VAL A 105 16.676 -4.711 -5.521 1.00 0.00 H new ATOM 0 HA VAL A 105 18.378 -2.532 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 105 18.355 -4.596 -7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.781 -4.200 -7.487 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.846 -2.729 -7.848 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.631 -2.917 -6.262 1.00 0.00 H new ATOM 0 HG21 VAL A 105 19.895 -5.892 -5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.699 -4.692 -4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.308 -5.669 -5.167 1.00 0.00 H new ATOM 1624 N ASN A 106 16.989 -2.541 -8.106 1.00 0.00 N ATOM 1625 CA ASN A 106 16.645 -1.698 -9.245 1.00 0.00 C ATOM 1626 C ASN A 106 15.656 -0.590 -8.889 1.00 0.00 C ATOM 1627 O ASN A 106 15.762 0.524 -9.403 1.00 0.00 O ATOM 1628 CB ASN A 106 16.079 -2.556 -10.373 1.00 0.00 C ATOM 1629 CG ASN A 106 17.145 -3.401 -11.045 1.00 0.00 C ATOM 1630 OD1 ASN A 106 18.306 -3.003 -11.131 1.00 0.00 O ATOM 1631 ND2 ASN A 106 16.753 -4.575 -11.524 1.00 0.00 N ATOM 0 H ASN A 106 16.752 -3.526 -8.227 1.00 0.00 H new ATOM 0 HA ASN A 106 17.565 -1.210 -9.568 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.300 -3.207 -9.976 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.608 -1.912 -11.115 1.00 0.00 H new ATOM 0 HD21 ASN A 106 17.425 -5.188 -11.986 1.00 0.00 H new ATOM 0 HD22 ASN A 106 15.779 -4.865 -11.430 1.00 0.00 H new ATOM 1638 N TYR A 107 14.696 -0.888 -8.019 1.00 0.00 N ATOM 1639 CA TYR A 107 13.696 0.089 -7.639 1.00 0.00 C ATOM 1640 C TYR A 107 14.340 1.307 -6.985 1.00 0.00 C ATOM 1641 O TYR A 107 13.846 2.427 -7.115 1.00 0.00 O ATOM 1642 CB TYR A 107 12.677 -0.549 -6.705 1.00 0.00 C ATOM 1643 CG TYR A 107 11.875 0.459 -5.935 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.946 1.275 -6.560 1.00 0.00 C ATOM 1645 CD2 TYR A 107 12.069 0.600 -4.579 1.00 0.00 C ATOM 1646 CE1 TYR A 107 10.228 2.209 -5.842 1.00 0.00 C ATOM 1647 CE2 TYR A 107 11.360 1.530 -3.849 1.00 0.00 C ATOM 1648 CZ TYR A 107 10.439 2.333 -4.485 1.00 0.00 C ATOM 1649 OH TYR A 107 9.729 3.264 -3.763 1.00 0.00 O ATOM 0 H TYR A 107 14.594 -1.797 -7.568 1.00 0.00 H new ATOM 0 HA TYR A 107 13.184 0.429 -8.539 1.00 0.00 H new ATOM 0 HB2 TYR A 107 12.001 -1.175 -7.287 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.195 -1.205 -6.005 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.782 1.179 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.790 -0.029 -4.078 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.505 2.839 -6.340 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.525 1.628 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 107 10.292 3.618 -3.043 1.00 0.00 H new ATOM 1659 N LEU A 108 15.440 1.075 -6.279 1.00 0.00 N ATOM 1660 CA LEU A 108 16.161 2.143 -5.595 1.00 0.00 C ATOM 1661 C LEU A 108 16.523 3.276 -6.551 1.00 0.00 C ATOM 1662 O LEU A 108 16.822 4.390 -6.121 1.00 0.00 O ATOM 1663 CB LEU A 108 17.427 1.585 -4.943 1.00 0.00 C ATOM 1664 CG LEU A 108 17.207 0.850 -3.620 1.00 0.00 C ATOM 1665 CD1 LEU A 108 18.477 0.135 -3.188 1.00 0.00 C ATOM 1666 CD2 LEU A 108 16.748 1.822 -2.543 1.00 0.00 C ATOM 0 H LEU A 108 15.855 0.150 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 108 15.505 2.550 -4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.907 0.902 -5.644 1.00 0.00 H new ATOM 0 HB3 LEU A 108 18.122 2.407 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 108 16.427 0.103 -3.766 1.00 0.00 H new ATOM 0 HD11 LEU A 108 18.301 -0.382 -2.245 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.764 -0.589 -3.950 1.00 0.00 H new ATOM 0 HD13 LEU A 108 19.278 0.863 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 108 16.596 1.283 -1.608 1.00 0.00 H new ATOM 0 HD22 LEU A 108 17.507 2.591 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.812 2.289 -2.849 1.00 0.00 H new ATOM 1678 N GLU A 109 16.491 2.986 -7.847 1.00 0.00 N ATOM 1679 CA GLU A 109 16.812 3.983 -8.862 1.00 0.00 C ATOM 1680 C GLU A 109 15.703 5.026 -8.978 1.00 0.00 C ATOM 1681 O GLU A 109 15.780 5.937 -9.802 1.00 0.00 O ATOM 1682 CB GLU A 109 17.034 3.307 -10.218 1.00 0.00 C ATOM 1683 CG GLU A 109 18.227 2.365 -10.242 1.00 0.00 C ATOM 1684 CD GLU A 109 18.450 1.743 -11.606 1.00 0.00 C ATOM 1685 OE1 GLU A 109 17.845 0.687 -11.884 1.00 0.00 O ATOM 1686 OE2 GLU A 109 19.230 2.314 -12.398 1.00 0.00 O ATOM 0 H GLU A 109 16.246 2.069 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 109 17.729 4.488 -8.558 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.137 2.750 -10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.173 4.075 -10.979 1.00 0.00 H new ATOM 0 HG2 GLU A 109 19.122 2.911 -9.945 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.076 1.575 -9.506 1.00 0.00 H new ATOM 1693 N THR A 110 14.675 4.888 -8.145 1.00 0.00 N ATOM 1694 CA THR A 110 13.550 5.817 -8.158 1.00 0.00 C ATOM 1695 C THR A 110 13.478 6.614 -6.859 1.00 0.00 C ATOM 1696 O THR A 110 13.914 7.764 -6.801 1.00 0.00 O ATOM 1697 CB THR A 110 12.215 5.076 -8.369 1.00 0.00 C ATOM 1698 OG1 THR A 110 12.323 4.182 -9.484 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.083 6.060 -8.616 1.00 0.00 C ATOM 0 H THR A 110 14.598 4.142 -7.453 1.00 0.00 H new ATOM 0 HA THR A 110 13.714 6.502 -8.990 1.00 0.00 H new ATOM 0 HB THR A 110 11.994 4.509 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.472 3.713 -9.611 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.151 5.514 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.984 6.723 -7.757 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.301 6.650 -9.506 1.00 0.00 H new ATOM 1707 N HIS A 111 12.927 5.995 -5.818 1.00 0.00 N ATOM 1708 CA HIS A 111 12.798 6.648 -4.520 1.00 0.00 C ATOM 1709 C HIS A 111 13.830 6.109 -3.533 1.00 0.00 C ATOM 1710 O HIS A 111 14.908 6.728 -3.409 1.00 0.00 O ATOM 1711 CB HIS A 111 11.387 6.447 -3.962 1.00 0.00 C ATOM 1712 CG HIS A 111 10.311 7.029 -4.825 1.00 0.00 C ATOM 1713 ND1 HIS A 111 9.493 6.262 -5.629 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.915 8.312 -5.005 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.641 7.048 -6.264 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.876 8.295 -5.903 1.00 0.00 N ATOM 1717 OXT HIS A 111 13.552 5.074 -2.892 1.00 0.00 O ATOM 0 H HIS A 111 12.563 5.043 -5.849 1.00 0.00 H new ATOM 0 HA HIS A 111 12.978 7.714 -4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 111 11.203 5.380 -3.838 1.00 0.00 H new ATOM 0 HB3 HIS A 111 11.330 6.898 -2.971 1.00 0.00 H new ATOM 0 HD2 HIS A 111 10.338 9.185 -4.531 1.00 0.00 H new ATOM 0 HE1 HIS A 111 7.881 6.724 -6.960 1.00 0.00 H new ATOM 0 HE2 HIS A 111 8.368 9.114 -6.237 1.00 0.00 H new TER 1726 HIS A 111