USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 827 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 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 68 THR OG1 : rot -69:sc= -1.4 USER MOD Set 2.2: A 70 MET CE :methyl -131:sc= -0.385 (180deg=-1.9) USER MOD Set 2.3: A 78 ASN : amide:sc= -0.848 X(o=-2.6,f=-2.6) USER MOD Set 3.1: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 94 CYS SG : rot 125:sc= -3.4! USER MOD Set 4.1: A 11 TYR OH : rot 30:sc= -0.0757 USER MOD Set 4.2: A 25 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 9 CYS SG : rot -101:sc= 0.169 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 10 GLN : amide:sc= -0.229 K(o=-0.23,f=-1.1) USER MOD Single : A 13 SER OG : rot 80:sc= 0.822 USER MOD Single : A 15 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.11) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0176 X(o=-0.018,f=-0.19) USER MOD Single : A 28 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.018) USER MOD Single : A 29 HIS : no HD1:sc= -0.743 X(o=-0.74,f=-1.2) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0648 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -20:sc= 0.487 USER MOD Single : A 39 HIS : no HD1:sc= -0.521 X(o=-0.52,f=-0.083) USER MOD Single : A 43 GLN : amide:sc= -0.0544 X(o=-0.054,f=0) USER MOD Single : A 44 GLN : amide:sc= -1.55 K(o=-1.6,f=-2.9!) USER MOD Single : A 48 SER OG : rot 180:sc=-0.00567 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 59 SER OG : rot -52:sc= 1.11 USER MOD Single : A 60 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.17) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -14:sc= 1.03 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 84 GLN : amide:sc= -1.84 K(o=-1.8,f=-7.1!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -57:sc= 0.406 USER MOD Single : A 95 THR OG1 : rot 180:sc=0.000298 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.143 -0.633 0.449 1.00 0.00 N ATOM 2 CA MET A 1 1.774 -0.367 -0.839 1.00 0.00 C ATOM 3 C MET A 1 1.006 -1.041 -1.970 1.00 0.00 C ATOM 4 O MET A 1 0.495 -2.150 -1.812 1.00 0.00 O ATOM 5 CB MET A 1 3.225 -0.854 -0.830 1.00 0.00 C ATOM 6 CG MET A 1 4.135 -0.067 -1.759 1.00 0.00 C ATOM 7 SD MET A 1 5.805 0.116 -1.104 1.00 0.00 S ATOM 8 CE MET A 1 6.347 1.590 -1.965 1.00 0.00 C ATOM 0 H1 MET A 1 1.683 -0.164 1.204 1.00 0.00 H new ATOM 0 H2 MET A 1 0.170 -0.267 0.441 1.00 0.00 H new ATOM 0 H3 MET A 1 1.125 -1.658 0.622 1.00 0.00 H new ATOM 0 HA MET A 1 1.761 0.710 -1.007 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.615 -0.791 0.186 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.249 -1.906 -1.116 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.181 -0.568 -2.726 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.706 0.920 -1.931 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.366 1.833 -1.665 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.318 1.415 -3.040 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.687 2.421 -1.715 1.00 0.00 H new ATOM 18 N ASP A 2 0.927 -0.365 -3.111 1.00 0.00 N ATOM 19 CA ASP A 2 0.221 -0.900 -4.270 1.00 0.00 C ATOM 20 C ASP A 2 1.189 -1.596 -5.222 1.00 0.00 C ATOM 21 O ASP A 2 2.351 -1.209 -5.334 1.00 0.00 O ATOM 22 CB ASP A 2 -0.519 0.220 -5.004 1.00 0.00 C ATOM 23 CG ASP A 2 -1.989 -0.092 -5.203 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.743 -0.056 -4.208 1.00 0.00 O ATOM 25 OD2 ASP A 2 -2.386 -0.373 -6.354 1.00 0.00 O ATOM 0 H ASP A 2 1.343 0.555 -3.258 1.00 0.00 H new ATOM 0 HA ASP A 2 -0.504 -1.634 -3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -0.420 1.147 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.051 0.386 -5.974 1.00 0.00 H new ATOM 30 N ASN A 3 0.700 -2.626 -5.905 1.00 0.00 N ATOM 31 CA ASN A 3 1.522 -3.378 -6.846 1.00 0.00 C ATOM 32 C ASN A 3 1.943 -2.502 -8.022 1.00 0.00 C ATOM 33 O ASN A 3 3.003 -2.706 -8.613 1.00 0.00 O ATOM 34 CB ASN A 3 0.760 -4.603 -7.356 1.00 0.00 C ATOM 35 CG ASN A 3 1.685 -5.673 -7.903 1.00 0.00 C ATOM 36 OD1 ASN A 3 2.571 -6.161 -7.201 1.00 0.00 O ATOM 37 ND2 ASN A 3 1.481 -6.044 -9.162 1.00 0.00 N ATOM 0 H ASN A 3 -0.261 -2.959 -5.824 1.00 0.00 H new ATOM 0 HA ASN A 3 2.419 -3.708 -6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.165 -5.021 -6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.063 -4.295 -8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.071 -6.761 -9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.734 -5.612 -9.706 1.00 0.00 H new ATOM 44 N ARG A 4 1.105 -1.525 -8.354 1.00 0.00 N ATOM 45 CA ARG A 4 1.389 -0.618 -9.459 1.00 0.00 C ATOM 46 C ARG A 4 2.532 0.330 -9.105 1.00 0.00 C ATOM 47 O ARG A 4 3.484 0.485 -9.870 1.00 0.00 O ATOM 48 CB ARG A 4 0.139 0.187 -9.822 1.00 0.00 C ATOM 49 CG ARG A 4 -0.925 -0.631 -10.534 1.00 0.00 C ATOM 50 CD ARG A 4 -0.409 -1.194 -11.849 1.00 0.00 C ATOM 51 NE ARG A 4 -1.493 -1.662 -12.708 1.00 0.00 N ATOM 52 CZ ARG A 4 -1.322 -2.523 -13.705 1.00 0.00 C ATOM 53 NH1 ARG A 4 -0.116 -3.008 -13.966 1.00 0.00 N ATOM 54 NH2 ARG A 4 -2.358 -2.901 -14.442 1.00 0.00 N ATOM 0 H ARG A 4 0.224 -1.342 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 4 1.689 -1.217 -10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -0.288 0.610 -8.912 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.428 1.024 -10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.249 -1.448 -9.889 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.799 -0.008 -10.722 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.162 -0.427 -12.372 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.275 -2.018 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.434 -1.308 -12.533 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.683 -2.720 -13.401 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.013 -3.669 -14.732 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.287 -2.530 -14.243 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -2.225 -3.562 -15.207 1.00 0.00 H new ATOM 68 N VAL A 5 2.430 0.961 -7.939 1.00 0.00 N ATOM 69 CA VAL A 5 3.454 1.893 -7.483 1.00 0.00 C ATOM 70 C VAL A 5 4.742 1.161 -7.122 1.00 0.00 C ATOM 71 O VAL A 5 5.840 1.654 -7.378 1.00 0.00 O ATOM 72 CB VAL A 5 2.975 2.699 -6.260 1.00 0.00 C ATOM 73 CG1 VAL A 5 1.793 3.581 -6.632 1.00 0.00 C ATOM 74 CG2 VAL A 5 2.614 1.764 -5.115 1.00 0.00 C ATOM 0 H VAL A 5 1.649 0.843 -7.294 1.00 0.00 H new ATOM 0 HA VAL A 5 3.648 2.579 -8.308 1.00 0.00 H new ATOM 0 HB VAL A 5 3.789 3.344 -5.929 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.468 4.143 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.090 4.275 -7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.972 2.958 -6.988 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.278 2.350 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.816 1.093 -5.431 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.490 1.179 -4.833 1.00 0.00 H new ATOM 84 N ARG A 6 4.598 -0.019 -6.528 1.00 0.00 N ATOM 85 CA ARG A 6 5.750 -0.820 -6.131 1.00 0.00 C ATOM 86 C ARG A 6 6.623 -1.152 -7.338 1.00 0.00 C ATOM 87 O ARG A 6 7.849 -1.171 -7.242 1.00 0.00 O ATOM 88 CB ARG A 6 5.291 -2.110 -5.450 1.00 0.00 C ATOM 89 CG ARG A 6 6.399 -2.829 -4.698 1.00 0.00 C ATOM 90 CD ARG A 6 5.907 -3.369 -3.364 1.00 0.00 C ATOM 91 NE ARG A 6 6.922 -4.177 -2.692 1.00 0.00 N ATOM 92 CZ ARG A 6 7.286 -5.387 -3.101 1.00 0.00 C ATOM 93 NH1 ARG A 6 6.722 -5.926 -4.173 1.00 0.00 N ATOM 94 NH2 ARG A 6 8.217 -6.060 -2.438 1.00 0.00 N ATOM 0 H ARG A 6 3.695 -0.442 -6.311 1.00 0.00 H new ATOM 0 HA ARG A 6 6.341 -0.236 -5.426 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.484 -1.877 -4.755 1.00 0.00 H new ATOM 0 HB3 ARG A 6 4.879 -2.782 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.780 -3.650 -5.306 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.230 -2.144 -4.530 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.621 -2.538 -2.720 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.012 -3.971 -3.524 1.00 0.00 H new ATOM 0 HE ARG A 6 7.376 -3.791 -1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.006 -5.411 -4.686 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.004 -6.855 -4.485 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.654 -5.648 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.496 -6.989 -2.753 1.00 0.00 H new ATOM 108 N GLU A 7 5.981 -1.413 -8.473 1.00 0.00 N ATOM 109 CA GLU A 7 6.699 -1.745 -9.697 1.00 0.00 C ATOM 110 C GLU A 7 7.589 -0.586 -10.138 1.00 0.00 C ATOM 111 O GLU A 7 8.745 -0.784 -10.508 1.00 0.00 O ATOM 112 CB GLU A 7 5.713 -2.099 -10.813 1.00 0.00 C ATOM 113 CG GLU A 7 6.199 -3.214 -11.723 1.00 0.00 C ATOM 114 CD GLU A 7 6.275 -4.553 -11.016 1.00 0.00 C ATOM 115 OE1 GLU A 7 5.234 -5.236 -10.924 1.00 0.00 O ATOM 116 OE2 GLU A 7 7.377 -4.918 -10.555 1.00 0.00 O ATOM 0 H GLU A 7 4.966 -1.401 -8.569 1.00 0.00 H new ATOM 0 HA GLU A 7 7.332 -2.609 -9.493 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.763 -2.393 -10.367 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.521 -1.209 -11.413 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.529 -3.297 -12.579 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.184 -2.957 -12.112 1.00 0.00 H new ATOM 123 N ALA A 8 7.039 0.623 -10.095 1.00 0.00 N ATOM 124 CA ALA A 8 7.782 1.814 -10.487 1.00 0.00 C ATOM 125 C ALA A 8 9.041 1.979 -9.643 1.00 0.00 C ATOM 126 O ALA A 8 10.076 2.432 -10.135 1.00 0.00 O ATOM 127 CB ALA A 8 6.901 3.049 -10.371 1.00 0.00 C ATOM 0 H ALA A 8 6.082 0.803 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 8 8.086 1.695 -11.527 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.470 3.931 -10.667 1.00 0.00 H new ATOM 0 HB2 ALA A 8 6.034 2.940 -11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 6.567 3.162 -9.340 1.00 0.00 H new ATOM 133 N CYS A 9 8.947 1.610 -8.370 1.00 0.00 N ATOM 134 CA CYS A 9 10.078 1.719 -7.457 1.00 0.00 C ATOM 135 C CYS A 9 11.259 0.891 -7.953 1.00 0.00 C ATOM 136 O CYS A 9 12.416 1.269 -7.767 1.00 0.00 O ATOM 137 CB CYS A 9 9.674 1.264 -6.054 1.00 0.00 C ATOM 138 SG CYS A 9 8.452 2.331 -5.255 1.00 0.00 S ATOM 0 H CYS A 9 8.099 1.233 -7.947 1.00 0.00 H new ATOM 0 HA CYS A 9 10.382 2.765 -7.418 1.00 0.00 H new ATOM 0 HB2 CYS A 9 9.273 0.252 -6.113 1.00 0.00 H new ATOM 0 HB3 CYS A 9 10.565 1.218 -5.428 1.00 0.00 H new ATOM 0 HG CYS A 9 9.047 3.105 -4.397 1.00 0.00 H new ATOM 144 N GLN A 10 10.959 -0.241 -8.582 1.00 0.00 N ATOM 145 CA GLN A 10 11.996 -1.124 -9.102 1.00 0.00 C ATOM 146 C GLN A 10 12.838 -0.412 -10.156 1.00 0.00 C ATOM 147 O GLN A 10 14.063 -0.530 -10.170 1.00 0.00 O ATOM 148 CB GLN A 10 11.369 -2.385 -9.699 1.00 0.00 C ATOM 149 CG GLN A 10 12.292 -3.593 -9.674 1.00 0.00 C ATOM 150 CD GLN A 10 13.321 -3.564 -10.787 1.00 0.00 C ATOM 151 OE1 GLN A 10 13.025 -3.157 -11.911 1.00 0.00 O ATOM 152 NE2 GLN A 10 14.539 -3.995 -10.480 1.00 0.00 N ATOM 0 H GLN A 10 10.006 -0.568 -8.744 1.00 0.00 H new ATOM 0 HA GLN A 10 12.646 -1.407 -8.274 1.00 0.00 H new ATOM 0 HB2 GLN A 10 10.458 -2.623 -9.150 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.077 -2.183 -10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.804 -3.635 -8.712 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.697 -4.502 -9.758 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.741 -4.324 -9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.273 -3.997 -11.188 1.00 0.00 H new ATOM 161 N TYR A 11 12.172 0.325 -11.038 1.00 0.00 N ATOM 162 CA TYR A 11 12.859 1.054 -12.098 1.00 0.00 C ATOM 163 C TYR A 11 13.668 2.214 -11.527 1.00 0.00 C ATOM 164 O TYR A 11 14.819 2.430 -11.907 1.00 0.00 O ATOM 165 CB TYR A 11 11.851 1.576 -13.123 1.00 0.00 C ATOM 166 CG TYR A 11 12.448 2.539 -14.124 1.00 0.00 C ATOM 167 CD1 TYR A 11 13.491 2.148 -14.956 1.00 0.00 C ATOM 168 CD2 TYR A 11 11.972 3.839 -14.238 1.00 0.00 C ATOM 169 CE1 TYR A 11 14.041 3.024 -15.872 1.00 0.00 C ATOM 170 CE2 TYR A 11 12.514 4.721 -15.152 1.00 0.00 C ATOM 171 CZ TYR A 11 13.549 4.309 -15.966 1.00 0.00 C ATOM 172 OH TYR A 11 14.093 5.186 -16.877 1.00 0.00 O ATOM 0 H TYR A 11 11.158 0.433 -11.040 1.00 0.00 H new ATOM 0 HA TYR A 11 13.545 0.365 -12.591 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.419 0.730 -13.658 1.00 0.00 H new ATOM 0 HB3 TYR A 11 11.035 2.071 -12.597 1.00 0.00 H new ATOM 0 HD1 TYR A 11 13.878 1.142 -14.885 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.164 4.166 -13.601 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.851 2.704 -16.511 1.00 0.00 H new ATOM 0 HE2 TYR A 11 12.130 5.727 -15.229 1.00 0.00 H new ATOM 0 HH TYR A 11 14.429 4.687 -17.651 1.00 0.00 H new ATOM 182 N ILE A 12 13.058 2.957 -10.610 1.00 0.00 N ATOM 183 CA ILE A 12 13.721 4.094 -9.983 1.00 0.00 C ATOM 184 C ILE A 12 14.944 3.648 -9.190 1.00 0.00 C ATOM 185 O ILE A 12 16.003 4.273 -9.259 1.00 0.00 O ATOM 186 CB ILE A 12 12.765 4.856 -9.046 1.00 0.00 C ATOM 187 CG1 ILE A 12 11.521 5.311 -9.811 1.00 0.00 C ATOM 188 CG2 ILE A 12 13.475 6.049 -8.422 1.00 0.00 C ATOM 189 CD1 ILE A 12 10.391 5.764 -8.913 1.00 0.00 C ATOM 0 H ILE A 12 12.105 2.792 -10.284 1.00 0.00 H new ATOM 0 HA ILE A 12 14.035 4.759 -10.787 1.00 0.00 H new ATOM 0 HB ILE A 12 12.452 4.185 -8.247 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.794 6.128 -10.479 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.170 4.491 -10.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 12.787 6.578 -7.762 1.00 0.00 H new ATOM 0 HG22 ILE A 12 14.334 5.702 -7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.814 6.723 -9.209 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.542 6.072 -9.524 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.091 4.942 -8.263 1.00 0.00 H new ATOM 0 HD13 ILE A 12 10.724 6.605 -8.304 1.00 0.00 H new ATOM 201 N SER A 13 14.792 2.562 -8.438 1.00 0.00 N ATOM 202 CA SER A 13 15.884 2.033 -7.630 1.00 0.00 C ATOM 203 C SER A 13 17.087 1.687 -8.502 1.00 0.00 C ATOM 204 O SER A 13 18.231 1.958 -8.136 1.00 0.00 O ATOM 205 CB SER A 13 15.424 0.793 -6.861 1.00 0.00 C ATOM 206 OG SER A 13 14.474 1.133 -5.866 1.00 0.00 O ATOM 0 H SER A 13 13.923 2.032 -8.372 1.00 0.00 H new ATOM 0 HA SER A 13 16.182 2.803 -6.918 1.00 0.00 H new ATOM 0 HB2 SER A 13 14.988 0.073 -7.553 1.00 0.00 H new ATOM 0 HB3 SER A 13 16.284 0.309 -6.397 1.00 0.00 H new ATOM 0 HG SER A 13 13.594 1.252 -6.281 1.00 0.00 H new ATOM 212 N ASP A 14 16.820 1.087 -9.657 1.00 0.00 N ATOM 213 CA ASP A 14 17.879 0.705 -10.583 1.00 0.00 C ATOM 214 C ASP A 14 18.585 1.937 -11.140 1.00 0.00 C ATOM 215 O ASP A 14 19.795 1.921 -11.371 1.00 0.00 O ATOM 216 CB ASP A 14 17.307 -0.132 -11.728 1.00 0.00 C ATOM 217 CG ASP A 14 16.940 -1.537 -11.292 1.00 0.00 C ATOM 218 OD1 ASP A 14 16.972 -1.807 -10.072 1.00 0.00 O ATOM 219 OD2 ASP A 14 16.621 -2.366 -12.169 1.00 0.00 O ATOM 0 H ASP A 14 15.879 0.855 -9.974 1.00 0.00 H new ATOM 0 HA ASP A 14 18.608 0.108 -10.036 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.423 0.363 -12.129 1.00 0.00 H new ATOM 0 HB3 ASP A 14 18.037 -0.185 -12.536 1.00 0.00 H new ATOM 224 N HIS A 15 17.822 3.003 -11.355 1.00 0.00 N ATOM 225 CA HIS A 15 18.374 4.244 -11.886 1.00 0.00 C ATOM 226 C HIS A 15 18.685 5.226 -10.761 1.00 0.00 C ATOM 227 O HIS A 15 18.841 6.426 -10.994 1.00 0.00 O ATOM 228 CB HIS A 15 17.398 4.879 -12.877 1.00 0.00 C ATOM 229 CG HIS A 15 17.461 4.277 -14.248 1.00 0.00 C ATOM 230 ND1 HIS A 15 17.816 4.996 -15.370 1.00 0.00 N ATOM 231 CD2 HIS A 15 17.212 3.017 -14.673 1.00 0.00 C ATOM 232 CE1 HIS A 15 17.781 4.204 -16.426 1.00 0.00 C ATOM 233 NE2 HIS A 15 17.418 2.997 -16.031 1.00 0.00 N ATOM 0 H HIS A 15 16.819 3.033 -11.170 1.00 0.00 H new ATOM 0 HA HIS A 15 19.303 4.006 -12.404 1.00 0.00 H new ATOM 0 HB2 HIS A 15 16.384 4.778 -12.491 1.00 0.00 H new ATOM 0 HB3 HIS A 15 17.607 5.946 -12.948 1.00 0.00 H new ATOM 0 HD2 HIS A 15 16.908 2.182 -14.059 1.00 0.00 H new ATOM 0 HE1 HIS A 15 18.010 4.494 -17.441 1.00 0.00 H new ATOM 0 HE2 HIS A 15 17.309 2.183 -16.636 1.00 0.00 H new ATOM 241 N LEU A 16 18.772 4.711 -9.539 1.00 0.00 N ATOM 242 CA LEU A 16 19.064 5.542 -8.377 1.00 0.00 C ATOM 243 C LEU A 16 20.421 6.223 -8.521 1.00 0.00 C ATOM 244 O LEU A 16 20.647 7.301 -7.972 1.00 0.00 O ATOM 245 CB LEU A 16 19.037 4.698 -7.102 1.00 0.00 C ATOM 246 CG LEU A 16 19.001 5.472 -5.784 1.00 0.00 C ATOM 247 CD1 LEU A 16 17.609 6.030 -5.531 1.00 0.00 C ATOM 248 CD2 LEU A 16 19.439 4.583 -4.630 1.00 0.00 C ATOM 0 H LEU A 16 18.644 3.721 -9.328 1.00 0.00 H new ATOM 0 HA LEU A 16 18.297 6.313 -8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.165 4.046 -7.141 1.00 0.00 H new ATOM 0 HB3 LEU A 16 19.917 4.054 -7.098 1.00 0.00 H new ATOM 0 HG LEU A 16 19.698 6.307 -5.857 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.602 6.578 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.333 6.702 -6.343 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.892 5.210 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 16 19.407 5.151 -3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.768 3.727 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU A 16 20.456 4.233 -4.806 1.00 0.00 H new ATOM 260 N ALA A 17 21.320 5.588 -9.265 1.00 0.00 N ATOM 261 CA ALA A 17 22.654 6.134 -9.484 1.00 0.00 C ATOM 262 C ALA A 17 22.677 7.052 -10.702 1.00 0.00 C ATOM 263 O ALA A 17 23.564 7.894 -10.840 1.00 0.00 O ATOM 264 CB ALA A 17 23.665 5.009 -9.649 1.00 0.00 C ATOM 0 H ALA A 17 21.149 4.695 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 17 22.926 6.726 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.656 5.432 -9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.676 4.395 -8.749 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.388 4.394 -10.505 1.00 0.00 H new ATOM 270 N ASP A 18 21.698 6.882 -11.584 1.00 0.00 N ATOM 271 CA ASP A 18 21.606 7.695 -12.791 1.00 0.00 C ATOM 272 C ASP A 18 21.323 9.154 -12.443 1.00 0.00 C ATOM 273 O ASP A 18 20.552 9.446 -11.529 1.00 0.00 O ATOM 274 CB ASP A 18 20.511 7.156 -13.712 1.00 0.00 C ATOM 275 CG ASP A 18 21.024 6.090 -14.660 1.00 0.00 C ATOM 276 OD1 ASP A 18 21.211 4.939 -14.213 1.00 0.00 O ATOM 277 OD2 ASP A 18 21.239 6.406 -15.848 1.00 0.00 O ATOM 0 H ASP A 18 20.957 6.188 -11.486 1.00 0.00 H new ATOM 0 HA ASP A 18 22.564 7.643 -13.309 1.00 0.00 H new ATOM 0 HB2 ASP A 18 19.703 6.743 -13.108 1.00 0.00 H new ATOM 0 HB3 ASP A 18 20.089 7.978 -14.289 1.00 0.00 H new ATOM 282 N SER A 19 21.954 10.064 -13.178 1.00 0.00 N ATOM 283 CA SER A 19 21.774 11.493 -12.944 1.00 0.00 C ATOM 284 C SER A 19 20.489 11.993 -13.597 1.00 0.00 C ATOM 285 O SER A 19 19.668 12.646 -12.956 1.00 0.00 O ATOM 286 CB SER A 19 22.972 12.274 -13.486 1.00 0.00 C ATOM 287 OG SER A 19 22.881 13.647 -13.148 1.00 0.00 O ATOM 0 H SER A 19 22.594 9.838 -13.940 1.00 0.00 H new ATOM 0 HA SER A 19 21.700 11.654 -11.868 1.00 0.00 H new ATOM 0 HB2 SER A 19 23.895 11.857 -13.082 1.00 0.00 H new ATOM 0 HB3 SER A 19 23.021 12.165 -14.569 1.00 0.00 H new ATOM 0 HG SER A 19 23.659 14.124 -13.505 1.00 0.00 H new ATOM 293 N ASN A 20 20.323 11.679 -14.878 1.00 0.00 N ATOM 294 CA ASN A 20 19.139 12.097 -15.620 1.00 0.00 C ATOM 295 C ASN A 20 17.947 11.203 -15.290 1.00 0.00 C ATOM 296 O ASN A 20 17.889 10.047 -15.709 1.00 0.00 O ATOM 297 CB ASN A 20 19.416 12.061 -17.125 1.00 0.00 C ATOM 298 CG ASN A 20 19.960 13.378 -17.644 1.00 0.00 C ATOM 299 OD1 ASN A 20 19.383 14.439 -17.402 1.00 0.00 O ATOM 300 ND2 ASN A 20 21.075 13.316 -18.361 1.00 0.00 N ATOM 0 H ASN A 20 20.993 11.137 -15.423 1.00 0.00 H new ATOM 0 HA ASN A 20 18.898 13.118 -15.326 1.00 0.00 H new ATOM 0 HB2 ASN A 20 20.129 11.266 -17.342 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.496 11.817 -17.655 1.00 0.00 H new ATOM 0 HD21 ASN A 20 21.488 14.170 -18.737 1.00 0.00 H new ATOM 0 HD22 ASN A 20 21.519 12.415 -18.537 1.00 0.00 H new ATOM 307 N PHE A 21 16.998 11.748 -14.535 1.00 0.00 N ATOM 308 CA PHE A 21 15.807 11.000 -14.148 1.00 0.00 C ATOM 309 C PHE A 21 14.561 11.582 -14.809 1.00 0.00 C ATOM 310 O PHE A 21 14.277 12.773 -14.685 1.00 0.00 O ATOM 311 CB PHE A 21 15.644 11.013 -12.627 1.00 0.00 C ATOM 312 CG PHE A 21 14.487 10.188 -12.141 1.00 0.00 C ATOM 313 CD1 PHE A 21 14.273 8.912 -12.637 1.00 0.00 C ATOM 314 CD2 PHE A 21 13.614 10.687 -11.188 1.00 0.00 C ATOM 315 CE1 PHE A 21 13.209 8.150 -12.192 1.00 0.00 C ATOM 316 CE2 PHE A 21 12.548 9.930 -10.739 1.00 0.00 C ATOM 317 CZ PHE A 21 12.346 8.659 -11.241 1.00 0.00 C ATOM 0 H PHE A 21 17.031 12.704 -14.180 1.00 0.00 H new ATOM 0 HA PHE A 21 15.929 9.971 -14.485 1.00 0.00 H new ATOM 0 HB2 PHE A 21 16.561 10.644 -12.168 1.00 0.00 H new ATOM 0 HB3 PHE A 21 15.512 12.042 -12.293 1.00 0.00 H new ATOM 0 HD1 PHE A 21 14.945 8.508 -13.380 1.00 0.00 H new ATOM 0 HD2 PHE A 21 13.768 11.679 -10.791 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.052 7.157 -12.588 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.874 10.332 -9.997 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.515 8.065 -10.891 1.00 0.00 H new ATOM 327 N ASP A 22 13.822 10.732 -15.513 1.00 0.00 N ATOM 328 CA ASP A 22 12.606 11.160 -16.195 1.00 0.00 C ATOM 329 C ASP A 22 11.381 10.462 -15.610 1.00 0.00 C ATOM 330 O ASP A 22 11.216 9.251 -15.757 1.00 0.00 O ATOM 331 CB ASP A 22 12.706 10.869 -17.693 1.00 0.00 C ATOM 332 CG ASP A 22 11.523 11.414 -18.469 1.00 0.00 C ATOM 333 OD1 ASP A 22 10.740 12.194 -17.887 1.00 0.00 O ATOM 334 OD2 ASP A 22 11.378 11.059 -19.658 1.00 0.00 O ATOM 0 H ASP A 22 14.043 9.743 -15.626 1.00 0.00 H new ATOM 0 HA ASP A 22 12.496 12.234 -16.048 1.00 0.00 H new ATOM 0 HB2 ASP A 22 13.625 11.305 -18.084 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.773 9.792 -17.847 1.00 0.00 H new ATOM 339 N ILE A 23 10.527 11.235 -14.947 1.00 0.00 N ATOM 340 CA ILE A 23 9.319 10.691 -14.340 1.00 0.00 C ATOM 341 C ILE A 23 8.472 9.951 -15.370 1.00 0.00 C ATOM 342 O ILE A 23 7.704 9.052 -15.026 1.00 0.00 O ATOM 343 CB ILE A 23 8.467 11.799 -13.692 1.00 0.00 C ATOM 344 CG1 ILE A 23 7.361 11.184 -12.832 1.00 0.00 C ATOM 345 CG2 ILE A 23 7.873 12.704 -14.761 1.00 0.00 C ATOM 346 CD1 ILE A 23 6.480 12.211 -12.156 1.00 0.00 C ATOM 0 H ILE A 23 10.650 12.239 -14.817 1.00 0.00 H new ATOM 0 HA ILE A 23 9.641 9.992 -13.568 1.00 0.00 H new ATOM 0 HB ILE A 23 9.109 12.402 -13.049 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.742 10.541 -13.457 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.814 10.549 -12.071 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.274 13.482 -14.287 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.677 13.165 -15.336 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.242 12.115 -15.427 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.719 11.704 -11.563 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.088 12.839 -11.505 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.998 12.831 -12.912 1.00 0.00 H new ATOM 358 N ALA A 24 8.619 10.334 -16.634 1.00 0.00 N ATOM 359 CA ALA A 24 7.871 9.704 -17.714 1.00 0.00 C ATOM 360 C ALA A 24 8.179 8.213 -17.799 1.00 0.00 C ATOM 361 O ALA A 24 7.281 7.393 -17.990 1.00 0.00 O ATOM 362 CB ALA A 24 8.182 10.385 -19.039 1.00 0.00 C ATOM 0 H ALA A 24 9.249 11.077 -16.935 1.00 0.00 H new ATOM 0 HA ALA A 24 6.808 9.817 -17.500 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.616 9.904 -19.837 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.905 11.438 -18.981 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.248 10.302 -19.249 1.00 0.00 H new ATOM 368 N SER A 25 9.455 7.868 -17.657 1.00 0.00 N ATOM 369 CA SER A 25 9.882 6.475 -17.723 1.00 0.00 C ATOM 370 C SER A 25 9.259 5.662 -16.593 1.00 0.00 C ATOM 371 O SER A 25 9.026 4.461 -16.731 1.00 0.00 O ATOM 372 CB SER A 25 11.408 6.384 -17.650 1.00 0.00 C ATOM 373 OG SER A 25 12.007 6.936 -18.810 1.00 0.00 O ATOM 0 H SER A 25 10.211 8.534 -17.496 1.00 0.00 H new ATOM 0 HA SER A 25 9.545 6.062 -18.674 1.00 0.00 H new ATOM 0 HB2 SER A 25 11.765 6.912 -16.766 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.709 5.342 -17.542 1.00 0.00 H new ATOM 0 HG SER A 25 12.982 6.867 -18.739 1.00 0.00 H new ATOM 379 N VAL A 26 8.990 6.326 -15.473 1.00 0.00 N ATOM 380 CA VAL A 26 8.392 5.667 -14.318 1.00 0.00 C ATOM 381 C VAL A 26 6.963 5.228 -14.614 1.00 0.00 C ATOM 382 O VAL A 26 6.596 4.076 -14.385 1.00 0.00 O ATOM 383 CB VAL A 26 8.390 6.589 -13.084 1.00 0.00 C ATOM 384 CG1 VAL A 26 7.728 5.897 -11.902 1.00 0.00 C ATOM 385 CG2 VAL A 26 9.808 7.017 -12.737 1.00 0.00 C ATOM 0 H VAL A 26 9.177 7.320 -15.341 1.00 0.00 H new ATOM 0 HA VAL A 26 9.001 4.789 -14.105 1.00 0.00 H new ATOM 0 HB VAL A 26 7.813 7.483 -13.320 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.736 6.563 -11.039 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.699 5.646 -12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.275 4.985 -11.661 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.788 7.668 -11.863 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.411 6.136 -12.519 1.00 0.00 H new ATOM 0 HG23 VAL A 26 10.242 7.555 -13.580 1.00 0.00 H new ATOM 395 N ALA A 27 6.159 6.156 -15.125 1.00 0.00 N ATOM 396 CA ALA A 27 4.770 5.865 -15.456 1.00 0.00 C ATOM 397 C ALA A 27 4.676 4.884 -16.620 1.00 0.00 C ATOM 398 O ALA A 27 3.853 3.969 -16.608 1.00 0.00 O ATOM 399 CB ALA A 27 4.025 7.150 -15.784 1.00 0.00 C ATOM 0 H ALA A 27 6.447 7.115 -15.318 1.00 0.00 H new ATOM 0 HA ALA A 27 4.305 5.401 -14.586 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.989 6.917 -16.029 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.053 7.817 -14.922 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.499 7.638 -16.636 1.00 0.00 H new ATOM 405 N GLN A 28 5.524 5.083 -17.624 1.00 0.00 N ATOM 406 CA GLN A 28 5.534 4.216 -18.797 1.00 0.00 C ATOM 407 C GLN A 28 5.893 2.785 -18.413 1.00 0.00 C ATOM 408 O GLN A 28 5.355 1.828 -18.970 1.00 0.00 O ATOM 409 CB GLN A 28 6.526 4.742 -19.837 1.00 0.00 C ATOM 410 CG GLN A 28 6.736 3.797 -21.009 1.00 0.00 C ATOM 411 CD GLN A 28 7.210 4.514 -22.258 1.00 0.00 C ATOM 412 OE1 GLN A 28 8.254 4.180 -22.820 1.00 0.00 O ATOM 413 NE2 GLN A 28 6.445 5.505 -22.700 1.00 0.00 N ATOM 0 H GLN A 28 6.212 5.836 -17.649 1.00 0.00 H new ATOM 0 HA GLN A 28 4.532 4.217 -19.227 1.00 0.00 H new ATOM 0 HB2 GLN A 28 6.171 5.701 -20.213 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.485 4.925 -19.352 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.466 3.037 -20.732 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.802 3.278 -21.225 1.00 0.00 H new ATOM 0 HE21 GLN A 28 5.588 5.748 -22.203 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.714 6.023 -23.536 1.00 0.00 H new ATOM 422 N HIS A 29 6.807 2.645 -17.458 1.00 0.00 N ATOM 423 CA HIS A 29 7.238 1.329 -16.999 1.00 0.00 C ATOM 424 C HIS A 29 6.053 0.519 -16.483 1.00 0.00 C ATOM 425 O HIS A 29 6.005 -0.701 -16.644 1.00 0.00 O ATOM 426 CB HIS A 29 8.292 1.469 -15.900 1.00 0.00 C ATOM 427 CG HIS A 29 8.593 0.185 -15.191 1.00 0.00 C ATOM 428 ND1 HIS A 29 8.657 -1.033 -15.835 1.00 0.00 N ATOM 429 CD2 HIS A 29 8.849 -0.067 -13.886 1.00 0.00 C ATOM 430 CE1 HIS A 29 8.938 -1.979 -14.957 1.00 0.00 C ATOM 431 NE2 HIS A 29 9.060 -1.419 -13.767 1.00 0.00 N ATOM 0 H HIS A 29 7.263 3.426 -16.987 1.00 0.00 H new ATOM 0 HA HIS A 29 7.675 0.801 -17.846 1.00 0.00 H new ATOM 0 HB2 HIS A 29 9.212 1.857 -16.338 1.00 0.00 H new ATOM 0 HB3 HIS A 29 7.950 2.205 -15.172 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.881 0.659 -13.087 1.00 0.00 H new ATOM 0 HE1 HIS A 29 9.049 -3.031 -15.175 1.00 0.00 H new ATOM 0 HE2 HIS A 29 9.276 -1.911 -12.900 1.00 0.00 H new ATOM 439 N VAL A 30 5.099 1.204 -15.862 1.00 0.00 N ATOM 440 CA VAL A 30 3.914 0.548 -15.323 1.00 0.00 C ATOM 441 C VAL A 30 2.741 0.648 -16.292 1.00 0.00 C ATOM 442 O VAL A 30 1.588 0.441 -15.911 1.00 0.00 O ATOM 443 CB VAL A 30 3.500 1.159 -13.970 1.00 0.00 C ATOM 444 CG1 VAL A 30 4.587 0.935 -12.929 1.00 0.00 C ATOM 445 CG2 VAL A 30 3.196 2.641 -14.126 1.00 0.00 C ATOM 0 H VAL A 30 5.123 2.214 -15.720 1.00 0.00 H new ATOM 0 HA VAL A 30 4.173 -0.501 -15.177 1.00 0.00 H new ATOM 0 HB VAL A 30 2.593 0.660 -13.627 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.278 1.373 -11.980 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.751 -0.135 -12.799 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.512 1.406 -13.262 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.905 3.056 -13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.083 3.158 -14.491 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.381 2.772 -14.838 1.00 0.00 H new ATOM 455 N CYS A 31 3.043 0.966 -17.546 1.00 0.00 N ATOM 456 CA CYS A 31 2.014 1.094 -18.571 1.00 0.00 C ATOM 457 C CYS A 31 0.897 2.024 -18.108 1.00 0.00 C ATOM 458 O CYS A 31 -0.277 1.798 -18.403 1.00 0.00 O ATOM 459 CB CYS A 31 1.438 -0.279 -18.920 1.00 0.00 C ATOM 460 SG CYS A 31 2.522 -1.293 -19.953 1.00 0.00 S ATOM 0 H CYS A 31 3.992 1.140 -17.877 1.00 0.00 H new ATOM 0 HA CYS A 31 2.475 1.524 -19.461 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.226 -0.818 -17.996 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.487 -0.142 -19.435 1.00 0.00 H new ATOM 0 HG CYS A 31 1.949 -2.435 -20.192 1.00 0.00 H new ATOM 466 N LEU A 32 1.271 3.071 -17.380 1.00 0.00 N ATOM 467 CA LEU A 32 0.301 4.036 -16.873 1.00 0.00 C ATOM 468 C LEU A 32 0.817 5.462 -17.034 1.00 0.00 C ATOM 469 O LEU A 32 2.008 5.681 -17.254 1.00 0.00 O ATOM 470 CB LEU A 32 -0.007 3.755 -15.401 1.00 0.00 C ATOM 471 CG LEU A 32 -1.473 3.482 -15.062 1.00 0.00 C ATOM 472 CD1 LEU A 32 -1.581 2.419 -13.979 1.00 0.00 C ATOM 473 CD2 LEU A 32 -2.167 4.763 -14.626 1.00 0.00 C ATOM 0 H LEU A 32 2.238 3.273 -17.128 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.615 3.933 -17.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.584 2.896 -15.084 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.329 4.608 -14.811 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.970 3.110 -15.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.631 2.238 -13.751 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.121 1.495 -14.329 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.068 2.762 -13.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.209 4.550 -14.389 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.669 5.164 -13.744 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.121 5.494 -15.433 1.00 0.00 H new ATOM 485 N SER A 33 -0.088 6.429 -16.920 1.00 0.00 N ATOM 486 CA SER A 33 0.276 7.835 -17.053 1.00 0.00 C ATOM 487 C SER A 33 0.996 8.331 -15.803 1.00 0.00 C ATOM 488 O SER A 33 0.869 7.766 -14.717 1.00 0.00 O ATOM 489 CB SER A 33 -0.971 8.684 -17.308 1.00 0.00 C ATOM 490 OG SER A 33 -2.036 7.891 -17.803 1.00 0.00 O ATOM 0 H SER A 33 -1.078 6.265 -16.736 1.00 0.00 H new ATOM 0 HA SER A 33 0.953 7.931 -17.902 1.00 0.00 H new ATOM 0 HB2 SER A 33 -1.277 9.173 -16.383 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.738 9.473 -18.023 1.00 0.00 H new ATOM 0 HG SER A 33 -2.821 8.457 -17.956 1.00 0.00 H new ATOM 496 N PRO A 34 1.772 9.414 -15.959 1.00 0.00 N ATOM 497 CA PRO A 34 2.528 10.012 -14.854 1.00 0.00 C ATOM 498 C PRO A 34 1.622 10.687 -13.830 1.00 0.00 C ATOM 499 O PRO A 34 1.858 10.599 -12.625 1.00 0.00 O ATOM 500 CB PRO A 34 3.413 11.048 -15.551 1.00 0.00 C ATOM 501 CG PRO A 34 2.680 11.395 -16.800 1.00 0.00 C ATOM 502 CD PRO A 34 1.970 10.139 -17.225 1.00 0.00 C ATOM 0 HA PRO A 34 3.086 9.265 -14.290 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.563 11.926 -14.923 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.400 10.641 -15.771 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.971 12.204 -16.625 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.367 11.736 -17.574 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.021 10.360 -17.714 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.566 9.560 -17.931 1.00 0.00 H new ATOM 510 N SER A 35 0.585 11.361 -14.317 1.00 0.00 N ATOM 511 CA SER A 35 -0.355 12.054 -13.444 1.00 0.00 C ATOM 512 C SER A 35 -1.164 11.059 -12.617 1.00 0.00 C ATOM 513 O SER A 35 -1.316 11.219 -11.406 1.00 0.00 O ATOM 514 CB SER A 35 -1.296 12.934 -14.268 1.00 0.00 C ATOM 515 OG SER A 35 -0.591 13.997 -14.886 1.00 0.00 O ATOM 0 H SER A 35 0.375 11.442 -15.312 1.00 0.00 H new ATOM 0 HA SER A 35 0.217 12.685 -12.764 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.790 12.330 -15.029 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.078 13.338 -13.625 1.00 0.00 H new ATOM 0 HG SER A 35 -1.215 14.543 -15.408 1.00 0.00 H new ATOM 521 N ARG A 36 -1.681 10.030 -13.282 1.00 0.00 N ATOM 522 CA ARG A 36 -2.475 9.009 -12.610 1.00 0.00 C ATOM 523 C ARG A 36 -1.615 8.198 -11.645 1.00 0.00 C ATOM 524 O ARG A 36 -2.039 7.884 -10.532 1.00 0.00 O ATOM 525 CB ARG A 36 -3.123 8.079 -13.638 1.00 0.00 C ATOM 526 CG ARG A 36 -4.505 7.592 -13.233 1.00 0.00 C ATOM 527 CD ARG A 36 -4.426 6.542 -12.135 1.00 0.00 C ATOM 528 NE ARG A 36 -5.692 5.836 -11.961 1.00 0.00 N ATOM 529 CZ ARG A 36 -6.180 4.973 -12.846 1.00 0.00 C ATOM 530 NH1 ARG A 36 -5.510 4.711 -13.960 1.00 0.00 N ATOM 531 NH2 ARG A 36 -7.339 4.370 -12.616 1.00 0.00 N ATOM 0 H ARG A 36 -1.564 9.882 -14.284 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.257 9.510 -12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.196 8.601 -14.592 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.475 7.217 -13.795 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.103 8.436 -12.889 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.014 7.174 -14.102 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.641 5.825 -12.375 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.145 7.020 -11.196 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.231 6.015 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.618 5.172 -14.139 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.887 4.048 -14.638 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.856 4.569 -11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.713 3.708 -13.296 1.00 0.00 H new ATOM 545 N LEU A 37 -0.406 7.861 -12.079 1.00 0.00 N ATOM 546 CA LEU A 37 0.515 7.086 -11.255 1.00 0.00 C ATOM 547 C LEU A 37 1.007 7.908 -10.068 1.00 0.00 C ATOM 548 O LEU A 37 1.057 7.420 -8.939 1.00 0.00 O ATOM 549 CB LEU A 37 1.705 6.612 -12.091 1.00 0.00 C ATOM 550 CG LEU A 37 2.816 5.891 -11.328 1.00 0.00 C ATOM 551 CD1 LEU A 37 2.459 4.427 -11.121 1.00 0.00 C ATOM 552 CD2 LEU A 37 4.140 6.020 -12.067 1.00 0.00 C ATOM 0 H LEU A 37 -0.040 8.112 -12.997 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.021 6.217 -10.874 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.334 5.945 -12.869 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.139 7.477 -12.593 1.00 0.00 H new ATOM 0 HG LEU A 37 2.922 6.359 -10.349 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.262 3.930 -10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.534 4.355 -10.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.325 3.945 -12.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.920 5.501 -11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.048 5.578 -13.059 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.402 7.074 -12.162 1.00 0.00 H new ATOM 564 N SER A 38 1.368 9.160 -10.332 1.00 0.00 N ATOM 565 CA SER A 38 1.859 10.050 -9.286 1.00 0.00 C ATOM 566 C SER A 38 0.808 10.239 -8.197 1.00 0.00 C ATOM 567 O SER A 38 1.130 10.290 -7.009 1.00 0.00 O ATOM 568 CB SER A 38 2.243 11.407 -9.881 1.00 0.00 C ATOM 569 OG SER A 38 1.122 12.039 -10.475 1.00 0.00 O ATOM 0 H SER A 38 1.330 9.581 -11.260 1.00 0.00 H new ATOM 0 HA SER A 38 2.742 9.594 -8.839 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.654 12.047 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.026 11.272 -10.627 1.00 0.00 H new ATOM 0 HG SER A 38 0.433 11.369 -10.667 1.00 0.00 H new ATOM 575 N HIS A 39 -0.452 10.343 -8.609 1.00 0.00 N ATOM 576 CA HIS A 39 -1.552 10.525 -7.669 1.00 0.00 C ATOM 577 C HIS A 39 -1.622 9.364 -6.682 1.00 0.00 C ATOM 578 O HIS A 39 -1.707 9.569 -5.471 1.00 0.00 O ATOM 579 CB HIS A 39 -2.877 10.652 -8.421 1.00 0.00 C ATOM 580 CG HIS A 39 -4.068 10.766 -7.520 1.00 0.00 C ATOM 581 ND1 HIS A 39 -4.728 11.955 -7.292 1.00 0.00 N ATOM 582 CD2 HIS A 39 -4.719 9.830 -6.790 1.00 0.00 C ATOM 583 CE1 HIS A 39 -5.732 11.745 -6.459 1.00 0.00 C ATOM 584 NE2 HIS A 39 -5.749 10.464 -6.140 1.00 0.00 N ATOM 0 H HIS A 39 -0.736 10.304 -9.588 1.00 0.00 H new ATOM 0 HA HIS A 39 -1.371 11.443 -7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -2.836 11.528 -9.068 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.003 9.784 -9.068 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -4.474 8.780 -6.730 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.422 12.494 -6.100 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.418 10.018 -5.513 1.00 0.00 H new ATOM 592 N LEU A 40 -1.586 8.145 -7.208 1.00 0.00 N ATOM 593 CA LEU A 40 -1.646 6.950 -6.373 1.00 0.00 C ATOM 594 C LEU A 40 -0.341 6.752 -5.610 1.00 0.00 C ATOM 595 O LEU A 40 -0.335 6.237 -4.492 1.00 0.00 O ATOM 596 CB LEU A 40 -1.939 5.718 -7.232 1.00 0.00 C ATOM 597 CG LEU A 40 -3.063 5.867 -8.258 1.00 0.00 C ATOM 598 CD1 LEU A 40 -2.926 4.822 -9.355 1.00 0.00 C ATOM 599 CD2 LEU A 40 -4.421 5.758 -7.581 1.00 0.00 C ATOM 0 H LEU A 40 -1.516 7.958 -8.208 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.451 7.082 -5.650 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.026 5.443 -7.760 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.186 4.888 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.985 6.854 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.734 4.943 -10.076 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.968 4.947 -9.859 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.977 3.825 -8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.209 5.866 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.510 4.785 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.519 6.545 -6.833 1.00 0.00 H new ATOM 611 N PHE A 41 0.764 7.168 -6.220 1.00 0.00 N ATOM 612 CA PHE A 41 2.076 7.039 -5.597 1.00 0.00 C ATOM 613 C PHE A 41 2.118 7.773 -4.260 1.00 0.00 C ATOM 614 O PHE A 41 2.540 7.216 -3.247 1.00 0.00 O ATOM 615 CB PHE A 41 3.162 7.585 -6.527 1.00 0.00 C ATOM 616 CG PHE A 41 4.388 6.720 -6.590 1.00 0.00 C ATOM 617 CD1 PHE A 41 5.431 6.906 -5.698 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.497 5.721 -7.544 1.00 0.00 C ATOM 619 CE1 PHE A 41 6.560 6.111 -5.753 1.00 0.00 C ATOM 620 CE2 PHE A 41 5.624 4.922 -7.604 1.00 0.00 C ATOM 621 CZ PHE A 41 6.657 5.119 -6.709 1.00 0.00 C ATOM 0 H PHE A 41 0.777 7.597 -7.145 1.00 0.00 H new ATOM 0 HA PHE A 41 2.262 5.980 -5.416 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.750 7.691 -7.531 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.448 8.582 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.361 7.682 -4.950 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.693 5.565 -8.248 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.365 6.265 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.696 4.145 -8.350 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.539 4.498 -6.757 1.00 0.00 H new ATOM 631 N ARG A 42 1.679 9.027 -4.267 1.00 0.00 N ATOM 632 CA ARG A 42 1.668 9.840 -3.056 1.00 0.00 C ATOM 633 C ARG A 42 0.643 9.311 -2.057 1.00 0.00 C ATOM 634 O ARG A 42 0.778 9.515 -0.850 1.00 0.00 O ATOM 635 CB ARG A 42 1.359 11.298 -3.398 1.00 0.00 C ATOM 636 CG ARG A 42 2.235 12.296 -2.658 1.00 0.00 C ATOM 637 CD ARG A 42 1.443 13.521 -2.228 1.00 0.00 C ATOM 638 NE ARG A 42 1.501 14.588 -3.224 1.00 0.00 N ATOM 639 CZ ARG A 42 0.825 15.727 -3.122 1.00 0.00 C ATOM 640 NH1 ARG A 42 0.043 15.946 -2.074 1.00 0.00 N ATOM 641 NH2 ARG A 42 0.930 16.649 -4.070 1.00 0.00 N ATOM 0 H ARG A 42 1.326 9.503 -5.097 1.00 0.00 H new ATOM 0 HA ARG A 42 2.657 9.784 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.482 11.445 -4.471 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.314 11.503 -3.166 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.672 11.818 -1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.061 12.602 -3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.404 13.240 -2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.832 13.890 -1.279 1.00 0.00 H new ATOM 0 HE ARG A 42 2.093 14.451 -4.043 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.041 15.239 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.475 16.821 -1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.530 16.484 -4.878 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.411 17.523 -3.991 1.00 0.00 H new ATOM 655 N GLN A 43 -0.379 8.634 -2.568 1.00 0.00 N ATOM 656 CA GLN A 43 -1.427 8.078 -1.719 1.00 0.00 C ATOM 657 C GLN A 43 -0.957 6.794 -1.045 1.00 0.00 C ATOM 658 O GLN A 43 -1.240 6.560 0.130 1.00 0.00 O ATOM 659 CB GLN A 43 -2.687 7.804 -2.543 1.00 0.00 C ATOM 660 CG GLN A 43 -3.428 9.064 -2.958 1.00 0.00 C ATOM 661 CD GLN A 43 -4.334 9.596 -1.865 1.00 0.00 C ATOM 662 OE1 GLN A 43 -4.159 10.719 -1.390 1.00 0.00 O ATOM 663 NE2 GLN A 43 -5.308 8.791 -1.458 1.00 0.00 N ATOM 0 H GLN A 43 -0.505 8.457 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.659 8.809 -0.945 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.412 7.243 -3.436 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -3.359 7.171 -1.964 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.705 9.833 -3.231 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.022 8.855 -3.847 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.417 7.868 -1.879 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -5.948 9.095 -0.724 1.00 0.00 H new ATOM 672 N GLN A 44 -0.239 5.965 -1.795 1.00 0.00 N ATOM 673 CA GLN A 44 0.270 4.704 -1.269 1.00 0.00 C ATOM 674 C GLN A 44 1.551 4.924 -0.471 1.00 0.00 C ATOM 675 O GLN A 44 1.761 4.300 0.570 1.00 0.00 O ATOM 676 CB GLN A 44 0.528 3.718 -2.409 1.00 0.00 C ATOM 677 CG GLN A 44 -0.688 3.471 -3.287 1.00 0.00 C ATOM 678 CD GLN A 44 -1.642 2.455 -2.691 1.00 0.00 C ATOM 679 OE1 GLN A 44 -1.256 1.644 -1.847 1.00 0.00 O ATOM 680 NE2 GLN A 44 -2.896 2.492 -3.126 1.00 0.00 N ATOM 0 H GLN A 44 0.004 6.144 -2.769 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.485 4.287 -0.602 1.00 0.00 H new ATOM 0 HB2 GLN A 44 1.342 4.096 -3.028 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.861 2.769 -1.989 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.216 4.412 -3.443 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.359 3.124 -4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.173 3.180 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.582 1.832 -2.760 1.00 0.00 H new ATOM 689 N LEU A 45 2.404 5.814 -0.965 1.00 0.00 N ATOM 690 CA LEU A 45 3.666 6.116 -0.298 1.00 0.00 C ATOM 691 C LEU A 45 3.487 7.233 0.724 1.00 0.00 C ATOM 692 O LEU A 45 4.329 7.428 1.600 1.00 0.00 O ATOM 693 CB LEU A 45 4.726 6.515 -1.326 1.00 0.00 C ATOM 694 CG LEU A 45 6.058 5.770 -1.241 1.00 0.00 C ATOM 695 CD1 LEU A 45 6.781 5.812 -2.578 1.00 0.00 C ATOM 696 CD2 LEU A 45 6.930 6.361 -0.142 1.00 0.00 C ATOM 0 H LEU A 45 2.245 6.339 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 45 3.996 5.219 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.311 6.364 -2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.922 7.582 -1.220 1.00 0.00 H new ATOM 0 HG LEU A 45 5.854 4.728 -0.995 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.727 5.276 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.162 5.341 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.974 6.848 -2.855 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.874 5.819 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.125 7.411 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.416 6.277 0.815 1.00 0.00 H new ATOM 708 N GLY A 46 2.382 7.964 0.608 1.00 0.00 N ATOM 709 CA GLY A 46 2.112 9.052 1.530 1.00 0.00 C ATOM 710 C GLY A 46 3.088 10.201 1.374 1.00 0.00 C ATOM 711 O GLY A 46 3.102 11.126 2.186 1.00 0.00 O ATOM 0 H GLY A 46 1.669 7.822 -0.108 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.098 9.417 1.369 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.158 8.677 2.553 1.00 0.00 H new ATOM 715 N ILE A 47 3.906 10.142 0.328 1.00 0.00 N ATOM 716 CA ILE A 47 4.889 11.186 0.069 1.00 0.00 C ATOM 717 C ILE A 47 5.146 11.341 -1.426 1.00 0.00 C ATOM 718 O ILE A 47 4.674 10.540 -2.233 1.00 0.00 O ATOM 719 CB ILE A 47 6.224 10.891 0.780 1.00 0.00 C ATOM 720 CG1 ILE A 47 6.910 9.682 0.142 1.00 0.00 C ATOM 721 CG2 ILE A 47 5.992 10.654 2.264 1.00 0.00 C ATOM 722 CD1 ILE A 47 8.223 9.316 0.798 1.00 0.00 C ATOM 0 H ILE A 47 3.907 9.383 -0.353 1.00 0.00 H new ATOM 0 HA ILE A 47 4.474 12.114 0.462 1.00 0.00 H new ATOM 0 HB ILE A 47 6.878 11.756 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.238 8.825 0.191 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.086 9.889 -0.914 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.944 10.447 2.753 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.542 11.542 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.324 9.803 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 47 8.653 8.450 0.294 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.913 10.157 0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.051 9.077 1.847 1.00 0.00 H new ATOM 734 N SER A 48 5.898 12.375 -1.788 1.00 0.00 N ATOM 735 CA SER A 48 6.216 12.637 -3.187 1.00 0.00 C ATOM 736 C SER A 48 7.306 11.691 -3.682 1.00 0.00 C ATOM 737 O SER A 48 8.170 11.265 -2.915 1.00 0.00 O ATOM 738 CB SER A 48 6.664 14.088 -3.368 1.00 0.00 C ATOM 739 OG SER A 48 7.431 14.527 -2.260 1.00 0.00 O ATOM 0 H SER A 48 6.299 13.045 -1.132 1.00 0.00 H new ATOM 0 HA SER A 48 5.315 12.467 -3.777 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.253 14.179 -4.281 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.791 14.729 -3.487 1.00 0.00 H new ATOM 0 HG SER A 48 7.707 15.457 -2.401 1.00 0.00 H new ATOM 745 N VAL A 49 7.259 11.366 -4.970 1.00 0.00 N ATOM 746 CA VAL A 49 8.242 10.472 -5.570 1.00 0.00 C ATOM 747 C VAL A 49 9.662 10.963 -5.312 1.00 0.00 C ATOM 748 O VAL A 49 10.544 10.185 -4.948 1.00 0.00 O ATOM 749 CB VAL A 49 8.025 10.336 -7.089 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.964 9.291 -7.671 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.575 9.990 -7.391 1.00 0.00 C ATOM 0 H VAL A 49 6.550 11.709 -5.618 1.00 0.00 H new ATOM 0 HA VAL A 49 8.108 9.496 -5.103 1.00 0.00 H new ATOM 0 HB VAL A 49 8.251 11.294 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.796 9.209 -8.745 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.997 9.587 -7.487 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.773 8.327 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.440 9.898 -8.469 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.319 9.046 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.926 10.778 -7.010 1.00 0.00 H new ATOM 761 N LEU A 50 9.876 12.261 -5.502 1.00 0.00 N ATOM 762 CA LEU A 50 11.189 12.858 -5.289 1.00 0.00 C ATOM 763 C LEU A 50 11.641 12.680 -3.843 1.00 0.00 C ATOM 764 O LEU A 50 12.833 12.538 -3.568 1.00 0.00 O ATOM 765 CB LEU A 50 11.159 14.345 -5.646 1.00 0.00 C ATOM 766 CG LEU A 50 11.605 14.705 -7.064 1.00 0.00 C ATOM 767 CD1 LEU A 50 10.779 13.947 -8.092 1.00 0.00 C ATOM 768 CD2 LEU A 50 11.498 16.205 -7.292 1.00 0.00 C ATOM 0 H LEU A 50 9.157 12.919 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 50 11.901 12.349 -5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.143 14.712 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.794 14.880 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 50 12.649 14.414 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.110 14.216 -9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.907 12.875 -7.943 1.00 0.00 H new ATOM 0 HD13 LEU A 50 9.727 14.206 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.819 16.443 -8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.464 16.521 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.134 16.728 -6.578 1.00 0.00 H new ATOM 780 N SER A 51 10.681 12.686 -2.924 1.00 0.00 N ATOM 781 CA SER A 51 10.981 12.526 -1.505 1.00 0.00 C ATOM 782 C SER A 51 11.372 11.086 -1.192 1.00 0.00 C ATOM 783 O SER A 51 12.351 10.836 -0.488 1.00 0.00 O ATOM 784 CB SER A 51 9.773 12.935 -0.659 1.00 0.00 C ATOM 785 OG SER A 51 10.077 12.876 0.724 1.00 0.00 O ATOM 0 H SER A 51 9.690 12.800 -3.136 1.00 0.00 H new ATOM 0 HA SER A 51 11.823 13.173 -1.260 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.465 13.946 -0.924 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.932 12.277 -0.878 1.00 0.00 H new ATOM 0 HG SER A 51 9.290 13.143 1.244 1.00 0.00 H new ATOM 791 N TRP A 52 10.601 10.142 -1.719 1.00 0.00 N ATOM 792 CA TRP A 52 10.867 8.725 -1.495 1.00 0.00 C ATOM 793 C TRP A 52 12.256 8.346 -1.996 1.00 0.00 C ATOM 794 O TRP A 52 12.999 7.638 -1.316 1.00 0.00 O ATOM 795 CB TRP A 52 9.808 7.870 -2.194 1.00 0.00 C ATOM 796 CG TRP A 52 10.111 6.403 -2.159 1.00 0.00 C ATOM 797 CD1 TRP A 52 9.950 5.558 -1.098 1.00 0.00 C ATOM 798 CD2 TRP A 52 10.630 5.609 -3.231 1.00 0.00 C ATOM 799 NE1 TRP A 52 10.337 4.286 -1.446 1.00 0.00 N ATOM 800 CE2 TRP A 52 10.758 4.291 -2.750 1.00 0.00 C ATOM 801 CE3 TRP A 52 10.998 5.882 -4.551 1.00 0.00 C ATOM 802 CZ2 TRP A 52 11.238 3.253 -3.543 1.00 0.00 C ATOM 803 CZ3 TRP A 52 11.474 4.851 -5.337 1.00 0.00 C ATOM 804 CH2 TRP A 52 11.590 3.549 -4.832 1.00 0.00 C ATOM 0 H TRP A 52 9.787 10.331 -2.304 1.00 0.00 H new ATOM 0 HA TRP A 52 10.825 8.538 -0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.841 8.045 -1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 52 9.720 8.191 -3.232 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.574 5.847 -0.128 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.314 3.471 -0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 52 10.912 6.882 -4.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 11.330 2.249 -3.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 11.762 5.052 -6.358 1.00 0.00 H new ATOM 0 HH2 TRP A 52 11.964 2.764 -5.472 1.00 0.00 H new ATOM 815 N ARG A 53 12.600 8.821 -3.189 1.00 0.00 N ATOM 816 CA ARG A 53 13.901 8.530 -3.780 1.00 0.00 C ATOM 817 C ARG A 53 15.030 9.031 -2.885 1.00 0.00 C ATOM 818 O ARG A 53 15.993 8.311 -2.624 1.00 0.00 O ATOM 819 CB ARG A 53 14.010 9.173 -5.164 1.00 0.00 C ATOM 820 CG ARG A 53 15.123 8.590 -6.020 1.00 0.00 C ATOM 821 CD ARG A 53 15.416 9.468 -7.226 1.00 0.00 C ATOM 822 NE ARG A 53 16.762 9.249 -7.749 1.00 0.00 N ATOM 823 CZ ARG A 53 17.360 10.069 -8.606 1.00 0.00 C ATOM 824 NH1 ARG A 53 16.735 11.156 -9.035 1.00 0.00 N ATOM 825 NH2 ARG A 53 18.587 9.801 -9.036 1.00 0.00 N ATOM 0 H ARG A 53 11.997 9.408 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 53 13.993 7.448 -3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.061 9.054 -5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 53 14.177 10.244 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 53 16.026 8.481 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.841 7.592 -6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.685 9.264 -8.009 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.301 10.516 -6.948 1.00 0.00 H new ATOM 0 HE ARG A 53 17.271 8.421 -7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 53 15.792 11.365 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.197 11.784 -9.693 1.00 0.00 H new ATOM 0 HH21 ARG A 53 19.071 8.965 -8.708 1.00 0.00 H new ATOM 0 HH22 ARG A 53 19.046 10.431 -9.694 1.00 0.00 H new ATOM 839 N GLU A 54 14.903 10.269 -2.418 1.00 0.00 N ATOM 840 CA GLU A 54 15.914 10.866 -1.553 1.00 0.00 C ATOM 841 C GLU A 54 15.979 10.141 -0.212 1.00 0.00 C ATOM 842 O GLU A 54 17.062 9.897 0.322 1.00 0.00 O ATOM 843 CB GLU A 54 15.614 12.350 -1.328 1.00 0.00 C ATOM 844 CG GLU A 54 16.822 13.154 -0.881 1.00 0.00 C ATOM 845 CD GLU A 54 16.474 14.590 -0.539 1.00 0.00 C ATOM 846 OE1 GLU A 54 15.668 15.197 -1.274 1.00 0.00 O ATOM 847 OE2 GLU A 54 17.007 15.106 0.466 1.00 0.00 O ATOM 0 H GLU A 54 14.111 10.878 -2.624 1.00 0.00 H new ATOM 0 HA GLU A 54 16.881 10.769 -2.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 15.225 12.778 -2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 54 14.828 12.444 -0.578 1.00 0.00 H new ATOM 0 HG2 GLU A 54 17.270 12.676 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.573 13.144 -1.671 1.00 0.00 H new ATOM 854 N ASP A 55 14.814 9.799 0.326 1.00 0.00 N ATOM 855 CA ASP A 55 14.737 9.101 1.604 1.00 0.00 C ATOM 856 C ASP A 55 15.516 7.790 1.555 1.00 0.00 C ATOM 857 O ASP A 55 16.273 7.472 2.472 1.00 0.00 O ATOM 858 CB ASP A 55 13.279 8.828 1.975 1.00 0.00 C ATOM 859 CG ASP A 55 13.080 8.671 3.469 1.00 0.00 C ATOM 860 OD1 ASP A 55 13.523 9.562 4.223 1.00 0.00 O ATOM 861 OD2 ASP A 55 12.483 7.656 3.885 1.00 0.00 O ATOM 0 H ASP A 55 13.909 9.994 -0.103 1.00 0.00 H new ATOM 0 HA ASP A 55 15.183 9.740 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.656 9.646 1.613 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.942 7.923 1.470 1.00 0.00 H new ATOM 866 N GLN A 56 15.323 7.033 0.480 1.00 0.00 N ATOM 867 CA GLN A 56 16.006 5.755 0.313 1.00 0.00 C ATOM 868 C GLN A 56 17.495 5.964 0.056 1.00 0.00 C ATOM 869 O GLN A 56 18.330 5.190 0.525 1.00 0.00 O ATOM 870 CB GLN A 56 15.383 4.967 -0.841 1.00 0.00 C ATOM 871 CG GLN A 56 13.936 4.571 -0.595 1.00 0.00 C ATOM 872 CD GLN A 56 13.809 3.298 0.218 1.00 0.00 C ATOM 873 OE1 GLN A 56 13.331 3.318 1.353 1.00 0.00 O ATOM 874 NE2 GLN A 56 14.236 2.182 -0.359 1.00 0.00 N ATOM 0 H GLN A 56 14.700 7.282 -0.288 1.00 0.00 H new ATOM 0 HA GLN A 56 15.891 5.186 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.438 5.566 -1.750 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.973 4.067 -1.016 1.00 0.00 H new ATOM 0 HG2 GLN A 56 13.425 5.382 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 56 13.432 4.438 -1.552 1.00 0.00 H new ATOM 0 HE21 GLN A 56 14.625 2.212 -1.301 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.175 1.294 0.140 1.00 0.00 H new ATOM 883 N ARG A 57 17.820 7.014 -0.691 1.00 0.00 N ATOM 884 CA ARG A 57 19.209 7.323 -1.011 1.00 0.00 C ATOM 885 C ARG A 57 20.028 7.522 0.260 1.00 0.00 C ATOM 886 O ARG A 57 21.128 6.984 0.393 1.00 0.00 O ATOM 887 CB ARG A 57 19.286 8.577 -1.883 1.00 0.00 C ATOM 888 CG ARG A 57 18.986 8.319 -3.350 1.00 0.00 C ATOM 889 CD ARG A 57 18.730 9.615 -4.103 1.00 0.00 C ATOM 890 NE ARG A 57 19.949 10.147 -4.707 1.00 0.00 N ATOM 891 CZ ARG A 57 19.955 11.073 -5.659 1.00 0.00 C ATOM 892 NH1 ARG A 57 18.812 11.569 -6.113 1.00 0.00 N ATOM 893 NH2 ARG A 57 21.105 11.507 -6.159 1.00 0.00 N ATOM 0 H ARG A 57 17.141 7.665 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 57 19.626 6.480 -1.562 1.00 0.00 H new ATOM 0 HB2 ARG A 57 18.583 9.318 -1.502 1.00 0.00 H new ATOM 0 HB3 ARG A 57 20.283 9.009 -1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 57 19.823 7.791 -3.806 1.00 0.00 H new ATOM 0 HG3 ARG A 57 18.115 7.669 -3.436 1.00 0.00 H new ATOM 0 HD2 ARG A 57 17.986 9.442 -4.881 1.00 0.00 H new ATOM 0 HD3 ARG A 57 18.311 10.354 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 57 20.845 9.787 -4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 57 17.926 11.239 -5.731 1.00 0.00 H new ATOM 0 HH12 ARG A 57 18.819 12.280 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 57 21.987 11.129 -5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 57 21.107 12.218 -6.890 1.00 0.00 H new ATOM 907 N ILE A 58 19.486 8.300 1.191 1.00 0.00 N ATOM 908 CA ILE A 58 20.167 8.570 2.452 1.00 0.00 C ATOM 909 C ILE A 58 20.238 7.316 3.318 1.00 0.00 C ATOM 910 O ILE A 58 21.242 7.066 3.984 1.00 0.00 O ATOM 911 CB ILE A 58 19.464 9.688 3.243 1.00 0.00 C ATOM 912 CG1 ILE A 58 19.410 10.973 2.415 1.00 0.00 C ATOM 913 CG2 ILE A 58 20.179 9.932 4.564 1.00 0.00 C ATOM 914 CD1 ILE A 58 20.774 11.506 2.037 1.00 0.00 C ATOM 0 H ILE A 58 18.578 8.754 1.096 1.00 0.00 H new ATOM 0 HA ILE A 58 21.177 8.894 2.202 1.00 0.00 H new ATOM 0 HB ILE A 58 18.443 9.374 3.457 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.837 10.786 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.874 11.737 2.979 1.00 0.00 H new ATOM 0 HG21 ILE A 58 19.670 10.725 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 58 20.170 9.018 5.157 1.00 0.00 H new ATOM 0 HG23 ILE A 58 21.210 10.228 4.370 1.00 0.00 H new ATOM 0 HD11 ILE A 58 20.659 12.418 1.451 1.00 0.00 H new ATOM 0 HD12 ILE A 58 21.342 11.725 2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 58 21.305 10.760 1.446 1.00 0.00 H new ATOM 926 N SER A 59 19.166 6.531 3.301 1.00 0.00 N ATOM 927 CA SER A 59 19.105 5.304 4.086 1.00 0.00 C ATOM 928 C SER A 59 20.133 4.291 3.591 1.00 0.00 C ATOM 929 O SER A 59 20.715 3.546 4.379 1.00 0.00 O ATOM 930 CB SER A 59 17.702 4.698 4.018 1.00 0.00 C ATOM 931 OG SER A 59 17.553 3.884 2.868 1.00 0.00 O ATOM 0 H SER A 59 18.328 6.723 2.752 1.00 0.00 H new ATOM 0 HA SER A 59 19.335 5.553 5.122 1.00 0.00 H new ATOM 0 HB2 SER A 59 17.515 4.105 4.913 1.00 0.00 H new ATOM 0 HB3 SER A 59 16.959 5.495 4.002 1.00 0.00 H new ATOM 0 HG SER A 59 17.821 4.390 2.072 1.00 0.00 H new ATOM 937 N GLN A 60 20.350 4.270 2.280 1.00 0.00 N ATOM 938 CA GLN A 60 21.307 3.348 1.679 1.00 0.00 C ATOM 939 C GLN A 60 22.736 3.728 2.051 1.00 0.00 C ATOM 940 O GLN A 60 23.570 2.862 2.314 1.00 0.00 O ATOM 941 CB GLN A 60 21.149 3.337 0.157 1.00 0.00 C ATOM 942 CG GLN A 60 21.851 2.170 -0.518 1.00 0.00 C ATOM 943 CD GLN A 60 21.334 0.825 -0.045 1.00 0.00 C ATOM 944 OE1 GLN A 60 20.189 0.459 -0.309 1.00 0.00 O ATOM 945 NE2 GLN A 60 22.179 0.081 0.659 1.00 0.00 N ATOM 0 H GLN A 60 19.877 4.880 1.614 1.00 0.00 H new ATOM 0 HA GLN A 60 21.104 2.349 2.066 1.00 0.00 H new ATOM 0 HB2 GLN A 60 20.088 3.304 -0.090 1.00 0.00 H new ATOM 0 HB3 GLN A 60 21.542 4.270 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 60 21.719 2.247 -1.597 1.00 0.00 H new ATOM 0 HG3 GLN A 60 22.922 2.233 -0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 60 23.119 0.424 0.855 1.00 0.00 H new ATOM 0 HE22 GLN A 60 21.888 -0.834 1.004 1.00 0.00 H new ATOM 954 N ALA A 61 23.012 5.028 2.071 1.00 0.00 N ATOM 955 CA ALA A 61 24.340 5.522 2.413 1.00 0.00 C ATOM 956 C ALA A 61 24.697 5.184 3.856 1.00 0.00 C ATOM 957 O ALA A 61 25.798 4.713 4.141 1.00 0.00 O ATOM 958 CB ALA A 61 24.418 7.024 2.186 1.00 0.00 C ATOM 0 H ALA A 61 22.333 5.758 1.854 1.00 0.00 H new ATOM 0 HA ALA A 61 25.063 5.029 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 61 25.415 7.380 2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 61 24.215 7.245 1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 61 23.680 7.525 2.812 1.00 0.00 H new ATOM 964 N LYS A 62 23.759 5.427 4.765 1.00 0.00 N ATOM 965 CA LYS A 62 23.973 5.149 6.180 1.00 0.00 C ATOM 966 C LYS A 62 23.984 3.646 6.444 1.00 0.00 C ATOM 967 O LYS A 62 24.699 3.165 7.323 1.00 0.00 O ATOM 968 CB LYS A 62 22.885 5.817 7.024 1.00 0.00 C ATOM 969 CG LYS A 62 21.484 5.318 6.715 1.00 0.00 C ATOM 970 CD LYS A 62 20.439 6.041 7.548 1.00 0.00 C ATOM 971 CE LYS A 62 20.417 7.532 7.244 1.00 0.00 C ATOM 972 NZ LYS A 62 19.110 8.151 7.598 1.00 0.00 N ATOM 0 H LYS A 62 22.842 5.816 4.546 1.00 0.00 H new ATOM 0 HA LYS A 62 24.944 5.557 6.461 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.098 5.645 8.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.922 6.894 6.863 1.00 0.00 H new ATOM 0 HG2 LYS A 62 21.270 5.463 5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.427 4.247 6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 62 19.456 5.614 7.351 1.00 0.00 H new ATOM 0 HD3 LYS A 62 20.647 5.888 8.607 1.00 0.00 H new ATOM 0 HE2 LYS A 62 21.215 8.027 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 62 20.618 7.690 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 19.135 9.167 7.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 18.351 7.696 7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 18.929 8.023 8.614 1.00 0.00 H new ATOM 986 N LEU A 63 23.188 2.910 5.676 1.00 0.00 N ATOM 987 CA LEU A 63 23.108 1.461 5.825 1.00 0.00 C ATOM 988 C LEU A 63 24.414 0.797 5.402 1.00 0.00 C ATOM 989 O LEU A 63 24.971 -0.023 6.133 1.00 0.00 O ATOM 990 CB LEU A 63 21.948 0.907 4.995 1.00 0.00 C ATOM 991 CG LEU A 63 21.717 -0.601 5.087 1.00 0.00 C ATOM 992 CD1 LEU A 63 20.247 -0.930 4.882 1.00 0.00 C ATOM 993 CD2 LEU A 63 22.577 -1.336 4.069 1.00 0.00 C ATOM 0 H LEU A 63 22.589 3.292 4.944 1.00 0.00 H new ATOM 0 HA LEU A 63 22.933 1.238 6.877 1.00 0.00 H new ATOM 0 HB2 LEU A 63 21.033 1.414 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 63 22.120 1.165 3.950 1.00 0.00 H new ATOM 0 HG LEU A 63 22.006 -0.933 6.084 1.00 0.00 H new ATOM 0 HD11 LEU A 63 20.102 -2.008 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 63 19.653 -0.434 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 63 19.930 -0.584 3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 63 22.399 -2.408 4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 63 22.320 -1.000 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 63 23.629 -1.127 4.263 1.00 0.00 H new ATOM 1005 N LEU A 64 24.899 1.157 4.219 1.00 0.00 N ATOM 1006 CA LEU A 64 26.141 0.597 3.699 1.00 0.00 C ATOM 1007 C LEU A 64 27.341 1.099 4.497 1.00 0.00 C ATOM 1008 O LEU A 64 28.291 0.355 4.744 1.00 0.00 O ATOM 1009 CB LEU A 64 26.309 0.961 2.222 1.00 0.00 C ATOM 1010 CG LEU A 64 26.753 2.395 1.930 1.00 0.00 C ATOM 1011 CD1 LEU A 64 28.271 2.485 1.888 1.00 0.00 C ATOM 1012 CD2 LEU A 64 26.151 2.883 0.621 1.00 0.00 C ATOM 0 H LEU A 64 24.451 1.834 3.602 1.00 0.00 H new ATOM 0 HA LEU A 64 26.090 -0.487 3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 64 27.037 0.280 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 64 25.360 0.785 1.715 1.00 0.00 H new ATOM 0 HG LEU A 64 26.394 3.038 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 64 28.569 3.512 1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 64 28.681 2.177 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 64 28.653 1.830 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 64 26.478 3.905 0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 64 26.480 2.238 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 64 25.063 2.856 0.688 1.00 0.00 H new ATOM 1024 N LEU A 65 27.289 2.364 4.899 1.00 0.00 N ATOM 1025 CA LEU A 65 28.370 2.965 5.673 1.00 0.00 C ATOM 1026 C LEU A 65 28.627 2.178 6.954 1.00 0.00 C ATOM 1027 O LEU A 65 29.747 2.150 7.464 1.00 0.00 O ATOM 1028 CB LEU A 65 28.034 4.418 6.012 1.00 0.00 C ATOM 1029 CG LEU A 65 28.494 5.468 5.000 1.00 0.00 C ATOM 1030 CD1 LEU A 65 27.645 6.724 5.110 1.00 0.00 C ATOM 1031 CD2 LEU A 65 29.966 5.797 5.205 1.00 0.00 C ATOM 0 H LEU A 65 26.511 2.993 4.702 1.00 0.00 H new ATOM 0 HA LEU A 65 29.275 2.940 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 65 26.953 4.502 6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 65 28.477 4.656 6.979 1.00 0.00 H new ATOM 0 HG LEU A 65 28.370 5.058 3.998 1.00 0.00 H new ATOM 0 HD11 LEU A 65 27.987 7.460 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 65 26.602 6.477 4.913 1.00 0.00 H new ATOM 0 HD13 LEU A 65 27.736 7.138 6.114 1.00 0.00 H new ATOM 0 HD21 LEU A 65 30.276 6.546 4.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 30.115 6.187 6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 65 30.562 4.894 5.074 1.00 0.00 H new ATOM 1043 N SER A 66 27.581 1.538 7.468 1.00 0.00 N ATOM 1044 CA SER A 66 27.693 0.751 8.691 1.00 0.00 C ATOM 1045 C SER A 66 28.447 -0.550 8.432 1.00 0.00 C ATOM 1046 O SER A 66 29.037 -1.131 9.343 1.00 0.00 O ATOM 1047 CB SER A 66 26.304 0.446 9.254 1.00 0.00 C ATOM 1048 OG SER A 66 25.874 1.470 10.134 1.00 0.00 O ATOM 0 H SER A 66 26.648 1.549 7.057 1.00 0.00 H new ATOM 0 HA SER A 66 28.253 1.336 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 66 25.591 0.342 8.436 1.00 0.00 H new ATOM 0 HB3 SER A 66 26.324 -0.507 9.782 1.00 0.00 H new ATOM 0 HG SER A 66 24.983 1.252 10.479 1.00 0.00 H new ATOM 1054 N THR A 67 28.422 -1.003 7.183 1.00 0.00 N ATOM 1055 CA THR A 67 29.101 -2.236 6.803 1.00 0.00 C ATOM 1056 C THR A 67 30.325 -1.946 5.943 1.00 0.00 C ATOM 1057 O THR A 67 30.988 -2.864 5.457 1.00 0.00 O ATOM 1058 CB THR A 67 28.159 -3.182 6.034 1.00 0.00 C ATOM 1059 OG1 THR A 67 28.870 -4.358 5.630 1.00 0.00 O ATOM 1060 CG2 THR A 67 27.578 -2.489 4.811 1.00 0.00 C ATOM 0 H THR A 67 27.939 -0.534 6.417 1.00 0.00 H new ATOM 0 HA THR A 67 29.416 -2.721 7.727 1.00 0.00 H new ATOM 0 HB THR A 67 27.340 -3.463 6.696 1.00 0.00 H new ATOM 0 HG1 THR A 67 29.834 -4.206 5.724 1.00 0.00 H new ATOM 0 HG21 THR A 67 26.916 -3.176 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 67 27.014 -1.610 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 67 28.387 -2.183 4.147 1.00 0.00 H new ATOM 1068 N THR A 68 30.623 -0.664 5.757 1.00 0.00 N ATOM 1069 CA THR A 68 31.768 -0.253 4.955 1.00 0.00 C ATOM 1070 C THR A 68 32.583 0.820 5.669 1.00 0.00 C ATOM 1071 O THR A 68 32.098 1.466 6.598 1.00 0.00 O ATOM 1072 CB THR A 68 31.328 0.283 3.580 1.00 0.00 C ATOM 1073 OG1 THR A 68 30.678 1.550 3.733 1.00 0.00 O ATOM 1074 CG2 THR A 68 30.386 -0.695 2.894 1.00 0.00 C ATOM 0 H THR A 68 30.086 0.108 6.152 1.00 0.00 H new ATOM 0 HA THR A 68 32.386 -1.139 4.810 1.00 0.00 H new ATOM 0 HB THR A 68 32.217 0.403 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 68 29.814 1.423 4.178 1.00 0.00 H new ATOM 0 HG21 THR A 68 30.089 -0.295 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 68 30.893 -1.650 2.753 1.00 0.00 H new ATOM 0 HG23 THR A 68 29.501 -0.842 3.513 1.00 0.00 H new ATOM 1082 N ARG A 69 33.823 1.006 5.228 1.00 0.00 N ATOM 1083 CA ARG A 69 34.705 2.000 5.826 1.00 0.00 C ATOM 1084 C ARG A 69 35.185 3.001 4.778 1.00 0.00 C ATOM 1085 O ARG A 69 36.175 3.703 4.984 1.00 0.00 O ATOM 1086 CB ARG A 69 35.906 1.319 6.483 1.00 0.00 C ATOM 1087 CG ARG A 69 36.471 2.088 7.666 1.00 0.00 C ATOM 1088 CD ARG A 69 35.669 1.831 8.932 1.00 0.00 C ATOM 1089 NE ARG A 69 35.987 0.536 9.528 1.00 0.00 N ATOM 1090 CZ ARG A 69 35.695 0.213 10.783 1.00 0.00 C ATOM 1091 NH1 ARG A 69 35.082 1.085 11.570 1.00 0.00 N ATOM 1092 NH2 ARG A 69 36.017 -0.986 11.253 1.00 0.00 N ATOM 0 H ARG A 69 34.239 0.481 4.459 1.00 0.00 H new ATOM 0 HA ARG A 69 34.141 2.538 6.587 1.00 0.00 H new ATOM 0 HB2 ARG A 69 35.612 0.323 6.815 1.00 0.00 H new ATOM 0 HB3 ARG A 69 36.691 1.187 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 69 37.509 1.799 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 69 36.468 3.155 7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 69 35.870 2.622 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 69 34.604 1.872 8.701 1.00 0.00 H new ATOM 0 HE ARG A 69 36.459 -0.158 8.949 1.00 0.00 H new ATOM 0 HH11 ARG A 69 34.833 2.007 11.213 1.00 0.00 H new ATOM 0 HH12 ARG A 69 34.859 0.834 12.533 1.00 0.00 H new ATOM 0 HH21 ARG A 69 36.489 -1.660 10.650 1.00 0.00 H new ATOM 0 HH22 ARG A 69 35.792 -1.233 12.217 1.00 0.00 H new ATOM 1106 N MET A 70 34.477 3.059 3.655 1.00 0.00 N ATOM 1107 CA MET A 70 34.831 3.973 2.575 1.00 0.00 C ATOM 1108 C MET A 70 34.596 5.422 2.991 1.00 0.00 C ATOM 1109 O MET A 70 33.761 5.720 3.846 1.00 0.00 O ATOM 1110 CB MET A 70 34.018 3.653 1.320 1.00 0.00 C ATOM 1111 CG MET A 70 34.153 2.210 0.860 1.00 0.00 C ATOM 1112 SD MET A 70 33.046 1.810 -0.506 1.00 0.00 S ATOM 1113 CE MET A 70 31.458 1.858 0.320 1.00 0.00 C ATOM 0 H MET A 70 33.655 2.484 3.469 1.00 0.00 H new ATOM 0 HA MET A 70 35.891 3.843 2.355 1.00 0.00 H new ATOM 0 HB2 MET A 70 32.967 3.867 1.513 1.00 0.00 H new ATOM 0 HB3 MET A 70 34.335 4.314 0.513 1.00 0.00 H new ATOM 0 HG2 MET A 70 35.183 2.025 0.554 1.00 0.00 H new ATOM 0 HG3 MET A 70 33.945 1.545 1.698 1.00 0.00 H new ATOM 0 HE1 MET A 70 30.894 0.958 0.076 1.00 0.00 H new ATOM 0 HE2 MET A 70 31.610 1.910 1.398 1.00 0.00 H new ATOM 0 HE3 MET A 70 30.902 2.735 -0.011 1.00 0.00 H new ATOM 1123 N PRO A 71 35.349 6.345 2.375 1.00 0.00 N ATOM 1124 CA PRO A 71 35.240 7.778 2.665 1.00 0.00 C ATOM 1125 C PRO A 71 33.927 8.373 2.166 1.00 0.00 C ATOM 1126 O PRO A 71 33.211 7.749 1.382 1.00 0.00 O ATOM 1127 CB PRO A 71 36.424 8.385 1.908 1.00 0.00 C ATOM 1128 CG PRO A 71 36.699 7.424 0.803 1.00 0.00 C ATOM 1129 CD PRO A 71 36.363 6.062 1.346 1.00 0.00 C ATOM 0 HA PRO A 71 35.254 7.979 3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 71 36.181 9.375 1.521 1.00 0.00 H new ATOM 0 HB3 PRO A 71 37.292 8.501 2.557 1.00 0.00 H new ATOM 0 HG2 PRO A 71 36.094 7.654 -0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 71 37.743 7.474 0.493 1.00 0.00 H new ATOM 0 HD2 PRO A 71 35.974 5.404 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 71 37.239 5.571 1.770 1.00 0.00 H new ATOM 1137 N ILE A 72 33.618 9.581 2.624 1.00 0.00 N ATOM 1138 CA ILE A 72 32.393 10.260 2.222 1.00 0.00 C ATOM 1139 C ILE A 72 32.336 10.442 0.709 1.00 0.00 C ATOM 1140 O ILE A 72 31.258 10.445 0.114 1.00 0.00 O ATOM 1141 CB ILE A 72 32.264 11.637 2.899 1.00 0.00 C ATOM 1142 CG1 ILE A 72 32.438 11.504 4.413 1.00 0.00 C ATOM 1143 CG2 ILE A 72 30.918 12.266 2.568 1.00 0.00 C ATOM 1144 CD1 ILE A 72 31.455 10.549 5.053 1.00 0.00 C ATOM 0 H ILE A 72 34.199 10.110 3.274 1.00 0.00 H new ATOM 0 HA ILE A 72 31.564 9.629 2.541 1.00 0.00 H new ATOM 0 HB ILE A 72 33.051 12.288 2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 72 33.452 11.165 4.626 1.00 0.00 H new ATOM 0 HG13 ILE A 72 32.328 12.487 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 72 30.842 13.239 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 72 30.831 12.391 1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 72 30.117 11.619 2.924 1.00 0.00 H new ATOM 0 HD11 ILE A 72 31.637 10.505 6.127 1.00 0.00 H new ATOM 0 HD12 ILE A 72 30.438 10.898 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 72 31.580 9.555 4.622 1.00 0.00 H new ATOM 1156 N ALA A 73 33.503 10.590 0.092 1.00 0.00 N ATOM 1157 CA ALA A 73 33.587 10.769 -1.352 1.00 0.00 C ATOM 1158 C ALA A 73 33.110 9.521 -2.088 1.00 0.00 C ATOM 1159 O ALA A 73 32.322 9.606 -3.030 1.00 0.00 O ATOM 1160 CB ALA A 73 35.012 11.112 -1.760 1.00 0.00 C ATOM 0 H ALA A 73 34.404 10.589 0.570 1.00 0.00 H new ATOM 0 HA ALA A 73 32.933 11.596 -1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 73 35.059 11.243 -2.841 1.00 0.00 H new ATOM 0 HB2 ALA A 73 35.319 12.036 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 73 35.680 10.304 -1.463 1.00 0.00 H new ATOM 1166 N THR A 74 33.594 8.362 -1.653 1.00 0.00 N ATOM 1167 CA THR A 74 33.218 7.097 -2.271 1.00 0.00 C ATOM 1168 C THR A 74 31.747 6.781 -2.029 1.00 0.00 C ATOM 1169 O THR A 74 31.014 6.438 -2.957 1.00 0.00 O ATOM 1170 CB THR A 74 34.076 5.934 -1.737 1.00 0.00 C ATOM 1171 OG1 THR A 74 35.457 6.169 -2.030 1.00 0.00 O ATOM 1172 CG2 THR A 74 33.639 4.613 -2.352 1.00 0.00 C ATOM 0 H THR A 74 34.247 8.273 -0.875 1.00 0.00 H new ATOM 0 HA THR A 74 33.391 7.205 -3.342 1.00 0.00 H new ATOM 0 HB THR A 74 33.939 5.877 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 74 35.995 5.426 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 74 34.259 3.807 -1.960 1.00 0.00 H new ATOM 0 HG22 THR A 74 32.595 4.423 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 74 33.749 4.662 -3.435 1.00 0.00 H new ATOM 1180 N VAL A 75 31.320 6.901 -0.776 1.00 0.00 N ATOM 1181 CA VAL A 75 29.934 6.630 -0.412 1.00 0.00 C ATOM 1182 C VAL A 75 28.973 7.487 -1.229 1.00 0.00 C ATOM 1183 O VAL A 75 27.926 7.016 -1.669 1.00 0.00 O ATOM 1184 CB VAL A 75 29.687 6.888 1.087 1.00 0.00 C ATOM 1185 CG1 VAL A 75 28.284 6.452 1.479 1.00 0.00 C ATOM 1186 CG2 VAL A 75 30.732 6.173 1.930 1.00 0.00 C ATOM 0 H VAL A 75 31.913 7.184 0.004 1.00 0.00 H new ATOM 0 HA VAL A 75 29.750 5.577 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 75 29.774 7.958 1.273 1.00 0.00 H new ATOM 0 HG11 VAL A 75 28.127 6.642 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 75 27.553 7.014 0.898 1.00 0.00 H new ATOM 0 HG13 VAL A 75 28.165 5.387 1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 75 30.542 6.366 2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 75 30.679 5.101 1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 75 31.724 6.539 1.667 1.00 0.00 H new ATOM 1196 N GLY A 76 29.339 8.750 -1.428 1.00 0.00 N ATOM 1197 CA GLY A 76 28.499 9.653 -2.193 1.00 0.00 C ATOM 1198 C GLY A 76 28.206 9.133 -3.586 1.00 0.00 C ATOM 1199 O GLY A 76 27.074 9.216 -4.062 1.00 0.00 O ATOM 0 H GLY A 76 30.201 9.163 -1.073 1.00 0.00 H new ATOM 0 HA2 GLY A 76 27.560 9.808 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 76 28.988 10.624 -2.267 1.00 0.00 H new ATOM 1203 N ARG A 77 29.230 8.597 -4.243 1.00 0.00 N ATOM 1204 CA ARG A 77 29.077 8.064 -5.592 1.00 0.00 C ATOM 1205 C ARG A 77 28.002 6.982 -5.630 1.00 0.00 C ATOM 1206 O ARG A 77 27.288 6.838 -6.621 1.00 0.00 O ATOM 1207 CB ARG A 77 30.407 7.495 -6.091 1.00 0.00 C ATOM 1208 CG ARG A 77 31.361 8.553 -6.620 1.00 0.00 C ATOM 1209 CD ARG A 77 32.741 7.974 -6.891 1.00 0.00 C ATOM 1210 NE ARG A 77 33.642 8.959 -7.482 1.00 0.00 N ATOM 1211 CZ ARG A 77 34.852 8.665 -7.945 1.00 0.00 C ATOM 1212 NH1 ARG A 77 35.302 7.419 -7.886 1.00 0.00 N ATOM 1213 NH2 ARG A 77 35.613 9.617 -8.469 1.00 0.00 N ATOM 0 H ARG A 77 30.174 8.520 -3.863 1.00 0.00 H new ATOM 0 HA ARG A 77 28.770 8.880 -6.246 1.00 0.00 H new ATOM 0 HB2 ARG A 77 30.891 6.956 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 77 30.209 6.769 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 77 30.958 8.981 -7.538 1.00 0.00 H new ATOM 0 HG3 ARG A 77 31.442 9.365 -5.898 1.00 0.00 H new ATOM 0 HD2 ARG A 77 33.169 7.605 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 77 32.650 7.119 -7.560 1.00 0.00 H new ATOM 0 HE ARG A 77 33.325 9.927 -7.543 1.00 0.00 H new ATOM 0 HH11 ARG A 77 34.719 6.685 -7.485 1.00 0.00 H new ATOM 0 HH12 ARG A 77 36.231 7.195 -8.242 1.00 0.00 H new ATOM 0 HH21 ARG A 77 35.269 10.576 -8.517 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.542 9.390 -8.824 1.00 0.00 H new ATOM 1227 N ASN A 78 27.895 6.222 -4.545 1.00 0.00 N ATOM 1228 CA ASN A 78 26.908 5.152 -4.455 1.00 0.00 C ATOM 1229 C ASN A 78 25.491 5.713 -4.515 1.00 0.00 C ATOM 1230 O ASN A 78 24.576 5.065 -5.023 1.00 0.00 O ATOM 1231 CB ASN A 78 27.101 4.359 -3.161 1.00 0.00 C ATOM 1232 CG ASN A 78 28.460 3.689 -3.091 1.00 0.00 C ATOM 1233 OD1 ASN A 78 28.993 3.235 -4.103 1.00 0.00 O ATOM 1234 ND2 ASN A 78 29.026 3.625 -1.891 1.00 0.00 N ATOM 0 H ASN A 78 28.480 6.327 -3.716 1.00 0.00 H new ATOM 0 HA ASN A 78 27.052 4.486 -5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 78 26.984 5.027 -2.308 1.00 0.00 H new ATOM 0 HB3 ASN A 78 26.321 3.602 -3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 78 29.940 3.186 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 78 28.547 4.015 -1.080 1.00 0.00 H new ATOM 1241 N VAL A 79 25.316 6.923 -3.991 1.00 0.00 N ATOM 1242 CA VAL A 79 24.011 7.572 -3.986 1.00 0.00 C ATOM 1243 C VAL A 79 23.887 8.567 -5.135 1.00 0.00 C ATOM 1244 O VAL A 79 23.028 9.447 -5.118 1.00 0.00 O ATOM 1245 CB VAL A 79 23.755 8.306 -2.656 1.00 0.00 C ATOM 1246 CG1 VAL A 79 23.797 7.330 -1.490 1.00 0.00 C ATOM 1247 CG2 VAL A 79 24.767 9.425 -2.462 1.00 0.00 C ATOM 0 H VAL A 79 26.062 7.473 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 79 23.266 6.786 -4.108 1.00 0.00 H new ATOM 0 HB VAL A 79 22.760 8.749 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 79 23.614 7.867 -0.559 1.00 0.00 H new ATOM 0 HG12 VAL A 79 23.030 6.568 -1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 79 24.777 6.855 -1.448 1.00 0.00 H new ATOM 0 HG21 VAL A 79 24.571 9.933 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 79 25.773 9.007 -2.447 1.00 0.00 H new ATOM 0 HG23 VAL A 79 24.682 10.138 -3.282 1.00 0.00 H new ATOM 1257 N GLY A 80 24.753 8.420 -6.133 1.00 0.00 N ATOM 1258 CA GLY A 80 24.724 9.312 -7.277 1.00 0.00 C ATOM 1259 C GLY A 80 25.253 10.694 -6.948 1.00 0.00 C ATOM 1260 O GLY A 80 25.203 11.601 -7.780 1.00 0.00 O ATOM 0 H GLY A 80 25.474 7.699 -6.170 1.00 0.00 H new ATOM 0 HA2 GLY A 80 25.317 8.882 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 80 23.701 9.396 -7.643 1.00 0.00 H new ATOM 1264 N PHE A 81 25.761 10.858 -5.731 1.00 0.00 N ATOM 1265 CA PHE A 81 26.300 12.140 -5.293 1.00 0.00 C ATOM 1266 C PHE A 81 27.741 12.313 -5.762 1.00 0.00 C ATOM 1267 O PHE A 81 28.628 11.555 -5.370 1.00 0.00 O ATOM 1268 CB PHE A 81 26.230 12.253 -3.769 1.00 0.00 C ATOM 1269 CG PHE A 81 24.915 12.777 -3.266 1.00 0.00 C ATOM 1270 CD1 PHE A 81 23.721 12.308 -3.790 1.00 0.00 C ATOM 1271 CD2 PHE A 81 24.873 13.739 -2.270 1.00 0.00 C ATOM 1272 CE1 PHE A 81 22.510 12.789 -3.329 1.00 0.00 C ATOM 1273 CE2 PHE A 81 23.665 14.224 -1.805 1.00 0.00 C ATOM 1274 CZ PHE A 81 22.482 13.748 -2.335 1.00 0.00 C ATOM 0 H PHE A 81 25.811 10.118 -5.030 1.00 0.00 H new ATOM 0 HA PHE A 81 25.695 12.931 -5.737 1.00 0.00 H new ATOM 0 HB2 PHE A 81 26.412 11.272 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 81 27.029 12.909 -3.424 1.00 0.00 H new ATOM 0 HD1 PHE A 81 23.737 11.558 -4.567 1.00 0.00 H new ATOM 0 HD2 PHE A 81 25.795 14.115 -1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 81 21.586 12.415 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 81 23.646 14.974 -1.028 1.00 0.00 H new ATOM 0 HZ PHE A 81 21.537 14.125 -1.973 1.00 0.00 H new ATOM 1284 N ASP A 82 27.967 13.317 -6.603 1.00 0.00 N ATOM 1285 CA ASP A 82 29.301 13.591 -7.125 1.00 0.00 C ATOM 1286 C ASP A 82 30.112 14.421 -6.135 1.00 0.00 C ATOM 1287 O ASP A 82 31.334 14.295 -6.060 1.00 0.00 O ATOM 1288 CB ASP A 82 29.206 14.322 -8.465 1.00 0.00 C ATOM 1289 CG ASP A 82 28.863 13.390 -9.611 1.00 0.00 C ATOM 1290 OD1 ASP A 82 28.691 12.179 -9.358 1.00 0.00 O ATOM 1291 OD2 ASP A 82 28.768 13.871 -10.759 1.00 0.00 O ATOM 0 H ASP A 82 27.244 13.954 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 82 29.809 12.638 -7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 82 28.448 15.103 -8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 82 30.155 14.816 -8.674 1.00 0.00 H new ATOM 1296 N ASP A 83 29.424 15.269 -5.379 1.00 0.00 N ATOM 1297 CA ASP A 83 30.080 16.119 -4.393 1.00 0.00 C ATOM 1298 C ASP A 83 30.033 15.482 -3.007 1.00 0.00 C ATOM 1299 O ASP A 83 28.956 15.239 -2.463 1.00 0.00 O ATOM 1300 CB ASP A 83 29.420 17.498 -4.357 1.00 0.00 C ATOM 1301 CG ASP A 83 29.995 18.444 -5.393 1.00 0.00 C ATOM 1302 OD1 ASP A 83 31.221 18.395 -5.623 1.00 0.00 O ATOM 1303 OD2 ASP A 83 29.220 19.233 -5.972 1.00 0.00 O ATOM 0 H ASP A 83 28.412 15.386 -5.430 1.00 0.00 H new ATOM 0 HA ASP A 83 31.124 16.232 -4.685 1.00 0.00 H new ATOM 0 HB2 ASP A 83 28.348 17.389 -4.524 1.00 0.00 H new ATOM 0 HB3 ASP A 83 29.545 17.931 -3.365 1.00 0.00 H new ATOM 1308 N GLN A 84 31.206 15.214 -2.444 1.00 0.00 N ATOM 1309 CA GLN A 84 31.297 14.604 -1.123 1.00 0.00 C ATOM 1310 C GLN A 84 30.677 15.507 -0.062 1.00 0.00 C ATOM 1311 O GLN A 84 29.997 15.034 0.850 1.00 0.00 O ATOM 1312 CB GLN A 84 32.757 14.313 -0.772 1.00 0.00 C ATOM 1313 CG GLN A 84 33.638 15.552 -0.758 1.00 0.00 C ATOM 1314 CD GLN A 84 33.838 16.111 0.637 1.00 0.00 C ATOM 1315 OE1 GLN A 84 32.951 16.021 1.487 1.00 0.00 O ATOM 1316 NE2 GLN A 84 35.006 16.694 0.880 1.00 0.00 N ATOM 0 H GLN A 84 32.106 15.409 -2.882 1.00 0.00 H new ATOM 0 HA GLN A 84 30.742 13.666 -1.145 1.00 0.00 H new ATOM 0 HB2 GLN A 84 32.799 13.837 0.208 1.00 0.00 H new ATOM 0 HB3 GLN A 84 33.160 13.599 -1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 84 34.609 15.308 -1.190 1.00 0.00 H new ATOM 0 HG3 GLN A 84 33.191 16.318 -1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.712 16.746 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 84 35.197 17.090 1.801 1.00 0.00 H new ATOM 1325 N LEU A 85 30.915 16.808 -0.187 1.00 0.00 N ATOM 1326 CA LEU A 85 30.380 17.778 0.762 1.00 0.00 C ATOM 1327 C LEU A 85 28.864 17.888 0.632 1.00 0.00 C ATOM 1328 O LEU A 85 28.161 18.113 1.617 1.00 0.00 O ATOM 1329 CB LEU A 85 31.023 19.148 0.538 1.00 0.00 C ATOM 1330 CG LEU A 85 32.326 19.409 1.293 1.00 0.00 C ATOM 1331 CD1 LEU A 85 32.910 20.757 0.900 1.00 0.00 C ATOM 1332 CD2 LEU A 85 32.094 19.345 2.796 1.00 0.00 C ATOM 0 H LEU A 85 31.475 17.215 -0.936 1.00 0.00 H new ATOM 0 HA LEU A 85 30.616 17.433 1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 85 31.214 19.267 -0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.303 19.916 0.821 1.00 0.00 H new ATOM 0 HG LEU A 85 33.042 18.633 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 85 33.837 20.925 1.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 33.114 20.767 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 85 32.198 21.546 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 85 33.033 19.533 3.317 1.00 0.00 H new ATOM 0 HD22 LEU A 85 31.362 20.099 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 85 31.722 18.357 3.065 1.00 0.00 H new ATOM 1344 N TYR A 86 28.367 17.724 -0.589 1.00 0.00 N ATOM 1345 CA TYR A 86 26.934 17.805 -0.848 1.00 0.00 C ATOM 1346 C TYR A 86 26.177 16.745 -0.055 1.00 0.00 C ATOM 1347 O TYR A 86 25.110 17.012 0.500 1.00 0.00 O ATOM 1348 CB TYR A 86 26.655 17.636 -2.343 1.00 0.00 C ATOM 1349 CG TYR A 86 25.183 17.534 -2.676 1.00 0.00 C ATOM 1350 CD1 TYR A 86 24.245 18.316 -2.013 1.00 0.00 C ATOM 1351 CD2 TYR A 86 24.731 16.655 -3.652 1.00 0.00 C ATOM 1352 CE1 TYR A 86 22.900 18.226 -2.313 1.00 0.00 C ATOM 1353 CE2 TYR A 86 23.388 16.560 -3.960 1.00 0.00 C ATOM 1354 CZ TYR A 86 22.476 17.347 -3.288 1.00 0.00 C ATOM 1355 OH TYR A 86 21.137 17.253 -3.590 1.00 0.00 O ATOM 0 H TYR A 86 28.935 17.534 -1.415 1.00 0.00 H new ATOM 0 HA TYR A 86 26.587 18.788 -0.529 1.00 0.00 H new ATOM 0 HB2 TYR A 86 27.083 18.481 -2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 86 27.163 16.740 -2.700 1.00 0.00 H new ATOM 0 HD1 TYR A 86 24.574 19.006 -1.250 1.00 0.00 H new ATOM 0 HD2 TYR A 86 25.442 16.035 -4.179 1.00 0.00 H new ATOM 0 HE1 TYR A 86 22.184 18.840 -1.787 1.00 0.00 H new ATOM 0 HE2 TYR A 86 23.054 15.873 -4.723 1.00 0.00 H new ATOM 0 HH TYR A 86 21.007 16.589 -4.299 1.00 0.00 H new ATOM 1365 N PHE A 87 26.736 15.540 -0.005 1.00 0.00 N ATOM 1366 CA PHE A 87 26.114 14.438 0.720 1.00 0.00 C ATOM 1367 C PHE A 87 26.104 14.712 2.221 1.00 0.00 C ATOM 1368 O PHE A 87 25.098 14.492 2.896 1.00 0.00 O ATOM 1369 CB PHE A 87 26.855 13.130 0.434 1.00 0.00 C ATOM 1370 CG PHE A 87 26.424 11.993 1.316 1.00 0.00 C ATOM 1371 CD1 PHE A 87 25.085 11.654 1.429 1.00 0.00 C ATOM 1372 CD2 PHE A 87 27.359 11.262 2.032 1.00 0.00 C ATOM 1373 CE1 PHE A 87 24.687 10.609 2.240 1.00 0.00 C ATOM 1374 CE2 PHE A 87 26.966 10.215 2.845 1.00 0.00 C ATOM 1375 CZ PHE A 87 25.629 9.888 2.948 1.00 0.00 C ATOM 0 H PHE A 87 27.618 15.302 -0.458 1.00 0.00 H new ATOM 0 HA PHE A 87 25.083 14.346 0.378 1.00 0.00 H new ATOM 0 HB2 PHE A 87 26.696 12.852 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 87 27.925 13.293 0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 87 24.344 12.213 0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 87 28.406 11.513 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 87 23.640 10.356 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 87 27.704 9.654 3.399 1.00 0.00 H new ATOM 0 HZ PHE A 87 25.320 9.070 3.581 1.00 0.00 H new ATOM 1385 N SER A 88 27.231 15.193 2.737 1.00 0.00 N ATOM 1386 CA SER A 88 27.353 15.493 4.159 1.00 0.00 C ATOM 1387 C SER A 88 26.427 16.639 4.554 1.00 0.00 C ATOM 1388 O SER A 88 25.846 16.636 5.639 1.00 0.00 O ATOM 1389 CB SER A 88 28.801 15.851 4.503 1.00 0.00 C ATOM 1390 OG SER A 88 29.029 17.242 4.362 1.00 0.00 O ATOM 0 H SER A 88 28.072 15.383 2.192 1.00 0.00 H new ATOM 0 HA SER A 88 27.062 14.604 4.719 1.00 0.00 H new ATOM 0 HB2 SER A 88 29.022 15.545 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 88 29.480 15.300 3.852 1.00 0.00 H new ATOM 0 HG SER A 88 28.809 17.519 3.448 1.00 0.00 H new ATOM 1396 N ARG A 89 26.294 17.618 3.665 1.00 0.00 N ATOM 1397 CA ARG A 89 25.440 18.772 3.921 1.00 0.00 C ATOM 1398 C ARG A 89 23.982 18.346 4.070 1.00 0.00 C ATOM 1399 O ARG A 89 23.314 18.708 5.038 1.00 0.00 O ATOM 1400 CB ARG A 89 25.571 19.791 2.788 1.00 0.00 C ATOM 1401 CG ARG A 89 26.733 20.755 2.969 1.00 0.00 C ATOM 1402 CD ARG A 89 26.664 21.903 1.973 1.00 0.00 C ATOM 1403 NE ARG A 89 25.835 23.002 2.462 1.00 0.00 N ATOM 1404 CZ ARG A 89 25.907 24.242 1.992 1.00 0.00 C ATOM 1405 NH1 ARG A 89 26.766 24.540 1.027 1.00 0.00 N ATOM 1406 NH2 ARG A 89 25.119 25.188 2.487 1.00 0.00 N ATOM 0 H ARG A 89 26.767 17.635 2.761 1.00 0.00 H new ATOM 0 HA ARG A 89 25.764 19.233 4.854 1.00 0.00 H new ATOM 0 HB2 ARG A 89 25.694 19.259 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 89 24.645 20.361 2.714 1.00 0.00 H new ATOM 0 HG2 ARG A 89 26.724 21.151 3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 89 27.674 20.220 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 89 27.671 22.270 1.772 1.00 0.00 H new ATOM 0 HD3 ARG A 89 26.263 21.539 1.027 1.00 0.00 H new ATOM 0 HE ARG A 89 25.164 22.806 3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 89 27.374 23.816 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 89 26.819 25.493 0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 89 24.457 24.963 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 89 25.176 26.140 2.125 1.00 0.00 H new ATOM 1420 N VAL A 90 23.494 17.576 3.102 1.00 0.00 N ATOM 1421 CA VAL A 90 22.116 17.100 3.125 1.00 0.00 C ATOM 1422 C VAL A 90 21.913 16.056 4.218 1.00 0.00 C ATOM 1423 O VAL A 90 20.939 16.108 4.968 1.00 0.00 O ATOM 1424 CB VAL A 90 21.709 16.494 1.769 1.00 0.00 C ATOM 1425 CG1 VAL A 90 20.284 15.964 1.827 1.00 0.00 C ATOM 1426 CG2 VAL A 90 21.859 17.523 0.659 1.00 0.00 C ATOM 0 H VAL A 90 24.033 17.269 2.292 1.00 0.00 H new ATOM 0 HA VAL A 90 21.486 17.965 3.332 1.00 0.00 H new ATOM 0 HB VAL A 90 22.373 15.658 1.550 1.00 0.00 H new ATOM 0 HG11 VAL A 90 20.014 15.540 0.860 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.214 15.193 2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 90 19.602 16.779 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 90 21.567 17.077 -0.292 1.00 0.00 H new ATOM 0 HG22 VAL A 90 21.220 18.381 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 90 22.898 17.849 0.603 1.00 0.00 H new ATOM 1436 N PHE A 91 22.841 15.108 4.302 1.00 0.00 N ATOM 1437 CA PHE A 91 22.764 14.051 5.303 1.00 0.00 C ATOM 1438 C PHE A 91 22.807 14.632 6.713 1.00 0.00 C ATOM 1439 O PHE A 91 22.154 14.126 7.626 1.00 0.00 O ATOM 1440 CB PHE A 91 23.912 13.057 5.115 1.00 0.00 C ATOM 1441 CG PHE A 91 23.784 11.824 5.964 1.00 0.00 C ATOM 1442 CD1 PHE A 91 24.168 11.840 7.295 1.00 0.00 C ATOM 1443 CD2 PHE A 91 23.279 10.649 5.431 1.00 0.00 C ATOM 1444 CE1 PHE A 91 24.051 10.708 8.079 1.00 0.00 C ATOM 1445 CE2 PHE A 91 23.158 9.514 6.210 1.00 0.00 C ATOM 1446 CZ PHE A 91 23.546 9.543 7.535 1.00 0.00 C ATOM 0 H PHE A 91 23.654 15.050 3.689 1.00 0.00 H new ATOM 0 HA PHE A 91 21.815 13.530 5.172 1.00 0.00 H new ATOM 0 HB2 PHE A 91 23.959 12.763 4.066 1.00 0.00 H new ATOM 0 HB3 PHE A 91 24.854 13.553 5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 91 24.564 12.748 7.725 1.00 0.00 H new ATOM 0 HD2 PHE A 91 22.976 10.620 4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 91 24.354 10.734 9.115 1.00 0.00 H new ATOM 0 HE2 PHE A 91 22.760 8.605 5.783 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.455 8.656 8.145 1.00 0.00 H new ATOM 1456 N LYS A 92 23.581 15.699 6.884 1.00 0.00 N ATOM 1457 CA LYS A 92 23.710 16.352 8.181 1.00 0.00 C ATOM 1458 C LYS A 92 22.347 16.786 8.710 1.00 0.00 C ATOM 1459 O LYS A 92 22.033 16.590 9.884 1.00 0.00 O ATOM 1460 CB LYS A 92 24.638 17.564 8.075 1.00 0.00 C ATOM 1461 CG LYS A 92 24.693 18.400 9.342 1.00 0.00 C ATOM 1462 CD LYS A 92 25.561 19.634 9.158 1.00 0.00 C ATOM 1463 CE LYS A 92 24.721 20.899 9.077 1.00 0.00 C ATOM 1464 NZ LYS A 92 25.530 22.075 8.650 1.00 0.00 N ATOM 0 H LYS A 92 24.129 16.130 6.139 1.00 0.00 H new ATOM 0 HA LYS A 92 24.139 15.634 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 92 25.644 17.221 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.307 18.193 7.249 1.00 0.00 H new ATOM 0 HG2 LYS A 92 23.684 18.702 9.624 1.00 0.00 H new ATOM 0 HG3 LYS A 92 25.085 17.797 10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.262 19.714 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 92 26.154 19.531 8.249 1.00 0.00 H new ATOM 0 HE2 LYS A 92 23.902 20.747 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 92 24.273 21.100 10.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.922 22.918 8.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 26.296 22.236 9.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 25.937 21.894 7.710 1.00 0.00 H new ATOM 1478 N LYS A 93 21.540 17.377 7.835 1.00 0.00 N ATOM 1479 CA LYS A 93 20.208 17.838 8.212 1.00 0.00 C ATOM 1480 C LYS A 93 19.239 16.666 8.324 1.00 0.00 C ATOM 1481 O LYS A 93 18.247 16.736 9.051 1.00 0.00 O ATOM 1482 CB LYS A 93 19.687 18.849 7.188 1.00 0.00 C ATOM 1483 CG LYS A 93 20.265 20.243 7.361 1.00 0.00 C ATOM 1484 CD LYS A 93 21.467 20.465 6.458 1.00 0.00 C ATOM 1485 CE LYS A 93 21.554 21.910 5.992 1.00 0.00 C ATOM 1486 NZ LYS A 93 22.213 22.780 7.006 1.00 0.00 N ATOM 0 H LYS A 93 21.785 17.548 6.860 1.00 0.00 H new ATOM 0 HA LYS A 93 20.280 18.322 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 93 19.919 18.490 6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.601 18.903 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.499 20.986 7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 93 20.558 20.390 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 93 22.379 20.198 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.400 19.806 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 93 22.111 21.957 5.056 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.552 22.286 5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 22.253 23.757 6.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 21.668 22.755 7.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 23.178 22.436 7.184 1.00 0.00 H new ATOM 1500 N CYS A 94 19.532 15.591 7.602 1.00 0.00 N ATOM 1501 CA CYS A 94 18.686 14.403 7.621 1.00 0.00 C ATOM 1502 C CYS A 94 18.577 13.835 9.032 1.00 0.00 C ATOM 1503 O CYS A 94 17.480 13.567 9.524 1.00 0.00 O ATOM 1504 CB CYS A 94 19.241 13.340 6.672 1.00 0.00 C ATOM 1505 SG CYS A 94 18.147 11.921 6.431 1.00 0.00 S ATOM 0 H CYS A 94 20.349 15.517 6.996 1.00 0.00 H new ATOM 0 HA CYS A 94 17.689 14.692 7.287 1.00 0.00 H new ATOM 0 HB2 CYS A 94 19.439 13.801 5.704 1.00 0.00 H new ATOM 0 HB3 CYS A 94 20.197 12.987 7.059 1.00 0.00 H new ATOM 0 HG CYS A 94 17.919 11.760 5.161 1.00 0.00 H new ATOM 1511 N THR A 95 19.724 13.652 9.681 1.00 0.00 N ATOM 1512 CA THR A 95 19.758 13.114 11.035 1.00 0.00 C ATOM 1513 C THR A 95 20.034 14.211 12.056 1.00 0.00 C ATOM 1514 O THR A 95 19.903 13.999 13.261 1.00 0.00 O ATOM 1515 CB THR A 95 20.830 12.017 11.176 1.00 0.00 C ATOM 1516 OG1 THR A 95 22.137 12.592 11.069 1.00 0.00 O ATOM 1517 CG2 THR A 95 20.653 10.947 10.109 1.00 0.00 C ATOM 0 H THR A 95 20.641 13.869 9.290 1.00 0.00 H new ATOM 0 HA THR A 95 18.777 12.681 11.228 1.00 0.00 H new ATOM 0 HB THR A 95 20.717 11.553 12.156 1.00 0.00 H new ATOM 0 HG1 THR A 95 22.813 11.888 11.161 1.00 0.00 H new ATOM 0 HG21 THR A 95 21.421 10.183 10.229 1.00 0.00 H new ATOM 0 HG22 THR A 95 19.668 10.491 10.211 1.00 0.00 H new ATOM 0 HG23 THR A 95 20.742 11.400 9.121 1.00 0.00 H new ATOM 1525 N GLY A 96 20.416 15.387 11.566 1.00 0.00 N ATOM 1526 CA GLY A 96 20.703 16.501 12.451 1.00 0.00 C ATOM 1527 C GLY A 96 22.180 16.623 12.769 1.00 0.00 C ATOM 1528 O GLY A 96 22.614 17.606 13.369 1.00 0.00 O ATOM 0 H GLY A 96 20.532 15.588 10.573 1.00 0.00 H new ATOM 0 HA2 GLY A 96 20.356 17.426 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 96 20.144 16.378 13.378 1.00 0.00 H new ATOM 1532 N ALA A 97 22.955 15.621 12.367 1.00 0.00 N ATOM 1533 CA ALA A 97 24.391 15.620 12.613 1.00 0.00 C ATOM 1534 C ALA A 97 25.158 15.132 11.388 1.00 0.00 C ATOM 1535 O ALA A 97 24.665 14.298 10.627 1.00 0.00 O ATOM 1536 CB ALA A 97 24.720 14.756 13.822 1.00 0.00 C ATOM 0 H ALA A 97 22.612 14.799 11.869 1.00 0.00 H new ATOM 0 HA ALA A 97 24.699 16.645 12.818 1.00 0.00 H new ATOM 0 HB1 ALA A 97 25.796 14.765 13.993 1.00 0.00 H new ATOM 0 HB2 ALA A 97 24.209 15.150 14.701 1.00 0.00 H new ATOM 0 HB3 ALA A 97 24.390 13.733 13.639 1.00 0.00 H new ATOM 1542 N SER A 98 26.364 15.657 11.203 1.00 0.00 N ATOM 1543 CA SER A 98 27.197 15.278 10.067 1.00 0.00 C ATOM 1544 C SER A 98 27.595 13.807 10.153 1.00 0.00 C ATOM 1545 O SER A 98 27.510 13.175 11.205 1.00 0.00 O ATOM 1546 CB SER A 98 28.449 16.155 10.010 1.00 0.00 C ATOM 1547 OG SER A 98 28.296 17.202 9.068 1.00 0.00 O ATOM 0 H SER A 98 26.787 16.346 11.825 1.00 0.00 H new ATOM 0 HA SER A 98 26.617 15.427 9.156 1.00 0.00 H new ATOM 0 HB2 SER A 98 28.648 16.575 10.996 1.00 0.00 H new ATOM 0 HB3 SER A 98 29.312 15.545 9.743 1.00 0.00 H new ATOM 0 HG SER A 98 29.109 17.749 9.052 1.00 0.00 H new ATOM 1553 N PRO A 99 28.042 13.249 9.018 1.00 0.00 N ATOM 1554 CA PRO A 99 28.463 11.848 8.937 1.00 0.00 C ATOM 1555 C PRO A 99 29.763 11.589 9.691 1.00 0.00 C ATOM 1556 O PRO A 99 29.972 10.503 10.233 1.00 0.00 O ATOM 1557 CB PRO A 99 28.662 11.622 7.436 1.00 0.00 C ATOM 1558 CG PRO A 99 28.957 12.975 6.886 1.00 0.00 C ATOM 1559 CD PRO A 99 28.171 13.944 7.726 1.00 0.00 C ATOM 0 HA PRO A 99 27.733 11.177 9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 99 29.482 10.929 7.245 1.00 0.00 H new ATOM 0 HB3 PRO A 99 27.770 11.194 6.978 1.00 0.00 H new ATOM 0 HG2 PRO A 99 30.024 13.192 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 99 28.666 13.042 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 99 28.690 14.897 7.832 1.00 0.00 H new ATOM 0 HD3 PRO A 99 27.197 14.159 7.286 1.00 0.00 H new ATOM 1567 N SER A 100 30.634 12.593 9.723 1.00 0.00 N ATOM 1568 CA SER A 100 31.915 12.472 10.408 1.00 0.00 C ATOM 1569 C SER A 100 31.716 12.359 11.916 1.00 0.00 C ATOM 1570 O SER A 100 32.469 11.668 12.602 1.00 0.00 O ATOM 1571 CB SER A 100 32.804 13.676 10.089 1.00 0.00 C ATOM 1572 OG SER A 100 32.147 14.892 10.403 1.00 0.00 O ATOM 0 H SER A 100 30.475 13.499 9.282 1.00 0.00 H new ATOM 0 HA SER A 100 32.404 11.564 10.054 1.00 0.00 H new ATOM 0 HB2 SER A 100 33.734 13.605 10.653 1.00 0.00 H new ATOM 0 HB3 SER A 100 33.071 13.665 9.032 1.00 0.00 H new ATOM 0 HG SER A 100 32.736 15.646 10.192 1.00 0.00 H new ATOM 1578 N GLU A 101 30.696 13.043 12.425 1.00 0.00 N ATOM 1579 CA GLU A 101 30.398 13.019 13.853 1.00 0.00 C ATOM 1580 C GLU A 101 29.756 11.694 14.253 1.00 0.00 C ATOM 1581 O GLU A 101 30.156 11.069 15.235 1.00 0.00 O ATOM 1582 CB GLU A 101 29.471 14.180 14.222 1.00 0.00 C ATOM 1583 CG GLU A 101 29.286 14.357 15.719 1.00 0.00 C ATOM 1584 CD GLU A 101 30.245 15.373 16.310 1.00 0.00 C ATOM 1585 OE1 GLU A 101 30.419 16.448 15.699 1.00 0.00 O ATOM 1586 OE2 GLU A 101 30.821 15.093 17.381 1.00 0.00 O ATOM 0 H GLU A 101 30.063 13.620 11.871 1.00 0.00 H new ATOM 0 HA GLU A 101 31.337 13.126 14.396 1.00 0.00 H new ATOM 0 HB2 GLU A 101 29.873 15.102 13.802 1.00 0.00 H new ATOM 0 HB3 GLU A 101 28.497 14.017 13.761 1.00 0.00 H new ATOM 0 HG2 GLU A 101 28.262 14.670 15.920 1.00 0.00 H new ATOM 0 HG3 GLU A 101 29.429 13.397 16.215 1.00 0.00 H new ATOM 1593 N PHE A 102 28.757 11.272 13.484 1.00 0.00 N ATOM 1594 CA PHE A 102 28.058 10.022 13.759 1.00 0.00 C ATOM 1595 C PHE A 102 29.027 8.843 13.751 1.00 0.00 C ATOM 1596 O PHE A 102 28.929 7.940 14.582 1.00 0.00 O ATOM 1597 CB PHE A 102 26.952 9.794 12.726 1.00 0.00 C ATOM 1598 CG PHE A 102 25.883 8.847 13.190 1.00 0.00 C ATOM 1599 CD1 PHE A 102 25.158 9.111 14.341 1.00 0.00 C ATOM 1600 CD2 PHE A 102 25.604 7.693 12.477 1.00 0.00 C ATOM 1601 CE1 PHE A 102 24.173 8.242 14.771 1.00 0.00 C ATOM 1602 CE2 PHE A 102 24.620 6.820 12.902 1.00 0.00 C ATOM 1603 CZ PHE A 102 23.905 7.094 14.051 1.00 0.00 C ATOM 0 H PHE A 102 28.414 11.777 12.667 1.00 0.00 H new ATOM 0 HA PHE A 102 27.611 10.095 14.750 1.00 0.00 H new ATOM 0 HB2 PHE A 102 26.495 10.752 12.478 1.00 0.00 H new ATOM 0 HB3 PHE A 102 27.397 9.406 11.809 1.00 0.00 H new ATOM 0 HD1 PHE A 102 25.365 10.006 14.909 1.00 0.00 H new ATOM 0 HD2 PHE A 102 26.162 7.473 11.579 1.00 0.00 H new ATOM 0 HE1 PHE A 102 23.614 8.460 15.669 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.411 5.924 12.336 1.00 0.00 H new ATOM 0 HZ PHE A 102 23.138 6.412 14.386 1.00 0.00 H new ATOM 1613 N ARG A 103 29.961 8.859 12.806 1.00 0.00 N ATOM 1614 CA ARG A 103 30.947 7.792 12.689 1.00 0.00 C ATOM 1615 C ARG A 103 31.772 7.670 13.967 1.00 0.00 C ATOM 1616 O ARG A 103 32.095 6.567 14.406 1.00 0.00 O ATOM 1617 CB ARG A 103 31.870 8.050 11.496 1.00 0.00 C ATOM 1618 CG ARG A 103 32.796 6.887 11.179 1.00 0.00 C ATOM 1619 CD ARG A 103 33.785 7.246 10.082 1.00 0.00 C ATOM 1620 NE ARG A 103 35.000 6.438 10.155 1.00 0.00 N ATOM 1621 CZ ARG A 103 36.127 6.747 9.523 1.00 0.00 C ATOM 1622 NH1 ARG A 103 36.193 7.840 8.775 1.00 0.00 N ATOM 1623 NH2 ARG A 103 37.190 5.962 9.638 1.00 0.00 N ATOM 0 H ARG A 103 30.056 9.599 12.110 1.00 0.00 H new ATOM 0 HA ARG A 103 30.413 6.855 12.531 1.00 0.00 H new ATOM 0 HB2 ARG A 103 31.262 8.269 10.618 1.00 0.00 H new ATOM 0 HB3 ARG A 103 32.471 8.937 11.697 1.00 0.00 H new ATOM 0 HG2 ARG A 103 33.338 6.597 12.079 1.00 0.00 H new ATOM 0 HG3 ARG A 103 32.206 6.024 10.870 1.00 0.00 H new ATOM 0 HD2 ARG A 103 33.314 7.106 9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 103 34.046 8.301 10.160 1.00 0.00 H new ATOM 0 HE ARG A 103 34.982 5.590 10.722 1.00 0.00 H new ATOM 0 HH11 ARG A 103 35.377 8.446 8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 103 37.059 8.075 8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 103 37.143 5.120 10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 103 38.055 6.200 9.152 1.00 0.00 H new ATOM 1637 N ALA A 104 32.109 8.811 14.558 1.00 0.00 N ATOM 1638 CA ALA A 104 32.895 8.833 15.786 1.00 0.00 C ATOM 1639 C ALA A 104 32.113 8.228 16.947 1.00 0.00 C ATOM 1640 O ALA A 104 32.697 7.701 17.893 1.00 0.00 O ATOM 1641 CB ALA A 104 33.319 10.256 16.116 1.00 0.00 C ATOM 0 H ALA A 104 31.850 9.733 14.206 1.00 0.00 H new ATOM 0 HA ALA A 104 33.788 8.228 15.629 1.00 0.00 H new ATOM 0 HB1 ALA A 104 33.905 10.257 17.035 1.00 0.00 H new ATOM 0 HB2 ALA A 104 33.923 10.654 15.300 1.00 0.00 H new ATOM 0 HB3 ALA A 104 32.434 10.878 16.249 1.00 0.00 H new ATOM 1647 N GLY A 105 30.788 8.309 16.870 1.00 0.00 N ATOM 1648 CA GLY A 105 29.949 7.767 17.922 1.00 0.00 C ATOM 1649 C GLY A 105 29.708 8.760 19.041 1.00 0.00 C ATOM 1650 O GLY A 105 29.208 8.395 20.106 1.00 0.00 O ATOM 0 H GLY A 105 30.281 8.741 16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 105 28.992 7.462 17.498 1.00 0.00 H new ATOM 0 HA3 GLY A 105 30.417 6.871 18.330 1.00 0.00 H new ATOM 1654 N CYS A 106 30.067 10.016 18.803 1.00 0.00 N ATOM 1655 CA CYS A 106 29.889 11.065 19.801 1.00 0.00 C ATOM 1656 C CYS A 106 28.498 11.682 19.699 1.00 0.00 C ATOM 1657 O CYS A 106 28.063 12.079 18.619 1.00 0.00 O ATOM 1658 CB CYS A 106 30.955 12.148 19.628 1.00 0.00 C ATOM 1659 SG CYS A 106 31.300 13.091 21.132 1.00 0.00 S ATOM 0 H CYS A 106 30.483 10.333 17.928 1.00 0.00 H new ATOM 0 HA CYS A 106 29.995 10.615 20.788 1.00 0.00 H new ATOM 0 HB2 CYS A 106 31.879 11.682 19.284 1.00 0.00 H new ATOM 0 HB3 CYS A 106 30.635 12.836 18.846 1.00 0.00 H new ATOM 0 HG CYS A 106 32.216 13.981 20.886 1.00 0.00 H new