USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 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 44 CYS SG : rot -135:sc=-0.00689 USER MOD Set 1.2: A 45 HIS : no HD1:sc= -0.454 K(o=-9.3,f=-12!) USER MOD Set 1.3: A 50 CYS SG : rot -90:sc= -1.65 USER MOD Set 1.4: A 60 CYS SG : rot -129:sc= -1.99! USER MOD Set 1.5: A 61 GLN : amide:sc= 0.113 K(o=-9.3,f=-17!) USER MOD Set 1.6: A 63 CYS SG : rot -73:sc= -5.33! USER MOD Set 2.1: A 40 MET CE :methyl -141:sc= -0.101 (180deg=-0.361) USER MOD Set 2.2: A 42 TYR OH : rot 15:sc= 0.406 USER MOD Set 2.3: A 66 GLN : amide:sc= -1.28! K(o=-0.97!,f=-2.3) USER MOD Set 3.1: A 37 GLN : amide:sc= -13.7! C(o=-17!,f=-5.9!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -120:sc= -0.151 (180deg=-2.1!) USER MOD Set 3.3: A 75 LYS NZ :NH3+ -139:sc= -3.47! (180deg=-0.0999) USER MOD Set 4.1: A 8 CYS SG : rot -72:sc= 0.567! USER MOD Set 4.2: A 11 CYS SG : rot -44:sc= 0.304 USER MOD Set 4.3: A 25 CYS SG : rot 124:sc= 0.302 USER MOD Set 4.4: A 28 CYS SG : rot 153:sc= -0.182 USER MOD Set 4.5: A 68 CYS SG : rot 94:sc= 0.532 USER MOD Set 5.1: A 18 TYR OH : rot 180:sc= -3.88! USER MOD Set 5.2: A 19 HIS : no HE2:sc= 0.409 K(o=-2.4,f=-18!) USER MOD Set 5.3: A 29 LYS NZ :NH3+ -165:sc= 1.05 (180deg=-0.0695) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.114) USER MOD Single : A 12 GLN : amide:sc= 0.147 K(o=0.15,f=-0.61) USER MOD Single : A 16 SER OG : rot -76:sc= 0.376 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.501 USER MOD Single : A 23 SER OG : rot -81:sc= 0.0523 USER MOD Single : A 35 SER OG : rot 150:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.93 K(o=-1.9,f=-3.5!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -3.42! (180deg=-8.19!) USER MOD Single : A 49 ASN : amide:sc= -0.456 K(o=-0.46,f=-2.1) USER MOD Single : A 53 ASN : amide:sc= -2.67! K(o=-2.7!,f=-4.1) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 85:sc= -0.218 USER MOD Single : A 58 ASN : amide:sc= 0.387 X(o=0.39,f=-0.067) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.279 (180deg=0.275) USER MOD Single : A 73 MET CE :methyl 168:sc= -2.22 (180deg=-2.31) USER MOD Single : A 74 SER OG : rot -48:sc= 1.27 USER MOD Single : A 77 SER OG : rot 51:sc= 0.491 USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 46 N LYS A 6 7.176 9.214 0.423 1.00 0.00 N ATOM 47 CA LYS A 6 6.059 8.250 0.344 1.00 0.00 C ATOM 48 C LYS A 6 5.978 7.312 -0.878 1.00 0.00 C ATOM 49 O LYS A 6 6.074 6.133 -0.581 1.00 0.00 O ATOM 50 CB LYS A 6 4.757 8.834 0.884 1.00 0.00 C ATOM 51 CG LYS A 6 4.533 10.341 0.705 1.00 0.00 C ATOM 52 CD LYS A 6 5.105 11.252 1.814 1.00 0.00 C ATOM 53 CE LYS A 6 4.904 12.734 1.495 1.00 0.00 C ATOM 54 NZ LYS A 6 5.782 13.153 0.388 1.00 0.00 N ATOM 0 HA LYS A 6 6.334 7.466 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.929 8.311 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.703 8.609 1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.972 10.642 -0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.461 10.522 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.622 11.016 2.762 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.169 11.048 1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.863 12.916 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.116 13.334 2.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.770 14.190 0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.753 12.831 0.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.443 12.734 -0.502 1.00 0.00 H new ATOM 55 N PRO A 7 5.468 7.646 -2.075 1.00 0.00 N ATOM 56 CA PRO A 7 4.311 8.490 -2.407 1.00 0.00 C ATOM 57 C PRO A 7 2.994 7.749 -2.188 1.00 0.00 C ATOM 58 O PRO A 7 1.985 8.096 -2.771 1.00 0.00 O ATOM 59 CB PRO A 7 4.493 8.813 -3.878 1.00 0.00 C ATOM 60 CG PRO A 7 5.231 7.621 -4.462 1.00 0.00 C ATOM 61 CD PRO A 7 6.200 7.346 -3.318 1.00 0.00 C ATOM 0 HA PRO A 7 4.264 9.378 -1.777 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.532 8.960 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.063 9.732 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.571 6.777 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.741 7.859 -5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.534 6.308 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.091 7.968 -3.405 1.00 0.00 H new ATOM 62 N CYS A 8 2.997 6.970 -1.125 1.00 0.00 N ATOM 63 CA CYS A 8 2.389 5.631 -1.144 1.00 0.00 C ATOM 64 C CYS A 8 1.400 5.108 -0.091 1.00 0.00 C ATOM 65 O CYS A 8 0.454 4.432 -0.487 1.00 0.00 O ATOM 66 CB CYS A 8 3.535 4.669 -1.279 1.00 0.00 C ATOM 67 SG CYS A 8 3.092 2.920 -1.544 1.00 0.00 S ATOM 0 H CYS A 8 3.411 7.231 -0.230 1.00 0.00 H new ATOM 0 HA CYS A 8 1.674 5.725 -1.961 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.159 4.994 -2.112 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.145 4.735 -0.378 1.00 0.00 H new ATOM 0 HG CYS A 8 2.616 2.421 -0.442 1.00 0.00 H new ATOM 68 N PHE A 9 1.514 5.390 1.205 1.00 0.00 N ATOM 69 CA PHE A 9 2.444 6.311 1.868 1.00 0.00 C ATOM 70 C PHE A 9 3.817 5.746 2.370 1.00 0.00 C ATOM 71 O PHE A 9 4.604 6.449 2.992 1.00 0.00 O ATOM 72 CB PHE A 9 1.654 7.103 2.918 1.00 0.00 C ATOM 73 CG PHE A 9 2.388 8.072 3.823 1.00 0.00 C ATOM 74 CD1 PHE A 9 2.366 9.428 3.438 1.00 0.00 C ATOM 75 CD2 PHE A 9 2.774 7.693 5.128 1.00 0.00 C ATOM 76 CE1 PHE A 9 2.725 10.425 4.348 1.00 0.00 C ATOM 77 CE2 PHE A 9 3.099 8.690 6.064 1.00 0.00 C ATOM 78 CZ PHE A 9 3.056 10.051 5.667 1.00 0.00 C ATOM 0 H PHE A 9 0.901 4.939 1.884 1.00 0.00 H new ATOM 0 HA PHE A 9 2.827 6.974 1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.883 7.666 2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.143 6.382 3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.070 9.697 2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.819 6.650 5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.749 11.462 4.047 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.378 8.423 7.073 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.282 10.819 6.392 1.00 0.00 H new ATOM 79 N VAL A 10 4.206 4.661 1.734 1.00 0.00 N ATOM 80 CA VAL A 10 5.268 3.738 2.185 1.00 0.00 C ATOM 81 C VAL A 10 6.419 3.370 1.213 1.00 0.00 C ATOM 82 O VAL A 10 7.590 3.299 1.599 1.00 0.00 O ATOM 83 CB VAL A 10 4.393 2.572 2.627 1.00 0.00 C ATOM 84 CG1 VAL A 10 4.877 1.129 2.452 1.00 0.00 C ATOM 85 CG2 VAL A 10 3.672 2.760 3.968 1.00 0.00 C ATOM 0 H VAL A 10 3.784 4.372 0.851 1.00 0.00 H new ATOM 0 HA VAL A 10 5.916 4.183 2.940 1.00 0.00 H new ATOM 0 HB VAL A 10 3.669 2.665 1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.117 0.443 2.825 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.057 0.931 1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.802 0.985 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.077 1.874 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.407 2.910 4.759 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.018 3.630 3.911 1.00 0.00 H new ATOM 86 N CYS A 11 6.049 3.203 -0.045 1.00 0.00 N ATOM 87 CA CYS A 11 6.825 2.583 -1.142 1.00 0.00 C ATOM 88 C CYS A 11 6.899 3.603 -2.301 1.00 0.00 C ATOM 89 O CYS A 11 5.889 3.866 -2.937 1.00 0.00 O ATOM 90 CB CYS A 11 6.026 1.335 -1.570 1.00 0.00 C ATOM 91 SG CYS A 11 5.880 0.951 -3.365 1.00 0.00 S ATOM 0 H CYS A 11 5.132 3.515 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 11 7.839 2.308 -0.850 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.477 0.471 -1.083 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.017 1.436 -1.170 1.00 0.00 H new ATOM 0 HG CYS A 11 5.622 2.042 -4.023 1.00 0.00 H new ATOM 92 N GLN A 12 7.881 4.477 -2.470 1.00 0.00 N ATOM 93 CA GLN A 12 8.806 5.167 -1.533 1.00 0.00 C ATOM 94 C GLN A 12 9.327 6.430 -2.249 1.00 0.00 C ATOM 95 O GLN A 12 10.012 6.314 -3.250 1.00 0.00 O ATOM 96 CB GLN A 12 9.935 4.346 -0.912 1.00 0.00 C ATOM 97 CG GLN A 12 10.709 5.159 0.134 1.00 0.00 C ATOM 98 CD GLN A 12 9.909 6.178 0.969 1.00 0.00 C ATOM 99 OE1 GLN A 12 10.252 7.358 0.967 1.00 0.00 O ATOM 100 NE2 GLN A 12 8.793 5.828 1.581 1.00 0.00 N ATOM 0 H GLN A 12 8.093 4.777 -3.421 1.00 0.00 H new ATOM 0 HA GLN A 12 8.220 5.403 -0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.522 3.451 -0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 12 10.617 4.013 -1.694 1.00 0.00 H new ATOM 0 HG2 GLN A 12 11.185 4.459 0.821 1.00 0.00 H new ATOM 0 HG3 GLN A 12 11.508 5.695 -0.379 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.500 4.851 1.588 1.00 0.00 H new ATOM 0 HE22 GLN A 12 8.224 6.535 2.047 1.00 0.00 H new ATOM 124 N SER A 16 2.148 11.575 -4.584 1.00 0.00 N ATOM 125 CA SER A 16 1.040 11.748 -5.534 1.00 0.00 C ATOM 126 C SER A 16 0.146 12.896 -5.037 1.00 0.00 C ATOM 127 O SER A 16 -0.090 13.046 -3.829 1.00 0.00 O ATOM 128 CB SER A 16 0.183 10.484 -5.576 1.00 0.00 C ATOM 129 OG SER A 16 -0.881 10.617 -6.532 1.00 0.00 O ATOM 0 HA SER A 16 1.448 11.956 -6.523 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.805 9.627 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.233 10.289 -4.588 1.00 0.00 H new ATOM 0 HG SER A 16 -1.584 11.191 -6.161 1.00 0.00 H new ATOM 130 N GLY A 17 -0.457 13.515 -6.024 1.00 0.00 N ATOM 131 CA GLY A 17 -1.584 14.472 -5.867 1.00 0.00 C ATOM 132 C GLY A 17 -2.754 13.658 -5.274 1.00 0.00 C ATOM 133 O GLY A 17 -3.003 12.547 -5.743 1.00 0.00 O ATOM 0 H GLY A 17 -0.186 13.379 -6.998 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.308 15.295 -5.208 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.860 14.910 -6.826 1.00 0.00 H new ATOM 134 N TYR A 18 -3.373 14.178 -4.214 1.00 0.00 N ATOM 135 CA TYR A 18 -4.098 13.263 -3.308 1.00 0.00 C ATOM 136 C TYR A 18 -5.629 13.137 -3.223 1.00 0.00 C ATOM 137 O TYR A 18 -6.395 13.958 -3.727 1.00 0.00 O ATOM 138 CB TYR A 18 -3.359 13.026 -1.974 1.00 0.00 C ATOM 139 CG TYR A 18 -2.922 11.549 -1.913 1.00 0.00 C ATOM 140 CD1 TYR A 18 -2.396 11.003 -3.113 1.00 0.00 C ATOM 141 CD2 TYR A 18 -3.669 10.721 -1.036 1.00 0.00 C ATOM 142 CE1 TYR A 18 -2.858 9.759 -3.577 1.00 0.00 C ATOM 143 CE2 TYR A 18 -4.065 9.444 -1.445 1.00 0.00 C ATOM 144 CZ TYR A 18 -3.696 9.009 -2.738 1.00 0.00 C ATOM 145 OH TYR A 18 -4.387 7.959 -3.239 1.00 0.00 O ATOM 0 H TYR A 18 -3.395 15.166 -3.963 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.041 12.413 -3.987 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.491 13.681 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.010 13.263 -1.133 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.643 11.542 -3.668 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.932 11.078 -0.051 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.576 9.391 -4.552 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -4.639 8.806 -0.789 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.919 7.547 -2.526 1.00 0.00 H new ATOM 146 N HIS A 19 -5.970 11.947 -2.728 1.00 0.00 N ATOM 147 CA HIS A 19 -7.286 11.290 -2.748 1.00 0.00 C ATOM 148 C HIS A 19 -7.793 11.092 -1.296 1.00 0.00 C ATOM 149 O HIS A 19 -8.124 12.068 -0.627 1.00 0.00 O ATOM 150 CB HIS A 19 -7.074 9.947 -3.479 1.00 0.00 C ATOM 151 CG HIS A 19 -6.606 10.102 -4.926 1.00 0.00 C ATOM 152 ND1 HIS A 19 -6.932 11.060 -5.796 1.00 0.00 N ATOM 153 CD2 HIS A 19 -5.814 9.247 -5.546 1.00 0.00 C ATOM 154 CE1 HIS A 19 -6.376 10.762 -6.965 1.00 0.00 C ATOM 155 NE2 HIS A 19 -5.694 9.636 -6.809 1.00 0.00 N ATOM 0 H HIS A 19 -5.275 11.364 -2.261 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.044 11.883 -3.260 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -6.340 9.357 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.008 9.385 -3.467 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -7.508 11.878 -5.598 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -5.345 8.381 -5.102 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.464 11.333 -7.877 1.00 0.00 H new ATOM 156 N TYR A 20 -7.588 9.902 -0.727 1.00 0.00 N ATOM 157 CA TYR A 20 -8.162 9.519 0.572 1.00 0.00 C ATOM 158 C TYR A 20 -7.173 9.385 1.742 1.00 0.00 C ATOM 159 O TYR A 20 -6.439 8.399 1.817 1.00 0.00 O ATOM 160 CB TYR A 20 -9.089 8.297 0.474 1.00 0.00 C ATOM 161 CG TYR A 20 -8.751 7.219 -0.569 1.00 0.00 C ATOM 162 CD1 TYR A 20 -7.524 6.499 -0.538 1.00 0.00 C ATOM 163 CD2 TYR A 20 -9.651 7.118 -1.657 1.00 0.00 C ATOM 164 CE1 TYR A 20 -7.188 5.701 -1.634 1.00 0.00 C ATOM 165 CE2 TYR A 20 -9.325 6.276 -2.735 1.00 0.00 C ATOM 166 CZ TYR A 20 -8.104 5.575 -2.694 1.00 0.00 C ATOM 167 OH TYR A 20 -7.750 4.813 -3.766 1.00 0.00 O ATOM 0 H TYR A 20 -7.018 9.172 -1.153 1.00 0.00 H new ATOM 0 HA TYR A 20 -8.764 10.389 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.116 7.818 1.453 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.097 8.657 0.268 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.866 6.568 0.316 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.574 7.679 -1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -6.238 5.188 -1.667 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.995 6.169 -3.575 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.478 4.813 -4.422 1.00 0.00 H new ATOM 168 N GLY A 21 -6.984 10.510 2.437 1.00 0.00 N ATOM 169 CA GLY A 21 -6.410 10.580 3.804 1.00 0.00 C ATOM 170 C GLY A 21 -4.878 10.466 3.963 1.00 0.00 C ATOM 171 O GLY A 21 -4.297 11.006 4.901 1.00 0.00 O ATOM 0 H GLY A 21 -7.229 11.427 2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.720 11.527 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.865 9.787 4.397 1.00 0.00 H new ATOM 172 N VAL A 22 -4.269 9.799 2.999 1.00 0.00 N ATOM 173 CA VAL A 22 -2.835 9.439 2.961 1.00 0.00 C ATOM 174 C VAL A 22 -2.132 10.254 1.848 1.00 0.00 C ATOM 175 O VAL A 22 -2.469 11.396 1.556 1.00 0.00 O ATOM 176 CB VAL A 22 -2.845 7.897 2.784 1.00 0.00 C ATOM 177 CG1 VAL A 22 -3.407 7.446 1.438 1.00 0.00 C ATOM 178 CG2 VAL A 22 -1.559 7.131 2.679 1.00 0.00 C ATOM 0 H VAL A 22 -4.772 9.471 2.175 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.259 9.686 3.852 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.390 7.691 3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.385 6.358 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.435 7.794 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.803 7.864 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.776 6.070 2.560 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.994 7.485 1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.971 7.282 3.584 1.00 0.00 H new ATOM 179 N SER A 23 -0.993 9.717 1.443 1.00 0.00 N ATOM 180 CA SER A 23 -0.448 9.894 0.085 1.00 0.00 C ATOM 181 C SER A 23 -0.299 8.502 -0.514 1.00 0.00 C ATOM 182 O SER A 23 0.093 7.563 0.182 1.00 0.00 O ATOM 183 CB SER A 23 0.902 10.572 0.028 1.00 0.00 C ATOM 184 OG SER A 23 1.137 10.889 -1.347 1.00 0.00 O ATOM 0 H SER A 23 -0.407 9.139 2.045 1.00 0.00 H new ATOM 0 HA SER A 23 -1.136 10.543 -0.458 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.910 11.473 0.641 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.682 9.916 0.414 1.00 0.00 H new ATOM 0 HG SER A 23 1.461 10.092 -1.816 1.00 0.00 H new ATOM 185 N ALA A 24 -0.916 8.316 -1.666 1.00 0.00 N ATOM 186 CA ALA A 24 -0.804 7.069 -2.405 1.00 0.00 C ATOM 187 C ALA A 24 -0.287 7.124 -3.850 1.00 0.00 C ATOM 188 O ALA A 24 -0.929 7.721 -4.711 1.00 0.00 O ATOM 189 CB ALA A 24 -2.070 6.197 -2.316 1.00 0.00 C ATOM 0 H ALA A 24 -1.505 9.018 -2.114 1.00 0.00 H new ATOM 0 HA ALA A 24 0.012 6.594 -1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.922 5.281 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.266 5.946 -1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.919 6.746 -2.723 1.00 0.00 H new ATOM 190 N CYS A 25 0.480 6.075 -4.106 1.00 0.00 N ATOM 191 CA CYS A 25 1.604 6.022 -5.081 1.00 0.00 C ATOM 192 C CYS A 25 1.202 5.866 -6.563 1.00 0.00 C ATOM 193 O CYS A 25 1.976 5.454 -7.413 1.00 0.00 O ATOM 194 CB CYS A 25 2.313 4.737 -4.666 1.00 0.00 C ATOM 195 SG CYS A 25 3.837 4.092 -5.448 1.00 0.00 S ATOM 0 H CYS A 25 0.344 5.185 -3.626 1.00 0.00 H new ATOM 0 HA CYS A 25 2.169 6.954 -5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 25 2.542 4.848 -3.606 1.00 0.00 H new ATOM 0 HB3 CYS A 25 1.571 3.943 -4.751 1.00 0.00 H new ATOM 0 HG CYS A 25 4.755 3.931 -4.542 1.00 0.00 H new ATOM 196 N GLU A 26 0.007 6.378 -6.829 1.00 0.00 N ATOM 197 CA GLU A 26 -0.723 6.419 -8.117 1.00 0.00 C ATOM 198 C GLU A 26 -1.130 4.993 -8.510 1.00 0.00 C ATOM 199 O GLU A 26 -2.306 4.625 -8.367 1.00 0.00 O ATOM 200 CB GLU A 26 0.054 7.152 -9.214 1.00 0.00 C ATOM 201 CG GLU A 26 0.112 8.666 -9.014 1.00 0.00 C ATOM 202 CD GLU A 26 1.454 9.185 -8.483 1.00 0.00 C ATOM 203 OE1 GLU A 26 1.987 8.598 -7.512 1.00 0.00 O ATOM 204 OE2 GLU A 26 1.894 10.226 -9.022 1.00 0.00 O ATOM 0 H GLU A 26 -0.537 6.819 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.630 7.010 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.070 6.760 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.407 6.939 -10.179 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.102 9.154 -9.965 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.677 8.959 -8.321 1.00 0.00 H new ATOM 205 N GLY A 27 -0.104 4.142 -8.594 1.00 0.00 N ATOM 206 CA GLY A 27 -0.227 2.682 -8.628 1.00 0.00 C ATOM 207 C GLY A 27 -0.982 2.184 -7.381 1.00 0.00 C ATOM 208 O GLY A 27 -2.038 1.581 -7.534 1.00 0.00 O ATOM 0 H GLY A 27 0.864 4.459 -8.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.757 2.375 -9.530 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.763 2.227 -8.669 1.00 0.00 H new ATOM 209 N CYS A 28 -0.621 2.703 -6.194 1.00 0.00 N ATOM 210 CA CYS A 28 -1.205 2.192 -4.950 1.00 0.00 C ATOM 211 C CYS A 28 -2.685 2.476 -4.687 1.00 0.00 C ATOM 212 O CYS A 28 -3.373 1.572 -4.249 1.00 0.00 O ATOM 213 CB CYS A 28 -0.416 2.355 -3.680 1.00 0.00 C ATOM 214 SG CYS A 28 1.208 1.540 -3.884 1.00 0.00 S ATOM 0 H CYS A 28 0.055 3.457 -6.074 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.132 1.140 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.281 3.413 -3.453 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.956 1.915 -2.842 1.00 0.00 H new ATOM 0 HG CYS A 28 2.081 2.113 -3.110 1.00 0.00 H new ATOM 215 N LYS A 29 -3.168 3.669 -5.012 1.00 0.00 N ATOM 216 CA LYS A 29 -4.610 3.975 -4.966 1.00 0.00 C ATOM 217 C LYS A 29 -5.432 3.085 -5.938 1.00 0.00 C ATOM 218 O LYS A 29 -6.448 2.503 -5.543 1.00 0.00 O ATOM 219 CB LYS A 29 -4.829 5.472 -5.155 1.00 0.00 C ATOM 220 CG LYS A 29 -4.313 6.099 -6.463 1.00 0.00 C ATOM 221 CD LYS A 29 -5.403 6.183 -7.534 1.00 0.00 C ATOM 222 CE LYS A 29 -4.925 6.799 -8.846 1.00 0.00 C ATOM 223 NZ LYS A 29 -4.432 8.188 -8.666 1.00 0.00 N ATOM 0 H LYS A 29 -2.586 4.451 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.995 3.720 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.899 5.668 -5.085 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.355 5.991 -4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.930 7.099 -6.258 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.478 5.509 -6.842 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.785 5.181 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.235 6.772 -7.148 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.129 6.184 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.743 6.796 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.358 8.653 -9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.096 8.717 -8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.496 8.168 -8.213 1.00 0.00 H new ATOM 224 N GLY A 30 -4.871 2.851 -7.126 1.00 0.00 N ATOM 225 CA GLY A 30 -5.409 1.897 -8.132 1.00 0.00 C ATOM 226 C GLY A 30 -5.445 0.461 -7.584 1.00 0.00 C ATOM 227 O GLY A 30 -6.521 -0.117 -7.416 1.00 0.00 O ATOM 0 H GLY A 30 -4.018 3.319 -7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.414 2.202 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.794 1.929 -9.031 1.00 0.00 H new ATOM 228 N PHE A 31 -4.285 0.023 -7.099 1.00 0.00 N ATOM 229 CA PHE A 31 -4.077 -1.239 -6.361 1.00 0.00 C ATOM 230 C PHE A 31 -5.025 -1.448 -5.165 1.00 0.00 C ATOM 231 O PHE A 31 -5.548 -2.544 -4.967 1.00 0.00 O ATOM 232 CB PHE A 31 -2.596 -1.190 -5.971 1.00 0.00 C ATOM 233 CG PHE A 31 -2.113 -1.988 -4.749 1.00 0.00 C ATOM 234 CD1 PHE A 31 -2.350 -1.423 -3.470 1.00 0.00 C ATOM 235 CD2 PHE A 31 -1.417 -3.204 -4.876 1.00 0.00 C ATOM 236 CE1 PHE A 31 -1.976 -2.107 -2.316 1.00 0.00 C ATOM 237 CE2 PHE A 31 -0.992 -3.884 -3.718 1.00 0.00 C ATOM 238 CZ PHE A 31 -1.323 -3.355 -2.438 1.00 0.00 C ATOM 0 H PHE A 31 -3.422 0.555 -7.210 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.320 -2.106 -6.975 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -2.019 -1.528 -6.832 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.336 -0.145 -5.803 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.824 -0.456 -3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.210 -3.613 -5.854 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.182 -1.690 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.421 -4.797 -3.800 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.072 -3.914 -1.549 1.00 0.00 H new ATOM 239 N PHE A 32 -5.359 -0.338 -4.522 1.00 0.00 N ATOM 240 CA PHE A 32 -6.061 -0.310 -3.224 1.00 0.00 C ATOM 241 C PHE A 32 -7.493 -0.761 -3.490 1.00 0.00 C ATOM 242 O PHE A 32 -7.902 -1.835 -3.060 1.00 0.00 O ATOM 243 CB PHE A 32 -5.921 1.134 -2.726 1.00 0.00 C ATOM 244 CG PHE A 32 -5.472 1.251 -1.290 1.00 0.00 C ATOM 245 CD1 PHE A 32 -4.315 0.531 -0.904 1.00 0.00 C ATOM 246 CD2 PHE A 32 -6.329 1.848 -0.353 1.00 0.00 C ATOM 247 CE1 PHE A 32 -4.085 0.305 0.469 1.00 0.00 C ATOM 248 CE2 PHE A 32 -6.121 1.563 0.987 1.00 0.00 C ATOM 249 CZ PHE A 32 -5.029 0.773 1.394 1.00 0.00 C ATOM 0 H PHE A 32 -5.151 0.592 -4.886 1.00 0.00 H new ATOM 0 HA PHE A 32 -5.667 -0.972 -2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.208 1.659 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.880 1.640 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.623 0.162 -1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.125 2.508 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.200 -0.218 0.801 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.804 1.951 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.916 0.523 2.439 1.00 0.00 H new ATOM 250 N ARG A 33 -8.098 -0.101 -4.477 1.00 0.00 N ATOM 251 CA ARG A 33 -9.359 -0.535 -5.108 1.00 0.00 C ATOM 252 C ARG A 33 -9.313 -1.935 -5.707 1.00 0.00 C ATOM 253 O ARG A 33 -10.053 -2.803 -5.273 1.00 0.00 O ATOM 254 CB ARG A 33 -9.655 0.536 -6.172 1.00 0.00 C ATOM 255 CG ARG A 33 -10.892 0.203 -7.008 1.00 0.00 C ATOM 256 CD ARG A 33 -11.361 1.391 -7.845 1.00 0.00 C ATOM 257 NE ARG A 33 -12.469 0.950 -8.712 1.00 0.00 N ATOM 258 CZ ARG A 33 -13.722 1.423 -8.723 1.00 0.00 C ATOM 259 NH1 ARG A 33 -14.120 2.411 -7.939 1.00 0.00 N ATOM 260 NH2 ARG A 33 -14.621 0.834 -9.493 1.00 0.00 N ATOM 0 H ARG A 33 -7.726 0.763 -4.871 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.147 -0.616 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.799 1.499 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.792 0.638 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -10.668 -0.637 -7.666 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.699 -0.115 -6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -11.689 2.204 -7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -10.539 1.776 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 33 -12.259 0.204 -9.375 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.462 2.845 -7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.085 2.739 -7.982 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.355 0.033 -10.066 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.580 1.181 -9.514 1.00 0.00 H new ATOM 261 N ARG A 34 -8.317 -2.139 -6.548 1.00 0.00 N ATOM 262 CA ARG A 34 -8.191 -3.392 -7.296 1.00 0.00 C ATOM 263 C ARG A 34 -8.266 -4.631 -6.425 1.00 0.00 C ATOM 264 O ARG A 34 -9.277 -5.326 -6.455 1.00 0.00 O ATOM 265 CB ARG A 34 -6.846 -3.382 -8.066 1.00 0.00 C ATOM 266 CG ARG A 34 -6.708 -4.496 -9.101 1.00 0.00 C ATOM 267 CD ARG A 34 -7.129 -4.033 -10.496 1.00 0.00 C ATOM 268 NE ARG A 34 -6.139 -3.063 -11.003 1.00 0.00 N ATOM 269 CZ ARG A 34 -6.134 -2.448 -12.191 1.00 0.00 C ATOM 270 NH1 ARG A 34 -7.092 -2.638 -13.086 1.00 0.00 N ATOM 271 NH2 ARG A 34 -5.135 -1.652 -12.511 1.00 0.00 N ATOM 0 H ARG A 34 -7.580 -1.459 -6.736 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.040 -3.444 -7.978 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.734 -2.420 -8.567 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.029 -3.465 -7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.674 -4.839 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.319 -5.348 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.198 -4.887 -11.170 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.118 -3.576 -10.458 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.369 -2.835 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.865 -3.270 -12.879 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.056 -2.152 -13.982 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.369 -1.506 -11.854 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.128 -1.181 -13.416 1.00 0.00 H new ATOM 272 N SER A 35 -7.442 -4.615 -5.377 1.00 0.00 N ATOM 273 CA SER A 35 -7.567 -5.629 -4.343 1.00 0.00 C ATOM 274 C SER A 35 -8.864 -5.490 -3.543 1.00 0.00 C ATOM 275 O SER A 35 -9.844 -6.155 -3.851 1.00 0.00 O ATOM 276 CB SER A 35 -6.364 -5.649 -3.429 1.00 0.00 C ATOM 277 OG SER A 35 -5.216 -6.090 -4.172 1.00 0.00 O ATOM 0 H SER A 35 -6.702 -3.929 -5.227 1.00 0.00 H new ATOM 0 HA SER A 35 -7.610 -6.588 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.187 -4.655 -3.019 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.544 -6.315 -2.585 1.00 0.00 H new ATOM 0 HG SER A 35 -4.408 -5.678 -3.801 1.00 0.00 H new ATOM 278 N ILE A 36 -8.970 -4.429 -2.759 1.00 0.00 N ATOM 279 CA ILE A 36 -10.006 -4.383 -1.715 1.00 0.00 C ATOM 280 C ILE A 36 -11.445 -4.419 -2.231 1.00 0.00 C ATOM 281 O ILE A 36 -12.230 -5.268 -1.821 1.00 0.00 O ATOM 282 CB ILE A 36 -9.840 -3.191 -0.789 1.00 0.00 C ATOM 283 CG1 ILE A 36 -8.475 -3.280 -0.123 1.00 0.00 C ATOM 284 CG2 ILE A 36 -10.860 -3.005 0.321 1.00 0.00 C ATOM 285 CD1 ILE A 36 -8.035 -1.865 0.194 1.00 0.00 C ATOM 0 H ILE A 36 -8.373 -3.604 -2.814 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.844 -5.308 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.978 -2.336 -1.451 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.529 -3.878 0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.757 -3.767 -0.782 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.611 -2.114 0.898 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.853 -2.891 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.848 -3.876 0.976 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.057 -1.887 0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.973 -1.288 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.758 -1.401 0.865 1.00 0.00 H new ATOM 286 N GLN A 37 -11.694 -3.575 -3.227 1.00 0.00 N ATOM 287 CA GLN A 37 -13.050 -3.338 -3.697 1.00 0.00 C ATOM 288 C GLN A 37 -13.675 -4.609 -4.319 1.00 0.00 C ATOM 289 O GLN A 37 -14.857 -4.895 -4.143 1.00 0.00 O ATOM 290 CB GLN A 37 -12.996 -2.220 -4.735 1.00 0.00 C ATOM 291 CG GLN A 37 -14.415 -1.700 -4.881 1.00 0.00 C ATOM 292 CD GLN A 37 -14.532 -0.765 -6.082 1.00 0.00 C ATOM 293 OE1 GLN A 37 -15.163 -1.070 -7.079 1.00 0.00 O ATOM 294 NE2 GLN A 37 -14.009 0.435 -5.965 1.00 0.00 N ATOM 0 H GLN A 37 -10.976 -3.046 -3.722 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.678 -3.057 -2.851 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.322 -1.425 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.619 -2.593 -5.688 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -15.103 -2.537 -4.999 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -14.708 -1.172 -3.974 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.482 0.682 -5.127 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -14.130 1.119 -6.712 1.00 0.00 H new ATOM 295 N LYS A 38 -12.840 -5.253 -5.119 1.00 0.00 N ATOM 296 CA LYS A 38 -13.198 -6.375 -6.002 1.00 0.00 C ATOM 297 C LYS A 38 -12.389 -7.683 -5.868 1.00 0.00 C ATOM 298 O LYS A 38 -12.979 -8.746 -5.727 1.00 0.00 O ATOM 299 CB LYS A 38 -13.202 -5.792 -7.413 1.00 0.00 C ATOM 300 CG LYS A 38 -11.909 -5.069 -7.836 1.00 0.00 C ATOM 301 CD LYS A 38 -12.004 -4.284 -9.140 1.00 0.00 C ATOM 302 CE LYS A 38 -12.658 -2.901 -8.964 1.00 0.00 C ATOM 303 NZ LYS A 38 -14.122 -3.007 -8.881 1.00 0.00 N ATOM 0 H LYS A 38 -11.852 -5.006 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.174 -6.754 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -13.394 -6.599 -8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.033 -5.091 -7.495 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.616 -4.386 -7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.113 -5.807 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.004 -4.157 -9.555 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.578 -4.862 -9.864 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.274 -2.428 -8.060 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.385 -2.258 -9.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.554 -2.464 -9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.403 -4.005 -8.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.446 -2.627 -7.969 1.00 0.00 H new ATOM 304 N ASN A 39 -11.067 -7.575 -5.905 1.00 0.00 N ATOM 305 CA ASN A 39 -10.182 -8.747 -6.061 1.00 0.00 C ATOM 306 C ASN A 39 -9.047 -8.974 -5.020 1.00 0.00 C ATOM 307 O ASN A 39 -7.888 -9.214 -5.344 1.00 0.00 O ATOM 308 CB ASN A 39 -9.705 -8.838 -7.525 1.00 0.00 C ATOM 309 CG ASN A 39 -8.850 -7.678 -8.049 1.00 0.00 C ATOM 310 OD1 ASN A 39 -7.743 -7.403 -7.609 1.00 0.00 O ATOM 311 ND2 ASN A 39 -9.313 -7.051 -9.103 1.00 0.00 N ATOM 0 H ASN A 39 -10.571 -6.687 -5.829 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.816 -9.597 -5.809 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -9.134 -9.759 -7.639 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.584 -8.927 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.749 -6.332 -9.557 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.237 -7.282 -9.469 1.00 0.00 H new ATOM 312 N MET A 40 -9.428 -8.969 -3.741 1.00 0.00 N ATOM 313 CA MET A 40 -8.491 -9.326 -2.652 1.00 0.00 C ATOM 314 C MET A 40 -8.746 -10.668 -1.973 1.00 0.00 C ATOM 315 O MET A 40 -9.768 -10.940 -1.369 1.00 0.00 O ATOM 316 CB MET A 40 -8.417 -8.234 -1.588 1.00 0.00 C ATOM 317 CG MET A 40 -9.759 -7.828 -0.986 1.00 0.00 C ATOM 318 SD MET A 40 -10.226 -8.649 0.582 1.00 0.00 S ATOM 319 CE MET A 40 -9.861 -7.307 1.683 1.00 0.00 C ATOM 0 H MET A 40 -10.367 -8.726 -3.427 1.00 0.00 H new ATOM 0 HA MET A 40 -7.536 -9.424 -3.168 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.764 -8.574 -0.785 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.951 -7.352 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 40 -9.747 -6.751 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.538 -8.027 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 40 -9.410 -7.697 2.595 1.00 0.00 H new ATOM 0 HE2 MET A 40 -9.167 -6.619 1.200 1.00 0.00 H new ATOM 0 HE3 MET A 40 -10.782 -6.779 1.931 1.00 0.00 H new ATOM 320 N ILE A 41 -7.886 -11.566 -2.426 1.00 0.00 N ATOM 321 CA ILE A 41 -7.618 -12.790 -1.671 1.00 0.00 C ATOM 322 C ILE A 41 -6.107 -13.034 -1.457 1.00 0.00 C ATOM 323 O ILE A 41 -5.339 -13.282 -2.393 1.00 0.00 O ATOM 324 CB ILE A 41 -8.440 -13.961 -2.189 1.00 0.00 C ATOM 325 CG1 ILE A 41 -8.638 -14.892 -0.989 1.00 0.00 C ATOM 326 CG2 ILE A 41 -7.879 -14.684 -3.431 1.00 0.00 C ATOM 327 CD1 ILE A 41 -9.638 -16.041 -1.172 1.00 0.00 C ATOM 0 H ILE A 41 -7.366 -11.478 -3.299 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.979 -12.661 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 41 -9.386 -13.586 -2.579 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.671 -15.320 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.962 -14.290 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.546 -15.499 -3.710 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.802 -13.979 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.891 -15.085 -3.203 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -9.690 -16.628 -0.255 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -10.623 -15.633 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -9.312 -16.679 -1.993 1.00 0.00 H new ATOM 328 N TYR A 42 -5.726 -12.863 -0.208 1.00 0.00 N ATOM 329 CA TYR A 42 -4.346 -12.500 0.192 1.00 0.00 C ATOM 330 C TYR A 42 -4.112 -12.684 1.708 1.00 0.00 C ATOM 331 O TYR A 42 -5.063 -12.686 2.478 1.00 0.00 O ATOM 332 CB TYR A 42 -4.144 -11.048 -0.299 1.00 0.00 C ATOM 333 CG TYR A 42 -5.127 -9.957 0.108 1.00 0.00 C ATOM 334 CD1 TYR A 42 -6.106 -10.102 1.132 1.00 0.00 C ATOM 335 CD2 TYR A 42 -4.773 -8.701 -0.394 1.00 0.00 C ATOM 336 CE1 TYR A 42 -6.685 -8.947 1.691 1.00 0.00 C ATOM 337 CE2 TYR A 42 -5.350 -7.545 0.145 1.00 0.00 C ATOM 338 CZ TYR A 42 -6.280 -7.687 1.195 1.00 0.00 C ATOM 339 OH TYR A 42 -6.693 -6.568 1.860 1.00 0.00 O ATOM 0 H TYR A 42 -6.361 -12.969 0.583 1.00 0.00 H new ATOM 0 HA TYR A 42 -3.603 -13.158 -0.259 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -3.155 -10.730 0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.124 -11.075 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.400 -11.083 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.055 -8.623 -1.197 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.420 -9.022 2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.089 -6.568 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.032 -6.820 2.744 1.00 0.00 H new ATOM 340 N THR A 43 -2.849 -12.895 2.089 1.00 0.00 N ATOM 341 CA THR A 43 -2.522 -13.385 3.455 1.00 0.00 C ATOM 342 C THR A 43 -1.345 -12.924 4.309 1.00 0.00 C ATOM 343 O THR A 43 -1.524 -12.747 5.503 1.00 0.00 O ATOM 344 CB THR A 43 -2.616 -14.930 3.481 1.00 0.00 C ATOM 345 OG1 THR A 43 -2.535 -15.396 4.833 1.00 0.00 O ATOM 346 CG2 THR A 43 -1.487 -15.574 2.670 1.00 0.00 C ATOM 0 H THR A 43 -2.038 -12.741 1.490 1.00 0.00 H new ATOM 0 HA THR A 43 -3.285 -12.816 3.986 1.00 0.00 H new ATOM 0 HB THR A 43 -3.571 -15.212 3.037 1.00 0.00 H new ATOM 0 HG1 THR A 43 -2.596 -16.374 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.584 -16.659 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 43 -1.548 -15.242 1.634 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.525 -15.280 3.089 1.00 0.00 H new ATOM 347 N CYS A 44 -0.136 -12.682 3.803 1.00 0.00 N ATOM 348 CA CYS A 44 0.268 -12.295 2.427 1.00 0.00 C ATOM 349 C CYS A 44 1.024 -13.358 1.627 1.00 0.00 C ATOM 350 O CYS A 44 1.814 -14.131 2.176 1.00 0.00 O ATOM 351 CB CYS A 44 1.182 -11.087 2.583 1.00 0.00 C ATOM 352 SG CYS A 44 1.794 -10.339 1.037 1.00 0.00 S ATOM 0 H CYS A 44 0.684 -12.757 4.404 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.648 -12.115 1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.647 -10.322 3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.041 -11.383 3.185 1.00 0.00 H new ATOM 0 HG CYS A 44 3.067 -10.099 1.145 1.00 0.00 H new ATOM 353 N HIS A 45 0.797 -13.276 0.320 1.00 0.00 N ATOM 354 CA HIS A 45 1.616 -13.967 -0.684 1.00 0.00 C ATOM 355 C HIS A 45 2.201 -13.019 -1.744 1.00 0.00 C ATOM 356 O HIS A 45 1.720 -12.886 -2.864 1.00 0.00 O ATOM 357 CB HIS A 45 0.759 -15.138 -1.276 1.00 0.00 C ATOM 358 CG HIS A 45 -0.483 -14.702 -2.061 1.00 0.00 C ATOM 359 ND1 HIS A 45 -0.584 -14.688 -3.388 1.00 0.00 N ATOM 360 CD2 HIS A 45 -1.690 -14.434 -1.570 1.00 0.00 C ATOM 361 CE1 HIS A 45 -1.851 -14.447 -3.718 1.00 0.00 C ATOM 362 NE2 HIS A 45 -2.524 -14.276 -2.594 1.00 0.00 N ATOM 0 H HIS A 45 0.037 -12.726 -0.080 1.00 0.00 H new ATOM 0 HA HIS A 45 2.506 -14.385 -0.213 1.00 0.00 H new ATOM 0 HB2 HIS A 45 1.392 -15.736 -1.931 1.00 0.00 H new ATOM 0 HB3 HIS A 45 0.444 -15.786 -0.458 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.947 -14.358 -0.524 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -2.254 -14.400 -4.719 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -3.518 -14.059 -2.523 1.00 0.00 H new ATOM 363 N ARG A 46 3.208 -12.295 -1.271 1.00 0.00 N ATOM 364 CA ARG A 46 4.568 -12.852 -1.152 1.00 0.00 C ATOM 365 C ARG A 46 4.794 -13.215 0.328 1.00 0.00 C ATOM 366 O ARG A 46 4.685 -14.370 0.716 1.00 0.00 O ATOM 367 CB ARG A 46 5.688 -11.908 -1.626 1.00 0.00 C ATOM 368 CG ARG A 46 5.467 -11.242 -2.996 1.00 0.00 C ATOM 369 CD ARG A 46 6.743 -10.524 -3.441 1.00 0.00 C ATOM 370 NE ARG A 46 6.508 -9.779 -4.690 1.00 0.00 N ATOM 371 CZ ARG A 46 7.142 -9.950 -5.848 1.00 0.00 C ATOM 372 NH1 ARG A 46 8.099 -10.852 -6.030 1.00 0.00 N ATOM 373 NH2 ARG A 46 6.814 -9.180 -6.884 1.00 0.00 N ATOM 0 H ARG A 46 3.119 -11.327 -0.963 1.00 0.00 H new ATOM 0 HA ARG A 46 4.623 -13.720 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.818 -11.125 -0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.621 -12.471 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.187 -11.994 -3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.642 -10.532 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.074 -9.840 -2.659 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.543 -11.250 -3.589 1.00 0.00 H new ATOM 0 HE ARG A 46 5.786 -9.059 -4.665 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.382 -11.458 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.551 -10.939 -6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.087 -8.472 -6.783 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.290 -9.298 -7.778 1.00 0.00 H new ATOM 374 N ASP A 47 5.186 -12.219 1.130 1.00 0.00 N ATOM 375 CA ASP A 47 5.133 -12.256 2.591 1.00 0.00 C ATOM 376 C ASP A 47 4.625 -10.904 3.133 1.00 0.00 C ATOM 377 O ASP A 47 4.728 -9.876 2.459 1.00 0.00 O ATOM 378 CB ASP A 47 6.464 -12.718 3.203 1.00 0.00 C ATOM 379 CG ASP A 47 7.687 -11.848 2.848 1.00 0.00 C ATOM 380 OD1 ASP A 47 7.518 -10.617 2.897 1.00 0.00 O ATOM 381 OD2 ASP A 47 8.738 -12.442 2.523 1.00 0.00 O ATOM 0 H ASP A 47 5.559 -11.341 0.768 1.00 0.00 H new ATOM 0 HA ASP A 47 4.412 -13.011 2.904 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.358 -12.742 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.659 -13.740 2.879 1.00 0.00 H new ATOM 382 N LYS A 48 4.452 -10.861 4.434 1.00 0.00 N ATOM 383 CA LYS A 48 3.887 -9.702 5.145 1.00 0.00 C ATOM 384 C LYS A 48 4.966 -8.769 5.752 1.00 0.00 C ATOM 385 O LYS A 48 4.682 -7.842 6.505 1.00 0.00 O ATOM 386 CB LYS A 48 2.845 -10.146 6.185 1.00 0.00 C ATOM 387 CG LYS A 48 3.253 -11.351 7.055 1.00 0.00 C ATOM 388 CD LYS A 48 2.293 -12.519 6.835 1.00 0.00 C ATOM 389 CE LYS A 48 2.714 -13.397 5.645 1.00 0.00 C ATOM 390 NZ LYS A 48 1.585 -14.208 5.177 1.00 0.00 N ATOM 0 H LYS A 48 4.699 -11.635 5.051 1.00 0.00 H new ATOM 0 HA LYS A 48 3.374 -9.097 4.398 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.628 -9.303 6.841 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.919 -10.392 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.270 -11.657 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.252 -11.065 8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.251 -13.128 7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.288 -12.134 6.663 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.078 -12.768 4.833 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.538 -14.047 5.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.539 -14.173 4.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.714 -15.193 5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.700 -13.834 5.575 1.00 0.00 H new ATOM 391 N ASN A 49 6.183 -8.962 5.255 1.00 0.00 N ATOM 392 CA ASN A 49 7.366 -8.083 5.439 1.00 0.00 C ATOM 393 C ASN A 49 7.969 -7.670 4.083 1.00 0.00 C ATOM 394 O ASN A 49 9.124 -7.257 4.009 1.00 0.00 O ATOM 395 CB ASN A 49 8.399 -8.838 6.294 1.00 0.00 C ATOM 396 CG ASN A 49 8.894 -10.132 5.622 1.00 0.00 C ATOM 397 OD1 ASN A 49 8.236 -11.162 5.627 1.00 0.00 O ATOM 398 ND2 ASN A 49 9.940 -10.020 4.834 1.00 0.00 N ATOM 0 H ASN A 49 6.398 -9.776 4.679 1.00 0.00 H new ATOM 0 HA ASN A 49 7.066 -7.165 5.945 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.250 -8.186 6.488 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.957 -9.081 7.260 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.205 -10.794 4.224 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.487 -9.159 4.832 1.00 0.00 H new ATOM 399 N CYS A 50 7.099 -7.607 3.063 1.00 0.00 N ATOM 400 CA CYS A 50 7.420 -7.743 1.613 1.00 0.00 C ATOM 401 C CYS A 50 8.741 -7.074 1.262 1.00 0.00 C ATOM 402 O CYS A 50 9.690 -7.821 1.033 1.00 0.00 O ATOM 403 CB CYS A 50 6.126 -7.395 0.861 1.00 0.00 C ATOM 404 SG CYS A 50 5.779 -8.450 -0.592 1.00 0.00 S ATOM 0 H CYS A 50 6.103 -7.453 3.222 1.00 0.00 H new ATOM 0 HA CYS A 50 7.672 -8.749 1.278 1.00 0.00 H new ATOM 0 HB2 CYS A 50 5.288 -7.468 1.554 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.180 -6.356 0.534 1.00 0.00 H new ATOM 0 HG CYS A 50 6.322 -7.924 -1.650 1.00 0.00 H new ATOM 405 N VAL A 51 8.767 -5.776 0.970 1.00 0.00 N ATOM 406 CA VAL A 51 9.620 -4.794 1.707 1.00 0.00 C ATOM 407 C VAL A 51 8.859 -3.608 2.319 1.00 0.00 C ATOM 408 O VAL A 51 8.160 -3.871 3.298 1.00 0.00 O ATOM 409 CB VAL A 51 10.993 -4.558 1.056 1.00 0.00 C ATOM 410 CG1 VAL A 51 11.866 -3.913 2.107 1.00 0.00 C ATOM 411 CG2 VAL A 51 11.808 -5.791 0.740 1.00 0.00 C ATOM 0 H VAL A 51 8.209 -5.359 0.225 1.00 0.00 H new ATOM 0 HA VAL A 51 9.930 -5.275 2.635 1.00 0.00 H new ATOM 0 HB VAL A 51 10.767 -4.012 0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.856 -3.724 1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.419 -2.970 2.423 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.953 -4.578 2.966 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.753 -5.496 0.285 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.005 -6.343 1.659 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.255 -6.425 0.048 1.00 0.00 H new ATOM 412 N ILE A 52 8.903 -2.316 1.979 1.00 0.00 N ATOM 413 CA ILE A 52 9.436 -1.487 0.850 1.00 0.00 C ATOM 414 C ILE A 52 10.025 -0.206 1.499 1.00 0.00 C ATOM 415 O ILE A 52 9.389 0.412 2.358 1.00 0.00 O ATOM 416 CB ILE A 52 8.433 -1.056 -0.203 1.00 0.00 C ATOM 417 CG1 ILE A 52 7.313 -2.062 -0.525 1.00 0.00 C ATOM 418 CG2 ILE A 52 9.258 -0.726 -1.448 1.00 0.00 C ATOM 419 CD1 ILE A 52 7.807 -3.408 -1.057 1.00 0.00 C ATOM 0 H ILE A 52 8.466 -1.671 2.637 1.00 0.00 H new ATOM 0 HA ILE A 52 10.151 -2.111 0.314 1.00 0.00 H new ATOM 0 HB ILE A 52 7.875 -0.204 0.185 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.726 -2.235 0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.643 -1.618 -1.261 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.593 -0.406 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 52 9.960 0.075 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.809 -1.611 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.953 -4.055 -1.257 1.00 0.00 H new ATOM 0 HD12 ILE A 52 8.368 -3.251 -1.978 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.452 -3.878 -0.315 1.00 0.00 H new ATOM 420 N ASN A 53 11.263 0.106 1.118 1.00 0.00 N ATOM 421 CA ASN A 53 11.784 1.483 1.070 1.00 0.00 C ATOM 422 C ASN A 53 12.212 1.710 -0.399 1.00 0.00 C ATOM 423 O ASN A 53 11.351 1.537 -1.264 1.00 0.00 O ATOM 424 CB ASN A 53 12.878 1.764 2.112 1.00 0.00 C ATOM 425 CG ASN A 53 14.242 1.103 1.877 1.00 0.00 C ATOM 426 OD1 ASN A 53 14.380 -0.063 1.555 1.00 0.00 O ATOM 427 ND2 ASN A 53 15.261 1.936 1.852 1.00 0.00 N ATOM 0 H ASN A 53 11.946 -0.595 0.829 1.00 0.00 H new ATOM 0 HA ASN A 53 11.023 2.209 1.357 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.028 2.842 2.165 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.509 1.445 3.087 1.00 0.00 H new ATOM 0 HD21 ASN A 53 16.181 1.607 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.130 2.910 2.125 1.00 0.00 H new ATOM 428 N LYS A 54 13.419 2.180 -0.708 1.00 0.00 N ATOM 429 CA LYS A 54 13.975 2.028 -2.074 1.00 0.00 C ATOM 430 C LYS A 54 15.388 1.413 -2.193 1.00 0.00 C ATOM 431 O LYS A 54 16.399 2.097 -2.333 1.00 0.00 O ATOM 432 CB LYS A 54 13.751 3.254 -2.956 1.00 0.00 C ATOM 433 CG LYS A 54 14.439 4.542 -2.468 1.00 0.00 C ATOM 434 CD LYS A 54 14.325 5.634 -3.533 1.00 0.00 C ATOM 435 CE LYS A 54 15.196 6.840 -3.170 1.00 0.00 C ATOM 436 NZ LYS A 54 15.026 7.863 -4.203 1.00 0.00 N ATOM 0 H LYS A 54 14.031 2.664 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 54 13.359 1.232 -2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 54 14.106 3.029 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.679 3.438 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.979 4.880 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.488 4.343 -2.251 1.00 0.00 H new ATOM 0 HD2 LYS A 54 14.630 5.237 -4.501 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.285 5.947 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 54 14.909 7.235 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.243 6.544 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 15.612 8.691 -3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.318 7.478 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.027 8.148 -4.248 1.00 0.00 H new ATOM 437 N VAL A 55 15.412 0.150 -1.785 1.00 0.00 N ATOM 438 CA VAL A 55 16.485 -0.843 -2.028 1.00 0.00 C ATOM 439 C VAL A 55 15.917 -2.076 -2.794 1.00 0.00 C ATOM 440 O VAL A 55 16.642 -2.908 -3.339 1.00 0.00 O ATOM 441 CB VAL A 55 16.957 -1.239 -0.605 1.00 0.00 C ATOM 442 CG1 VAL A 55 17.851 -2.471 -0.582 1.00 0.00 C ATOM 443 CG2 VAL A 55 17.634 -0.089 0.149 1.00 0.00 C ATOM 0 H VAL A 55 14.644 -0.245 -1.243 1.00 0.00 H new ATOM 0 HA VAL A 55 17.298 -0.453 -2.640 1.00 0.00 H new ATOM 0 HB VAL A 55 16.034 -1.489 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 55 18.143 -2.690 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 55 17.308 -3.322 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 55 18.743 -2.285 -1.181 1.00 0.00 H new ATOM 0 HG21 VAL A 55 17.940 -0.432 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.510 0.245 -0.407 1.00 0.00 H new ATOM 0 HG23 VAL A 55 16.934 0.740 0.254 1.00 0.00 H new ATOM 444 N THR A 56 14.611 -2.002 -3.003 1.00 0.00 N ATOM 445 CA THR A 56 13.627 -3.022 -2.618 1.00 0.00 C ATOM 446 C THR A 56 12.730 -3.642 -3.710 1.00 0.00 C ATOM 447 O THR A 56 13.066 -3.753 -4.876 1.00 0.00 O ATOM 448 CB THR A 56 12.715 -2.233 -1.680 1.00 0.00 C ATOM 449 OG1 THR A 56 12.380 -0.945 -2.179 1.00 0.00 O ATOM 450 CG2 THR A 56 13.323 -2.174 -0.301 1.00 0.00 C ATOM 0 H THR A 56 14.183 -1.199 -3.464 1.00 0.00 H new ATOM 0 HA THR A 56 14.170 -3.887 -2.238 1.00 0.00 H new ATOM 0 HB THR A 56 11.766 -2.765 -1.617 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.610 -1.017 -2.780 1.00 0.00 H new ATOM 0 HG21 THR A 56 12.667 -1.610 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.447 -3.186 0.086 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.295 -1.684 -0.353 1.00 0.00 H new ATOM 451 N ARG A 57 11.587 -4.084 -3.184 1.00 0.00 N ATOM 452 CA ARG A 57 10.293 -4.349 -3.863 1.00 0.00 C ATOM 453 C ARG A 57 10.344 -5.436 -4.945 1.00 0.00 C ATOM 454 O ARG A 57 10.442 -5.148 -6.134 1.00 0.00 O ATOM 455 CB ARG A 57 9.586 -3.012 -4.056 1.00 0.00 C ATOM 456 CG ARG A 57 10.197 -2.025 -5.062 1.00 0.00 C ATOM 457 CD ARG A 57 9.340 -0.773 -5.181 1.00 0.00 C ATOM 458 NE ARG A 57 10.212 0.361 -5.514 1.00 0.00 N ATOM 459 CZ ARG A 57 10.277 1.534 -4.860 1.00 0.00 C ATOM 460 NH1 ARG A 57 9.466 1.832 -3.856 1.00 0.00 N ATOM 461 NH2 ARG A 57 11.198 2.421 -5.185 1.00 0.00 N ATOM 0 H ARG A 57 11.525 -4.287 -2.186 1.00 0.00 H new ATOM 0 HA ARG A 57 9.581 -4.910 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.561 -3.215 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 57 9.535 -2.516 -3.087 1.00 0.00 H new ATOM 0 HG2 ARG A 57 11.204 -1.753 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.288 -2.503 -6.037 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.581 -0.906 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.814 -0.584 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 57 10.828 0.248 -6.319 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.760 1.160 -3.554 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.547 2.733 -3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 57 11.861 2.217 -5.933 1.00 0.00 H new ATOM 0 HH22 ARG A 57 11.247 3.311 -4.689 1.00 0.00 H new ATOM 462 N ASN A 58 10.061 -6.703 -4.588 1.00 0.00 N ATOM 463 CA ASN A 58 9.461 -7.240 -3.326 1.00 0.00 C ATOM 464 C ASN A 58 8.121 -6.625 -2.899 1.00 0.00 C ATOM 465 O ASN A 58 7.846 -6.402 -1.714 1.00 0.00 O ATOM 466 CB ASN A 58 10.403 -7.262 -2.107 1.00 0.00 C ATOM 467 CG ASN A 58 11.502 -8.321 -2.119 1.00 0.00 C ATOM 468 OD1 ASN A 58 12.189 -8.561 -3.103 1.00 0.00 O ATOM 469 ND2 ASN A 58 11.682 -8.946 -0.973 1.00 0.00 N ATOM 0 H ASN A 58 10.264 -7.465 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 58 9.269 -8.267 -3.638 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.873 -6.282 -2.021 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.799 -7.406 -1.211 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.412 -9.654 -0.887 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.092 -8.722 -0.172 1.00 0.00 H new ATOM 470 N ARG A 59 7.304 -6.286 -3.885 1.00 0.00 N ATOM 471 CA ARG A 59 6.031 -5.620 -3.641 1.00 0.00 C ATOM 472 C ARG A 59 4.883 -6.551 -4.094 1.00 0.00 C ATOM 473 O ARG A 59 4.993 -7.299 -5.070 1.00 0.00 O ATOM 474 CB ARG A 59 5.945 -4.282 -4.355 1.00 0.00 C ATOM 475 CG ARG A 59 4.605 -3.521 -4.315 1.00 0.00 C ATOM 476 CD ARG A 59 4.258 -3.101 -2.890 1.00 0.00 C ATOM 477 NE ARG A 59 2.853 -2.692 -2.777 1.00 0.00 N ATOM 478 CZ ARG A 59 2.418 -1.464 -2.483 1.00 0.00 C ATOM 479 NH1 ARG A 59 3.235 -0.429 -2.331 1.00 0.00 N ATOM 480 NH2 ARG A 59 1.148 -1.266 -2.192 1.00 0.00 N ATOM 0 H ARG A 59 7.501 -6.463 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 59 5.946 -5.415 -2.574 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.711 -3.630 -3.935 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.204 -4.445 -5.401 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.664 -2.640 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 59 3.812 -4.152 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.453 -3.929 -2.208 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.904 -2.277 -2.585 1.00 0.00 H new ATOM 0 HE ARG A 59 2.146 -3.409 -2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.242 -0.554 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.856 0.491 -2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 59 0.497 -2.051 -2.191 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.816 -0.328 -1.968 1.00 0.00 H new ATOM 481 N CYS A 60 3.810 -6.453 -3.334 1.00 0.00 N ATOM 482 CA CYS A 60 2.660 -7.375 -3.405 1.00 0.00 C ATOM 483 C CYS A 60 1.399 -6.695 -2.827 1.00 0.00 C ATOM 484 O CYS A 60 1.471 -5.541 -2.384 1.00 0.00 O ATOM 485 CB CYS A 60 3.035 -8.547 -2.517 1.00 0.00 C ATOM 486 SG CYS A 60 1.871 -9.941 -2.482 1.00 0.00 S ATOM 0 H CYS A 60 3.697 -5.722 -2.632 1.00 0.00 H new ATOM 0 HA CYS A 60 2.446 -7.673 -4.431 1.00 0.00 H new ATOM 0 HB2 CYS A 60 4.007 -8.922 -2.839 1.00 0.00 H new ATOM 0 HB3 CYS A 60 3.157 -8.178 -1.498 1.00 0.00 H new ATOM 0 HG CYS A 60 1.596 -10.246 -1.249 1.00 0.00 H new ATOM 487 N GLN A 61 0.335 -7.478 -2.714 1.00 0.00 N ATOM 488 CA GLN A 61 -0.932 -7.050 -2.084 1.00 0.00 C ATOM 489 C GLN A 61 -0.964 -6.852 -0.574 1.00 0.00 C ATOM 490 O GLN A 61 -0.431 -5.858 -0.100 1.00 0.00 O ATOM 491 CB GLN A 61 -2.186 -7.783 -2.572 1.00 0.00 C ATOM 492 CG GLN A 61 -2.016 -9.117 -3.328 1.00 0.00 C ATOM 493 CD GLN A 61 -1.452 -10.298 -2.522 1.00 0.00 C ATOM 494 OE1 GLN A 61 -1.122 -10.256 -1.332 1.00 0.00 O ATOM 495 NE2 GLN A 61 -1.303 -11.399 -3.213 1.00 0.00 N ATOM 0 H GLN A 61 0.314 -8.439 -3.056 1.00 0.00 H new ATOM 0 HA GLN A 61 -0.960 -6.034 -2.477 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -2.817 -7.973 -1.704 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.735 -7.102 -3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.988 -9.409 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.361 -8.944 -4.182 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.578 -11.426 -4.195 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.912 -12.230 -2.770 1.00 0.00 H new ATOM 496 N TYR A 62 -1.374 -7.885 0.150 1.00 0.00 N ATOM 497 CA TYR A 62 -1.798 -7.779 1.568 1.00 0.00 C ATOM 498 C TYR A 62 -0.832 -7.035 2.470 1.00 0.00 C ATOM 499 O TYR A 62 -1.132 -5.935 2.915 1.00 0.00 O ATOM 500 CB TYR A 62 -2.060 -9.216 2.084 1.00 0.00 C ATOM 501 CG TYR A 62 -2.506 -9.345 3.553 1.00 0.00 C ATOM 502 CD1 TYR A 62 -1.556 -9.292 4.595 1.00 0.00 C ATOM 503 CD2 TYR A 62 -3.860 -9.680 3.811 1.00 0.00 C ATOM 504 CE1 TYR A 62 -1.956 -9.563 5.914 1.00 0.00 C ATOM 505 CE2 TYR A 62 -4.259 -9.951 5.131 1.00 0.00 C ATOM 506 CZ TYR A 62 -3.299 -9.895 6.163 1.00 0.00 C ATOM 507 OH TYR A 62 -3.671 -10.242 7.423 1.00 0.00 O ATOM 0 H TYR A 62 -1.428 -8.834 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 62 -2.701 -7.170 1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -2.824 -9.671 1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -1.148 -9.798 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.527 -9.044 4.380 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -4.575 -9.726 3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.243 -9.517 6.724 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.287 -10.199 5.352 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.630 -10.443 7.437 1.00 0.00 H new ATOM 508 N CYS A 63 0.426 -7.413 2.273 1.00 0.00 N ATOM 509 CA CYS A 63 1.588 -6.780 2.910 1.00 0.00 C ATOM 510 C CYS A 63 1.538 -5.255 2.919 1.00 0.00 C ATOM 511 O CYS A 63 1.304 -4.646 3.959 1.00 0.00 O ATOM 512 CB CYS A 63 2.801 -7.275 2.092 1.00 0.00 C ATOM 513 SG CYS A 63 2.626 -6.970 0.293 1.00 0.00 S ATOM 0 H CYS A 63 0.678 -8.184 1.654 1.00 0.00 H new ATOM 0 HA CYS A 63 1.631 -7.053 3.964 1.00 0.00 H new ATOM 0 HB2 CYS A 63 3.702 -6.779 2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.935 -8.343 2.262 1.00 0.00 H new ATOM 0 HG CYS A 63 1.753 -7.795 -0.204 1.00 0.00 H new ATOM 514 N ARG A 64 1.498 -4.662 1.726 1.00 0.00 N ATOM 515 CA ARG A 64 1.532 -3.196 1.591 1.00 0.00 C ATOM 516 C ARG A 64 0.194 -2.591 1.143 1.00 0.00 C ATOM 517 O ARG A 64 0.086 -1.363 1.128 1.00 0.00 O ATOM 518 CB ARG A 64 2.709 -2.745 0.726 1.00 0.00 C ATOM 519 CG ARG A 64 4.041 -3.508 0.877 1.00 0.00 C ATOM 520 CD ARG A 64 4.843 -3.332 2.178 1.00 0.00 C ATOM 521 NE ARG A 64 4.173 -3.982 3.329 1.00 0.00 N ATOM 522 CZ ARG A 64 4.674 -4.858 4.198 1.00 0.00 C ATOM 523 NH1 ARG A 64 5.926 -5.249 4.201 1.00 0.00 N ATOM 524 NH2 ARG A 64 3.917 -5.293 5.196 1.00 0.00 N ATOM 0 H ARG A 64 1.442 -5.166 0.841 1.00 0.00 H new ATOM 0 HA ARG A 64 1.695 -2.796 2.592 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.402 -2.808 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 64 2.899 -1.693 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.830 -4.571 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.686 -3.217 0.048 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.839 -3.755 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.972 -2.270 2.385 1.00 0.00 H new ATOM 0 HE ARG A 64 3.197 -3.724 3.475 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.578 -4.878 3.510 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.248 -5.924 4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 64 2.959 -4.957 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.293 -5.964 5.866 1.00 0.00 H new ATOM 525 N LEU A 65 -0.870 -3.405 1.054 1.00 0.00 N ATOM 526 CA LEU A 65 -2.225 -2.908 1.345 1.00 0.00 C ATOM 527 C LEU A 65 -2.208 -2.415 2.789 1.00 0.00 C ATOM 528 O LEU A 65 -2.188 -1.213 2.997 1.00 0.00 O ATOM 529 CB LEU A 65 -3.313 -3.999 1.326 1.00 0.00 C ATOM 530 CG LEU A 65 -4.311 -4.139 0.197 1.00 0.00 C ATOM 531 CD1 LEU A 65 -4.873 -2.801 -0.273 1.00 0.00 C ATOM 532 CD2 LEU A 65 -3.779 -4.849 -1.017 1.00 0.00 C ATOM 0 H LEU A 65 -0.822 -4.389 0.789 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.458 -2.162 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.796 -4.955 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.893 -3.875 2.240 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.097 -4.745 0.647 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.582 -2.969 -1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.380 -2.308 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.059 -2.169 -0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -4.559 -4.905 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.925 -4.301 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.467 -5.857 -0.742 1.00 0.00 H new ATOM 533 N GLN A 66 -1.709 -3.313 3.637 1.00 0.00 N ATOM 534 CA GLN A 66 -1.763 -3.236 5.102 1.00 0.00 C ATOM 535 C GLN A 66 -0.702 -2.330 5.757 1.00 0.00 C ATOM 536 O GLN A 66 -1.021 -1.610 6.701 1.00 0.00 O ATOM 537 CB GLN A 66 -1.939 -4.628 5.667 1.00 0.00 C ATOM 538 CG GLN A 66 -3.455 -4.937 5.708 1.00 0.00 C ATOM 539 CD GLN A 66 -4.015 -5.564 4.418 1.00 0.00 C ATOM 540 OE1 GLN A 66 -3.611 -6.624 3.975 1.00 0.00 O ATOM 541 NE2 GLN A 66 -5.051 -4.976 3.839 1.00 0.00 N ATOM 0 H GLN A 66 -1.234 -4.154 3.310 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.651 -2.675 5.393 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.417 -5.359 5.049 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.510 -4.691 6.667 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -3.653 -5.612 6.540 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.996 -4.013 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.400 -4.088 4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -5.500 -5.411 3.033 1.00 0.00 H new ATOM 542 N LYS A 67 0.490 -2.259 5.174 1.00 0.00 N ATOM 543 CA LYS A 67 1.469 -1.220 5.563 1.00 0.00 C ATOM 544 C LYS A 67 1.131 0.192 5.048 1.00 0.00 C ATOM 545 O LYS A 67 1.228 1.135 5.819 1.00 0.00 O ATOM 546 CB LYS A 67 2.906 -1.651 5.211 1.00 0.00 C ATOM 547 CG LYS A 67 3.967 -0.724 5.806 1.00 0.00 C ATOM 548 CD LYS A 67 5.405 -1.176 5.504 1.00 0.00 C ATOM 549 CE LYS A 67 5.866 -2.324 6.401 1.00 0.00 C ATOM 550 NZ LYS A 67 7.179 -2.801 5.965 1.00 0.00 N ATOM 0 H LYS A 67 0.809 -2.892 4.441 1.00 0.00 H new ATOM 0 HA LYS A 67 1.401 -1.134 6.648 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.074 -2.666 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.018 -1.675 4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.820 0.283 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.829 -0.671 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 67 5.472 -1.486 4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 67 6.081 -0.330 5.629 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.917 -1.989 7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.143 -3.139 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.464 -3.615 6.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.130 -3.090 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.878 -2.038 6.071 1.00 0.00 H new ATOM 551 N CYS A 68 0.611 0.314 3.833 1.00 0.00 N ATOM 552 CA CYS A 68 0.038 1.607 3.391 1.00 0.00 C ATOM 553 C CYS A 68 -1.248 1.967 4.178 1.00 0.00 C ATOM 554 O CYS A 68 -1.411 3.106 4.607 1.00 0.00 O ATOM 555 CB CYS A 68 -0.151 1.668 1.876 1.00 0.00 C ATOM 556 SG CYS A 68 1.405 1.448 0.929 1.00 0.00 S ATOM 0 H CYS A 68 0.568 -0.436 3.143 1.00 0.00 H new ATOM 0 HA CYS A 68 0.768 2.380 3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -0.861 0.897 1.576 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -0.594 2.629 1.612 1.00 0.00 H new ATOM 0 HG CYS A 68 1.540 0.197 0.601 1.00 0.00 H new ATOM 557 N PHE A 69 -2.027 0.943 4.513 1.00 0.00 N ATOM 558 CA PHE A 69 -3.123 0.962 5.511 1.00 0.00 C ATOM 559 C PHE A 69 -2.823 1.421 6.941 1.00 0.00 C ATOM 560 O PHE A 69 -3.726 1.776 7.686 1.00 0.00 O ATOM 561 CB PHE A 69 -3.839 -0.387 5.641 1.00 0.00 C ATOM 562 CG PHE A 69 -5.027 -0.560 4.714 1.00 0.00 C ATOM 563 CD1 PHE A 69 -6.086 0.375 4.877 1.00 0.00 C ATOM 564 CD2 PHE A 69 -5.194 -1.720 3.899 1.00 0.00 C ATOM 565 CE1 PHE A 69 -7.306 0.172 4.216 1.00 0.00 C ATOM 566 CE2 PHE A 69 -6.412 -1.933 3.259 1.00 0.00 C ATOM 567 CZ PHE A 69 -7.424 -0.964 3.377 1.00 0.00 C ATOM 0 H PHE A 69 -1.916 0.025 4.081 1.00 0.00 H new ATOM 0 HA PHE A 69 -3.737 1.740 5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.122 -1.185 5.446 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.177 -0.507 6.670 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.951 1.240 5.509 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.384 -2.425 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -8.129 0.859 4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.577 -2.830 2.680 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.330 -1.091 2.804 1.00 0.00 H new ATOM 568 N GLU A 70 -1.564 1.292 7.344 1.00 0.00 N ATOM 569 CA GLU A 70 -1.078 1.940 8.578 1.00 0.00 C ATOM 570 C GLU A 70 -1.337 3.458 8.606 1.00 0.00 C ATOM 571 O GLU A 70 -1.458 4.067 9.668 1.00 0.00 O ATOM 572 CB GLU A 70 0.405 1.636 8.727 1.00 0.00 C ATOM 573 CG GLU A 70 0.537 0.155 9.099 1.00 0.00 C ATOM 574 CD GLU A 70 1.981 -0.285 9.381 1.00 0.00 C ATOM 575 OE1 GLU A 70 2.651 0.395 10.192 1.00 0.00 O ATOM 576 OE2 GLU A 70 2.361 -1.330 8.826 1.00 0.00 O ATOM 0 H GLU A 70 -0.858 0.751 6.845 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.637 1.534 9.421 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.935 1.847 7.798 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.850 2.266 9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.073 -0.045 9.980 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.134 -0.451 8.288 1.00 0.00 H new ATOM 577 N VAL A 71 -1.519 3.999 7.408 1.00 0.00 N ATOM 578 CA VAL A 71 -1.944 5.396 7.164 1.00 0.00 C ATOM 579 C VAL A 71 -3.320 5.325 6.442 1.00 0.00 C ATOM 580 O VAL A 71 -3.431 5.710 5.286 1.00 0.00 O ATOM 581 CB VAL A 71 -0.821 6.082 6.371 1.00 0.00 C ATOM 582 CG1 VAL A 71 -1.132 7.574 6.173 1.00 0.00 C ATOM 583 CG2 VAL A 71 0.537 6.012 7.058 1.00 0.00 C ATOM 0 H VAL A 71 -1.374 3.473 6.546 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.091 5.994 8.063 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.774 5.542 5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.325 8.042 5.609 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.068 7.681 5.624 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.224 8.059 7.145 1.00 0.00 H new ATOM 0 HG21 VAL A 71 1.282 6.516 6.443 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.478 6.501 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.823 4.969 7.193 1.00 0.00 H new ATOM 584 N GLY A 72 -4.208 4.509 7.044 1.00 0.00 N ATOM 585 CA GLY A 72 -5.623 4.209 6.703 1.00 0.00 C ATOM 586 C GLY A 72 -6.259 5.057 5.609 1.00 0.00 C ATOM 587 O GLY A 72 -7.177 5.856 5.792 1.00 0.00 O ATOM 0 H GLY A 72 -3.926 3.984 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.686 3.163 6.402 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.221 4.317 7.608 1.00 0.00 H new ATOM 588 N MET A 73 -5.862 4.579 4.458 1.00 0.00 N ATOM 589 CA MET A 73 -6.215 5.103 3.141 1.00 0.00 C ATOM 590 C MET A 73 -7.616 4.546 2.865 1.00 0.00 C ATOM 591 O MET A 73 -7.886 3.377 3.136 1.00 0.00 O ATOM 592 CB MET A 73 -5.300 4.460 2.078 1.00 0.00 C ATOM 593 CG MET A 73 -4.031 3.751 2.566 1.00 0.00 C ATOM 594 SD MET A 73 -2.449 4.163 1.740 1.00 0.00 S ATOM 595 CE MET A 73 -2.744 3.757 0.030 1.00 0.00 C ATOM 0 H MET A 73 -5.248 3.767 4.399 1.00 0.00 H new ATOM 0 HA MET A 73 -6.139 6.190 3.110 1.00 0.00 H new ATOM 0 HB2 MET A 73 -5.893 3.738 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 73 -5.001 5.239 1.377 1.00 0.00 H new ATOM 0 HG2 MET A 73 -3.918 3.962 3.629 1.00 0.00 H new ATOM 0 HG3 MET A 73 -4.189 2.677 2.469 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.940 4.162 -0.584 1.00 0.00 H new ATOM 0 HE2 MET A 73 -2.779 2.674 -0.086 1.00 0.00 H new ATOM 0 HE3 MET A 73 -3.694 4.187 -0.287 1.00 0.00 H new ATOM 596 N SER A 74 -8.420 5.325 2.154 1.00 0.00 N ATOM 597 CA SER A 74 -9.765 4.827 1.885 1.00 0.00 C ATOM 598 C SER A 74 -10.120 4.372 0.469 1.00 0.00 C ATOM 599 O SER A 74 -11.049 4.804 -0.205 1.00 0.00 O ATOM 600 CB SER A 74 -10.857 5.762 2.456 1.00 0.00 C ATOM 601 OG SER A 74 -10.509 6.204 3.771 1.00 0.00 O ATOM 0 H SER A 74 -8.190 6.243 1.774 1.00 0.00 H new ATOM 0 HA SER A 74 -9.741 3.882 2.428 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.985 6.623 1.800 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.812 5.238 2.484 1.00 0.00 H new ATOM 0 HG SER A 74 -10.235 5.435 4.313 1.00 0.00 H new ATOM 602 N LYS A 75 -9.353 3.354 0.123 1.00 0.00 N ATOM 603 CA LYS A 75 -9.971 2.065 -0.227 1.00 0.00 C ATOM 604 C LYS A 75 -9.798 1.209 1.022 1.00 0.00 C ATOM 605 O LYS A 75 -8.742 0.689 1.333 1.00 0.00 O ATOM 606 CB LYS A 75 -9.470 1.460 -1.522 1.00 0.00 C ATOM 607 CG LYS A 75 -9.608 2.430 -2.714 1.00 0.00 C ATOM 608 CD LYS A 75 -11.022 2.931 -3.051 1.00 0.00 C ATOM 609 CE LYS A 75 -11.884 1.842 -3.712 1.00 0.00 C ATOM 610 NZ LYS A 75 -13.164 2.371 -4.196 1.00 0.00 N ATOM 0 H LYS A 75 -8.334 3.379 0.074 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.027 2.169 -0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.424 1.176 -1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.027 0.547 -1.733 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.980 3.299 -2.517 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.204 1.938 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.510 3.274 -2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.951 3.790 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.336 1.402 -4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.070 1.042 -2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.922 1.691 -3.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.368 3.274 -3.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.111 2.523 -5.223 1.00 0.00 H new ATOM 611 N GLU A 76 -10.880 1.159 1.777 1.00 0.00 N ATOM 612 CA GLU A 76 -10.816 1.010 3.227 1.00 0.00 C ATOM 613 C GLU A 76 -11.376 -0.388 3.593 1.00 0.00 C ATOM 614 O GLU A 76 -10.716 -1.395 3.348 1.00 0.00 O ATOM 615 CB GLU A 76 -11.637 2.189 3.743 1.00 0.00 C ATOM 616 CG GLU A 76 -11.431 2.476 5.239 1.00 0.00 C ATOM 617 CD GLU A 76 -9.995 2.928 5.557 1.00 0.00 C ATOM 618 OE1 GLU A 76 -9.704 4.104 5.268 1.00 0.00 O ATOM 619 OE2 GLU A 76 -9.246 2.081 6.089 1.00 0.00 O ATOM 0 H GLU A 76 -11.829 1.220 1.407 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.821 1.039 3.670 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.376 3.080 3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.694 1.992 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.131 3.248 5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.662 1.579 5.814 1.00 0.00 H new ATOM 620 N SER A 77 -12.657 -0.432 3.957 1.00 0.00 N ATOM 621 CA SER A 77 -13.487 -1.647 3.909 1.00 0.00 C ATOM 622 C SER A 77 -14.455 -1.403 2.744 1.00 0.00 C ATOM 623 O SER A 77 -15.594 -0.939 2.865 1.00 0.00 O ATOM 624 CB SER A 77 -14.217 -1.794 5.250 1.00 0.00 C ATOM 625 OG SER A 77 -14.946 -0.588 5.524 1.00 0.00 O ATOM 0 H SER A 77 -13.161 0.386 4.300 1.00 0.00 H new ATOM 0 HA SER A 77 -12.924 -2.568 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.897 -2.645 5.216 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.501 -1.990 6.048 1.00 0.00 H new ATOM 0 HG SER A 77 -15.488 -0.349 4.743 1.00 0.00 H new ATOM 626 N VAL A 78 -13.839 -1.549 1.585 1.00 0.00 N ATOM 627 CA VAL A 78 -14.304 -1.016 0.317 1.00 0.00 C ATOM 628 C VAL A 78 -14.752 -2.069 -0.683 1.00 0.00 C ATOM 629 O VAL A 78 -14.194 -3.157 -0.749 1.00 0.00 O ATOM 630 CB VAL A 78 -13.187 -0.093 -0.168 1.00 0.00 C ATOM 631 CG1 VAL A 78 -12.356 -0.499 -1.374 1.00 0.00 C ATOM 632 CG2 VAL A 78 -13.479 1.394 -0.053 1.00 0.00 C ATOM 0 H VAL A 78 -12.963 -2.065 1.498 1.00 0.00 H new ATOM 0 HA VAL A 78 -15.231 -0.457 0.442 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.454 -0.302 0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.611 0.270 -1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.854 -1.444 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -13.006 -0.614 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.625 1.962 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.361 1.638 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.660 1.650 0.991 1.00 0.00 H new ATOM 633 N ARG A 79 -15.894 -1.792 -1.301 1.00 0.00 N ATOM 634 CA ARG A 79 -16.832 -0.677 -0.990 1.00 0.00 C ATOM 635 C ARG A 79 -18.150 -1.221 -0.414 1.00 0.00 C ATOM 636 O ARG A 79 -19.227 -0.634 -0.514 1.00 0.00 O ATOM 637 CB ARG A 79 -17.128 0.113 -2.274 1.00 0.00 C ATOM 638 CG ARG A 79 -16.012 1.088 -2.607 1.00 0.00 C ATOM 639 CD ARG A 79 -16.412 2.149 -3.641 1.00 0.00 C ATOM 640 NE ARG A 79 -16.375 1.620 -5.010 1.00 0.00 N ATOM 641 CZ ARG A 79 -17.134 1.996 -6.040 1.00 0.00 C ATOM 642 NH1 ARG A 79 -18.046 2.952 -5.942 1.00 0.00 N ATOM 643 NH2 ARG A 79 -17.027 1.361 -7.194 1.00 0.00 N ATOM 0 H ARG A 79 -16.225 -2.361 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 79 -16.367 -0.027 -0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -17.264 -0.580 -3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -18.064 0.659 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -15.691 1.587 -1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -15.154 0.531 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.415 2.512 -3.419 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -15.739 3.003 -3.564 1.00 0.00 H new ATOM 0 HE ARG A 79 -15.694 0.884 -5.194 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -18.189 3.431 -5.053 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -18.605 3.209 -6.755 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -16.367 0.589 -7.292 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -17.604 1.643 -7.987 1.00 0.00 H new ATOM 644 N ASN A 80 -17.946 -2.244 0.401 1.00 0.00 N ATOM 645 CA ASN A 80 -18.952 -3.291 0.683 1.00 0.00 C ATOM 646 C ASN A 80 -19.223 -3.567 2.176 1.00 0.00 C ATOM 647 O ASN A 80 -20.288 -4.153 2.455 1.00 0.00 O ATOM 648 CB ASN A 80 -18.483 -4.530 -0.101 1.00 0.00 C ATOM 649 CG ASN A 80 -17.026 -4.945 0.193 1.00 0.00 C ATOM 650 OD1 ASN A 80 -16.481 -4.728 1.259 1.00 0.00 O ATOM 651 ND2 ASN A 80 -16.335 -5.402 -0.827 1.00 0.00 N ATOM 652 OXT ASN A 80 -18.386 -3.151 3.005 1.00 0.00 O ATOM 0 H ASN A 80 -17.067 -2.385 0.900 1.00 0.00 H new ATOM 0 HA ASN A 80 -19.936 -2.955 0.357 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -19.142 -5.366 0.133 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -18.585 -4.332 -1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -15.335 -5.577 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.799 -5.582 -1.718 1.00 0.00 H new