USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 5 ASN : amide:sc= 0.21 K(o=0.52,f=-10!) USER MOD Set 1.2: A 13 THR OG1 : rot 63:sc= 0.31 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -3.21 K(o=-3.2,f=-5.7!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 7 GLN : amide:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 8 SER OG : rot -40:sc= 1.06 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -70:sc= 0.477 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 23 ASN : amide:sc= -0.0257 X(o=-0.026,f=-0.35) USER MOD Single : A 25 TYR OH : rot 92:sc= 0.0386 USER MOD Single : A 26 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.47) USER MOD Single : A 27 LYS NZ :NH3+ -148:sc= 1.24 (180deg=-0.163) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 8:sc= 1.18 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.39 K(o=-2.4,f=-9.8!) USER MOD Single : A 56 THR OG1 : rot -62:sc= 0.608 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.365 USER MOD Single : A 61 ASN : amide:sc= -7.21! C(o=-7.2!,f=-19!) USER MOD Single : A 62 ASN : amide:sc= -0.701 K(o=-0.7,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.430 13.362 0.889 1.00 0.00 N ATOM 2 CA LEU A 1 0.915 12.236 0.067 1.00 0.00 C ATOM 3 C LEU A 1 -0.428 11.740 0.591 1.00 0.00 C ATOM 4 O LEU A 1 -0.573 11.445 1.777 1.00 0.00 O ATOM 5 CB LEU A 1 1.944 11.103 0.095 1.00 0.00 C ATOM 6 CG LEU A 1 2.128 10.362 -1.231 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.023 11.159 -2.167 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.704 8.976 -0.989 1.00 0.00 C ATOM 0 H1 LEU A 1 2.345 13.679 0.509 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.752 14.150 0.862 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.554 13.046 1.872 1.00 0.00 H new ATOM 0 HA LEU A 1 0.761 12.580 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 1 2.906 11.514 0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.648 10.383 0.858 1.00 0.00 H new ATOM 0 HG LEU A 1 1.152 10.251 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.143 10.617 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.570 12.130 -2.365 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.999 11.302 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.829 8.462 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.672 9.065 -0.496 1.00 0.00 H new ATOM 0 HD23 LEU A 1 2.025 8.405 -0.355 1.00 0.00 H new ATOM 22 N GLU A 2 -1.408 11.649 -0.302 1.00 0.00 N ATOM 23 CA GLU A 2 -2.741 11.188 0.069 1.00 0.00 C ATOM 24 C GLU A 2 -3.125 9.941 -0.721 1.00 0.00 C ATOM 25 O GLU A 2 -3.709 10.034 -1.800 1.00 0.00 O ATOM 26 CB GLU A 2 -3.771 12.293 -0.169 1.00 0.00 C ATOM 27 CG GLU A 2 -3.451 13.590 0.556 1.00 0.00 C ATOM 28 CD GLU A 2 -4.611 14.565 0.548 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.759 14.120 0.336 1.00 0.00 O ATOM 30 OE2 GLU A 2 -4.372 15.774 0.753 1.00 0.00 O ATOM 0 H GLU A 2 -1.304 11.888 -1.288 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.728 10.935 1.129 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.838 12.491 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.751 11.940 0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.176 13.367 1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.585 14.058 0.089 1.00 0.00 H new ATOM 37 N CYS A 3 -2.794 8.775 -0.176 1.00 0.00 N ATOM 38 CA CYS A 3 -3.104 7.510 -0.830 1.00 0.00 C ATOM 39 C CYS A 3 -4.421 6.938 -0.316 1.00 0.00 C ATOM 40 O CYS A 3 -5.131 7.584 0.455 1.00 0.00 O ATOM 41 CB CYS A 3 -1.977 6.500 -0.603 1.00 0.00 C ATOM 42 SG CYS A 3 -0.317 7.133 -1.001 1.00 0.00 S ATOM 0 H CYS A 3 -2.311 8.680 0.717 1.00 0.00 H new ATOM 0 HA CYS A 3 -3.202 7.701 -1.899 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.993 6.183 0.440 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.171 5.614 -1.208 1.00 0.00 H new ATOM 47 N HIS A 4 -4.740 5.723 -0.749 1.00 0.00 N ATOM 48 CA HIS A 4 -5.966 5.060 -0.337 1.00 0.00 C ATOM 49 C HIS A 4 -5.770 4.334 0.990 1.00 0.00 C ATOM 50 O HIS A 4 -4.717 3.747 1.237 1.00 0.00 O ATOM 51 CB HIS A 4 -6.405 4.072 -1.414 1.00 0.00 C ATOM 52 CG HIS A 4 -6.988 4.728 -2.627 1.00 0.00 C ATOM 53 ND1 HIS A 4 -8.282 5.200 -2.680 1.00 0.00 N ATOM 54 CD2 HIS A 4 -6.443 4.993 -3.839 1.00 0.00 C ATOM 55 CE1 HIS A 4 -8.510 5.725 -3.871 1.00 0.00 C ATOM 56 NE2 HIS A 4 -7.409 5.613 -4.592 1.00 0.00 N ATOM 0 H HIS A 4 -4.162 5.178 -1.388 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.740 5.815 -0.202 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.548 3.469 -1.714 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.142 3.390 -0.991 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -5.437 4.760 -4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -9.438 6.170 -4.199 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -7.295 5.935 -5.553 1.00 0.00 H new ATOM 65 N ASN A 5 -6.790 4.379 1.841 1.00 0.00 N ATOM 66 CA ASN A 5 -6.725 3.724 3.143 1.00 0.00 C ATOM 67 C ASN A 5 -7.617 2.487 3.177 1.00 0.00 C ATOM 68 O ASN A 5 -7.291 1.492 3.823 1.00 0.00 O ATOM 69 CB ASN A 5 -7.138 4.695 4.250 1.00 0.00 C ATOM 70 CG ASN A 5 -8.415 5.428 3.933 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.025 5.224 2.883 1.00 0.00 O ATOM 72 ND2 ASN A 5 -8.825 6.292 4.847 1.00 0.00 N ATOM 0 H ASN A 5 -7.669 4.861 1.653 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.694 3.411 3.311 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.262 4.145 5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.339 5.419 4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.682 6.825 4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.284 6.426 5.701 1.00 0.00 H new ATOM 79 N GLN A 6 -8.744 2.557 2.475 1.00 0.00 N ATOM 80 CA GLN A 6 -9.681 1.443 2.425 1.00 0.00 C ATOM 81 C GLN A 6 -9.092 0.272 1.646 1.00 0.00 C ATOM 82 O GLN A 6 -8.252 0.459 0.766 1.00 0.00 O ATOM 83 CB GLN A 6 -10.999 1.885 1.786 1.00 0.00 C ATOM 84 CG GLN A 6 -12.198 1.068 2.239 1.00 0.00 C ATOM 85 CD GLN A 6 -12.728 1.512 3.589 1.00 0.00 C ATOM 86 OE1 GLN A 6 -12.253 1.064 4.633 1.00 0.00 O ATOM 87 NE2 GLN A 6 -13.719 2.396 3.575 1.00 0.00 N ATOM 0 H GLN A 6 -9.029 3.373 1.934 1.00 0.00 H new ATOM 0 HA GLN A 6 -9.873 1.116 3.447 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -11.174 2.934 2.023 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -10.910 1.814 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.991 1.151 1.496 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.918 0.016 2.291 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -14.082 2.741 2.686 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -14.117 2.730 4.453 1.00 0.00 H new ATOM 96 N GLN A 7 -9.538 -0.936 1.976 1.00 0.00 N ATOM 97 CA GLN A 7 -9.055 -2.138 1.307 1.00 0.00 C ATOM 98 C GLN A 7 -10.201 -3.109 1.038 1.00 0.00 C ATOM 99 O GLN A 7 -11.261 -3.020 1.655 1.00 0.00 O ATOM 100 CB GLN A 7 -7.981 -2.822 2.154 1.00 0.00 C ATOM 101 CG GLN A 7 -8.346 -2.932 3.626 1.00 0.00 C ATOM 102 CD GLN A 7 -8.132 -4.327 4.180 1.00 0.00 C ATOM 103 OE1 GLN A 7 -8.839 -5.267 3.816 1.00 0.00 O ATOM 104 NE2 GLN A 7 -7.151 -4.469 5.064 1.00 0.00 N ATOM 0 H GLN A 7 -10.233 -1.108 2.703 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.621 -1.842 0.352 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.799 -3.821 1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.048 -2.267 2.060 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.748 -2.223 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -9.390 -2.649 3.759 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -6.590 -3.662 5.337 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -6.959 -5.385 5.470 1.00 0.00 H new ATOM 113 N SER A 8 -9.979 -4.035 0.110 1.00 0.00 N ATOM 114 CA SER A 8 -10.993 -5.023 -0.242 1.00 0.00 C ATOM 115 C SER A 8 -12.272 -4.343 -0.723 1.00 0.00 C ATOM 116 O SER A 8 -13.372 -4.859 -0.528 1.00 0.00 O ATOM 117 CB SER A 8 -11.297 -5.922 0.958 1.00 0.00 C ATOM 118 OG SER A 8 -12.225 -5.309 1.835 1.00 0.00 O ATOM 0 H SER A 8 -9.107 -4.122 -0.411 1.00 0.00 H new ATOM 0 HA SER A 8 -10.602 -5.635 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.696 -6.875 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.374 -6.140 1.495 1.00 0.00 H new ATOM 0 HG SER A 8 -12.019 -4.354 1.914 1.00 0.00 H new ATOM 124 N SER A 9 -12.118 -3.183 -1.354 1.00 0.00 N ATOM 125 CA SER A 9 -13.259 -2.433 -1.864 1.00 0.00 C ATOM 126 C SER A 9 -12.981 -1.912 -3.271 1.00 0.00 C ATOM 127 O SER A 9 -11.827 -1.810 -3.687 1.00 0.00 O ATOM 128 CB SER A 9 -13.587 -1.265 -0.931 1.00 0.00 C ATOM 129 OG SER A 9 -14.840 -0.689 -1.257 1.00 0.00 O ATOM 0 H SER A 9 -11.214 -2.743 -1.524 1.00 0.00 H new ATOM 0 HA SER A 9 -14.115 -3.106 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.601 -1.613 0.102 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.806 -0.508 -1.002 1.00 0.00 H new ATOM 0 HG SER A 9 -15.028 0.054 -0.646 1.00 0.00 H new ATOM 135 N GLN A 10 -14.045 -1.587 -3.998 1.00 0.00 N ATOM 136 CA GLN A 10 -13.913 -1.078 -5.357 1.00 0.00 C ATOM 137 C GLN A 10 -13.623 0.420 -5.356 1.00 0.00 C ATOM 138 O GLN A 10 -12.664 0.877 -5.976 1.00 0.00 O ATOM 139 CB GLN A 10 -15.188 -1.362 -6.156 1.00 0.00 C ATOM 140 CG GLN A 10 -15.157 -2.691 -6.893 1.00 0.00 C ATOM 141 CD GLN A 10 -15.300 -2.530 -8.395 1.00 0.00 C ATOM 142 OE1 GLN A 10 -14.339 -2.203 -9.090 1.00 0.00 O ATOM 143 NE2 GLN A 10 -16.505 -2.760 -8.903 1.00 0.00 N ATOM 0 H GLN A 10 -15.007 -1.667 -3.669 1.00 0.00 H new ATOM 0 HA GLN A 10 -13.074 -1.590 -5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -16.042 -1.351 -5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -15.342 -0.559 -6.877 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.219 -3.202 -6.674 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -15.961 -3.327 -6.522 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -17.274 -3.029 -8.290 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.661 -2.668 -9.907 1.00 0.00 H new ATOM 152 N THR A 11 -14.462 1.179 -4.656 1.00 0.00 N ATOM 153 CA THR A 11 -14.305 2.615 -4.573 1.00 0.00 C ATOM 154 C THR A 11 -13.769 3.034 -3.205 1.00 0.00 C ATOM 155 O THR A 11 -14.525 3.499 -2.351 1.00 0.00 O ATOM 156 CB THR A 11 -15.636 3.313 -4.852 1.00 0.00 C ATOM 157 OG1 THR A 11 -15.564 4.687 -4.512 1.00 0.00 O ATOM 158 CG2 THR A 11 -16.798 2.712 -4.091 1.00 0.00 C ATOM 0 H THR A 11 -15.261 0.813 -4.137 1.00 0.00 H new ATOM 0 HA THR A 11 -13.580 2.917 -5.329 1.00 0.00 H new ATOM 0 HB THR A 11 -15.813 3.180 -5.919 1.00 0.00 H new ATOM 0 HG1 THR A 11 -15.514 4.781 -3.538 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.712 3.254 -4.335 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.912 1.664 -4.369 1.00 0.00 H new ATOM 0 HG23 THR A 11 -16.608 2.784 -3.020 1.00 0.00 H new ATOM 166 N PRO A 12 -12.454 2.876 -2.979 1.00 0.00 N ATOM 167 CA PRO A 12 -11.823 3.242 -1.706 1.00 0.00 C ATOM 168 C PRO A 12 -11.776 4.752 -1.495 1.00 0.00 C ATOM 169 O PRO A 12 -12.194 5.523 -2.359 1.00 0.00 O ATOM 170 CB PRO A 12 -10.407 2.678 -1.837 1.00 0.00 C ATOM 171 CG PRO A 12 -10.153 2.631 -3.303 1.00 0.00 C ATOM 172 CD PRO A 12 -11.480 2.330 -3.942 1.00 0.00 C ATOM 0 HA PRO A 12 -12.375 2.852 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.680 3.312 -1.329 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.333 1.687 -1.390 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.754 3.580 -3.661 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.419 1.864 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.572 2.804 -4.919 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.620 1.260 -4.092 1.00 0.00 H new ATOM 180 N THR A 13 -11.263 5.168 -0.341 1.00 0.00 N ATOM 181 CA THR A 13 -11.160 6.586 -0.016 1.00 0.00 C ATOM 182 C THR A 13 -9.700 7.001 0.141 1.00 0.00 C ATOM 183 O THR A 13 -8.836 6.173 0.425 1.00 0.00 O ATOM 184 CB THR A 13 -11.931 6.893 1.269 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.954 5.763 2.122 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.365 7.310 1.021 1.00 0.00 C ATOM 0 H THR A 13 -10.912 4.543 0.385 1.00 0.00 H new ATOM 0 HA THR A 13 -11.596 7.156 -0.837 1.00 0.00 H new ATOM 0 HB THR A 13 -11.402 7.726 1.731 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.040 5.542 2.397 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.855 7.513 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.381 8.210 0.406 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.893 6.508 0.505 1.00 0.00 H new ATOM 194 N THR A 14 -9.433 8.290 -0.045 1.00 0.00 N ATOM 195 CA THR A 14 -8.077 8.816 0.075 1.00 0.00 C ATOM 196 C THR A 14 -7.884 9.525 1.412 1.00 0.00 C ATOM 197 O THR A 14 -8.835 10.048 1.991 1.00 0.00 O ATOM 198 CB THR A 14 -7.777 9.779 -1.075 1.00 0.00 C ATOM 199 OG1 THR A 14 -8.587 10.938 -0.981 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.006 9.169 -2.441 1.00 0.00 C ATOM 0 H THR A 14 -10.137 8.990 -0.279 1.00 0.00 H new ATOM 0 HA THR A 14 -7.383 7.977 0.027 1.00 0.00 H new ATOM 0 HB THR A 14 -6.720 10.026 -0.978 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.380 11.543 -1.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.775 9.905 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.360 8.300 -2.564 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.048 8.863 -2.533 1.00 0.00 H new ATOM 208 N THR A 15 -6.645 9.538 1.894 1.00 0.00 N ATOM 209 CA THR A 15 -6.323 10.183 3.162 1.00 0.00 C ATOM 210 C THR A 15 -4.832 10.492 3.253 1.00 0.00 C ATOM 211 O THR A 15 -3.993 9.644 2.947 1.00 0.00 O ATOM 212 CB THR A 15 -6.745 9.294 4.332 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.364 9.874 5.567 1.00 0.00 O ATOM 214 CG2 THR A 15 -6.146 7.905 4.275 1.00 0.00 C ATOM 0 H THR A 15 -5.847 9.109 1.425 1.00 0.00 H new ATOM 0 HA THR A 15 -6.873 11.123 3.213 1.00 0.00 H new ATOM 0 HB THR A 15 -7.829 9.210 4.253 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.645 9.291 6.303 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.486 7.327 5.134 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.462 7.410 3.357 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.059 7.977 4.293 1.00 0.00 H new ATOM 222 N GLY A 16 -4.509 11.712 3.671 1.00 0.00 N ATOM 223 CA GLY A 16 -3.128 12.113 3.789 1.00 0.00 C ATOM 224 C GLY A 16 -2.476 11.599 5.057 1.00 0.00 C ATOM 225 O GLY A 16 -3.077 11.636 6.131 1.00 0.00 O ATOM 0 H GLY A 16 -5.186 12.430 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -2.573 11.747 2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.067 13.201 3.769 1.00 0.00 H new ATOM 229 N CYS A 17 -1.242 11.121 4.933 1.00 0.00 N ATOM 230 CA CYS A 17 -0.506 10.599 6.079 1.00 0.00 C ATOM 231 C CYS A 17 0.307 11.701 6.752 1.00 0.00 C ATOM 232 O CYS A 17 0.407 12.815 6.236 1.00 0.00 O ATOM 233 CB CYS A 17 0.420 9.463 5.642 1.00 0.00 C ATOM 234 SG CYS A 17 -0.455 7.984 5.034 1.00 0.00 S ATOM 0 H CYS A 17 -0.731 11.084 4.051 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.229 10.214 6.798 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.082 9.829 4.857 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.051 9.178 6.484 1.00 0.00 H new ATOM 239 N SER A 18 0.884 11.384 7.907 1.00 0.00 N ATOM 240 CA SER A 18 1.687 12.347 8.650 1.00 0.00 C ATOM 241 C SER A 18 2.933 11.685 9.232 1.00 0.00 C ATOM 242 O SER A 18 3.189 10.505 8.993 1.00 0.00 O ATOM 243 CB SER A 18 0.856 12.977 9.771 1.00 0.00 C ATOM 244 OG SER A 18 0.580 14.339 9.499 1.00 0.00 O ATOM 0 H SER A 18 0.810 10.467 8.348 1.00 0.00 H new ATOM 0 HA SER A 18 2.004 13.128 7.959 1.00 0.00 H new ATOM 0 HB2 SER A 18 -0.079 12.429 9.886 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.392 12.893 10.716 1.00 0.00 H new ATOM 0 HG SER A 18 0.047 14.717 10.229 1.00 0.00 H new ATOM 250 N GLY A 19 3.704 12.452 9.996 1.00 0.00 N ATOM 251 CA GLY A 19 4.912 11.922 10.600 1.00 0.00 C ATOM 252 C GLY A 19 6.117 12.045 9.689 1.00 0.00 C ATOM 253 O GLY A 19 6.902 12.987 9.810 1.00 0.00 O ATOM 0 H GLY A 19 3.513 13.431 10.208 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.110 12.450 11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.758 10.873 10.854 1.00 0.00 H new ATOM 257 N GLY A 20 6.267 11.091 8.777 1.00 0.00 N ATOM 258 CA GLY A 20 7.379 11.109 7.860 1.00 0.00 C ATOM 259 C GLY A 20 7.364 9.933 6.905 1.00 0.00 C ATOM 260 O GLY A 20 8.412 9.377 6.578 1.00 0.00 O ATOM 0 H GLY A 20 5.631 10.302 8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.359 12.037 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.311 11.102 8.425 1.00 0.00 H new ATOM 264 N GLU A 21 6.171 9.551 6.457 1.00 0.00 N ATOM 265 CA GLU A 21 6.025 8.432 5.534 1.00 0.00 C ATOM 266 C GLU A 21 5.507 8.907 4.181 1.00 0.00 C ATOM 267 O GLU A 21 4.328 9.233 4.035 1.00 0.00 O ATOM 268 CB GLU A 21 5.074 7.384 6.116 1.00 0.00 C ATOM 269 CG GLU A 21 5.433 5.957 5.731 1.00 0.00 C ATOM 270 CD GLU A 21 5.426 5.013 6.917 1.00 0.00 C ATOM 271 OE1 GLU A 21 4.347 4.816 7.514 1.00 0.00 O ATOM 272 OE2 GLU A 21 6.501 4.471 7.249 1.00 0.00 O ATOM 0 H GLU A 21 5.293 10.000 6.718 1.00 0.00 H new ATOM 0 HA GLU A 21 7.007 7.982 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.073 7.469 7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.060 7.598 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.727 5.598 4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.420 5.947 5.269 1.00 0.00 H new ATOM 279 N ASN A 22 6.394 8.946 3.192 1.00 0.00 N ATOM 280 CA ASN A 22 6.025 9.382 1.851 1.00 0.00 C ATOM 281 C ASN A 22 5.919 8.194 0.899 1.00 0.00 C ATOM 282 O ASN A 22 6.125 8.332 -0.307 1.00 0.00 O ATOM 283 CB ASN A 22 7.051 10.385 1.319 1.00 0.00 C ATOM 284 CG ASN A 22 7.032 11.692 2.085 1.00 0.00 C ATOM 285 OD1 ASN A 22 5.983 12.315 2.247 1.00 0.00 O ATOM 286 ND2 ASN A 22 8.197 12.118 2.561 1.00 0.00 N ATOM 0 H ASN A 22 7.374 8.681 3.294 1.00 0.00 H new ATOM 0 HA ASN A 22 5.049 9.864 1.910 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.047 9.947 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.851 10.581 0.266 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.245 12.993 3.084 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.043 11.570 2.404 1.00 0.00 H new ATOM 293 N ASN A 23 5.597 7.028 1.449 1.00 0.00 N ATOM 294 CA ASN A 23 5.464 5.816 0.648 1.00 0.00 C ATOM 295 C ASN A 23 4.244 5.009 1.080 1.00 0.00 C ATOM 296 O ASN A 23 4.039 4.766 2.269 1.00 0.00 O ATOM 297 CB ASN A 23 6.725 4.959 0.773 1.00 0.00 C ATOM 298 CG ASN A 23 7.931 5.609 0.124 1.00 0.00 C ATOM 299 OD1 ASN A 23 7.982 5.774 -1.095 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.912 5.980 0.938 1.00 0.00 N ATOM 0 H ASN A 23 5.423 6.896 2.445 1.00 0.00 H new ATOM 0 HA ASN A 23 5.332 6.110 -0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.936 4.779 1.827 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.548 3.987 0.313 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.750 6.421 0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.828 5.824 1.942 1.00 0.00 H new ATOM 307 N CYS A 24 3.438 4.596 0.108 1.00 0.00 N ATOM 308 CA CYS A 24 2.239 3.815 0.390 1.00 0.00 C ATOM 309 C CYS A 24 2.338 2.425 -0.229 1.00 0.00 C ATOM 310 O CYS A 24 2.432 2.280 -1.448 1.00 0.00 O ATOM 311 CB CYS A 24 0.999 4.537 -0.135 1.00 0.00 C ATOM 312 SG CYS A 24 0.873 6.274 0.401 1.00 0.00 S ATOM 0 H CYS A 24 3.593 4.789 -0.882 1.00 0.00 H new ATOM 0 HA CYS A 24 2.152 3.704 1.471 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.005 4.503 -1.224 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.110 4.000 0.196 1.00 0.00 H new ATOM 317 N TYR A 25 2.330 1.407 0.624 1.00 0.00 N ATOM 318 CA TYR A 25 2.432 0.034 0.183 1.00 0.00 C ATOM 319 C TYR A 25 1.094 -0.500 -0.323 1.00 0.00 C ATOM 320 O TYR A 25 0.072 0.181 -0.260 1.00 0.00 O ATOM 321 CB TYR A 25 2.944 -0.840 1.330 1.00 0.00 C ATOM 322 CG TYR A 25 1.941 -1.031 2.447 1.00 0.00 C ATOM 323 CD1 TYR A 25 1.783 -0.068 3.436 1.00 0.00 C ATOM 324 CD2 TYR A 25 1.151 -2.175 2.511 1.00 0.00 C ATOM 325 CE1 TYR A 25 0.867 -0.239 4.457 1.00 0.00 C ATOM 326 CE2 TYR A 25 0.234 -2.350 3.529 1.00 0.00 C ATOM 327 CZ TYR A 25 0.096 -1.380 4.499 1.00 0.00 C ATOM 328 OH TYR A 25 -0.818 -1.553 5.514 1.00 0.00 O ATOM 0 H TYR A 25 2.253 1.516 1.635 1.00 0.00 H new ATOM 0 HA TYR A 25 3.136 0.001 -0.649 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.223 -1.816 0.934 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.849 -0.392 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.385 0.828 3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.257 -2.937 1.753 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.756 0.519 5.219 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.372 -3.243 3.565 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.688 -1.198 5.235 1.00 0.00 H new ATOM 338 N LYS A 26 1.119 -1.734 -0.817 1.00 0.00 N ATOM 339 CA LYS A 26 -0.076 -2.392 -1.332 1.00 0.00 C ATOM 340 C LYS A 26 0.133 -3.902 -1.364 1.00 0.00 C ATOM 341 O LYS A 26 0.536 -4.462 -2.382 1.00 0.00 O ATOM 342 CB LYS A 26 -0.410 -1.878 -2.734 1.00 0.00 C ATOM 343 CG LYS A 26 -1.900 -1.862 -3.035 1.00 0.00 C ATOM 344 CD LYS A 26 -2.198 -2.425 -4.416 1.00 0.00 C ATOM 345 CE LYS A 26 -3.289 -1.632 -5.118 1.00 0.00 C ATOM 346 NZ LYS A 26 -4.136 -2.500 -5.983 1.00 0.00 N ATOM 0 H LYS A 26 1.964 -2.303 -0.871 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.912 -2.162 -0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.014 -0.869 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.095 -2.502 -3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.430 -2.445 -2.282 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -2.274 -0.840 -2.969 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.290 -2.410 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.505 -3.467 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.915 -1.139 -4.375 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.835 -0.848 -5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.535 -1.933 -6.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.556 -3.268 -6.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.909 -2.906 -5.417 1.00 0.00 H new ATOM 360 N LYS A 27 -0.125 -4.552 -0.234 1.00 0.00 N ATOM 361 CA LYS A 27 0.054 -5.989 -0.119 1.00 0.00 C ATOM 362 C LYS A 27 -1.174 -6.750 -0.611 1.00 0.00 C ATOM 363 O LYS A 27 -2.307 -6.400 -0.283 1.00 0.00 O ATOM 364 CB LYS A 27 0.348 -6.349 1.335 1.00 0.00 C ATOM 365 CG LYS A 27 -0.783 -6.011 2.292 1.00 0.00 C ATOM 366 CD LYS A 27 -0.261 -5.728 3.690 1.00 0.00 C ATOM 367 CE LYS A 27 0.197 -7.001 4.382 1.00 0.00 C ATOM 368 NZ LYS A 27 -0.952 -7.794 4.901 1.00 0.00 N ATOM 0 H LYS A 27 -0.460 -4.101 0.617 1.00 0.00 H new ATOM 0 HA LYS A 27 0.895 -6.280 -0.749 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.559 -7.416 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.250 -5.826 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.327 -5.142 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.491 -6.839 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.569 -5.024 3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.043 -5.252 4.282 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.771 -7.608 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.864 -6.747 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.665 -8.296 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.744 -7.156 5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.250 -8.484 4.182 1.00 0.00 H new ATOM 382 N GLU A 28 -0.934 -7.795 -1.397 1.00 0.00 N ATOM 383 CA GLU A 28 -2.009 -8.616 -1.938 1.00 0.00 C ATOM 384 C GLU A 28 -1.835 -10.073 -1.519 1.00 0.00 C ATOM 385 O GLU A 28 -0.763 -10.652 -1.691 1.00 0.00 O ATOM 386 CB GLU A 28 -2.043 -8.516 -3.467 1.00 0.00 C ATOM 387 CG GLU A 28 -0.711 -8.126 -4.091 1.00 0.00 C ATOM 388 CD GLU A 28 -0.815 -7.896 -5.586 1.00 0.00 C ATOM 389 OE1 GLU A 28 -1.386 -8.761 -6.282 1.00 0.00 O ATOM 390 OE2 GLU A 28 -0.326 -6.848 -6.060 1.00 0.00 O ATOM 0 H GLU A 28 0.001 -8.093 -1.674 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.953 -8.245 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.357 -9.476 -3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.797 -7.784 -3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.341 -7.219 -3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.021 -8.910 -3.897 1.00 0.00 H new ATOM 397 N TRP A 29 -2.896 -10.664 -0.978 1.00 0.00 N ATOM 398 CA TRP A 29 -2.854 -12.057 -0.544 1.00 0.00 C ATOM 399 C TRP A 29 -3.964 -12.866 -1.209 1.00 0.00 C ATOM 400 O TRP A 29 -5.099 -12.406 -1.324 1.00 0.00 O ATOM 401 CB TRP A 29 -2.970 -12.158 0.981 1.00 0.00 C ATOM 402 CG TRP A 29 -4.302 -11.748 1.522 1.00 0.00 C ATOM 403 CD1 TRP A 29 -5.232 -12.573 2.062 1.00 0.00 C ATOM 404 CD2 TRP A 29 -4.845 -10.424 1.592 1.00 0.00 C ATOM 405 NE1 TRP A 29 -6.332 -11.855 2.459 1.00 0.00 N ATOM 406 CE2 TRP A 29 -6.119 -10.530 2.181 1.00 0.00 C ATOM 407 CE3 TRP A 29 -4.384 -9.161 1.212 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.935 -9.423 2.402 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -5.192 -8.062 1.431 1.00 0.00 C ATOM 410 CH2 TRP A 29 -6.455 -8.199 2.021 1.00 0.00 C ATOM 0 H TRP A 29 -3.793 -10.202 -0.830 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.892 -12.471 -0.847 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.769 -13.186 1.282 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -2.199 -11.536 1.435 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.123 -13.643 2.165 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.171 -12.244 2.890 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.412 -9.046 0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.909 -9.526 2.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.844 -7.081 1.143 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.063 -7.320 2.179 1.00 0.00 H new ATOM 421 N ARG A 30 -3.623 -14.073 -1.650 1.00 0.00 N ATOM 422 CA ARG A 30 -4.584 -14.946 -2.309 1.00 0.00 C ATOM 423 C ARG A 30 -5.025 -16.075 -1.382 1.00 0.00 C ATOM 424 O ARG A 30 -4.357 -16.379 -0.395 1.00 0.00 O ATOM 425 CB ARG A 30 -3.980 -15.532 -3.588 1.00 0.00 C ATOM 426 CG ARG A 30 -2.491 -15.826 -3.492 1.00 0.00 C ATOM 427 CD ARG A 30 -2.094 -16.990 -4.385 1.00 0.00 C ATOM 428 NE ARG A 30 -0.668 -16.977 -4.702 1.00 0.00 N ATOM 429 CZ ARG A 30 0.006 -18.039 -5.139 1.00 0.00 C ATOM 430 NH1 ARG A 30 -0.612 -19.201 -5.313 1.00 0.00 N ATOM 431 NH2 ARG A 30 1.300 -17.939 -5.404 1.00 0.00 N ATOM 0 H ARG A 30 -2.687 -14.468 -1.562 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.459 -14.348 -2.566 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.506 -16.454 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.150 -14.836 -4.410 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.925 -14.939 -3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.230 -16.054 -2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.347 -17.928 -3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.671 -16.951 -5.309 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.158 -16.102 -4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.609 -19.284 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.090 -20.011 -5.648 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.780 -17.049 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.816 -18.752 -5.739 1.00 0.00 H new ATOM 445 N ASP A 31 -6.152 -16.694 -1.714 1.00 0.00 N ATOM 446 CA ASP A 31 -6.686 -17.794 -0.919 1.00 0.00 C ATOM 447 C ASP A 31 -6.785 -19.064 -1.757 1.00 0.00 C ATOM 448 O ASP A 31 -6.447 -20.154 -1.296 1.00 0.00 O ATOM 449 CB ASP A 31 -8.062 -17.429 -0.360 1.00 0.00 C ATOM 450 CG ASP A 31 -9.064 -17.113 -1.454 1.00 0.00 C ATOM 451 OD1 ASP A 31 -9.133 -15.939 -1.874 1.00 0.00 O ATOM 452 OD2 ASP A 31 -9.780 -18.039 -1.888 1.00 0.00 O ATOM 0 H ASP A 31 -6.715 -16.452 -2.530 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.004 -17.976 -0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.436 -18.255 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.966 -16.568 0.301 1.00 0.00 H new ATOM 457 N ASN A 32 -7.247 -18.911 -2.994 1.00 0.00 N ATOM 458 CA ASN A 32 -7.390 -20.039 -3.906 1.00 0.00 C ATOM 459 C ASN A 32 -7.830 -19.562 -5.286 1.00 0.00 C ATOM 460 O ASN A 32 -7.028 -19.507 -6.219 1.00 0.00 O ATOM 461 CB ASN A 32 -8.395 -21.052 -3.350 1.00 0.00 C ATOM 462 CG ASN A 32 -7.830 -22.459 -3.301 1.00 0.00 C ATOM 463 OD1 ASN A 32 -7.273 -22.950 -4.283 1.00 0.00 O ATOM 464 ND2 ASN A 32 -7.970 -23.114 -2.155 1.00 0.00 N ATOM 0 H ASN A 32 -7.529 -18.014 -3.388 1.00 0.00 H new ATOM 0 HA ASN A 32 -6.420 -20.526 -4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.695 -20.749 -2.347 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.293 -21.045 -3.968 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.609 -24.063 -2.063 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.439 -22.668 -1.367 1.00 0.00 H new ATOM 471 N ARG A 33 -9.107 -19.213 -5.411 1.00 0.00 N ATOM 472 CA ARG A 33 -9.651 -18.739 -6.669 1.00 0.00 C ATOM 473 C ARG A 33 -9.579 -17.218 -6.755 1.00 0.00 C ATOM 474 O ARG A 33 -9.371 -16.655 -7.830 1.00 0.00 O ATOM 475 CB ARG A 33 -11.096 -19.203 -6.818 1.00 0.00 C ATOM 476 CG ARG A 33 -11.991 -18.771 -5.673 1.00 0.00 C ATOM 477 CD ARG A 33 -12.899 -19.902 -5.215 1.00 0.00 C ATOM 478 NE ARG A 33 -12.221 -20.817 -4.301 1.00 0.00 N ATOM 479 CZ ARG A 33 -12.080 -20.596 -2.996 1.00 0.00 C ATOM 480 NH1 ARG A 33 -12.561 -19.488 -2.447 1.00 0.00 N ATOM 481 NH2 ARG A 33 -11.454 -21.485 -2.237 1.00 0.00 N ATOM 0 H ARG A 33 -9.784 -19.252 -4.649 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.054 -19.155 -7.480 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.500 -18.812 -7.752 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.114 -20.290 -6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.377 -18.435 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.597 -17.921 -5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.777 -19.484 -4.723 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.254 -20.456 -6.084 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.832 -21.678 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.042 -18.799 -3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.450 -19.325 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.081 -22.338 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.346 -21.316 -1.237 1.00 0.00 H new ATOM 495 N GLY A 34 -9.753 -16.558 -5.614 1.00 0.00 N ATOM 496 CA GLY A 34 -9.705 -15.107 -5.579 1.00 0.00 C ATOM 497 C GLY A 34 -8.628 -14.584 -4.649 1.00 0.00 C ATOM 498 O GLY A 34 -7.941 -15.360 -3.985 1.00 0.00 O ATOM 0 H GLY A 34 -9.926 -17.002 -4.712 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.527 -14.728 -6.585 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.674 -14.722 -5.261 1.00 0.00 H new ATOM 502 N TYR A 35 -8.478 -13.263 -4.603 1.00 0.00 N ATOM 503 CA TYR A 35 -7.475 -12.638 -3.747 1.00 0.00 C ATOM 504 C TYR A 35 -7.810 -11.173 -3.490 1.00 0.00 C ATOM 505 O TYR A 35 -8.501 -10.534 -4.285 1.00 0.00 O ATOM 506 CB TYR A 35 -6.090 -12.754 -4.386 1.00 0.00 C ATOM 507 CG TYR A 35 -6.027 -12.224 -5.801 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.171 -10.868 -6.064 1.00 0.00 C ATOM 509 CD2 TYR A 35 -5.822 -13.082 -6.874 1.00 0.00 C ATOM 510 CE1 TYR A 35 -6.113 -10.381 -7.357 1.00 0.00 C ATOM 511 CE2 TYR A 35 -5.762 -12.604 -8.169 1.00 0.00 C ATOM 512 CZ TYR A 35 -5.908 -11.253 -8.405 1.00 0.00 C ATOM 513 OH TYR A 35 -5.851 -10.773 -9.693 1.00 0.00 O ATOM 0 H TYR A 35 -9.037 -12.606 -5.147 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.473 -13.161 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.370 -12.213 -3.772 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.786 -13.801 -4.386 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.331 -10.182 -5.245 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.708 -14.141 -6.693 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.228 -9.324 -7.545 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.602 -13.285 -8.992 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.700 -11.517 -10.313 1.00 0.00 H new ATOM 523 N ARG A 36 -7.312 -10.645 -2.376 1.00 0.00 N ATOM 524 CA ARG A 36 -7.554 -9.252 -2.013 1.00 0.00 C ATOM 525 C ARG A 36 -6.235 -8.507 -1.825 1.00 0.00 C ATOM 526 O ARG A 36 -5.159 -9.076 -2.008 1.00 0.00 O ATOM 527 CB ARG A 36 -8.393 -9.174 -0.735 1.00 0.00 C ATOM 528 CG ARG A 36 -9.746 -8.510 -0.938 1.00 0.00 C ATOM 529 CD ARG A 36 -10.860 -9.277 -0.244 1.00 0.00 C ATOM 530 NE ARG A 36 -10.706 -9.273 1.210 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.219 -10.295 1.916 1.00 0.00 C ATOM 532 NH1 ARG A 36 -9.825 -11.408 1.311 1.00 0.00 N ATOM 533 NH2 ARG A 36 -10.125 -10.199 3.235 1.00 0.00 N ATOM 0 H ARG A 36 -6.738 -11.161 -1.709 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.105 -8.777 -2.825 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.546 -10.181 -0.348 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.836 -8.622 0.023 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.712 -7.491 -0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.961 -8.442 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.822 -8.837 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.871 -10.306 -0.604 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.989 -8.435 1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.893 -11.488 0.296 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.454 -12.183 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.425 -9.346 3.707 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -9.753 -10.978 3.778 1.00 0.00 H new ATOM 547 N THR A 37 -6.322 -7.230 -1.463 1.00 0.00 N ATOM 548 CA THR A 37 -5.129 -6.416 -1.258 1.00 0.00 C ATOM 549 C THR A 37 -5.436 -5.189 -0.401 1.00 0.00 C ATOM 550 O THR A 37 -6.486 -4.566 -0.548 1.00 0.00 O ATOM 551 CB THR A 37 -4.553 -5.976 -2.606 1.00 0.00 C ATOM 552 OG1 THR A 37 -3.311 -5.319 -2.430 1.00 0.00 O ATOM 553 CG2 THR A 37 -5.464 -5.042 -3.372 1.00 0.00 C ATOM 0 H THR A 37 -7.202 -6.739 -1.306 1.00 0.00 H new ATOM 0 HA THR A 37 -4.394 -7.025 -0.731 1.00 0.00 H new ATOM 0 HB THR A 37 -4.436 -6.894 -3.183 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.031 -5.393 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.994 -4.770 -4.317 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.413 -5.540 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.641 -4.142 -2.783 1.00 0.00 H new ATOM 561 N GLU A 38 -4.507 -4.845 0.488 1.00 0.00 N ATOM 562 CA GLU A 38 -4.674 -3.691 1.360 1.00 0.00 C ATOM 563 C GLU A 38 -3.545 -2.689 1.148 1.00 0.00 C ATOM 564 O GLU A 38 -2.427 -3.065 0.787 1.00 0.00 O ATOM 565 CB GLU A 38 -4.723 -4.121 2.830 1.00 0.00 C ATOM 566 CG GLU A 38 -4.043 -5.450 3.119 1.00 0.00 C ATOM 567 CD GLU A 38 -3.499 -5.531 4.532 1.00 0.00 C ATOM 568 OE1 GLU A 38 -3.217 -4.466 5.120 1.00 0.00 O ATOM 569 OE2 GLU A 38 -3.355 -6.658 5.050 1.00 0.00 O ATOM 0 H GLU A 38 -3.631 -5.351 0.621 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.620 -3.213 1.106 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.254 -3.347 3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.765 -4.184 3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.755 -6.260 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.228 -5.599 2.411 1.00 0.00 H new ATOM 576 N ARG A 39 -3.843 -1.414 1.371 1.00 0.00 N ATOM 577 CA ARG A 39 -2.853 -0.355 1.201 1.00 0.00 C ATOM 578 C ARG A 39 -2.535 0.311 2.536 1.00 0.00 C ATOM 579 O ARG A 39 -2.926 -0.179 3.596 1.00 0.00 O ATOM 580 CB ARG A 39 -3.354 0.696 0.203 1.00 0.00 C ATOM 581 CG ARG A 39 -4.317 0.148 -0.840 1.00 0.00 C ATOM 582 CD ARG A 39 -5.761 0.270 -0.384 1.00 0.00 C ATOM 583 NE ARG A 39 -6.601 -0.792 -0.933 1.00 0.00 N ATOM 584 CZ ARG A 39 -7.118 -0.769 -2.160 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.880 0.254 -2.970 1.00 0.00 N ATOM 586 NH2 ARG A 39 -7.875 -1.774 -2.578 1.00 0.00 N ATOM 0 H ARG A 39 -4.762 -1.088 1.670 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.942 -0.809 0.811 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.847 1.498 0.752 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.497 1.138 -0.305 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.184 0.687 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.084 -0.898 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.801 0.237 0.705 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.157 1.239 -0.689 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.803 -1.598 -0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.298 1.030 -2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.279 0.265 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.061 -2.564 -1.960 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.271 -1.757 -3.518 1.00 0.00 H new ATOM 600 N GLY A 40 -1.821 1.432 2.476 1.00 0.00 N ATOM 601 CA GLY A 40 -1.462 2.148 3.686 1.00 0.00 C ATOM 602 C GLY A 40 -0.227 3.008 3.502 1.00 0.00 C ATOM 603 O GLY A 40 0.149 3.333 2.376 1.00 0.00 O ATOM 0 H GLY A 40 -1.485 1.856 1.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.297 2.777 3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -1.287 1.433 4.490 1.00 0.00 H new ATOM 607 N CYS A 41 0.406 3.378 4.611 1.00 0.00 N ATOM 608 CA CYS A 41 1.606 4.206 4.565 1.00 0.00 C ATOM 609 C CYS A 41 2.781 3.497 5.233 1.00 0.00 C ATOM 610 O CYS A 41 2.691 3.078 6.387 1.00 0.00 O ATOM 611 CB CYS A 41 1.348 5.551 5.249 1.00 0.00 C ATOM 612 SG CYS A 41 0.993 6.915 4.094 1.00 0.00 S ATOM 0 H CYS A 41 0.108 3.118 5.551 1.00 0.00 H new ATOM 0 HA CYS A 41 1.859 4.381 3.519 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.508 5.442 5.936 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.219 5.814 5.849 1.00 0.00 H new ATOM 617 N GLY A 42 3.880 3.366 4.498 1.00 0.00 N ATOM 618 CA GLY A 42 5.058 2.707 5.034 1.00 0.00 C ATOM 619 C GLY A 42 5.454 1.484 4.230 1.00 0.00 C ATOM 620 O GLY A 42 4.607 0.663 3.879 1.00 0.00 O ATOM 0 H GLY A 42 3.977 3.704 3.541 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.889 3.412 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.868 2.414 6.066 1.00 0.00 H new ATOM 624 N CYS A 43 6.745 1.364 3.938 1.00 0.00 N ATOM 625 CA CYS A 43 7.252 0.232 3.170 1.00 0.00 C ATOM 626 C CYS A 43 8.082 -0.698 4.051 1.00 0.00 C ATOM 627 O CYS A 43 9.296 -0.534 4.170 1.00 0.00 O ATOM 628 CB CYS A 43 8.097 0.726 1.993 1.00 0.00 C ATOM 629 SG CYS A 43 8.435 -0.548 0.735 1.00 0.00 S ATOM 0 H CYS A 43 7.459 2.036 4.221 1.00 0.00 H new ATOM 0 HA CYS A 43 6.398 -0.327 2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.586 1.564 1.518 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.045 1.106 2.374 1.00 0.00 H new ATOM 634 N PRO A 44 7.436 -1.693 4.684 1.00 0.00 N ATOM 635 CA PRO A 44 8.122 -2.651 5.557 1.00 0.00 C ATOM 636 C PRO A 44 9.037 -3.590 4.777 1.00 0.00 C ATOM 637 O PRO A 44 8.805 -3.862 3.599 1.00 0.00 O ATOM 638 CB PRO A 44 6.976 -3.434 6.200 1.00 0.00 C ATOM 639 CG PRO A 44 5.848 -3.318 5.235 1.00 0.00 C ATOM 640 CD PRO A 44 5.988 -1.964 4.597 1.00 0.00 C ATOM 0 HA PRO A 44 8.770 -2.153 6.278 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.251 -4.476 6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.709 -3.019 7.172 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.892 -4.109 4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 44 4.888 -3.413 5.743 1.00 0.00 H new ATOM 0 HD2 PRO A 44 5.642 -1.969 3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 44 5.405 -1.209 5.125 1.00 0.00 H new ATOM 648 N SER A 45 10.080 -4.080 5.441 1.00 0.00 N ATOM 649 CA SER A 45 11.030 -4.988 4.808 1.00 0.00 C ATOM 650 C SER A 45 10.894 -6.399 5.371 1.00 0.00 C ATOM 651 O SER A 45 11.886 -7.043 5.713 1.00 0.00 O ATOM 652 CB SER A 45 12.460 -4.480 5.005 1.00 0.00 C ATOM 653 OG SER A 45 12.831 -3.586 3.970 1.00 0.00 O ATOM 0 H SER A 45 10.288 -3.864 6.416 1.00 0.00 H new ATOM 0 HA SER A 45 10.808 -5.022 3.741 1.00 0.00 H new ATOM 0 HB2 SER A 45 12.541 -3.979 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 45 13.149 -5.324 5.025 1.00 0.00 H new ATOM 0 HG SER A 45 13.748 -3.274 4.120 1.00 0.00 H new ATOM 659 N VAL A 46 9.657 -6.873 5.465 1.00 0.00 N ATOM 660 CA VAL A 46 9.384 -8.204 5.984 1.00 0.00 C ATOM 661 C VAL A 46 9.489 -9.254 4.884 1.00 0.00 C ATOM 662 O VAL A 46 9.764 -8.931 3.728 1.00 0.00 O ATOM 663 CB VAL A 46 7.982 -8.279 6.616 1.00 0.00 C ATOM 664 CG1 VAL A 46 7.980 -7.632 7.993 1.00 0.00 C ATOM 665 CG2 VAL A 46 6.945 -7.630 5.711 1.00 0.00 C ATOM 0 H VAL A 46 8.826 -6.352 5.187 1.00 0.00 H new ATOM 0 HA VAL A 46 10.133 -8.407 6.749 1.00 0.00 H new ATOM 0 HB VAL A 46 7.716 -9.330 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.980 -7.695 8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.687 -8.151 8.640 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.271 -6.585 7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.962 -7.695 6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.203 -6.583 5.554 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.925 -8.147 4.751 1.00 0.00 H new ATOM 675 N LYS A 47 9.269 -10.513 5.250 1.00 0.00 N ATOM 676 CA LYS A 47 9.339 -11.610 4.294 1.00 0.00 C ATOM 677 C LYS A 47 8.150 -12.551 4.458 1.00 0.00 C ATOM 678 O LYS A 47 7.954 -13.142 5.520 1.00 0.00 O ATOM 679 CB LYS A 47 10.646 -12.387 4.470 1.00 0.00 C ATOM 680 CG LYS A 47 10.934 -12.774 5.911 1.00 0.00 C ATOM 681 CD LYS A 47 11.793 -14.027 5.991 1.00 0.00 C ATOM 682 CE LYS A 47 13.207 -13.708 6.448 1.00 0.00 C ATOM 683 NZ LYS A 47 14.073 -13.276 5.315 1.00 0.00 N ATOM 0 H LYS A 47 9.041 -10.798 6.202 1.00 0.00 H new ATOM 0 HA LYS A 47 9.309 -11.186 3.290 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.607 -13.290 3.861 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.471 -11.783 4.093 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.441 -11.951 6.415 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.995 -12.941 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.338 -14.737 6.682 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.826 -14.509 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.176 -12.921 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.642 -14.587 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.029 -13.068 5.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.124 -14.036 4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.672 -12.422 4.878 1.00 0.00 H new ATOM 697 N LYS A 48 7.355 -12.683 3.399 1.00 0.00 N ATOM 698 CA LYS A 48 6.184 -13.551 3.426 1.00 0.00 C ATOM 699 C LYS A 48 5.731 -13.899 2.013 1.00 0.00 C ATOM 700 O LYS A 48 6.055 -13.195 1.055 1.00 0.00 O ATOM 701 CB LYS A 48 5.042 -12.877 4.188 1.00 0.00 C ATOM 702 CG LYS A 48 5.164 -12.994 5.699 1.00 0.00 C ATOM 703 CD LYS A 48 3.855 -12.653 6.393 1.00 0.00 C ATOM 704 CE LYS A 48 3.071 -13.906 6.749 1.00 0.00 C ATOM 705 NZ LYS A 48 1.937 -14.137 5.811 1.00 0.00 N ATOM 0 H LYS A 48 7.501 -12.200 2.513 1.00 0.00 H new ATOM 0 HA LYS A 48 6.459 -14.474 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.008 -11.822 3.916 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.096 -13.318 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.463 -14.008 5.963 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.950 -12.327 6.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.060 -12.081 7.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.252 -12.018 5.744 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.738 -14.768 6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.689 -13.818 7.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.428 -15.001 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.287 -13.326 5.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.303 -14.246 4.844 1.00 0.00 H new ATOM 719 N GLY A 49 4.979 -14.988 1.888 1.00 0.00 N ATOM 720 CA GLY A 49 4.494 -15.409 0.588 1.00 0.00 C ATOM 721 C GLY A 49 3.603 -14.368 -0.063 1.00 0.00 C ATOM 722 O GLY A 49 3.504 -14.304 -1.288 1.00 0.00 O ATOM 0 H GLY A 49 4.697 -15.586 2.665 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.343 -15.615 -0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.940 -16.342 0.695 1.00 0.00 H new ATOM 726 N ILE A 50 2.952 -13.552 0.761 1.00 0.00 N ATOM 727 CA ILE A 50 2.064 -12.509 0.260 1.00 0.00 C ATOM 728 C ILE A 50 2.848 -11.428 -0.476 1.00 0.00 C ATOM 729 O ILE A 50 3.958 -11.071 -0.078 1.00 0.00 O ATOM 730 CB ILE A 50 1.261 -11.861 1.404 1.00 0.00 C ATOM 731 CG1 ILE A 50 0.569 -12.938 2.243 1.00 0.00 C ATOM 732 CG2 ILE A 50 0.242 -10.877 0.846 1.00 0.00 C ATOM 733 CD1 ILE A 50 -0.302 -12.379 3.349 1.00 0.00 C ATOM 0 H ILE A 50 3.023 -13.593 1.778 1.00 0.00 H new ATOM 0 HA ILE A 50 1.372 -12.986 -0.434 1.00 0.00 H new ATOM 0 HB ILE A 50 1.949 -11.313 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.043 -13.559 1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.327 -13.587 2.682 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.317 -10.428 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.758 -10.096 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.446 -11.402 0.183 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.760 -13.200 3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.309 -11.782 4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.082 -11.753 2.916 1.00 0.00 H new ATOM 745 N GLY A 51 2.263 -10.908 -1.551 1.00 0.00 N ATOM 746 CA GLY A 51 2.921 -9.872 -2.325 1.00 0.00 C ATOM 747 C GLY A 51 2.988 -8.550 -1.586 1.00 0.00 C ATOM 748 O GLY A 51 2.068 -8.196 -0.849 1.00 0.00 O ATOM 0 H GLY A 51 1.345 -11.186 -1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.931 -10.196 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.389 -9.732 -3.266 1.00 0.00 H new ATOM 752 N ILE A 52 4.080 -7.818 -1.782 1.00 0.00 N ATOM 753 CA ILE A 52 4.263 -6.529 -1.127 1.00 0.00 C ATOM 754 C ILE A 52 4.959 -5.534 -2.051 1.00 0.00 C ATOM 755 O ILE A 52 6.066 -5.784 -2.528 1.00 0.00 O ATOM 756 CB ILE A 52 5.079 -6.671 0.175 1.00 0.00 C ATOM 757 CG1 ILE A 52 5.164 -5.327 0.901 1.00 0.00 C ATOM 758 CG2 ILE A 52 6.471 -7.207 -0.125 1.00 0.00 C ATOM 759 CD1 ILE A 52 5.067 -5.448 2.406 1.00 0.00 C ATOM 0 H ILE A 52 4.851 -8.096 -2.389 1.00 0.00 H new ATOM 0 HA ILE A 52 3.269 -6.154 -0.883 1.00 0.00 H new ATOM 0 HB ILE A 52 4.571 -7.382 0.826 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.106 -4.842 0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.364 -4.679 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.033 -7.301 0.804 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.390 -8.185 -0.600 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.989 -6.520 -0.794 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.135 -4.457 2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.114 -5.904 2.674 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.883 -6.070 2.774 1.00 0.00 H new ATOM 771 N ASN A 53 4.304 -4.404 -2.295 1.00 0.00 N ATOM 772 CA ASN A 53 4.858 -3.368 -3.157 1.00 0.00 C ATOM 773 C ASN A 53 4.764 -2.000 -2.487 1.00 0.00 C ATOM 774 O ASN A 53 4.053 -1.833 -1.497 1.00 0.00 O ATOM 775 CB ASN A 53 4.126 -3.344 -4.500 1.00 0.00 C ATOM 776 CG ASN A 53 2.642 -3.078 -4.343 1.00 0.00 C ATOM 777 OD1 ASN A 53 2.236 -2.030 -3.839 1.00 0.00 O ATOM 778 ND2 ASN A 53 1.822 -4.028 -4.776 1.00 0.00 N ATOM 0 H ASN A 53 3.387 -4.183 -1.907 1.00 0.00 H new ATOM 0 HA ASN A 53 5.909 -3.598 -3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.565 -2.576 -5.137 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.270 -4.298 -5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.812 -3.905 -4.698 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.201 -4.881 -5.187 1.00 0.00 H new ATOM 785 N CYS A 54 5.487 -1.027 -3.030 1.00 0.00 N ATOM 786 CA CYS A 54 5.483 0.323 -2.480 1.00 0.00 C ATOM 787 C CYS A 54 5.628 1.366 -3.582 1.00 0.00 C ATOM 788 O CYS A 54 6.420 1.199 -4.510 1.00 0.00 O ATOM 789 CB CYS A 54 6.611 0.482 -1.460 1.00 0.00 C ATOM 790 SG CYS A 54 6.642 -0.813 -0.179 1.00 0.00 S ATOM 0 H CYS A 54 6.082 -1.148 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 54 4.526 0.481 -1.984 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.565 0.480 -1.986 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.515 1.454 -0.977 1.00 0.00 H new ATOM 795 N CYS A 55 4.857 2.443 -3.474 1.00 0.00 N ATOM 796 CA CYS A 55 4.898 3.518 -4.460 1.00 0.00 C ATOM 797 C CYS A 55 5.059 4.873 -3.778 1.00 0.00 C ATOM 798 O CYS A 55 5.041 4.965 -2.550 1.00 0.00 O ATOM 799 CB CYS A 55 3.630 3.509 -5.318 1.00 0.00 C ATOM 800 SG CYS A 55 2.117 3.014 -4.428 1.00 0.00 S ATOM 0 H CYS A 55 4.195 2.595 -2.713 1.00 0.00 H new ATOM 0 HA CYS A 55 5.760 3.351 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 55 3.482 4.505 -5.735 1.00 0.00 H new ATOM 0 HB3 CYS A 55 3.780 2.831 -6.158 1.00 0.00 H new ATOM 805 N THR A 56 5.223 5.922 -4.579 1.00 0.00 N ATOM 806 CA THR A 56 5.394 7.268 -4.043 1.00 0.00 C ATOM 807 C THR A 56 4.661 8.303 -4.895 1.00 0.00 C ATOM 808 O THR A 56 5.279 9.194 -5.477 1.00 0.00 O ATOM 809 CB THR A 56 6.881 7.618 -3.960 1.00 0.00 C ATOM 810 OG1 THR A 56 7.059 8.952 -3.518 1.00 0.00 O ATOM 811 CG2 THR A 56 7.604 7.473 -5.282 1.00 0.00 C ATOM 0 H THR A 56 5.241 5.866 -5.597 1.00 0.00 H new ATOM 0 HA THR A 56 4.963 7.287 -3.042 1.00 0.00 H new ATOM 0 HB THR A 56 7.306 6.907 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.649 9.567 -4.161 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.654 7.736 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.528 6.442 -5.627 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.151 8.136 -6.019 1.00 0.00 H new ATOM 819 N THR A 57 3.339 8.183 -4.959 1.00 0.00 N ATOM 820 CA THR A 57 2.524 9.114 -5.733 1.00 0.00 C ATOM 821 C THR A 57 1.091 9.151 -5.206 1.00 0.00 C ATOM 822 O THR A 57 0.678 8.279 -4.442 1.00 0.00 O ATOM 823 CB THR A 57 2.535 8.739 -7.219 1.00 0.00 C ATOM 824 OG1 THR A 57 1.457 9.357 -7.901 1.00 0.00 O ATOM 825 CG2 THR A 57 2.442 7.250 -7.475 1.00 0.00 C ATOM 0 H THR A 57 2.809 7.451 -4.485 1.00 0.00 H new ATOM 0 HA THR A 57 2.956 10.109 -5.624 1.00 0.00 H new ATOM 0 HB THR A 57 3.498 9.091 -7.590 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.483 9.107 -8.848 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.456 7.064 -8.549 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.289 6.747 -7.009 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.514 6.865 -7.052 1.00 0.00 H new ATOM 833 N ASP A 58 0.341 10.171 -5.611 1.00 0.00 N ATOM 834 CA ASP A 58 -1.039 10.330 -5.176 1.00 0.00 C ATOM 835 C ASP A 58 -1.909 9.173 -5.660 1.00 0.00 C ATOM 836 O ASP A 58 -1.889 8.818 -6.838 1.00 0.00 O ATOM 837 CB ASP A 58 -1.599 11.655 -5.691 1.00 0.00 C ATOM 838 CG ASP A 58 -1.320 11.868 -7.167 1.00 0.00 C ATOM 839 OD1 ASP A 58 -0.135 11.826 -7.559 1.00 0.00 O ATOM 840 OD2 ASP A 58 -2.287 12.079 -7.929 1.00 0.00 O ATOM 0 H ASP A 58 0.669 10.902 -6.242 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.052 10.330 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.675 11.682 -5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.165 12.476 -5.120 1.00 0.00 H new ATOM 845 N ARG A 59 -2.674 8.591 -4.739 1.00 0.00 N ATOM 846 CA ARG A 59 -3.557 7.474 -5.066 1.00 0.00 C ATOM 847 C ARG A 59 -2.800 6.374 -5.804 1.00 0.00 C ATOM 848 O ARG A 59 -3.360 5.683 -6.655 1.00 0.00 O ATOM 849 CB ARG A 59 -4.734 7.957 -5.915 1.00 0.00 C ATOM 850 CG ARG A 59 -5.562 9.042 -5.246 1.00 0.00 C ATOM 851 CD ARG A 59 -6.712 9.491 -6.135 1.00 0.00 C ATOM 852 NE ARG A 59 -7.777 8.494 -6.195 1.00 0.00 N ATOM 853 CZ ARG A 59 -8.718 8.470 -7.137 1.00 0.00 C ATOM 854 NH1 ARG A 59 -8.727 9.384 -8.099 1.00 0.00 N ATOM 855 NH2 ARG A 59 -9.651 7.528 -7.118 1.00 0.00 N ATOM 0 H ARG A 59 -2.700 8.875 -3.760 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.937 7.062 -4.131 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.355 8.334 -6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.379 7.108 -6.143 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.955 8.670 -4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -4.926 9.896 -5.013 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.116 10.431 -5.759 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.339 9.684 -7.141 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.802 7.774 -5.473 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.011 10.110 -8.120 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.450 9.361 -8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.648 6.822 -6.382 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -10.372 7.510 -7.839 1.00 0.00 H new ATOM 869 N CYS A 60 -1.523 6.222 -5.475 1.00 0.00 N ATOM 870 CA CYS A 60 -0.684 5.215 -6.106 1.00 0.00 C ATOM 871 C CYS A 60 -1.151 3.803 -5.754 1.00 0.00 C ATOM 872 O CYS A 60 -0.923 2.858 -6.509 1.00 0.00 O ATOM 873 CB CYS A 60 0.774 5.421 -5.685 1.00 0.00 C ATOM 874 SG CYS A 60 1.193 4.777 -4.031 1.00 0.00 S ATOM 0 H CYS A 60 -1.046 6.786 -4.772 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.764 5.327 -7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 60 1.421 4.942 -6.420 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.997 6.488 -5.711 1.00 0.00 H new ATOM 879 N ASN A 61 -1.804 3.668 -4.604 1.00 0.00 N ATOM 880 CA ASN A 61 -2.300 2.372 -4.157 1.00 0.00 C ATOM 881 C ASN A 61 -3.807 2.264 -4.371 1.00 0.00 C ATOM 882 O ASN A 61 -4.577 2.163 -3.414 1.00 0.00 O ATOM 883 CB ASN A 61 -1.963 2.157 -2.680 1.00 0.00 C ATOM 884 CG ASN A 61 -2.522 3.254 -1.796 1.00 0.00 C ATOM 885 OD1 ASN A 61 -3.416 3.997 -2.200 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.995 3.361 -0.582 1.00 0.00 N ATOM 0 H ASN A 61 -2.002 4.439 -3.966 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.812 1.598 -4.749 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.360 1.195 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.881 2.113 -2.559 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.330 4.081 0.058 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.255 2.723 -0.289 1.00 0.00 H new ATOM 893 N ASN A 62 -4.222 2.286 -5.633 1.00 0.00 N ATOM 894 CA ASN A 62 -5.637 2.191 -5.975 1.00 0.00 C ATOM 895 C ASN A 62 -5.911 0.951 -6.820 1.00 0.00 C ATOM 896 O ASN A 62 -4.973 0.477 -7.494 1.00 0.00 O ATOM 897 CB ASN A 62 -6.085 3.446 -6.728 1.00 0.00 C ATOM 898 CG ASN A 62 -7.595 3.572 -6.792 1.00 0.00 C ATOM 899 OD1 ASN A 62 -8.316 2.927 -6.029 1.00 0.00 O ATOM 900 ND2 ASN A 62 -8.081 4.406 -7.702 1.00 0.00 N ATOM 901 OXT ASN A 62 -7.061 0.465 -6.799 1.00 0.00 O ATOM 0 H ASN A 62 -3.599 2.369 -6.436 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.205 2.109 -5.048 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.670 4.327 -6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.682 3.423 -7.740 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.089 4.533 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.447 4.920 -8.313 1.00 0.00 H new TER 908 ASN A 62