USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 489 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 12 THR OG1 : rot 180:sc= 0.98 USER MOD Set 1.2: A 23 ASN :FLIP amide:sc= 0.63 F(o=0.35,f=1.6) USER MOD Set 2.1: A 16 THR OG1 : rot 63:sc= 0.437 USER MOD Set 2.2: A 29 ASN : amide:sc= -5.15! C(o=-4.7!,f=-6.2!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 160:sc= -0.15 (180deg=-0.688) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -2.88 K(o=-2.9,f=-7.7!) USER MOD Single : A 26 THR OG1 : rot -110:sc= -1.63! USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 70:sc= -4.73! USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc=0.000969 USER MOD Single : A 42 SER OG : rot -123:sc= -2.31! USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 46 ASN : amide:sc= 0.0493 X(o=0.049,f=0) USER MOD Single : A 47 THR OG1 : rot -59:sc= 1.15 USER MOD Single : A 49 GLN : amide:sc= -6.27! C(o=-6.3!,f=-15!) USER MOD Single : A 50 THR OG1 : rot 16:sc= -0.158 USER MOD Single : A 52 THR OG1 : rot -39:sc= 0.731 USER MOD Single : A 53 ASN : amide:sc= -0.741 X(o=-0.74,f=-1.2) USER MOD Single : A 54 SER OG : rot -110:sc= -1.13 USER MOD Single : A 55 LYS NZ :NH3+ 165:sc= -0.0679 (180deg=-0.387) USER MOD Single : A 61 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.083) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0169 USER MOD Single : A 66 SER OG : rot 102:sc= 0.595 USER MOD Single : A 67 THR OG1 : rot 180:sc= -2.21 USER MOD Single : A 68 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.52) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -2:sc= 0.764 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -7.42! C(o=-7.4!,f=-12!) USER MOD Single : A 78 SER OG : rot -150:sc= -0.0476 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HD1:sc= -1.71 X(o=-1.7,f=-2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -1.902 15.843 3.724 1.00 0.00 N ATOM 2 CA GLN A 1 -3.201 16.050 4.416 1.00 0.00 C ATOM 3 C GLN A 1 -4.311 16.382 3.422 1.00 0.00 C ATOM 4 O GLN A 1 -5.227 17.143 3.731 1.00 0.00 O ATOM 5 CB GLN A 1 -3.040 17.188 5.426 1.00 0.00 C ATOM 6 CG GLN A 1 -2.611 18.504 4.797 1.00 0.00 C ATOM 7 CD GLN A 1 -3.642 19.602 4.976 1.00 0.00 C ATOM 8 OE1 GLN A 1 -4.285 20.028 4.016 1.00 0.00 O ATOM 9 NE2 GLN A 1 -3.806 20.065 6.209 1.00 0.00 N ATOM 0 H1 GLN A 1 -1.124 15.956 4.405 1.00 0.00 H new ATOM 0 H2 GLN A 1 -1.872 14.885 3.321 1.00 0.00 H new ATOM 0 H3 GLN A 1 -1.799 16.543 2.962 1.00 0.00 H new ATOM 0 HA GLN A 1 -3.483 15.130 4.927 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -3.985 17.336 5.948 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -2.304 16.896 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -1.667 18.822 5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -2.430 18.351 3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -3.252 19.683 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -4.486 20.803 6.390 1.00 0.00 H new ATOM 20 N CYS A 2 -4.221 15.805 2.228 1.00 0.00 N ATOM 21 CA CYS A 2 -5.216 16.039 1.189 1.00 0.00 C ATOM 22 C CYS A 2 -6.407 15.100 1.355 1.00 0.00 C ATOM 23 O CYS A 2 -6.303 14.062 2.008 1.00 0.00 O ATOM 24 CB CYS A 2 -4.593 15.851 -0.196 1.00 0.00 C ATOM 25 SG CYS A 2 -3.234 17.008 -0.562 1.00 0.00 S ATOM 0 H CYS A 2 -3.469 15.172 1.956 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.569 17.066 1.284 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -4.220 14.830 -0.279 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.370 15.969 -0.951 1.00 0.00 H new ATOM 30 N THR A 3 -7.537 15.472 0.762 1.00 0.00 N ATOM 31 CA THR A 3 -8.746 14.661 0.845 1.00 0.00 C ATOM 32 C THR A 3 -9.780 15.117 -0.180 1.00 0.00 C ATOM 33 O THR A 3 -10.667 15.912 0.131 1.00 0.00 O ATOM 34 CB THR A 3 -9.338 14.736 2.253 1.00 0.00 C ATOM 35 OG1 THR A 3 -10.518 13.958 2.342 1.00 0.00 O ATOM 36 CG2 THR A 3 -9.684 16.145 2.683 1.00 0.00 C ATOM 0 H THR A 3 -7.640 16.329 0.219 1.00 0.00 H new ATOM 0 HA THR A 3 -8.477 13.628 0.626 1.00 0.00 H new ATOM 0 HB THR A 3 -8.561 14.353 2.914 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.881 14.017 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 3 -10.099 16.126 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.784 16.760 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 3 -10.418 16.565 1.996 1.00 0.00 H new ATOM 44 N GLY A 4 -9.659 14.608 -1.401 1.00 0.00 N ATOM 45 CA GLY A 4 -10.591 14.973 -2.453 1.00 0.00 C ATOM 46 C GLY A 4 -9.897 15.578 -3.658 1.00 0.00 C ATOM 47 O GLY A 4 -8.673 15.707 -3.677 1.00 0.00 O ATOM 0 H GLY A 4 -8.933 13.949 -1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.148 14.089 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.317 15.685 -2.060 1.00 0.00 H new ATOM 51 N GLY A 5 -10.681 15.950 -4.664 1.00 0.00 N ATOM 52 CA GLY A 5 -10.117 16.540 -5.864 1.00 0.00 C ATOM 53 C GLY A 5 -9.547 15.500 -6.809 1.00 0.00 C ATOM 54 O GLY A 5 -9.104 14.437 -6.378 1.00 0.00 O ATOM 0 H GLY A 5 -11.696 15.854 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -10.888 17.112 -6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.332 17.242 -5.585 1.00 0.00 H new ATOM 58 N ALA A 6 -9.557 15.809 -8.103 1.00 0.00 N ATOM 59 CA ALA A 6 -9.036 14.893 -9.110 1.00 0.00 C ATOM 60 C ALA A 6 -7.589 15.226 -9.466 1.00 0.00 C ATOM 61 O ALA A 6 -7.128 14.934 -10.568 1.00 0.00 O ATOM 62 CB ALA A 6 -9.908 14.930 -10.356 1.00 0.00 C ATOM 0 H ALA A 6 -9.920 16.686 -8.477 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.056 13.886 -8.692 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.508 14.242 -11.100 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.925 14.634 -10.097 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.917 15.941 -10.764 1.00 0.00 H new ATOM 68 N ASP A 7 -6.879 15.837 -8.522 1.00 0.00 N ATOM 69 CA ASP A 7 -5.484 16.207 -8.730 1.00 0.00 C ATOM 70 C ASP A 7 -4.770 16.373 -7.393 1.00 0.00 C ATOM 71 O ASP A 7 -5.102 17.262 -6.609 1.00 0.00 O ATOM 72 CB ASP A 7 -5.389 17.502 -9.539 1.00 0.00 C ATOM 73 CG ASP A 7 -4.235 17.484 -10.521 1.00 0.00 C ATOM 74 OD1 ASP A 7 -3.885 16.387 -11.006 1.00 0.00 O ATOM 75 OD2 ASP A 7 -3.680 18.567 -10.803 1.00 0.00 O ATOM 0 H ASP A 7 -7.248 16.086 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 7 -4.998 15.407 -9.289 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.322 17.658 -10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -5.271 18.345 -8.858 1.00 0.00 H new ATOM 80 N CYS A 8 -3.796 15.507 -7.134 1.00 0.00 N ATOM 81 CA CYS A 8 -3.046 15.557 -5.885 1.00 0.00 C ATOM 82 C CYS A 8 -1.545 15.451 -6.136 1.00 0.00 C ATOM 83 O CYS A 8 -1.038 14.389 -6.498 1.00 0.00 O ATOM 84 CB CYS A 8 -3.505 14.431 -4.957 1.00 0.00 C ATOM 85 SG CYS A 8 -5.308 14.374 -4.699 1.00 0.00 S ATOM 0 H CYS A 8 -3.508 14.764 -7.771 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.240 16.519 -5.410 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.177 13.477 -5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.013 14.547 -3.991 1.00 0.00 H new ATOM 90 N THR A 9 -0.841 16.559 -5.935 1.00 0.00 N ATOM 91 CA THR A 9 0.602 16.595 -6.136 1.00 0.00 C ATOM 92 C THR A 9 1.286 17.360 -5.007 1.00 0.00 C ATOM 93 O THR A 9 0.777 18.377 -4.536 1.00 0.00 O ATOM 94 CB THR A 9 0.939 17.239 -7.482 1.00 0.00 C ATOM 95 OG1 THR A 9 0.242 16.593 -8.532 1.00 0.00 O ATOM 96 CG2 THR A 9 2.414 17.196 -7.815 1.00 0.00 C ATOM 0 H THR A 9 -1.247 17.445 -5.633 1.00 0.00 H new ATOM 0 HA THR A 9 0.970 15.569 -6.134 1.00 0.00 H new ATOM 0 HB THR A 9 0.637 18.282 -7.388 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.468 17.019 -9.385 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.583 17.669 -8.782 1.00 0.00 H new ATOM 0 HG22 THR A 9 2.976 17.728 -7.048 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.748 16.159 -7.855 1.00 0.00 H new ATOM 104 N SER A 10 2.445 16.859 -4.577 1.00 0.00 N ATOM 105 CA SER A 10 3.215 17.483 -3.499 1.00 0.00 C ATOM 106 C SER A 10 2.664 17.109 -2.122 1.00 0.00 C ATOM 107 O SER A 10 3.260 17.448 -1.100 1.00 0.00 O ATOM 108 CB SER A 10 3.233 19.007 -3.654 1.00 0.00 C ATOM 109 OG SER A 10 4.504 19.538 -3.319 1.00 0.00 O ATOM 0 H SER A 10 2.874 16.017 -4.962 1.00 0.00 H new ATOM 0 HA SER A 10 4.235 17.105 -3.572 1.00 0.00 H new ATOM 0 HB2 SER A 10 2.983 19.274 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.470 19.450 -3.014 1.00 0.00 H new ATOM 0 HG SER A 10 4.491 20.512 -3.427 1.00 0.00 H new ATOM 115 N CYS A 11 1.532 16.407 -2.093 1.00 0.00 N ATOM 116 CA CYS A 11 0.927 15.995 -0.833 1.00 0.00 C ATOM 117 C CYS A 11 1.656 14.785 -0.257 1.00 0.00 C ATOM 118 O CYS A 11 2.622 14.297 -0.843 1.00 0.00 O ATOM 119 CB CYS A 11 -0.552 15.667 -1.035 1.00 0.00 C ATOM 120 SG CYS A 11 -1.625 16.171 0.349 1.00 0.00 S ATOM 0 H CYS A 11 1.019 16.114 -2.925 1.00 0.00 H new ATOM 0 HA CYS A 11 1.012 16.821 -0.127 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.900 16.155 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.657 14.593 -1.189 1.00 0.00 H new ATOM 125 N THR A 12 1.193 14.307 0.893 1.00 0.00 N ATOM 126 CA THR A 12 1.806 13.156 1.539 1.00 0.00 C ATOM 127 C THR A 12 0.743 12.291 2.217 1.00 0.00 C ATOM 128 O THR A 12 0.794 11.064 2.152 1.00 0.00 O ATOM 129 CB THR A 12 2.860 13.627 2.552 1.00 0.00 C ATOM 130 OG1 THR A 12 4.164 13.479 2.019 1.00 0.00 O ATOM 131 CG2 THR A 12 2.821 12.885 3.872 1.00 0.00 C ATOM 0 H THR A 12 0.396 14.699 1.395 1.00 0.00 H new ATOM 0 HA THR A 12 2.300 12.546 0.783 1.00 0.00 H new ATOM 0 HB THR A 12 2.618 14.673 2.743 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.823 13.785 2.677 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.595 13.276 4.532 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.845 13.021 4.337 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.995 11.823 3.698 1.00 0.00 H new ATOM 139 N GLY A 13 -0.216 12.940 2.869 1.00 0.00 N ATOM 140 CA GLY A 13 -1.271 12.215 3.549 1.00 0.00 C ATOM 141 C GLY A 13 -2.067 11.331 2.608 1.00 0.00 C ATOM 142 O GLY A 13 -1.687 11.144 1.451 1.00 0.00 O ATOM 0 H GLY A 13 -0.281 13.956 2.938 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -0.836 11.602 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.943 12.925 4.031 1.00 0.00 H new ATOM 146 N ALA A 14 -3.172 10.784 3.105 1.00 0.00 N ATOM 147 CA ALA A 14 -4.023 9.913 2.303 1.00 0.00 C ATOM 148 C ALA A 14 -4.881 10.720 1.335 1.00 0.00 C ATOM 149 O ALA A 14 -5.349 11.808 1.667 1.00 0.00 O ATOM 150 CB ALA A 14 -4.902 9.062 3.205 1.00 0.00 C ATOM 0 H ALA A 14 -3.499 10.929 4.060 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.379 9.258 1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.533 8.416 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.274 8.449 3.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.530 9.709 3.817 1.00 0.00 H new ATOM 156 N CYS A 15 -5.086 10.180 0.137 1.00 0.00 N ATOM 157 CA CYS A 15 -5.891 10.858 -0.875 1.00 0.00 C ATOM 158 C CYS A 15 -7.116 10.028 -1.256 1.00 0.00 C ATOM 159 O CYS A 15 -7.025 8.816 -1.452 1.00 0.00 O ATOM 160 CB CYS A 15 -5.051 11.155 -2.122 1.00 0.00 C ATOM 161 SG CYS A 15 -3.912 9.816 -2.604 1.00 0.00 S ATOM 0 H CYS A 15 -4.708 9.279 -0.156 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.235 11.799 -0.447 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.722 11.361 -2.956 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.472 12.062 -1.947 1.00 0.00 H new ATOM 166 N THR A 16 -8.258 10.700 -1.367 1.00 0.00 N ATOM 167 CA THR A 16 -9.508 10.048 -1.735 1.00 0.00 C ATOM 168 C THR A 16 -10.109 10.737 -2.953 1.00 0.00 C ATOM 169 O THR A 16 -9.932 11.942 -3.135 1.00 0.00 O ATOM 170 CB THR A 16 -10.496 10.083 -0.568 1.00 0.00 C ATOM 171 OG1 THR A 16 -11.758 9.579 -0.964 1.00 0.00 O ATOM 172 CG2 THR A 16 -10.712 11.472 -0.009 1.00 0.00 C ATOM 0 H THR A 16 -8.342 11.704 -1.206 1.00 0.00 H new ATOM 0 HA THR A 16 -9.302 9.006 -1.979 1.00 0.00 H new ATOM 0 HB THR A 16 -10.048 9.462 0.208 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.667 8.639 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 16 -11.423 11.426 0.816 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.764 11.871 0.352 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.105 12.122 -0.791 1.00 0.00 H new ATOM 180 N GLY A 17 -10.800 9.976 -3.797 1.00 0.00 N ATOM 181 CA GLY A 17 -11.380 10.559 -4.995 1.00 0.00 C ATOM 182 C GLY A 17 -10.346 11.358 -5.761 1.00 0.00 C ATOM 183 O GLY A 17 -10.601 12.483 -6.193 1.00 0.00 O ATOM 0 H GLY A 17 -10.968 8.977 -3.676 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -11.780 9.770 -5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.216 11.204 -4.723 1.00 0.00 H new ATOM 187 N CYS A 18 -9.165 10.768 -5.901 1.00 0.00 N ATOM 188 CA CYS A 18 -8.045 11.403 -6.588 1.00 0.00 C ATOM 189 C CYS A 18 -7.197 10.352 -7.298 1.00 0.00 C ATOM 190 O CYS A 18 -6.488 9.579 -6.654 1.00 0.00 O ATOM 191 CB CYS A 18 -7.192 12.169 -5.572 1.00 0.00 C ATOM 192 SG CYS A 18 -6.007 13.343 -6.303 1.00 0.00 S ATOM 0 H CYS A 18 -8.956 9.836 -5.542 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.430 12.099 -7.334 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.855 12.714 -4.900 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.642 11.450 -4.964 1.00 0.00 H new ATOM 197 N GLY A 19 -7.288 10.311 -8.624 1.00 0.00 N ATOM 198 CA GLY A 19 -6.535 9.329 -9.387 1.00 0.00 C ATOM 199 C GLY A 19 -5.114 9.763 -9.702 1.00 0.00 C ATOM 200 O GLY A 19 -4.542 9.332 -10.703 1.00 0.00 O ATOM 0 H GLY A 19 -7.867 10.937 -9.183 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.505 8.393 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -7.060 9.127 -10.321 1.00 0.00 H new ATOM 204 N ASN A 20 -4.535 10.604 -8.850 1.00 0.00 N ATOM 205 CA ASN A 20 -3.169 11.073 -9.058 1.00 0.00 C ATOM 206 C ASN A 20 -2.540 11.539 -7.750 1.00 0.00 C ATOM 207 O ASN A 20 -2.627 12.714 -7.391 1.00 0.00 O ATOM 208 CB ASN A 20 -3.130 12.208 -10.086 1.00 0.00 C ATOM 209 CG ASN A 20 -4.370 13.082 -10.049 1.00 0.00 C ATOM 210 OD1 ASN A 20 -5.060 13.158 -9.034 1.00 0.00 O ATOM 211 ND2 ASN A 20 -4.659 13.746 -11.163 1.00 0.00 N ATOM 0 H ASN A 20 -4.987 10.973 -8.014 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.591 10.232 -9.440 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.251 12.826 -9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.020 11.784 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.481 14.348 -11.199 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.058 13.653 -11.982 1.00 0.00 H new ATOM 218 N CYS A 21 -1.896 10.613 -7.046 1.00 0.00 N ATOM 219 CA CYS A 21 -1.239 10.930 -5.783 1.00 0.00 C ATOM 220 C CYS A 21 0.280 10.878 -5.946 1.00 0.00 C ATOM 221 O CYS A 21 0.791 10.226 -6.857 1.00 0.00 O ATOM 222 CB CYS A 21 -1.691 9.965 -4.682 1.00 0.00 C ATOM 223 SG CYS A 21 -2.214 10.793 -3.143 1.00 0.00 S ATOM 0 H CYS A 21 -1.815 9.636 -7.329 1.00 0.00 H new ATOM 0 HA CYS A 21 -1.524 11.941 -5.492 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.518 9.362 -5.058 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -0.874 9.280 -4.455 1.00 0.00 H new ATOM 228 N PRO A 22 1.025 11.580 -5.075 1.00 0.00 N ATOM 229 CA PRO A 22 2.480 11.626 -5.137 1.00 0.00 C ATOM 230 C PRO A 22 3.156 10.506 -4.344 1.00 0.00 C ATOM 231 O PRO A 22 3.667 9.548 -4.924 1.00 0.00 O ATOM 232 CB PRO A 22 2.802 12.993 -4.535 1.00 0.00 C ATOM 233 CG PRO A 22 1.649 13.333 -3.638 1.00 0.00 C ATOM 234 CD PRO A 22 0.507 12.399 -3.970 1.00 0.00 C ATOM 0 HA PRO A 22 2.848 11.487 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.736 12.962 -3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.923 13.744 -5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.936 13.227 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.347 14.370 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.232 11.784 -3.113 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.386 12.950 -4.266 1.00 0.00 H new ATOM 242 N ASN A 23 3.167 10.632 -3.018 1.00 0.00 N ATOM 243 CA ASN A 23 3.793 9.628 -2.161 1.00 0.00 C ATOM 244 C ASN A 23 2.848 9.178 -1.052 1.00 0.00 C ATOM 245 O ASN A 23 3.289 8.716 0.000 1.00 0.00 O ATOM 246 CB ASN A 23 5.081 10.180 -1.546 1.00 0.00 C ATOM 247 CG ASN A 23 4.829 11.355 -0.622 1.00 0.00 C ATOM 248 OD1 ASN A 23 4.409 12.477 -1.193 1.00 0.00 O flip ATOM 249 ND2 ASN A 23 5.008 11.254 0.592 1.00 0.00 N flip ATOM 0 H ASN A 23 2.751 11.416 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 23 4.030 8.765 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.583 9.387 -0.991 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.757 10.488 -2.344 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.332 10.372 0.988 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.832 12.053 1.202 1.00 0.00 H new ATOM 256 N ALA A 24 1.549 9.313 -1.293 1.00 0.00 N ATOM 257 CA ALA A 24 0.546 8.917 -0.310 1.00 0.00 C ATOM 258 C ALA A 24 0.824 7.518 0.237 1.00 0.00 C ATOM 259 O ALA A 24 1.087 6.587 -0.524 1.00 0.00 O ATOM 260 CB ALA A 24 -0.842 8.972 -0.926 1.00 0.00 C ATOM 0 H ALA A 24 1.166 9.693 -2.159 1.00 0.00 H new ATOM 0 HA ALA A 24 0.597 9.619 0.522 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.582 8.674 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.052 9.988 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.889 8.293 -1.777 1.00 0.00 H new ATOM 266 N VAL A 25 0.760 7.378 1.557 1.00 0.00 N ATOM 267 CA VAL A 25 1.002 6.091 2.201 1.00 0.00 C ATOM 268 C VAL A 25 -0.263 5.236 2.192 1.00 0.00 C ATOM 269 O VAL A 25 -0.196 4.007 2.178 1.00 0.00 O ATOM 270 CB VAL A 25 1.491 6.272 3.654 1.00 0.00 C ATOM 271 CG1 VAL A 25 0.464 7.036 4.478 1.00 0.00 C ATOM 272 CG2 VAL A 25 1.801 4.923 4.288 1.00 0.00 C ATOM 0 H VAL A 25 0.543 8.138 2.201 1.00 0.00 H new ATOM 0 HA VAL A 25 1.782 5.585 1.632 1.00 0.00 H new ATOM 0 HB VAL A 25 2.410 6.857 3.635 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.830 7.152 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.302 8.019 4.037 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.476 6.484 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.144 5.072 5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.901 4.308 4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 25 2.580 4.422 3.714 1.00 0.00 H new ATOM 282 N THR A 26 -1.414 5.900 2.189 1.00 0.00 N ATOM 283 CA THR A 26 -2.702 5.217 2.166 1.00 0.00 C ATOM 284 C THR A 26 -3.648 5.927 1.206 1.00 0.00 C ATOM 285 O THR A 26 -3.733 7.154 1.205 1.00 0.00 O ATOM 286 CB THR A 26 -3.311 5.168 3.570 1.00 0.00 C ATOM 287 OG1 THR A 26 -2.533 5.921 4.485 1.00 0.00 O ATOM 288 CG2 THR A 26 -3.432 3.763 4.120 1.00 0.00 C ATOM 0 H THR A 26 -1.481 6.918 2.202 1.00 0.00 H new ATOM 0 HA THR A 26 -2.549 4.194 1.823 1.00 0.00 H new ATOM 0 HB THR A 26 -4.311 5.589 3.464 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.084 5.314 5.109 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.871 3.799 5.117 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.069 3.169 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.443 3.307 4.175 1.00 0.00 H new ATOM 296 N CYS A 27 -4.347 5.159 0.379 1.00 0.00 N ATOM 297 CA CYS A 27 -5.270 5.740 -0.589 1.00 0.00 C ATOM 298 C CYS A 27 -6.683 5.198 -0.414 1.00 0.00 C ATOM 299 O CYS A 27 -6.932 4.006 -0.593 1.00 0.00 O ATOM 300 CB CYS A 27 -4.786 5.468 -2.013 1.00 0.00 C ATOM 301 SG CYS A 27 -3.377 6.502 -2.526 1.00 0.00 S ATOM 0 H CYS A 27 -4.294 4.141 0.358 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.296 6.815 -0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.503 4.419 -2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.613 5.630 -2.704 1.00 0.00 H new ATOM 306 N THR A 28 -7.608 6.092 -0.080 1.00 0.00 N ATOM 307 CA THR A 28 -9.003 5.721 0.102 1.00 0.00 C ATOM 308 C THR A 28 -9.791 6.034 -1.162 1.00 0.00 C ATOM 309 O THR A 28 -10.272 7.152 -1.340 1.00 0.00 O ATOM 310 CB THR A 28 -9.607 6.471 1.290 1.00 0.00 C ATOM 311 OG1 THR A 28 -8.755 6.397 2.418 1.00 0.00 O ATOM 312 CG2 THR A 28 -10.965 5.941 1.702 1.00 0.00 C ATOM 0 H THR A 28 -7.413 7.082 0.070 1.00 0.00 H new ATOM 0 HA THR A 28 -9.055 4.651 0.303 1.00 0.00 H new ATOM 0 HB THR A 28 -9.723 7.501 0.953 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.159 6.884 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.338 6.516 2.550 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.660 6.033 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.875 4.892 1.986 1.00 0.00 H new ATOM 320 N ASN A 29 -9.901 5.044 -2.046 1.00 0.00 N ATOM 321 CA ASN A 29 -10.606 5.205 -3.305 1.00 0.00 C ATOM 322 C ASN A 29 -9.709 5.885 -4.327 1.00 0.00 C ATOM 323 O ASN A 29 -8.672 6.454 -3.981 1.00 0.00 O ATOM 324 CB ASN A 29 -11.902 6.005 -3.126 1.00 0.00 C ATOM 325 CG ASN A 29 -12.668 5.600 -1.881 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.551 6.234 -0.833 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.459 4.539 -1.992 1.00 0.00 N ATOM 0 H ASN A 29 -9.504 4.115 -1.906 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.873 4.212 -3.666 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.665 7.068 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.536 5.863 -4.001 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.000 4.220 -1.188 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.525 4.043 -2.881 1.00 0.00 H new ATOM 334 N SER A 30 -10.113 5.799 -5.584 1.00 0.00 N ATOM 335 CA SER A 30 -9.364 6.383 -6.699 1.00 0.00 C ATOM 336 C SER A 30 -8.235 5.460 -7.142 1.00 0.00 C ATOM 337 O SER A 30 -7.699 4.695 -6.344 1.00 0.00 O ATOM 338 CB SER A 30 -8.799 7.750 -6.332 1.00 0.00 C ATOM 339 OG SER A 30 -9.243 8.727 -7.255 1.00 0.00 O ATOM 0 H SER A 30 -10.970 5.323 -5.867 1.00 0.00 H new ATOM 0 HA SER A 30 -10.062 6.508 -7.527 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.113 8.022 -5.324 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.710 7.712 -6.328 1.00 0.00 H new ATOM 0 HG SER A 30 -10.202 8.884 -7.129 1.00 0.00 H new ATOM 345 N GLN A 31 -7.885 5.528 -8.422 1.00 0.00 N ATOM 346 CA GLN A 31 -6.830 4.683 -8.972 1.00 0.00 C ATOM 347 C GLN A 31 -5.509 5.438 -9.080 1.00 0.00 C ATOM 348 O GLN A 31 -5.402 6.589 -8.662 1.00 0.00 O ATOM 349 CB GLN A 31 -7.240 4.164 -10.353 1.00 0.00 C ATOM 350 CG GLN A 31 -7.719 5.254 -11.298 1.00 0.00 C ATOM 351 CD GLN A 31 -9.167 5.075 -11.714 1.00 0.00 C ATOM 352 OE1 GLN A 31 -10.027 5.889 -11.377 1.00 0.00 O ATOM 353 NE2 GLN A 31 -9.443 4.005 -12.450 1.00 0.00 N ATOM 0 H GLN A 31 -8.316 6.159 -9.098 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.688 3.843 -8.292 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.391 3.651 -10.805 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.032 3.425 -10.233 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.601 6.224 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.088 5.261 -12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -8.699 3.356 -12.706 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -10.399 3.832 -12.759 1.00 0.00 H new ATOM 362 N HIS A 32 -4.503 4.775 -9.644 1.00 0.00 N ATOM 363 CA HIS A 32 -3.182 5.374 -9.810 1.00 0.00 C ATOM 364 C HIS A 32 -2.503 5.598 -8.462 1.00 0.00 C ATOM 365 O HIS A 32 -1.734 6.545 -8.294 1.00 0.00 O ATOM 366 CB HIS A 32 -3.288 6.697 -10.575 1.00 0.00 C ATOM 367 CG HIS A 32 -2.840 6.598 -12.000 1.00 0.00 C ATOM 368 ND1 HIS A 32 -1.568 6.211 -12.363 1.00 0.00 N ATOM 369 CD2 HIS A 32 -3.504 6.836 -13.157 1.00 0.00 C ATOM 370 CE1 HIS A 32 -1.467 6.216 -13.681 1.00 0.00 C ATOM 371 NE2 HIS A 32 -2.627 6.590 -14.185 1.00 0.00 N ATOM 0 H HIS A 32 -4.578 3.820 -9.995 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.570 4.680 -10.386 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -4.322 7.041 -10.550 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -2.689 7.452 -10.065 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -4.530 7.159 -13.253 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.585 5.958 -14.248 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.839 6.682 -15.179 1.00 0.00 H new ATOM 380 N CYS A 33 -2.784 4.719 -7.506 1.00 0.00 N ATOM 381 CA CYS A 33 -2.191 4.822 -6.178 1.00 0.00 C ATOM 382 C CYS A 33 -1.289 3.623 -5.893 1.00 0.00 C ATOM 383 O CYS A 33 -1.468 2.916 -4.901 1.00 0.00 O ATOM 384 CB CYS A 33 -3.288 4.931 -5.117 1.00 0.00 C ATOM 385 SG CYS A 33 -3.589 6.632 -4.539 1.00 0.00 S ATOM 0 H CYS A 33 -3.418 3.929 -7.626 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.579 5.723 -6.143 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.215 4.527 -5.524 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.017 4.310 -4.263 1.00 0.00 H new ATOM 390 N VAL A 34 -0.323 3.398 -6.777 1.00 0.00 N ATOM 391 CA VAL A 34 0.608 2.284 -6.633 1.00 0.00 C ATOM 392 C VAL A 34 1.464 2.423 -5.376 1.00 0.00 C ATOM 393 O VAL A 34 2.022 1.441 -4.886 1.00 0.00 O ATOM 394 CB VAL A 34 1.537 2.171 -7.857 1.00 0.00 C ATOM 395 CG1 VAL A 34 0.738 1.846 -9.109 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.334 3.453 -8.043 1.00 0.00 C ATOM 0 H VAL A 34 -0.164 3.974 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 34 0.001 1.382 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 34 2.239 1.356 -7.681 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.413 1.771 -9.962 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.218 0.898 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.010 2.636 -9.291 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.984 3.354 -8.912 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.650 4.288 -8.195 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.940 3.637 -7.156 1.00 0.00 H new ATOM 406 N LYS A 35 1.571 3.644 -4.862 1.00 0.00 N ATOM 407 CA LYS A 35 2.368 3.901 -3.668 1.00 0.00 C ATOM 408 C LYS A 35 1.508 3.879 -2.406 1.00 0.00 C ATOM 409 O LYS A 35 1.901 4.418 -1.372 1.00 0.00 O ATOM 410 CB LYS A 35 3.073 5.256 -3.790 1.00 0.00 C ATOM 411 CG LYS A 35 4.584 5.180 -3.634 1.00 0.00 C ATOM 412 CD LYS A 35 4.982 4.481 -2.342 1.00 0.00 C ATOM 413 CE LYS A 35 5.867 5.366 -1.477 1.00 0.00 C ATOM 414 NZ LYS A 35 5.071 6.347 -0.690 1.00 0.00 N ATOM 0 H LYS A 35 1.117 4.469 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 35 3.111 3.108 -3.586 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.839 5.690 -4.762 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.673 5.932 -3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.011 4.646 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.002 6.186 -3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.086 4.206 -1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.509 3.556 -2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.450 4.744 -0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.577 5.899 -2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.711 6.931 -0.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.534 6.958 -1.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.411 5.839 -0.067 1.00 0.00 H new ATOM 428 N ALA A 36 0.336 3.257 -2.493 1.00 0.00 N ATOM 429 CA ALA A 36 -0.566 3.176 -1.350 1.00 0.00 C ATOM 430 C ALA A 36 -0.446 1.831 -0.643 1.00 0.00 C ATOM 431 O ALA A 36 -0.561 0.778 -1.271 1.00 0.00 O ATOM 432 CB ALA A 36 -2.002 3.413 -1.793 1.00 0.00 C ATOM 0 H ALA A 36 -0.010 2.804 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.280 3.954 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.664 3.350 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.085 4.402 -2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.287 2.657 -2.525 1.00 0.00 H new ATOM 438 N ASN A 37 -0.217 1.873 0.667 1.00 0.00 N ATOM 439 CA ASN A 37 -0.086 0.655 1.459 1.00 0.00 C ATOM 440 C ASN A 37 -1.422 -0.074 1.550 1.00 0.00 C ATOM 441 O ASN A 37 -1.470 -1.304 1.556 1.00 0.00 O ATOM 442 CB ASN A 37 0.426 0.984 2.864 1.00 0.00 C ATOM 443 CG ASN A 37 1.931 0.849 2.977 1.00 0.00 C ATOM 444 OD1 ASN A 37 2.673 1.280 2.094 1.00 0.00 O ATOM 445 ND2 ASN A 37 2.391 0.247 4.068 1.00 0.00 N ATOM 0 H ASN A 37 -0.119 2.736 1.201 1.00 0.00 H new ATOM 0 HA ASN A 37 0.634 0.003 0.964 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.135 2.001 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.051 0.321 3.586 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.395 0.127 4.199 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.740 -0.095 4.775 1.00 0.00 H new ATOM 452 N THR A 38 -2.504 0.692 1.615 1.00 0.00 N ATOM 453 CA THR A 38 -3.843 0.120 1.699 1.00 0.00 C ATOM 454 C THR A 38 -4.804 0.873 0.786 1.00 0.00 C ATOM 455 O THR A 38 -4.966 2.087 0.909 1.00 0.00 O ATOM 456 CB THR A 38 -4.351 0.161 3.141 1.00 0.00 C ATOM 457 OG1 THR A 38 -3.270 0.200 4.055 1.00 0.00 O ATOM 458 CG2 THR A 38 -5.216 -1.028 3.503 1.00 0.00 C ATOM 0 H THR A 38 -2.481 1.712 1.611 1.00 0.00 H new ATOM 0 HA THR A 38 -3.792 -0.919 1.373 1.00 0.00 H new ATOM 0 HB THR A 38 -4.955 1.066 3.208 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.617 0.228 4.971 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.543 -0.938 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.087 -1.057 2.848 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.641 -1.946 3.383 1.00 0.00 H new ATOM 466 N CYS A 39 -5.434 0.149 -0.133 1.00 0.00 N ATOM 467 CA CYS A 39 -6.374 0.761 -1.066 1.00 0.00 C ATOM 468 C CYS A 39 -7.746 0.098 -0.990 1.00 0.00 C ATOM 469 O CYS A 39 -7.952 -0.993 -1.523 1.00 0.00 O ATOM 470 CB CYS A 39 -5.844 0.692 -2.507 1.00 0.00 C ATOM 471 SG CYS A 39 -4.567 -0.579 -2.804 1.00 0.00 S ATOM 0 H CYS A 39 -5.312 -0.857 -0.252 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.479 1.807 -0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.683 0.505 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.434 1.666 -2.774 1.00 0.00 H new ATOM 476 N THR A 40 -8.687 0.774 -0.337 1.00 0.00 N ATOM 477 CA THR A 40 -10.046 0.260 -0.204 1.00 0.00 C ATOM 478 C THR A 40 -10.927 0.817 -1.318 1.00 0.00 C ATOM 479 O THR A 40 -11.479 1.911 -1.198 1.00 0.00 O ATOM 480 CB THR A 40 -10.628 0.628 1.162 1.00 0.00 C ATOM 481 OG1 THR A 40 -9.600 0.995 2.066 1.00 0.00 O ATOM 482 CG2 THR A 40 -11.416 -0.497 1.797 1.00 0.00 C ATOM 0 H THR A 40 -8.533 1.679 0.108 1.00 0.00 H new ATOM 0 HA THR A 40 -10.016 -0.827 -0.285 1.00 0.00 H new ATOM 0 HB THR A 40 -11.302 1.463 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 40 -9.994 1.228 2.932 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.801 -0.171 2.763 1.00 0.00 H new ATOM 0 HG22 THR A 40 -12.248 -0.770 1.148 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.767 -1.361 1.938 1.00 0.00 H new ATOM 490 N GLY A 41 -11.039 0.065 -2.407 1.00 0.00 N ATOM 491 CA GLY A 41 -11.835 0.510 -3.535 1.00 0.00 C ATOM 492 C GLY A 41 -11.031 1.364 -4.477 1.00 0.00 C ATOM 493 O GLY A 41 -11.399 2.502 -4.761 1.00 0.00 O ATOM 0 H GLY A 41 -10.593 -0.844 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.225 -0.356 -4.070 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.695 1.075 -3.174 1.00 0.00 H new ATOM 497 N SER A 42 -9.932 0.820 -4.964 1.00 0.00 N ATOM 498 CA SER A 42 -9.078 1.544 -5.871 1.00 0.00 C ATOM 499 C SER A 42 -8.394 0.553 -6.788 1.00 0.00 C ATOM 500 O SER A 42 -8.836 -0.583 -6.889 1.00 0.00 O ATOM 501 CB SER A 42 -8.037 2.343 -5.083 1.00 0.00 C ATOM 502 OG SER A 42 -8.633 3.442 -4.419 1.00 0.00 O ATOM 0 H SER A 42 -9.614 -0.123 -4.743 1.00 0.00 H new ATOM 0 HA SER A 42 -9.671 2.242 -6.463 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.551 1.694 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.260 2.700 -5.759 1.00 0.00 H new ATOM 0 HG SER A 42 -8.198 4.272 -4.705 1.00 0.00 H new ATOM 508 N THR A 43 -7.320 0.964 -7.443 1.00 0.00 N ATOM 509 CA THR A 43 -6.598 0.061 -8.324 1.00 0.00 C ATOM 510 C THR A 43 -5.088 0.293 -8.206 1.00 0.00 C ATOM 511 O THR A 43 -4.595 0.536 -7.106 1.00 0.00 O ATOM 512 CB THR A 43 -7.105 0.217 -9.757 1.00 0.00 C ATOM 513 OG1 THR A 43 -6.395 1.231 -10.447 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.580 0.554 -9.825 1.00 0.00 C ATOM 0 H THR A 43 -6.933 1.906 -7.383 1.00 0.00 H new ATOM 0 HA THR A 43 -6.783 -0.970 -8.024 1.00 0.00 H new ATOM 0 HB THR A 43 -6.941 -0.752 -10.228 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.739 1.307 -11.361 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.883 0.653 -10.867 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.157 -0.241 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.763 1.494 -9.304 1.00 0.00 H new ATOM 522 N ASP A 44 -4.362 0.228 -9.332 1.00 0.00 N ATOM 523 CA ASP A 44 -2.905 0.438 -9.344 1.00 0.00 C ATOM 524 C ASP A 44 -2.313 0.409 -7.933 1.00 0.00 C ATOM 525 O ASP A 44 -2.076 1.454 -7.331 1.00 0.00 O ATOM 526 CB ASP A 44 -2.575 1.773 -10.014 1.00 0.00 C ATOM 527 CG ASP A 44 -3.309 1.958 -11.329 1.00 0.00 C ATOM 528 OD1 ASP A 44 -3.908 0.977 -11.819 1.00 0.00 O ATOM 529 OD2 ASP A 44 -3.285 3.084 -11.869 1.00 0.00 O ATOM 0 H ASP A 44 -4.761 0.031 -10.250 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.460 -0.380 -9.910 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.834 2.589 -9.339 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.501 1.833 -10.189 1.00 0.00 H new ATOM 534 N CYS A 45 -2.095 -0.793 -7.406 1.00 0.00 N ATOM 535 CA CYS A 45 -1.554 -0.946 -6.060 1.00 0.00 C ATOM 536 C CYS A 45 -0.461 -2.007 -6.018 1.00 0.00 C ATOM 537 O CYS A 45 -0.739 -3.196 -5.865 1.00 0.00 O ATOM 538 CB CYS A 45 -2.677 -1.311 -5.088 1.00 0.00 C ATOM 539 SG CYS A 45 -3.564 0.136 -4.420 1.00 0.00 S ATOM 0 H CYS A 45 -2.284 -1.671 -7.889 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.110 0.004 -5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.390 -1.960 -5.597 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.258 -1.884 -4.261 1.00 0.00 H new ATOM 544 N ASN A 46 0.785 -1.565 -6.147 1.00 0.00 N ATOM 545 CA ASN A 46 1.926 -2.472 -6.118 1.00 0.00 C ATOM 546 C ASN A 46 2.524 -2.548 -4.716 1.00 0.00 C ATOM 547 O ASN A 46 2.925 -3.618 -4.260 1.00 0.00 O ATOM 548 CB ASN A 46 2.988 -2.014 -7.121 1.00 0.00 C ATOM 549 CG ASN A 46 4.190 -2.937 -7.155 1.00 0.00 C ATOM 550 OD1 ASN A 46 5.229 -2.643 -6.563 1.00 0.00 O ATOM 551 ND2 ASN A 46 4.054 -4.060 -7.850 1.00 0.00 N ATOM 0 H ASN A 46 1.031 -0.583 -6.273 1.00 0.00 H new ATOM 0 HA ASN A 46 1.580 -3.467 -6.396 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.545 -1.962 -8.116 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.315 -1.006 -6.865 1.00 0.00 H new ATOM 0 HD21 ASN A 46 4.829 -4.720 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.174 -4.263 -8.325 1.00 0.00 H new ATOM 558 N THR A 47 2.581 -1.405 -4.038 1.00 0.00 N ATOM 559 CA THR A 47 3.130 -1.346 -2.687 1.00 0.00 C ATOM 560 C THR A 47 2.073 -1.703 -1.644 1.00 0.00 C ATOM 561 O THR A 47 2.402 -2.042 -0.507 1.00 0.00 O ATOM 562 CB THR A 47 3.690 0.049 -2.408 1.00 0.00 C ATOM 563 OG1 THR A 47 2.646 1.005 -2.344 1.00 0.00 O ATOM 564 CG2 THR A 47 4.678 0.518 -3.454 1.00 0.00 C ATOM 0 H THR A 47 2.255 -0.509 -4.401 1.00 0.00 H new ATOM 0 HA THR A 47 3.935 -2.078 -2.618 1.00 0.00 H new ATOM 0 HB THR A 47 4.209 -0.034 -1.453 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.151 1.006 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.036 1.514 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.521 -0.172 -3.493 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.189 0.550 -4.428 1.00 0.00 H new ATOM 572 N ALA A 48 0.802 -1.622 -2.032 1.00 0.00 N ATOM 573 CA ALA A 48 -0.298 -1.934 -1.126 1.00 0.00 C ATOM 574 C ALA A 48 -0.184 -3.356 -0.584 1.00 0.00 C ATOM 575 O ALA A 48 0.455 -4.213 -1.193 1.00 0.00 O ATOM 576 CB ALA A 48 -1.631 -1.741 -1.833 1.00 0.00 C ATOM 0 H ALA A 48 0.510 -1.343 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.243 -1.249 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.444 -1.977 -1.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.722 -0.706 -2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.683 -2.402 -2.698 1.00 0.00 H new ATOM 582 N GLN A 49 -0.811 -3.598 0.564 1.00 0.00 N ATOM 583 CA GLN A 49 -0.781 -4.916 1.190 1.00 0.00 C ATOM 584 C GLN A 49 -2.173 -5.558 1.196 1.00 0.00 C ATOM 585 O GLN A 49 -2.345 -6.676 1.680 1.00 0.00 O ATOM 586 CB GLN A 49 -0.211 -4.809 2.618 1.00 0.00 C ATOM 587 CG GLN A 49 -1.221 -5.046 3.736 1.00 0.00 C ATOM 588 CD GLN A 49 -2.359 -4.042 3.723 1.00 0.00 C ATOM 589 OE1 GLN A 49 -2.405 -3.151 2.877 1.00 0.00 O ATOM 590 NE2 GLN A 49 -3.285 -4.185 4.665 1.00 0.00 N ATOM 0 H GLN A 49 -1.346 -2.899 1.079 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.128 -5.563 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.601 -5.529 2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.224 -3.818 2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.629 -6.052 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.710 -4.997 4.698 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.206 -4.939 5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.074 -3.540 4.706 1.00 0.00 H new ATOM 599 N THR A 50 -3.159 -4.848 0.654 1.00 0.00 N ATOM 600 CA THR A 50 -4.522 -5.355 0.599 1.00 0.00 C ATOM 601 C THR A 50 -5.428 -4.399 -0.176 1.00 0.00 C ATOM 602 O THR A 50 -5.039 -3.270 -0.478 1.00 0.00 O ATOM 603 CB THR A 50 -5.056 -5.568 2.015 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.194 -6.410 2.003 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.443 -4.288 2.720 1.00 0.00 C ATOM 0 H THR A 50 -3.037 -3.920 0.247 1.00 0.00 H new ATOM 0 HA THR A 50 -4.515 -6.311 0.075 1.00 0.00 H new ATOM 0 HB THR A 50 -4.229 -6.023 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.243 -6.881 1.145 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.813 -4.520 3.719 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.572 -3.638 2.798 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.224 -3.782 2.153 1.00 0.00 H new ATOM 613 N CYS A 51 -6.633 -4.858 -0.499 1.00 0.00 N ATOM 614 CA CYS A 51 -7.585 -4.039 -1.242 1.00 0.00 C ATOM 615 C CYS A 51 -8.977 -4.663 -1.233 1.00 0.00 C ATOM 616 O CYS A 51 -9.170 -5.769 -0.728 1.00 0.00 O ATOM 617 CB CYS A 51 -7.109 -3.863 -2.684 1.00 0.00 C ATOM 618 SG CYS A 51 -6.535 -5.406 -3.464 1.00 0.00 S ATOM 0 H CYS A 51 -6.973 -5.789 -0.259 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.643 -3.066 -0.755 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.924 -3.448 -3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.299 -3.134 -2.703 1.00 0.00 H new ATOM 623 N THR A 52 -9.945 -3.946 -1.800 1.00 0.00 N ATOM 624 CA THR A 52 -11.321 -4.430 -1.863 1.00 0.00 C ATOM 625 C THR A 52 -11.926 -4.211 -3.251 1.00 0.00 C ATOM 626 O THR A 52 -13.134 -4.354 -3.435 1.00 0.00 O ATOM 627 CB THR A 52 -12.180 -3.736 -0.805 1.00 0.00 C ATOM 628 OG1 THR A 52 -13.464 -4.329 -0.733 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.374 -2.256 -1.062 1.00 0.00 C ATOM 0 H THR A 52 -9.801 -3.029 -2.222 1.00 0.00 H new ATOM 0 HA THR A 52 -11.304 -5.502 -1.664 1.00 0.00 H new ATOM 0 HB THR A 52 -11.634 -3.857 0.131 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.774 -4.549 -1.636 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.993 -1.828 -0.273 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.404 -1.758 -1.073 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.865 -2.115 -2.025 1.00 0.00 H new ATOM 637 N ASN A 53 -11.077 -3.870 -4.222 1.00 0.00 N ATOM 638 CA ASN A 53 -11.516 -3.637 -5.600 1.00 0.00 C ATOM 639 C ASN A 53 -10.374 -3.086 -6.454 1.00 0.00 C ATOM 640 O ASN A 53 -10.599 -2.285 -7.362 1.00 0.00 O ATOM 641 CB ASN A 53 -12.698 -2.661 -5.641 1.00 0.00 C ATOM 642 CG ASN A 53 -13.308 -2.554 -7.025 1.00 0.00 C ATOM 643 OD1 ASN A 53 -13.091 -1.574 -7.738 1.00 0.00 O ATOM 644 ND2 ASN A 53 -14.078 -3.564 -7.412 1.00 0.00 N ATOM 0 H ASN A 53 -10.075 -3.748 -4.078 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.832 -4.597 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.461 -2.988 -4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.364 -1.676 -5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.517 -3.547 -8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.231 -4.357 -6.789 1.00 0.00 H new ATOM 651 N SER A 54 -9.148 -3.514 -6.162 1.00 0.00 N ATOM 652 CA SER A 54 -7.981 -3.055 -6.907 1.00 0.00 C ATOM 653 C SER A 54 -7.622 -4.031 -8.024 1.00 0.00 C ATOM 654 O SER A 54 -7.515 -5.236 -7.798 1.00 0.00 O ATOM 655 CB SER A 54 -6.786 -2.884 -5.968 1.00 0.00 C ATOM 656 OG SER A 54 -5.685 -2.304 -6.645 1.00 0.00 O ATOM 0 H SER A 54 -8.938 -4.177 -5.416 1.00 0.00 H new ATOM 0 HA SER A 54 -8.228 -2.093 -7.356 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.070 -2.256 -5.124 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.497 -3.853 -5.561 1.00 0.00 H new ATOM 0 HG SER A 54 -4.977 -2.973 -6.750 1.00 0.00 H new ATOM 662 N LYS A 55 -7.432 -3.503 -9.228 1.00 0.00 N ATOM 663 CA LYS A 55 -7.080 -4.335 -10.375 1.00 0.00 C ATOM 664 C LYS A 55 -5.566 -4.405 -10.562 1.00 0.00 C ATOM 665 O LYS A 55 -5.083 -4.714 -11.651 1.00 0.00 O ATOM 666 CB LYS A 55 -7.735 -3.792 -11.648 1.00 0.00 C ATOM 667 CG LYS A 55 -9.221 -3.503 -11.497 1.00 0.00 C ATOM 668 CD LYS A 55 -9.610 -2.205 -12.189 1.00 0.00 C ATOM 669 CE LYS A 55 -9.299 -2.252 -13.676 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.820 -3.492 -14.315 1.00 0.00 N ATOM 0 H LYS A 55 -7.515 -2.508 -9.436 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.450 -5.342 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.224 -2.876 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.594 -4.512 -12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.797 -4.327 -11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.475 -3.443 -10.439 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.674 -2.019 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.076 -1.373 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.735 -1.381 -14.165 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.221 -2.194 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.818 -3.377 -15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.215 -4.297 -14.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.791 -3.669 -13.988 1.00 0.00 H new ATOM 684 N ASP A 56 -4.818 -4.120 -9.498 1.00 0.00 N ATOM 685 CA ASP A 56 -3.362 -4.155 -9.562 1.00 0.00 C ATOM 686 C ASP A 56 -2.756 -4.571 -8.227 1.00 0.00 C ATOM 687 O ASP A 56 -1.618 -4.219 -7.916 1.00 0.00 O ATOM 688 CB ASP A 56 -2.816 -2.793 -9.983 1.00 0.00 C ATOM 689 CG ASP A 56 -2.712 -2.650 -11.490 1.00 0.00 C ATOM 690 OD1 ASP A 56 -2.845 -3.673 -12.194 1.00 0.00 O ATOM 691 OD2 ASP A 56 -2.496 -1.515 -11.965 1.00 0.00 O ATOM 0 H ASP A 56 -5.196 -3.864 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.080 -4.899 -10.307 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.463 -2.009 -9.591 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.832 -2.646 -9.538 1.00 0.00 H new ATOM 696 N CYS A 57 -3.515 -5.327 -7.443 1.00 0.00 N ATOM 697 CA CYS A 57 -3.044 -5.794 -6.145 1.00 0.00 C ATOM 698 C CYS A 57 -2.087 -6.970 -6.315 1.00 0.00 C ATOM 699 O CYS A 57 -2.450 -8.121 -6.073 1.00 0.00 O ATOM 700 CB CYS A 57 -4.229 -6.200 -5.267 1.00 0.00 C ATOM 701 SG CYS A 57 -4.598 -5.018 -3.931 1.00 0.00 S ATOM 0 H CYS A 57 -4.459 -5.630 -7.683 1.00 0.00 H new ATOM 0 HA CYS A 57 -2.508 -4.979 -5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.113 -6.310 -5.895 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.026 -7.177 -4.828 1.00 0.00 H new ATOM 706 N PHE A 58 -0.863 -6.671 -6.739 1.00 0.00 N ATOM 707 CA PHE A 58 0.149 -7.702 -6.950 1.00 0.00 C ATOM 708 C PHE A 58 0.840 -8.073 -5.641 1.00 0.00 C ATOM 709 O PHE A 58 1.309 -9.199 -5.476 1.00 0.00 O ATOM 710 CB PHE A 58 1.192 -7.230 -7.967 1.00 0.00 C ATOM 711 CG PHE A 58 0.640 -6.407 -9.064 1.00 0.00 C ATOM 712 CD1 PHE A 58 0.034 -7.008 -10.147 1.00 0.00 C ATOM 713 CD2 PHE A 58 0.748 -5.033 -9.021 1.00 0.00 C ATOM 714 CE1 PHE A 58 -0.456 -6.247 -11.175 1.00 0.00 C ATOM 715 CE2 PHE A 58 0.257 -4.268 -10.042 1.00 0.00 C ATOM 716 CZ PHE A 58 -0.343 -4.878 -11.118 1.00 0.00 C ATOM 0 H PHE A 58 -0.547 -5.723 -6.943 1.00 0.00 H new ATOM 0 HA PHE A 58 -0.356 -8.586 -7.338 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.957 -6.654 -7.446 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.686 -8.102 -8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.055 -8.084 -10.185 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.223 -4.558 -8.175 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.928 -6.719 -12.024 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.340 -3.192 -10.004 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.730 -4.276 -11.927 1.00 0.00 H new ATOM 726 N GLU A 59 0.909 -7.119 -4.718 1.00 0.00 N ATOM 727 CA GLU A 59 1.554 -7.353 -3.429 1.00 0.00 C ATOM 728 C GLU A 59 0.563 -7.192 -2.280 1.00 0.00 C ATOM 729 O GLU A 59 0.905 -6.659 -1.224 1.00 0.00 O ATOM 730 CB GLU A 59 2.728 -6.389 -3.243 1.00 0.00 C ATOM 731 CG GLU A 59 3.903 -6.999 -2.495 1.00 0.00 C ATOM 732 CD GLU A 59 4.624 -8.057 -3.306 1.00 0.00 C ATOM 733 OE1 GLU A 59 5.161 -7.717 -4.380 1.00 0.00 O ATOM 734 OE2 GLU A 59 4.651 -9.226 -2.867 1.00 0.00 O ATOM 0 H GLU A 59 0.528 -6.180 -4.837 1.00 0.00 H new ATOM 0 HA GLU A 59 1.925 -8.378 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.068 -6.050 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.382 -5.508 -2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.606 -6.211 -2.226 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.547 -7.440 -1.564 1.00 0.00 H new ATOM 741 N ALA A 60 -0.664 -7.660 -2.486 1.00 0.00 N ATOM 742 CA ALA A 60 -1.696 -7.567 -1.459 1.00 0.00 C ATOM 743 C ALA A 60 -1.957 -8.925 -0.818 1.00 0.00 C ATOM 744 O ALA A 60 -1.706 -9.967 -1.422 1.00 0.00 O ATOM 745 CB ALA A 60 -2.983 -7.003 -2.044 1.00 0.00 C ATOM 0 H ALA A 60 -0.967 -8.106 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.337 -6.889 -0.684 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.741 -6.941 -1.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.794 -6.008 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.337 -7.656 -2.842 1.00 0.00 H new ATOM 751 N ASN A 61 -2.467 -8.902 0.408 1.00 0.00 N ATOM 752 CA ASN A 61 -2.768 -10.129 1.134 1.00 0.00 C ATOM 753 C ASN A 61 -4.249 -10.473 1.016 1.00 0.00 C ATOM 754 O ASN A 61 -4.618 -11.643 0.914 1.00 0.00 O ATOM 755 CB ASN A 61 -2.380 -9.986 2.608 1.00 0.00 C ATOM 756 CG ASN A 61 -1.042 -10.629 2.918 1.00 0.00 C ATOM 757 OD1 ASN A 61 -0.159 -10.001 3.503 1.00 0.00 O ATOM 758 ND2 ASN A 61 -0.885 -11.888 2.524 1.00 0.00 N ATOM 0 H ASN A 61 -2.681 -8.046 0.920 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.186 -10.938 0.693 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.341 -8.929 2.870 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.151 -10.440 3.230 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.006 -12.373 2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.644 -12.370 2.042 1.00 0.00 H new ATOM 765 N THR A 62 -5.094 -9.445 1.029 1.00 0.00 N ATOM 766 CA THR A 62 -6.535 -9.643 0.920 1.00 0.00 C ATOM 767 C THR A 62 -7.125 -8.738 -0.155 1.00 0.00 C ATOM 768 O THR A 62 -7.216 -7.524 0.025 1.00 0.00 O ATOM 769 CB THR A 62 -7.212 -9.372 2.264 1.00 0.00 C ATOM 770 OG1 THR A 62 -6.477 -9.956 3.324 1.00 0.00 O ATOM 771 CG2 THR A 62 -8.627 -9.905 2.340 1.00 0.00 C ATOM 0 H THR A 62 -4.806 -8.470 1.114 1.00 0.00 H new ATOM 0 HA THR A 62 -6.716 -10.680 0.636 1.00 0.00 H new ATOM 0 HB THR A 62 -7.243 -8.286 2.356 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.926 -9.770 4.175 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.049 -9.679 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.235 -9.436 1.566 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.618 -10.984 2.189 1.00 0.00 H new ATOM 779 N CYS A 63 -7.517 -9.335 -1.276 1.00 0.00 N ATOM 780 CA CYS A 63 -8.094 -8.577 -2.380 1.00 0.00 C ATOM 781 C CYS A 63 -9.463 -9.122 -2.769 1.00 0.00 C ATOM 782 O CYS A 63 -9.574 -9.988 -3.638 1.00 0.00 O ATOM 783 CB CYS A 63 -7.157 -8.605 -3.589 1.00 0.00 C ATOM 784 SG CYS A 63 -6.708 -10.281 -4.146 1.00 0.00 S ATOM 0 H CYS A 63 -7.446 -10.339 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.220 -7.546 -2.048 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.631 -8.075 -4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.246 -8.060 -3.341 1.00 0.00 H new ATOM 789 N THR A 64 -10.504 -8.602 -2.128 1.00 0.00 N ATOM 790 CA THR A 64 -11.869 -9.026 -2.416 1.00 0.00 C ATOM 791 C THR A 64 -12.505 -8.089 -3.434 1.00 0.00 C ATOM 792 O THR A 64 -12.443 -6.870 -3.286 1.00 0.00 O ATOM 793 CB THR A 64 -12.703 -9.056 -1.131 1.00 0.00 C ATOM 794 OG1 THR A 64 -11.901 -8.756 -0.002 1.00 0.00 O ATOM 795 CG2 THR A 64 -13.366 -10.393 -0.880 1.00 0.00 C ATOM 0 H THR A 64 -10.428 -7.886 -1.405 1.00 0.00 H new ATOM 0 HA THR A 64 -11.840 -10.032 -2.833 1.00 0.00 H new ATOM 0 HB THR A 64 -13.479 -8.304 -1.274 1.00 0.00 H new ATOM 0 HG1 THR A 64 -12.453 -8.779 0.807 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.941 -10.346 0.045 1.00 0.00 H new ATOM 0 HG22 THR A 64 -14.032 -10.630 -1.709 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.603 -11.167 -0.795 1.00 0.00 H new ATOM 803 N ASP A 65 -13.107 -8.660 -4.474 1.00 0.00 N ATOM 804 CA ASP A 65 -13.743 -7.865 -5.522 1.00 0.00 C ATOM 805 C ASP A 65 -12.692 -7.209 -6.412 1.00 0.00 C ATOM 806 O ASP A 65 -12.952 -6.185 -7.043 1.00 0.00 O ATOM 807 CB ASP A 65 -14.642 -6.785 -4.913 1.00 0.00 C ATOM 808 CG ASP A 65 -15.478 -7.308 -3.763 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.174 -8.328 -3.951 1.00 0.00 O ATOM 810 OD2 ASP A 65 -15.438 -6.698 -2.673 1.00 0.00 O ATOM 0 H ASP A 65 -13.168 -9.669 -4.614 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.353 -8.537 -6.126 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -14.025 -5.958 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -15.300 -6.387 -5.685 1.00 0.00 H new ATOM 815 N SER A 66 -11.502 -7.799 -6.451 1.00 0.00 N ATOM 816 CA SER A 66 -10.410 -7.263 -7.253 1.00 0.00 C ATOM 817 C SER A 66 -9.950 -8.272 -8.300 1.00 0.00 C ATOM 818 O SER A 66 -10.393 -9.419 -8.312 1.00 0.00 O ATOM 819 CB SER A 66 -9.242 -6.868 -6.343 1.00 0.00 C ATOM 820 OG SER A 66 -8.049 -7.546 -6.701 1.00 0.00 O ATOM 0 H SER A 66 -11.270 -8.648 -5.936 1.00 0.00 H new ATOM 0 HA SER A 66 -10.770 -6.378 -7.778 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.081 -5.792 -6.403 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.494 -7.096 -5.307 1.00 0.00 H new ATOM 0 HG SER A 66 -7.470 -6.942 -7.211 1.00 0.00 H new ATOM 826 N THR A 67 -9.057 -7.831 -9.179 1.00 0.00 N ATOM 827 CA THR A 67 -8.533 -8.687 -10.233 1.00 0.00 C ATOM 828 C THR A 67 -7.024 -8.515 -10.375 1.00 0.00 C ATOM 829 O THR A 67 -6.458 -7.518 -9.926 1.00 0.00 O ATOM 830 CB THR A 67 -9.225 -8.367 -11.555 1.00 0.00 C ATOM 831 OG1 THR A 67 -8.586 -9.027 -12.633 1.00 0.00 O ATOM 832 CG2 THR A 67 -9.253 -6.889 -11.871 1.00 0.00 C ATOM 0 H THR A 67 -8.681 -6.883 -9.181 1.00 0.00 H new ATOM 0 HA THR A 67 -8.733 -9.724 -9.965 1.00 0.00 H new ATOM 0 HB THR A 67 -10.250 -8.717 -11.435 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.047 -8.809 -13.470 1.00 0.00 H new ATOM 0 HG21 THR A 67 -9.759 -6.730 -12.823 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.788 -6.359 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.233 -6.511 -11.934 1.00 0.00 H new ATOM 840 N ASN A 68 -6.378 -9.494 -11.001 1.00 0.00 N ATOM 841 CA ASN A 68 -4.933 -9.457 -11.206 1.00 0.00 C ATOM 842 C ASN A 68 -4.179 -9.523 -9.879 1.00 0.00 C ATOM 843 O ASN A 68 -3.170 -8.842 -9.695 1.00 0.00 O ATOM 844 CB ASN A 68 -4.534 -8.192 -11.972 1.00 0.00 C ATOM 845 CG ASN A 68 -4.480 -8.416 -13.470 1.00 0.00 C ATOM 846 OD1 ASN A 68 -5.158 -9.295 -14.003 1.00 0.00 O ATOM 847 ND2 ASN A 68 -3.670 -7.621 -14.159 1.00 0.00 N ATOM 0 H ASN A 68 -6.834 -10.326 -11.376 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.660 -10.333 -11.795 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -5.247 -7.397 -11.752 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -3.559 -7.852 -11.623 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.592 -7.726 -15.171 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.126 -6.905 -13.677 1.00 0.00 H new ATOM 854 N CYS A 69 -4.664 -10.352 -8.959 1.00 0.00 N ATOM 855 CA CYS A 69 -4.021 -10.503 -7.659 1.00 0.00 C ATOM 856 C CYS A 69 -2.891 -11.525 -7.732 1.00 0.00 C ATOM 857 O CYS A 69 -3.030 -12.575 -8.359 1.00 0.00 O ATOM 858 CB CYS A 69 -5.039 -10.933 -6.599 1.00 0.00 C ATOM 859 SG CYS A 69 -4.895 -10.026 -5.025 1.00 0.00 S ATOM 0 H CYS A 69 -5.496 -10.927 -9.089 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.604 -9.536 -7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.044 -10.793 -6.997 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.919 -11.999 -6.405 1.00 0.00 H new ATOM 864 N TYR A 70 -1.772 -11.211 -7.088 1.00 0.00 N ATOM 865 CA TYR A 70 -0.620 -12.104 -7.081 1.00 0.00 C ATOM 866 C TYR A 70 -0.132 -12.356 -5.658 1.00 0.00 C ATOM 867 O TYR A 70 0.433 -11.470 -5.018 1.00 0.00 O ATOM 868 CB TYR A 70 0.518 -11.518 -7.924 1.00 0.00 C ATOM 869 CG TYR A 70 0.222 -11.466 -9.409 1.00 0.00 C ATOM 870 CD1 TYR A 70 -0.570 -12.432 -10.020 1.00 0.00 C ATOM 871 CD2 TYR A 70 0.740 -10.447 -10.200 1.00 0.00 C ATOM 872 CE1 TYR A 70 -0.836 -12.385 -11.375 1.00 0.00 C ATOM 873 CE2 TYR A 70 0.477 -10.393 -11.556 1.00 0.00 C ATOM 874 CZ TYR A 70 -0.310 -11.363 -12.139 1.00 0.00 C ATOM 875 OH TYR A 70 -0.573 -11.314 -13.489 1.00 0.00 O ATOM 0 H TYR A 70 -1.639 -10.346 -6.565 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.932 -13.054 -7.514 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.735 -10.510 -7.572 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.418 -12.112 -7.764 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.984 -13.233 -9.425 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.358 -9.685 -9.748 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.452 -13.144 -11.834 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.886 -9.594 -12.156 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.130 -10.532 -13.880 1.00 0.00 H new ATOM 885 N LYS A 71 -0.354 -13.575 -5.173 1.00 0.00 N ATOM 886 CA LYS A 71 0.061 -13.960 -3.826 1.00 0.00 C ATOM 887 C LYS A 71 -0.877 -13.380 -2.772 1.00 0.00 C ATOM 888 O LYS A 71 -0.434 -12.790 -1.786 1.00 0.00 O ATOM 889 CB LYS A 71 1.499 -13.507 -3.552 1.00 0.00 C ATOM 890 CG LYS A 71 2.250 -14.414 -2.590 1.00 0.00 C ATOM 891 CD LYS A 71 3.624 -14.785 -3.126 1.00 0.00 C ATOM 892 CE LYS A 71 3.642 -16.196 -3.694 1.00 0.00 C ATOM 893 NZ LYS A 71 4.224 -16.237 -5.063 1.00 0.00 N ATOM 0 H LYS A 71 -0.821 -14.316 -5.695 1.00 0.00 H new ATOM 0 HA LYS A 71 0.015 -15.047 -3.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.043 -13.462 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.481 -12.496 -3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.357 -13.914 -1.627 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.670 -15.320 -2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.916 -14.077 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.361 -14.705 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.219 -16.845 -3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.626 -16.590 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.218 -17.216 -5.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.659 -15.638 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 5.202 -15.886 -5.035 1.00 0.00 H new ATOM 907 N ALA A 72 -2.177 -13.555 -2.984 1.00 0.00 N ATOM 908 CA ALA A 72 -3.177 -13.053 -2.050 1.00 0.00 C ATOM 909 C ALA A 72 -3.868 -14.202 -1.322 1.00 0.00 C ATOM 910 O ALA A 72 -4.163 -15.238 -1.918 1.00 0.00 O ATOM 911 CB ALA A 72 -4.198 -12.193 -2.780 1.00 0.00 C ATOM 0 H ALA A 72 -2.562 -14.040 -3.794 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.671 -12.438 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.938 -11.825 -2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.693 -11.348 -3.248 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.695 -12.789 -3.546 1.00 0.00 H new ATOM 917 N THR A 73 -4.121 -14.013 -0.031 1.00 0.00 N ATOM 918 CA THR A 73 -4.773 -15.037 0.777 1.00 0.00 C ATOM 919 C THR A 73 -6.268 -15.094 0.483 1.00 0.00 C ATOM 920 O THR A 73 -6.857 -16.173 0.421 1.00 0.00 O ATOM 921 CB THR A 73 -4.545 -14.764 2.265 1.00 0.00 C ATOM 922 OG1 THR A 73 -4.923 -13.439 2.596 1.00 0.00 O ATOM 923 CG2 THR A 73 -3.105 -14.952 2.693 1.00 0.00 C ATOM 0 H THR A 73 -3.885 -13.161 0.478 1.00 0.00 H new ATOM 0 HA THR A 73 -4.334 -16.001 0.519 1.00 0.00 H new ATOM 0 HB THR A 73 -5.162 -15.493 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.218 -12.971 1.787 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.012 -14.743 3.759 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.798 -15.979 2.497 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.467 -14.269 2.132 1.00 0.00 H new ATOM 931 N ALA A 74 -6.877 -13.927 0.302 1.00 0.00 N ATOM 932 CA ALA A 74 -8.305 -13.847 0.014 1.00 0.00 C ATOM 933 C ALA A 74 -8.555 -13.765 -1.488 1.00 0.00 C ATOM 934 O ALA A 74 -8.158 -12.800 -2.142 1.00 0.00 O ATOM 935 CB ALA A 74 -8.918 -12.649 0.724 1.00 0.00 C ATOM 0 H ALA A 74 -6.405 -13.024 0.350 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.781 -14.755 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -9.984 -12.600 0.501 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.777 -12.752 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.433 -11.735 0.380 1.00 0.00 H new ATOM 941 N CYS A 75 -9.215 -14.784 -2.030 1.00 0.00 N ATOM 942 CA CYS A 75 -9.518 -14.826 -3.457 1.00 0.00 C ATOM 943 C CYS A 75 -11.015 -15.006 -3.693 1.00 0.00 C ATOM 944 O CYS A 75 -11.436 -15.896 -4.433 1.00 0.00 O ATOM 945 CB CYS A 75 -8.741 -15.961 -4.128 1.00 0.00 C ATOM 946 SG CYS A 75 -6.961 -15.971 -3.743 1.00 0.00 S ATOM 0 H CYS A 75 -9.550 -15.591 -1.504 1.00 0.00 H new ATOM 0 HA CYS A 75 -9.214 -13.876 -3.897 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -9.173 -16.914 -3.822 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.868 -15.885 -5.208 1.00 0.00 H new ATOM 951 N THR A 76 -11.814 -14.153 -3.061 1.00 0.00 N ATOM 952 CA THR A 76 -13.265 -14.216 -3.204 1.00 0.00 C ATOM 953 C THR A 76 -13.730 -13.369 -4.385 1.00 0.00 C ATOM 954 O THR A 76 -13.548 -12.151 -4.394 1.00 0.00 O ATOM 955 CB THR A 76 -13.947 -13.741 -1.920 1.00 0.00 C ATOM 956 OG1 THR A 76 -13.493 -14.488 -0.805 1.00 0.00 O ATOM 957 CG2 THR A 76 -15.456 -13.854 -1.966 1.00 0.00 C ATOM 0 H THR A 76 -11.482 -13.410 -2.445 1.00 0.00 H new ATOM 0 HA THR A 76 -13.543 -15.253 -3.391 1.00 0.00 H new ATOM 0 HB THR A 76 -13.681 -12.688 -1.824 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.939 -14.168 0.007 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.876 -13.501 -1.024 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.841 -13.248 -2.786 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.738 -14.895 -2.121 1.00 0.00 H new ATOM 965 N ASN A 77 -14.330 -14.024 -5.378 1.00 0.00 N ATOM 966 CA ASN A 77 -14.827 -13.338 -6.572 1.00 0.00 C ATOM 967 C ASN A 77 -13.816 -12.313 -7.084 1.00 0.00 C ATOM 968 O ASN A 77 -14.168 -11.173 -7.388 1.00 0.00 O ATOM 969 CB ASN A 77 -16.167 -12.656 -6.279 1.00 0.00 C ATOM 970 CG ASN A 77 -16.063 -11.616 -5.183 1.00 0.00 C ATOM 971 OD1 ASN A 77 -16.191 -11.931 -3.998 1.00 0.00 O ATOM 972 ND2 ASN A 77 -15.832 -10.367 -5.570 1.00 0.00 N ATOM 0 H ASN A 77 -14.484 -15.032 -5.380 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.973 -14.088 -7.350 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.537 -12.184 -7.189 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -16.899 -13.410 -5.991 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -15.754 -9.624 -4.875 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.733 -10.151 -6.562 1.00 0.00 H new ATOM 979 N SER A 78 -12.557 -12.729 -7.173 1.00 0.00 N ATOM 980 CA SER A 78 -11.493 -11.850 -7.644 1.00 0.00 C ATOM 981 C SER A 78 -10.633 -12.549 -8.693 1.00 0.00 C ATOM 982 O SER A 78 -10.429 -13.761 -8.634 1.00 0.00 O ATOM 983 CB SER A 78 -10.619 -11.403 -6.471 1.00 0.00 C ATOM 984 OG SER A 78 -10.461 -12.448 -5.526 1.00 0.00 O ATOM 0 H SER A 78 -12.249 -13.669 -6.925 1.00 0.00 H new ATOM 0 HA SER A 78 -11.954 -10.975 -8.102 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.642 -11.091 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.069 -10.536 -5.987 1.00 0.00 H new ATOM 0 HG SER A 78 -10.344 -12.065 -4.631 1.00 0.00 H new ATOM 990 N SER A 79 -10.131 -11.777 -9.653 1.00 0.00 N ATOM 991 CA SER A 79 -9.294 -12.325 -10.714 1.00 0.00 C ATOM 992 C SER A 79 -7.822 -12.294 -10.317 1.00 0.00 C ATOM 993 O SER A 79 -7.380 -11.397 -9.601 1.00 0.00 O ATOM 994 CB SER A 79 -9.504 -11.545 -12.013 1.00 0.00 C ATOM 995 OG SER A 79 -10.157 -12.341 -12.987 1.00 0.00 O ATOM 0 H SER A 79 -10.289 -10.771 -9.717 1.00 0.00 H new ATOM 0 HA SER A 79 -9.585 -13.363 -10.873 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.096 -10.652 -11.813 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.541 -11.210 -12.399 1.00 0.00 H new ATOM 0 HG SER A 79 -10.281 -11.819 -13.807 1.00 0.00 H new ATOM 1001 N GLY A 80 -7.065 -13.281 -10.788 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.650 -13.345 -10.476 1.00 0.00 C ATOM 1003 C GLY A 80 -5.366 -14.052 -9.161 1.00 0.00 C ATOM 1004 O GLY A 80 -4.344 -14.723 -9.021 1.00 0.00 O ATOM 0 H GLY A 80 -7.407 -14.037 -11.380 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.129 -13.863 -11.281 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.246 -12.333 -10.433 1.00 0.00 H new ATOM 1008 N CYS A 81 -6.269 -13.900 -8.196 1.00 0.00 N ATOM 1009 CA CYS A 81 -6.105 -14.528 -6.892 1.00 0.00 C ATOM 1010 C CYS A 81 -6.532 -15.995 -6.934 1.00 0.00 C ATOM 1011 O CYS A 81 -7.710 -16.298 -7.124 1.00 0.00 O ATOM 1012 CB CYS A 81 -6.924 -13.779 -5.839 1.00 0.00 C ATOM 1013 SG CYS A 81 -6.373 -14.067 -4.126 1.00 0.00 S ATOM 0 H CYS A 81 -7.121 -13.347 -8.294 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.049 -14.484 -6.625 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -6.877 -12.711 -6.050 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -7.969 -14.076 -5.928 1.00 0.00 H new ATOM 1018 N PRO A 82 -5.581 -16.930 -6.757 1.00 0.00 N ATOM 1019 CA PRO A 82 -5.878 -18.366 -6.777 1.00 0.00 C ATOM 1020 C PRO A 82 -7.012 -18.735 -5.827 1.00 0.00 C ATOM 1021 O PRO A 82 -6.833 -18.757 -4.609 1.00 0.00 O ATOM 1022 CB PRO A 82 -4.567 -19.010 -6.319 1.00 0.00 C ATOM 1023 CG PRO A 82 -3.514 -18.019 -6.676 1.00 0.00 C ATOM 1024 CD PRO A 82 -4.149 -16.665 -6.521 1.00 0.00 C ATOM 0 HA PRO A 82 -6.209 -18.699 -7.761 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.577 -19.209 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.399 -19.964 -6.819 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.646 -18.120 -6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.165 -18.172 -7.697 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.975 -16.251 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.749 -15.949 -7.239 1.00 0.00 H new ATOM 1032 N GLY A 83 -8.180 -19.025 -6.392 1.00 0.00 N ATOM 1033 CA GLY A 83 -9.329 -19.387 -5.582 1.00 0.00 C ATOM 1034 C GLY A 83 -9.035 -20.534 -4.633 1.00 0.00 C ATOM 1035 O GLY A 83 -9.404 -20.489 -3.460 1.00 0.00 O ATOM 0 H GLY A 83 -8.351 -19.016 -7.397 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.652 -18.519 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.157 -19.663 -6.235 1.00 0.00 H new ATOM 1039 N HIS A 84 -8.366 -21.564 -5.143 1.00 0.00 N ATOM 1040 CA HIS A 84 -8.020 -22.728 -4.335 1.00 0.00 C ATOM 1041 C HIS A 84 -7.213 -23.734 -5.148 1.00 0.00 C ATOM 1042 O HIS A 84 -6.427 -24.491 -4.541 1.00 0.00 O ATOM 1043 CB HIS A 84 -9.287 -23.393 -3.790 1.00 0.00 C ATOM 1044 CG HIS A 84 -9.609 -22.999 -2.382 1.00 0.00 C ATOM 1045 ND1 HIS A 84 -8.643 -22.749 -1.429 1.00 0.00 N ATOM 1046 CD2 HIS A 84 -10.801 -22.811 -1.764 1.00 0.00 C ATOM 1047 CE1 HIS A 84 -9.226 -22.426 -0.288 1.00 0.00 C ATOM 1048 NE2 HIS A 84 -10.534 -22.455 -0.465 1.00 0.00 N ATOM 1049 OXT HIS A 84 -7.373 -23.757 -6.386 1.00 0.00 O ATOM 0 H HIS A 84 -8.053 -21.616 -6.112 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.408 -22.389 -3.499 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.129 -23.135 -4.433 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -9.169 -24.476 -3.838 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.778 -22.921 -2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.719 -22.180 0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -11.233 -22.247 0.248 1.00 0.00 H new TER 1058 HIS A 84