USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 706 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 90 HIS : no HD1:sc= -2.68! C(o=-2.7!,f=-3.9!) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= -0.021 USER MOD Set 2.1: A 67 SER OG : rot 60:sc= -0.576 USER MOD Set 2.2: A 86 ASN : amide:sc= -1.55 X(o=-2.1,f=-2.6!) USER MOD Set 3.1: A 10 ASN : amide:sc= -0.585 K(o=-0.22,f=-1.7!) USER MOD Set 3.2: A 21 THR OG1 : rot 180:sc= 0.244 USER MOD Set 3.3: A 31 THR OG1 : rot -95:sc= 0.12 USER MOD Set 4.1: A 30 ASN : amide:sc= 1.88 K(o=2.9,f=1.8) USER MOD Set 4.2: A 32 SER OG : rot 180:sc= 0.987 USER MOD Set 5.1: A 7 THR OG1 : rot -61:sc= 1.09 USER MOD Set 5.2: A 93 ASN : amide:sc= -2.03 K(o=-0.94,f=-4.3) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.2!) USER MOD Single : A 9 TYR OH : rot -13:sc= 0.72 USER MOD Single : A 11 SER OG : rot -176:sc= -1.3 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.65! C(o=-3.2!,f=-1.7!) USER MOD Single : A 16 SER OG : rot 33:sc= -1.53! USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 20 SER OG : rot -11:sc= 0.365 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.322 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -1.32 F(o=-2.6!,f=-1.3) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0953 X(o=-0.095,f=-0.079) USER MOD Single : A 60 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : A 61 THR OG1 : rot 130:sc= -1.87! USER MOD Single : A 62 GLN : amide:sc= -0.0752 X(o=-0.075,f=-0.52) USER MOD Single : A 66 SER OG : rot 7:sc= 0.635 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 150:sc= 0.138 USER MOD Single : A 79 GLN : amide:sc= -0.0402 K(o=-0.04,f=-1.9!) USER MOD Single : A 82 SER OG : rot 24:sc= 1.18 USER MOD Single : A 83 THR OG1 : rot -44:sc= 1.1 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -96:sc= 0.985 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N GLY A 2 -3.691 -1.712 -11.421 1.00 0.00 N ATOM 23 CA GLY A 2 -3.671 -0.874 -10.241 1.00 0.00 C ATOM 24 C GLY A 2 -4.867 0.052 -10.104 1.00 0.00 C ATOM 25 O GLY A 2 -6.022 -0.366 -10.178 1.00 0.00 O ATOM 0 HA2 GLY A 2 -3.619 -1.512 -9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -2.762 -0.273 -10.254 1.00 0.00 H new ATOM 29 N LYS A 3 -4.558 1.329 -9.936 1.00 0.00 N ATOM 30 CA LYS A 3 -5.572 2.371 -9.808 1.00 0.00 C ATOM 31 C LYS A 3 -6.807 1.898 -9.018 1.00 0.00 C ATOM 32 O LYS A 3 -7.941 2.128 -9.437 1.00 0.00 O ATOM 33 CB LYS A 3 -5.985 2.834 -11.216 1.00 0.00 C ATOM 34 CG LYS A 3 -4.914 3.776 -11.817 1.00 0.00 C ATOM 35 CD LYS A 3 -5.122 5.222 -11.321 1.00 0.00 C ATOM 36 CE LYS A 3 -4.213 6.188 -12.089 1.00 0.00 C ATOM 37 NZ LYS A 3 -4.736 7.573 -11.928 1.00 0.00 N ATOM 0 H LYS A 3 -3.600 1.674 -9.884 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.141 3.199 -9.245 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -6.120 1.968 -11.864 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -6.944 3.349 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -3.919 3.430 -11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.967 3.748 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -6.165 5.512 -11.453 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -4.907 5.281 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.192 6.124 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.181 5.917 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -4.126 8.237 -12.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -5.703 7.625 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -4.745 7.826 -10.919 1.00 0.00 H new ATOM 51 N PHE A 4 -6.593 1.262 -7.867 1.00 0.00 N ATOM 52 CA PHE A 4 -7.724 0.810 -7.056 1.00 0.00 C ATOM 53 C PHE A 4 -8.495 2.019 -6.527 1.00 0.00 C ATOM 54 O PHE A 4 -9.710 1.965 -6.349 1.00 0.00 O ATOM 55 CB PHE A 4 -7.256 -0.076 -5.882 1.00 0.00 C ATOM 56 CG PHE A 4 -6.598 0.759 -4.803 1.00 0.00 C ATOM 57 CD1 PHE A 4 -5.340 1.339 -5.043 1.00 0.00 C ATOM 58 CD2 PHE A 4 -7.235 0.949 -3.554 1.00 0.00 C ATOM 59 CE1 PHE A 4 -4.718 2.108 -4.049 1.00 0.00 C ATOM 60 CE2 PHE A 4 -6.606 1.717 -2.551 1.00 0.00 C ATOM 61 CZ PHE A 4 -5.346 2.302 -2.800 1.00 0.00 C ATOM 0 H PHE A 4 -5.672 1.052 -7.482 1.00 0.00 H new ATOM 0 HA PHE A 4 -8.378 0.209 -7.688 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.108 -0.612 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.554 -0.827 -6.245 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.852 1.192 -5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.202 0.506 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.753 2.554 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.088 1.857 -1.595 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.864 2.896 -2.038 1.00 0.00 H new ATOM 71 N SER A 5 -7.766 3.105 -6.280 1.00 0.00 N ATOM 72 CA SER A 5 -8.367 4.334 -5.767 1.00 0.00 C ATOM 73 C SER A 5 -9.517 4.808 -6.658 1.00 0.00 C ATOM 74 O SER A 5 -10.440 5.473 -6.188 1.00 0.00 O ATOM 75 CB SER A 5 -7.296 5.423 -5.670 1.00 0.00 C ATOM 76 OG SER A 5 -7.714 6.408 -4.734 1.00 0.00 O ATOM 0 H SER A 5 -6.758 3.159 -6.427 1.00 0.00 H new ATOM 0 HA SER A 5 -8.776 4.129 -4.778 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.346 4.989 -5.359 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.134 5.878 -6.647 1.00 0.00 H new ATOM 0 HG SER A 5 -7.030 7.107 -4.667 1.00 0.00 H new ATOM 82 N GLN A 6 -9.455 4.470 -7.942 1.00 0.00 N ATOM 83 CA GLN A 6 -10.499 4.879 -8.880 1.00 0.00 C ATOM 84 C GLN A 6 -11.858 4.329 -8.455 1.00 0.00 C ATOM 85 O GLN A 6 -12.890 4.954 -8.702 1.00 0.00 O ATOM 86 CB GLN A 6 -10.159 4.385 -10.295 1.00 0.00 C ATOM 87 CG GLN A 6 -9.052 5.254 -10.897 1.00 0.00 C ATOM 88 CD GLN A 6 -8.764 4.793 -12.327 1.00 0.00 C ATOM 89 OE1 GLN A 6 -9.255 3.767 -12.757 1.00 0.00 O ATOM 90 NE2 GLN A 6 -7.981 5.509 -13.086 1.00 0.00 N ATOM 0 H GLN A 6 -8.702 3.920 -8.355 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.550 5.968 -8.879 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.837 3.344 -10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -11.047 4.423 -10.926 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -9.355 6.301 -10.895 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -8.149 5.182 -10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.569 6.370 -12.726 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -7.781 5.208 -14.040 1.00 0.00 H new ATOM 99 N THR A 7 -11.857 3.158 -7.818 1.00 0.00 N ATOM 100 CA THR A 7 -13.101 2.528 -7.363 1.00 0.00 C ATOM 101 C THR A 7 -12.969 2.084 -5.911 1.00 0.00 C ATOM 102 O THR A 7 -13.549 1.079 -5.500 1.00 0.00 O ATOM 103 CB THR A 7 -13.442 1.305 -8.232 1.00 0.00 C ATOM 104 OG1 THR A 7 -14.503 0.574 -7.634 1.00 0.00 O ATOM 105 CG2 THR A 7 -12.212 0.413 -8.353 1.00 0.00 C ATOM 0 H THR A 7 -11.013 2.626 -7.605 1.00 0.00 H new ATOM 0 HA THR A 7 -13.900 3.264 -7.450 1.00 0.00 H new ATOM 0 HB THR A 7 -13.750 1.638 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 7 -14.224 0.256 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 7 -12.451 -0.454 -8.968 1.00 0.00 H new ATOM 0 HG22 THR A 7 -11.400 0.974 -8.816 1.00 0.00 H new ATOM 0 HG23 THR A 7 -11.904 0.081 -7.361 1.00 0.00 H new ATOM 113 N CYS A 8 -12.216 2.861 -5.131 1.00 0.00 N ATOM 114 CA CYS A 8 -12.020 2.570 -3.708 1.00 0.00 C ATOM 115 C CYS A 8 -12.025 3.861 -2.902 1.00 0.00 C ATOM 116 O CYS A 8 -11.422 4.858 -3.296 1.00 0.00 O ATOM 117 CB CYS A 8 -10.710 1.807 -3.483 1.00 0.00 C ATOM 118 SG CYS A 8 -10.901 0.107 -4.073 1.00 0.00 S ATOM 0 H CYS A 8 -11.732 3.696 -5.459 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.843 1.940 -3.370 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -9.894 2.299 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -10.451 1.810 -2.424 1.00 0.00 H new ATOM 123 N TYR A 9 -12.733 3.832 -1.771 1.00 0.00 N ATOM 124 CA TYR A 9 -12.846 5.000 -0.896 1.00 0.00 C ATOM 125 C TYR A 9 -12.699 4.590 0.566 1.00 0.00 C ATOM 126 O TYR A 9 -12.735 3.403 0.893 1.00 0.00 O ATOM 127 CB TYR A 9 -14.207 5.672 -1.110 1.00 0.00 C ATOM 128 CG TYR A 9 -15.321 4.685 -0.825 1.00 0.00 C ATOM 129 CD1 TYR A 9 -15.723 3.761 -1.816 1.00 0.00 C ATOM 130 CD2 TYR A 9 -15.964 4.690 0.432 1.00 0.00 C ATOM 131 CE1 TYR A 9 -16.765 2.845 -1.548 1.00 0.00 C ATOM 132 CE2 TYR A 9 -17.004 3.774 0.700 1.00 0.00 C ATOM 133 CZ TYR A 9 -17.405 2.852 -0.289 1.00 0.00 C ATOM 134 OH TYR A 9 -18.466 2.002 -0.049 1.00 0.00 O ATOM 0 H TYR A 9 -13.238 3.010 -1.439 1.00 0.00 H new ATOM 0 HA TYR A 9 -12.049 5.701 -1.143 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -14.301 6.539 -0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -14.285 6.036 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -15.233 3.755 -2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -15.659 5.396 1.190 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -17.072 2.140 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -17.493 3.779 1.663 1.00 0.00 H new ATOM 0 HH TYR A 9 -18.778 1.621 -0.896 1.00 0.00 H new ATOM 144 N ASN A 10 -12.516 5.582 1.435 1.00 0.00 N ATOM 145 CA ASN A 10 -12.345 5.327 2.862 1.00 0.00 C ATOM 146 C ASN A 10 -11.119 4.457 3.097 1.00 0.00 C ATOM 147 O ASN A 10 -11.150 3.522 3.897 1.00 0.00 O ATOM 148 CB ASN A 10 -13.588 4.644 3.441 1.00 0.00 C ATOM 149 CG ASN A 10 -13.474 4.571 4.963 1.00 0.00 C ATOM 150 OD1 ASN A 10 -12.812 5.386 5.574 1.00 0.00 O ATOM 151 ND2 ASN A 10 -14.101 3.624 5.607 1.00 0.00 N ATOM 0 H ASN A 10 -12.482 6.568 1.176 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.206 6.283 3.367 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -14.483 5.198 3.160 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -13.690 3.641 3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -14.035 3.568 6.623 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -14.657 2.940 5.094 1.00 0.00 H new ATOM 158 N SER A 11 -10.035 4.774 2.389 1.00 0.00 N ATOM 159 CA SER A 11 -8.793 4.019 2.521 1.00 0.00 C ATOM 160 C SER A 11 -8.042 4.438 3.777 1.00 0.00 C ATOM 161 O SER A 11 -8.148 5.578 4.230 1.00 0.00 O ATOM 162 CB SER A 11 -7.911 4.231 1.284 1.00 0.00 C ATOM 163 OG SER A 11 -7.903 5.609 0.947 1.00 0.00 O ATOM 0 H SER A 11 -9.993 5.545 1.722 1.00 0.00 H new ATOM 0 HA SER A 11 -9.040 2.961 2.603 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.896 3.887 1.483 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.289 3.642 0.448 1.00 0.00 H new ATOM 0 HG SER A 11 -7.392 5.741 0.121 1.00 0.00 H new ATOM 169 N ALA A 12 -7.281 3.502 4.334 1.00 0.00 N ATOM 170 CA ALA A 12 -6.506 3.763 5.541 1.00 0.00 C ATOM 171 C ALA A 12 -5.333 2.799 5.623 1.00 0.00 C ATOM 172 O ALA A 12 -5.407 1.672 5.135 1.00 0.00 O ATOM 173 CB ALA A 12 -7.391 3.605 6.768 1.00 0.00 C ATOM 0 H ALA A 12 -7.184 2.555 3.968 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.125 4.784 5.505 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -6.806 3.801 7.666 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.219 4.312 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.783 2.589 6.805 1.00 0.00 H new ATOM 179 N ILE A 13 -4.246 3.250 6.245 1.00 0.00 N ATOM 180 CA ILE A 13 -3.047 2.420 6.394 1.00 0.00 C ATOM 181 C ILE A 13 -2.476 2.580 7.800 1.00 0.00 C ATOM 182 O ILE A 13 -2.438 3.683 8.344 1.00 0.00 O ATOM 183 CB ILE A 13 -1.974 2.795 5.333 1.00 0.00 C ATOM 184 CG1 ILE A 13 -2.427 2.285 3.938 1.00 0.00 C ATOM 185 CG2 ILE A 13 -0.616 2.155 5.698 1.00 0.00 C ATOM 186 CD1 ILE A 13 -1.726 3.053 2.789 1.00 0.00 C ATOM 0 H ILE A 13 -4.168 4.181 6.653 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.328 1.379 6.237 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.861 3.879 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.207 1.221 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.507 2.396 3.844 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.127 2.425 4.947 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -0.294 2.517 6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.722 1.071 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.070 2.666 1.830 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.967 4.114 2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.647 2.920 2.868 1.00 0.00 H new ATOM 198 N GLN A 14 -2.035 1.465 8.386 1.00 0.00 N ATOM 199 CA GLN A 14 -1.475 1.484 9.737 1.00 0.00 C ATOM 200 C GLN A 14 -0.436 0.373 9.911 1.00 0.00 C ATOM 201 O GLN A 14 -0.765 -0.757 10.273 1.00 0.00 O ATOM 202 CB GLN A 14 -2.614 1.321 10.770 1.00 0.00 C ATOM 203 CG GLN A 14 -2.256 2.019 12.093 1.00 0.00 C ATOM 204 CD GLN A 14 -0.857 1.598 12.550 1.00 0.00 C ATOM 205 OE1 GLN A 14 0.186 2.213 12.062 1.00 0.00 O flip ATOM 206 NE2 GLN A 14 -0.712 0.703 13.359 1.00 0.00 N flip ATOM 0 H GLN A 14 -2.055 0.544 7.949 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.976 2.440 9.898 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.537 1.741 10.370 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.798 0.262 10.951 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.294 3.101 11.964 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.989 1.763 12.858 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.527 0.223 13.740 1.00 0.00 H new ATOM 0 HE22 GLN A 14 0.225 0.432 13.657 1.00 0.00 H new ATOM 215 N GLY A 15 0.820 0.715 9.636 1.00 0.00 N ATOM 216 CA GLY A 15 1.924 -0.233 9.750 1.00 0.00 C ATOM 217 C GLY A 15 2.308 -0.819 8.408 1.00 0.00 C ATOM 218 O GLY A 15 3.268 -0.376 7.784 1.00 0.00 O ATOM 0 H GLY A 15 1.099 1.647 9.331 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.788 0.267 10.188 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.643 -1.037 10.430 1.00 0.00 H new ATOM 222 N SER A 16 1.557 -1.821 7.958 1.00 0.00 N ATOM 223 CA SER A 16 1.836 -2.465 6.672 1.00 0.00 C ATOM 224 C SER A 16 0.560 -3.091 6.111 1.00 0.00 C ATOM 225 O SER A 16 0.604 -4.065 5.360 1.00 0.00 O ATOM 226 CB SER A 16 2.938 -3.525 6.855 1.00 0.00 C ATOM 227 OG SER A 16 3.903 -3.370 5.826 1.00 0.00 O ATOM 0 H SER A 16 0.755 -2.204 8.459 1.00 0.00 H new ATOM 0 HA SER A 16 2.187 -1.719 5.959 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.408 -3.414 7.832 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.507 -4.526 6.820 1.00 0.00 H new ATOM 0 HG SER A 16 3.975 -2.423 5.585 1.00 0.00 H new ATOM 233 N VAL A 17 -0.574 -2.512 6.499 1.00 0.00 N ATOM 234 CA VAL A 17 -1.884 -2.997 6.053 1.00 0.00 C ATOM 235 C VAL A 17 -2.708 -1.878 5.444 1.00 0.00 C ATOM 236 O VAL A 17 -2.944 -0.858 6.073 1.00 0.00 O ATOM 237 CB VAL A 17 -2.673 -3.626 7.222 1.00 0.00 C ATOM 238 CG1 VAL A 17 -2.917 -2.584 8.323 1.00 0.00 C ATOM 239 CG2 VAL A 17 -4.013 -4.167 6.702 1.00 0.00 C ATOM 0 H VAL A 17 -0.615 -1.705 7.122 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.699 -3.757 5.294 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.092 -4.445 7.645 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.474 -3.042 9.140 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.960 -2.218 8.696 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.490 -1.751 7.915 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.571 -4.611 7.527 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.592 -3.351 6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.829 -4.924 5.939 1.00 0.00 H new ATOM 249 N LEU A 18 -3.181 -2.111 4.222 1.00 0.00 N ATOM 250 CA LEU A 18 -4.033 -1.156 3.520 1.00 0.00 C ATOM 251 C LEU A 18 -5.453 -1.660 3.664 1.00 0.00 C ATOM 252 O LEU A 18 -5.704 -2.831 3.418 1.00 0.00 O ATOM 253 CB LEU A 18 -3.623 -1.092 2.027 1.00 0.00 C ATOM 254 CG LEU A 18 -3.968 0.271 1.397 1.00 0.00 C ATOM 255 CD1 LEU A 18 -3.769 0.186 -0.121 1.00 0.00 C ATOM 256 CD2 LEU A 18 -5.427 0.657 1.697 1.00 0.00 C ATOM 0 H LEU A 18 -2.986 -2.962 3.694 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.938 -0.151 3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.552 -1.274 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.129 -1.885 1.477 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.313 1.031 1.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.011 1.147 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.731 -0.066 -0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.423 -0.584 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.649 1.623 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.095 -0.099 1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.572 0.722 2.775 1.00 0.00 H new ATOM 268 N THR A 19 -6.385 -0.796 4.041 1.00 0.00 N ATOM 269 CA THR A 19 -7.781 -1.192 4.192 1.00 0.00 C ATOM 270 C THR A 19 -8.631 -0.112 3.561 1.00 0.00 C ATOM 271 O THR A 19 -8.454 1.068 3.862 1.00 0.00 O ATOM 272 CB THR A 19 -8.162 -1.317 5.680 1.00 0.00 C ATOM 273 OG1 THR A 19 -7.307 -2.262 6.311 1.00 0.00 O ATOM 274 CG2 THR A 19 -9.614 -1.778 5.802 1.00 0.00 C ATOM 0 H THR A 19 -6.201 0.186 4.249 1.00 0.00 H new ATOM 0 HA THR A 19 -7.939 -2.160 3.716 1.00 0.00 H new ATOM 0 HB THR A 19 -8.051 -0.347 6.164 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.548 -2.340 7.258 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.881 -1.866 6.855 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.268 -1.051 5.321 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.730 -2.747 5.317 1.00 0.00 H new ATOM 282 N SER A 20 -9.537 -0.495 2.669 1.00 0.00 N ATOM 283 CA SER A 20 -10.373 0.492 1.996 1.00 0.00 C ATOM 284 C SER A 20 -11.674 -0.115 1.507 1.00 0.00 C ATOM 285 O SER A 20 -11.699 -1.226 0.977 1.00 0.00 O ATOM 286 CB SER A 20 -9.611 1.075 0.800 1.00 0.00 C ATOM 287 OG SER A 20 -10.234 2.284 0.392 1.00 0.00 O ATOM 0 H SER A 20 -9.710 -1.463 2.398 1.00 0.00 H new ATOM 0 HA SER A 20 -10.612 1.275 2.716 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.572 1.261 1.072 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.602 0.361 -0.023 1.00 0.00 H new ATOM 0 HG SER A 20 -11.096 2.378 0.849 1.00 0.00 H new ATOM 293 N THR A 21 -12.747 0.650 1.656 1.00 0.00 N ATOM 294 CA THR A 21 -14.053 0.217 1.193 1.00 0.00 C ATOM 295 C THR A 21 -14.104 0.389 -0.314 1.00 0.00 C ATOM 296 O THR A 21 -13.908 1.492 -0.821 1.00 0.00 O ATOM 297 CB THR A 21 -15.172 1.043 1.848 1.00 0.00 C ATOM 298 OG1 THR A 21 -14.962 1.078 3.253 1.00 0.00 O ATOM 299 CG2 THR A 21 -16.528 0.401 1.548 1.00 0.00 C ATOM 0 H THR A 21 -12.736 1.571 2.093 1.00 0.00 H new ATOM 0 HA THR A 21 -14.205 -0.827 1.466 1.00 0.00 H new ATOM 0 HB THR A 21 -15.160 2.057 1.449 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.672 1.605 3.677 1.00 0.00 H new ATOM 0 HG21 THR A 21 -17.320 0.988 2.013 1.00 0.00 H new ATOM 0 HG22 THR A 21 -16.685 0.370 0.470 1.00 0.00 H new ATOM 0 HG23 THR A 21 -16.547 -0.613 1.947 1.00 0.00 H new ATOM 307 N CYS A 22 -14.350 -0.707 -1.031 1.00 0.00 N ATOM 308 CA CYS A 22 -14.401 -0.674 -2.495 1.00 0.00 C ATOM 309 C CYS A 22 -15.738 -1.182 -3.006 1.00 0.00 C ATOM 310 O CYS A 22 -16.376 -2.035 -2.390 1.00 0.00 O ATOM 311 CB CYS A 22 -13.260 -1.523 -3.063 1.00 0.00 C ATOM 312 SG CYS A 22 -11.672 -0.873 -2.483 1.00 0.00 S ATOM 0 H CYS A 22 -14.517 -1.627 -0.625 1.00 0.00 H new ATOM 0 HA CYS A 22 -14.287 0.358 -2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -13.375 -2.561 -2.751 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -13.293 -1.512 -4.152 1.00 0.00 H new ATOM 317 N GLU A 23 -16.154 -0.627 -4.135 1.00 0.00 N ATOM 318 CA GLU A 23 -17.422 -0.988 -4.750 1.00 0.00 C ATOM 319 C GLU A 23 -17.332 -2.367 -5.397 1.00 0.00 C ATOM 320 O GLU A 23 -16.583 -2.561 -6.354 1.00 0.00 O ATOM 321 CB GLU A 23 -17.789 0.055 -5.815 1.00 0.00 C ATOM 322 CG GLU A 23 -17.738 1.470 -5.211 1.00 0.00 C ATOM 323 CD GLU A 23 -17.717 2.514 -6.330 1.00 0.00 C ATOM 324 OE1 GLU A 23 -18.377 2.296 -7.332 1.00 0.00 O ATOM 325 OE2 GLU A 23 -17.037 3.513 -6.166 1.00 0.00 O ATOM 0 H GLU A 23 -15.627 0.080 -4.647 1.00 0.00 H new ATOM 0 HA GLU A 23 -18.191 -1.014 -3.978 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -17.099 -0.015 -6.656 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -18.787 -0.147 -6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -18.603 1.631 -4.567 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -16.851 1.576 -4.586 1.00 0.00 H new ATOM 332 N ARG A 24 -18.102 -3.322 -4.877 1.00 0.00 N ATOM 333 CA ARG A 24 -18.092 -4.671 -5.434 1.00 0.00 C ATOM 334 C ARG A 24 -18.579 -4.648 -6.872 1.00 0.00 C ATOM 335 O ARG A 24 -19.270 -3.719 -7.290 1.00 0.00 O ATOM 336 CB ARG A 24 -18.991 -5.611 -4.623 1.00 0.00 C ATOM 337 CG ARG A 24 -18.537 -5.657 -3.154 1.00 0.00 C ATOM 338 CD ARG A 24 -19.136 -6.892 -2.438 1.00 0.00 C ATOM 339 NE ARG A 24 -18.115 -7.983 -2.419 1.00 0.00 N ATOM 340 CZ ARG A 24 -18.194 -8.949 -1.542 1.00 0.00 C ATOM 341 NH1 ARG A 24 -19.199 -8.996 -0.712 1.00 0.00 N ATOM 342 NH2 ARG A 24 -17.265 -9.864 -1.494 1.00 0.00 N ATOM 0 H ARG A 24 -18.730 -3.189 -4.084 1.00 0.00 H new ATOM 0 HA ARG A 24 -17.066 -5.037 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -20.026 -5.273 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -18.959 -6.613 -5.051 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -17.449 -5.694 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -18.849 -4.746 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -19.429 -6.632 -1.421 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -20.036 -7.227 -2.954 1.00 0.00 H new ATOM 0 HE ARG A 24 -17.351 -7.974 -3.095 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -19.923 -8.279 -0.747 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -19.260 -9.750 -0.028 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.477 -9.825 -2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.327 -10.618 -0.810 1.00 0.00 H new ATOM 356 N THR A 25 -18.222 -5.684 -7.627 1.00 0.00 N ATOM 357 CA THR A 25 -18.633 -5.793 -9.024 1.00 0.00 C ATOM 358 C THR A 25 -19.911 -6.619 -9.121 1.00 0.00 C ATOM 359 O THR A 25 -20.730 -6.416 -10.017 1.00 0.00 O ATOM 360 CB THR A 25 -17.534 -6.475 -9.860 1.00 0.00 C ATOM 361 OG1 THR A 25 -16.326 -5.734 -9.740 1.00 0.00 O ATOM 362 CG2 THR A 25 -17.959 -6.523 -11.328 1.00 0.00 C ATOM 0 H THR A 25 -17.649 -6.460 -7.295 1.00 0.00 H new ATOM 0 HA THR A 25 -18.806 -4.789 -9.411 1.00 0.00 H new ATOM 0 HB THR A 25 -17.379 -7.491 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 25 -15.623 -6.166 -10.269 1.00 0.00 H new ATOM 0 HG21 THR A 25 -17.179 -7.006 -11.917 1.00 0.00 H new ATOM 0 HG22 THR A 25 -18.886 -7.089 -11.420 1.00 0.00 H new ATOM 0 HG23 THR A 25 -18.115 -5.509 -11.695 1.00 0.00 H new ATOM 370 N ASN A 26 -20.079 -7.547 -8.178 1.00 0.00 N ATOM 371 CA ASN A 26 -21.265 -8.410 -8.136 1.00 0.00 C ATOM 372 C ASN A 26 -22.219 -7.916 -7.044 1.00 0.00 C ATOM 373 O ASN A 26 -23.359 -7.547 -7.320 1.00 0.00 O ATOM 374 CB ASN A 26 -20.829 -9.863 -7.857 1.00 0.00 C ATOM 375 CG ASN A 26 -21.885 -10.847 -8.374 1.00 0.00 C ATOM 376 OD1 ASN A 26 -22.931 -11.004 -7.777 1.00 0.00 O ATOM 377 ND2 ASN A 26 -21.649 -11.521 -9.467 1.00 0.00 N ATOM 0 H ASN A 26 -19.408 -7.722 -7.430 1.00 0.00 H new ATOM 0 HA ASN A 26 -21.784 -8.375 -9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -19.872 -10.061 -8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -20.683 -10.006 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -22.343 -12.180 -9.820 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -20.770 -11.389 -9.968 1.00 0.00 H new ATOM 384 N GLY A 27 -21.743 -7.935 -5.803 1.00 0.00 N ATOM 385 CA GLY A 27 -22.553 -7.501 -4.671 1.00 0.00 C ATOM 386 C GLY A 27 -22.627 -5.984 -4.548 1.00 0.00 C ATOM 387 O GLY A 27 -22.774 -5.273 -5.540 1.00 0.00 O ATOM 0 H GLY A 27 -20.803 -8.245 -5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -23.561 -7.903 -4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -22.138 -7.916 -3.752 1.00 0.00 H new ATOM 391 N GLY A 28 -22.545 -5.499 -3.305 1.00 0.00 N ATOM 392 CA GLY A 28 -22.615 -4.063 -3.015 1.00 0.00 C ATOM 393 C GLY A 28 -21.258 -3.485 -2.666 1.00 0.00 C ATOM 394 O GLY A 28 -20.438 -3.228 -3.547 1.00 0.00 O ATOM 0 H GLY A 28 -22.429 -6.085 -2.478 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -23.020 -3.538 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -23.304 -3.894 -2.188 1.00 0.00 H new ATOM 398 N TYR A 29 -21.026 -3.251 -1.371 1.00 0.00 N ATOM 399 CA TYR A 29 -19.760 -2.682 -0.897 1.00 0.00 C ATOM 400 C TYR A 29 -18.971 -3.728 -0.110 1.00 0.00 C ATOM 401 O TYR A 29 -19.546 -4.504 0.654 1.00 0.00 O ATOM 402 CB TYR A 29 -20.046 -1.487 0.017 1.00 0.00 C ATOM 403 CG TYR A 29 -20.857 -0.449 -0.733 1.00 0.00 C ATOM 404 CD1 TYR A 29 -20.283 0.230 -1.828 1.00 0.00 C ATOM 405 CD2 TYR A 29 -22.183 -0.152 -0.337 1.00 0.00 C ATOM 406 CE1 TYR A 29 -21.030 1.204 -2.526 1.00 0.00 C ATOM 407 CE2 TYR A 29 -22.928 0.822 -1.038 1.00 0.00 C ATOM 408 CZ TYR A 29 -22.351 1.500 -2.133 1.00 0.00 C ATOM 409 OH TYR A 29 -23.011 2.567 -2.707 1.00 0.00 O ATOM 0 H TYR A 29 -21.700 -3.447 -0.631 1.00 0.00 H new ATOM 0 HA TYR A 29 -19.176 -2.362 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -20.590 -1.817 0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -19.109 -1.050 0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -19.272 0.005 -2.133 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -22.625 -0.670 0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -20.588 1.724 -3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -23.940 1.048 -0.736 1.00 0.00 H new ATOM 0 HH TYR A 29 -23.912 2.636 -2.329 1.00 0.00 H new ATOM 419 N ASN A 30 -17.648 -3.739 -0.295 1.00 0.00 N ATOM 420 CA ASN A 30 -16.771 -4.689 0.405 1.00 0.00 C ATOM 421 C ASN A 30 -15.561 -3.961 0.976 1.00 0.00 C ATOM 422 O ASN A 30 -14.864 -3.242 0.260 1.00 0.00 O ATOM 423 CB ASN A 30 -16.295 -5.778 -0.564 1.00 0.00 C ATOM 424 CG ASN A 30 -15.254 -6.675 0.112 1.00 0.00 C ATOM 425 OD1 ASN A 30 -15.593 -7.673 0.717 1.00 0.00 O ATOM 426 ND2 ASN A 30 -13.991 -6.358 0.030 1.00 0.00 N ATOM 0 H ASN A 30 -17.158 -3.102 -0.923 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.334 -5.148 1.218 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.144 -6.378 -0.892 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.866 -5.319 -1.455 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.287 -6.948 0.474 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.707 -5.520 -0.478 1.00 0.00 H new ATOM 433 N THR A 31 -15.311 -4.166 2.270 1.00 0.00 N ATOM 434 CA THR A 31 -14.173 -3.540 2.948 1.00 0.00 C ATOM 435 C THR A 31 -13.156 -4.590 3.355 1.00 0.00 C ATOM 436 O THR A 31 -13.245 -5.181 4.431 1.00 0.00 O ATOM 437 CB THR A 31 -14.628 -2.774 4.204 1.00 0.00 C ATOM 438 OG1 THR A 31 -15.659 -1.862 3.851 1.00 0.00 O ATOM 439 CG2 THR A 31 -13.443 -2.003 4.789 1.00 0.00 C ATOM 0 H THR A 31 -15.881 -4.761 2.871 1.00 0.00 H new ATOM 0 HA THR A 31 -13.720 -2.839 2.247 1.00 0.00 H new ATOM 0 HB THR A 31 -15.003 -3.479 4.946 1.00 0.00 H new ATOM 0 HG1 THR A 31 -15.270 -0.979 3.680 1.00 0.00 H new ATOM 0 HG21 THR A 31 -13.765 -1.461 5.678 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.651 -2.702 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 31 -13.068 -1.296 4.049 1.00 0.00 H new ATOM 447 N SER A 32 -12.180 -4.808 2.477 1.00 0.00 N ATOM 448 CA SER A 32 -11.115 -5.778 2.723 1.00 0.00 C ATOM 449 C SER A 32 -9.802 -5.043 2.934 1.00 0.00 C ATOM 450 O SER A 32 -9.755 -3.813 2.902 1.00 0.00 O ATOM 451 CB SER A 32 -10.988 -6.727 1.526 1.00 0.00 C ATOM 452 OG SER A 32 -12.051 -7.669 1.563 1.00 0.00 O ATOM 0 H SER A 32 -12.104 -4.323 1.583 1.00 0.00 H new ATOM 0 HA SER A 32 -11.355 -6.359 3.614 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.018 -6.163 0.594 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.028 -7.242 1.555 1.00 0.00 H new ATOM 0 HG SER A 32 -11.976 -8.278 0.799 1.00 0.00 H new ATOM 458 N SER A 33 -8.732 -5.801 3.139 1.00 0.00 N ATOM 459 CA SER A 33 -7.417 -5.208 3.344 1.00 0.00 C ATOM 460 C SER A 33 -6.335 -6.104 2.767 1.00 0.00 C ATOM 461 O SER A 33 -6.518 -7.314 2.640 1.00 0.00 O ATOM 462 CB SER A 33 -7.165 -4.988 4.836 1.00 0.00 C ATOM 463 OG SER A 33 -7.252 -6.233 5.516 1.00 0.00 O ATOM 0 H SER A 33 -8.748 -6.820 3.168 1.00 0.00 H new ATOM 0 HA SER A 33 -7.389 -4.247 2.831 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.181 -4.545 4.989 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.896 -4.288 5.241 1.00 0.00 H new ATOM 0 HG SER A 33 -7.089 -6.095 6.473 1.00 0.00 H new ATOM 469 N ILE A 34 -5.206 -5.498 2.406 1.00 0.00 N ATOM 470 CA ILE A 34 -4.085 -6.240 1.827 1.00 0.00 C ATOM 471 C ILE A 34 -2.774 -5.781 2.452 1.00 0.00 C ATOM 472 O ILE A 34 -2.453 -4.592 2.452 1.00 0.00 O ATOM 473 CB ILE A 34 -4.032 -6.028 0.293 1.00 0.00 C ATOM 474 CG1 ILE A 34 -2.821 -6.754 -0.324 1.00 0.00 C ATOM 475 CG2 ILE A 34 -3.938 -4.532 -0.026 1.00 0.00 C ATOM 476 CD1 ILE A 34 -2.878 -8.262 -0.018 1.00 0.00 C ATOM 0 H ILE A 34 -5.042 -4.496 2.504 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.230 -7.300 2.034 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.945 -6.441 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.807 -6.597 -1.403 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.897 -6.332 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.901 -4.392 -1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.811 -4.019 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.035 -4.120 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.014 -8.756 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.868 -8.415 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.792 -8.684 -0.436 1.00 0.00 H new ATOM 488 N ASP A 35 -2.017 -6.733 2.987 1.00 0.00 N ATOM 489 CA ASP A 35 -0.744 -6.405 3.604 1.00 0.00 C ATOM 490 C ASP A 35 0.231 -5.943 2.530 1.00 0.00 C ATOM 491 O ASP A 35 0.548 -6.691 1.605 1.00 0.00 O ATOM 492 CB ASP A 35 -0.186 -7.624 4.363 1.00 0.00 C ATOM 493 CG ASP A 35 0.751 -7.162 5.488 1.00 0.00 C ATOM 494 OD1 ASP A 35 1.544 -6.267 5.243 1.00 0.00 O ATOM 495 OD2 ASP A 35 0.652 -7.705 6.576 1.00 0.00 O ATOM 0 H ASP A 35 -2.261 -7.723 3.005 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.886 -5.599 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.006 -8.209 4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.353 -8.275 3.675 1.00 0.00 H new ATOM 500 N LEU A 36 0.719 -4.719 2.666 1.00 0.00 N ATOM 501 CA LEU A 36 1.671 -4.188 1.706 1.00 0.00 C ATOM 502 C LEU A 36 3.021 -4.834 1.943 1.00 0.00 C ATOM 503 O LEU A 36 3.963 -4.628 1.184 1.00 0.00 O ATOM 504 CB LEU A 36 1.809 -2.671 1.883 1.00 0.00 C ATOM 505 CG LEU A 36 0.449 -1.976 1.719 1.00 0.00 C ATOM 506 CD1 LEU A 36 0.572 -0.519 2.181 1.00 0.00 C ATOM 507 CD2 LEU A 36 0.003 -2.009 0.245 1.00 0.00 C ATOM 0 H LEU A 36 0.474 -4.082 3.424 1.00 0.00 H new ATOM 0 HA LEU A 36 1.319 -4.402 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.218 -2.451 2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.514 -2.278 1.151 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.293 -2.499 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.390 -0.019 2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.873 -0.494 3.228 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.321 -0.007 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.962 -1.513 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.741 -1.494 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.086 -3.044 -0.085 1.00 0.00 H new ATOM 519 N ASN A 37 3.101 -5.623 3.008 1.00 0.00 N ATOM 520 CA ASN A 37 4.341 -6.293 3.355 1.00 0.00 C ATOM 521 C ASN A 37 4.662 -7.423 2.394 1.00 0.00 C ATOM 522 O ASN A 37 5.812 -7.843 2.307 1.00 0.00 O ATOM 523 CB ASN A 37 4.275 -6.850 4.778 1.00 0.00 C ATOM 524 CG ASN A 37 5.607 -7.529 5.117 1.00 0.00 C ATOM 525 OD1 ASN A 37 6.617 -6.801 5.506 1.00 0.00 O flip ATOM 526 ND2 ASN A 37 5.730 -8.733 5.015 1.00 0.00 N flip ATOM 0 H ASN A 37 2.324 -5.812 3.641 1.00 0.00 H new ATOM 0 HA ASN A 37 5.132 -5.546 3.288 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.072 -6.047 5.486 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.457 -7.565 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 37 4.940 -9.302 4.711 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.623 -9.175 5.234 1.00 0.00 H new ATOM 533 N SER A 38 3.665 -7.953 1.691 1.00 0.00 N ATOM 534 CA SER A 38 3.906 -9.063 0.773 1.00 0.00 C ATOM 535 C SER A 38 4.235 -8.566 -0.632 1.00 0.00 C ATOM 536 O SER A 38 4.396 -9.369 -1.550 1.00 0.00 O ATOM 537 CB SER A 38 2.653 -9.943 0.715 1.00 0.00 C ATOM 538 OG SER A 38 2.169 -10.156 2.035 1.00 0.00 O ATOM 0 H SER A 38 2.696 -7.638 1.737 1.00 0.00 H new ATOM 0 HA SER A 38 4.760 -9.632 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.886 -9.464 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.886 -10.897 0.242 1.00 0.00 H new ATOM 0 HG SER A 38 1.366 -10.717 2.003 1.00 0.00 H new ATOM 544 N VAL A 39 4.319 -7.244 -0.814 1.00 0.00 N ATOM 545 CA VAL A 39 4.614 -6.688 -2.142 1.00 0.00 C ATOM 546 C VAL A 39 5.470 -5.423 -2.052 1.00 0.00 C ATOM 547 O VAL A 39 5.598 -4.692 -3.030 1.00 0.00 O ATOM 548 CB VAL A 39 3.307 -6.367 -2.901 1.00 0.00 C ATOM 549 CG1 VAL A 39 2.615 -7.673 -3.297 1.00 0.00 C ATOM 550 CG2 VAL A 39 2.366 -5.560 -2.003 1.00 0.00 C ATOM 0 H VAL A 39 4.190 -6.551 -0.077 1.00 0.00 H new ATOM 0 HA VAL A 39 5.177 -7.446 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 39 3.547 -5.786 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.693 -7.448 -3.833 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.276 -8.254 -3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.383 -8.248 -2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.447 -5.338 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.129 -6.139 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.851 -4.628 -1.713 1.00 0.00 H new ATOM 560 N ILE A 40 6.073 -5.179 -0.884 1.00 0.00 N ATOM 561 CA ILE A 40 6.943 -4.001 -0.696 1.00 0.00 C ATOM 562 C ILE A 40 8.201 -4.391 0.086 1.00 0.00 C ATOM 563 O ILE A 40 8.130 -5.133 1.058 1.00 0.00 O ATOM 564 CB ILE A 40 6.213 -2.857 0.063 1.00 0.00 C ATOM 565 CG1 ILE A 40 5.032 -2.304 -0.774 1.00 0.00 C ATOM 566 CG2 ILE A 40 7.191 -1.724 0.398 1.00 0.00 C ATOM 567 CD1 ILE A 40 5.492 -1.312 -1.857 1.00 0.00 C ATOM 0 H ILE A 40 5.980 -5.771 -0.059 1.00 0.00 H new ATOM 0 HA ILE A 40 7.213 -3.640 -1.688 1.00 0.00 H new ATOM 0 HB ILE A 40 5.818 -3.269 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.505 -3.134 -1.246 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.321 -1.810 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.662 -0.932 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.993 -2.110 1.027 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.613 -1.324 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.626 -0.955 -2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.995 -0.467 -1.387 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.181 -1.811 -2.538 1.00 0.00 H new ATOM 579 N ALA A 41 9.355 -3.869 -0.356 1.00 0.00 N ATOM 580 CA ALA A 41 10.651 -4.148 0.292 1.00 0.00 C ATOM 581 C ALA A 41 11.351 -2.836 0.675 1.00 0.00 C ATOM 582 O ALA A 41 11.237 -1.833 -0.032 1.00 0.00 O ATOM 583 CB ALA A 41 11.534 -4.948 -0.668 1.00 0.00 C ATOM 0 H ALA A 41 9.420 -3.248 -1.163 1.00 0.00 H new ATOM 0 HA ALA A 41 10.479 -4.726 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.493 -5.156 -0.193 1.00 0.00 H new ATOM 0 HB2 ALA A 41 11.041 -5.888 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.698 -4.371 -1.578 1.00 0.00 H new ATOM 589 N ALA A 42 12.088 -2.857 1.793 1.00 0.00 N ATOM 590 CA ALA A 42 12.824 -1.670 2.262 1.00 0.00 C ATOM 591 C ALA A 42 14.297 -1.781 1.885 1.00 0.00 C ATOM 592 O ALA A 42 15.011 -2.635 2.410 1.00 0.00 O ATOM 593 CB ALA A 42 12.719 -1.543 3.778 1.00 0.00 C ATOM 0 H ALA A 42 12.192 -3.678 2.389 1.00 0.00 H new ATOM 0 HA ALA A 42 12.385 -0.792 1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.268 -0.661 4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.671 -1.446 4.063 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.142 -2.431 4.248 1.00 0.00 H new ATOM 599 N VAL A 43 14.748 -0.926 0.965 1.00 0.00 N ATOM 600 CA VAL A 43 16.147 -0.945 0.516 1.00 0.00 C ATOM 601 C VAL A 43 16.750 0.463 0.535 1.00 0.00 C ATOM 602 O VAL A 43 16.373 1.328 -0.254 1.00 0.00 O ATOM 603 CB VAL A 43 16.254 -1.546 -0.910 1.00 0.00 C ATOM 604 CG1 VAL A 43 15.268 -0.860 -1.866 1.00 0.00 C ATOM 605 CG2 VAL A 43 17.686 -1.391 -1.445 1.00 0.00 C ATOM 0 H VAL A 43 14.171 -0.214 0.517 1.00 0.00 H new ATOM 0 HA VAL A 43 16.710 -1.572 1.208 1.00 0.00 H new ATOM 0 HB VAL A 43 16.004 -2.605 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.361 -1.298 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 43 14.250 -1.000 -1.501 1.00 0.00 H new ATOM 0 HG13 VAL A 43 15.492 0.206 -1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.748 -1.817 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 43 17.948 -0.334 -1.483 1.00 0.00 H new ATOM 0 HG23 VAL A 43 18.379 -1.913 -0.785 1.00 0.00 H new ATOM 615 N ASP A 44 17.690 0.679 1.455 1.00 0.00 N ATOM 616 CA ASP A 44 18.356 1.972 1.589 1.00 0.00 C ATOM 617 C ASP A 44 17.351 3.090 1.843 1.00 0.00 C ATOM 618 O ASP A 44 17.598 4.245 1.499 1.00 0.00 O ATOM 619 CB ASP A 44 19.186 2.278 0.329 1.00 0.00 C ATOM 620 CG ASP A 44 20.484 1.463 0.352 1.00 0.00 C ATOM 621 OD1 ASP A 44 20.404 0.263 0.551 1.00 0.00 O ATOM 622 OD2 ASP A 44 21.535 2.058 0.175 1.00 0.00 O ATOM 0 H ASP A 44 18.007 -0.027 2.119 1.00 0.00 H new ATOM 0 HA ASP A 44 19.023 1.918 2.450 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.610 2.037 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 44 19.415 3.343 0.283 1.00 0.00 H new ATOM 627 N GLY A 45 16.226 2.750 2.460 1.00 0.00 N ATOM 628 CA GLY A 45 15.213 3.741 2.763 1.00 0.00 C ATOM 629 C GLY A 45 14.348 4.054 1.563 1.00 0.00 C ATOM 630 O GLY A 45 13.928 5.194 1.371 1.00 0.00 O ATOM 0 H GLY A 45 15.997 1.801 2.757 1.00 0.00 H new ATOM 0 HA2 GLY A 45 14.585 3.380 3.578 1.00 0.00 H new ATOM 0 HA3 GLY A 45 15.693 4.655 3.112 1.00 0.00 H new ATOM 634 N SER A 46 14.079 3.035 0.748 1.00 0.00 N ATOM 635 CA SER A 46 13.255 3.204 -0.452 1.00 0.00 C ATOM 636 C SER A 46 12.276 2.047 -0.594 1.00 0.00 C ATOM 637 O SER A 46 12.675 0.883 -0.627 1.00 0.00 O ATOM 638 CB SER A 46 14.148 3.261 -1.692 1.00 0.00 C ATOM 639 OG SER A 46 14.976 4.415 -1.626 1.00 0.00 O ATOM 0 H SER A 46 14.418 2.084 0.895 1.00 0.00 H new ATOM 0 HA SER A 46 12.696 4.135 -0.357 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.762 2.362 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.536 3.290 -2.593 1.00 0.00 H new ATOM 0 HG SER A 46 15.550 4.452 -2.420 1.00 0.00 H new ATOM 645 N LEU A 47 10.990 2.375 -0.690 1.00 0.00 N ATOM 646 CA LEU A 47 9.957 1.353 -0.846 1.00 0.00 C ATOM 647 C LEU A 47 9.814 0.985 -2.316 1.00 0.00 C ATOM 648 O LEU A 47 9.491 1.832 -3.150 1.00 0.00 O ATOM 649 CB LEU A 47 8.612 1.865 -0.323 1.00 0.00 C ATOM 650 CG LEU A 47 8.719 2.244 1.161 1.00 0.00 C ATOM 651 CD1 LEU A 47 7.375 2.819 1.621 1.00 0.00 C ATOM 652 CD2 LEU A 47 9.076 1.007 2.015 1.00 0.00 C ATOM 0 H LEU A 47 10.640 3.333 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 47 10.252 0.474 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.296 2.732 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.849 1.098 -0.454 1.00 0.00 H new ATOM 0 HG LEU A 47 9.508 2.985 1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.438 3.092 2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.136 3.703 1.030 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.594 2.071 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.147 1.297 3.063 1.00 0.00 H new ATOM 0 HD22 LEU A 47 8.301 0.249 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.032 0.601 1.685 1.00 0.00 H new ATOM 664 N LYS A 48 10.056 -0.289 -2.627 1.00 0.00 N ATOM 665 CA LYS A 48 9.955 -0.791 -4.003 1.00 0.00 C ATOM 666 C LYS A 48 8.944 -1.930 -4.045 1.00 0.00 C ATOM 667 O LYS A 48 8.801 -2.669 -3.077 1.00 0.00 O ATOM 668 CB LYS A 48 11.326 -1.295 -4.508 1.00 0.00 C ATOM 669 CG LYS A 48 12.466 -0.343 -4.088 1.00 0.00 C ATOM 670 CD LYS A 48 12.481 0.924 -4.967 1.00 0.00 C ATOM 671 CE LYS A 48 13.099 0.636 -6.349 1.00 0.00 C ATOM 672 NZ LYS A 48 13.570 1.916 -6.947 1.00 0.00 N ATOM 0 H LYS A 48 10.325 -0.997 -1.943 1.00 0.00 H new ATOM 0 HA LYS A 48 9.630 0.023 -4.651 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.518 -2.292 -4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 48 11.305 -1.383 -5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.343 -0.063 -3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.423 -0.858 -4.170 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.464 1.296 -5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.049 1.709 -4.468 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.930 -0.062 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.362 0.165 -7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.989 1.730 -7.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.766 2.567 -7.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.285 2.347 -6.327 1.00 0.00 H new ATOM 686 N TRP A 49 8.238 -2.056 -5.163 1.00 0.00 N ATOM 687 CA TRP A 49 7.229 -3.101 -5.305 1.00 0.00 C ATOM 688 C TRP A 49 7.863 -4.480 -5.447 1.00 0.00 C ATOM 689 O TRP A 49 9.061 -4.648 -5.230 1.00 0.00 O ATOM 690 CB TRP A 49 6.349 -2.803 -6.523 1.00 0.00 C ATOM 691 CG TRP A 49 5.513 -1.607 -6.224 1.00 0.00 C ATOM 692 CD1 TRP A 49 5.696 -0.375 -6.748 1.00 0.00 C ATOM 693 CD2 TRP A 49 4.371 -1.516 -5.333 1.00 0.00 C ATOM 694 NE1 TRP A 49 4.749 0.480 -6.216 1.00 0.00 N ATOM 695 CE2 TRP A 49 3.905 -0.176 -5.344 1.00 0.00 C ATOM 696 CE3 TRP A 49 3.696 -2.459 -4.514 1.00 0.00 C ATOM 697 CZ2 TRP A 49 2.812 0.221 -4.570 1.00 0.00 C ATOM 698 CZ3 TRP A 49 2.585 -2.063 -3.736 1.00 0.00 C ATOM 699 CH2 TRP A 49 2.145 -0.724 -3.761 1.00 0.00 C ATOM 0 H TRP A 49 8.344 -1.453 -5.979 1.00 0.00 H new ATOM 0 HA TRP A 49 6.620 -3.108 -4.401 1.00 0.00 H new ATOM 0 HB2 TRP A 49 6.968 -2.622 -7.402 1.00 0.00 H new ATOM 0 HB3 TRP A 49 5.715 -3.660 -6.751 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.457 -0.103 -7.465 1.00 0.00 H new ATOM 0 HE1 TRP A 49 4.683 1.473 -6.440 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.034 -3.485 -4.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.478 1.248 -4.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.072 -2.788 -3.121 1.00 0.00 H new ATOM 0 HH2 TRP A 49 1.299 -0.422 -3.162 1.00 0.00 H new ATOM 710 N GLN A 50 7.032 -5.465 -5.805 1.00 0.00 N ATOM 711 CA GLN A 50 7.482 -6.850 -5.976 1.00 0.00 C ATOM 712 C GLN A 50 8.530 -7.226 -4.934 1.00 0.00 C ATOM 713 O GLN A 50 9.524 -7.881 -5.246 1.00 0.00 O ATOM 714 CB GLN A 50 8.044 -7.070 -7.388 1.00 0.00 C ATOM 715 CG GLN A 50 9.213 -6.112 -7.666 1.00 0.00 C ATOM 716 CD GLN A 50 9.929 -6.543 -8.947 1.00 0.00 C ATOM 717 OE1 GLN A 50 9.669 -6.015 -10.009 1.00 0.00 O ATOM 718 NE2 GLN A 50 10.827 -7.488 -8.890 1.00 0.00 N ATOM 0 H GLN A 50 6.037 -5.326 -5.983 1.00 0.00 H new ATOM 0 HA GLN A 50 6.614 -7.495 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 50 8.380 -8.101 -7.494 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.257 -6.914 -8.126 1.00 0.00 H new ATOM 0 HG2 GLN A 50 8.845 -5.091 -7.768 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.909 -6.117 -6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.045 -7.931 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 50 11.311 -7.783 -9.738 1.00 0.00 H new ATOM 727 N GLY A 51 8.300 -6.802 -3.694 1.00 0.00 N ATOM 728 CA GLY A 51 9.224 -7.086 -2.605 1.00 0.00 C ATOM 729 C GLY A 51 8.497 -7.400 -1.316 1.00 0.00 C ATOM 730 O GLY A 51 7.267 -7.378 -1.263 1.00 0.00 O ATOM 0 H GLY A 51 7.480 -6.260 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.859 -7.929 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.880 -6.229 -2.452 1.00 0.00 H new ATOM 734 N SER A 52 9.261 -7.697 -0.267 1.00 0.00 N ATOM 735 CA SER A 52 8.675 -8.022 1.030 1.00 0.00 C ATOM 736 C SER A 52 9.665 -7.736 2.157 1.00 0.00 C ATOM 737 O SER A 52 10.848 -7.494 1.918 1.00 0.00 O ATOM 738 CB SER A 52 8.258 -9.499 1.054 1.00 0.00 C ATOM 739 OG SER A 52 9.282 -10.285 0.462 1.00 0.00 O ATOM 0 H SER A 52 10.281 -7.719 -0.289 1.00 0.00 H new ATOM 0 HA SER A 52 7.795 -7.397 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.082 -9.823 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.322 -9.633 0.513 1.00 0.00 H new ATOM 0 HG SER A 52 9.020 -11.229 0.477 1.00 0.00 H new ATOM 745 N ASN A 53 9.166 -7.786 3.387 1.00 0.00 N ATOM 746 CA ASN A 53 10.006 -7.552 4.556 1.00 0.00 C ATOM 747 C ASN A 53 10.484 -6.090 4.605 1.00 0.00 C ATOM 748 O ASN A 53 11.682 -5.823 4.711 1.00 0.00 O ATOM 749 CB ASN A 53 11.208 -8.535 4.505 1.00 0.00 C ATOM 750 CG ASN A 53 11.548 -9.064 5.905 1.00 0.00 C ATOM 751 OD1 ASN A 53 10.916 -9.984 6.386 1.00 0.00 O ATOM 752 ND2 ASN A 53 12.525 -8.521 6.578 1.00 0.00 N ATOM 0 H ASN A 53 8.189 -7.985 3.600 1.00 0.00 H new ATOM 0 HA ASN A 53 9.431 -7.730 5.465 1.00 0.00 H new ATOM 0 HB2 ASN A 53 10.972 -9.370 3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.077 -8.030 4.082 1.00 0.00 H new ATOM 0 HD21 ASN A 53 12.759 -8.869 7.508 1.00 0.00 H new ATOM 0 HD22 ASN A 53 13.055 -7.749 6.174 1.00 0.00 H new ATOM 759 N PHE A 54 9.535 -5.141 4.542 1.00 0.00 N ATOM 760 CA PHE A 54 9.867 -3.704 4.593 1.00 0.00 C ATOM 761 C PHE A 54 9.408 -3.103 5.920 1.00 0.00 C ATOM 762 O PHE A 54 10.014 -2.165 6.433 1.00 0.00 O ATOM 763 CB PHE A 54 9.202 -2.961 3.402 1.00 0.00 C ATOM 764 CG PHE A 54 7.832 -2.422 3.767 1.00 0.00 C ATOM 765 CD1 PHE A 54 7.706 -1.178 4.420 1.00 0.00 C ATOM 766 CD2 PHE A 54 6.687 -3.165 3.444 1.00 0.00 C ATOM 767 CE1 PHE A 54 6.426 -0.682 4.751 1.00 0.00 C ATOM 768 CE2 PHE A 54 5.405 -2.673 3.767 1.00 0.00 C ATOM 769 CZ PHE A 54 5.274 -1.430 4.425 1.00 0.00 C ATOM 0 H PHE A 54 8.538 -5.339 4.456 1.00 0.00 H new ATOM 0 HA PHE A 54 10.948 -3.588 4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.843 -2.139 3.083 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.111 -3.641 2.555 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.588 -0.605 4.667 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.787 -4.118 2.946 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.328 0.269 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.526 -3.245 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.294 -1.053 4.678 1.00 0.00 H new ATOM 779 N ILE A 55 8.339 -3.663 6.471 1.00 0.00 N ATOM 780 CA ILE A 55 7.817 -3.178 7.738 1.00 0.00 C ATOM 781 C ILE A 55 8.819 -3.476 8.842 1.00 0.00 C ATOM 782 O ILE A 55 8.939 -2.731 9.814 1.00 0.00 O ATOM 783 CB ILE A 55 6.464 -3.843 8.077 1.00 0.00 C ATOM 784 CG1 ILE A 55 5.850 -3.190 9.331 1.00 0.00 C ATOM 785 CG2 ILE A 55 6.669 -5.341 8.335 1.00 0.00 C ATOM 786 CD1 ILE A 55 5.529 -1.699 9.075 1.00 0.00 C ATOM 0 H ILE A 55 7.823 -4.444 6.065 1.00 0.00 H new ATOM 0 HA ILE A 55 7.657 -2.103 7.655 1.00 0.00 H new ATOM 0 HB ILE A 55 5.788 -3.707 7.233 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.940 -3.719 9.613 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.542 -3.279 10.168 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.711 -5.804 8.573 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.087 -5.810 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 55 7.355 -5.476 9.171 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.097 -1.260 9.974 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.446 -1.169 8.817 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.818 -1.616 8.253 1.00 0.00 H new ATOM 798 N GLU A 56 9.546 -4.572 8.666 1.00 0.00 N ATOM 799 CA GLU A 56 10.555 -4.976 9.631 1.00 0.00 C ATOM 800 C GLU A 56 11.564 -3.850 9.833 1.00 0.00 C ATOM 801 O GLU A 56 12.109 -3.681 10.924 1.00 0.00 O ATOM 802 CB GLU A 56 11.282 -6.231 9.117 1.00 0.00 C ATOM 803 CG GLU A 56 10.345 -7.473 9.174 1.00 0.00 C ATOM 804 CD GLU A 56 10.596 -8.287 10.453 1.00 0.00 C ATOM 805 OE1 GLU A 56 11.752 -8.459 10.808 1.00 0.00 O ATOM 806 OE2 GLU A 56 9.629 -8.733 11.048 1.00 0.00 O ATOM 0 H GLU A 56 9.454 -5.195 7.864 1.00 0.00 H new ATOM 0 HA GLU A 56 10.072 -5.197 10.583 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.617 -6.069 8.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.172 -6.413 9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.304 -7.151 9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.512 -8.101 8.299 1.00 0.00 H new ATOM 813 N ALA A 57 11.819 -3.088 8.763 1.00 0.00 N ATOM 814 CA ALA A 57 12.781 -1.979 8.808 1.00 0.00 C ATOM 815 C ALA A 57 12.097 -0.636 8.557 1.00 0.00 C ATOM 816 O ALA A 57 12.753 0.328 8.161 1.00 0.00 O ATOM 817 CB ALA A 57 13.853 -2.202 7.753 1.00 0.00 C ATOM 0 H ALA A 57 11.373 -3.219 7.855 1.00 0.00 H new ATOM 0 HA ALA A 57 13.226 -1.954 9.803 1.00 0.00 H new ATOM 0 HB1 ALA A 57 14.569 -1.381 7.783 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.369 -3.141 7.952 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.390 -2.244 6.767 1.00 0.00 H new ATOM 823 N CYS A 58 10.782 -0.567 8.782 1.00 0.00 N ATOM 824 CA CYS A 58 10.041 0.684 8.567 1.00 0.00 C ATOM 825 C CYS A 58 8.921 0.846 9.590 1.00 0.00 C ATOM 826 O CYS A 58 8.421 -0.136 10.139 1.00 0.00 O ATOM 827 CB CYS A 58 9.443 0.704 7.160 1.00 0.00 C ATOM 828 SG CYS A 58 10.748 0.408 5.947 1.00 0.00 S ATOM 0 H CYS A 58 10.213 -1.349 9.108 1.00 0.00 H new ATOM 0 HA CYS A 58 10.742 1.510 8.684 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.669 -0.059 7.071 1.00 0.00 H new ATOM 0 HB3 CYS A 58 8.966 1.665 6.970 1.00 0.00 H new ATOM 833 N ARG A 59 8.524 2.100 9.835 1.00 0.00 N ATOM 834 CA ARG A 59 7.452 2.393 10.791 1.00 0.00 C ATOM 835 C ARG A 59 6.704 3.667 10.398 1.00 0.00 C ATOM 836 O ARG A 59 7.009 4.291 9.381 1.00 0.00 O ATOM 837 CB ARG A 59 8.023 2.550 12.213 1.00 0.00 C ATOM 838 CG ARG A 59 9.076 3.695 12.285 1.00 0.00 C ATOM 839 CD ARG A 59 10.497 3.138 12.131 1.00 0.00 C ATOM 840 NE ARG A 59 11.481 4.252 12.258 1.00 0.00 N ATOM 841 CZ ARG A 59 11.650 4.854 13.405 1.00 0.00 C ATOM 842 NH1 ARG A 59 11.086 4.381 14.483 1.00 0.00 N ATOM 843 NH2 ARG A 59 12.383 5.931 13.474 1.00 0.00 N ATOM 0 H ARG A 59 8.927 2.923 9.387 1.00 0.00 H new ATOM 0 HA ARG A 59 6.754 1.556 10.775 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.212 2.757 12.911 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.482 1.613 12.527 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.880 4.426 11.500 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.987 4.218 13.237 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.687 2.381 12.892 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.606 2.650 11.162 1.00 0.00 H new ATOM 0 HE ARG A 59 12.024 4.545 11.446 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.512 3.540 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.219 4.853 15.377 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.824 6.303 12.633 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.515 6.401 14.369 1.00 0.00 H new ATOM 857 N ASN A 60 5.726 4.048 11.219 1.00 0.00 N ATOM 858 CA ASN A 60 4.939 5.249 10.956 1.00 0.00 C ATOM 859 C ASN A 60 4.433 5.248 9.524 1.00 0.00 C ATOM 860 O ASN A 60 4.753 6.145 8.748 1.00 0.00 O ATOM 861 CB ASN A 60 5.792 6.501 11.185 1.00 0.00 C ATOM 862 CG ASN A 60 6.072 6.668 12.676 1.00 0.00 C ATOM 863 OD1 ASN A 60 5.204 7.065 13.427 1.00 0.00 O ATOM 864 ND2 ASN A 60 7.257 6.382 13.140 1.00 0.00 N ATOM 0 H ASN A 60 5.462 3.545 12.066 1.00 0.00 H new ATOM 0 HA ASN A 60 4.090 5.256 11.639 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.730 6.419 10.636 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.274 7.380 10.802 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.455 6.492 14.134 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.985 6.049 12.508 1.00 0.00 H new ATOM 871 N THR A 61 3.638 4.242 9.174 1.00 0.00 N ATOM 872 CA THR A 61 3.091 4.130 7.826 1.00 0.00 C ATOM 873 C THR A 61 1.633 4.592 7.815 1.00 0.00 C ATOM 874 O THR A 61 0.885 4.323 8.754 1.00 0.00 O ATOM 875 CB THR A 61 3.184 2.658 7.358 1.00 0.00 C ATOM 876 OG1 THR A 61 2.071 1.933 7.860 1.00 0.00 O ATOM 877 CG2 THR A 61 4.485 2.014 7.882 1.00 0.00 C ATOM 0 H THR A 61 3.358 3.492 9.806 1.00 0.00 H new ATOM 0 HA THR A 61 3.664 4.762 7.147 1.00 0.00 H new ATOM 0 HB THR A 61 3.185 2.632 6.268 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.647 1.437 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.539 0.978 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.344 2.565 7.499 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.492 2.043 8.972 1.00 0.00 H new ATOM 885 N GLN A 62 1.232 5.291 6.750 1.00 0.00 N ATOM 886 CA GLN A 62 -0.143 5.785 6.644 1.00 0.00 C ATOM 887 C GLN A 62 -0.511 6.108 5.196 1.00 0.00 C ATOM 888 O GLN A 62 0.315 5.994 4.291 1.00 0.00 O ATOM 889 CB GLN A 62 -0.328 7.048 7.501 1.00 0.00 C ATOM 890 CG GLN A 62 0.703 8.136 7.110 1.00 0.00 C ATOM 891 CD GLN A 62 0.144 9.528 7.440 1.00 0.00 C ATOM 892 OE1 GLN A 62 -0.992 9.828 7.125 1.00 0.00 O ATOM 893 NE2 GLN A 62 0.899 10.393 8.059 1.00 0.00 N ATOM 0 H GLN A 62 1.831 5.525 5.958 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.800 4.994 7.005 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.339 7.435 7.372 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.215 6.797 8.556 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.638 7.973 7.647 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.930 8.069 6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 62 1.852 10.142 8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.537 11.321 8.279 1.00 0.00 H new ATOM 902 N LEU A 63 -1.762 6.530 4.996 1.00 0.00 N ATOM 903 CA LEU A 63 -2.256 6.894 3.666 1.00 0.00 C ATOM 904 C LEU A 63 -2.028 8.380 3.421 1.00 0.00 C ATOM 905 O LEU A 63 -2.338 9.211 4.274 1.00 0.00 O ATOM 906 CB LEU A 63 -3.758 6.585 3.572 1.00 0.00 C ATOM 907 CG LEU A 63 -4.254 6.725 2.108 1.00 0.00 C ATOM 908 CD1 LEU A 63 -4.000 5.430 1.321 1.00 0.00 C ATOM 909 CD2 LEU A 63 -5.757 7.022 2.098 1.00 0.00 C ATOM 0 H LEU A 63 -2.453 6.628 5.740 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.718 6.317 2.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.950 5.574 3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.316 7.264 4.217 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.706 7.542 1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.355 5.551 0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.932 5.214 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.533 4.606 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.102 7.120 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.292 6.206 2.584 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.948 7.952 2.634 1.00 0.00 H new ATOM 921 N ALA A 64 -1.480 8.710 2.250 1.00 0.00 N ATOM 922 CA ALA A 64 -1.201 10.106 1.891 1.00 0.00 C ATOM 923 C ALA A 64 -1.860 10.471 0.562 1.00 0.00 C ATOM 924 O ALA A 64 -1.771 9.729 -0.412 1.00 0.00 O ATOM 925 CB ALA A 64 0.307 10.307 1.792 1.00 0.00 C ATOM 0 H ALA A 64 -1.220 8.032 1.533 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.613 10.755 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.519 11.342 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.768 10.078 2.752 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.713 9.645 1.027 1.00 0.00 H new ATOM 931 N GLY A 65 -2.503 11.637 0.535 1.00 0.00 N ATOM 932 CA GLY A 65 -3.155 12.128 -0.669 1.00 0.00 C ATOM 933 C GLY A 65 -4.405 11.353 -1.055 1.00 0.00 C ATOM 934 O GLY A 65 -5.503 11.902 -1.056 1.00 0.00 O ATOM 0 H GLY A 65 -2.584 12.259 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.419 13.176 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.446 12.089 -1.496 1.00 0.00 H new ATOM 938 N SER A 66 -4.223 10.077 -1.373 1.00 0.00 N ATOM 939 CA SER A 66 -5.351 9.227 -1.768 1.00 0.00 C ATOM 940 C SER A 66 -4.921 7.785 -1.996 1.00 0.00 C ATOM 941 O SER A 66 -5.541 6.856 -1.477 1.00 0.00 O ATOM 942 CB SER A 66 -5.982 9.766 -3.062 1.00 0.00 C ATOM 943 OG SER A 66 -6.731 10.939 -2.779 1.00 0.00 O ATOM 0 H SER A 66 -3.317 9.608 -1.367 1.00 0.00 H new ATOM 0 HA SER A 66 -6.075 9.247 -0.953 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.204 9.988 -3.792 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.629 9.009 -3.505 1.00 0.00 H new ATOM 0 HG SER A 66 -6.593 11.197 -1.844 1.00 0.00 H new ATOM 949 N SER A 67 -3.873 7.600 -2.796 1.00 0.00 N ATOM 950 CA SER A 67 -3.379 6.260 -3.114 1.00 0.00 C ATOM 951 C SER A 67 -1.866 6.198 -2.976 1.00 0.00 C ATOM 952 O SER A 67 -1.201 5.479 -3.711 1.00 0.00 O ATOM 953 CB SER A 67 -3.797 5.886 -4.547 1.00 0.00 C ATOM 954 OG SER A 67 -2.706 6.080 -5.441 1.00 0.00 O ATOM 0 H SER A 67 -3.350 8.358 -3.235 1.00 0.00 H new ATOM 0 HA SER A 67 -3.814 5.548 -2.412 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.123 4.847 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.645 6.496 -4.858 1.00 0.00 H new ATOM 0 HG SER A 67 -1.953 5.516 -5.166 1.00 0.00 H new ATOM 960 N GLU A 68 -1.330 6.940 -2.010 1.00 0.00 N ATOM 961 CA GLU A 68 0.113 6.943 -1.749 1.00 0.00 C ATOM 962 C GLU A 68 0.352 6.419 -0.346 1.00 0.00 C ATOM 963 O GLU A 68 -0.536 6.486 0.505 1.00 0.00 O ATOM 964 CB GLU A 68 0.694 8.354 -1.896 1.00 0.00 C ATOM 965 CG GLU A 68 0.260 8.958 -3.242 1.00 0.00 C ATOM 966 CD GLU A 68 1.156 10.150 -3.601 1.00 0.00 C ATOM 967 OE1 GLU A 68 2.326 10.115 -3.256 1.00 0.00 O ATOM 968 OE2 GLU A 68 0.657 11.073 -4.222 1.00 0.00 O ATOM 0 H GLU A 68 -1.870 7.548 -1.394 1.00 0.00 H new ATOM 0 HA GLU A 68 0.613 6.303 -2.476 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.352 8.986 -1.076 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.782 8.317 -1.837 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.318 8.201 -4.024 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.780 9.279 -3.186 1.00 0.00 H new ATOM 975 N LEU A 69 1.547 5.882 -0.109 1.00 0.00 N ATOM 976 CA LEU A 69 1.895 5.322 1.200 1.00 0.00 C ATOM 977 C LEU A 69 3.144 5.985 1.741 1.00 0.00 C ATOM 978 O LEU A 69 4.253 5.691 1.309 1.00 0.00 O ATOM 979 CB LEU A 69 2.100 3.803 1.052 1.00 0.00 C ATOM 980 CG LEU A 69 2.638 3.128 2.346 1.00 0.00 C ATOM 981 CD1 LEU A 69 4.180 3.281 2.497 1.00 0.00 C ATOM 982 CD2 LEU A 69 1.922 3.696 3.584 1.00 0.00 C ATOM 0 H LEU A 69 2.291 5.822 -0.804 1.00 0.00 H new ATOM 0 HA LEU A 69 1.088 5.508 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.153 3.340 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.797 3.615 0.235 1.00 0.00 H new ATOM 0 HG LEU A 69 2.426 2.062 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.506 2.793 3.416 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.677 2.818 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.438 4.339 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.309 3.214 4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.097 4.770 3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.852 3.507 3.504 1.00 0.00 H new ATOM 994 N ALA A 70 2.942 6.871 2.711 1.00 0.00 N ATOM 995 CA ALA A 70 4.046 7.577 3.352 1.00 0.00 C ATOM 996 C ALA A 70 4.523 6.776 4.554 1.00 0.00 C ATOM 997 O ALA A 70 3.715 6.311 5.356 1.00 0.00 O ATOM 998 CB ALA A 70 3.588 8.956 3.799 1.00 0.00 C ATOM 0 H ALA A 70 2.020 7.118 3.072 1.00 0.00 H new ATOM 0 HA ALA A 70 4.865 7.691 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.417 9.478 4.277 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.251 9.526 2.933 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.766 8.854 4.508 1.00 0.00 H new ATOM 1004 N ALA A 71 5.833 6.611 4.674 1.00 0.00 N ATOM 1005 CA ALA A 71 6.394 5.854 5.786 1.00 0.00 C ATOM 1006 C ALA A 71 7.876 6.142 5.931 1.00 0.00 C ATOM 1007 O ALA A 71 8.501 6.688 5.024 1.00 0.00 O ATOM 1008 CB ALA A 71 6.190 4.368 5.550 1.00 0.00 C ATOM 0 H ALA A 71 6.522 6.987 4.022 1.00 0.00 H new ATOM 0 HA ALA A 71 5.884 6.154 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.611 3.806 6.384 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.124 4.155 5.470 1.00 0.00 H new ATOM 0 HB3 ALA A 71 6.689 4.075 4.626 1.00 0.00 H new ATOM 1014 N GLU A 72 8.438 5.760 7.078 1.00 0.00 N ATOM 1015 CA GLU A 72 9.862 5.966 7.344 1.00 0.00 C ATOM 1016 C GLU A 72 10.594 4.626 7.310 1.00 0.00 C ATOM 1017 O GLU A 72 10.211 3.689 8.004 1.00 0.00 O ATOM 1018 CB GLU A 72 10.049 6.640 8.721 1.00 0.00 C ATOM 1019 CG GLU A 72 9.839 8.165 8.620 1.00 0.00 C ATOM 1020 CD GLU A 72 10.381 8.851 9.880 1.00 0.00 C ATOM 1021 OE1 GLU A 72 11.388 8.393 10.395 1.00 0.00 O ATOM 1022 OE2 GLU A 72 9.783 9.826 10.303 1.00 0.00 O ATOM 0 H GLU A 72 7.930 5.307 7.837 1.00 0.00 H new ATOM 0 HA GLU A 72 10.279 6.617 6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.343 6.218 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.049 6.431 9.100 1.00 0.00 H new ATOM 0 HG2 GLU A 72 10.347 8.553 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.779 8.388 8.502 1.00 0.00 H new ATOM 1029 N CYS A 73 11.650 4.548 6.491 1.00 0.00 N ATOM 1030 CA CYS A 73 12.446 3.318 6.353 1.00 0.00 C ATOM 1031 C CYS A 73 13.920 3.595 6.638 1.00 0.00 C ATOM 1032 O CYS A 73 14.454 4.636 6.258 1.00 0.00 O ATOM 1033 CB CYS A 73 12.297 2.768 4.935 1.00 0.00 C ATOM 1034 SG CYS A 73 10.666 2.024 4.746 1.00 0.00 S ATOM 0 H CYS A 73 11.975 5.322 5.912 1.00 0.00 H new ATOM 0 HA CYS A 73 12.082 2.586 7.074 1.00 0.00 H new ATOM 0 HB2 CYS A 73 12.430 3.569 4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 73 13.071 2.027 4.738 1.00 0.00 H new ATOM 1039 N LYS A 74 14.562 2.651 7.323 1.00 0.00 N ATOM 1040 CA LYS A 74 15.972 2.785 7.686 1.00 0.00 C ATOM 1041 C LYS A 74 16.884 2.590 6.473 1.00 0.00 C ATOM 1042 O LYS A 74 16.772 1.607 5.741 1.00 0.00 O ATOM 1043 CB LYS A 74 16.315 1.756 8.802 1.00 0.00 C ATOM 1044 CG LYS A 74 16.831 2.469 10.061 1.00 0.00 C ATOM 1045 CD LYS A 74 16.974 1.455 11.199 1.00 0.00 C ATOM 1046 CE LYS A 74 17.528 2.143 12.455 1.00 0.00 C ATOM 1047 NZ LYS A 74 17.155 1.342 13.654 1.00 0.00 N ATOM 0 H LYS A 74 14.128 1.784 7.638 1.00 0.00 H new ATOM 0 HA LYS A 74 16.142 3.795 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 74 15.429 1.170 9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.069 1.057 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 74 17.792 2.940 9.857 1.00 0.00 H new ATOM 0 HG3 LYS A 74 16.142 3.262 10.351 1.00 0.00 H new ATOM 0 HD2 LYS A 74 16.006 1.005 11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 74 17.639 0.647 10.895 1.00 0.00 H new ATOM 0 HE2 LYS A 74 18.612 2.235 12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 74 17.127 3.153 12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.527 1.803 14.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.119 1.277 13.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.558 0.387 13.572 1.00 0.00 H new ATOM 1061 N THR A 75 17.787 3.547 6.281 1.00 0.00 N ATOM 1062 CA THR A 75 18.728 3.497 5.170 1.00 0.00 C ATOM 1063 C THR A 75 19.834 2.486 5.451 1.00 0.00 C ATOM 1064 O THR A 75 19.930 1.946 6.553 1.00 0.00 O ATOM 1065 CB THR A 75 19.368 4.876 4.921 1.00 0.00 C ATOM 1066 OG1 THR A 75 19.921 5.360 6.134 1.00 0.00 O ATOM 1067 CG2 THR A 75 18.307 5.855 4.414 1.00 0.00 C ATOM 0 H THR A 75 17.886 4.366 6.881 1.00 0.00 H new ATOM 0 HA THR A 75 18.169 3.196 4.284 1.00 0.00 H new ATOM 0 HB THR A 75 20.154 4.782 4.172 1.00 0.00 H new ATOM 0 HG1 THR A 75 20.694 5.929 5.937 1.00 0.00 H new ATOM 0 HG21 THR A 75 18.764 6.829 4.239 1.00 0.00 H new ATOM 0 HG22 THR A 75 17.883 5.481 3.482 1.00 0.00 H new ATOM 0 HG23 THR A 75 17.517 5.953 5.159 1.00 0.00 H new ATOM 1075 N ALA A 76 20.663 2.234 4.446 1.00 0.00 N ATOM 1076 CA ALA A 76 21.758 1.281 4.591 1.00 0.00 C ATOM 1077 C ALA A 76 22.679 1.684 5.740 1.00 0.00 C ATOM 1078 O ALA A 76 23.352 0.841 6.332 1.00 0.00 O ATOM 1079 CB ALA A 76 22.551 1.211 3.295 1.00 0.00 C ATOM 0 H ALA A 76 20.600 2.672 3.527 1.00 0.00 H new ATOM 0 HA ALA A 76 21.337 0.301 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 76 23.368 0.498 3.407 1.00 0.00 H new ATOM 0 HB2 ALA A 76 21.897 0.889 2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 76 22.957 2.196 3.063 1.00 0.00 H new ATOM 1085 N ALA A 77 22.707 2.979 6.046 1.00 0.00 N ATOM 1086 CA ALA A 77 23.553 3.492 7.124 1.00 0.00 C ATOM 1087 C ALA A 77 22.851 3.377 8.472 1.00 0.00 C ATOM 1088 O ALA A 77 23.489 3.468 9.522 1.00 0.00 O ATOM 1089 CB ALA A 77 23.898 4.948 6.852 1.00 0.00 C ATOM 0 H ALA A 77 22.157 3.691 5.566 1.00 0.00 H new ATOM 0 HA ALA A 77 24.465 2.895 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 77 24.528 5.329 7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 77 24.432 5.025 5.905 1.00 0.00 H new ATOM 0 HB3 ALA A 77 22.981 5.536 6.800 1.00 0.00 H new ATOM 1095 N GLY A 78 21.532 3.174 8.445 1.00 0.00 N ATOM 1096 CA GLY A 78 20.751 3.048 9.671 1.00 0.00 C ATOM 1097 C GLY A 78 20.042 4.344 10.030 1.00 0.00 C ATOM 1098 O GLY A 78 19.894 4.672 11.207 1.00 0.00 O ATOM 0 H GLY A 78 20.986 3.094 7.587 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.015 2.253 9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.407 2.755 10.490 1.00 0.00 H new ATOM 1102 N GLN A 79 19.597 5.082 9.006 1.00 0.00 N ATOM 1103 CA GLN A 79 18.891 6.358 9.209 1.00 0.00 C ATOM 1104 C GLN A 79 17.499 6.296 8.582 1.00 0.00 C ATOM 1105 O GLN A 79 17.352 5.985 7.401 1.00 0.00 O ATOM 1106 CB GLN A 79 19.703 7.510 8.576 1.00 0.00 C ATOM 1107 CG GLN A 79 18.833 8.772 8.422 1.00 0.00 C ATOM 1108 CD GLN A 79 19.713 9.980 8.106 1.00 0.00 C ATOM 1109 OE1 GLN A 79 20.899 9.969 8.365 1.00 0.00 O ATOM 1110 NE2 GLN A 79 19.173 11.031 7.552 1.00 0.00 N ATOM 0 H GLN A 79 19.712 4.819 8.027 1.00 0.00 H new ATOM 0 HA GLN A 79 18.786 6.538 10.279 1.00 0.00 H new ATOM 0 HB2 GLN A 79 20.570 7.734 9.197 1.00 0.00 H new ATOM 0 HB3 GLN A 79 20.081 7.202 7.601 1.00 0.00 H new ATOM 0 HG2 GLN A 79 18.103 8.625 7.626 1.00 0.00 H new ATOM 0 HG3 GLN A 79 18.272 8.951 9.339 1.00 0.00 H new ATOM 0 HE21 GLN A 79 18.176 11.038 7.335 1.00 0.00 H new ATOM 0 HE22 GLN A 79 19.748 11.845 7.336 1.00 0.00 H new ATOM 1119 N PHE A 80 16.483 6.616 9.377 1.00 0.00 N ATOM 1120 CA PHE A 80 15.107 6.614 8.897 1.00 0.00 C ATOM 1121 C PHE A 80 14.833 7.865 8.057 1.00 0.00 C ATOM 1122 O PHE A 80 14.878 8.985 8.564 1.00 0.00 O ATOM 1123 CB PHE A 80 14.153 6.568 10.106 1.00 0.00 C ATOM 1124 CG PHE A 80 14.032 5.145 10.629 1.00 0.00 C ATOM 1125 CD1 PHE A 80 13.358 4.171 9.863 1.00 0.00 C ATOM 1126 CD2 PHE A 80 14.585 4.794 11.883 1.00 0.00 C ATOM 1127 CE1 PHE A 80 13.240 2.848 10.343 1.00 0.00 C ATOM 1128 CE2 PHE A 80 14.460 3.472 12.366 1.00 0.00 C ATOM 1129 CZ PHE A 80 13.793 2.498 11.592 1.00 0.00 C ATOM 0 H PHE A 80 16.587 6.880 10.357 1.00 0.00 H new ATOM 0 HA PHE A 80 14.945 5.738 8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 80 14.523 7.222 10.895 1.00 0.00 H new ATOM 0 HB3 PHE A 80 13.171 6.941 9.817 1.00 0.00 H new ATOM 0 HD1 PHE A 80 12.931 4.438 8.907 1.00 0.00 H new ATOM 0 HD2 PHE A 80 15.103 5.537 12.471 1.00 0.00 H new ATOM 0 HE1 PHE A 80 12.726 2.104 9.753 1.00 0.00 H new ATOM 0 HE2 PHE A 80 14.875 3.207 13.327 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.706 1.485 11.956 1.00 0.00 H new ATOM 1139 N VAL A 81 14.533 7.661 6.770 1.00 0.00 N ATOM 1140 CA VAL A 81 14.228 8.770 5.854 1.00 0.00 C ATOM 1141 C VAL A 81 12.742 8.753 5.521 1.00 0.00 C ATOM 1142 O VAL A 81 12.023 7.890 5.997 1.00 0.00 O ATOM 1143 CB VAL A 81 15.035 8.649 4.550 1.00 0.00 C ATOM 1144 CG1 VAL A 81 16.523 8.819 4.857 1.00 0.00 C ATOM 1145 CG2 VAL A 81 14.797 7.272 3.927 1.00 0.00 C ATOM 0 H VAL A 81 14.494 6.738 6.337 1.00 0.00 H new ATOM 0 HA VAL A 81 14.498 9.705 6.345 1.00 0.00 H new ATOM 0 HB VAL A 81 14.716 9.422 3.851 1.00 0.00 H new ATOM 0 HG11 VAL A 81 17.097 8.734 3.934 1.00 0.00 H new ATOM 0 HG12 VAL A 81 16.693 9.800 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.841 8.045 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 81 15.369 7.187 3.003 1.00 0.00 H new ATOM 0 HG22 VAL A 81 15.116 6.497 4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 81 13.736 7.150 3.709 1.00 0.00 H new ATOM 1155 N SER A 82 12.278 9.701 4.706 1.00 0.00 N ATOM 1156 CA SER A 82 10.856 9.764 4.338 1.00 0.00 C ATOM 1157 C SER A 82 10.601 9.080 3.001 1.00 0.00 C ATOM 1158 O SER A 82 11.024 9.576 1.958 1.00 0.00 O ATOM 1159 CB SER A 82 10.421 11.224 4.232 1.00 0.00 C ATOM 1160 OG SER A 82 11.137 11.848 3.174 1.00 0.00 O ATOM 0 H SER A 82 12.856 10.431 4.290 1.00 0.00 H new ATOM 0 HA SER A 82 10.285 9.249 5.111 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.349 11.284 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.612 11.742 5.172 1.00 0.00 H new ATOM 0 HG SER A 82 11.428 11.168 2.531 1.00 0.00 H new ATOM 1166 N THR A 83 9.927 7.927 3.032 1.00 0.00 N ATOM 1167 CA THR A 83 9.641 7.174 1.804 1.00 0.00 C ATOM 1168 C THR A 83 8.172 7.237 1.418 1.00 0.00 C ATOM 1169 O THR A 83 7.281 7.216 2.270 1.00 0.00 O ATOM 1170 CB THR A 83 9.999 5.692 1.974 1.00 0.00 C ATOM 1171 OG1 THR A 83 9.042 5.069 2.824 1.00 0.00 O ATOM 1172 CG2 THR A 83 11.398 5.549 2.585 1.00 0.00 C ATOM 0 H THR A 83 9.571 7.496 3.885 1.00 0.00 H new ATOM 0 HA THR A 83 10.246 7.637 1.025 1.00 0.00 H new ATOM 0 HB THR A 83 9.991 5.211 0.996 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.862 5.648 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 83 11.639 4.492 2.700 1.00 0.00 H new ATOM 0 HG22 THR A 83 12.131 6.019 1.929 1.00 0.00 H new ATOM 0 HG23 THR A 83 11.420 6.034 3.561 1.00 0.00 H new ATOM 1180 N LYS A 84 7.939 7.294 0.108 1.00 0.00 N ATOM 1181 CA LYS A 84 6.588 7.338 -0.444 1.00 0.00 C ATOM 1182 C LYS A 84 6.500 6.463 -1.689 1.00 0.00 C ATOM 1183 O LYS A 84 7.483 6.281 -2.406 1.00 0.00 O ATOM 1184 CB LYS A 84 6.168 8.795 -0.756 1.00 0.00 C ATOM 1185 CG LYS A 84 6.762 9.316 -2.086 1.00 0.00 C ATOM 1186 CD LYS A 84 8.299 9.305 -2.056 1.00 0.00 C ATOM 1187 CE LYS A 84 8.824 10.145 -0.877 1.00 0.00 C ATOM 1188 NZ LYS A 84 10.191 10.639 -1.196 1.00 0.00 N ATOM 0 H LYS A 84 8.677 7.311 -0.596 1.00 0.00 H new ATOM 0 HA LYS A 84 5.895 6.946 0.300 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.081 8.854 -0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.489 9.444 0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.408 8.698 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.407 10.330 -2.272 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.659 8.280 -1.968 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.689 9.701 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.156 10.985 -0.688 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.845 9.544 0.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.549 11.207 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.824 9.830 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.157 11.226 -2.054 1.00 0.00 H new ATOM 1202 N ILE A 85 5.315 5.925 -1.943 1.00 0.00 N ATOM 1203 CA ILE A 85 5.105 5.074 -3.107 1.00 0.00 C ATOM 1204 C ILE A 85 3.629 5.086 -3.486 1.00 0.00 C ATOM 1205 O ILE A 85 2.755 5.056 -2.619 1.00 0.00 O ATOM 1206 CB ILE A 85 5.598 3.635 -2.830 1.00 0.00 C ATOM 1207 CG1 ILE A 85 5.538 2.805 -4.122 1.00 0.00 C ATOM 1208 CG2 ILE A 85 4.753 2.968 -1.742 1.00 0.00 C ATOM 1209 CD1 ILE A 85 6.308 1.474 -3.950 1.00 0.00 C ATOM 0 H ILE A 85 4.488 6.061 -1.362 1.00 0.00 H new ATOM 0 HA ILE A 85 5.685 5.463 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 85 6.629 3.686 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.499 2.600 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 85 5.966 3.375 -4.947 1.00 0.00 H new ATOM 0 HG21 ILE A 85 5.120 1.957 -1.565 1.00 0.00 H new ATOM 0 HG22 ILE A 85 4.824 3.546 -0.821 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.713 2.926 -2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.254 0.900 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.351 1.685 -3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.862 0.898 -3.139 1.00 0.00 H new ATOM 1221 N ASN A 86 3.357 5.143 -4.786 1.00 0.00 N ATOM 1222 CA ASN A 86 1.982 5.178 -5.274 1.00 0.00 C ATOM 1223 C ASN A 86 1.365 3.785 -5.236 1.00 0.00 C ATOM 1224 O ASN A 86 1.745 2.906 -6.006 1.00 0.00 O ATOM 1225 CB ASN A 86 1.966 5.734 -6.700 1.00 0.00 C ATOM 1226 CG ASN A 86 0.529 6.020 -7.131 1.00 0.00 C ATOM 1227 OD1 ASN A 86 0.075 5.520 -8.141 1.00 0.00 O ATOM 1228 ND2 ASN A 86 -0.210 6.816 -6.408 1.00 0.00 N ATOM 0 H ASN A 86 4.067 5.166 -5.518 1.00 0.00 H new ATOM 0 HA ASN A 86 1.388 5.826 -4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.558 6.648 -6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 86 2.424 5.019 -7.383 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -1.169 7.019 -6.691 1.00 0.00 H new ATOM 0 HD22 ASN A 86 0.171 7.236 -5.560 1.00 0.00 H new ATOM 1235 N LEU A 87 0.388 3.612 -4.351 1.00 0.00 N ATOM 1236 CA LEU A 87 -0.319 2.345 -4.202 1.00 0.00 C ATOM 1237 C LEU A 87 -1.074 1.990 -5.479 1.00 0.00 C ATOM 1238 O LEU A 87 -1.236 0.818 -5.813 1.00 0.00 O ATOM 1239 CB LEU A 87 -1.306 2.476 -3.040 1.00 0.00 C ATOM 1240 CG LEU A 87 -0.549 2.711 -1.719 1.00 0.00 C ATOM 1241 CD1 LEU A 87 -1.553 3.081 -0.598 1.00 0.00 C ATOM 1242 CD2 LEU A 87 0.255 1.443 -1.321 1.00 0.00 C ATOM 0 H LEU A 87 0.065 4.344 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 87 0.402 1.551 -4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.990 3.303 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.911 1.573 -2.964 1.00 0.00 H new ATOM 0 HG LEU A 87 0.152 3.534 -1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.013 3.246 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.087 3.990 -0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.266 2.267 -0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.784 1.626 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.429 0.604 -1.193 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.975 1.208 -2.105 1.00 0.00 H new ATOM 1254 N ASP A 88 -1.526 3.016 -6.187 1.00 0.00 N ATOM 1255 CA ASP A 88 -2.267 2.818 -7.430 1.00 0.00 C ATOM 1256 C ASP A 88 -1.355 2.260 -8.524 1.00 0.00 C ATOM 1257 O ASP A 88 -1.829 1.851 -9.583 1.00 0.00 O ATOM 1258 CB ASP A 88 -2.873 4.165 -7.885 1.00 0.00 C ATOM 1259 CG ASP A 88 -4.206 4.438 -7.169 1.00 0.00 C ATOM 1260 OD1 ASP A 88 -4.847 3.488 -6.748 1.00 0.00 O ATOM 1261 OD2 ASP A 88 -4.566 5.598 -7.062 1.00 0.00 O ATOM 0 H ASP A 88 -1.394 3.993 -5.925 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.065 2.097 -7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.172 4.973 -7.676 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.031 4.151 -8.963 1.00 0.00 H new ATOM 1266 N ASP A 89 -0.054 2.254 -8.272 1.00 0.00 N ATOM 1267 CA ASP A 89 0.896 1.754 -9.261 1.00 0.00 C ATOM 1268 C ASP A 89 0.633 0.285 -9.584 1.00 0.00 C ATOM 1269 O ASP A 89 0.885 -0.164 -10.702 1.00 0.00 O ATOM 1270 CB ASP A 89 2.331 1.917 -8.742 1.00 0.00 C ATOM 1271 CG ASP A 89 3.323 1.800 -9.903 1.00 0.00 C ATOM 1272 OD1 ASP A 89 3.005 1.118 -10.863 1.00 0.00 O ATOM 1273 OD2 ASP A 89 4.382 2.402 -9.814 1.00 0.00 O ATOM 0 H ASP A 89 0.366 2.585 -7.403 1.00 0.00 H new ATOM 0 HA ASP A 89 0.769 2.336 -10.174 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.442 2.885 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.544 1.155 -7.992 1.00 0.00 H new ATOM 1278 N HIS A 90 0.137 -0.468 -8.600 1.00 0.00 N ATOM 1279 CA HIS A 90 -0.138 -1.896 -8.796 1.00 0.00 C ATOM 1280 C HIS A 90 -1.398 -2.329 -8.046 1.00 0.00 C ATOM 1281 O HIS A 90 -2.169 -3.145 -8.547 1.00 0.00 O ATOM 1282 CB HIS A 90 1.055 -2.719 -8.299 1.00 0.00 C ATOM 1283 CG HIS A 90 2.213 -2.581 -9.253 1.00 0.00 C ATOM 1284 ND1 HIS A 90 2.034 -2.334 -10.604 1.00 0.00 N ATOM 1285 CD2 HIS A 90 3.571 -2.665 -9.065 1.00 0.00 C ATOM 1286 CE1 HIS A 90 3.252 -2.284 -11.172 1.00 0.00 C ATOM 1287 NE2 HIS A 90 4.223 -2.480 -10.279 1.00 0.00 N ATOM 0 H HIS A 90 -0.081 -0.118 -7.667 1.00 0.00 H new ATOM 0 HA HIS A 90 -0.297 -2.068 -9.861 1.00 0.00 H new ATOM 0 HB2 HIS A 90 1.350 -2.382 -7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 90 0.771 -3.767 -8.209 1.00 0.00 H new ATOM 0 HD2 HIS A 90 4.058 -2.847 -8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 90 3.423 -2.107 -12.224 1.00 0.00 H new ATOM 0 HE2 HIS A 90 5.228 -2.492 -10.450 1.00 0.00 H new ATOM 1295 N ILE A 91 -1.604 -1.793 -6.846 1.00 0.00 N ATOM 1296 CA ILE A 91 -2.784 -2.161 -6.069 1.00 0.00 C ATOM 1297 C ILE A 91 -4.034 -1.860 -6.884 1.00 0.00 C ATOM 1298 O ILE A 91 -4.285 -0.714 -7.254 1.00 0.00 O ATOM 1299 CB ILE A 91 -2.857 -1.393 -4.729 1.00 0.00 C ATOM 1300 CG1 ILE A 91 -1.505 -1.481 -3.980 1.00 0.00 C ATOM 1301 CG2 ILE A 91 -3.985 -1.967 -3.861 1.00 0.00 C ATOM 1302 CD1 ILE A 91 -1.305 -2.854 -3.316 1.00 0.00 C ATOM 0 H ILE A 91 -0.985 -1.117 -6.398 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.716 -3.225 -5.843 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.067 -0.344 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -0.690 -1.294 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.459 -0.700 -3.221 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.032 -1.422 -2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.935 -1.866 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.790 -3.021 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -0.344 -2.873 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.105 -3.031 -2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.324 -3.633 -4.078 1.00 0.00 H new ATOM 1314 N ALA A 92 -4.809 -2.905 -7.175 1.00 0.00 N ATOM 1315 CA ALA A 92 -6.035 -2.775 -7.968 1.00 0.00 C ATOM 1316 C ALA A 92 -7.241 -3.215 -7.148 1.00 0.00 C ATOM 1317 O ALA A 92 -7.096 -3.745 -6.047 1.00 0.00 O ATOM 1318 CB ALA A 92 -5.926 -3.645 -9.211 1.00 0.00 C ATOM 0 H ALA A 92 -4.609 -3.858 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.163 -1.732 -8.256 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -6.837 -3.550 -9.803 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.071 -3.324 -9.806 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.792 -4.686 -8.916 1.00 0.00 H new ATOM 1324 N ASN A 93 -8.433 -3.003 -7.703 1.00 0.00 N ATOM 1325 CA ASN A 93 -9.680 -3.390 -7.039 1.00 0.00 C ATOM 1326 C ASN A 93 -10.360 -4.500 -7.831 1.00 0.00 C ATOM 1327 O ASN A 93 -10.780 -4.286 -8.968 1.00 0.00 O ATOM 1328 CB ASN A 93 -10.618 -2.190 -6.957 1.00 0.00 C ATOM 1329 CG ASN A 93 -11.827 -2.540 -6.085 1.00 0.00 C ATOM 1330 OD1 ASN A 93 -11.679 -3.116 -5.024 1.00 0.00 O ATOM 1331 ND2 ASN A 93 -13.024 -2.215 -6.489 1.00 0.00 N ATOM 0 H ASN A 93 -8.563 -2.564 -8.614 1.00 0.00 H new ATOM 0 HA ASN A 93 -9.450 -3.743 -6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.091 -1.332 -6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.948 -1.905 -7.956 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -13.836 -2.444 -5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -13.148 -1.732 -7.379 1.00 0.00 H new ATOM 1338 N ILE A 94 -10.466 -5.686 -7.231 1.00 0.00 N ATOM 1339 CA ILE A 94 -11.096 -6.836 -7.889 1.00 0.00 C ATOM 1340 C ILE A 94 -12.368 -7.243 -7.149 1.00 0.00 C ATOM 1341 O ILE A 94 -12.311 -7.845 -6.077 1.00 0.00 O ATOM 1342 CB ILE A 94 -10.138 -8.049 -7.902 1.00 0.00 C ATOM 1343 CG1 ILE A 94 -8.772 -7.639 -8.504 1.00 0.00 C ATOM 1344 CG2 ILE A 94 -10.765 -9.218 -8.697 1.00 0.00 C ATOM 1345 CD1 ILE A 94 -8.943 -6.963 -9.874 1.00 0.00 C ATOM 0 H ILE A 94 -10.124 -5.878 -6.289 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.335 -6.541 -8.911 1.00 0.00 H new ATOM 0 HB ILE A 94 -9.975 -8.385 -6.878 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.262 -6.959 -7.822 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.139 -8.520 -8.608 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -10.080 -10.066 -8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.705 -9.512 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -10.952 -8.901 -9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -7.965 -6.688 -10.269 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.431 -7.654 -10.562 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -9.555 -6.068 -9.764 1.00 0.00 H new ATOM 1357 N ASP A 95 -13.515 -6.918 -7.738 1.00 0.00 N ATOM 1358 CA ASP A 95 -14.806 -7.260 -7.144 1.00 0.00 C ATOM 1359 C ASP A 95 -14.959 -6.609 -5.761 1.00 0.00 C ATOM 1360 O ASP A 95 -15.667 -7.124 -4.895 1.00 0.00 O ATOM 1361 CB ASP A 95 -14.948 -8.811 -7.059 1.00 0.00 C ATOM 1362 CG ASP A 95 -16.094 -9.304 -7.957 1.00 0.00 C ATOM 1363 OD1 ASP A 95 -15.863 -9.464 -9.144 1.00 0.00 O ATOM 1364 OD2 ASP A 95 -17.180 -9.509 -7.439 1.00 0.00 O ATOM 0 H ASP A 95 -13.578 -6.419 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.605 -6.872 -7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.014 -9.283 -7.362 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.135 -9.108 -6.027 1.00 0.00 H new ATOM 1369 N GLY A 96 -14.309 -5.463 -5.573 1.00 0.00 N ATOM 1370 CA GLY A 96 -14.391 -4.735 -4.312 1.00 0.00 C ATOM 1371 C GLY A 96 -13.332 -5.164 -3.314 1.00 0.00 C ATOM 1372 O GLY A 96 -13.416 -4.833 -2.131 1.00 0.00 O ATOM 0 H GLY A 96 -13.720 -5.020 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.288 -3.668 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -15.378 -4.886 -3.875 1.00 0.00 H new ATOM 1376 N THR A 97 -12.329 -5.900 -3.790 1.00 0.00 N ATOM 1377 CA THR A 97 -11.235 -6.374 -2.930 1.00 0.00 C ATOM 1378 C THR A 97 -9.920 -5.768 -3.396 1.00 0.00 C ATOM 1379 O THR A 97 -9.727 -5.552 -4.586 1.00 0.00 O ATOM 1380 CB THR A 97 -11.115 -7.908 -2.994 1.00 0.00 C ATOM 1381 OG1 THR A 97 -10.669 -8.293 -4.287 1.00 0.00 O ATOM 1382 CG2 THR A 97 -12.480 -8.539 -2.715 1.00 0.00 C ATOM 0 H THR A 97 -12.247 -6.183 -4.766 1.00 0.00 H new ATOM 0 HA THR A 97 -11.453 -6.072 -1.906 1.00 0.00 H new ATOM 0 HB THR A 97 -10.399 -8.249 -2.246 1.00 0.00 H new ATOM 0 HG1 THR A 97 -11.441 -8.534 -4.841 1.00 0.00 H new ATOM 0 HG21 THR A 97 -12.395 -9.625 -2.760 1.00 0.00 H new ATOM 0 HG22 THR A 97 -12.822 -8.243 -1.723 1.00 0.00 H new ATOM 0 HG23 THR A 97 -13.197 -8.200 -3.462 1.00 0.00 H new ATOM 1390 N LEU A 98 -9.006 -5.506 -2.463 1.00 0.00 N ATOM 1391 CA LEU A 98 -7.706 -4.932 -2.816 1.00 0.00 C ATOM 1392 C LEU A 98 -6.704 -6.045 -3.096 1.00 0.00 C ATOM 1393 O LEU A 98 -6.469 -6.906 -2.249 1.00 0.00 O ATOM 1394 CB LEU A 98 -7.182 -4.063 -1.666 1.00 0.00 C ATOM 1395 CG LEU A 98 -8.251 -3.054 -1.219 1.00 0.00 C ATOM 1396 CD1 LEU A 98 -7.765 -2.335 0.044 1.00 0.00 C ATOM 1397 CD2 LEU A 98 -8.505 -2.021 -2.329 1.00 0.00 C ATOM 0 H LEU A 98 -9.138 -5.679 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.829 -4.318 -3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.898 -4.696 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.284 -3.533 -1.984 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.180 -3.585 -1.012 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.519 -1.617 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.596 -3.065 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.834 -1.811 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.264 -1.312 -1.999 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -7.580 -1.487 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.851 -2.531 -3.228 1.00 0.00 H new ATOM 1409 N LYS A 99 -6.111 -6.021 -4.288 1.00 0.00 N ATOM 1410 CA LYS A 99 -5.123 -7.032 -4.677 1.00 0.00 C ATOM 1411 C LYS A 99 -3.973 -6.377 -5.430 1.00 0.00 C ATOM 1412 O LYS A 99 -4.101 -5.265 -5.936 1.00 0.00 O ATOM 1413 CB LYS A 99 -5.777 -8.097 -5.564 1.00 0.00 C ATOM 1414 CG LYS A 99 -6.716 -8.967 -4.723 1.00 0.00 C ATOM 1415 CD LYS A 99 -7.457 -9.948 -5.644 1.00 0.00 C ATOM 1416 CE LYS A 99 -8.559 -10.704 -4.873 1.00 0.00 C ATOM 1417 NZ LYS A 99 -7.973 -11.916 -4.235 1.00 0.00 N ATOM 0 H LYS A 99 -6.295 -5.316 -5.001 1.00 0.00 H new ATOM 0 HA LYS A 99 -4.737 -7.506 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.333 -7.620 -6.371 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.011 -8.717 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.148 -9.514 -3.971 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -7.431 -8.341 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.900 -9.405 -6.479 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.749 -10.661 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.997 -10.056 -4.114 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -9.363 -10.989 -5.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.714 -12.427 -3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.574 -12.536 -4.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.221 -11.632 -3.576 1.00 0.00 H new ATOM 1431 N TYR A 100 -2.847 -7.079 -5.492 1.00 0.00 N ATOM 1432 CA TYR A 100 -1.659 -6.575 -6.178 1.00 0.00 C ATOM 1433 C TYR A 100 -1.628 -7.068 -7.622 1.00 0.00 C ATOM 1434 O TYR A 100 -1.831 -8.253 -7.886 1.00 0.00 O ATOM 1435 CB TYR A 100 -0.417 -7.062 -5.433 1.00 0.00 C ATOM 1436 CG TYR A 100 0.838 -6.622 -6.154 1.00 0.00 C ATOM 1437 CD1 TYR A 100 1.329 -5.313 -5.975 1.00 0.00 C ATOM 1438 CD2 TYR A 100 1.531 -7.527 -6.988 1.00 0.00 C ATOM 1439 CE1 TYR A 100 2.509 -4.909 -6.633 1.00 0.00 C ATOM 1440 CE2 TYR A 100 2.715 -7.121 -7.639 1.00 0.00 C ATOM 1441 CZ TYR A 100 3.202 -5.809 -7.465 1.00 0.00 C ATOM 1442 OH TYR A 100 4.439 -5.461 -7.968 1.00 0.00 O ATOM 0 H TYR A 100 -2.730 -8.002 -5.074 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.681 -5.485 -6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.417 -6.668 -4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.436 -8.149 -5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.802 -4.621 -5.335 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.155 -8.530 -7.127 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.883 -3.905 -6.498 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.249 -7.815 -8.271 1.00 0.00 H new ATOM 0 HH TYR A 100 4.784 -6.192 -8.523 1.00 0.00 H new ATOM 1452 N GLU A 101 -1.367 -6.149 -8.555 1.00 0.00 N ATOM 1453 CA GLU A 101 -1.301 -6.485 -9.983 1.00 0.00 C ATOM 1454 C GLU A 101 0.120 -6.284 -10.502 1.00 0.00 C ATOM 1455 O GLU A 101 0.913 -5.696 -9.785 1.00 0.00 O ATOM 1456 CB GLU A 101 -2.268 -5.591 -10.775 1.00 0.00 C ATOM 1457 CG GLU A 101 -3.713 -6.038 -10.526 1.00 0.00 C ATOM 1458 CD GLU A 101 -3.973 -7.362 -11.251 1.00 0.00 C ATOM 1459 OE1 GLU A 101 -3.933 -7.366 -12.471 1.00 0.00 O ATOM 1460 OE2 GLU A 101 -4.206 -8.349 -10.574 1.00 0.00 O ATOM 1461 OXT GLU A 101 0.387 -6.701 -11.617 1.00 0.00 O ATOM 0 H GLU A 101 -1.197 -5.165 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 101 -1.586 -7.529 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.143 -4.550 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -2.039 -5.646 -11.839 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -3.889 -6.157 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -4.407 -5.275 -10.880 1.00 0.00 H new