USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 608 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 16 THR OG1 : rot 18:sc= -0.458 USER MOD Set 1.2: A 20 HIS : no HD1:sc= -3.19! C(o=-3.8!,f=-4.8!) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.352 X(o=-3.8,f=-3.4) USER MOD Set 1.4: A 69 GLN : amide:sc= 0.24 X(o=-3.8,f=-3.4) USER MOD Set 2.1: A 23 GLN : amide:sc= -0.864! C(o=-6.6!,f=-8.5!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -5.76! C(o=-6.6!,f=-6.8!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ -133:sc= 0.787 (180deg=0.0243) USER MOD Set 3.2: A 8 ASN : amide:sc= 0.298 K(o=1.1,f=-4.4!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.01 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -1 GLN : amide:sc= -2.05! K(o=-2.1!,f=-0.24) USER MOD Single : A -2 TYR OH : rot 180:sc= 0 USER MOD Single : A -3 THR N :NH3+ -137:sc= 0.217 (180deg=9.76e-05) USER MOD Single : A -3 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 12 ASN : amide:sc= -4.92! C(o=-4.9!,f=-12!) USER MOD Single : A 18 SER OG : rot 120:sc= 1.21 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.0216 X(o=-0.022,f=-0.17) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0202 USER MOD Single : A 28 GLN : amide:sc= 0.521 K(o=0.52,f=-0.67) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-2.9) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.427 K(o=0.43,f=-1.5) USER MOD Single : A 43 SER OG : rot -39:sc= 0.24 USER MOD Single : A 44 LYS NZ :NH3+ 167:sc= 1.32 (180deg=1.17) USER MOD Single : A 45 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.1!) USER MOD Single : A 49 ASN : amide:sc= -5.95! K(o=-6!,f=-1.1) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 2.57 K(o=2.6,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 0.218 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-1.9) USER MOD Single : A 65 THR OG1 : rot -72:sc= -0.841 USER MOD Single : A 66 THR OG1 : rot 129:sc= -2.2! USER MOD Single : A 68 SER OG : rot -23:sc= 0.224 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0154 USER MOD Single : A 76 LYS NZ :NH3+ -158:sc= -0.154 (180deg=-0.678) USER MOD Single : A 79 SER OG : rot 17:sc= 0.241! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -3 14.798 21.989 -26.314 1.00 0.00 N ATOM 2 CA THR A -3 13.601 22.838 -26.158 1.00 0.00 C ATOM 3 C THR A -3 13.985 24.307 -26.024 1.00 0.00 C ATOM 4 O THR A -3 15.060 24.638 -25.514 1.00 0.00 O ATOM 5 CB THR A -3 12.783 22.416 -24.920 1.00 0.00 C ATOM 6 OG1 THR A -3 13.663 21.978 -23.875 1.00 0.00 O ATOM 7 CG2 THR A -3 11.793 21.313 -25.264 1.00 0.00 C ATOM 0 H1 THR A -3 14.625 21.278 -27.053 1.00 0.00 H new ATOM 0 H2 THR A -3 15.610 22.580 -26.585 1.00 0.00 H new ATOM 0 H3 THR A -3 15.004 21.510 -25.414 1.00 0.00 H new ATOM 0 HA THR A -3 12.993 22.707 -27.053 1.00 0.00 H new ATOM 0 HB THR A -3 12.218 23.283 -24.576 1.00 0.00 H new ATOM 0 HG1 THR A -3 13.136 21.714 -23.092 1.00 0.00 H new ATOM 0 HG21 THR A -3 11.231 21.037 -24.372 1.00 0.00 H new ATOM 0 HG22 THR A -3 11.104 21.668 -26.031 1.00 0.00 H new ATOM 0 HG23 THR A -3 12.333 20.443 -25.637 1.00 0.00 H new ATOM 17 N TYR A -2 13.117 25.184 -26.511 1.00 0.00 N ATOM 18 CA TYR A -2 13.299 26.614 -26.334 1.00 0.00 C ATOM 19 C TYR A -2 12.445 27.071 -25.157 1.00 0.00 C ATOM 20 O TYR A -2 12.662 28.136 -24.582 1.00 0.00 O ATOM 21 CB TYR A -2 12.914 27.373 -27.607 1.00 0.00 C ATOM 22 CG TYR A -2 13.498 28.766 -27.679 1.00 0.00 C ATOM 23 CD1 TYR A -2 14.802 28.962 -28.107 1.00 0.00 C ATOM 24 CD2 TYR A -2 12.753 29.881 -27.314 1.00 0.00 C ATOM 25 CE1 TYR A -2 15.350 30.226 -28.172 1.00 0.00 C ATOM 26 CE2 TYR A -2 13.294 31.150 -27.375 1.00 0.00 C ATOM 27 CZ TYR A -2 14.595 31.317 -27.805 1.00 0.00 C ATOM 28 OH TYR A -2 15.144 32.579 -27.866 1.00 0.00 O ATOM 0 H TYR A -2 12.279 24.927 -27.032 1.00 0.00 H new ATOM 0 HA TYR A -2 14.349 26.826 -26.131 1.00 0.00 H new ATOM 0 HB2 TYR A -2 13.246 26.803 -28.475 1.00 0.00 H new ATOM 0 HB3 TYR A -2 11.828 27.440 -27.666 1.00 0.00 H new ATOM 0 HD1 TYR A -2 15.399 28.110 -28.395 1.00 0.00 H new ATOM 0 HD2 TYR A -2 11.735 29.753 -26.977 1.00 0.00 H new ATOM 0 HE1 TYR A -2 16.367 30.359 -28.509 1.00 0.00 H new ATOM 0 HE2 TYR A -2 12.703 32.007 -27.088 1.00 0.00 H new ATOM 0 HH TYR A -2 14.481 33.239 -27.575 1.00 0.00 H new ATOM 38 N GLN A -1 11.471 26.237 -24.806 1.00 0.00 N ATOM 39 CA GLN A -1 10.646 26.467 -23.633 1.00 0.00 C ATOM 40 C GLN A -1 11.412 26.036 -22.389 1.00 0.00 C ATOM 41 O GLN A -1 12.366 25.265 -22.476 1.00 0.00 O ATOM 42 CB GLN A -1 9.341 25.675 -23.735 1.00 0.00 C ATOM 43 CG GLN A -1 8.573 25.934 -25.021 1.00 0.00 C ATOM 44 CD GLN A -1 7.884 24.696 -25.563 1.00 0.00 C ATOM 45 OE1 GLN A -1 6.809 24.779 -26.149 1.00 0.00 O ATOM 46 NE2 GLN A -1 8.515 23.541 -25.397 1.00 0.00 N ATOM 0 H GLN A -1 11.235 25.391 -25.324 1.00 0.00 H new ATOM 0 HA GLN A -1 10.405 27.528 -23.569 1.00 0.00 H new ATOM 0 HB2 GLN A -1 9.565 24.611 -23.663 1.00 0.00 H new ATOM 0 HB3 GLN A -1 8.706 25.925 -22.885 1.00 0.00 H new ATOM 0 HG2 GLN A -1 7.827 26.708 -24.842 1.00 0.00 H new ATOM 0 HG3 GLN A -1 9.259 26.320 -25.775 1.00 0.00 H new ATOM 0 HE21 GLN A -1 9.407 23.514 -24.904 1.00 0.00 H new ATOM 0 HE22 GLN A -1 8.108 22.680 -25.763 1.00 0.00 H new ATOM 55 N CYS A 1 10.979 26.509 -21.240 1.00 0.00 N ATOM 56 CA CYS A 1 11.700 26.262 -20.003 1.00 0.00 C ATOM 57 C CYS A 1 10.750 25.838 -18.890 1.00 0.00 C ATOM 58 O CYS A 1 9.531 25.824 -19.071 1.00 0.00 O ATOM 59 CB CYS A 1 12.483 27.511 -19.597 1.00 0.00 C ATOM 60 SG CYS A 1 11.461 29.004 -19.401 1.00 0.00 S ATOM 0 H CYS A 1 10.132 27.067 -21.133 1.00 0.00 H new ATOM 0 HA CYS A 1 12.401 25.444 -20.170 1.00 0.00 H new ATOM 0 HB2 CYS A 1 13.000 27.313 -18.658 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.249 27.705 -20.347 1.00 0.00 H new ATOM 65 N LEU A 2 11.322 25.471 -17.755 1.00 0.00 N ATOM 66 CA LEU A 2 10.550 24.973 -16.622 1.00 0.00 C ATOM 67 C LEU A 2 10.035 26.098 -15.729 1.00 0.00 C ATOM 68 O LEU A 2 10.670 27.143 -15.593 1.00 0.00 O ATOM 69 CB LEU A 2 11.420 24.025 -15.801 1.00 0.00 C ATOM 70 CG LEU A 2 10.753 23.386 -14.596 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.508 22.641 -15.026 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.725 22.458 -13.891 1.00 0.00 C ATOM 0 H LEU A 2 12.328 25.508 -17.591 1.00 0.00 H new ATOM 0 HA LEU A 2 9.679 24.450 -17.018 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.777 23.231 -16.457 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.297 24.574 -15.458 1.00 0.00 H new ATOM 0 HG LEU A 2 10.459 24.167 -13.895 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.037 22.186 -14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.811 23.336 -15.494 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.778 21.863 -15.740 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.236 22.006 -13.029 1.00 0.00 H new ATOM 0 HD22 LEU A 2 12.045 21.675 -14.579 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.594 23.026 -13.559 1.00 0.00 H new ATOM 84 N LYS A 3 8.878 25.854 -15.119 1.00 0.00 N ATOM 85 CA LYS A 3 8.277 26.769 -14.165 1.00 0.00 C ATOM 86 C LYS A 3 8.525 26.298 -12.731 1.00 0.00 C ATOM 87 O LYS A 3 7.596 26.212 -11.924 1.00 0.00 O ATOM 88 CB LYS A 3 6.768 26.853 -14.406 1.00 0.00 C ATOM 89 CG LYS A 3 6.112 25.495 -14.584 1.00 0.00 C ATOM 90 CD LYS A 3 4.610 25.519 -14.314 1.00 0.00 C ATOM 91 CE LYS A 3 4.299 25.976 -12.893 1.00 0.00 C ATOM 92 NZ LYS A 3 2.843 26.218 -12.681 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.331 25.008 -15.277 1.00 0.00 H new ATOM 0 HA LYS A 3 8.732 27.750 -14.302 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.301 27.367 -13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.582 27.458 -15.293 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.287 25.143 -15.601 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.585 24.778 -13.913 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.123 26.186 -15.025 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.195 24.524 -14.475 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.646 25.221 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.852 26.891 -12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.709 27.129 -12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.357 26.238 -13.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.446 25.455 -12.096 1.00 0.00 H new ATOM 106 N GLY A 4 9.767 25.970 -12.424 1.00 0.00 N ATOM 107 CA GLY A 4 10.104 25.508 -11.089 1.00 0.00 C ATOM 108 C GLY A 4 9.648 24.080 -10.842 1.00 0.00 C ATOM 109 O GLY A 4 10.388 23.136 -11.102 1.00 0.00 O ATOM 0 H GLY A 4 10.552 26.014 -13.073 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.183 25.573 -10.946 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.645 26.167 -10.352 1.00 0.00 H new ATOM 113 N THR A 5 8.426 23.917 -10.350 1.00 0.00 N ATOM 114 CA THR A 5 7.864 22.589 -10.133 1.00 0.00 C ATOM 115 C THR A 5 7.327 22.019 -11.443 1.00 0.00 C ATOM 116 O THR A 5 7.211 20.805 -11.592 1.00 0.00 O ATOM 117 CB THR A 5 6.735 22.624 -9.085 1.00 0.00 C ATOM 118 OG1 THR A 5 5.840 23.710 -9.369 1.00 0.00 O ATOM 119 CG2 THR A 5 7.300 22.764 -7.681 1.00 0.00 C ATOM 0 H THR A 5 7.806 24.686 -10.094 1.00 0.00 H new ATOM 0 HA THR A 5 8.663 21.949 -9.759 1.00 0.00 H new ATOM 0 HB THR A 5 6.187 21.683 -9.137 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.123 23.727 -8.701 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.483 22.786 -6.960 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.951 21.917 -7.465 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.872 23.689 -7.610 1.00 0.00 H new ATOM 127 N GLY A 6 7.012 22.908 -12.383 1.00 0.00 N ATOM 128 CA GLY A 6 6.620 22.498 -13.723 1.00 0.00 C ATOM 129 C GLY A 6 5.526 21.466 -13.752 1.00 0.00 C ATOM 130 O GLY A 6 5.751 20.326 -14.154 1.00 0.00 O ATOM 0 H GLY A 6 7.022 23.918 -12.238 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.292 23.376 -14.279 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.493 22.101 -14.240 1.00 0.00 H new ATOM 134 N GLU A 7 4.343 21.874 -13.350 1.00 0.00 N ATOM 135 CA GLU A 7 3.190 20.999 -13.396 1.00 0.00 C ATOM 136 C GLU A 7 2.678 20.958 -14.818 1.00 0.00 C ATOM 137 O GLU A 7 2.815 19.967 -15.529 1.00 0.00 O ATOM 138 CB GLU A 7 2.099 21.539 -12.482 1.00 0.00 C ATOM 139 CG GLU A 7 2.592 21.884 -11.094 1.00 0.00 C ATOM 140 CD GLU A 7 1.745 22.956 -10.460 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.685 24.070 -11.028 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.141 22.695 -9.404 1.00 0.00 O1- ATOM 0 H GLU A 7 4.153 22.808 -12.987 1.00 0.00 H new ATOM 0 HA GLU A 7 3.468 19.998 -13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.663 22.429 -12.936 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.303 20.799 -12.403 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.579 20.991 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.627 22.220 -11.147 1.00 0.00 H new ATOM 149 N ASN A 8 2.128 22.082 -15.228 1.00 0.00 N ATOM 150 CA ASN A 8 1.585 22.245 -16.558 1.00 0.00 C ATOM 151 C ASN A 8 2.404 23.260 -17.351 1.00 0.00 C ATOM 152 O ASN A 8 1.863 23.969 -18.198 1.00 0.00 O ATOM 153 CB ASN A 8 0.125 22.701 -16.455 1.00 0.00 C ATOM 154 CG ASN A 8 -0.017 24.073 -15.803 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.807 24.478 -14.974 1.00 0.00 O ATOM 156 ND2 ASN A 8 -1.066 24.793 -16.162 1.00 0.00 N ATOM 0 H ASN A 8 2.045 22.913 -14.643 1.00 0.00 H new ATOM 0 HA ASN A 8 1.630 21.291 -17.083 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.314 22.730 -17.452 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.441 21.969 -15.879 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.216 25.715 -15.752 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.725 24.427 -16.849 1.00 0.00 H new ATOM 163 N TYR A 9 3.715 23.323 -17.057 1.00 0.00 N ATOM 164 CA TYR A 9 4.636 24.260 -17.722 1.00 0.00 C ATOM 165 C TYR A 9 4.342 24.418 -19.225 1.00 0.00 C ATOM 166 O TYR A 9 3.815 25.443 -19.651 1.00 0.00 O ATOM 167 CB TYR A 9 6.107 23.840 -17.481 1.00 0.00 C ATOM 168 CG TYR A 9 6.507 22.468 -18.011 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.726 21.340 -17.779 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.667 22.313 -18.758 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.091 20.103 -18.274 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.035 21.079 -19.261 1.00 0.00 C ATOM 173 CZ TYR A 9 7.245 19.979 -19.016 1.00 0.00 C ATOM 174 OH TYR A 9 7.599 18.757 -19.533 1.00 0.00 O ATOM 0 H TYR A 9 4.162 22.731 -16.357 1.00 0.00 H new ATOM 0 HA TYR A 9 4.474 25.240 -17.273 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.756 24.587 -17.937 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.299 23.863 -16.408 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.818 21.433 -17.202 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.293 23.172 -18.950 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.475 19.238 -18.080 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.939 20.979 -19.844 1.00 0.00 H new ATOM 0 HH TYR A 9 8.439 18.843 -20.031 1.00 0.00 H new ATOM 184 N ARG A 10 4.716 23.432 -20.027 1.00 0.00 N ATOM 185 CA ARG A 10 4.382 23.415 -21.438 1.00 0.00 C ATOM 186 C ARG A 10 3.821 22.059 -21.839 1.00 0.00 C ATOM 187 O ARG A 10 2.697 21.954 -22.320 1.00 0.00 O ATOM 188 CB ARG A 10 5.618 23.738 -22.279 1.00 0.00 C ATOM 189 CG ARG A 10 6.048 25.181 -22.177 1.00 0.00 C ATOM 190 CD ARG A 10 6.947 25.423 -20.984 1.00 0.00 C ATOM 191 NE ARG A 10 7.434 26.801 -20.948 1.00 0.00 N ATOM 192 CZ ARG A 10 6.684 27.861 -20.614 1.00 0.00 C ATOM 193 NH1 ARG A 10 5.418 27.705 -20.242 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 7.208 29.077 -20.654 1.00 0.00 N ATOM 0 H ARG A 10 5.258 22.625 -19.717 1.00 0.00 H new ATOM 0 HA ARG A 10 3.621 24.174 -21.619 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.441 23.097 -21.963 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.411 23.500 -23.323 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.571 25.468 -23.089 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.166 25.817 -22.101 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.401 25.205 -20.066 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.794 24.738 -21.021 1.00 0.00 H new ATOM 0 HE ARG A 10 8.410 26.967 -21.193 1.00 0.00 H new ATOM 0 HH11 ARG A 10 5.008 26.772 -20.208 1.00 0.00 H new ATOM 0 HH12 ARG A 10 4.857 28.518 -19.990 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.179 29.205 -20.938 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.640 29.886 -20.401 1.00 0.00 H new ATOM 208 N GLY A 11 4.603 21.018 -21.606 1.00 0.00 N ATOM 209 CA GLY A 11 4.212 19.691 -22.035 1.00 0.00 C ATOM 210 C GLY A 11 5.022 19.251 -23.232 1.00 0.00 C ATOM 211 O GLY A 11 4.473 18.845 -24.255 1.00 0.00 O ATOM 0 H GLY A 11 5.502 21.067 -21.127 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.351 18.984 -21.217 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.151 19.683 -22.286 1.00 0.00 H new ATOM 215 N ASN A 12 6.337 19.356 -23.100 1.00 0.00 N ATOM 216 CA ASN A 12 7.244 19.047 -24.195 1.00 0.00 C ATOM 217 C ASN A 12 7.960 17.724 -23.962 1.00 0.00 C ATOM 218 O ASN A 12 7.697 16.742 -24.653 1.00 0.00 O ATOM 219 CB ASN A 12 8.258 20.184 -24.402 1.00 0.00 C ATOM 220 CG ASN A 12 8.786 20.778 -23.105 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.731 20.276 -22.508 1.00 0.00 O ATOM 222 ND2 ASN A 12 8.190 21.876 -22.675 1.00 0.00 N ATOM 0 H ASN A 12 6.800 19.654 -22.242 1.00 0.00 H new ATOM 0 HA ASN A 12 6.648 18.950 -25.102 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.097 19.808 -24.987 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.789 20.974 -24.989 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.514 22.332 -21.822 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.406 22.268 -23.196 1.00 0.00 H new ATOM 229 N VAL A 13 8.856 17.701 -22.987 1.00 0.00 N ATOM 230 CA VAL A 13 9.629 16.513 -22.680 1.00 0.00 C ATOM 231 C VAL A 13 8.747 15.384 -22.145 1.00 0.00 C ATOM 232 O VAL A 13 7.942 15.579 -21.231 1.00 0.00 O ATOM 233 CB VAL A 13 10.733 16.841 -21.659 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.509 15.597 -21.275 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.670 17.899 -22.214 1.00 0.00 C ATOM 0 H VAL A 13 9.065 18.502 -22.391 1.00 0.00 H new ATOM 0 HA VAL A 13 10.084 16.172 -23.610 1.00 0.00 H new ATOM 0 HB VAL A 13 10.256 17.232 -20.760 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.282 15.859 -20.553 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.831 14.867 -20.832 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.973 15.169 -22.164 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.445 18.120 -21.480 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.132 17.531 -23.130 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.106 18.806 -22.431 1.00 0.00 H new ATOM 245 N ALA A 14 8.915 14.208 -22.733 1.00 0.00 N ATOM 246 CA ALA A 14 8.191 13.016 -22.323 1.00 0.00 C ATOM 247 C ALA A 14 9.185 11.900 -22.004 1.00 0.00 C ATOM 248 O ALA A 14 8.904 10.712 -22.178 1.00 0.00 O ATOM 249 CB ALA A 14 7.224 12.590 -23.414 1.00 0.00 C ATOM 0 H ALA A 14 9.559 14.055 -23.509 1.00 0.00 H new ATOM 0 HA ALA A 14 7.611 13.232 -21.426 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.687 11.696 -23.096 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.512 13.393 -23.603 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.778 12.374 -24.328 1.00 0.00 H new ATOM 255 N VAL A 15 10.367 12.311 -21.567 1.00 0.00 N ATOM 256 CA VAL A 15 11.441 11.398 -21.205 1.00 0.00 C ATOM 257 C VAL A 15 12.086 11.885 -19.915 1.00 0.00 C ATOM 258 O VAL A 15 12.262 13.086 -19.719 1.00 0.00 O ATOM 259 CB VAL A 15 12.507 11.312 -22.327 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.692 10.459 -21.899 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.899 10.756 -23.606 1.00 0.00 C ATOM 0 H VAL A 15 10.609 13.295 -21.453 1.00 0.00 H new ATOM 0 HA VAL A 15 11.023 10.401 -21.065 1.00 0.00 H new ATOM 0 HB VAL A 15 12.865 12.323 -22.518 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.422 10.418 -22.708 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.155 10.896 -21.014 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.350 9.450 -21.668 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.665 10.704 -24.380 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.505 9.757 -23.417 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.091 11.408 -23.938 1.00 0.00 H new ATOM 271 N THR A 16 12.423 10.952 -19.039 1.00 0.00 N ATOM 272 CA THR A 16 12.990 11.290 -17.741 1.00 0.00 C ATOM 273 C THR A 16 14.328 12.018 -17.884 1.00 0.00 C ATOM 274 O THR A 16 14.850 12.153 -18.992 1.00 0.00 O ATOM 275 CB THR A 16 13.200 10.023 -16.892 1.00 0.00 C ATOM 276 OG1 THR A 16 14.188 9.181 -17.504 1.00 0.00 O ATOM 277 CG2 THR A 16 11.899 9.249 -16.746 1.00 0.00 C ATOM 0 H THR A 16 12.314 9.951 -19.203 1.00 0.00 H new ATOM 0 HA THR A 16 12.280 11.952 -17.246 1.00 0.00 H new ATOM 0 HB THR A 16 13.540 10.329 -15.903 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.712 9.704 -18.146 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.072 8.358 -16.142 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.154 9.878 -16.259 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.538 8.955 -17.732 1.00 0.00 H new ATOM 285 N VAL A 17 14.886 12.484 -16.775 1.00 0.00 N ATOM 286 CA VAL A 17 16.210 13.090 -16.795 1.00 0.00 C ATOM 287 C VAL A 17 17.238 12.079 -17.308 1.00 0.00 C ATOM 288 O VAL A 17 18.168 12.428 -18.037 1.00 0.00 O ATOM 289 CB VAL A 17 16.610 13.628 -15.399 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.554 12.536 -14.341 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.987 14.268 -15.432 1.00 0.00 C ATOM 0 H VAL A 17 14.446 12.454 -15.855 1.00 0.00 H new ATOM 0 HA VAL A 17 16.186 13.943 -17.473 1.00 0.00 H new ATOM 0 HB VAL A 17 15.883 14.393 -15.128 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.841 12.951 -13.375 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.540 12.141 -14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.241 11.733 -14.610 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.241 14.637 -14.438 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.725 13.529 -15.744 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.985 15.099 -16.137 1.00 0.00 H new ATOM 301 N SER A 18 17.027 10.818 -16.963 1.00 0.00 N ATOM 302 CA SER A 18 17.834 9.733 -17.490 1.00 0.00 C ATOM 303 C SER A 18 17.200 9.215 -18.782 1.00 0.00 C ATOM 304 O SER A 18 16.186 9.742 -19.234 1.00 0.00 O ATOM 305 CB SER A 18 17.919 8.615 -16.457 1.00 0.00 C ATOM 306 OG SER A 18 18.292 9.115 -15.183 1.00 0.00 O ATOM 0 H SER A 18 16.297 10.521 -16.315 1.00 0.00 H new ATOM 0 HA SER A 18 18.841 10.090 -17.706 1.00 0.00 H new ATOM 0 HB2 SER A 18 16.955 8.111 -16.384 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.644 7.870 -16.784 1.00 0.00 H new ATOM 0 HG SER A 18 17.587 8.913 -14.533 1.00 0.00 H new ATOM 312 N GLY A 19 17.772 8.169 -19.359 1.00 0.00 N ATOM 313 CA GLY A 19 17.288 7.673 -20.640 1.00 0.00 C ATOM 314 C GLY A 19 16.061 6.780 -20.520 1.00 0.00 C ATOM 315 O GLY A 19 15.876 5.867 -21.326 1.00 0.00 O ATOM 0 H GLY A 19 18.560 7.653 -18.968 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.049 8.521 -21.282 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.086 7.116 -21.130 1.00 0.00 H new ATOM 319 N HIS A 20 15.220 7.036 -19.522 1.00 0.00 N ATOM 320 CA HIS A 20 14.013 6.238 -19.315 1.00 0.00 C ATOM 321 C HIS A 20 12.839 6.852 -20.067 1.00 0.00 C ATOM 322 O HIS A 20 12.608 8.058 -19.994 1.00 0.00 O ATOM 323 CB HIS A 20 13.645 6.142 -17.825 1.00 0.00 C ATOM 324 CG HIS A 20 14.743 5.652 -16.930 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.506 6.494 -16.152 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.182 4.399 -16.668 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.373 5.780 -15.457 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.199 4.508 -15.752 1.00 0.00 N ATOM 0 H HIS A 20 15.350 7.788 -18.845 1.00 0.00 H new ATOM 0 HA HIS A 20 14.221 5.237 -19.692 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.329 7.127 -17.481 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.788 5.477 -17.720 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.803 3.484 -17.099 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.102 6.173 -14.764 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.733 3.731 -15.363 1.00 0.00 H new ATOM 337 N THR A 21 12.104 6.022 -20.790 1.00 0.00 N ATOM 338 CA THR A 21 10.882 6.456 -21.448 1.00 0.00 C ATOM 339 C THR A 21 9.778 6.704 -20.422 1.00 0.00 C ATOM 340 O THR A 21 9.503 5.843 -19.580 1.00 0.00 O ATOM 341 CB THR A 21 10.416 5.394 -22.467 1.00 0.00 C ATOM 342 OG1 THR A 21 11.298 5.371 -23.600 1.00 0.00 O ATOM 343 CG2 THR A 21 8.984 5.642 -22.923 1.00 0.00 C ATOM 0 H THR A 21 12.334 5.039 -20.936 1.00 0.00 H new ATOM 0 HA THR A 21 11.090 7.388 -21.973 1.00 0.00 H new ATOM 0 HB THR A 21 10.444 4.425 -21.970 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.993 4.693 -24.238 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.692 4.874 -23.639 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.317 5.607 -22.062 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.917 6.622 -23.394 1.00 0.00 H new ATOM 351 N CYS A 22 9.187 7.893 -20.458 1.00 0.00 N ATOM 352 CA CYS A 22 8.053 8.192 -19.600 1.00 0.00 C ATOM 353 C CYS A 22 6.835 7.369 -20.000 1.00 0.00 C ATOM 354 O CYS A 22 6.294 7.521 -21.095 1.00 0.00 O ATOM 355 CB CYS A 22 7.707 9.677 -19.631 1.00 0.00 C ATOM 356 SG CYS A 22 8.870 10.739 -18.716 1.00 0.00 S ATOM 0 H CYS A 22 9.474 8.659 -21.068 1.00 0.00 H new ATOM 0 HA CYS A 22 8.340 7.927 -18.582 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.671 10.008 -20.669 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.707 9.814 -19.218 1.00 0.00 H new ATOM 361 N GLN A 23 6.438 6.472 -19.122 1.00 0.00 N ATOM 362 CA GLN A 23 5.197 5.739 -19.271 1.00 0.00 C ATOM 363 C GLN A 23 4.002 6.688 -19.171 1.00 0.00 C ATOM 364 O GLN A 23 3.969 7.579 -18.316 1.00 0.00 O ATOM 365 CB GLN A 23 5.116 4.663 -18.192 1.00 0.00 C ATOM 366 CG GLN A 23 3.744 4.041 -18.049 1.00 0.00 C ATOM 367 CD GLN A 23 3.300 4.009 -16.610 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.545 3.049 -15.881 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.671 5.082 -16.183 1.00 0.00 N ATOM 0 H GLN A 23 6.967 6.230 -18.284 1.00 0.00 H new ATOM 0 HA GLN A 23 5.172 5.266 -20.253 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.838 3.879 -18.420 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.409 5.098 -17.236 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.024 4.606 -18.641 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.759 3.027 -18.449 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.489 5.855 -16.823 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.365 5.141 -15.212 1.00 0.00 H new ATOM 378 N HIS A 24 3.024 6.477 -20.051 1.00 0.00 N ATOM 379 CA HIS A 24 1.829 7.325 -20.135 1.00 0.00 C ATOM 380 C HIS A 24 1.089 7.406 -18.806 1.00 0.00 C ATOM 381 O HIS A 24 0.995 6.427 -18.067 1.00 0.00 O ATOM 382 CB HIS A 24 0.866 6.795 -21.199 1.00 0.00 C ATOM 383 CG HIS A 24 1.347 6.959 -22.606 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.319 6.163 -23.166 1.00 0.00 N ATOM 385 CD2 HIS A 24 0.977 7.832 -23.572 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.527 6.540 -24.411 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.724 7.550 -24.685 1.00 0.00 N ATOM 0 H HIS A 24 3.035 5.714 -20.727 1.00 0.00 H new ATOM 0 HA HIS A 24 2.174 8.323 -20.403 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.684 5.737 -21.012 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.090 7.307 -21.093 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.231 8.608 -23.482 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.237 6.096 -25.094 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.669 8.040 -25.578 1.00 0.00 H new ATOM 396 N TRP A 25 0.559 8.590 -18.518 1.00 0.00 N ATOM 397 CA TRP A 25 -0.228 8.819 -17.310 1.00 0.00 C ATOM 398 C TRP A 25 -1.536 8.048 -17.369 1.00 0.00 C ATOM 399 O TRP A 25 -2.070 7.635 -16.343 1.00 0.00 O ATOM 400 CB TRP A 25 -0.524 10.305 -17.125 1.00 0.00 C ATOM 401 CG TRP A 25 0.701 11.152 -17.023 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.163 12.034 -17.953 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.622 11.197 -15.929 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.309 12.632 -17.499 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.616 12.132 -16.263 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.703 10.542 -14.701 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.679 12.424 -15.414 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.756 10.829 -13.861 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.734 11.764 -14.219 1.00 0.00 C ATOM 0 H TRP A 25 0.661 9.414 -19.111 1.00 0.00 H new ATOM 0 HA TRP A 25 0.359 8.467 -16.462 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.127 10.653 -17.963 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.123 10.438 -16.224 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.695 12.232 -18.906 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.847 13.337 -18.002 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.952 9.821 -14.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.433 13.146 -15.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.828 10.324 -12.909 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.547 11.968 -13.538 1.00 0.00 H new ATOM 420 N SER A 26 -2.051 7.873 -18.573 1.00 0.00 N ATOM 421 CA SER A 26 -3.289 7.146 -18.782 1.00 0.00 C ATOM 422 C SER A 26 -3.050 5.640 -18.693 1.00 0.00 C ATOM 423 O SER A 26 -3.989 4.851 -18.615 1.00 0.00 O ATOM 424 CB SER A 26 -3.856 7.518 -20.148 1.00 0.00 C ATOM 425 OG SER A 26 -2.853 7.415 -21.147 1.00 0.00 O ATOM 0 H SER A 26 -1.625 8.229 -19.429 1.00 0.00 H new ATOM 0 HA SER A 26 -4.004 7.416 -18.005 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.691 6.861 -20.393 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.248 8.535 -20.121 1.00 0.00 H new ATOM 0 HG SER A 26 -3.233 7.655 -22.018 1.00 0.00 H new ATOM 431 N ALA A 27 -1.783 5.257 -18.693 1.00 0.00 N ATOM 432 CA ALA A 27 -1.404 3.859 -18.642 1.00 0.00 C ATOM 433 C ALA A 27 -1.139 3.427 -17.211 1.00 0.00 C ATOM 434 O ALA A 27 -0.339 4.040 -16.507 1.00 0.00 O ATOM 435 CB ALA A 27 -0.171 3.619 -19.497 1.00 0.00 C ATOM 0 H ALA A 27 -0.995 5.904 -18.728 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.229 3.265 -19.035 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.104 2.565 -19.451 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.386 3.893 -20.530 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.654 4.226 -19.124 1.00 0.00 H new ATOM 441 N GLN A 28 -1.829 2.393 -16.772 1.00 0.00 N ATOM 442 CA GLN A 28 -1.578 1.811 -15.462 1.00 0.00 C ATOM 443 C GLN A 28 -0.584 0.660 -15.586 1.00 0.00 C ATOM 444 O GLN A 28 -0.413 -0.149 -14.674 1.00 0.00 O ATOM 445 CB GLN A 28 -2.884 1.341 -14.831 1.00 0.00 C ATOM 446 CG GLN A 28 -3.803 2.482 -14.421 1.00 0.00 C ATOM 447 CD GLN A 28 -3.349 3.126 -13.144 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.797 2.766 -12.058 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.420 4.056 -13.260 1.00 0.00 N ATOM 0 H GLN A 28 -2.570 1.935 -17.302 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.145 2.571 -14.811 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.409 0.698 -15.537 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.657 0.734 -13.954 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.833 3.228 -15.215 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.819 2.106 -14.298 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.078 4.323 -14.183 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.044 4.508 -12.427 1.00 0.00 H new ATOM 458 N THR A 29 0.050 0.602 -16.745 1.00 0.00 N ATOM 459 CA THR A 29 1.113 -0.345 -17.029 1.00 0.00 C ATOM 460 C THR A 29 2.227 0.397 -17.768 1.00 0.00 C ATOM 461 O THR A 29 1.932 1.273 -18.578 1.00 0.00 O ATOM 462 CB THR A 29 0.582 -1.513 -17.893 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.551 -2.111 -17.246 1.00 0.00 O ATOM 464 CG2 THR A 29 1.648 -2.574 -18.122 1.00 0.00 C ATOM 0 H THR A 29 -0.163 1.222 -17.527 1.00 0.00 H new ATOM 0 HA THR A 29 1.494 -0.766 -16.099 1.00 0.00 H new ATOM 0 HB THR A 29 0.294 -1.108 -18.863 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.888 -2.850 -17.794 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.236 -3.377 -18.733 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.500 -2.129 -18.635 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.972 -2.977 -17.163 1.00 0.00 H new ATOM 472 N PRO A 30 3.518 0.106 -17.509 1.00 0.00 N ATOM 473 CA PRO A 30 3.973 -0.920 -16.550 1.00 0.00 C ATOM 474 C PRO A 30 3.589 -0.647 -15.089 1.00 0.00 C ATOM 475 O PRO A 30 3.134 -1.551 -14.384 1.00 0.00 O ATOM 476 CB PRO A 30 5.502 -0.901 -16.704 1.00 0.00 C ATOM 477 CG PRO A 30 5.828 0.407 -17.348 1.00 0.00 C ATOM 478 CD PRO A 30 4.645 0.760 -18.190 1.00 0.00 C ATOM 0 HA PRO A 30 3.501 -1.878 -16.768 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.994 -0.994 -15.736 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.844 -1.735 -17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.015 1.175 -16.598 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.729 0.328 -17.956 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.504 1.839 -18.249 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.759 0.397 -19.212 1.00 0.00 H new ATOM 486 N HIS A 31 3.759 0.587 -14.633 1.00 0.00 N ATOM 487 CA HIS A 31 3.579 0.897 -13.216 1.00 0.00 C ATOM 488 C HIS A 31 2.135 1.290 -12.903 1.00 0.00 C ATOM 489 O HIS A 31 1.588 2.218 -13.499 1.00 0.00 O ATOM 490 CB HIS A 31 4.546 2.004 -12.769 1.00 0.00 C ATOM 491 CG HIS A 31 5.992 1.590 -12.765 1.00 0.00 C ATOM 492 ND1 HIS A 31 6.452 0.447 -12.149 1.00 0.00 N ATOM 493 CD2 HIS A 31 7.082 2.181 -13.308 1.00 0.00 C ATOM 494 CE1 HIS A 31 7.759 0.353 -12.313 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.167 1.393 -13.015 1.00 0.00 N ATOM 0 H HIS A 31 4.019 1.384 -15.214 1.00 0.00 H new ATOM 0 HA HIS A 31 3.806 -0.009 -12.655 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.427 2.864 -13.428 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.270 2.330 -11.766 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.095 3.104 -13.869 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.387 -0.441 -11.936 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.130 1.581 -13.294 1.00 0.00 H new ATOM 504 N THR A 32 1.528 0.578 -11.955 1.00 0.00 N ATOM 505 CA THR A 32 0.152 0.842 -11.538 1.00 0.00 C ATOM 506 C THR A 32 0.096 2.033 -10.570 1.00 0.00 C ATOM 507 O THR A 32 0.000 1.879 -9.352 1.00 0.00 O ATOM 508 CB THR A 32 -0.488 -0.418 -10.903 1.00 0.00 C ATOM 509 OG1 THR A 32 -1.742 -0.094 -10.289 1.00 0.00 O ATOM 510 CG2 THR A 32 0.441 -1.063 -9.880 1.00 0.00 C ATOM 0 H THR A 32 1.973 -0.193 -11.457 1.00 0.00 H new ATOM 0 HA THR A 32 -0.426 1.099 -12.426 1.00 0.00 H new ATOM 0 HB THR A 32 -0.660 -1.135 -11.705 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.132 -0.902 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.041 -1.944 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.370 -1.357 -10.367 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.658 -0.350 -9.085 1.00 0.00 H new ATOM 518 N HIS A 33 0.170 3.222 -11.141 1.00 0.00 N ATOM 519 CA HIS A 33 0.278 4.464 -10.368 1.00 0.00 C ATOM 520 C HIS A 33 -1.080 5.106 -10.120 1.00 0.00 C ATOM 521 O HIS A 33 -1.984 4.971 -10.923 1.00 0.00 O ATOM 522 CB HIS A 33 1.174 5.456 -11.103 1.00 0.00 C ATOM 523 CG HIS A 33 0.712 5.747 -12.500 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.014 6.881 -12.847 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.847 5.035 -13.640 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.259 6.849 -14.133 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.235 5.742 -14.640 1.00 0.00 N ATOM 0 H HIS A 33 0.158 3.363 -12.151 1.00 0.00 H new ATOM 0 HA HIS A 33 0.710 4.206 -9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.213 6.388 -10.539 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.190 5.062 -11.138 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.346 4.083 -13.744 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.799 7.607 -14.681 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.173 5.457 -15.617 1.00 0.00 H new ATOM 536 N ASN A 34 -1.207 5.855 -9.041 1.00 0.00 N ATOM 537 CA ASN A 34 -2.446 6.571 -8.776 1.00 0.00 C ATOM 538 C ASN A 34 -2.338 8.032 -9.199 1.00 0.00 C ATOM 539 O ASN A 34 -3.096 8.877 -8.739 1.00 0.00 O ATOM 540 CB ASN A 34 -2.838 6.479 -7.308 1.00 0.00 C ATOM 541 CG ASN A 34 -3.209 5.066 -6.895 1.00 0.00 C ATOM 542 OD1 ASN A 34 -4.354 4.645 -7.050 1.00 0.00 O ATOM 543 ND2 ASN A 34 -2.254 4.331 -6.351 1.00 0.00 N ATOM 0 H ASN A 34 -0.478 5.985 -8.339 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.227 6.094 -9.369 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.010 6.829 -6.691 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.681 7.143 -7.118 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.455 3.380 -6.043 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.316 4.715 -6.239 1.00 0.00 H new ATOM 550 N ARG A 36 -1.372 8.331 -10.063 1.00 0.00 N ATOM 551 CA ARG A 36 -1.293 9.655 -10.674 1.00 0.00 C ATOM 552 C ARG A 36 -1.732 9.582 -12.128 1.00 0.00 C ATOM 553 O ARG A 36 -0.902 9.497 -13.027 1.00 0.00 O ATOM 554 CB ARG A 36 0.119 10.261 -10.592 1.00 0.00 C ATOM 555 CG ARG A 36 0.501 10.813 -9.224 1.00 0.00 C ATOM 556 CD ARG A 36 0.839 9.704 -8.247 1.00 0.00 C ATOM 557 NE ARG A 36 0.962 10.192 -6.871 1.00 0.00 N ATOM 558 CZ ARG A 36 0.270 9.709 -5.838 1.00 0.00 C ATOM 559 NH1 ARG A 36 -0.627 8.750 -6.018 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 0.469 10.202 -4.626 1.00 0.00 N ATOM 0 H ARG A 36 -0.640 7.683 -10.354 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.961 10.307 -10.111 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.843 9.497 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.198 11.063 -11.326 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.356 11.481 -9.327 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.322 11.408 -8.829 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.066 8.937 -8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.774 9.231 -8.547 1.00 0.00 H new ATOM 0 HE ARG A 36 1.620 10.951 -6.691 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.793 8.375 -6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.152 8.387 -5.222 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.149 10.949 -4.484 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.058 9.835 -3.833 1.00 0.00 H new ATOM 574 N THR A 37 -3.033 9.597 -12.342 1.00 0.00 N ATOM 575 CA THR A 37 -3.603 9.505 -13.677 1.00 0.00 C ATOM 576 C THR A 37 -4.407 10.766 -13.954 1.00 0.00 C ATOM 577 O THR A 37 -4.764 11.482 -13.021 1.00 0.00 O ATOM 578 CB THR A 37 -4.518 8.265 -13.805 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.554 8.327 -12.819 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.718 6.979 -13.627 1.00 0.00 C ATOM 0 H THR A 37 -3.726 9.673 -11.598 1.00 0.00 H new ATOM 0 HA THR A 37 -2.795 9.405 -14.401 1.00 0.00 H new ATOM 0 HB THR A 37 -4.959 8.263 -14.802 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.133 7.541 -12.903 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.383 6.121 -13.721 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.943 6.924 -14.392 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.255 6.972 -12.640 1.00 0.00 H new ATOM 588 N PRO A 38 -4.676 11.085 -15.229 1.00 0.00 N ATOM 589 CA PRO A 38 -5.478 12.258 -15.592 1.00 0.00 C ATOM 590 C PRO A 38 -6.915 12.181 -15.068 1.00 0.00 C ATOM 591 O PRO A 38 -7.692 13.121 -15.224 1.00 0.00 O ATOM 592 CB PRO A 38 -5.457 12.275 -17.124 1.00 0.00 C ATOM 593 CG PRO A 38 -4.950 10.940 -17.553 1.00 0.00 C ATOM 594 CD PRO A 38 -4.179 10.360 -16.407 1.00 0.00 C ATOM 0 HA PRO A 38 -5.069 13.166 -15.148 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.454 12.459 -17.524 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.813 13.072 -17.495 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.778 10.286 -17.828 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.314 11.036 -18.433 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.350 9.287 -16.315 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.106 10.502 -16.537 1.00 0.00 H new ATOM 602 N GLU A 39 -7.263 11.052 -14.458 1.00 0.00 N ATOM 603 CA GLU A 39 -8.547 10.897 -13.786 1.00 0.00 C ATOM 604 C GLU A 39 -8.402 11.199 -12.296 1.00 0.00 C ATOM 605 O GLU A 39 -9.388 11.361 -11.577 1.00 0.00 O ATOM 606 CB GLU A 39 -9.063 9.474 -13.968 1.00 0.00 C ATOM 607 CG GLU A 39 -9.295 9.090 -15.415 1.00 0.00 C ATOM 608 CD GLU A 39 -9.855 7.692 -15.552 1.00 0.00 C ATOM 609 OE1 GLU A 39 -11.046 7.492 -15.237 1.00 0.00 O ATOM 610 OE2 GLU A 39 -9.109 6.789 -15.976 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.667 10.225 -14.416 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.257 11.598 -14.226 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.349 8.779 -13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.997 9.363 -13.418 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.983 9.801 -15.872 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.355 9.158 -15.963 1.00 0.00 H new ATOM 617 N ASN A 40 -7.157 11.265 -11.849 1.00 0.00 N ATOM 618 CA ASN A 40 -6.843 11.487 -10.443 1.00 0.00 C ATOM 619 C ASN A 40 -6.306 12.890 -10.222 1.00 0.00 C ATOM 620 O ASN A 40 -6.571 13.524 -9.199 1.00 0.00 O ATOM 621 CB ASN A 40 -5.819 10.452 -9.962 1.00 0.00 C ATOM 622 CG ASN A 40 -6.430 9.086 -9.687 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.406 8.680 -10.321 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.859 8.367 -8.737 1.00 0.00 N ATOM 0 H ASN A 40 -6.337 11.167 -12.448 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.762 11.377 -9.867 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.037 10.348 -10.714 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.341 10.819 -9.053 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.225 7.443 -8.507 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -5.052 8.736 -8.233 1.00 0.00 H new ATOM 631 N PHE A 41 -5.556 13.373 -11.193 1.00 0.00 N ATOM 632 CA PHE A 41 -4.972 14.702 -11.122 1.00 0.00 C ATOM 633 C PHE A 41 -5.207 15.443 -12.432 1.00 0.00 C ATOM 634 O PHE A 41 -4.257 15.768 -13.150 1.00 0.00 O ATOM 635 CB PHE A 41 -3.469 14.618 -10.840 1.00 0.00 C ATOM 636 CG PHE A 41 -3.122 13.976 -9.526 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.042 12.599 -9.414 1.00 0.00 C ATOM 638 CD2 PHE A 41 -2.867 14.752 -8.410 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.719 12.007 -8.209 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.543 14.166 -7.201 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.468 12.791 -7.101 1.00 0.00 C ATOM 0 H PHE A 41 -5.334 12.862 -12.047 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.450 15.245 -10.307 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.991 14.057 -11.643 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.050 15.624 -10.862 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.234 11.981 -10.278 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.922 15.828 -8.484 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.663 10.931 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.349 14.783 -6.336 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.214 12.330 -6.158 1.00 0.00 H new ATOM 651 N PRO A 42 -6.475 15.724 -12.767 1.00 0.00 N ATOM 652 CA PRO A 42 -6.826 16.383 -14.024 1.00 0.00 C ATOM 653 C PRO A 42 -6.316 17.819 -14.062 1.00 0.00 C ATOM 654 O PRO A 42 -5.952 18.338 -15.116 1.00 0.00 O ATOM 655 CB PRO A 42 -8.361 16.363 -14.043 1.00 0.00 C ATOM 656 CG PRO A 42 -8.757 15.388 -12.986 1.00 0.00 C ATOM 657 CD PRO A 42 -7.669 15.435 -11.957 1.00 0.00 C ATOM 0 HA PRO A 42 -6.381 15.883 -14.884 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.769 17.353 -13.838 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.738 16.059 -15.019 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.720 15.654 -12.549 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.861 14.385 -13.399 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.850 16.209 -11.211 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.577 14.490 -11.421 1.00 0.00 H new ATOM 665 N SER A 43 -6.250 18.434 -12.887 1.00 0.00 N ATOM 666 CA SER A 43 -5.841 19.825 -12.760 1.00 0.00 C ATOM 667 C SER A 43 -4.315 19.950 -12.800 1.00 0.00 C ATOM 668 O SER A 43 -3.761 21.028 -12.593 1.00 0.00 O ATOM 669 CB SER A 43 -6.403 20.404 -11.458 1.00 0.00 C ATOM 670 OG SER A 43 -6.295 21.816 -11.423 1.00 0.00 O ATOM 0 H SER A 43 -6.478 17.984 -12.000 1.00 0.00 H new ATOM 0 HA SER A 43 -6.239 20.392 -13.602 1.00 0.00 H new ATOM 0 HB2 SER A 43 -7.449 20.116 -11.354 1.00 0.00 H new ATOM 0 HB3 SER A 43 -5.869 19.977 -10.609 1.00 0.00 H new ATOM 0 HG SER A 43 -5.441 22.089 -11.819 1.00 0.00 H new ATOM 676 N LYS A 44 -3.641 18.839 -13.078 1.00 0.00 N ATOM 677 CA LYS A 44 -2.187 18.833 -13.186 1.00 0.00 C ATOM 678 C LYS A 44 -1.777 18.502 -14.611 1.00 0.00 C ATOM 679 O LYS A 44 -0.595 18.413 -14.941 1.00 0.00 O ATOM 680 CB LYS A 44 -1.562 17.848 -12.194 1.00 0.00 C ATOM 681 CG LYS A 44 -1.731 18.266 -10.738 1.00 0.00 C ATOM 682 CD LYS A 44 -1.214 19.679 -10.497 1.00 0.00 C ATOM 683 CE LYS A 44 -1.447 20.125 -9.061 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.194 21.582 -8.879 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.079 17.931 -13.233 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.817 19.827 -12.935 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.012 16.865 -12.337 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.499 17.747 -12.414 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.784 18.211 -10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.197 17.568 -10.094 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.148 19.720 -10.723 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.711 20.370 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.473 19.897 -8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -0.796 19.558 -8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.570 21.887 -7.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.171 21.763 -8.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.665 22.114 -9.639 1.00 0.00 H new ATOM 698 N ASN A 45 -2.808 18.317 -15.433 1.00 0.00 N ATOM 699 CA ASN A 45 -2.681 18.115 -16.874 1.00 0.00 C ATOM 700 C ASN A 45 -1.821 16.907 -17.219 1.00 0.00 C ATOM 701 O ASN A 45 -0.779 17.034 -17.844 1.00 0.00 O ATOM 702 CB ASN A 45 -2.141 19.379 -17.561 1.00 0.00 C ATOM 703 CG ASN A 45 -3.053 20.581 -17.375 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.633 21.723 -17.553 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.296 20.340 -16.981 1.00 0.00 N ATOM 0 H ASN A 45 -3.775 18.303 -15.109 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.683 17.913 -17.252 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.154 19.611 -17.162 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.016 19.184 -18.626 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.938 21.115 -16.816 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.610 19.379 -16.843 1.00 0.00 H new ATOM 712 N LEU A 46 -2.288 15.728 -16.849 1.00 0.00 N ATOM 713 CA LEU A 46 -1.565 14.494 -17.141 1.00 0.00 C ATOM 714 C LEU A 46 -1.769 14.090 -18.602 1.00 0.00 C ATOM 715 O LEU A 46 -2.494 13.147 -18.918 1.00 0.00 O ATOM 716 CB LEU A 46 -2.020 13.390 -16.181 1.00 0.00 C ATOM 717 CG LEU A 46 -1.133 13.200 -14.933 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.225 14.399 -14.703 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.979 12.959 -13.690 1.00 0.00 C ATOM 0 H LEU A 46 -3.165 15.594 -16.345 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.497 14.655 -16.993 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.037 13.610 -15.855 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.058 12.448 -16.728 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.512 12.324 -15.118 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.385 14.229 -13.816 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.424 14.535 -15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.832 15.293 -14.560 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.327 12.829 -12.826 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.634 13.814 -13.524 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.582 12.061 -13.829 1.00 0.00 H new ATOM 731 N ASP A 47 -1.116 14.843 -19.482 1.00 0.00 N ATOM 732 CA ASP A 47 -1.229 14.663 -20.922 1.00 0.00 C ATOM 733 C ASP A 47 -0.225 13.643 -21.430 1.00 0.00 C ATOM 734 O ASP A 47 0.976 13.761 -21.165 1.00 0.00 O ATOM 735 CB ASP A 47 -0.975 15.991 -21.637 1.00 0.00 C ATOM 736 CG ASP A 47 -2.006 17.051 -21.313 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.198 16.850 -21.626 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.621 18.098 -20.750 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.489 15.601 -19.212 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.237 14.306 -21.131 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.014 16.360 -21.364 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.965 15.820 -22.714 1.00 0.00 H new ATOM 743 N GLU A 48 -0.726 12.658 -22.172 1.00 0.00 N ATOM 744 CA GLU A 48 0.112 11.650 -22.818 1.00 0.00 C ATOM 745 C GLU A 48 1.048 10.953 -21.835 1.00 0.00 C ATOM 746 O GLU A 48 0.651 10.052 -21.096 1.00 0.00 O ATOM 747 CB GLU A 48 0.954 12.275 -23.937 1.00 0.00 C ATOM 748 CG GLU A 48 0.186 12.628 -25.194 1.00 0.00 C ATOM 749 CD GLU A 48 -0.278 11.395 -25.935 1.00 0.00 C ATOM 750 OE1 GLU A 48 0.584 10.640 -26.431 1.00 0.00 O ATOM 751 OE2 GLU A 48 -1.502 11.173 -26.027 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.724 12.536 -22.342 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.571 10.908 -23.231 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.428 13.178 -23.553 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.753 11.582 -24.200 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.677 13.241 -24.932 1.00 0.00 H new ATOM 0 HG3 GLU A 48 0.817 13.229 -25.849 1.00 0.00 H new ATOM 758 N ASN A 49 2.297 11.396 -21.846 1.00 0.00 N ATOM 759 CA ASN A 49 3.348 10.837 -21.011 1.00 0.00 C ATOM 760 C ASN A 49 4.362 11.924 -20.694 1.00 0.00 C ATOM 761 O ASN A 49 5.491 11.651 -20.304 1.00 0.00 O ATOM 762 CB ASN A 49 4.034 9.641 -21.697 1.00 0.00 C ATOM 763 CG ASN A 49 4.729 9.972 -23.018 1.00 0.00 C ATOM 764 OD1 ASN A 49 5.796 9.442 -23.314 1.00 0.00 O ATOM 765 ND2 ASN A 49 4.114 10.805 -23.845 1.00 0.00 N ATOM 0 H ASN A 49 2.612 12.162 -22.442 1.00 0.00 H new ATOM 0 HA ASN A 49 2.904 10.469 -20.086 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.769 9.220 -21.011 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.288 8.868 -21.879 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.527 11.020 -24.753 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.228 11.232 -23.574 1.00 0.00 H new ATOM 772 N TYR A 50 3.930 13.163 -20.889 1.00 0.00 N ATOM 773 CA TYR A 50 4.764 14.332 -20.645 1.00 0.00 C ATOM 774 C TYR A 50 5.208 14.389 -19.197 1.00 0.00 C ATOM 775 O TYR A 50 4.470 13.981 -18.304 1.00 0.00 O ATOM 776 CB TYR A 50 3.989 15.608 -20.974 1.00 0.00 C ATOM 777 CG TYR A 50 3.431 15.649 -22.378 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.867 14.753 -23.342 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.479 16.594 -22.736 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.372 14.797 -24.629 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.973 16.641 -24.019 1.00 0.00 C ATOM 782 CZ TYR A 50 2.425 15.740 -24.962 1.00 0.00 C ATOM 783 OH TYR A 50 1.944 15.797 -26.250 1.00 0.00 O ATOM 0 H TYR A 50 2.992 13.386 -21.221 1.00 0.00 H new ATOM 0 HA TYR A 50 5.643 14.254 -21.285 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.168 15.714 -20.265 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.646 16.466 -20.831 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.605 14.009 -23.081 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.129 17.303 -22.000 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.725 14.096 -25.371 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.229 17.377 -24.283 1.00 0.00 H new ATOM 0 HH TYR A 50 1.282 16.516 -26.320 1.00 0.00 H new ATOM 793 N CYS A 51 6.409 14.893 -18.974 1.00 0.00 N ATOM 794 CA CYS A 51 6.910 15.103 -17.625 1.00 0.00 C ATOM 795 C CYS A 51 6.078 16.149 -16.893 1.00 0.00 C ATOM 796 O CYS A 51 6.393 17.340 -16.913 1.00 0.00 O ATOM 797 CB CYS A 51 8.365 15.546 -17.663 1.00 0.00 C ATOM 798 SG CYS A 51 9.524 14.287 -18.274 1.00 0.00 S ATOM 0 H CYS A 51 7.058 15.166 -19.712 1.00 0.00 H new ATOM 0 HA CYS A 51 6.835 14.157 -17.089 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.445 16.431 -18.294 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.667 15.842 -16.658 1.00 0.00 H new ATOM 803 N ARG A 52 5.006 15.697 -16.274 1.00 0.00 N ATOM 804 CA ARG A 52 4.141 16.563 -15.498 1.00 0.00 C ATOM 805 C ARG A 52 4.531 16.504 -14.033 1.00 0.00 C ATOM 806 O ARG A 52 5.489 15.830 -13.661 1.00 0.00 O ATOM 807 CB ARG A 52 2.683 16.145 -15.668 1.00 0.00 C ATOM 808 CG ARG A 52 2.139 16.363 -17.075 1.00 0.00 C ATOM 809 CD ARG A 52 2.283 17.816 -17.516 1.00 0.00 C ATOM 810 NE ARG A 52 1.441 18.132 -18.671 1.00 0.00 N ATOM 811 CZ ARG A 52 1.508 19.268 -19.361 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.438 20.168 -19.069 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.629 19.511 -20.328 1.00 0.00 N ATOM 0 H ARG A 52 4.710 14.721 -16.294 1.00 0.00 H new ATOM 0 HA ARG A 52 4.255 17.586 -15.856 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.585 15.090 -15.410 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.070 16.704 -14.961 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.669 15.716 -17.774 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.088 16.075 -17.108 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.020 18.473 -16.687 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.325 18.017 -17.763 1.00 0.00 H new ATOM 0 HE ARG A 52 0.757 17.435 -18.967 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.102 19.989 -18.316 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.489 21.039 -19.598 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.097 18.827 -20.541 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.680 20.382 -20.857 1.00 0.00 H new ATOM 827 N ASN A 53 3.796 17.214 -13.205 1.00 0.00 N ATOM 828 CA ASN A 53 4.021 17.160 -11.774 1.00 0.00 C ATOM 829 C ASN A 53 2.684 17.054 -11.039 1.00 0.00 C ATOM 830 O ASN A 53 2.234 18.002 -10.396 1.00 0.00 O ATOM 831 CB ASN A 53 4.797 18.397 -11.313 1.00 0.00 C ATOM 832 CG ASN A 53 5.303 18.277 -9.888 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.902 17.380 -9.146 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.177 19.193 -9.498 1.00 0.00 N ATOM 0 H ASN A 53 3.040 17.834 -13.495 1.00 0.00 H new ATOM 0 HA ASN A 53 4.616 16.277 -11.540 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.643 18.560 -11.981 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.154 19.274 -11.393 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.546 19.173 -8.547 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.481 19.918 -10.148 1.00 0.00 H new ATOM 841 N PRO A 54 2.014 15.892 -11.150 1.00 0.00 N ATOM 842 CA PRO A 54 0.726 15.661 -10.494 1.00 0.00 C ATOM 843 C PRO A 54 0.850 15.516 -8.979 1.00 0.00 C ATOM 844 O PRO A 54 0.133 16.174 -8.226 1.00 0.00 O ATOM 845 CB PRO A 54 0.225 14.360 -11.121 1.00 0.00 C ATOM 846 CG PRO A 54 1.443 13.663 -11.624 1.00 0.00 C ATOM 847 CD PRO A 54 2.448 14.734 -11.953 1.00 0.00 C ATOM 0 HA PRO A 54 0.049 16.503 -10.637 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.302 13.749 -10.388 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.475 14.560 -11.932 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.837 12.980 -10.871 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.211 13.066 -12.506 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.460 14.425 -11.692 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.450 14.965 -13.018 1.00 0.00 H new ATOM 855 N ASP A 55 1.763 14.654 -8.541 1.00 0.00 N ATOM 856 CA ASP A 55 1.962 14.387 -7.117 1.00 0.00 C ATOM 857 C ASP A 55 2.364 15.648 -6.357 1.00 0.00 C ATOM 858 O ASP A 55 1.951 15.857 -5.217 1.00 0.00 O ATOM 859 CB ASP A 55 3.029 13.307 -6.924 1.00 0.00 C ATOM 860 CG ASP A 55 3.160 12.859 -5.482 1.00 0.00 C ATOM 861 OD1 ASP A 55 3.952 13.462 -4.733 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 2.482 11.886 -5.101 1.00 0.00 O1- ATOM 0 H ASP A 55 2.381 14.124 -9.155 1.00 0.00 H new ATOM 0 HA ASP A 55 1.011 14.038 -6.714 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.784 12.446 -7.546 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.990 13.687 -7.270 1.00 0.00 H new ATOM 867 N GLY A 56 3.159 16.493 -7.005 1.00 0.00 N ATOM 868 CA GLY A 56 3.619 17.716 -6.379 1.00 0.00 C ATOM 869 C GLY A 56 5.029 17.593 -5.842 1.00 0.00 C ATOM 870 O GLY A 56 5.263 17.703 -4.642 1.00 0.00 O ATOM 0 H GLY A 56 3.494 16.350 -7.958 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.578 18.530 -7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.944 17.980 -5.565 1.00 0.00 H new ATOM 874 N LYS A 57 5.971 17.356 -6.736 1.00 0.00 N ATOM 875 CA LYS A 57 7.372 17.284 -6.372 1.00 0.00 C ATOM 876 C LYS A 57 8.023 18.644 -6.587 1.00 0.00 C ATOM 877 O LYS A 57 7.340 19.615 -6.918 1.00 0.00 O ATOM 878 CB LYS A 57 8.099 16.219 -7.203 1.00 0.00 C ATOM 879 CG LYS A 57 7.493 14.832 -7.094 1.00 0.00 C ATOM 880 CD LYS A 57 7.488 14.330 -5.663 1.00 0.00 C ATOM 881 CE LYS A 57 6.859 12.951 -5.570 1.00 0.00 C ATOM 882 NZ LYS A 57 6.714 12.504 -4.165 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.787 17.209 -7.729 1.00 0.00 H new ATOM 0 HA LYS A 57 7.446 17.004 -5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.096 16.525 -8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.141 16.175 -6.887 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.472 14.850 -7.476 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.056 14.139 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.509 14.294 -5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.938 15.028 -5.031 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.880 12.965 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 57 7.472 12.235 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.930 11.489 -4.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.372 13.038 -3.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.738 12.671 -3.846 1.00 0.00 H new ATOM 896 N ARG A 59 9.329 18.716 -6.405 1.00 0.00 N ATOM 897 CA ARG A 59 10.067 19.956 -6.632 1.00 0.00 C ATOM 898 C ARG A 59 10.259 20.209 -8.124 1.00 0.00 C ATOM 899 O ARG A 59 10.525 21.336 -8.544 1.00 0.00 O ATOM 900 CB ARG A 59 11.428 19.891 -5.936 1.00 0.00 C ATOM 901 CG ARG A 59 12.331 18.800 -6.488 1.00 0.00 C ATOM 902 CD ARG A 59 13.577 18.615 -5.635 1.00 0.00 C ATOM 903 NE ARG A 59 14.454 17.571 -6.163 1.00 0.00 N ATOM 904 CZ ARG A 59 15.372 16.937 -5.436 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.529 17.243 -4.154 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.131 15.998 -5.991 1.00 0.00 N ATOM 0 H ARG A 59 9.906 17.932 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 59 9.488 20.780 -6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.928 20.854 -6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.276 19.723 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.780 17.861 -6.535 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.622 19.050 -7.508 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.124 19.556 -5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.284 18.361 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 59 14.357 17.313 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.947 17.963 -3.727 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.232 16.758 -3.596 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.011 15.762 -6.976 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.834 15.514 -5.432 1.00 0.00 H new ATOM 920 N ALA A 60 10.101 19.158 -8.916 1.00 0.00 N ATOM 921 CA ALA A 60 10.343 19.227 -10.349 1.00 0.00 C ATOM 922 C ALA A 60 9.467 18.220 -11.090 1.00 0.00 C ATOM 923 O ALA A 60 8.928 17.299 -10.470 1.00 0.00 O ATOM 924 CB ALA A 60 11.816 18.966 -10.639 1.00 0.00 C ATOM 0 H ALA A 60 9.804 18.240 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 60 10.085 20.226 -10.701 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.990 19.019 -11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.425 19.717 -10.135 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.088 17.975 -10.276 1.00 0.00 H new ATOM 930 N PRO A 61 9.298 18.402 -12.413 1.00 0.00 N ATOM 931 CA PRO A 61 8.551 17.469 -13.266 1.00 0.00 C ATOM 932 C PRO A 61 9.061 16.046 -13.131 1.00 0.00 C ATOM 933 O PRO A 61 10.270 15.817 -13.017 1.00 0.00 O ATOM 934 CB PRO A 61 8.825 17.982 -14.682 1.00 0.00 C ATOM 935 CG PRO A 61 9.096 19.426 -14.501 1.00 0.00 C ATOM 936 CD PRO A 61 9.812 19.544 -13.185 1.00 0.00 C ATOM 0 HA PRO A 61 7.494 17.435 -13.003 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.676 17.471 -15.133 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.970 17.817 -15.338 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.707 19.815 -15.315 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.170 20.000 -14.496 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.893 19.490 -13.310 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.595 20.492 -12.693 1.00 0.00 H new ATOM 944 N TRP A 62 8.148 15.096 -13.152 1.00 0.00 N ATOM 945 CA TRP A 62 8.510 13.706 -12.998 1.00 0.00 C ATOM 946 C TRP A 62 7.553 12.818 -13.771 1.00 0.00 C ATOM 947 O TRP A 62 6.488 13.262 -14.196 1.00 0.00 O ATOM 948 CB TRP A 62 8.521 13.322 -11.519 1.00 0.00 C ATOM 949 CG TRP A 62 7.171 13.337 -10.863 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.541 14.402 -10.291 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.300 12.219 -10.698 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.333 14.007 -9.763 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.162 12.667 -10.004 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.378 10.880 -11.070 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.111 11.809 -9.670 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.339 10.038 -10.743 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.219 10.505 -10.047 1.00 0.00 C ATOM 0 H TRP A 62 7.149 15.264 -13.274 1.00 0.00 H new ATOM 0 HA TRP A 62 9.512 13.562 -13.401 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.949 12.325 -11.419 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.179 14.006 -10.984 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.932 15.408 -10.257 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.673 14.611 -9.273 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.239 10.508 -11.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.245 12.167 -9.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.390 8.998 -11.029 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.423 9.817 -9.804 1.00 0.00 H new ATOM 968 N CYS A 63 7.929 11.565 -13.955 1.00 0.00 N ATOM 969 CA CYS A 63 7.067 10.623 -14.639 1.00 0.00 C ATOM 970 C CYS A 63 7.401 9.203 -14.213 1.00 0.00 C ATOM 971 O CYS A 63 8.324 8.982 -13.434 1.00 0.00 O ATOM 972 CB CYS A 63 7.218 10.768 -16.157 1.00 0.00 C ATOM 973 SG CYS A 63 8.755 10.045 -16.813 1.00 0.00 S ATOM 0 H CYS A 63 8.820 11.180 -13.642 1.00 0.00 H new ATOM 0 HA CYS A 63 6.033 10.838 -14.369 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.367 10.293 -16.645 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.185 11.826 -16.417 1.00 0.00 H new ATOM 978 N HIS A 64 6.641 8.244 -14.720 1.00 0.00 N ATOM 979 CA HIS A 64 6.873 6.843 -14.410 1.00 0.00 C ATOM 980 C HIS A 64 7.654 6.214 -15.540 1.00 0.00 C ATOM 981 O HIS A 64 7.305 6.382 -16.696 1.00 0.00 O ATOM 982 CB HIS A 64 5.543 6.107 -14.199 1.00 0.00 C ATOM 983 CG HIS A 64 4.765 6.651 -13.048 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.786 7.613 -13.187 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.836 6.375 -11.724 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.295 7.909 -11.999 1.00 0.00 C ATOM 987 NE2 HIS A 64 3.913 7.171 -11.097 1.00 0.00 N ATOM 0 H HIS A 64 5.856 8.412 -15.350 1.00 0.00 H new ATOM 0 HA HIS A 64 7.445 6.767 -13.485 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.943 6.180 -15.106 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.740 5.048 -14.032 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.495 5.662 -11.251 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.519 8.633 -11.799 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.733 7.190 -10.093 1.00 0.00 H new ATOM 996 N THR A 65 8.719 5.515 -15.213 1.00 0.00 N ATOM 997 CA THR A 65 9.570 4.938 -16.232 1.00 0.00 C ATOM 998 C THR A 65 8.968 3.645 -16.756 1.00 0.00 C ATOM 999 O THR A 65 8.341 2.892 -16.010 1.00 0.00 O ATOM 1000 CB THR A 65 10.982 4.664 -15.685 1.00 0.00 C ATOM 1001 OG1 THR A 65 10.949 3.569 -14.770 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.532 5.892 -14.976 1.00 0.00 C ATOM 0 H THR A 65 9.016 5.333 -14.254 1.00 0.00 H new ATOM 0 HA THR A 65 9.646 5.657 -17.047 1.00 0.00 H new ATOM 0 HB THR A 65 11.630 4.420 -16.527 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.513 3.850 -13.939 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.531 5.676 -14.597 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.582 6.725 -15.677 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.878 6.156 -14.145 1.00 0.00 H new ATOM 1010 N THR A 66 9.139 3.405 -18.043 1.00 0.00 N ATOM 1011 CA THR A 66 8.738 2.149 -18.653 1.00 0.00 C ATOM 1012 C THR A 66 9.707 1.017 -18.299 1.00 0.00 C ATOM 1013 O THR A 66 9.794 0.015 -19.009 1.00 0.00 O ATOM 1014 CB THR A 66 8.657 2.300 -20.179 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.831 2.971 -20.656 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.415 3.083 -20.573 1.00 0.00 C ATOM 0 H THR A 66 9.557 4.071 -18.693 1.00 0.00 H new ATOM 0 HA THR A 66 7.755 1.892 -18.259 1.00 0.00 H new ATOM 0 HB THR A 66 8.596 1.309 -20.629 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.228 2.455 -21.388 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.375 3.180 -21.658 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.527 2.557 -20.222 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.451 4.074 -20.121 1.00 0.00 H new ATOM 1024 N ASN A 67 10.430 1.190 -17.198 1.00 0.00 N ATOM 1025 CA ASN A 67 11.391 0.201 -16.733 1.00 0.00 C ATOM 1026 C ASN A 67 10.946 -0.386 -15.406 1.00 0.00 C ATOM 1027 O ASN A 67 10.220 0.252 -14.644 1.00 0.00 O ATOM 1028 CB ASN A 67 12.776 0.834 -16.552 1.00 0.00 C ATOM 1029 CG ASN A 67 13.429 1.233 -17.859 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.174 0.458 -18.452 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.155 2.445 -18.319 1.00 0.00 N ATOM 0 H ASN A 67 10.366 2.018 -16.605 1.00 0.00 H new ATOM 0 HA ASN A 67 11.447 -0.587 -17.484 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.685 1.715 -15.916 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.424 0.130 -16.030 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.568 2.763 -19.195 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.531 3.060 -17.797 1.00 0.00 H new ATOM 1038 N SER A 68 11.383 -1.603 -15.138 1.00 0.00 N ATOM 1039 CA SER A 68 11.145 -2.229 -13.848 1.00 0.00 C ATOM 1040 C SER A 68 12.330 -1.960 -12.928 1.00 0.00 C ATOM 1041 O SER A 68 12.314 -2.300 -11.745 1.00 0.00 O ATOM 1042 CB SER A 68 10.927 -3.733 -14.022 1.00 0.00 C ATOM 1043 OG SER A 68 10.586 -4.351 -12.793 1.00 0.00 O ATOM 0 H SER A 68 11.906 -2.180 -15.797 1.00 0.00 H new ATOM 0 HA SER A 68 10.246 -1.806 -13.400 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.134 -3.906 -14.750 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.832 -4.190 -14.422 1.00 0.00 H new ATOM 0 HG SER A 68 10.903 -3.797 -12.049 1.00 0.00 H new ATOM 1049 N GLN A 69 13.357 -1.331 -13.490 1.00 0.00 N ATOM 1050 CA GLN A 69 14.569 -1.003 -12.753 1.00 0.00 C ATOM 1051 C GLN A 69 14.278 0.089 -11.738 1.00 0.00 C ATOM 1052 O GLN A 69 14.704 0.030 -10.584 1.00 0.00 O ATOM 1053 CB GLN A 69 15.648 -0.522 -13.726 1.00 0.00 C ATOM 1054 CG GLN A 69 15.885 -1.467 -14.890 1.00 0.00 C ATOM 1055 CD GLN A 69 17.002 -1.000 -15.800 1.00 0.00 C ATOM 1056 OE1 GLN A 69 18.172 -1.288 -15.558 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.651 -0.300 -16.868 1.00 0.00 N ATOM 0 H GLN A 69 13.371 -1.036 -14.466 1.00 0.00 H new ATOM 0 HA GLN A 69 14.920 -1.893 -12.231 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.364 0.456 -14.115 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.583 -0.389 -13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 69 16.125 -2.458 -14.506 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.966 -1.563 -15.468 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.669 -0.081 -17.034 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.363 0.020 -17.525 1.00 0.00 H new ATOM 1066 N VAL A 70 13.533 1.075 -12.192 1.00 0.00 N ATOM 1067 CA VAL A 70 13.193 2.231 -11.397 1.00 0.00 C ATOM 1068 C VAL A 70 11.700 2.508 -11.520 1.00 0.00 C ATOM 1069 O VAL A 70 11.078 2.129 -12.509 1.00 0.00 O ATOM 1070 CB VAL A 70 14.011 3.450 -11.878 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.835 3.655 -13.371 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.645 4.712 -11.115 1.00 0.00 C ATOM 0 H VAL A 70 13.143 1.094 -13.134 1.00 0.00 H new ATOM 0 HA VAL A 70 13.432 2.042 -10.350 1.00 0.00 H new ATOM 0 HB VAL A 70 15.061 3.241 -11.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.419 4.518 -13.691 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.178 2.768 -13.903 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.782 3.827 -13.593 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.242 5.546 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.587 4.931 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 70 13.842 4.565 -10.053 1.00 0.00 H new ATOM 1082 N ARG A 71 11.115 3.134 -10.517 1.00 0.00 N ATOM 1083 CA ARG A 71 9.714 3.490 -10.587 1.00 0.00 C ATOM 1084 C ARG A 71 9.551 4.823 -11.308 1.00 0.00 C ATOM 1085 O ARG A 71 9.487 4.870 -12.540 1.00 0.00 O ATOM 1086 CB ARG A 71 9.091 3.544 -9.192 1.00 0.00 C ATOM 1087 CG ARG A 71 7.593 3.811 -9.208 1.00 0.00 C ATOM 1088 CD ARG A 71 6.963 3.556 -7.849 1.00 0.00 C ATOM 1089 NE ARG A 71 7.446 4.475 -6.813 1.00 0.00 N ATOM 1090 CZ ARG A 71 7.874 4.075 -5.614 1.00 0.00 C ATOM 1091 NH1 ARG A 71 8.065 2.785 -5.369 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 8.145 4.966 -4.674 1.00 0.00 N ATOM 0 H ARG A 71 11.584 3.404 -9.652 1.00 0.00 H new ATOM 0 HA ARG A 71 9.188 2.721 -11.152 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.279 2.599 -8.682 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.585 4.323 -8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.410 4.843 -9.506 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.118 3.175 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.880 3.649 -7.933 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.172 2.531 -7.544 1.00 0.00 H new ATOM 0 HE ARG A 71 7.455 5.474 -7.020 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.885 2.095 -6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.392 2.483 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.027 5.961 -4.865 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.472 4.658 -3.758 1.00 0.00 H new ATOM 1106 N TRP A 72 9.474 5.903 -10.547 1.00 0.00 N ATOM 1107 CA TRP A 72 9.366 7.226 -11.133 1.00 0.00 C ATOM 1108 C TRP A 72 10.738 7.889 -11.252 1.00 0.00 C ATOM 1109 O TRP A 72 11.696 7.485 -10.587 1.00 0.00 O ATOM 1110 CB TRP A 72 8.387 8.098 -10.343 1.00 0.00 C ATOM 1111 CG TRP A 72 8.818 8.422 -8.948 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.766 7.606 -7.858 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.339 9.670 -8.492 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.232 8.266 -6.754 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.590 9.539 -7.115 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.622 10.886 -9.119 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.110 10.582 -6.352 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.132 11.919 -8.364 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.372 11.764 -6.993 1.00 0.00 C ATOM 0 H TRP A 72 9.484 5.888 -9.527 1.00 0.00 H new ATOM 0 HA TRP A 72 8.968 7.116 -12.142 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.234 9.030 -10.886 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.423 7.591 -10.302 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.409 6.587 -7.865 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.302 7.874 -5.815 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.444 11.014 -10.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.299 10.463 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.351 12.865 -8.837 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.772 12.594 -6.429 1.00 0.00 H new ATOM 1130 N GLU A 73 10.818 8.908 -12.092 1.00 0.00 N ATOM 1131 CA GLU A 73 12.056 9.634 -12.339 1.00 0.00 C ATOM 1132 C GLU A 73 11.744 11.100 -12.584 1.00 0.00 C ATOM 1133 O GLU A 73 10.694 11.430 -13.137 1.00 0.00 O ATOM 1134 CB GLU A 73 12.766 9.054 -13.564 1.00 0.00 C ATOM 1135 CG GLU A 73 13.778 7.970 -13.263 1.00 0.00 C ATOM 1136 CD GLU A 73 15.165 8.520 -13.003 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.917 8.721 -13.980 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.515 8.742 -11.825 1.00 0.00 O1- ATOM 0 H GLU A 73 10.022 9.258 -12.625 1.00 0.00 H new ATOM 0 HA GLU A 73 12.706 9.538 -11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.015 8.651 -14.243 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.270 9.864 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.448 7.402 -12.393 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.819 7.274 -14.101 1.00 0.00 H new ATOM 1145 N TYR A 74 12.645 11.970 -12.156 1.00 0.00 N ATOM 1146 CA TYR A 74 12.533 13.392 -12.446 1.00 0.00 C ATOM 1147 C TYR A 74 12.882 13.657 -13.900 1.00 0.00 C ATOM 1148 O TYR A 74 13.404 12.782 -14.591 1.00 0.00 O ATOM 1149 CB TYR A 74 13.469 14.208 -11.553 1.00 0.00 C ATOM 1150 CG TYR A 74 13.021 14.324 -10.115 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.897 15.066 -9.777 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.730 13.704 -9.096 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.496 15.188 -8.460 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.332 13.819 -7.780 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.215 14.562 -7.468 1.00 0.00 C ATOM 1156 OH TYR A 74 11.819 14.681 -6.157 1.00 0.00 O ATOM 0 H TYR A 74 13.465 11.716 -11.605 1.00 0.00 H new ATOM 0 HA TYR A 74 11.504 13.693 -12.251 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.460 13.754 -11.576 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.568 15.210 -11.971 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.328 15.555 -10.554 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.607 13.122 -9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.622 15.772 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.893 13.329 -6.998 1.00 0.00 H new ATOM 0 HH TYR A 74 12.433 14.178 -5.583 1.00 0.00 H new ATOM 1166 N CYS A 75 12.595 14.861 -14.361 1.00 0.00 N ATOM 1167 CA CYS A 75 12.969 15.269 -15.705 1.00 0.00 C ATOM 1168 C CYS A 75 13.683 16.610 -15.668 1.00 0.00 C ATOM 1169 O CYS A 75 13.229 17.548 -15.010 1.00 0.00 O ATOM 1170 CB CYS A 75 11.745 15.386 -16.605 1.00 0.00 C ATOM 1171 SG CYS A 75 10.666 13.925 -16.640 1.00 0.00 S ATOM 0 H CYS A 75 12.103 15.575 -13.824 1.00 0.00 H new ATOM 0 HA CYS A 75 13.634 14.505 -16.108 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.157 16.244 -16.281 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.080 15.595 -17.621 1.00 0.00 H new ATOM 1176 N LYS A 76 14.788 16.710 -16.382 1.00 0.00 N ATOM 1177 CA LYS A 76 15.543 17.948 -16.412 1.00 0.00 C ATOM 1178 C LYS A 76 15.019 18.866 -17.507 1.00 0.00 C ATOM 1179 O LYS A 76 15.434 18.784 -18.667 1.00 0.00 O ATOM 1180 CB LYS A 76 17.039 17.683 -16.599 1.00 0.00 C ATOM 1181 CG LYS A 76 17.858 18.954 -16.757 1.00 0.00 C ATOM 1182 CD LYS A 76 19.344 18.669 -16.696 1.00 0.00 C ATOM 1183 CE LYS A 76 19.787 18.330 -15.282 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.464 19.421 -14.325 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.181 15.955 -16.945 1.00 0.00 H new ATOM 0 HA LYS A 76 15.411 18.444 -15.450 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.412 17.123 -15.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.183 17.054 -17.478 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.616 19.428 -17.708 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.590 19.661 -15.972 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.585 17.841 -17.363 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.897 19.537 -17.054 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.301 17.409 -14.960 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.861 18.144 -15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 20.080 19.344 -13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.616 20.342 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.470 19.341 -14.030 1.00 0.00 H new ATOM 1198 N ILE A 77 14.072 19.708 -17.132 1.00 0.00 N ATOM 1199 CA ILE A 77 13.582 20.750 -18.017 1.00 0.00 C ATOM 1200 C ILE A 77 14.454 21.990 -17.808 1.00 0.00 C ATOM 1201 O ILE A 77 14.953 22.195 -16.701 1.00 0.00 O ATOM 1202 CB ILE A 77 12.095 21.093 -17.713 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.253 19.821 -17.540 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.495 21.972 -18.803 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.378 18.816 -18.665 1.00 0.00 C ATOM 0 H ILE A 77 13.625 19.690 -16.215 1.00 0.00 H new ATOM 0 HA ILE A 77 13.635 20.406 -19.050 1.00 0.00 H new ATOM 0 HB ILE A 77 12.079 21.648 -16.775 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.540 19.337 -16.606 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.206 20.107 -17.442 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.456 22.194 -18.561 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.058 22.903 -18.871 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.541 21.449 -19.758 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.747 17.953 -18.453 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.061 19.276 -19.601 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.416 18.495 -18.752 1.00 0.00 H new ATOM 1217 N PRO A 78 14.690 22.819 -18.848 1.00 0.00 N ATOM 1218 CA PRO A 78 15.452 24.070 -18.699 1.00 0.00 C ATOM 1219 C PRO A 78 14.751 25.036 -17.751 1.00 0.00 C ATOM 1220 O PRO A 78 13.779 24.678 -17.117 1.00 0.00 O ATOM 1221 CB PRO A 78 15.486 24.643 -20.118 1.00 0.00 C ATOM 1222 CG PRO A 78 15.208 23.484 -21.004 1.00 0.00 C ATOM 1223 CD PRO A 78 14.250 22.628 -20.236 1.00 0.00 C ATOM 0 HA PRO A 78 16.444 23.906 -18.277 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.739 25.426 -20.246 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.456 25.088 -20.342 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.776 23.807 -21.951 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.122 22.939 -21.239 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.217 22.945 -20.381 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.308 21.583 -20.539 1.00 0.00 H new ATOM 1231 N SER A 79 15.206 26.266 -17.678 1.00 0.00 N ATOM 1232 CA SER A 79 14.649 27.222 -16.726 1.00 0.00 C ATOM 1233 C SER A 79 15.023 28.649 -17.090 1.00 0.00 C ATOM 1234 O SER A 79 16.193 29.031 -17.027 1.00 0.00 O ATOM 1235 CB SER A 79 15.125 26.929 -15.297 1.00 0.00 C ATOM 1236 OG SER A 79 14.623 25.693 -14.818 1.00 0.00 O ATOM 0 H SER A 79 15.957 26.635 -18.261 1.00 0.00 H new ATOM 0 HA SER A 79 13.565 27.114 -16.772 1.00 0.00 H new ATOM 0 HB2 SER A 79 16.215 26.913 -15.273 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.804 27.733 -14.635 1.00 0.00 H new ATOM 0 HG SER A 79 14.303 25.156 -15.572 1.00 0.00 H new ATOM 1242 N CYS A 80 14.027 29.434 -17.469 1.00 0.00 N ATOM 1243 CA CYS A 80 14.234 30.850 -17.719 1.00 0.00 C ATOM 1244 C CYS A 80 14.370 31.573 -16.387 1.00 0.00 C ATOM 1245 O CYS A 80 14.964 32.647 -16.296 1.00 0.00 O ATOM 1246 CB CYS A 80 13.062 31.428 -18.518 1.00 0.00 C ATOM 1247 SG CYS A 80 12.674 30.503 -20.041 1.00 0.00 S ATOM 0 H CYS A 80 13.069 29.114 -17.610 1.00 0.00 H new ATOM 0 HA CYS A 80 15.144 30.986 -18.304 1.00 0.00 H new ATOM 0 HB2 CYS A 80 12.177 31.448 -17.882 1.00 0.00 H new ATOM 0 HB3 CYS A 80 13.289 32.461 -18.781 1.00 0.00 H new ATOM 1252 N ASP A 81 13.818 30.952 -15.353 1.00 0.00 N ATOM 1253 CA ASP A 81 13.852 31.496 -14.003 1.00 0.00 C ATOM 1254 C ASP A 81 15.065 30.979 -13.247 1.00 0.00 C ATOM 1255 O ASP A 81 14.932 30.272 -12.248 1.00 0.00 O ATOM 1256 CB ASP A 81 12.571 31.133 -13.250 1.00 0.00 C ATOM 1257 CG ASP A 81 11.342 31.769 -13.863 1.00 0.00 C ATOM 1258 OD1 ASP A 81 10.987 32.895 -13.463 1.00 0.00 O1- ATOM 1259 OD2 ASP A 81 10.721 31.147 -14.749 1.00 0.00 O1- ATOM 0 H ASP A 81 13.334 30.057 -15.427 1.00 0.00 H new ATOM 0 HA ASP A 81 13.924 32.581 -14.074 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.451 30.050 -13.243 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.661 31.450 -12.211 1.00 0.00 H new ATOM 1264 N SER A 82 16.246 31.324 -13.730 1.00 0.00 N ATOM 1265 CA SER A 82 17.478 30.915 -13.080 1.00 0.00 C ATOM 1266 C SER A 82 17.825 31.900 -11.970 1.00 0.00 C ATOM 1267 O SER A 82 18.176 33.054 -12.292 1.00 0.00 O ATOM 1268 CB SER A 82 18.616 30.834 -14.102 1.00 0.00 C ATOM 1269 OG SER A 82 18.301 29.924 -15.148 1.00 0.00 O ATOM 1270 OXT SER A 82 17.715 31.529 -10.785 1.00 0.00 O1- ATOM 0 H SER A 82 16.377 31.887 -14.571 1.00 0.00 H new ATOM 0 HA SER A 82 17.340 29.926 -12.643 1.00 0.00 H new ATOM 0 HB2 SER A 82 18.804 31.823 -14.520 1.00 0.00 H new ATOM 0 HB3 SER A 82 19.533 30.518 -13.605 1.00 0.00 H new ATOM 0 HG SER A 82 19.043 29.892 -15.788 1.00 0.00 H new TER 1276 SER A 82