USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 764 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 67 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 ASN : amide:sc= -3.1! C(o=-3.1!,f=-4.3!) USER MOD Set 3.1: A 19 THR OG1 : rot 180:sc= -2.14! USER MOD Set 3.2: A 62 THR OG1 : rot -107:sc= 0.825 USER MOD Set 4.1: A 14 THR OG1 : rot 88:sc= 0.953 USER MOD Set 4.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.98 K(o=-0.98,f=0) USER MOD Single : A 16 HIS : no HE2:sc= -1.16 K(o=-1.2,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0713) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -65:sc= 0.664 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 69:sc= 0.971 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.87!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.427 K(o=-0.43,f=-8!) USER MOD Single : A 54 SER OG : rot -83:sc= 1.24 USER MOD Single : A 55 ASN : amide:sc= -1.57 K(o=-1.6,f=-0.33) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 86 SER OG : rot -30:sc= 0.197! USER MOD Single : A 89 SER OG : rot -120:sc= 0.841 USER MOD Single : A 92 SER OG : rot -73:sc= 0.79 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 97 CYS SG : rot 67:sc= -2! USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 2 -18.427 -3.764 -5.841 1.00 0.68 N ATOM 27 CA ILE A 2 -17.426 -3.057 -5.053 1.00 0.61 C ATOM 28 C ILE A 2 -16.209 -2.716 -5.907 1.00 0.57 C ATOM 29 O ILE A 2 -15.787 -3.510 -6.748 1.00 0.63 O ATOM 30 CB ILE A 2 -16.976 -3.888 -3.835 1.00 0.62 C ATOM 31 CG1 ILE A 2 -16.084 -3.041 -2.916 1.00 0.60 C ATOM 32 CG2 ILE A 2 -16.256 -5.147 -4.299 1.00 0.66 C ATOM 33 CD1 ILE A 2 -15.291 -3.833 -1.885 1.00 0.56 C ATOM 0 HA ILE A 2 -17.889 -2.137 -4.696 1.00 0.61 H new ATOM 0 HB ILE A 2 -17.853 -4.192 -3.264 1.00 0.62 H new ATOM 0 HG12 ILE A 2 -15.386 -2.474 -3.533 1.00 0.60 H new ATOM 0 HG13 ILE A 2 -16.709 -2.317 -2.394 1.00 0.60 H new ATOM 0 HG21 ILE A 2 -15.942 -5.727 -3.431 1.00 0.66 H new ATOM 0 HG22 ILE A 2 -16.929 -5.746 -4.912 1.00 0.66 H new ATOM 0 HG23 ILE A 2 -15.381 -4.870 -4.886 1.00 0.66 H new ATOM 0 HD11 ILE A 2 -14.692 -3.150 -1.283 1.00 0.56 H new ATOM 0 HD12 ILE A 2 -15.978 -4.379 -1.238 1.00 0.56 H new ATOM 0 HD13 ILE A 2 -14.635 -4.539 -2.394 1.00 0.56 H new ATOM 45 N ASP A 3 -15.649 -1.534 -5.687 1.00 0.55 N ATOM 46 CA ASP A 3 -14.480 -1.091 -6.437 1.00 0.54 C ATOM 47 C ASP A 3 -13.385 -0.612 -5.488 1.00 0.47 C ATOM 48 O ASP A 3 -13.592 0.332 -4.726 1.00 0.49 O ATOM 49 CB ASP A 3 -14.864 0.034 -7.401 1.00 0.61 C ATOM 50 CG ASP A 3 -16.332 0.401 -7.308 1.00 1.15 C ATOM 51 OD1 ASP A 3 -17.157 -0.281 -7.951 1.00 1.64 O ATOM 52 OD2 ASP A 3 -16.658 1.372 -6.592 1.00 2.00 O ATOM 0 H ASP A 3 -15.985 -0.864 -4.995 1.00 0.55 H new ATOM 0 HA ASP A 3 -14.100 -1.936 -7.011 1.00 0.54 H new ATOM 0 HB2 ASP A 3 -14.258 0.914 -7.187 1.00 0.61 H new ATOM 0 HB3 ASP A 3 -14.633 -0.271 -8.422 1.00 0.61 H new ATOM 57 N PRO A 4 -12.202 -1.251 -5.513 1.00 0.44 N ATOM 58 CA PRO A 4 -11.090 -0.867 -4.641 1.00 0.41 C ATOM 59 C PRO A 4 -10.557 0.522 -4.974 1.00 0.38 C ATOM 60 O PRO A 4 -10.814 1.052 -6.056 1.00 0.43 O ATOM 61 CB PRO A 4 -10.034 -1.945 -4.901 1.00 0.45 C ATOM 62 CG PRO A 4 -10.364 -2.491 -6.246 1.00 0.50 C ATOM 63 CD PRO A 4 -11.856 -2.387 -6.386 1.00 0.50 C ATOM 0 HA PRO A 4 -11.388 -0.808 -3.594 1.00 0.41 H new ATOM 0 HB2 PRO A 4 -9.028 -1.525 -4.881 1.00 0.45 H new ATOM 0 HB3 PRO A 4 -10.069 -2.724 -4.139 1.00 0.45 H new ATOM 0 HG2 PRO A 4 -9.859 -1.926 -7.030 1.00 0.50 H new ATOM 0 HG3 PRO A 4 -10.036 -3.526 -6.337 1.00 0.50 H new ATOM 0 HD2 PRO A 4 -12.151 -2.204 -7.419 1.00 0.50 H new ATOM 0 HD3 PRO A 4 -12.354 -3.303 -6.070 1.00 0.50 H new ATOM 71 N PRO A 5 -9.812 1.139 -4.041 1.00 0.37 N ATOM 72 CA PRO A 5 -9.253 2.485 -4.235 1.00 0.39 C ATOM 73 C PRO A 5 -8.203 2.545 -5.340 1.00 0.38 C ATOM 74 O PRO A 5 -7.721 1.516 -5.815 1.00 0.47 O ATOM 75 CB PRO A 5 -8.623 2.811 -2.878 1.00 0.46 C ATOM 76 CG PRO A 5 -8.373 1.487 -2.241 1.00 0.71 C ATOM 77 CD PRO A 5 -9.469 0.580 -2.720 1.00 0.43 C ATOM 0 HA PRO A 5 -10.021 3.193 -4.548 1.00 0.39 H new ATOM 0 HB2 PRO A 5 -7.697 3.373 -2.998 1.00 0.46 H new ATOM 0 HB3 PRO A 5 -9.290 3.422 -2.270 1.00 0.46 H new ATOM 0 HG2 PRO A 5 -7.394 1.098 -2.522 1.00 0.71 H new ATOM 0 HG3 PRO A 5 -8.383 1.570 -1.154 1.00 0.71 H new ATOM 0 HD2 PRO A 5 -9.133 -0.454 -2.795 1.00 0.43 H new ATOM 0 HD3 PRO A 5 -10.324 0.589 -2.044 1.00 0.43 H new ATOM 85 N GLY A 6 -7.858 3.766 -5.746 1.00 0.37 N ATOM 86 CA GLY A 6 -6.873 3.960 -6.796 1.00 0.39 C ATOM 87 C GLY A 6 -5.527 3.347 -6.464 1.00 0.42 C ATOM 88 O GLY A 6 -5.186 3.178 -5.293 1.00 0.66 O ATOM 0 H GLY A 6 -8.246 4.628 -5.363 1.00 0.37 H new ATOM 0 HA2 GLY A 6 -7.246 3.524 -7.722 1.00 0.39 H new ATOM 0 HA3 GLY A 6 -6.746 5.028 -6.975 1.00 0.39 H new ATOM 92 N LYS A 7 -4.758 3.017 -7.497 1.00 0.41 N ATOM 93 CA LYS A 7 -3.440 2.426 -7.305 1.00 0.44 C ATOM 94 C LYS A 7 -2.600 3.305 -6.379 1.00 0.37 C ATOM 95 O LYS A 7 -2.626 4.530 -6.496 1.00 0.42 O ATOM 96 CB LYS A 7 -2.732 2.251 -8.658 1.00 0.54 C ATOM 97 CG LYS A 7 -1.233 1.993 -8.549 1.00 0.64 C ATOM 98 CD LYS A 7 -0.775 0.919 -9.521 1.00 1.01 C ATOM 99 CE LYS A 7 0.422 1.379 -10.337 1.00 0.95 C ATOM 100 NZ LYS A 7 0.260 1.072 -11.785 1.00 1.52 N ATOM 0 H LYS A 7 -5.025 3.149 -8.473 1.00 0.41 H new ATOM 0 HA LYS A 7 -3.560 1.445 -6.845 1.00 0.44 H new ATOM 0 HB2 LYS A 7 -3.194 1.421 -9.193 1.00 0.54 H new ATOM 0 HB3 LYS A 7 -2.893 3.147 -9.258 1.00 0.54 H new ATOM 0 HG2 LYS A 7 -0.690 2.917 -8.746 1.00 0.64 H new ATOM 0 HG3 LYS A 7 -0.989 1.690 -7.531 1.00 0.64 H new ATOM 0 HD2 LYS A 7 -0.515 0.015 -8.970 1.00 1.01 H new ATOM 0 HD3 LYS A 7 -1.595 0.659 -10.191 1.00 1.01 H new ATOM 0 HE2 LYS A 7 0.559 2.453 -10.207 1.00 0.95 H new ATOM 0 HE3 LYS A 7 1.324 0.895 -9.962 1.00 0.95 H new ATOM 0 HZ1 LYS A 7 1.098 1.402 -12.306 1.00 1.52 H new ATOM 0 HZ2 LYS A 7 0.155 0.045 -11.913 1.00 1.52 H new ATOM 0 HZ3 LYS A 7 -0.586 1.554 -12.150 1.00 1.52 H new ATOM 114 N PRO A 8 -1.836 2.706 -5.447 1.00 0.34 N ATOM 115 CA PRO A 8 -0.993 3.460 -4.521 1.00 0.32 C ATOM 116 C PRO A 8 0.320 3.884 -5.165 1.00 0.33 C ATOM 117 O PRO A 8 1.142 3.043 -5.521 1.00 0.44 O ATOM 118 CB PRO A 8 -0.731 2.471 -3.372 1.00 0.39 C ATOM 119 CG PRO A 8 -1.474 1.218 -3.722 1.00 0.44 C ATOM 120 CD PRO A 8 -1.710 1.263 -5.205 1.00 0.41 C ATOM 0 HA PRO A 8 -1.472 4.384 -4.196 1.00 0.32 H new ATOM 0 HB2 PRO A 8 0.336 2.274 -3.264 1.00 0.39 H new ATOM 0 HB3 PRO A 8 -1.078 2.877 -2.422 1.00 0.39 H new ATOM 0 HG2 PRO A 8 -0.897 0.335 -3.448 1.00 0.44 H new ATOM 0 HG3 PRO A 8 -2.418 1.163 -3.180 1.00 0.44 H new ATOM 0 HD2 PRO A 8 -0.883 0.826 -5.764 1.00 0.41 H new ATOM 0 HD3 PRO A 8 -2.611 0.720 -5.492 1.00 0.41 H new ATOM 128 N VAL A 9 0.515 5.190 -5.311 1.00 0.34 N ATOM 129 CA VAL A 9 1.739 5.708 -5.912 1.00 0.38 C ATOM 130 C VAL A 9 2.609 6.390 -4.859 1.00 0.34 C ATOM 131 O VAL A 9 2.257 7.455 -4.346 1.00 0.35 O ATOM 132 CB VAL A 9 1.439 6.703 -7.050 1.00 0.43 C ATOM 133 CG1 VAL A 9 0.767 7.955 -6.511 1.00 1.09 C ATOM 134 CG2 VAL A 9 2.713 7.055 -7.802 1.00 0.53 C ATOM 0 H VAL A 9 -0.153 5.905 -5.024 1.00 0.34 H new ATOM 0 HA VAL A 9 2.275 4.857 -6.332 1.00 0.38 H new ATOM 0 HB VAL A 9 0.751 6.226 -7.748 1.00 0.43 H new ATOM 0 HG11 VAL A 9 0.565 8.642 -7.333 1.00 1.09 H new ATOM 0 HG12 VAL A 9 -0.171 7.684 -6.026 1.00 1.09 H new ATOM 0 HG13 VAL A 9 1.424 8.438 -5.787 1.00 1.09 H new ATOM 0 HG21 VAL A 9 2.481 7.758 -8.602 1.00 0.53 H new ATOM 0 HG22 VAL A 9 3.427 7.509 -7.115 1.00 0.53 H new ATOM 0 HG23 VAL A 9 3.145 6.150 -8.229 1.00 0.53 H new ATOM 144 N PRO A 10 3.755 5.778 -4.503 1.00 0.34 N ATOM 145 CA PRO A 10 4.652 6.329 -3.500 1.00 0.32 C ATOM 146 C PRO A 10 4.832 7.838 -3.622 1.00 0.37 C ATOM 147 O PRO A 10 5.205 8.351 -4.677 1.00 0.64 O ATOM 148 CB PRO A 10 5.966 5.608 -3.746 1.00 0.38 C ATOM 149 CG PRO A 10 5.579 4.295 -4.341 1.00 0.39 C ATOM 150 CD PRO A 10 4.253 4.497 -5.033 1.00 0.42 C ATOM 0 HA PRO A 10 4.257 6.182 -2.495 1.00 0.32 H new ATOM 0 HB2 PRO A 10 6.607 6.174 -4.422 1.00 0.38 H new ATOM 0 HB3 PRO A 10 6.522 5.473 -2.818 1.00 0.38 H new ATOM 0 HG2 PRO A 10 6.335 3.955 -5.048 1.00 0.39 H new ATOM 0 HG3 PRO A 10 5.498 3.530 -3.568 1.00 0.39 H new ATOM 0 HD2 PRO A 10 4.371 4.534 -6.116 1.00 0.42 H new ATOM 0 HD3 PRO A 10 3.563 3.682 -4.816 1.00 0.42 H new ATOM 158 N LEU A 11 4.565 8.535 -2.526 1.00 0.34 N ATOM 159 CA LEU A 11 4.688 9.977 -2.469 1.00 0.43 C ATOM 160 C LEU A 11 6.108 10.355 -2.039 1.00 0.43 C ATOM 161 O LEU A 11 6.663 11.362 -2.477 1.00 0.57 O ATOM 162 CB LEU A 11 3.610 10.510 -1.508 1.00 0.56 C ATOM 163 CG LEU A 11 4.040 11.545 -0.469 1.00 0.92 C ATOM 164 CD1 LEU A 11 4.326 12.875 -1.138 1.00 1.64 C ATOM 165 CD2 LEU A 11 2.958 11.693 0.591 1.00 1.12 C ATOM 0 H LEU A 11 4.256 8.111 -1.651 1.00 0.34 H new ATOM 0 HA LEU A 11 4.527 10.431 -3.447 1.00 0.43 H new ATOM 0 HB2 LEU A 11 2.811 10.947 -2.108 1.00 0.56 H new ATOM 0 HB3 LEU A 11 3.182 9.659 -0.978 1.00 0.56 H new ATOM 0 HG LEU A 11 4.956 11.206 0.015 1.00 0.92 H new ATOM 0 HD11 LEU A 11 4.631 13.602 -0.386 1.00 1.64 H new ATOM 0 HD12 LEU A 11 5.126 12.751 -1.868 1.00 1.64 H new ATOM 0 HD13 LEU A 11 3.427 13.230 -1.642 1.00 1.64 H new ATOM 0 HD21 LEU A 11 3.270 12.432 1.329 1.00 1.12 H new ATOM 0 HD22 LEU A 11 2.030 12.019 0.121 1.00 1.12 H new ATOM 0 HD23 LEU A 11 2.798 10.734 1.084 1.00 1.12 H new ATOM 177 N ASN A 12 6.689 9.516 -1.191 1.00 0.34 N ATOM 178 CA ASN A 12 8.045 9.720 -0.696 1.00 0.36 C ATOM 179 C ASN A 12 8.613 8.398 -0.209 1.00 0.37 C ATOM 180 O ASN A 12 8.165 7.848 0.793 1.00 0.58 O ATOM 181 CB ASN A 12 8.065 10.753 0.429 1.00 0.42 C ATOM 182 CG ASN A 12 9.386 11.496 0.521 1.00 0.58 C ATOM 183 OD1 ASN A 12 9.414 12.726 0.548 1.00 0.72 O ATOM 184 ND2 ASN A 12 10.491 10.756 0.568 1.00 0.71 N ATOM 0 H ASN A 12 6.236 8.678 -0.828 1.00 0.34 H new ATOM 0 HA ASN A 12 8.662 10.099 -1.511 1.00 0.36 H new ATOM 0 HB2 ASN A 12 7.260 11.471 0.272 1.00 0.42 H new ATOM 0 HB3 ASN A 12 7.867 10.254 1.378 1.00 0.42 H new ATOM 0 HD21 ASN A 12 11.404 11.206 0.629 1.00 0.71 H new ATOM 0 HD22 ASN A 12 10.425 9.738 0.543 1.00 0.71 H new ATOM 191 N ILE A 13 9.595 7.887 -0.930 1.00 0.38 N ATOM 192 CA ILE A 13 10.212 6.618 -0.578 1.00 0.43 C ATOM 193 C ILE A 13 11.564 6.798 0.097 1.00 0.53 C ATOM 194 O ILE A 13 12.363 7.652 -0.287 1.00 0.75 O ATOM 195 CB ILE A 13 10.372 5.741 -1.823 1.00 0.48 C ATOM 196 CG1 ILE A 13 11.380 6.391 -2.788 1.00 0.49 C ATOM 197 CG2 ILE A 13 9.004 5.541 -2.468 1.00 0.53 C ATOM 198 CD1 ILE A 13 11.156 6.066 -4.247 1.00 0.96 C ATOM 0 H ILE A 13 9.983 8.330 -1.763 1.00 0.38 H new ATOM 0 HA ILE A 13 9.548 6.130 0.136 1.00 0.43 H new ATOM 0 HB ILE A 13 10.765 4.760 -1.554 1.00 0.48 H new ATOM 0 HG12 ILE A 13 11.339 7.473 -2.660 1.00 0.49 H new ATOM 0 HG13 ILE A 13 12.385 6.075 -2.509 1.00 0.49 H new ATOM 0 HG21 ILE A 13 9.108 4.917 -3.356 1.00 0.53 H new ATOM 0 HG22 ILE A 13 8.335 5.054 -1.759 1.00 0.53 H new ATOM 0 HG23 ILE A 13 8.590 6.509 -2.751 1.00 0.53 H new ATOM 0 HD11 ILE A 13 11.912 6.567 -4.852 1.00 0.96 H new ATOM 0 HD12 ILE A 13 11.228 4.988 -4.395 1.00 0.96 H new ATOM 0 HD13 ILE A 13 10.166 6.408 -4.548 1.00 0.96 H new ATOM 210 N THR A 14 11.807 5.974 1.109 1.00 0.59 N ATOM 211 CA THR A 14 13.052 6.010 1.858 1.00 0.71 C ATOM 212 C THR A 14 13.562 4.592 2.101 1.00 0.79 C ATOM 213 O THR A 14 12.783 3.672 2.346 1.00 1.46 O ATOM 214 CB THR A 14 12.855 6.741 3.188 1.00 0.75 C ATOM 215 OG1 THR A 14 11.591 7.381 3.224 1.00 0.69 O ATOM 216 CG2 THR A 14 13.908 7.798 3.455 1.00 0.94 C ATOM 0 H THR A 14 11.148 5.265 1.431 1.00 0.59 H new ATOM 0 HA THR A 14 13.795 6.553 1.273 1.00 0.71 H new ATOM 0 HB THR A 14 12.934 5.970 3.955 1.00 0.75 H new ATOM 0 HG1 THR A 14 10.918 6.756 3.566 1.00 0.69 H new ATOM 0 HG21 THR A 14 13.708 8.277 4.414 1.00 0.94 H new ATOM 0 HG22 THR A 14 14.893 7.332 3.480 1.00 0.94 H new ATOM 0 HG23 THR A 14 13.881 8.547 2.663 1.00 0.94 H new ATOM 224 N ARG A 15 14.874 4.426 2.017 1.00 0.66 N ATOM 225 CA ARG A 15 15.510 3.120 2.209 1.00 0.67 C ATOM 226 C ARG A 15 14.932 2.336 3.394 1.00 0.71 C ATOM 227 O ARG A 15 15.026 1.110 3.428 1.00 1.19 O ATOM 228 CB ARG A 15 17.027 3.269 2.380 1.00 0.80 C ATOM 229 CG ARG A 15 17.475 4.622 2.911 1.00 0.96 C ATOM 230 CD ARG A 15 16.667 5.044 4.127 1.00 1.13 C ATOM 231 NE ARG A 15 17.429 5.924 5.011 1.00 1.43 N ATOM 232 CZ ARG A 15 18.279 5.487 5.937 1.00 1.67 C ATOM 233 NH1 ARG A 15 18.479 4.186 6.104 1.00 2.42 N ATOM 234 NH2 ARG A 15 18.934 6.355 6.696 1.00 1.90 N ATOM 0 H ARG A 15 15.528 5.183 1.816 1.00 0.66 H new ATOM 0 HA ARG A 15 15.296 2.548 1.306 1.00 0.67 H new ATOM 0 HB2 ARG A 15 17.381 2.492 3.058 1.00 0.80 H new ATOM 0 HB3 ARG A 15 17.507 3.094 1.417 1.00 0.80 H new ATOM 0 HG2 ARG A 15 18.532 4.578 3.174 1.00 0.96 H new ATOM 0 HG3 ARG A 15 17.372 5.373 2.127 1.00 0.96 H new ATOM 0 HD2 ARG A 15 15.760 5.554 3.801 1.00 1.13 H new ATOM 0 HD3 ARG A 15 16.353 4.158 4.679 1.00 1.13 H new ATOM 0 HE ARG A 15 17.302 6.931 4.912 1.00 1.43 H new ATOM 0 HH11 ARG A 15 17.980 3.514 5.521 1.00 2.42 H new ATOM 0 HH12 ARG A 15 19.132 3.858 6.816 1.00 2.42 H new ATOM 0 HH21 ARG A 15 18.786 7.356 6.570 1.00 1.90 H new ATOM 0 HH22 ARG A 15 19.586 6.021 7.406 1.00 1.90 H new ATOM 248 N HIS A 16 14.344 3.021 4.371 1.00 0.50 N ATOM 249 CA HIS A 16 13.783 2.326 5.530 1.00 0.54 C ATOM 250 C HIS A 16 12.296 2.623 5.727 1.00 0.57 C ATOM 251 O HIS A 16 11.682 2.112 6.663 1.00 0.97 O ATOM 252 CB HIS A 16 14.545 2.698 6.798 1.00 0.67 C ATOM 253 CG HIS A 16 15.818 1.932 6.988 1.00 0.68 C ATOM 254 ND1 HIS A 16 16.377 1.667 8.219 1.00 0.97 N ATOM 255 CD2 HIS A 16 16.647 1.369 6.072 1.00 0.78 C ATOM 256 CE1 HIS A 16 17.502 0.968 8.017 1.00 1.02 C ATOM 257 NE2 HIS A 16 17.710 0.760 6.733 1.00 0.86 N ATOM 0 H HIS A 16 14.243 4.036 4.387 1.00 0.50 H new ATOM 0 HA HIS A 16 13.888 1.259 5.334 1.00 0.54 H new ATOM 0 HB2 HIS A 16 14.774 3.763 6.773 1.00 0.67 H new ATOM 0 HB3 HIS A 16 13.900 2.531 7.660 1.00 0.67 H new ATOM 0 HD1 HIS A 16 16.001 1.952 9.123 1.00 0.97 H new ATOM 0 HD2 HIS A 16 16.505 1.390 5.002 1.00 0.78 H new ATOM 0 HE1 HIS A 16 18.154 0.620 8.805 1.00 1.02 H new ATOM 265 N THR A 17 11.718 3.446 4.858 1.00 0.43 N ATOM 266 CA THR A 17 10.303 3.789 4.969 1.00 0.42 C ATOM 267 C THR A 17 9.773 4.344 3.655 1.00 0.38 C ATOM 268 O THR A 17 10.257 5.357 3.158 1.00 0.56 O ATOM 269 CB THR A 17 10.096 4.815 6.085 1.00 0.56 C ATOM 270 OG1 THR A 17 11.290 5.540 6.326 1.00 0.65 O ATOM 271 CG2 THR A 17 9.661 4.198 7.396 1.00 0.68 C ATOM 0 H THR A 17 12.202 3.885 4.075 1.00 0.43 H new ATOM 0 HA THR A 17 9.751 2.880 5.208 1.00 0.42 H new ATOM 0 HB THR A 17 9.300 5.469 5.730 1.00 0.56 H new ATOM 0 HG1 THR A 17 11.138 6.192 7.041 1.00 0.65 H new ATOM 0 HG21 THR A 17 9.533 4.982 8.142 1.00 0.68 H new ATOM 0 HG22 THR A 17 8.716 3.673 7.255 1.00 0.68 H new ATOM 0 HG23 THR A 17 10.420 3.494 7.736 1.00 0.68 H new ATOM 279 N VAL A 18 8.772 3.674 3.098 1.00 0.27 N ATOM 280 CA VAL A 18 8.178 4.104 1.840 1.00 0.33 C ATOM 281 C VAL A 18 6.783 4.686 2.059 1.00 0.32 C ATOM 282 O VAL A 18 5.931 4.063 2.691 1.00 0.51 O ATOM 283 CB VAL A 18 8.094 2.938 0.837 1.00 0.44 C ATOM 284 CG1 VAL A 18 7.500 3.410 -0.486 1.00 0.80 C ATOM 285 CG2 VAL A 18 9.467 2.315 0.622 1.00 0.46 C ATOM 0 H VAL A 18 8.356 2.833 3.497 1.00 0.27 H new ATOM 0 HA VAL A 18 8.825 4.879 1.429 1.00 0.33 H new ATOM 0 HB VAL A 18 7.436 2.175 1.252 1.00 0.44 H new ATOM 0 HG11 VAL A 18 7.449 2.572 -1.181 1.00 0.80 H new ATOM 0 HG12 VAL A 18 6.497 3.802 -0.315 1.00 0.80 H new ATOM 0 HG13 VAL A 18 8.129 4.194 -0.908 1.00 0.80 H new ATOM 0 HG21 VAL A 18 9.386 1.493 -0.090 1.00 0.46 H new ATOM 0 HG22 VAL A 18 10.151 3.068 0.231 1.00 0.46 H new ATOM 0 HG23 VAL A 18 9.848 1.937 1.571 1.00 0.46 H new ATOM 295 N THR A 19 6.559 5.886 1.531 1.00 0.27 N ATOM 296 CA THR A 19 5.271 6.557 1.665 1.00 0.24 C ATOM 297 C THR A 19 4.506 6.533 0.350 1.00 0.22 C ATOM 298 O THR A 19 5.067 6.838 -0.699 1.00 0.34 O ATOM 299 CB THR A 19 5.469 8.010 2.115 1.00 0.28 C ATOM 300 OG1 THR A 19 5.929 8.067 3.453 1.00 0.35 O ATOM 301 CG2 THR A 19 4.208 8.842 2.026 1.00 0.32 C ATOM 0 H THR A 19 7.255 6.414 1.005 1.00 0.27 H new ATOM 0 HA THR A 19 4.692 6.022 2.418 1.00 0.24 H new ATOM 0 HB THR A 19 6.207 8.424 1.428 1.00 0.28 H new ATOM 0 HG1 THR A 19 6.049 9.003 3.718 1.00 0.35 H new ATOM 0 HG21 THR A 19 4.418 9.858 2.359 1.00 0.32 H new ATOM 0 HG22 THR A 19 3.858 8.863 0.994 1.00 0.32 H new ATOM 0 HG23 THR A 19 3.438 8.404 2.661 1.00 0.32 H new ATOM 309 N LEU A 20 3.221 6.182 0.412 1.00 0.28 N ATOM 310 CA LEU A 20 2.393 6.137 -0.788 1.00 0.26 C ATOM 311 C LEU A 20 1.021 6.757 -0.559 1.00 0.28 C ATOM 312 O LEU A 20 0.449 6.684 0.537 1.00 0.40 O ATOM 313 CB LEU A 20 2.236 4.702 -1.321 1.00 0.33 C ATOM 314 CG LEU A 20 2.915 3.596 -0.507 1.00 0.39 C ATOM 315 CD1 LEU A 20 4.425 3.759 -0.538 1.00 0.50 C ATOM 316 CD2 LEU A 20 2.399 3.581 0.923 1.00 0.52 C ATOM 0 H LEU A 20 2.737 5.927 1.273 1.00 0.28 H new ATOM 0 HA LEU A 20 2.915 6.730 -1.539 1.00 0.26 H new ATOM 0 HB2 LEU A 20 1.172 4.475 -1.384 1.00 0.33 H new ATOM 0 HB3 LEU A 20 2.630 4.670 -2.337 1.00 0.33 H new ATOM 0 HG LEU A 20 2.668 2.637 -0.962 1.00 0.39 H new ATOM 0 HD11 LEU A 20 4.889 2.964 0.046 1.00 0.50 H new ATOM 0 HD12 LEU A 20 4.776 3.704 -1.569 1.00 0.50 H new ATOM 0 HD13 LEU A 20 4.695 4.726 -0.114 1.00 0.50 H new ATOM 0 HD21 LEU A 20 2.896 2.787 1.481 1.00 0.52 H new ATOM 0 HD22 LEU A 20 2.607 4.541 1.395 1.00 0.52 H new ATOM 0 HD23 LEU A 20 1.324 3.404 0.920 1.00 0.52 H new ATOM 328 N LYS A 21 0.508 7.368 -1.623 1.00 0.25 N ATOM 329 CA LYS A 21 -0.795 8.013 -1.600 1.00 0.31 C ATOM 330 C LYS A 21 -1.621 7.544 -2.795 1.00 0.31 C ATOM 331 O LYS A 21 -1.136 7.541 -3.926 1.00 0.51 O ATOM 332 CB LYS A 21 -0.636 9.532 -1.636 1.00 0.40 C ATOM 333 CG LYS A 21 -1.847 10.280 -1.107 1.00 0.81 C ATOM 334 CD LYS A 21 -3.102 9.926 -1.884 1.00 0.95 C ATOM 335 CE LYS A 21 -4.131 11.041 -1.812 1.00 1.26 C ATOM 336 NZ LYS A 21 -3.759 12.198 -2.672 1.00 1.84 N ATOM 0 H LYS A 21 0.985 7.428 -2.522 1.00 0.25 H new ATOM 0 HA LYS A 21 -1.309 7.740 -0.679 1.00 0.31 H new ATOM 0 HB2 LYS A 21 0.239 9.812 -1.049 1.00 0.40 H new ATOM 0 HB3 LYS A 21 -0.445 9.845 -2.662 1.00 0.40 H new ATOM 0 HG2 LYS A 21 -1.991 10.042 -0.053 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -1.669 11.354 -1.170 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.845 9.733 -2.925 1.00 0.95 H new ATOM 0 HD3 LYS A 21 -3.531 9.006 -1.486 1.00 0.95 H new ATOM 0 HE2 LYS A 21 -5.104 10.658 -2.121 1.00 1.26 H new ATOM 0 HE3 LYS A 21 -4.233 11.375 -0.779 1.00 1.26 H new ATOM 0 HZ1 LYS A 21 -4.581 12.826 -2.784 1.00 1.84 H new ATOM 0 HZ2 LYS A 21 -2.979 12.724 -2.228 1.00 1.84 H new ATOM 0 HZ3 LYS A 21 -3.457 11.854 -3.606 1.00 1.84 H new ATOM 350 N TRP A 22 -2.863 7.138 -2.549 1.00 0.25 N ATOM 351 CA TRP A 22 -3.723 6.664 -3.626 1.00 0.24 C ATOM 352 C TRP A 22 -4.965 7.536 -3.790 1.00 0.24 C ATOM 353 O TRP A 22 -5.118 8.555 -3.116 1.00 0.40 O ATOM 354 CB TRP A 22 -4.136 5.220 -3.370 1.00 0.27 C ATOM 355 CG TRP A 22 -4.578 4.966 -1.970 1.00 0.26 C ATOM 356 CD1 TRP A 22 -5.857 4.792 -1.542 1.00 0.32 C ATOM 357 CD2 TRP A 22 -3.746 4.855 -0.809 1.00 0.25 C ATOM 358 NE1 TRP A 22 -5.876 4.578 -0.188 1.00 0.33 N ATOM 359 CE2 TRP A 22 -4.593 4.611 0.286 1.00 0.28 C ATOM 360 CE3 TRP A 22 -2.368 4.936 -0.590 1.00 0.27 C ATOM 361 CZ2 TRP A 22 -4.111 4.448 1.580 1.00 0.31 C ATOM 362 CZ3 TRP A 22 -1.889 4.772 0.697 1.00 0.31 C ATOM 363 CH2 TRP A 22 -2.763 4.530 1.766 1.00 0.32 C ATOM 0 H TRP A 22 -3.292 7.128 -1.624 1.00 0.25 H new ATOM 0 HA TRP A 22 -3.150 6.723 -4.552 1.00 0.24 H new ATOM 0 HB2 TRP A 22 -4.945 4.956 -4.051 1.00 0.27 H new ATOM 0 HB3 TRP A 22 -3.297 4.564 -3.602 1.00 0.27 H new ATOM 0 HD1 TRP A 22 -6.731 4.819 -2.176 1.00 0.32 H new ATOM 0 HE1 TRP A 22 -6.712 4.420 0.375 1.00 0.33 H new ATOM 0 HE3 TRP A 22 -1.690 5.123 -1.410 1.00 0.27 H new ATOM 0 HZ2 TRP A 22 -4.780 4.263 2.407 1.00 0.31 H new ATOM 0 HZ3 TRP A 22 -0.826 4.831 0.881 1.00 0.31 H new ATOM 0 HH2 TRP A 22 -2.359 4.406 2.760 1.00 0.32 H new ATOM 374 N ALA A 23 -5.845 7.123 -4.700 1.00 0.31 N ATOM 375 CA ALA A 23 -7.074 7.857 -4.977 1.00 0.33 C ATOM 376 C ALA A 23 -8.296 7.179 -4.366 1.00 0.36 C ATOM 377 O ALA A 23 -8.199 6.114 -3.758 1.00 0.83 O ATOM 378 CB ALA A 23 -7.260 8.004 -6.479 1.00 0.36 C ATOM 0 H ALA A 23 -5.727 6.279 -5.260 1.00 0.31 H new ATOM 0 HA ALA A 23 -6.981 8.841 -4.518 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -8.180 8.553 -6.680 1.00 0.36 H new ATOM 0 HB2 ALA A 23 -6.414 8.548 -6.899 1.00 0.36 H new ATOM 0 HB3 ALA A 23 -7.320 7.017 -6.937 1.00 0.36 H new ATOM 384 N LYS A 24 -9.450 7.818 -4.543 1.00 0.59 N ATOM 385 CA LYS A 24 -10.715 7.307 -4.028 1.00 0.61 C ATOM 386 C LYS A 24 -11.412 6.448 -5.089 1.00 0.59 C ATOM 387 O LYS A 24 -11.358 6.766 -6.277 1.00 0.69 O ATOM 388 CB LYS A 24 -11.599 8.497 -3.601 1.00 0.74 C ATOM 389 CG LYS A 24 -13.103 8.243 -3.629 1.00 1.21 C ATOM 390 CD LYS A 24 -13.672 8.393 -5.031 1.00 1.22 C ATOM 391 CE LYS A 24 -14.259 9.776 -5.253 1.00 1.55 C ATOM 392 NZ LYS A 24 -15.727 9.724 -5.490 1.00 2.11 N ATOM 0 H LYS A 24 -9.533 8.702 -5.046 1.00 0.59 H new ATOM 0 HA LYS A 24 -10.534 6.673 -3.160 1.00 0.61 H new ATOM 0 HB2 LYS A 24 -11.317 8.792 -2.590 1.00 0.74 H new ATOM 0 HB3 LYS A 24 -11.379 9.342 -4.253 1.00 0.74 H new ATOM 0 HG2 LYS A 24 -13.310 7.239 -3.258 1.00 1.21 H new ATOM 0 HG3 LYS A 24 -13.603 8.941 -2.957 1.00 1.21 H new ATOM 0 HD2 LYS A 24 -12.887 8.209 -5.764 1.00 1.22 H new ATOM 0 HD3 LYS A 24 -14.443 7.640 -5.194 1.00 1.22 H new ATOM 0 HE2 LYS A 24 -14.053 10.401 -4.384 1.00 1.55 H new ATOM 0 HE3 LYS A 24 -13.770 10.245 -6.107 1.00 1.55 H new ATOM 0 HZ1 LYS A 24 -16.089 10.688 -5.637 1.00 2.11 H new ATOM 0 HZ2 LYS A 24 -15.922 9.148 -6.334 1.00 2.11 H new ATOM 0 HZ3 LYS A 24 -16.197 9.300 -4.665 1.00 2.11 H new ATOM 406 N PRO A 25 -12.067 5.346 -4.674 1.00 0.56 N ATOM 407 CA PRO A 25 -12.769 4.439 -5.596 1.00 0.63 C ATOM 408 C PRO A 25 -13.747 5.151 -6.527 1.00 0.75 C ATOM 409 O PRO A 25 -13.663 6.357 -6.738 1.00 0.89 O ATOM 410 CB PRO A 25 -13.526 3.499 -4.661 1.00 0.63 C ATOM 411 CG PRO A 25 -12.729 3.497 -3.405 1.00 0.71 C ATOM 412 CD PRO A 25 -12.163 4.884 -3.273 1.00 0.58 C ATOM 0 HA PRO A 25 -12.067 3.942 -6.266 1.00 0.63 H new ATOM 0 HB2 PRO A 25 -14.543 3.850 -4.485 1.00 0.63 H new ATOM 0 HB3 PRO A 25 -13.603 2.497 -5.083 1.00 0.63 H new ATOM 0 HG2 PRO A 25 -13.353 3.247 -2.547 1.00 0.71 H new ATOM 0 HG3 PRO A 25 -11.933 2.753 -3.449 1.00 0.71 H new ATOM 0 HD2 PRO A 25 -12.812 5.529 -2.680 1.00 0.58 H new ATOM 0 HD3 PRO A 25 -11.189 4.876 -2.784 1.00 0.58 H new ATOM 420 N GLU A 26 -14.676 4.389 -7.094 1.00 0.85 N ATOM 421 CA GLU A 26 -15.661 4.954 -8.012 1.00 1.05 C ATOM 422 C GLU A 26 -17.064 4.471 -7.681 1.00 0.95 C ATOM 423 O GLU A 26 -18.016 5.251 -7.695 1.00 1.12 O ATOM 424 CB GLU A 26 -15.325 4.586 -9.463 1.00 1.29 C ATOM 425 CG GLU A 26 -13.858 4.262 -9.701 1.00 1.83 C ATOM 426 CD GLU A 26 -13.517 4.124 -11.171 1.00 2.18 C ATOM 427 OE1 GLU A 26 -13.690 3.016 -11.719 1.00 2.53 O ATOM 428 OE2 GLU A 26 -13.076 5.125 -11.775 1.00 2.77 O ATOM 0 H GLU A 26 -14.769 3.386 -6.936 1.00 0.85 H new ATOM 0 HA GLU A 26 -15.627 6.038 -7.898 1.00 1.05 H new ATOM 0 HB2 GLU A 26 -15.928 3.726 -9.757 1.00 1.29 H new ATOM 0 HB3 GLU A 26 -15.613 5.413 -10.112 1.00 1.29 H new ATOM 0 HG2 GLU A 26 -13.242 5.047 -9.262 1.00 1.83 H new ATOM 0 HG3 GLU A 26 -13.608 3.334 -9.186 1.00 1.83 H new ATOM 435 N TYR A 27 -17.193 3.182 -7.394 1.00 0.85 N ATOM 436 CA TYR A 27 -18.492 2.614 -7.076 1.00 0.84 C ATOM 437 C TYR A 27 -18.587 2.197 -5.613 1.00 0.86 C ATOM 438 O TYR A 27 -19.303 2.822 -4.830 1.00 1.37 O ATOM 439 CB TYR A 27 -18.789 1.416 -7.980 1.00 0.86 C ATOM 440 CG TYR A 27 -20.269 1.218 -8.232 1.00 0.94 C ATOM 441 CD1 TYR A 27 -20.975 2.079 -9.066 1.00 1.15 C ATOM 442 CD2 TYR A 27 -20.958 0.165 -7.641 1.00 0.93 C ATOM 443 CE1 TYR A 27 -22.323 1.897 -9.302 1.00 1.28 C ATOM 444 CE2 TYR A 27 -22.307 -0.023 -7.874 1.00 1.04 C ATOM 445 CZ TYR A 27 -22.991 0.863 -8.687 1.00 1.19 C ATOM 446 OH TYR A 27 -24.329 0.660 -8.934 1.00 1.35 O ATOM 0 H TYR A 27 -16.420 2.517 -7.375 1.00 0.85 H new ATOM 0 HA TYR A 27 -19.236 3.391 -7.251 1.00 0.84 H new ATOM 0 HB2 TYR A 27 -18.279 1.552 -8.933 1.00 0.86 H new ATOM 0 HB3 TYR A 27 -18.380 0.514 -7.525 1.00 0.86 H new ATOM 0 HD1 TYR A 27 -20.460 2.903 -9.537 1.00 1.15 H new ATOM 0 HD2 TYR A 27 -20.431 -0.517 -6.990 1.00 0.93 H new ATOM 0 HE1 TYR A 27 -22.851 2.564 -9.967 1.00 1.28 H new ATOM 0 HE2 TYR A 27 -22.825 -0.857 -7.424 1.00 1.04 H new ATOM 0 HH TYR A 27 -24.643 -0.113 -8.420 1.00 1.35 H new ATOM 456 N THR A 28 -17.875 1.137 -5.246 1.00 0.65 N ATOM 457 CA THR A 28 -17.910 0.648 -3.874 1.00 0.61 C ATOM 458 C THR A 28 -19.345 0.370 -3.460 1.00 0.66 C ATOM 459 O THR A 28 -19.765 0.723 -2.360 1.00 0.81 O ATOM 460 CB THR A 28 -17.278 1.657 -2.918 1.00 0.64 C ATOM 461 OG1 THR A 28 -18.178 2.715 -2.640 1.00 0.91 O ATOM 462 CG2 THR A 28 -15.999 2.269 -3.447 1.00 0.79 C ATOM 0 H THR A 28 -17.272 0.605 -5.873 1.00 0.65 H new ATOM 0 HA THR A 28 -17.334 -0.276 -3.825 1.00 0.61 H new ATOM 0 HB THR A 28 -17.042 1.090 -2.017 1.00 0.64 H new ATOM 0 HG1 THR A 28 -18.352 3.221 -3.461 1.00 0.91 H new ATOM 0 HG21 THR A 28 -15.605 2.976 -2.717 1.00 0.79 H new ATOM 0 HG22 THR A 28 -15.265 1.483 -3.623 1.00 0.79 H new ATOM 0 HG23 THR A 28 -16.205 2.790 -4.382 1.00 0.79 H new ATOM 470 N GLY A 29 -20.093 -0.264 -4.359 1.00 0.75 N ATOM 471 CA GLY A 29 -21.482 -0.589 -4.089 1.00 0.80 C ATOM 472 C GLY A 29 -22.249 0.571 -3.475 1.00 0.85 C ATOM 473 O GLY A 29 -22.802 1.408 -4.189 1.00 1.01 O ATOM 0 H GLY A 29 -19.758 -0.560 -5.276 1.00 0.75 H new ATOM 0 HA2 GLY A 29 -21.968 -0.889 -5.018 1.00 0.80 H new ATOM 0 HA3 GLY A 29 -21.526 -1.445 -3.416 1.00 0.80 H new ATOM 477 N GLY A 30 -22.269 0.623 -2.149 1.00 0.83 N ATOM 478 CA GLY A 30 -22.955 1.687 -1.442 1.00 0.89 C ATOM 479 C GLY A 30 -22.298 1.921 -0.106 1.00 0.85 C ATOM 480 O GLY A 30 -22.961 2.167 0.902 1.00 0.98 O ATOM 0 H GLY A 30 -21.816 -0.062 -1.544 1.00 0.83 H new ATOM 0 HA2 GLY A 30 -22.932 2.602 -2.034 1.00 0.89 H new ATOM 0 HA3 GLY A 30 -24.003 1.425 -1.301 1.00 0.89 H new ATOM 484 N PHE A 31 -20.977 1.815 -0.114 1.00 0.73 N ATOM 485 CA PHE A 31 -20.174 1.979 1.085 1.00 0.69 C ATOM 486 C PHE A 31 -19.225 3.166 0.951 1.00 0.67 C ATOM 487 O PHE A 31 -19.216 3.857 -0.067 1.00 0.74 O ATOM 488 CB PHE A 31 -19.373 0.696 1.350 1.00 0.63 C ATOM 489 CG PHE A 31 -19.923 -0.537 0.673 1.00 0.67 C ATOM 490 CD1 PHE A 31 -21.061 -1.171 1.161 1.00 0.79 C ATOM 491 CD2 PHE A 31 -19.301 -1.060 -0.449 1.00 0.64 C ATOM 492 CE1 PHE A 31 -21.561 -2.299 0.539 1.00 0.87 C ATOM 493 CE2 PHE A 31 -19.800 -2.188 -1.073 1.00 0.73 C ATOM 494 CZ PHE A 31 -20.944 -2.807 -0.570 1.00 0.83 C ATOM 0 H PHE A 31 -20.433 1.613 -0.953 1.00 0.73 H new ATOM 0 HA PHE A 31 -20.843 2.172 1.924 1.00 0.69 H new ATOM 0 HB2 PHE A 31 -18.346 0.849 1.019 1.00 0.63 H new ATOM 0 HB3 PHE A 31 -19.338 0.520 2.425 1.00 0.63 H new ATOM 0 HD1 PHE A 31 -21.559 -0.778 2.035 1.00 0.79 H new ATOM 0 HD2 PHE A 31 -18.416 -0.581 -0.841 1.00 0.64 H new ATOM 0 HE1 PHE A 31 -22.444 -2.782 0.931 1.00 0.87 H new ATOM 0 HE2 PHE A 31 -19.306 -2.588 -1.946 1.00 0.73 H new ATOM 0 HZ PHE A 31 -21.342 -3.686 -1.056 1.00 0.83 H new ATOM 504 N LYS A 32 -18.431 3.396 1.991 1.00 0.68 N ATOM 505 CA LYS A 32 -17.479 4.503 1.997 1.00 0.72 C ATOM 506 C LYS A 32 -16.066 4.052 2.379 1.00 0.66 C ATOM 507 O LYS A 32 -15.124 4.840 2.313 1.00 0.74 O ATOM 508 CB LYS A 32 -17.946 5.580 2.975 1.00 0.86 C ATOM 509 CG LYS A 32 -17.089 6.835 2.956 1.00 1.38 C ATOM 510 CD LYS A 32 -16.511 7.139 4.331 1.00 1.38 C ATOM 511 CE LYS A 32 -15.008 7.351 4.271 1.00 1.50 C ATOM 512 NZ LYS A 32 -14.657 8.774 4.006 1.00 2.26 N ATOM 0 H LYS A 32 -18.427 2.832 2.841 1.00 0.68 H new ATOM 0 HA LYS A 32 -17.439 4.901 0.983 1.00 0.72 H new ATOM 0 HB2 LYS A 32 -18.976 5.850 2.740 1.00 0.86 H new ATOM 0 HB3 LYS A 32 -17.947 5.167 3.984 1.00 0.86 H new ATOM 0 HG2 LYS A 32 -16.278 6.712 2.239 1.00 1.38 H new ATOM 0 HG3 LYS A 32 -17.688 7.680 2.617 1.00 1.38 H new ATOM 0 HD2 LYS A 32 -16.989 8.030 4.738 1.00 1.38 H new ATOM 0 HD3 LYS A 32 -16.736 6.317 5.011 1.00 1.38 H new ATOM 0 HE2 LYS A 32 -14.559 7.036 5.213 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -14.584 6.721 3.489 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -13.623 8.876 3.973 1.00 2.26 H new ATOM 0 HZ2 LYS A 32 -15.063 9.068 3.095 1.00 2.26 H new ATOM 0 HZ3 LYS A 32 -15.040 9.373 4.765 1.00 2.26 H new ATOM 526 N ILE A 33 -15.914 2.791 2.781 1.00 0.67 N ATOM 527 CA ILE A 33 -14.607 2.275 3.172 1.00 0.66 C ATOM 528 C ILE A 33 -14.070 3.032 4.383 1.00 0.80 C ATOM 529 O ILE A 33 -14.258 4.242 4.501 1.00 1.71 O ATOM 530 CB ILE A 33 -13.592 2.376 2.019 1.00 0.59 C ATOM 531 CG1 ILE A 33 -14.138 1.676 0.769 1.00 0.79 C ATOM 532 CG2 ILE A 33 -12.258 1.774 2.437 1.00 0.58 C ATOM 533 CD1 ILE A 33 -13.110 1.483 -0.327 1.00 0.91 C ATOM 0 H ILE A 33 -16.674 2.114 2.844 1.00 0.67 H new ATOM 0 HA ILE A 33 -14.739 1.224 3.428 1.00 0.66 H new ATOM 0 HB ILE A 33 -13.433 3.428 1.780 1.00 0.59 H new ATOM 0 HG12 ILE A 33 -14.536 0.703 1.055 1.00 0.79 H new ATOM 0 HG13 ILE A 33 -14.971 2.258 0.374 1.00 0.79 H new ATOM 0 HG21 ILE A 33 -11.549 1.852 1.612 1.00 0.58 H new ATOM 0 HG22 ILE A 33 -11.870 2.314 3.301 1.00 0.58 H new ATOM 0 HG23 ILE A 33 -12.398 0.725 2.697 1.00 0.58 H new ATOM 0 HD11 ILE A 33 -13.574 0.981 -1.176 1.00 0.91 H new ATOM 0 HD12 ILE A 33 -12.728 2.454 -0.643 1.00 0.91 H new ATOM 0 HD13 ILE A 33 -12.287 0.875 0.049 1.00 0.91 H new ATOM 545 N THR A 34 -13.407 2.315 5.286 1.00 0.72 N ATOM 546 CA THR A 34 -12.856 2.928 6.489 1.00 0.73 C ATOM 547 C THR A 34 -11.467 2.379 6.809 1.00 0.59 C ATOM 548 O THR A 34 -11.153 2.100 7.966 1.00 0.76 O ATOM 549 CB THR A 34 -13.794 2.686 7.673 1.00 0.99 C ATOM 550 OG1 THR A 34 -13.566 1.407 8.237 1.00 1.09 O ATOM 551 CG2 THR A 34 -15.260 2.770 7.303 1.00 1.15 C ATOM 0 H THR A 34 -13.239 1.312 5.207 1.00 0.72 H new ATOM 0 HA THR A 34 -12.763 3.999 6.308 1.00 0.73 H new ATOM 0 HB THR A 34 -13.571 3.479 8.386 1.00 0.99 H new ATOM 0 HG1 THR A 34 -12.691 1.395 8.679 1.00 1.09 H new ATOM 0 HG21 THR A 34 -15.870 2.589 8.188 1.00 1.15 H new ATOM 0 HG22 THR A 34 -15.479 3.762 6.908 1.00 1.15 H new ATOM 0 HG23 THR A 34 -15.488 2.020 6.546 1.00 1.15 H new ATOM 559 N SER A 35 -10.638 2.229 5.779 1.00 0.49 N ATOM 560 CA SER A 35 -9.281 1.714 5.956 1.00 0.47 C ATOM 561 C SER A 35 -8.617 1.465 4.602 1.00 0.45 C ATOM 562 O SER A 35 -9.286 1.437 3.571 1.00 0.72 O ATOM 563 CB SER A 35 -9.306 0.421 6.790 1.00 0.64 C ATOM 564 OG SER A 35 -8.907 -0.711 6.030 1.00 1.58 O ATOM 0 H SER A 35 -10.881 2.456 4.815 1.00 0.49 H new ATOM 0 HA SER A 35 -8.695 2.462 6.490 1.00 0.47 H new ATOM 0 HB2 SER A 35 -8.645 0.531 7.650 1.00 0.64 H new ATOM 0 HB3 SER A 35 -10.311 0.260 7.179 1.00 0.64 H new ATOM 0 HG SER A 35 -8.935 -1.511 6.595 1.00 1.58 H new ATOM 570 N TYR A 36 -7.301 1.286 4.617 1.00 0.27 N ATOM 571 CA TYR A 36 -6.549 1.037 3.397 1.00 0.28 C ATOM 572 C TYR A 36 -5.279 0.254 3.693 1.00 0.33 C ATOM 573 O TYR A 36 -4.179 0.807 3.681 1.00 0.68 O ATOM 574 CB TYR A 36 -6.211 2.352 2.717 1.00 0.29 C ATOM 575 CG TYR A 36 -7.429 3.093 2.219 1.00 0.33 C ATOM 576 CD1 TYR A 36 -8.234 2.554 1.224 1.00 0.53 C ATOM 577 CD2 TYR A 36 -7.772 4.329 2.745 1.00 0.57 C ATOM 578 CE1 TYR A 36 -9.351 3.229 0.767 1.00 0.64 C ATOM 579 CE2 TYR A 36 -8.887 5.010 2.294 1.00 0.67 C ATOM 580 CZ TYR A 36 -9.672 4.456 1.305 1.00 0.60 C ATOM 581 OH TYR A 36 -10.783 5.131 0.854 1.00 0.76 O ATOM 0 H TYR A 36 -6.733 1.309 5.464 1.00 0.27 H new ATOM 0 HA TYR A 36 -7.167 0.439 2.727 1.00 0.28 H new ATOM 0 HB2 TYR A 36 -5.668 2.987 3.417 1.00 0.29 H new ATOM 0 HB3 TYR A 36 -5.543 2.159 1.878 1.00 0.29 H new ATOM 0 HD1 TYR A 36 -7.984 1.593 0.800 1.00 0.53 H new ATOM 0 HD2 TYR A 36 -7.159 4.766 3.519 1.00 0.57 H new ATOM 0 HE1 TYR A 36 -9.968 2.797 -0.007 1.00 0.64 H new ATOM 0 HE2 TYR A 36 -9.142 5.972 2.714 1.00 0.67 H new ATOM 0 HH TYR A 36 -10.868 5.980 1.337 1.00 0.76 H new ATOM 591 N ILE A 37 -5.438 -1.037 3.956 1.00 0.24 N ATOM 592 CA ILE A 37 -4.305 -1.898 4.255 1.00 0.26 C ATOM 593 C ILE A 37 -3.291 -1.875 3.118 1.00 0.33 C ATOM 594 O ILE A 37 -3.654 -1.989 1.949 1.00 0.70 O ATOM 595 CB ILE A 37 -4.748 -3.352 4.499 1.00 0.36 C ATOM 596 CG1 ILE A 37 -5.936 -3.399 5.462 1.00 0.41 C ATOM 597 CG2 ILE A 37 -3.589 -4.168 5.043 1.00 0.46 C ATOM 598 CD1 ILE A 37 -7.087 -4.239 4.955 1.00 1.14 C ATOM 0 H ILE A 37 -6.342 -1.509 3.968 1.00 0.24 H new ATOM 0 HA ILE A 37 -3.845 -1.511 5.164 1.00 0.26 H new ATOM 0 HB ILE A 37 -5.063 -3.783 3.549 1.00 0.36 H new ATOM 0 HG12 ILE A 37 -5.602 -3.795 6.421 1.00 0.41 H new ATOM 0 HG13 ILE A 37 -6.289 -2.383 5.642 1.00 0.41 H new ATOM 0 HG21 ILE A 37 -3.914 -5.195 5.212 1.00 0.46 H new ATOM 0 HG22 ILE A 37 -2.770 -4.160 4.324 1.00 0.46 H new ATOM 0 HG23 ILE A 37 -3.250 -3.736 5.984 1.00 0.46 H new ATOM 0 HD11 ILE A 37 -7.895 -4.229 5.687 1.00 1.14 H new ATOM 0 HD12 ILE A 37 -7.447 -3.831 4.011 1.00 1.14 H new ATOM 0 HD13 ILE A 37 -6.749 -5.264 4.802 1.00 1.14 H new ATOM 610 N VAL A 38 -2.020 -1.727 3.466 1.00 0.36 N ATOM 611 CA VAL A 38 -0.959 -1.690 2.469 1.00 0.42 C ATOM 612 C VAL A 38 -0.173 -2.992 2.450 1.00 0.35 C ATOM 613 O VAL A 38 0.647 -3.244 3.333 1.00 0.48 O ATOM 614 CB VAL A 38 0.028 -0.534 2.722 1.00 0.63 C ATOM 615 CG1 VAL A 38 0.786 -0.197 1.447 1.00 0.51 C ATOM 616 CG2 VAL A 38 -0.693 0.688 3.270 1.00 0.46 C ATOM 0 H VAL A 38 -1.699 -1.631 4.429 1.00 0.36 H new ATOM 0 HA VAL A 38 -1.452 -1.539 1.508 1.00 0.42 H new ATOM 0 HB VAL A 38 0.749 -0.856 3.473 1.00 0.63 H new ATOM 0 HG11 VAL A 38 1.479 0.621 1.641 1.00 0.51 H new ATOM 0 HG12 VAL A 38 1.343 -1.072 1.112 1.00 0.51 H new ATOM 0 HG13 VAL A 38 0.080 0.102 0.672 1.00 0.51 H new ATOM 0 HG21 VAL A 38 0.026 1.489 3.440 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -1.443 1.020 2.552 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -1.179 0.432 4.211 1.00 0.46 H new ATOM 626 N GLU A 39 -0.414 -3.813 1.437 1.00 0.30 N ATOM 627 CA GLU A 39 0.290 -5.080 1.311 1.00 0.33 C ATOM 628 C GLU A 39 1.682 -4.839 0.744 1.00 0.32 C ATOM 629 O GLU A 39 1.833 -4.156 -0.265 1.00 0.43 O ATOM 630 CB GLU A 39 -0.484 -6.043 0.412 1.00 0.42 C ATOM 631 CG GLU A 39 -1.291 -7.075 1.184 1.00 0.51 C ATOM 632 CD GLU A 39 -0.859 -8.496 0.880 1.00 0.92 C ATOM 633 OE1 GLU A 39 0.129 -8.670 0.137 1.00 1.67 O ATOM 634 OE2 GLU A 39 -1.511 -9.435 1.385 1.00 1.52 O ATOM 0 H GLU A 39 -1.088 -3.625 0.695 1.00 0.30 H new ATOM 0 HA GLU A 39 0.376 -5.531 2.300 1.00 0.33 H new ATOM 0 HB2 GLU A 39 -1.157 -5.471 -0.227 1.00 0.42 H new ATOM 0 HB3 GLU A 39 0.217 -6.558 -0.244 1.00 0.42 H new ATOM 0 HG2 GLU A 39 -1.187 -6.888 2.253 1.00 0.51 H new ATOM 0 HG3 GLU A 39 -2.348 -6.960 0.942 1.00 0.51 H new ATOM 641 N LYS A 40 2.694 -5.397 1.394 1.00 0.28 N ATOM 642 CA LYS A 40 4.070 -5.229 0.940 1.00 0.31 C ATOM 643 C LYS A 40 4.643 -6.543 0.446 1.00 0.29 C ATOM 644 O LYS A 40 4.355 -7.603 0.996 1.00 0.35 O ATOM 645 CB LYS A 40 4.955 -4.677 2.058 1.00 0.43 C ATOM 646 CG LYS A 40 4.873 -5.463 3.351 1.00 0.92 C ATOM 647 CD LYS A 40 6.259 -5.853 3.837 1.00 1.14 C ATOM 648 CE LYS A 40 6.222 -6.396 5.253 1.00 1.65 C ATOM 649 NZ LYS A 40 7.240 -5.747 6.123 1.00 1.97 N ATOM 0 H LYS A 40 2.591 -5.967 2.233 1.00 0.28 H new ATOM 0 HA LYS A 40 4.055 -4.515 0.116 1.00 0.31 H new ATOM 0 HB2 LYS A 40 5.990 -4.665 1.716 1.00 0.43 H new ATOM 0 HB3 LYS A 40 4.673 -3.643 2.254 1.00 0.43 H new ATOM 0 HG2 LYS A 40 4.371 -4.867 4.113 1.00 0.92 H new ATOM 0 HG3 LYS A 40 4.271 -6.359 3.199 1.00 0.92 H new ATOM 0 HD2 LYS A 40 6.681 -6.604 3.170 1.00 1.14 H new ATOM 0 HD3 LYS A 40 6.917 -4.985 3.797 1.00 1.14 H new ATOM 0 HE2 LYS A 40 5.230 -6.239 5.676 1.00 1.65 H new ATOM 0 HE3 LYS A 40 6.394 -7.472 5.234 1.00 1.65 H new ATOM 0 HZ1 LYS A 40 7.182 -6.146 7.082 1.00 1.97 H new ATOM 0 HZ2 LYS A 40 8.189 -5.918 5.734 1.00 1.97 H new ATOM 0 HZ3 LYS A 40 7.061 -4.723 6.162 1.00 1.97 H new ATOM 663 N ARG A 41 5.464 -6.464 -0.590 1.00 0.36 N ATOM 664 CA ARG A 41 6.085 -7.649 -1.154 1.00 0.40 C ATOM 665 C ARG A 41 7.600 -7.575 -1.019 1.00 0.41 C ATOM 666 O ARG A 41 8.266 -6.828 -1.742 1.00 0.43 O ATOM 667 CB ARG A 41 5.689 -7.811 -2.623 1.00 0.46 C ATOM 668 CG ARG A 41 6.003 -9.186 -3.191 1.00 0.58 C ATOM 669 CD ARG A 41 4.988 -9.592 -4.249 1.00 0.88 C ATOM 670 NE ARG A 41 4.049 -10.592 -3.751 1.00 0.95 N ATOM 671 CZ ARG A 41 3.314 -11.368 -4.539 1.00 1.13 C ATOM 672 NH1 ARG A 41 3.411 -11.258 -5.857 1.00 1.44 N ATOM 673 NH2 ARG A 41 2.480 -12.255 -4.012 1.00 1.44 N ATOM 0 H ARG A 41 5.715 -5.592 -1.056 1.00 0.36 H new ATOM 0 HA ARG A 41 5.732 -8.519 -0.600 1.00 0.40 H new ATOM 0 HB2 ARG A 41 4.621 -7.620 -2.726 1.00 0.46 H new ATOM 0 HB3 ARG A 41 6.206 -7.056 -3.215 1.00 0.46 H new ATOM 0 HG2 ARG A 41 7.003 -9.183 -3.625 1.00 0.58 H new ATOM 0 HG3 ARG A 41 6.007 -9.922 -2.387 1.00 0.58 H new ATOM 0 HD2 ARG A 41 4.438 -8.711 -4.580 1.00 0.88 H new ATOM 0 HD3 ARG A 41 5.511 -9.988 -5.120 1.00 0.88 H new ATOM 0 HE ARG A 41 3.952 -10.701 -2.741 1.00 0.95 H new ATOM 0 HH11 ARG A 41 4.051 -10.577 -6.266 1.00 1.44 H new ATOM 0 HH12 ARG A 41 2.846 -11.855 -6.462 1.00 1.44 H new ATOM 0 HH21 ARG A 41 2.402 -12.342 -2.999 1.00 1.44 H new ATOM 0 HH22 ARG A 41 1.917 -12.850 -4.620 1.00 1.44 H new ATOM 687 N ASP A 42 8.136 -8.353 -0.083 1.00 0.50 N ATOM 688 CA ASP A 42 9.572 -8.384 0.165 1.00 0.57 C ATOM 689 C ASP A 42 10.297 -9.150 -0.934 1.00 0.62 C ATOM 690 O ASP A 42 10.349 -10.380 -0.917 1.00 0.91 O ATOM 691 CB ASP A 42 9.859 -9.036 1.518 1.00 0.71 C ATOM 692 CG ASP A 42 8.605 -9.565 2.185 1.00 0.93 C ATOM 693 OD1 ASP A 42 7.812 -10.248 1.503 1.00 1.59 O ATOM 694 OD2 ASP A 42 8.415 -9.297 3.390 1.00 1.49 O ATOM 0 H ASP A 42 7.593 -8.973 0.518 1.00 0.50 H new ATOM 0 HA ASP A 42 9.936 -7.357 0.173 1.00 0.57 H new ATOM 0 HB2 ASP A 42 10.566 -9.854 1.381 1.00 0.71 H new ATOM 0 HB3 ASP A 42 10.336 -8.308 2.174 1.00 0.71 H new ATOM 699 N LEU A 43 10.857 -8.418 -1.886 1.00 0.63 N ATOM 700 CA LEU A 43 11.581 -9.031 -2.993 1.00 0.68 C ATOM 701 C LEU A 43 13.021 -9.354 -2.591 1.00 0.81 C ATOM 702 O LEU A 43 13.574 -8.725 -1.688 1.00 0.90 O ATOM 703 CB LEU A 43 11.566 -8.100 -4.207 1.00 0.62 C ATOM 704 CG LEU A 43 10.204 -7.475 -4.518 1.00 0.64 C ATOM 705 CD1 LEU A 43 10.343 -6.373 -5.557 1.00 0.80 C ATOM 706 CD2 LEU A 43 9.229 -8.539 -4.993 1.00 0.70 C ATOM 0 H LEU A 43 10.825 -7.399 -1.915 1.00 0.63 H new ATOM 0 HA LEU A 43 11.084 -9.965 -3.254 1.00 0.68 H new ATOM 0 HB2 LEU A 43 12.288 -7.300 -4.043 1.00 0.62 H new ATOM 0 HB3 LEU A 43 11.902 -8.659 -5.080 1.00 0.62 H new ATOM 0 HG LEU A 43 9.812 -7.031 -3.603 1.00 0.64 H new ATOM 0 HD11 LEU A 43 9.363 -5.942 -5.764 1.00 0.80 H new ATOM 0 HD12 LEU A 43 11.008 -5.597 -5.178 1.00 0.80 H new ATOM 0 HD13 LEU A 43 10.757 -6.789 -6.475 1.00 0.80 H new ATOM 0 HD21 LEU A 43 8.265 -8.078 -5.210 1.00 0.70 H new ATOM 0 HD22 LEU A 43 9.617 -9.011 -5.896 1.00 0.70 H new ATOM 0 HD23 LEU A 43 9.104 -9.292 -4.215 1.00 0.70 H new ATOM 718 N PRO A 44 13.653 -10.346 -3.250 1.00 0.92 N ATOM 719 CA PRO A 44 13.050 -11.126 -4.327 1.00 0.99 C ATOM 720 C PRO A 44 12.418 -12.426 -3.835 1.00 1.15 C ATOM 721 O PRO A 44 12.497 -13.455 -4.505 1.00 1.43 O ATOM 722 CB PRO A 44 14.258 -11.421 -5.209 1.00 1.15 C ATOM 723 CG PRO A 44 15.407 -11.544 -4.255 1.00 1.25 C ATOM 724 CD PRO A 44 15.033 -10.787 -2.997 1.00 1.08 C ATOM 0 HA PRO A 44 12.234 -10.600 -4.823 1.00 0.99 H new ATOM 0 HB2 PRO A 44 14.117 -12.339 -5.779 1.00 1.15 H new ATOM 0 HB3 PRO A 44 14.426 -10.621 -5.930 1.00 1.15 H new ATOM 0 HG2 PRO A 44 15.607 -12.591 -4.028 1.00 1.25 H new ATOM 0 HG3 PRO A 44 16.316 -11.134 -4.694 1.00 1.25 H new ATOM 0 HD2 PRO A 44 15.094 -11.423 -2.114 1.00 1.08 H new ATOM 0 HD3 PRO A 44 15.699 -9.941 -2.827 1.00 1.08 H new ATOM 732 N ASN A 45 11.793 -12.377 -2.661 1.00 1.14 N ATOM 733 CA ASN A 45 11.154 -13.559 -2.093 1.00 1.33 C ATOM 734 C ASN A 45 10.250 -13.191 -0.921 1.00 1.43 C ATOM 735 O ASN A 45 10.625 -13.348 0.241 1.00 2.42 O ATOM 736 CB ASN A 45 12.211 -14.567 -1.639 1.00 1.66 C ATOM 737 CG ASN A 45 13.254 -13.942 -0.734 1.00 1.93 C ATOM 738 OD1 ASN A 45 13.053 -13.820 0.475 1.00 2.66 O ATOM 739 ND2 ASN A 45 14.377 -13.542 -1.317 1.00 1.89 N ATOM 0 H ASN A 45 11.716 -11.537 -2.088 1.00 1.14 H new ATOM 0 HA ASN A 45 10.537 -14.010 -2.870 1.00 1.33 H new ATOM 0 HB2 ASN A 45 11.724 -15.389 -1.114 1.00 1.66 H new ATOM 0 HB3 ASN A 45 12.702 -14.994 -2.514 1.00 1.66 H new ATOM 0 HD21 ASN A 45 15.116 -13.114 -0.760 1.00 1.89 H new ATOM 0 HD22 ASN A 45 14.501 -13.663 -2.322 1.00 1.89 H new ATOM 746 N GLY A 46 9.055 -12.707 -1.239 1.00 0.90 N ATOM 747 CA GLY A 46 8.102 -12.326 -0.214 1.00 1.12 C ATOM 748 C GLY A 46 6.672 -12.437 -0.704 1.00 0.76 C ATOM 749 O GLY A 46 6.422 -12.985 -1.778 1.00 0.96 O ATOM 0 H GLY A 46 8.728 -12.571 -2.195 1.00 0.90 H new ATOM 0 HA2 GLY A 46 8.236 -12.962 0.661 1.00 1.12 H new ATOM 0 HA3 GLY A 46 8.299 -11.302 0.103 1.00 1.12 H new ATOM 753 N ARG A 47 5.731 -11.916 0.074 1.00 0.80 N ATOM 754 CA ARG A 47 4.325 -11.967 -0.308 1.00 0.76 C ATOM 755 C ARG A 47 3.588 -10.706 0.126 1.00 0.85 C ATOM 756 O ARG A 47 4.034 -9.983 1.015 1.00 1.71 O ATOM 757 CB ARG A 47 3.631 -13.200 0.282 1.00 0.99 C ATOM 758 CG ARG A 47 4.299 -13.766 1.526 1.00 1.31 C ATOM 759 CD ARG A 47 4.439 -12.719 2.619 1.00 1.11 C ATOM 760 NE ARG A 47 5.622 -12.945 3.447 1.00 1.41 N ATOM 761 CZ ARG A 47 5.662 -13.810 4.455 1.00 1.71 C ATOM 762 NH1 ARG A 47 4.590 -14.528 4.758 1.00 2.41 N ATOM 763 NH2 ARG A 47 6.777 -13.957 5.159 1.00 2.03 N ATOM 0 H ARG A 47 5.913 -11.457 0.966 1.00 0.80 H new ATOM 0 HA ARG A 47 4.292 -12.035 -1.395 1.00 0.76 H new ATOM 0 HB2 ARG A 47 2.601 -12.940 0.525 1.00 0.99 H new ATOM 0 HB3 ARG A 47 3.592 -13.978 -0.480 1.00 0.99 H new ATOM 0 HG2 ARG A 47 3.715 -14.607 1.901 1.00 1.31 H new ATOM 0 HG3 ARG A 47 5.284 -14.153 1.265 1.00 1.31 H new ATOM 0 HD2 ARG A 47 4.497 -11.729 2.167 1.00 1.11 H new ATOM 0 HD3 ARG A 47 3.549 -12.731 3.248 1.00 1.11 H new ATOM 0 HE ARG A 47 6.464 -12.409 3.239 1.00 1.41 H new ATOM 0 HH11 ARG A 47 3.732 -14.417 4.217 1.00 2.41 H new ATOM 0 HH12 ARG A 47 4.623 -15.191 5.532 1.00 2.41 H new ATOM 0 HH21 ARG A 47 7.603 -13.406 4.926 1.00 2.03 H new ATOM 0 HH22 ARG A 47 6.808 -14.621 5.933 1.00 2.03 H new ATOM 777 N TRP A 48 2.453 -10.455 -0.511 1.00 0.50 N ATOM 778 CA TRP A 48 1.643 -9.294 -0.207 1.00 0.43 C ATOM 779 C TRP A 48 1.098 -9.365 1.213 1.00 0.45 C ATOM 780 O TRP A 48 -0.018 -9.835 1.436 1.00 0.65 O ATOM 781 CB TRP A 48 0.489 -9.181 -1.198 1.00 0.47 C ATOM 782 CG TRP A 48 0.940 -9.019 -2.616 1.00 0.45 C ATOM 783 CD1 TRP A 48 0.695 -9.868 -3.656 1.00 0.52 C ATOM 784 CD2 TRP A 48 1.717 -7.942 -3.151 1.00 0.39 C ATOM 785 NE1 TRP A 48 1.270 -9.384 -4.804 1.00 0.50 N ATOM 786 CE2 TRP A 48 1.902 -8.203 -4.521 1.00 0.42 C ATOM 787 CE3 TRP A 48 2.271 -6.783 -2.605 1.00 0.36 C ATOM 788 CZ2 TRP A 48 2.618 -7.345 -5.352 1.00 0.41 C ATOM 789 CZ3 TRP A 48 2.983 -5.933 -3.430 1.00 0.36 C ATOM 790 CH2 TRP A 48 3.150 -6.217 -4.791 1.00 0.38 C ATOM 0 H TRP A 48 2.073 -11.049 -1.248 1.00 0.50 H new ATOM 0 HA TRP A 48 2.276 -8.411 -0.290 1.00 0.43 H new ATOM 0 HB2 TRP A 48 -0.135 -10.072 -1.122 1.00 0.47 H new ATOM 0 HB3 TRP A 48 -0.135 -8.331 -0.923 1.00 0.47 H new ATOM 0 HD1 TRP A 48 0.131 -10.786 -3.586 1.00 0.52 H new ATOM 0 HE1 TRP A 48 1.233 -9.832 -5.720 1.00 0.50 H new ATOM 0 HE3 TRP A 48 2.146 -6.555 -1.557 1.00 0.36 H new ATOM 0 HZ2 TRP A 48 2.748 -7.563 -6.402 1.00 0.41 H new ATOM 0 HZ3 TRP A 48 3.418 -5.034 -3.018 1.00 0.36 H new ATOM 0 HH2 TRP A 48 3.710 -5.532 -5.410 1.00 0.38 H new ATOM 801 N LEU A 49 1.889 -8.901 2.171 1.00 0.38 N ATOM 802 CA LEU A 49 1.482 -8.918 3.570 1.00 0.42 C ATOM 803 C LEU A 49 1.372 -7.504 4.126 1.00 0.36 C ATOM 804 O LEU A 49 2.299 -6.702 4.002 1.00 0.39 O ATOM 805 CB LEU A 49 2.474 -9.735 4.395 1.00 0.52 C ATOM 806 CG LEU A 49 1.903 -11.023 4.987 1.00 0.67 C ATOM 807 CD1 LEU A 49 0.841 -10.705 6.029 1.00 1.28 C ATOM 808 CD2 LEU A 49 1.328 -11.902 3.887 1.00 0.84 C ATOM 0 H LEU A 49 2.816 -8.508 2.005 1.00 0.38 H new ATOM 0 HA LEU A 49 0.498 -9.383 3.633 1.00 0.42 H new ATOM 0 HB2 LEU A 49 3.328 -9.987 3.766 1.00 0.52 H new ATOM 0 HB3 LEU A 49 2.849 -9.113 5.207 1.00 0.52 H new ATOM 0 HG LEU A 49 2.710 -11.568 5.476 1.00 0.67 H new ATOM 0 HD11 LEU A 49 0.445 -11.634 6.440 1.00 1.28 H new ATOM 0 HD12 LEU A 49 1.283 -10.113 6.830 1.00 1.28 H new ATOM 0 HD13 LEU A 49 0.033 -10.140 5.564 1.00 1.28 H new ATOM 0 HD21 LEU A 49 0.925 -12.816 4.324 1.00 0.84 H new ATOM 0 HD22 LEU A 49 0.532 -11.365 3.371 1.00 0.84 H new ATOM 0 HD23 LEU A 49 2.114 -12.156 3.176 1.00 0.84 H new ATOM 820 N LYS A 50 0.232 -7.203 4.739 1.00 0.40 N ATOM 821 CA LYS A 50 -0.004 -5.886 5.313 1.00 0.40 C ATOM 822 C LYS A 50 1.070 -5.528 6.333 1.00 0.47 C ATOM 823 O LYS A 50 1.216 -6.195 7.358 1.00 0.85 O ATOM 824 CB LYS A 50 -1.381 -5.828 5.974 1.00 0.59 C ATOM 825 CG LYS A 50 -1.501 -6.704 7.209 1.00 0.72 C ATOM 826 CD LYS A 50 -2.815 -7.465 7.219 1.00 1.03 C ATOM 827 CE LYS A 50 -3.930 -6.634 7.826 1.00 0.86 C ATOM 828 NZ LYS A 50 -4.513 -7.279 9.034 1.00 1.30 N ATOM 0 H LYS A 50 -0.544 -7.856 4.850 1.00 0.40 H new ATOM 0 HA LYS A 50 0.035 -5.161 4.500 1.00 0.40 H new ATOM 0 HB2 LYS A 50 -1.600 -4.796 6.248 1.00 0.59 H new ATOM 0 HB3 LYS A 50 -2.136 -6.132 5.249 1.00 0.59 H new ATOM 0 HG2 LYS A 50 -0.670 -7.409 7.240 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -1.429 -6.086 8.104 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -3.082 -7.747 6.200 1.00 1.03 H new ATOM 0 HD3 LYS A 50 -2.698 -8.389 7.785 1.00 1.03 H new ATOM 0 HE2 LYS A 50 -3.545 -5.649 8.091 1.00 0.86 H new ATOM 0 HE3 LYS A 50 -4.713 -6.481 7.083 1.00 0.86 H new ATOM 0 HZ1 LYS A 50 -5.271 -6.678 9.417 1.00 1.30 H new ATOM 0 HZ2 LYS A 50 -4.904 -8.208 8.777 1.00 1.30 H new ATOM 0 HZ3 LYS A 50 -3.772 -7.402 9.753 1.00 1.30 H new ATOM 842 N ALA A 51 1.816 -4.467 6.047 1.00 0.45 N ATOM 843 CA ALA A 51 2.871 -4.017 6.942 1.00 0.63 C ATOM 844 C ALA A 51 2.368 -2.908 7.857 1.00 0.55 C ATOM 845 O ALA A 51 2.788 -2.799 9.008 1.00 0.72 O ATOM 846 CB ALA A 51 4.076 -3.538 6.143 1.00 0.86 C ATOM 0 H ALA A 51 1.709 -3.904 5.203 1.00 0.45 H new ATOM 0 HA ALA A 51 3.175 -4.860 7.562 1.00 0.63 H new ATOM 0 HB1 ALA A 51 4.857 -3.205 6.827 1.00 0.86 H new ATOM 0 HB2 ALA A 51 4.455 -4.356 5.531 1.00 0.86 H new ATOM 0 HB3 ALA A 51 3.780 -2.710 5.499 1.00 0.86 H new ATOM 852 N ASN A 52 1.465 -2.083 7.333 1.00 0.42 N ATOM 853 CA ASN A 52 0.904 -0.975 8.102 1.00 0.43 C ATOM 854 C ASN A 52 0.455 -1.426 9.490 1.00 0.59 C ATOM 855 O ASN A 52 0.934 -0.914 10.502 1.00 1.60 O ATOM 856 CB ASN A 52 -0.271 -0.342 7.351 1.00 0.38 C ATOM 857 CG ASN A 52 -1.211 -1.372 6.760 1.00 0.96 C ATOM 858 OD1 ASN A 52 -0.858 -2.089 5.823 1.00 2.01 O ATOM 859 ND2 ASN A 52 -2.420 -1.450 7.305 1.00 0.62 N ATOM 0 H ASN A 52 1.107 -2.160 6.381 1.00 0.42 H new ATOM 0 HA ASN A 52 1.691 -0.231 8.227 1.00 0.43 H new ATOM 0 HB2 ASN A 52 -0.827 0.303 8.032 1.00 0.38 H new ATOM 0 HB3 ASN A 52 0.113 0.293 6.553 1.00 0.38 H new ATOM 0 HD21 ASN A 52 -3.098 -2.124 6.948 1.00 0.62 H new ATOM 0 HD22 ASN A 52 -2.671 -0.836 8.080 1.00 0.62 H new ATOM 866 N PHE A 53 -0.467 -2.385 9.535 1.00 0.81 N ATOM 867 CA PHE A 53 -0.980 -2.901 10.802 1.00 0.82 C ATOM 868 C PHE A 53 -1.308 -1.764 11.769 1.00 0.84 C ATOM 869 O PHE A 53 -1.083 -1.877 12.975 1.00 1.20 O ATOM 870 CB PHE A 53 0.039 -3.850 11.438 1.00 0.96 C ATOM 871 CG PHE A 53 -0.517 -4.670 12.570 1.00 1.15 C ATOM 872 CD1 PHE A 53 -1.856 -5.025 12.588 1.00 1.32 C ATOM 873 CD2 PHE A 53 0.296 -5.086 13.616 1.00 1.68 C ATOM 874 CE1 PHE A 53 -2.373 -5.778 13.624 1.00 1.66 C ATOM 875 CE2 PHE A 53 -0.215 -5.837 14.651 1.00 2.08 C ATOM 876 CZ PHE A 53 -1.536 -6.184 14.667 1.00 1.96 C ATOM 0 H PHE A 53 -0.875 -2.821 8.708 1.00 0.81 H new ATOM 0 HA PHE A 53 -1.900 -3.448 10.594 1.00 0.82 H new ATOM 0 HB2 PHE A 53 0.424 -4.522 10.671 1.00 0.96 H new ATOM 0 HB3 PHE A 53 0.884 -3.267 11.805 1.00 0.96 H new ATOM 0 HD1 PHE A 53 -2.503 -4.709 11.783 1.00 1.32 H new ATOM 0 HD2 PHE A 53 1.342 -4.817 13.618 1.00 1.68 H new ATOM 0 HE1 PHE A 53 -3.418 -6.051 13.628 1.00 1.66 H new ATOM 0 HE2 PHE A 53 0.433 -6.154 15.455 1.00 2.08 H new ATOM 0 HZ PHE A 53 -1.932 -6.770 15.483 1.00 1.96 H new ATOM 886 N SER A 54 -1.838 -0.669 11.232 1.00 0.79 N ATOM 887 CA SER A 54 -2.194 0.488 12.048 1.00 0.89 C ATOM 888 C SER A 54 -3.443 1.188 11.510 1.00 0.95 C ATOM 889 O SER A 54 -3.683 2.355 11.815 1.00 1.89 O ATOM 890 CB SER A 54 -1.026 1.476 12.099 1.00 1.00 C ATOM 891 OG SER A 54 -0.272 1.439 10.899 1.00 1.71 O ATOM 0 H SER A 54 -2.030 -0.558 10.236 1.00 0.79 H new ATOM 0 HA SER A 54 -2.412 0.132 13.055 1.00 0.89 H new ATOM 0 HB2 SER A 54 -1.406 2.485 12.262 1.00 1.00 H new ATOM 0 HB3 SER A 54 -0.381 1.238 12.945 1.00 1.00 H new ATOM 0 HG SER A 54 0.365 0.696 10.936 1.00 1.71 H new ATOM 897 N ASN A 55 -4.232 0.469 10.715 1.00 0.75 N ATOM 898 CA ASN A 55 -5.456 1.023 10.138 1.00 0.69 C ATOM 899 C ASN A 55 -5.162 2.271 9.310 1.00 0.66 C ATOM 900 O ASN A 55 -4.694 3.282 9.832 1.00 1.05 O ATOM 901 CB ASN A 55 -6.461 1.356 11.244 1.00 0.84 C ATOM 902 CG ASN A 55 -7.895 1.113 10.812 1.00 1.11 C ATOM 903 OD1 ASN A 55 -8.646 0.402 11.481 1.00 1.87 O ATOM 904 ND2 ASN A 55 -8.283 1.705 9.688 1.00 0.83 N ATOM 0 H ASN A 55 -4.046 -0.500 10.455 1.00 0.75 H new ATOM 0 HA ASN A 55 -5.885 0.269 9.478 1.00 0.69 H new ATOM 0 HB2 ASN A 55 -6.242 0.752 12.125 1.00 0.84 H new ATOM 0 HB3 ASN A 55 -6.344 2.400 11.536 1.00 0.84 H new ATOM 0 HD21 ASN A 55 -9.236 1.579 9.348 1.00 0.83 H new ATOM 0 HD22 ASN A 55 -7.628 2.286 9.165 1.00 0.83 H new ATOM 911 N ILE A 56 -5.441 2.193 8.014 1.00 0.40 N ATOM 912 CA ILE A 56 -5.206 3.317 7.116 1.00 0.33 C ATOM 913 C ILE A 56 -6.513 4.001 6.730 1.00 0.31 C ATOM 914 O ILE A 56 -7.094 3.701 5.686 1.00 0.53 O ATOM 915 CB ILE A 56 -4.481 2.874 5.833 1.00 0.32 C ATOM 916 CG1 ILE A 56 -3.343 1.915 6.167 1.00 0.43 C ATOM 917 CG2 ILE A 56 -3.947 4.083 5.083 1.00 0.28 C ATOM 918 CD1 ILE A 56 -2.270 2.541 7.020 1.00 0.69 C ATOM 0 H ILE A 56 -5.829 1.365 7.562 1.00 0.40 H new ATOM 0 HA ILE A 56 -4.575 4.021 7.659 1.00 0.33 H new ATOM 0 HB ILE A 56 -5.196 2.355 5.195 1.00 0.32 H new ATOM 0 HG12 ILE A 56 -3.749 1.046 6.685 1.00 0.43 H new ATOM 0 HG13 ILE A 56 -2.897 1.554 5.240 1.00 0.43 H new ATOM 0 HG21 ILE A 56 -3.437 3.753 4.178 1.00 0.28 H new ATOM 0 HG22 ILE A 56 -4.775 4.739 4.814 1.00 0.28 H new ATOM 0 HG23 ILE A 56 -3.246 4.625 5.718 1.00 0.28 H new ATOM 0 HD11 ILE A 56 -1.490 1.806 7.221 1.00 0.69 H new ATOM 0 HD12 ILE A 56 -1.839 3.393 6.495 1.00 0.69 H new ATOM 0 HD13 ILE A 56 -2.704 2.877 7.962 1.00 0.69 H new ATOM 930 N LEU A 57 -6.969 4.923 7.571 1.00 0.44 N ATOM 931 CA LEU A 57 -8.207 5.647 7.303 1.00 0.45 C ATOM 932 C LEU A 57 -8.109 6.399 5.978 1.00 0.42 C ATOM 933 O LEU A 57 -8.656 5.962 4.967 1.00 0.60 O ATOM 934 CB LEU A 57 -8.518 6.621 8.443 1.00 0.48 C ATOM 935 CG LEU A 57 -9.767 7.482 8.232 1.00 0.85 C ATOM 936 CD1 LEU A 57 -10.997 6.601 8.082 1.00 0.72 C ATOM 937 CD2 LEU A 57 -9.948 8.464 9.382 1.00 1.60 C ATOM 0 H LEU A 57 -6.503 5.186 8.440 1.00 0.44 H new ATOM 0 HA LEU A 57 -9.019 4.923 7.234 1.00 0.45 H new ATOM 0 HB2 LEU A 57 -8.638 6.052 9.365 1.00 0.48 H new ATOM 0 HB3 LEU A 57 -7.660 7.279 8.584 1.00 0.48 H new ATOM 0 HG LEU A 57 -9.637 8.056 7.315 1.00 0.85 H new ATOM 0 HD11 LEU A 57 -11.877 7.227 7.933 1.00 0.72 H new ATOM 0 HD12 LEU A 57 -10.870 5.942 7.223 1.00 0.72 H new ATOM 0 HD13 LEU A 57 -11.127 6.001 8.983 1.00 0.72 H new ATOM 0 HD21 LEU A 57 -10.841 9.065 9.210 1.00 1.60 H new ATOM 0 HD22 LEU A 57 -10.055 7.914 10.317 1.00 1.60 H new ATOM 0 HD23 LEU A 57 -9.078 9.117 9.443 1.00 1.60 H new ATOM 949 N GLU A 58 -7.405 7.528 5.989 1.00 0.39 N ATOM 950 CA GLU A 58 -7.233 8.329 4.787 1.00 0.43 C ATOM 951 C GLU A 58 -6.382 7.579 3.767 1.00 0.51 C ATOM 952 O GLU A 58 -5.902 6.478 4.038 1.00 1.09 O ATOM 953 CB GLU A 58 -6.592 9.676 5.130 1.00 0.44 C ATOM 954 CG GLU A 58 -5.183 9.560 5.689 1.00 0.44 C ATOM 955 CD GLU A 58 -4.835 10.693 6.636 1.00 0.75 C ATOM 956 OE1 GLU A 58 -5.765 11.396 7.087 1.00 1.29 O ATOM 957 OE2 GLU A 58 -3.635 10.879 6.926 1.00 1.54 O ATOM 0 H GLU A 58 -6.946 7.906 6.818 1.00 0.39 H new ATOM 0 HA GLU A 58 -8.214 8.515 4.351 1.00 0.43 H new ATOM 0 HB2 GLU A 58 -6.567 10.295 4.233 1.00 0.44 H new ATOM 0 HB3 GLU A 58 -7.220 10.192 5.856 1.00 0.44 H new ATOM 0 HG2 GLU A 58 -5.081 8.610 6.213 1.00 0.44 H new ATOM 0 HG3 GLU A 58 -4.469 9.548 4.865 1.00 0.44 H new ATOM 964 N ASN A 59 -6.203 8.173 2.592 1.00 0.31 N ATOM 965 CA ASN A 59 -5.413 7.542 1.538 1.00 0.28 C ATOM 966 C ASN A 59 -3.970 8.037 1.540 1.00 0.28 C ATOM 967 O ASN A 59 -3.332 8.128 0.492 1.00 0.49 O ATOM 968 CB ASN A 59 -6.037 7.785 0.162 1.00 0.32 C ATOM 969 CG ASN A 59 -7.553 7.864 0.205 1.00 0.86 C ATOM 970 OD1 ASN A 59 -8.192 7.277 1.078 1.00 1.75 O ATOM 971 ND2 ASN A 59 -8.137 8.592 -0.740 1.00 0.91 N ATOM 0 H ASN A 59 -6.591 9.084 2.345 1.00 0.31 H new ATOM 0 HA ASN A 59 -5.410 6.472 1.744 1.00 0.28 H new ATOM 0 HB2 ASN A 59 -5.642 8.713 -0.252 1.00 0.32 H new ATOM 0 HB3 ASN A 59 -5.739 6.983 -0.513 1.00 0.32 H new ATOM 0 HD21 ASN A 59 -9.153 8.681 -0.761 1.00 0.91 H new ATOM 0 HD22 ASN A 59 -7.570 9.062 -1.445 1.00 0.91 H new ATOM 978 N GLU A 60 -3.457 8.346 2.720 1.00 0.29 N ATOM 979 CA GLU A 60 -2.087 8.820 2.857 1.00 0.29 C ATOM 980 C GLU A 60 -1.386 8.049 3.961 1.00 0.27 C ATOM 981 O GLU A 60 -1.544 8.360 5.142 1.00 0.35 O ATOM 982 CB GLU A 60 -2.068 10.320 3.166 1.00 0.34 C ATOM 983 CG GLU A 60 -0.693 10.854 3.536 1.00 0.49 C ATOM 984 CD GLU A 60 -0.623 12.368 3.483 1.00 1.26 C ATOM 985 OE1 GLU A 60 -1.488 13.025 4.100 1.00 2.05 O ATOM 986 OE2 GLU A 60 0.296 12.898 2.824 1.00 1.91 O ATOM 0 H GLU A 60 -3.969 8.277 3.599 1.00 0.29 H new ATOM 0 HA GLU A 60 -1.561 8.656 1.916 1.00 0.29 H new ATOM 0 HB2 GLU A 60 -2.437 10.865 2.297 1.00 0.34 H new ATOM 0 HB3 GLU A 60 -2.758 10.521 3.985 1.00 0.34 H new ATOM 0 HG2 GLU A 60 -0.434 10.517 4.540 1.00 0.49 H new ATOM 0 HG3 GLU A 60 0.050 10.435 2.857 1.00 0.49 H new ATOM 993 N PHE A 61 -0.620 7.031 3.582 1.00 0.24 N ATOM 994 CA PHE A 61 0.081 6.224 4.571 1.00 0.24 C ATOM 995 C PHE A 61 1.539 5.995 4.189 1.00 0.24 C ATOM 996 O PHE A 61 1.933 6.173 3.036 1.00 0.25 O ATOM 997 CB PHE A 61 -0.615 4.867 4.756 1.00 0.28 C ATOM 998 CG PHE A 61 0.153 3.944 5.656 1.00 0.33 C ATOM 999 CD1 PHE A 61 0.151 4.129 7.028 1.00 0.41 C ATOM 1000 CD2 PHE A 61 0.895 2.905 5.123 1.00 0.37 C ATOM 1001 CE1 PHE A 61 0.875 3.292 7.854 1.00 0.48 C ATOM 1002 CE2 PHE A 61 1.619 2.066 5.942 1.00 0.44 C ATOM 1003 CZ PHE A 61 1.608 2.256 7.310 1.00 0.48 C ATOM 0 H PHE A 61 -0.471 6.749 2.613 1.00 0.24 H new ATOM 0 HA PHE A 61 0.056 6.779 5.509 1.00 0.24 H new ATOM 0 HB2 PHE A 61 -1.611 5.027 5.169 1.00 0.28 H new ATOM 0 HB3 PHE A 61 -0.746 4.394 3.783 1.00 0.28 H new ATOM 0 HD1 PHE A 61 -0.423 4.937 7.457 1.00 0.41 H new ATOM 0 HD2 PHE A 61 0.907 2.750 4.054 1.00 0.37 H new ATOM 0 HE1 PHE A 61 0.868 3.447 8.923 1.00 0.48 H new ATOM 0 HE2 PHE A 61 2.195 1.259 5.514 1.00 0.44 H new ATOM 0 HZ PHE A 61 2.171 1.596 7.953 1.00 0.48 H new ATOM 1013 N THR A 62 2.325 5.581 5.179 1.00 0.25 N ATOM 1014 CA THR A 62 3.732 5.299 4.983 1.00 0.27 C ATOM 1015 C THR A 62 4.096 3.937 5.557 1.00 0.29 C ATOM 1016 O THR A 62 4.063 3.732 6.770 1.00 0.35 O ATOM 1017 CB THR A 62 4.594 6.387 5.623 1.00 0.33 C ATOM 1018 OG1 THR A 62 4.230 7.668 5.138 1.00 0.42 O ATOM 1019 CG2 THR A 62 6.075 6.203 5.373 1.00 0.37 C ATOM 0 H THR A 62 2.000 5.434 6.134 1.00 0.25 H new ATOM 0 HA THR A 62 3.926 5.285 3.910 1.00 0.27 H new ATOM 0 HB THR A 62 4.411 6.305 6.694 1.00 0.33 H new ATOM 0 HG1 THR A 62 4.926 7.998 4.532 1.00 0.42 H new ATOM 0 HG21 THR A 62 6.628 7.009 5.855 1.00 0.37 H new ATOM 0 HG22 THR A 62 6.397 5.246 5.784 1.00 0.37 H new ATOM 0 HG23 THR A 62 6.268 6.221 4.300 1.00 0.37 H new ATOM 1027 N VAL A 63 4.443 3.006 4.674 1.00 0.31 N ATOM 1028 CA VAL A 63 4.814 1.662 5.089 1.00 0.36 C ATOM 1029 C VAL A 63 6.178 1.655 5.762 1.00 0.38 C ATOM 1030 O VAL A 63 7.185 2.018 5.154 1.00 0.50 O ATOM 1031 CB VAL A 63 4.838 0.682 3.901 1.00 0.44 C ATOM 1032 CG1 VAL A 63 4.868 -0.753 4.400 1.00 1.08 C ATOM 1033 CG2 VAL A 63 3.643 0.915 2.992 1.00 0.58 C ATOM 0 H VAL A 63 4.474 3.160 3.666 1.00 0.31 H new ATOM 0 HA VAL A 63 4.054 1.335 5.799 1.00 0.36 H new ATOM 0 HB VAL A 63 5.743 0.861 3.321 1.00 0.44 H new ATOM 0 HG11 VAL A 63 4.885 -1.434 3.549 1.00 1.08 H new ATOM 0 HG12 VAL A 63 5.760 -0.909 5.007 1.00 1.08 H new ATOM 0 HG13 VAL A 63 3.981 -0.947 5.003 1.00 1.08 H new ATOM 0 HG21 VAL A 63 3.677 0.213 2.159 1.00 0.58 H new ATOM 0 HG22 VAL A 63 2.722 0.764 3.556 1.00 0.58 H new ATOM 0 HG23 VAL A 63 3.671 1.935 2.609 1.00 0.58 H new ATOM 1043 N SER A 64 6.201 1.240 7.021 1.00 0.49 N ATOM 1044 CA SER A 64 7.442 1.184 7.781 1.00 0.55 C ATOM 1045 C SER A 64 7.774 -0.247 8.178 1.00 0.63 C ATOM 1046 O SER A 64 6.887 -1.036 8.503 1.00 0.99 O ATOM 1047 CB SER A 64 7.341 2.062 9.027 1.00 0.63 C ATOM 1048 OG SER A 64 5.994 2.204 9.447 1.00 1.33 O ATOM 0 H SER A 64 5.375 0.937 7.537 1.00 0.49 H new ATOM 0 HA SER A 64 8.244 1.559 7.145 1.00 0.55 H new ATOM 0 HB2 SER A 64 7.931 1.625 9.832 1.00 0.63 H new ATOM 0 HB3 SER A 64 7.765 3.044 8.818 1.00 0.63 H new ATOM 0 HG SER A 64 5.959 2.769 10.247 1.00 1.33 H new ATOM 1054 N GLY A 65 9.060 -0.574 8.146 1.00 0.71 N ATOM 1055 CA GLY A 65 9.495 -1.910 8.503 1.00 0.78 C ATOM 1056 C GLY A 65 10.347 -2.559 7.426 1.00 0.72 C ATOM 1057 O GLY A 65 10.707 -3.731 7.541 1.00 0.90 O ATOM 0 H GLY A 65 9.810 0.063 7.879 1.00 0.71 H new ATOM 0 HA2 GLY A 65 10.063 -1.866 9.432 1.00 0.78 H new ATOM 0 HA3 GLY A 65 8.621 -2.533 8.693 1.00 0.78 H new ATOM 1061 N LEU A 66 10.674 -1.806 6.375 1.00 0.64 N ATOM 1062 CA LEU A 66 11.486 -2.335 5.289 1.00 0.65 C ATOM 1063 C LEU A 66 12.934 -2.516 5.730 1.00 0.59 C ATOM 1064 O LEU A 66 13.258 -2.358 6.907 1.00 0.65 O ATOM 1065 CB LEU A 66 11.416 -1.404 4.071 1.00 0.74 C ATOM 1066 CG LEU A 66 10.011 -0.931 3.643 1.00 0.89 C ATOM 1067 CD1 LEU A 66 8.902 -1.794 4.239 1.00 1.47 C ATOM 1068 CD2 LEU A 66 9.807 0.530 4.015 1.00 0.89 C ATOM 0 H LEU A 66 10.389 -0.834 6.257 1.00 0.64 H new ATOM 0 HA LEU A 66 11.089 -3.311 5.012 1.00 0.65 H new ATOM 0 HB2 LEU A 66 12.023 -0.523 4.280 1.00 0.74 H new ATOM 0 HB3 LEU A 66 11.876 -1.915 3.225 1.00 0.74 H new ATOM 0 HG LEU A 66 9.952 -1.036 2.560 1.00 0.89 H new ATOM 0 HD11 LEU A 66 7.933 -1.421 3.908 1.00 1.47 H new ATOM 0 HD12 LEU A 66 9.026 -2.825 3.908 1.00 1.47 H new ATOM 0 HD13 LEU A 66 8.954 -1.753 5.327 1.00 1.47 H new ATOM 0 HD21 LEU A 66 8.811 0.848 3.706 1.00 0.89 H new ATOM 0 HD22 LEU A 66 9.908 0.648 5.094 1.00 0.89 H new ATOM 0 HD23 LEU A 66 10.556 1.142 3.512 1.00 0.89 H new ATOM 1080 N THR A 67 13.802 -2.848 4.779 1.00 0.65 N ATOM 1081 CA THR A 67 15.215 -3.051 5.077 1.00 0.69 C ATOM 1082 C THR A 67 16.094 -2.514 3.952 1.00 0.72 C ATOM 1083 O THR A 67 15.714 -2.543 2.781 1.00 1.06 O ATOM 1084 CB THR A 67 15.503 -4.536 5.307 1.00 0.75 C ATOM 1085 OG1 THR A 67 14.563 -5.092 6.210 1.00 0.96 O ATOM 1086 CG2 THR A 67 16.886 -4.799 5.864 1.00 0.99 C ATOM 0 H THR A 67 13.553 -2.982 3.799 1.00 0.65 H new ATOM 0 HA THR A 67 15.450 -2.500 5.987 1.00 0.69 H new ATOM 0 HB THR A 67 15.432 -5.001 4.324 1.00 0.75 H new ATOM 0 HG1 THR A 67 14.761 -6.042 6.344 1.00 0.96 H new ATOM 0 HG21 THR A 67 17.024 -5.871 6.003 1.00 0.99 H new ATOM 0 HG22 THR A 67 17.636 -4.424 5.168 1.00 0.99 H new ATOM 0 HG23 THR A 67 16.995 -4.292 6.823 1.00 0.99 H new ATOM 1094 N GLU A 68 17.269 -2.020 4.322 1.00 0.66 N ATOM 1095 CA GLU A 68 18.213 -1.467 3.359 1.00 0.67 C ATOM 1096 C GLU A 68 18.703 -2.533 2.382 1.00 0.60 C ATOM 1097 O GLU A 68 18.988 -3.666 2.772 1.00 0.69 O ATOM 1098 CB GLU A 68 19.399 -0.844 4.095 1.00 0.76 C ATOM 1099 CG GLU A 68 19.836 0.493 3.523 1.00 0.96 C ATOM 1100 CD GLU A 68 20.998 1.100 4.285 1.00 1.32 C ATOM 1101 OE1 GLU A 68 21.124 0.826 5.497 1.00 1.89 O ATOM 1102 OE2 GLU A 68 21.783 1.851 3.669 1.00 1.91 O ATOM 0 H GLU A 68 17.592 -1.991 5.289 1.00 0.66 H new ATOM 0 HA GLU A 68 17.698 -0.698 2.783 1.00 0.67 H new ATOM 0 HB2 GLU A 68 19.136 -0.712 5.144 1.00 0.76 H new ATOM 0 HB3 GLU A 68 20.240 -1.536 4.062 1.00 0.76 H new ATOM 0 HG2 GLU A 68 20.120 0.362 2.479 1.00 0.96 H new ATOM 0 HG3 GLU A 68 18.994 1.185 3.540 1.00 0.96 H new ATOM 1109 N ASP A 69 18.802 -2.158 1.109 1.00 0.52 N ATOM 1110 CA ASP A 69 19.258 -3.071 0.066 1.00 0.49 C ATOM 1111 C ASP A 69 18.227 -4.167 -0.191 1.00 0.44 C ATOM 1112 O ASP A 69 18.522 -5.357 -0.076 1.00 0.54 O ATOM 1113 CB ASP A 69 20.610 -3.683 0.448 1.00 0.59 C ATOM 1114 CG ASP A 69 21.677 -3.409 -0.595 1.00 1.06 C ATOM 1115 OD1 ASP A 69 21.848 -2.232 -0.972 1.00 1.87 O ATOM 1116 OD2 ASP A 69 22.338 -4.373 -1.036 1.00 1.66 O ATOM 0 H ASP A 69 18.571 -1.223 0.774 1.00 0.52 H new ATOM 0 HA ASP A 69 19.380 -2.502 -0.855 1.00 0.49 H new ATOM 0 HB2 ASP A 69 20.931 -3.280 1.409 1.00 0.59 H new ATOM 0 HB3 ASP A 69 20.497 -4.760 0.576 1.00 0.59 H new ATOM 1121 N ALA A 70 17.013 -3.755 -0.541 1.00 0.40 N ATOM 1122 CA ALA A 70 15.937 -4.697 -0.817 1.00 0.40 C ATOM 1123 C ALA A 70 14.765 -4.008 -1.504 1.00 0.35 C ATOM 1124 O ALA A 70 14.154 -3.096 -0.948 1.00 0.36 O ATOM 1125 CB ALA A 70 15.468 -5.357 0.469 1.00 0.49 C ATOM 0 H ALA A 70 16.751 -2.774 -0.640 1.00 0.40 H new ATOM 0 HA ALA A 70 16.327 -5.461 -1.489 1.00 0.40 H new ATOM 0 HB1 ALA A 70 14.664 -6.058 0.246 1.00 0.49 H new ATOM 0 HB2 ALA A 70 16.299 -5.892 0.927 1.00 0.49 H new ATOM 0 HB3 ALA A 70 15.104 -4.594 1.158 1.00 0.49 H new ATOM 1131 N ALA A 71 14.451 -4.454 -2.714 1.00 0.33 N ATOM 1132 CA ALA A 71 13.346 -3.884 -3.468 1.00 0.30 C ATOM 1133 C ALA A 71 12.015 -4.289 -2.850 1.00 0.27 C ATOM 1134 O ALA A 71 11.736 -5.476 -2.676 1.00 0.36 O ATOM 1135 CB ALA A 71 13.429 -4.310 -4.925 1.00 0.34 C ATOM 0 H ALA A 71 14.946 -5.207 -3.192 1.00 0.33 H new ATOM 0 HA ALA A 71 13.415 -2.797 -3.429 1.00 0.30 H new ATOM 0 HB1 ALA A 71 12.596 -3.877 -5.479 1.00 0.34 H new ATOM 0 HB2 ALA A 71 14.369 -3.962 -5.353 1.00 0.34 H new ATOM 0 HB3 ALA A 71 13.381 -5.397 -4.990 1.00 0.34 H new ATOM 1141 N TYR A 72 11.204 -3.296 -2.502 1.00 0.24 N ATOM 1142 CA TYR A 72 9.911 -3.551 -1.878 1.00 0.24 C ATOM 1143 C TYR A 72 8.746 -3.021 -2.707 1.00 0.21 C ATOM 1144 O TYR A 72 8.719 -1.849 -3.076 1.00 0.23 O ATOM 1145 CB TYR A 72 9.872 -2.902 -0.497 1.00 0.30 C ATOM 1146 CG TYR A 72 10.544 -3.718 0.577 1.00 0.31 C ATOM 1147 CD1 TYR A 72 9.840 -4.695 1.266 1.00 0.49 C ATOM 1148 CD2 TYR A 72 11.880 -3.510 0.905 1.00 0.36 C ATOM 1149 CE1 TYR A 72 10.441 -5.447 2.253 1.00 0.56 C ATOM 1150 CE2 TYR A 72 12.490 -4.259 1.894 1.00 0.42 C ATOM 1151 CZ TYR A 72 11.767 -5.227 2.564 1.00 0.46 C ATOM 1152 OH TYR A 72 12.371 -5.976 3.550 1.00 0.56 O ATOM 0 H TYR A 72 11.419 -2.309 -2.641 1.00 0.24 H new ATOM 0 HA TYR A 72 9.800 -4.633 -1.802 1.00 0.24 H new ATOM 0 HB2 TYR A 72 10.351 -1.925 -0.551 1.00 0.30 H new ATOM 0 HB3 TYR A 72 8.833 -2.732 -0.215 1.00 0.30 H new ATOM 0 HD1 TYR A 72 8.802 -4.870 1.025 1.00 0.49 H new ATOM 0 HD2 TYR A 72 12.447 -2.755 0.381 1.00 0.36 H new ATOM 0 HE1 TYR A 72 9.877 -6.203 2.779 1.00 0.56 H new ATOM 0 HE2 TYR A 72 13.527 -4.088 2.142 1.00 0.42 H new ATOM 0 HH TYR A 72 13.306 -5.698 3.646 1.00 0.56 H new ATOM 1162 N GLU A 73 7.773 -3.889 -2.969 1.00 0.21 N ATOM 1163 CA GLU A 73 6.582 -3.513 -3.727 1.00 0.21 C ATOM 1164 C GLU A 73 5.411 -3.357 -2.762 1.00 0.23 C ATOM 1165 O GLU A 73 5.340 -4.071 -1.764 1.00 0.32 O ATOM 1166 CB GLU A 73 6.261 -4.576 -4.782 1.00 0.25 C ATOM 1167 CG GLU A 73 6.036 -4.007 -6.175 1.00 0.65 C ATOM 1168 CD GLU A 73 6.223 -5.043 -7.266 1.00 0.68 C ATOM 1169 OE1 GLU A 73 7.388 -5.354 -7.594 1.00 1.32 O ATOM 1170 OE2 GLU A 73 5.206 -5.543 -7.792 1.00 1.50 O ATOM 0 H GLU A 73 7.786 -4.863 -2.666 1.00 0.21 H new ATOM 0 HA GLU A 73 6.762 -2.569 -4.241 1.00 0.21 H new ATOM 0 HB2 GLU A 73 7.079 -5.295 -4.821 1.00 0.25 H new ATOM 0 HB3 GLU A 73 5.370 -5.123 -4.474 1.00 0.25 H new ATOM 0 HG2 GLU A 73 5.028 -3.597 -6.237 1.00 0.65 H new ATOM 0 HG3 GLU A 73 6.727 -3.181 -6.342 1.00 0.65 H new ATOM 1177 N PHE A 74 4.496 -2.425 -3.029 1.00 0.22 N ATOM 1178 CA PHE A 74 3.365 -2.246 -2.098 1.00 0.28 C ATOM 1179 C PHE A 74 2.036 -1.931 -2.780 1.00 0.25 C ATOM 1180 O PHE A 74 1.936 -1.020 -3.590 1.00 0.30 O ATOM 1181 CB PHE A 74 3.647 -1.149 -1.060 1.00 0.39 C ATOM 1182 CG PHE A 74 5.098 -0.904 -0.772 1.00 0.36 C ATOM 1183 CD1 PHE A 74 5.955 -0.487 -1.772 1.00 0.52 C ATOM 1184 CD2 PHE A 74 5.604 -1.080 0.506 1.00 0.42 C ATOM 1185 CE1 PHE A 74 7.286 -0.255 -1.508 1.00 0.60 C ATOM 1186 CE2 PHE A 74 6.938 -0.847 0.776 1.00 0.49 C ATOM 1187 CZ PHE A 74 7.780 -0.433 -0.237 1.00 0.53 C ATOM 0 H PHE A 74 4.504 -1.806 -3.840 1.00 0.22 H new ATOM 0 HA PHE A 74 3.269 -3.216 -1.610 1.00 0.28 H new ATOM 0 HB2 PHE A 74 3.199 -0.218 -1.407 1.00 0.39 H new ATOM 0 HB3 PHE A 74 3.147 -1.415 -0.128 1.00 0.39 H new ATOM 0 HD1 PHE A 74 5.576 -0.341 -2.773 1.00 0.52 H new ATOM 0 HD2 PHE A 74 4.947 -1.403 1.300 1.00 0.42 H new ATOM 0 HE1 PHE A 74 7.944 0.068 -2.301 1.00 0.60 H new ATOM 0 HE2 PHE A 74 7.321 -0.988 1.776 1.00 0.49 H new ATOM 0 HZ PHE A 74 8.824 -0.249 -0.032 1.00 0.53 H new ATOM 1197 N ARG A 75 1.003 -2.678 -2.402 1.00 0.27 N ATOM 1198 CA ARG A 75 -0.340 -2.474 -2.936 1.00 0.34 C ATOM 1199 C ARG A 75 -1.278 -2.036 -1.820 1.00 0.31 C ATOM 1200 O ARG A 75 -0.852 -1.884 -0.676 1.00 0.45 O ATOM 1201 CB ARG A 75 -0.871 -3.749 -3.591 1.00 0.46 C ATOM 1202 CG ARG A 75 -0.383 -5.028 -2.930 1.00 0.94 C ATOM 1203 CD ARG A 75 -1.446 -6.113 -2.952 1.00 1.08 C ATOM 1204 NE ARG A 75 -1.274 -7.028 -4.079 1.00 0.87 N ATOM 1205 CZ ARG A 75 -1.748 -6.799 -5.302 1.00 1.39 C ATOM 1206 NH1 ARG A 75 -2.422 -5.687 -5.563 1.00 2.11 N ATOM 1207 NH2 ARG A 75 -1.543 -7.684 -6.269 1.00 1.87 N ATOM 0 H ARG A 75 1.072 -3.436 -1.723 1.00 0.27 H new ATOM 0 HA ARG A 75 -0.291 -1.695 -3.697 1.00 0.34 H new ATOM 0 HB2 ARG A 75 -1.961 -3.732 -3.567 1.00 0.46 H new ATOM 0 HB3 ARG A 75 -0.575 -3.758 -4.640 1.00 0.46 H new ATOM 0 HG2 ARG A 75 0.511 -5.384 -3.442 1.00 0.94 H new ATOM 0 HG3 ARG A 75 -0.098 -4.819 -1.899 1.00 0.94 H new ATOM 0 HD2 ARG A 75 -1.408 -6.676 -2.019 1.00 1.08 H new ATOM 0 HD3 ARG A 75 -2.432 -5.653 -3.007 1.00 1.08 H new ATOM 0 HE ARG A 75 -0.760 -7.894 -3.919 1.00 0.87 H new ATOM 0 HH11 ARG A 75 -2.580 -5.001 -4.825 1.00 2.11 H new ATOM 0 HH12 ARG A 75 -2.782 -5.518 -6.502 1.00 2.11 H new ATOM 0 HH21 ARG A 75 -1.022 -8.540 -6.075 1.00 1.87 H new ATOM 0 HH22 ARG A 75 -1.906 -7.509 -7.206 1.00 1.87 H new ATOM 1221 N VAL A 76 -2.553 -1.830 -2.140 1.00 0.32 N ATOM 1222 CA VAL A 76 -3.506 -1.404 -1.118 1.00 0.39 C ATOM 1223 C VAL A 76 -4.803 -2.219 -1.145 1.00 0.31 C ATOM 1224 O VAL A 76 -5.625 -2.078 -2.051 1.00 0.43 O ATOM 1225 CB VAL A 76 -3.837 0.113 -1.241 1.00 0.60 C ATOM 1226 CG1 VAL A 76 -5.064 0.502 -0.416 1.00 0.47 C ATOM 1227 CG2 VAL A 76 -2.649 0.959 -0.806 1.00 0.54 C ATOM 0 H VAL A 76 -2.944 -1.947 -3.075 1.00 0.32 H new ATOM 0 HA VAL A 76 -3.017 -1.585 -0.161 1.00 0.39 H new ATOM 0 HB VAL A 76 -4.058 0.303 -2.291 1.00 0.60 H new ATOM 0 HG11 VAL A 76 -5.257 1.568 -0.532 1.00 0.47 H new ATOM 0 HG12 VAL A 76 -5.929 -0.063 -0.762 1.00 0.47 H new ATOM 0 HG13 VAL A 76 -4.881 0.279 0.635 1.00 0.47 H new ATOM 0 HG21 VAL A 76 -2.901 2.015 -0.900 1.00 0.54 H new ATOM 0 HG22 VAL A 76 -2.403 0.735 0.232 1.00 0.54 H new ATOM 0 HG23 VAL A 76 -1.791 0.733 -1.439 1.00 0.54 H new ATOM 1237 N ILE A 77 -4.988 -3.035 -0.112 1.00 0.33 N ATOM 1238 CA ILE A 77 -6.183 -3.835 0.043 1.00 0.31 C ATOM 1239 C ILE A 77 -7.018 -3.184 1.139 1.00 0.30 C ATOM 1240 O ILE A 77 -6.468 -2.685 2.120 1.00 0.42 O ATOM 1241 CB ILE A 77 -5.846 -5.298 0.440 1.00 0.40 C ATOM 1242 CG1 ILE A 77 -5.281 -6.072 -0.748 1.00 0.45 C ATOM 1243 CG2 ILE A 77 -7.073 -6.013 0.980 1.00 0.70 C ATOM 1244 CD1 ILE A 77 -4.700 -7.414 -0.368 1.00 0.42 C ATOM 0 H ILE A 77 -4.308 -3.155 0.639 1.00 0.33 H new ATOM 0 HA ILE A 77 -6.723 -3.877 -0.903 1.00 0.31 H new ATOM 0 HB ILE A 77 -5.090 -5.257 1.224 1.00 0.40 H new ATOM 0 HG12 ILE A 77 -6.071 -6.222 -1.484 1.00 0.45 H new ATOM 0 HG13 ILE A 77 -4.508 -5.472 -1.228 1.00 0.45 H new ATOM 0 HG21 ILE A 77 -6.809 -7.035 1.250 1.00 0.70 H new ATOM 0 HG22 ILE A 77 -7.441 -5.488 1.862 1.00 0.70 H new ATOM 0 HG23 ILE A 77 -7.850 -6.029 0.216 1.00 0.70 H new ATOM 0 HD11 ILE A 77 -4.317 -7.910 -1.260 1.00 0.42 H new ATOM 0 HD12 ILE A 77 -3.888 -7.270 0.345 1.00 0.42 H new ATOM 0 HD13 ILE A 77 -5.476 -8.031 0.085 1.00 0.42 H new ATOM 1256 N ALA A 78 -8.330 -3.176 0.987 1.00 0.27 N ATOM 1257 CA ALA A 78 -9.172 -2.561 2.004 1.00 0.30 C ATOM 1258 C ALA A 78 -10.534 -3.216 2.072 1.00 0.34 C ATOM 1259 O ALA A 78 -10.773 -4.241 1.443 1.00 0.60 O ATOM 1260 CB ALA A 78 -9.318 -1.070 1.741 1.00 0.39 C ATOM 0 H ALA A 78 -8.828 -3.576 0.192 1.00 0.27 H new ATOM 0 HA ALA A 78 -8.684 -2.707 2.968 1.00 0.30 H new ATOM 0 HB1 ALA A 78 -9.950 -0.625 2.510 1.00 0.39 H new ATOM 0 HB2 ALA A 78 -8.335 -0.599 1.762 1.00 0.39 H new ATOM 0 HB3 ALA A 78 -9.774 -0.916 0.763 1.00 0.39 H new ATOM 1266 N LYS A 79 -11.422 -2.608 2.838 1.00 0.38 N ATOM 1267 CA LYS A 79 -12.772 -3.113 2.990 1.00 0.43 C ATOM 1268 C LYS A 79 -13.766 -1.994 2.752 1.00 0.59 C ATOM 1269 O LYS A 79 -13.386 -0.881 2.389 1.00 1.31 O ATOM 1270 CB LYS A 79 -12.990 -3.705 4.379 1.00 0.56 C ATOM 1271 CG LYS A 79 -12.376 -5.076 4.577 1.00 1.07 C ATOM 1272 CD LYS A 79 -13.370 -6.028 5.225 1.00 1.50 C ATOM 1273 CE LYS A 79 -12.843 -6.582 6.538 1.00 1.71 C ATOM 1274 NZ LYS A 79 -13.937 -7.138 7.381 1.00 1.98 N ATOM 0 H LYS A 79 -11.229 -1.758 3.367 1.00 0.38 H new ATOM 0 HA LYS A 79 -12.922 -3.904 2.256 1.00 0.43 H new ATOM 0 HB2 LYS A 79 -12.574 -3.023 5.121 1.00 0.56 H new ATOM 0 HB3 LYS A 79 -14.061 -3.769 4.570 1.00 0.56 H new ATOM 0 HG2 LYS A 79 -12.056 -5.478 3.616 1.00 1.07 H new ATOM 0 HG3 LYS A 79 -11.486 -4.994 5.201 1.00 1.07 H new ATOM 0 HD2 LYS A 79 -14.311 -5.507 5.401 1.00 1.50 H new ATOM 0 HD3 LYS A 79 -13.584 -6.851 4.543 1.00 1.50 H new ATOM 0 HE2 LYS A 79 -12.108 -7.361 6.335 1.00 1.71 H new ATOM 0 HE3 LYS A 79 -12.328 -5.793 7.085 1.00 1.71 H new ATOM 0 HZ1 LYS A 79 -13.539 -7.506 8.268 1.00 1.98 H new ATOM 0 HZ2 LYS A 79 -14.625 -6.388 7.595 1.00 1.98 H new ATOM 0 HZ3 LYS A 79 -14.413 -7.908 6.869 1.00 1.98 H new ATOM 1288 N ASN A 80 -15.040 -2.289 2.951 1.00 0.65 N ATOM 1289 CA ASN A 80 -16.072 -1.298 2.748 1.00 0.70 C ATOM 1290 C ASN A 80 -17.056 -1.269 3.915 1.00 0.87 C ATOM 1291 O ASN A 80 -17.125 -2.206 4.708 1.00 1.55 O ATOM 1292 CB ASN A 80 -16.799 -1.583 1.445 1.00 0.67 C ATOM 1293 CG ASN A 80 -15.980 -1.161 0.243 1.00 1.39 C ATOM 1294 OD1 ASN A 80 -16.319 -0.206 -0.452 1.00 2.19 O ATOM 1295 ND2 ASN A 80 -14.889 -1.876 -0.002 1.00 2.05 N ATOM 0 H ASN A 80 -15.379 -3.203 3.251 1.00 0.65 H new ATOM 0 HA ASN A 80 -15.602 -0.316 2.694 1.00 0.70 H new ATOM 0 HB2 ASN A 80 -17.022 -2.648 1.378 1.00 0.67 H new ATOM 0 HB3 ASN A 80 -17.753 -1.057 1.438 1.00 0.67 H new ATOM 0 HD21 ASN A 80 -14.292 -1.641 -0.795 1.00 2.05 H new ATOM 0 HD22 ASN A 80 -14.647 -2.661 0.603 1.00 2.05 H new ATOM 1302 N ALA A 81 -17.805 -0.178 4.014 1.00 0.76 N ATOM 1303 CA ALA A 81 -18.788 0.001 5.080 1.00 0.82 C ATOM 1304 C ALA A 81 -19.612 -1.262 5.336 1.00 0.88 C ATOM 1305 O ALA A 81 -20.087 -1.482 6.451 1.00 1.08 O ATOM 1306 CB ALA A 81 -19.716 1.160 4.742 1.00 0.83 C ATOM 0 H ALA A 81 -17.750 0.605 3.362 1.00 0.76 H new ATOM 0 HA ALA A 81 -18.234 0.219 5.993 1.00 0.82 H new ATOM 0 HB1 ALA A 81 -20.446 1.287 5.542 1.00 0.83 H new ATOM 0 HB2 ALA A 81 -19.132 2.074 4.635 1.00 0.83 H new ATOM 0 HB3 ALA A 81 -20.235 0.950 3.807 1.00 0.83 H new ATOM 1312 N ALA A 82 -19.795 -2.080 4.305 1.00 0.81 N ATOM 1313 CA ALA A 82 -20.583 -3.306 4.435 1.00 0.90 C ATOM 1314 C ALA A 82 -19.757 -4.487 4.941 1.00 0.88 C ATOM 1315 O ALA A 82 -20.306 -5.550 5.231 1.00 1.06 O ATOM 1316 CB ALA A 82 -21.232 -3.657 3.106 1.00 0.94 C ATOM 0 H ALA A 82 -19.412 -1.920 3.373 1.00 0.81 H new ATOM 0 HA ALA A 82 -21.353 -3.110 5.181 1.00 0.90 H new ATOM 0 HB1 ALA A 82 -21.815 -4.571 3.216 1.00 0.94 H new ATOM 0 HB2 ALA A 82 -21.887 -2.843 2.795 1.00 0.94 H new ATOM 0 HB3 ALA A 82 -20.459 -3.808 2.352 1.00 0.94 H new ATOM 1322 N GLY A 83 -18.445 -4.312 5.045 1.00 0.82 N ATOM 1323 CA GLY A 83 -17.600 -5.391 5.514 1.00 0.86 C ATOM 1324 C GLY A 83 -16.851 -6.072 4.386 1.00 0.78 C ATOM 1325 O GLY A 83 -15.876 -6.785 4.623 1.00 0.93 O ATOM 0 H GLY A 83 -17.955 -3.448 4.814 1.00 0.82 H new ATOM 0 HA2 GLY A 83 -16.884 -5.000 6.237 1.00 0.86 H new ATOM 0 HA3 GLY A 83 -18.212 -6.127 6.036 1.00 0.86 H new ATOM 1329 N ALA A 84 -17.304 -5.851 3.157 1.00 0.72 N ATOM 1330 CA ALA A 84 -16.663 -6.446 1.996 1.00 0.78 C ATOM 1331 C ALA A 84 -15.187 -6.086 1.978 1.00 0.76 C ATOM 1332 O ALA A 84 -14.765 -5.144 2.651 1.00 1.38 O ATOM 1333 CB ALA A 84 -17.341 -5.982 0.716 1.00 0.92 C ATOM 0 H ALA A 84 -18.111 -5.265 2.942 1.00 0.72 H new ATOM 0 HA ALA A 84 -16.760 -7.530 2.058 1.00 0.78 H new ATOM 0 HB1 ALA A 84 -16.848 -6.437 -0.143 1.00 0.92 H new ATOM 0 HB2 ALA A 84 -18.390 -6.279 0.732 1.00 0.92 H new ATOM 0 HB3 ALA A 84 -17.272 -4.897 0.640 1.00 0.92 H new ATOM 1339 N ILE A 85 -14.400 -6.831 1.217 1.00 0.50 N ATOM 1340 CA ILE A 85 -12.974 -6.566 1.139 1.00 0.40 C ATOM 1341 C ILE A 85 -12.559 -6.143 -0.263 1.00 0.38 C ATOM 1342 O ILE A 85 -12.354 -6.978 -1.144 1.00 0.48 O ATOM 1343 CB ILE A 85 -12.143 -7.795 1.574 1.00 0.48 C ATOM 1344 CG1 ILE A 85 -10.653 -7.439 1.657 1.00 0.54 C ATOM 1345 CG2 ILE A 85 -12.364 -8.958 0.618 1.00 0.57 C ATOM 1346 CD1 ILE A 85 -10.063 -7.631 3.036 1.00 0.79 C ATOM 0 H ILE A 85 -14.721 -7.616 0.650 1.00 0.50 H new ATOM 0 HA ILE A 85 -12.773 -5.745 1.827 1.00 0.40 H new ATOM 0 HB ILE A 85 -12.477 -8.099 2.566 1.00 0.48 H new ATOM 0 HG12 ILE A 85 -10.101 -8.053 0.945 1.00 0.54 H new ATOM 0 HG13 ILE A 85 -10.518 -6.401 1.354 1.00 0.54 H new ATOM 0 HG21 ILE A 85 -11.770 -9.813 0.942 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -13.420 -9.230 0.614 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -12.061 -8.665 -0.387 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.007 -7.360 3.021 1.00 0.79 H new ATOM 0 HD12 ILE A 85 -10.590 -6.997 3.749 1.00 0.79 H new ATOM 0 HD13 ILE A 85 -10.166 -8.674 3.334 1.00 0.79 H new ATOM 1358 N SER A 86 -12.426 -4.835 -0.467 1.00 0.39 N ATOM 1359 CA SER A 86 -12.017 -4.325 -1.767 1.00 0.45 C ATOM 1360 C SER A 86 -10.710 -5.003 -2.189 1.00 0.44 C ATOM 1361 O SER A 86 -9.681 -4.843 -1.517 1.00 0.43 O ATOM 1362 CB SER A 86 -11.856 -2.796 -1.738 1.00 0.54 C ATOM 1363 OG SER A 86 -10.493 -2.405 -1.738 1.00 0.59 O ATOM 0 H SER A 86 -12.593 -4.120 0.241 1.00 0.39 H new ATOM 0 HA SER A 86 -12.793 -4.556 -2.497 1.00 0.45 H new ATOM 0 HB2 SER A 86 -12.358 -2.362 -2.603 1.00 0.54 H new ATOM 0 HB3 SER A 86 -12.348 -2.396 -0.851 1.00 0.54 H new ATOM 0 HG SER A 86 -9.956 -3.091 -1.290 1.00 0.59 H new ATOM 1369 N PRO A 87 -10.736 -5.773 -3.295 1.00 0.52 N ATOM 1370 CA PRO A 87 -9.563 -6.484 -3.795 1.00 0.61 C ATOM 1371 C PRO A 87 -8.286 -5.653 -3.726 1.00 0.54 C ATOM 1372 O PRO A 87 -8.328 -4.447 -3.487 1.00 0.63 O ATOM 1373 CB PRO A 87 -9.928 -6.781 -5.243 1.00 0.85 C ATOM 1374 CG PRO A 87 -11.413 -6.906 -5.244 1.00 0.74 C ATOM 1375 CD PRO A 87 -11.921 -6.014 -4.139 1.00 0.59 C ATOM 0 HA PRO A 87 -9.345 -7.370 -3.199 1.00 0.61 H new ATOM 0 HB2 PRO A 87 -9.598 -5.981 -5.906 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -9.454 -7.699 -5.590 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -11.827 -6.605 -6.206 1.00 0.74 H new ATOM 0 HG3 PRO A 87 -11.715 -7.940 -5.077 1.00 0.74 H new ATOM 0 HD2 PRO A 87 -12.325 -5.082 -4.534 1.00 0.59 H new ATOM 0 HD3 PRO A 87 -12.721 -6.494 -3.575 1.00 0.59 H new ATOM 1383 N PRO A 88 -7.128 -6.302 -3.932 1.00 0.55 N ATOM 1384 CA PRO A 88 -5.822 -5.636 -3.889 1.00 0.56 C ATOM 1385 C PRO A 88 -5.635 -4.609 -4.993 1.00 0.48 C ATOM 1386 O PRO A 88 -5.705 -4.930 -6.180 1.00 0.68 O ATOM 1387 CB PRO A 88 -4.817 -6.785 -4.055 1.00 0.69 C ATOM 1388 CG PRO A 88 -5.591 -8.029 -3.780 1.00 0.76 C ATOM 1389 CD PRO A 88 -6.994 -7.740 -4.216 1.00 0.72 C ATOM 0 HA PRO A 88 -5.701 -5.072 -2.964 1.00 0.56 H new ATOM 0 HB2 PRO A 88 -4.397 -6.798 -5.061 1.00 0.69 H new ATOM 0 HB3 PRO A 88 -3.982 -6.680 -3.362 1.00 0.69 H new ATOM 0 HG2 PRO A 88 -5.178 -8.876 -4.328 1.00 0.76 H new ATOM 0 HG3 PRO A 88 -5.555 -8.286 -2.721 1.00 0.76 H new ATOM 0 HD2 PRO A 88 -7.144 -7.960 -5.273 1.00 0.72 H new ATOM 0 HD3 PRO A 88 -7.721 -8.332 -3.661 1.00 0.72 H new ATOM 1397 N SER A 89 -5.379 -3.371 -4.589 1.00 0.43 N ATOM 1398 CA SER A 89 -5.157 -2.291 -5.535 1.00 0.42 C ATOM 1399 C SER A 89 -3.738 -2.388 -6.084 1.00 0.35 C ATOM 1400 O SER A 89 -2.778 -2.414 -5.307 1.00 0.51 O ATOM 1401 CB SER A 89 -5.376 -0.934 -4.861 1.00 0.56 C ATOM 1402 OG SER A 89 -6.728 -0.772 -4.467 1.00 1.28 O ATOM 0 H SER A 89 -5.320 -3.092 -3.610 1.00 0.43 H new ATOM 0 HA SER A 89 -5.869 -2.380 -6.355 1.00 0.42 H new ATOM 0 HB2 SER A 89 -4.727 -0.849 -3.989 1.00 0.56 H new ATOM 0 HB3 SER A 89 -5.096 -0.134 -5.547 1.00 0.56 H new ATOM 0 HG SER A 89 -7.107 0.014 -4.914 1.00 1.28 H new ATOM 1408 N GLU A 90 -3.625 -2.459 -7.421 1.00 0.38 N ATOM 1409 CA GLU A 90 -2.333 -2.574 -8.131 1.00 0.37 C ATOM 1410 C GLU A 90 -1.145 -2.063 -7.305 1.00 0.34 C ATOM 1411 O GLU A 90 -1.097 -0.892 -6.945 1.00 0.44 O ATOM 1412 CB GLU A 90 -2.399 -1.814 -9.455 1.00 0.49 C ATOM 1413 CG GLU A 90 -2.948 -2.643 -10.604 1.00 0.90 C ATOM 1414 CD GLU A 90 -1.877 -3.019 -11.611 1.00 1.10 C ATOM 1415 OE1 GLU A 90 -1.507 -2.156 -12.432 1.00 1.76 O ATOM 1416 OE2 GLU A 90 -1.411 -4.177 -11.575 1.00 1.77 O ATOM 0 H GLU A 90 -4.431 -2.438 -8.046 1.00 0.38 H new ATOM 0 HA GLU A 90 -2.166 -3.636 -8.309 1.00 0.37 H new ATOM 0 HB2 GLU A 90 -3.022 -0.929 -9.326 1.00 0.49 H new ATOM 0 HB3 GLU A 90 -1.400 -1.465 -9.715 1.00 0.49 H new ATOM 0 HG2 GLU A 90 -3.405 -3.550 -10.208 1.00 0.90 H new ATOM 0 HG3 GLU A 90 -3.736 -2.083 -11.108 1.00 0.90 H new ATOM 1423 N PRO A 91 -0.176 -2.946 -6.985 1.00 0.30 N ATOM 1424 CA PRO A 91 1.004 -2.582 -6.184 1.00 0.29 C ATOM 1425 C PRO A 91 1.866 -1.491 -6.810 1.00 0.31 C ATOM 1426 O PRO A 91 1.760 -1.195 -8.002 1.00 0.55 O ATOM 1427 CB PRO A 91 1.802 -3.889 -6.098 1.00 0.36 C ATOM 1428 CG PRO A 91 0.816 -4.966 -6.387 1.00 0.36 C ATOM 1429 CD PRO A 91 -0.157 -4.370 -7.361 1.00 0.39 C ATOM 0 HA PRO A 91 0.700 -2.171 -5.221 1.00 0.29 H new ATOM 0 HB2 PRO A 91 2.620 -3.900 -6.819 1.00 0.36 H new ATOM 0 HB3 PRO A 91 2.246 -4.016 -5.110 1.00 0.36 H new ATOM 0 HG2 PRO A 91 1.306 -5.843 -6.809 1.00 0.36 H new ATOM 0 HG3 PRO A 91 0.311 -5.290 -5.477 1.00 0.36 H new ATOM 0 HD2 PRO A 91 0.168 -4.510 -8.392 1.00 0.39 H new ATOM 0 HD3 PRO A 91 -1.144 -4.823 -7.273 1.00 0.39 H new ATOM 1437 N SER A 92 2.729 -0.905 -5.982 1.00 0.27 N ATOM 1438 CA SER A 92 3.639 0.145 -6.412 1.00 0.31 C ATOM 1439 C SER A 92 5.008 -0.445 -6.679 1.00 0.27 C ATOM 1440 O SER A 92 5.409 -1.411 -6.017 1.00 0.24 O ATOM 1441 CB SER A 92 3.759 1.243 -5.351 1.00 0.39 C ATOM 1442 OG SER A 92 3.509 0.738 -4.052 1.00 1.23 O ATOM 0 H SER A 92 2.814 -1.148 -4.995 1.00 0.27 H new ATOM 0 HA SER A 92 3.239 0.588 -7.324 1.00 0.31 H new ATOM 0 HB2 SER A 92 4.758 1.678 -5.387 1.00 0.39 H new ATOM 0 HB3 SER A 92 3.054 2.044 -5.573 1.00 0.39 H new ATOM 0 HG SER A 92 2.551 0.557 -3.950 1.00 1.23 H new ATOM 1448 N ASP A 93 5.716 0.143 -7.647 1.00 0.33 N ATOM 1449 CA ASP A 93 7.054 -0.304 -8.034 1.00 0.36 C ATOM 1450 C ASP A 93 7.866 -0.768 -6.833 1.00 0.32 C ATOM 1451 O ASP A 93 7.583 -0.396 -5.694 1.00 0.56 O ATOM 1452 CB ASP A 93 7.800 0.817 -8.758 1.00 0.45 C ATOM 1453 CG ASP A 93 7.810 0.627 -10.262 1.00 0.89 C ATOM 1454 OD1 ASP A 93 6.733 0.748 -10.883 1.00 1.55 O ATOM 1455 OD2 ASP A 93 8.895 0.358 -10.818 1.00 1.63 O ATOM 0 H ASP A 93 5.377 0.942 -8.183 1.00 0.33 H new ATOM 0 HA ASP A 93 6.930 -1.154 -8.705 1.00 0.36 H new ATOM 0 HB2 ASP A 93 7.335 1.773 -8.518 1.00 0.45 H new ATOM 0 HB3 ASP A 93 8.826 0.862 -8.393 1.00 0.45 H new ATOM 1460 N ALA A 94 8.872 -1.585 -7.095 1.00 0.33 N ATOM 1461 CA ALA A 94 9.715 -2.102 -6.035 1.00 0.28 C ATOM 1462 C ALA A 94 10.879 -1.161 -5.737 1.00 0.29 C ATOM 1463 O ALA A 94 11.790 -1.007 -6.551 1.00 0.41 O ATOM 1464 CB ALA A 94 10.236 -3.478 -6.396 1.00 0.34 C ATOM 0 H ALA A 94 9.123 -1.903 -8.031 1.00 0.33 H new ATOM 0 HA ALA A 94 9.105 -2.177 -5.135 1.00 0.28 H new ATOM 0 HB1 ALA A 94 10.867 -3.851 -5.589 1.00 0.34 H new ATOM 0 HB2 ALA A 94 9.397 -4.157 -6.544 1.00 0.34 H new ATOM 0 HB3 ALA A 94 10.820 -3.417 -7.315 1.00 0.34 H new ATOM 1470 N ILE A 95 10.846 -0.537 -4.564 1.00 0.25 N ATOM 1471 CA ILE A 95 11.899 0.383 -4.153 1.00 0.28 C ATOM 1472 C ILE A 95 13.067 -0.382 -3.536 1.00 0.26 C ATOM 1473 O ILE A 95 12.948 -0.932 -2.443 1.00 0.25 O ATOM 1474 CB ILE A 95 11.354 1.415 -3.137 1.00 0.33 C ATOM 1475 CG1 ILE A 95 10.308 2.300 -3.810 1.00 0.41 C ATOM 1476 CG2 ILE A 95 12.469 2.271 -2.544 1.00 0.41 C ATOM 1477 CD1 ILE A 95 8.893 1.801 -3.631 1.00 0.44 C ATOM 0 H ILE A 95 10.099 -0.653 -3.880 1.00 0.25 H new ATOM 0 HA ILE A 95 12.251 0.912 -5.039 1.00 0.28 H new ATOM 0 HB ILE A 95 10.893 0.866 -2.316 1.00 0.33 H new ATOM 0 HG12 ILE A 95 10.383 3.310 -3.406 1.00 0.41 H new ATOM 0 HG13 ILE A 95 10.530 2.366 -4.875 1.00 0.41 H new ATOM 0 HG21 ILE A 95 12.044 2.982 -1.836 1.00 0.41 H new ATOM 0 HG22 ILE A 95 13.185 1.630 -2.029 1.00 0.41 H new ATOM 0 HG23 ILE A 95 12.976 2.813 -3.343 1.00 0.41 H new ATOM 0 HD11 ILE A 95 8.202 2.477 -4.134 1.00 0.44 H new ATOM 0 HD12 ILE A 95 8.802 0.803 -4.061 1.00 0.44 H new ATOM 0 HD13 ILE A 95 8.653 1.762 -2.569 1.00 0.44 H new ATOM 1489 N THR A 96 14.200 -0.411 -4.240 1.00 0.29 N ATOM 1490 CA THR A 96 15.389 -1.109 -3.749 1.00 0.32 C ATOM 1491 C THR A 96 15.645 -0.770 -2.288 1.00 0.32 C ATOM 1492 O THR A 96 16.042 -1.627 -1.498 1.00 0.38 O ATOM 1493 CB THR A 96 16.614 -0.740 -4.587 1.00 0.37 C ATOM 1494 OG1 THR A 96 16.322 -0.819 -5.971 1.00 0.44 O ATOM 1495 CG2 THR A 96 17.809 -1.630 -4.317 1.00 0.43 C ATOM 0 H THR A 96 14.319 0.039 -5.148 1.00 0.29 H new ATOM 0 HA THR A 96 15.210 -2.181 -3.836 1.00 0.32 H new ATOM 0 HB THR A 96 16.865 0.280 -4.298 1.00 0.37 H new ATOM 0 HG1 THR A 96 17.119 -0.577 -6.488 1.00 0.44 H new ATOM 0 HG21 THR A 96 18.645 -1.317 -4.942 1.00 0.43 H new ATOM 0 HG22 THR A 96 18.092 -1.551 -3.267 1.00 0.43 H new ATOM 0 HG23 THR A 96 17.552 -2.664 -4.547 1.00 0.43 H new ATOM 1503 N CYS A 97 15.411 0.487 -1.935 1.00 0.32 N ATOM 1504 CA CYS A 97 15.612 0.937 -0.569 1.00 0.36 C ATOM 1505 C CYS A 97 17.062 0.721 -0.152 1.00 0.43 C ATOM 1506 O CYS A 97 17.357 -0.121 0.696 1.00 0.64 O ATOM 1507 CB CYS A 97 14.671 0.175 0.370 1.00 0.38 C ATOM 1508 SG CYS A 97 12.914 0.448 0.045 1.00 1.10 S ATOM 0 H CYS A 97 15.083 1.210 -2.576 1.00 0.32 H new ATOM 0 HA CYS A 97 15.389 2.002 -0.508 1.00 0.36 H new ATOM 0 HB2 CYS A 97 14.882 -0.891 0.290 1.00 0.38 H new ATOM 0 HB3 CYS A 97 14.888 0.466 1.398 1.00 0.38 H new ATOM 0 HG CYS A 97 12.603 -0.057 -1.112 1.00 1.10 H new ATOM 1514 N ARG A 98 17.967 1.479 -0.766 1.00 0.53 N ATOM 1515 CA ARG A 98 19.392 1.359 -0.469 1.00 0.63 C ATOM 1516 C ARG A 98 19.872 2.506 0.410 1.00 0.80 C ATOM 1517 O ARG A 98 20.059 2.347 1.614 1.00 1.04 O ATOM 1518 CB ARG A 98 20.230 1.298 -1.761 1.00 0.68 C ATOM 1519 CG ARG A 98 19.420 1.187 -3.051 1.00 0.74 C ATOM 1520 CD ARG A 98 19.130 2.552 -3.654 1.00 0.92 C ATOM 1521 NE ARG A 98 17.696 2.806 -3.777 1.00 1.64 N ATOM 1522 CZ ARG A 98 17.188 3.902 -4.332 1.00 2.31 C ATOM 1523 NH1 ARG A 98 17.993 4.841 -4.812 1.00 2.68 N ATOM 1524 NH2 ARG A 98 15.874 4.061 -4.409 1.00 3.00 N ATOM 0 H ARG A 98 17.740 2.181 -1.470 1.00 0.53 H new ATOM 0 HA ARG A 98 19.529 0.425 0.076 1.00 0.63 H new ATOM 0 HB2 ARG A 98 20.851 2.192 -1.816 1.00 0.68 H new ATOM 0 HB3 ARG A 98 20.905 0.444 -1.699 1.00 0.68 H new ATOM 0 HG2 ARG A 98 19.967 0.580 -3.772 1.00 0.74 H new ATOM 0 HG3 ARG A 98 18.481 0.672 -2.848 1.00 0.74 H new ATOM 0 HD2 ARG A 98 19.583 3.325 -3.033 1.00 0.92 H new ATOM 0 HD3 ARG A 98 19.595 2.620 -4.637 1.00 0.92 H new ATOM 0 HE ARG A 98 17.050 2.104 -3.417 1.00 1.64 H new ATOM 0 HH11 ARG A 98 19.005 4.723 -4.756 1.00 2.68 H new ATOM 0 HH12 ARG A 98 17.600 5.681 -5.237 1.00 2.68 H new ATOM 0 HH21 ARG A 98 15.251 3.342 -4.042 1.00 3.00 H new ATOM 0 HH22 ARG A 98 15.486 4.903 -4.835 1.00 3.00 H new ATOM 1538 N ASP A 99 20.068 3.659 -0.203 1.00 0.92 N ATOM 1539 CA ASP A 99 20.528 4.843 0.512 1.00 1.20 C ATOM 1540 C ASP A 99 19.782 6.090 0.044 1.00 1.03 C ATOM 1541 O ASP A 99 20.233 7.212 0.270 1.00 1.20 O ATOM 1542 CB ASP A 99 22.031 5.029 0.302 1.00 1.61 C ATOM 1543 CG ASP A 99 22.377 5.435 -1.117 1.00 1.71 C ATOM 1544 OD1 ASP A 99 21.476 5.922 -1.832 1.00 2.14 O ATOM 1545 OD2 ASP A 99 23.549 5.268 -1.512 1.00 2.08 O ATOM 0 H ASP A 99 19.916 3.804 -1.201 1.00 0.92 H new ATOM 0 HA ASP A 99 20.325 4.700 1.573 1.00 1.20 H new ATOM 0 HB2 ASP A 99 22.399 5.788 0.993 1.00 1.61 H new ATOM 0 HB3 ASP A 99 22.546 4.099 0.545 1.00 1.61 H new ATOM 1550 N ASP A 100 18.640 5.884 -0.613 1.00 0.85 N ATOM 1551 CA ASP A 100 17.825 6.986 -1.119 1.00 0.92 C ATOM 1552 C ASP A 100 18.675 8.047 -1.795 1.00 1.22 C ATOM 1553 O ASP A 100 18.337 9.230 -1.802 1.00 1.38 O ATOM 1554 CB ASP A 100 17.012 7.610 0.009 1.00 0.87 C ATOM 1555 CG ASP A 100 15.520 7.558 -0.248 1.00 1.32 C ATOM 1556 OD1 ASP A 100 14.903 6.514 0.053 1.00 2.03 O ATOM 1557 OD2 ASP A 100 14.966 8.557 -0.751 1.00 2.06 O ATOM 0 H ASP A 100 18.258 4.958 -0.807 1.00 0.85 H new ATOM 0 HA ASP A 100 17.145 6.574 -1.865 1.00 0.92 H new ATOM 0 HB2 ASP A 100 17.234 7.091 0.942 1.00 0.87 H new ATOM 0 HB3 ASP A 100 17.318 8.648 0.141 1.00 0.87 H new