USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 588 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 49 SER OG : rot 169:sc= 0 USER MOD Set 1.2: A 53 ASN : amide:sc= -0.337 K(o=-0.34,f=-2.1) USER MOD Single : A 7 ASN : amide:sc= -0.361 K(o=-0.36,f=-1.5!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -4.33! C(o=-4.3!,f=-3.4!) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -7.46! C(o=-7.5!,f=-9.9!) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot -68:sc= 0.325 USER MOD Single : A 31 ASN : amide:sc= -0.904 K(o=-0.9,f=-2.7) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0.00032) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.414 K(o=-0.41,f=-2.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= -0.432 USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.013) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0125 K(o=-0.012,f=-0.83) USER MOD Single : A 65 GLN : amide:sc= -0.371 K(o=-0.37,f=-2.6!) USER MOD Single : A 66 GLN : amide:sc= -0.146 K(o=-0.15,f=-1.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -17.786 -13.044 4.217 1.00 6.51 N ATOM 2 CA ILE A 6 -17.551 -12.017 3.208 1.00 5.95 C ATOM 3 C ILE A 6 -17.786 -10.630 3.794 1.00 5.14 C ATOM 4 O ILE A 6 -18.717 -9.928 3.398 1.00 5.46 O ATOM 5 CB ILE A 6 -18.474 -12.240 2.015 1.00 6.67 C ATOM 6 CG1 ILE A 6 -18.479 -13.712 1.607 1.00 7.44 C ATOM 7 CG2 ILE A 6 -18.062 -11.360 0.840 1.00 6.84 C ATOM 8 CD1 ILE A 6 -19.581 -14.490 2.322 1.00 8.10 C ATOM 0 HA ILE A 6 -16.515 -12.084 2.877 1.00 5.95 H new ATOM 0 HB ILE A 6 -19.485 -11.961 2.311 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -18.618 -13.791 0.529 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -17.511 -14.157 1.837 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -18.734 -11.536 0.000 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -18.115 -10.312 1.134 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -17.041 -11.602 0.544 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -19.553 -15.533 2.007 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -19.427 -14.433 3.399 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -20.551 -14.061 2.071 1.00 8.10 H new ATOM 20 N ASN A 7 -16.937 -10.241 4.740 1.00 4.48 N ATOM 21 CA ASN A 7 -17.050 -8.936 5.383 1.00 4.06 C ATOM 22 C ASN A 7 -17.010 -7.822 4.344 1.00 3.11 C ATOM 23 O ASN A 7 -16.812 -8.076 3.156 1.00 3.46 O ATOM 24 CB ASN A 7 -15.916 -8.748 6.386 1.00 4.82 C ATOM 25 CG ASN A 7 -16.476 -8.412 7.763 1.00 5.60 C ATOM 26 OD1 ASN A 7 -17.586 -8.817 8.109 1.00 5.87 O ATOM 27 ND2 ASN A 7 -15.707 -7.668 8.549 1.00 6.34 N ATOM 0 H ASN A 7 -16.162 -10.811 5.079 1.00 4.48 H new ATOM 0 HA ASN A 7 -18.005 -8.891 5.907 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -15.317 -9.657 6.442 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -15.254 -7.950 6.051 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -16.030 -7.410 9.482 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -14.794 -7.355 8.220 1.00 6.34 H new ATOM 34 N ARG A 8 -17.200 -6.589 4.799 1.00 2.49 N ATOM 35 CA ARG A 8 -17.187 -5.434 3.910 1.00 2.11 C ATOM 36 C ARG A 8 -15.775 -4.879 3.770 1.00 1.69 C ATOM 37 O ARG A 8 -15.514 -3.726 4.110 1.00 2.38 O ATOM 38 CB ARG A 8 -18.117 -4.351 4.450 1.00 2.95 C ATOM 39 CG ARG A 8 -18.872 -3.648 3.326 1.00 3.61 C ATOM 40 CD ARG A 8 -19.599 -2.404 3.829 1.00 4.57 C ATOM 41 NE ARG A 8 -20.371 -2.717 5.027 1.00 5.39 N ATOM 42 CZ ARG A 8 -21.618 -3.173 4.954 1.00 6.19 C ATOM 43 NH1 ARG A 8 -22.635 -2.324 4.914 1.00 6.74 N ATOM 44 NH2 ARG A 8 -21.848 -4.478 4.924 1.00 6.68 N ATOM 0 H ARG A 8 -17.365 -6.363 5.780 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.535 -5.751 2.927 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -18.829 -4.796 5.145 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -17.537 -3.620 5.013 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.173 -3.368 2.538 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -19.592 -4.337 2.884 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -18.878 -1.617 4.049 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -20.261 -2.022 3.051 1.00 4.57 H new ATOM 0 HE ARG A 8 -19.943 -2.583 5.943 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -22.462 -1.319 4.939 1.00 6.74 H new ATOM 0 HH12 ARG A 8 -23.591 -2.676 4.858 1.00 6.74 H new ATOM 0 HH21 ARG A 8 -21.068 -5.134 4.957 1.00 6.68 H new ATOM 0 HH22 ARG A 8 -22.805 -4.826 4.868 1.00 6.68 H new ATOM 58 N MET A 9 -14.867 -5.707 3.264 1.00 1.18 N ATOM 59 CA MET A 9 -13.479 -5.299 3.075 1.00 0.82 C ATOM 60 C MET A 9 -12.881 -5.992 1.859 1.00 0.72 C ATOM 61 O MET A 9 -13.430 -6.974 1.359 1.00 0.97 O ATOM 62 CB MET A 9 -12.660 -5.635 4.318 1.00 1.08 C ATOM 63 CG MET A 9 -12.647 -7.134 4.596 1.00 1.61 C ATOM 64 SD MET A 9 -12.198 -7.518 6.296 1.00 2.27 S ATOM 65 CE MET A 9 -11.601 -9.205 6.115 1.00 2.82 C ATOM 0 H MET A 9 -15.067 -6.665 2.977 1.00 1.18 H new ATOM 0 HA MET A 9 -13.454 -4.222 2.911 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.638 -5.280 4.187 1.00 1.08 H new ATOM 0 HB3 MET A 9 -13.072 -5.109 5.179 1.00 1.08 H new ATOM 0 HG2 MET A 9 -13.632 -7.548 4.382 1.00 1.61 H new ATOM 0 HG3 MET A 9 -11.943 -7.619 3.920 1.00 1.61 H new ATOM 0 HE1 MET A 9 -11.284 -9.585 7.086 1.00 2.82 H new ATOM 0 HE2 MET A 9 -12.400 -9.834 5.722 1.00 2.82 H new ATOM 0 HE3 MET A 9 -10.756 -9.220 5.427 1.00 2.82 H new ATOM 75 N ASP A 10 -11.754 -5.475 1.384 1.00 0.49 N ATOM 76 CA ASP A 10 -11.078 -6.042 0.223 1.00 0.42 C ATOM 77 C ASP A 10 -9.574 -5.816 0.316 1.00 0.38 C ATOM 78 O ASP A 10 -9.116 -4.682 0.453 1.00 0.54 O ATOM 79 CB ASP A 10 -11.620 -5.409 -1.054 1.00 0.44 C ATOM 80 CG ASP A 10 -12.869 -6.146 -1.523 1.00 0.86 C ATOM 81 OD1 ASP A 10 -12.969 -7.366 -1.273 1.00 1.53 O ATOM 82 OD2 ASP A 10 -13.744 -5.503 -2.138 1.00 1.55 O ATOM 0 H ASP A 10 -11.288 -4.662 1.786 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.267 -7.115 0.201 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -11.854 -4.359 -0.876 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.859 -5.438 -1.833 1.00 0.44 H new ATOM 87 N TYR A 11 -8.809 -6.901 0.241 1.00 0.40 N ATOM 88 CA TYR A 11 -7.355 -6.817 0.315 1.00 0.37 C ATOM 89 C TYR A 11 -6.728 -7.158 -1.032 1.00 0.34 C ATOM 90 O TYR A 11 -7.385 -7.716 -1.911 1.00 0.38 O ATOM 91 CB TYR A 11 -6.829 -7.762 1.394 1.00 0.42 C ATOM 92 CG TYR A 11 -6.934 -9.219 1.016 1.00 0.48 C ATOM 93 CD1 TYR A 11 -5.894 -9.841 0.349 1.00 0.57 C ATOM 94 CD2 TYR A 11 -8.073 -9.938 1.332 1.00 0.54 C ATOM 95 CE1 TYR A 11 -5.990 -11.177 0.002 1.00 0.67 C ATOM 96 CE2 TYR A 11 -8.171 -11.274 0.985 1.00 0.63 C ATOM 97 CZ TYR A 11 -7.126 -11.888 0.325 1.00 0.67 C ATOM 98 OH TYR A 11 -7.226 -13.215 -0.024 1.00 0.78 O ATOM 0 H TYR A 11 -9.172 -7.848 0.129 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.081 -5.794 0.574 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.786 -7.522 1.600 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.384 -7.593 2.317 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -5.004 -9.282 0.098 1.00 0.57 H new ATOM 0 HD2 TYR A 11 -8.888 -9.455 1.851 1.00 0.54 H new ATOM 0 HE1 TYR A 11 -5.178 -11.661 -0.520 1.00 0.67 H new ATOM 0 HE2 TYR A 11 -9.062 -11.834 1.230 1.00 0.63 H new ATOM 0 HH TYR A 11 -8.089 -13.569 0.278 1.00 0.78 H new ATOM 108 N VAL A 12 -5.454 -6.817 -1.187 1.00 0.34 N ATOM 109 CA VAL A 12 -4.730 -7.082 -2.424 1.00 0.34 C ATOM 110 C VAL A 12 -3.238 -6.855 -2.222 1.00 0.35 C ATOM 111 O VAL A 12 -2.828 -5.876 -1.597 1.00 0.51 O ATOM 112 CB VAL A 12 -5.248 -6.172 -3.534 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.132 -4.706 -3.129 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.500 -6.431 -4.839 1.00 0.81 C ATOM 0 H VAL A 12 -4.899 -6.354 -0.467 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.891 -8.122 -2.709 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.302 -6.399 -3.695 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.507 -4.075 -3.935 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.719 -4.530 -2.228 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.087 -4.464 -2.935 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.886 -5.771 -5.616 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.437 -6.238 -4.694 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.642 -7.469 -5.140 1.00 0.81 H new ATOM 124 N GLU A 13 -2.427 -7.765 -2.751 1.00 0.49 N ATOM 125 CA GLU A 13 -0.977 -7.663 -2.623 1.00 0.54 C ATOM 126 C GLU A 13 -0.349 -7.224 -3.939 1.00 0.50 C ATOM 127 O GLU A 13 -0.595 -7.824 -4.986 1.00 0.60 O ATOM 128 CB GLU A 13 -0.398 -9.008 -2.197 1.00 0.67 C ATOM 129 CG GLU A 13 -1.038 -10.164 -2.963 1.00 1.05 C ATOM 130 CD GLU A 13 -0.318 -11.469 -2.652 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.065 -11.674 -1.481 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.138 -12.285 -3.581 1.00 2.05 O ATOM 0 H GLU A 13 -2.748 -8.581 -3.272 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.750 -6.914 -1.864 1.00 0.54 H new ATOM 0 HB2 GLU A 13 0.679 -9.011 -2.366 1.00 0.67 H new ATOM 0 HB3 GLU A 13 -0.553 -9.149 -1.127 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -2.091 -10.249 -2.693 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -0.998 -9.965 -4.034 1.00 1.05 H new ATOM 139 N ILE A 14 0.467 -6.177 -3.879 1.00 0.48 N ATOM 140 CA ILE A 14 1.138 -5.660 -5.065 1.00 0.49 C ATOM 141 C ILE A 14 2.614 -6.035 -5.044 1.00 0.48 C ATOM 142 O ILE A 14 3.302 -5.834 -4.041 1.00 0.43 O ATOM 143 CB ILE A 14 0.981 -4.142 -5.137 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.456 -3.486 -3.843 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.466 -3.761 -5.428 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.612 -1.977 -4.005 1.00 0.63 C ATOM 0 H ILE A 14 0.680 -5.670 -3.020 1.00 0.48 H new ATOM 0 HA ILE A 14 0.679 -6.104 -5.948 1.00 0.49 H new ATOM 0 HB ILE A 14 1.603 -3.777 -5.955 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.744 -3.695 -3.045 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.409 -3.921 -3.542 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.554 -2.676 -5.475 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.771 -4.191 -6.382 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.109 -4.143 -4.636 1.00 0.64 H new ATOM 0 HD11 ILE A 14 1.951 -1.543 -3.064 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.344 -1.769 -4.786 1.00 0.63 H new ATOM 0 HD13 ILE A 14 0.653 -1.540 -4.281 1.00 0.63 H new ATOM 158 N ASN A 15 3.097 -6.588 -6.151 1.00 0.59 N ATOM 159 CA ASN A 15 4.492 -6.998 -6.257 1.00 0.62 C ATOM 160 C ASN A 15 5.399 -5.782 -6.389 1.00 0.60 C ATOM 161 O ASN A 15 5.202 -4.939 -7.263 1.00 0.78 O ATOM 162 CB ASN A 15 4.674 -7.918 -7.461 1.00 0.79 C ATOM 163 CG ASN A 15 3.778 -9.143 -7.334 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.573 -9.072 -7.579 1.00 2.20 O ATOM 165 ND2 ASN A 15 4.367 -10.270 -6.950 1.00 1.54 N ATOM 0 H ASN A 15 2.542 -6.763 -6.989 1.00 0.59 H new ATOM 0 HA ASN A 15 4.765 -7.537 -5.350 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.436 -7.379 -8.378 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.716 -8.228 -7.535 1.00 0.79 H new ATOM 0 HD21 ASN A 15 3.818 -11.123 -6.847 1.00 1.54 H new ATOM 0 HD22 ASN A 15 5.369 -10.282 -6.758 1.00 1.54 H new ATOM 172 N ILE A 16 6.395 -5.696 -5.512 1.00 0.49 N ATOM 173 CA ILE A 16 7.336 -4.582 -5.525 1.00 0.49 C ATOM 174 C ILE A 16 8.771 -5.094 -5.477 1.00 0.56 C ATOM 175 O ILE A 16 9.013 -6.256 -5.149 1.00 0.66 O ATOM 176 CB ILE A 16 7.067 -3.665 -4.336 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.575 -3.363 -4.222 1.00 0.63 C ATOM 178 CG2 ILE A 16 7.867 -2.372 -4.452 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.076 -2.538 -5.406 1.00 0.84 C ATOM 0 H ILE A 16 6.571 -6.386 -4.782 1.00 0.49 H new ATOM 0 HA ILE A 16 7.201 -4.020 -6.449 1.00 0.49 H new ATOM 0 HB ILE A 16 7.387 -4.181 -3.431 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.017 -4.298 -4.168 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.382 -2.823 -3.295 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.657 -1.736 -3.592 1.00 0.58 H new ATOM 0 HG22 ILE A 16 8.932 -2.604 -4.481 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.585 -1.850 -5.367 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.010 -2.343 -5.290 1.00 0.84 H new ATOM 0 HD12 ILE A 16 5.616 -1.592 -5.444 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.245 -3.090 -6.331 1.00 0.84 H new ATOM 191 N ASP A 17 9.720 -4.224 -5.810 1.00 0.63 N ATOM 192 CA ASP A 17 11.132 -4.594 -5.808 1.00 0.75 C ATOM 193 C ASP A 17 11.998 -3.431 -5.343 1.00 1.00 C ATOM 194 O ASP A 17 12.542 -3.453 -4.239 1.00 1.75 O ATOM 195 CB ASP A 17 11.557 -5.018 -7.209 1.00 1.27 C ATOM 196 CG ASP A 17 11.124 -6.453 -7.482 1.00 1.63 C ATOM 197 OD1 ASP A 17 10.824 -7.180 -6.513 1.00 2.21 O ATOM 198 OD2 ASP A 17 11.086 -6.847 -8.668 1.00 2.16 O ATOM 0 H ASP A 17 9.537 -3.259 -6.084 1.00 0.63 H new ATOM 0 HA ASP A 17 11.267 -5.425 -5.116 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.114 -4.351 -7.948 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.639 -4.932 -7.310 1.00 1.27 H new ATOM 203 N HIS A 18 12.127 -2.418 -6.196 1.00 1.27 N ATOM 204 CA HIS A 18 12.934 -1.239 -5.882 1.00 1.85 C ATOM 205 C HIS A 18 12.631 -0.730 -4.477 1.00 1.32 C ATOM 206 O HIS A 18 11.710 -1.213 -3.818 1.00 2.00 O ATOM 207 CB HIS A 18 12.658 -0.137 -6.903 1.00 2.83 C ATOM 208 CG HIS A 18 13.887 0.298 -7.641 1.00 3.48 C ATOM 209 ND1 HIS A 18 14.251 -0.211 -8.861 1.00 4.01 N ATOM 210 CD2 HIS A 18 14.851 1.205 -7.340 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.362 0.339 -9.289 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.761 1.215 -8.381 1.00 4.84 N ATOM 0 H HIS A 18 11.682 -2.389 -7.113 1.00 1.27 H new ATOM 0 HA HIS A 18 13.986 -1.521 -5.925 1.00 1.85 H new ATOM 0 HB2 HIS A 18 11.917 -0.491 -7.620 1.00 2.83 H new ATOM 0 HB3 HIS A 18 12.224 0.723 -6.393 1.00 2.83 H new ATOM 0 HD2 HIS A 18 14.899 1.811 -6.447 1.00 4.16 H new ATOM 0 HE1 HIS A 18 15.863 0.116 -10.219 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.596 1.798 -8.439 1.00 4.84 H new ATOM 220 N LYS A 19 13.412 0.245 -4.024 1.00 0.82 N ATOM 221 CA LYS A 19 13.229 0.821 -2.697 1.00 0.84 C ATOM 222 C LYS A 19 11.907 1.574 -2.622 1.00 0.77 C ATOM 223 O LYS A 19 11.887 2.801 -2.543 1.00 1.13 O ATOM 224 CB LYS A 19 14.381 1.767 -2.375 1.00 1.47 C ATOM 225 CG LYS A 19 15.627 1.010 -1.926 1.00 1.97 C ATOM 226 CD LYS A 19 16.904 1.702 -2.394 1.00 2.72 C ATOM 227 CE LYS A 19 18.102 1.314 -1.533 1.00 3.37 C ATOM 228 NZ LYS A 19 18.946 0.290 -2.209 1.00 4.03 N ATOM 0 H LYS A 19 14.179 0.653 -4.558 1.00 0.82 H new ATOM 0 HA LYS A 19 13.214 0.012 -1.967 1.00 0.84 H new ATOM 0 HB2 LYS A 19 14.617 2.365 -3.255 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.074 2.460 -1.591 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.633 0.930 -0.839 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.598 -0.006 -2.320 1.00 1.97 H new ATOM 0 HD2 LYS A 19 17.101 1.438 -3.433 1.00 2.72 H new ATOM 0 HD3 LYS A 19 16.766 2.783 -2.360 1.00 2.72 H new ATOM 0 HE2 LYS A 19 18.701 2.199 -1.320 1.00 3.37 H new ATOM 0 HE3 LYS A 19 17.754 0.927 -0.575 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 19.752 0.047 -1.599 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 18.379 -0.563 -2.390 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 19.297 0.670 -3.111 1.00 4.03 H new ATOM 242 N PHE A 20 10.804 0.832 -2.653 1.00 0.63 N ATOM 243 CA PHE A 20 9.473 1.429 -2.594 1.00 0.61 C ATOM 244 C PHE A 20 9.076 1.728 -1.154 1.00 0.62 C ATOM 245 O PHE A 20 8.744 2.863 -0.814 1.00 0.95 O ATOM 246 CB PHE A 20 8.452 0.484 -3.218 1.00 0.62 C ATOM 247 CG PHE A 20 8.099 0.845 -4.638 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.101 1.071 -5.567 1.00 1.08 C ATOM 249 CD2 PHE A 20 6.772 0.957 -5.019 1.00 0.96 C ATOM 250 CE1 PHE A 20 8.779 1.405 -6.870 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.449 1.291 -6.323 1.00 1.17 C ATOM 252 CZ PHE A 20 7.443 1.503 -7.249 1.00 1.19 C ATOM 0 H PHE A 20 10.805 -0.186 -2.719 1.00 0.63 H new ATOM 0 HA PHE A 20 9.494 2.365 -3.152 1.00 0.61 H new ATOM 0 HB2 PHE A 20 8.846 -0.532 -3.195 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.545 0.488 -2.613 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.137 0.986 -5.273 1.00 1.08 H new ATOM 0 HD2 PHE A 20 5.988 0.783 -4.297 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.562 1.589 -7.591 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.413 1.385 -6.614 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.187 1.745 -8.270 1.00 1.19 H new ATOM 262 N HIS A 21 9.108 0.700 -0.310 1.00 0.53 N ATOM 263 CA HIS A 21 8.745 0.848 1.096 1.00 0.57 C ATOM 264 C HIS A 21 9.468 2.033 1.716 1.00 0.69 C ATOM 265 O HIS A 21 8.839 2.985 2.178 1.00 1.03 O ATOM 266 CB HIS A 21 9.095 -0.421 1.866 1.00 0.54 C ATOM 267 CG HIS A 21 8.386 -1.638 1.354 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.184 -2.764 2.109 1.00 0.48 N ATOM 269 CD2 HIS A 21 7.810 -1.915 0.153 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.528 -3.676 1.431 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.281 -3.191 0.224 1.00 0.42 N ATOM 0 H HIS A 21 9.382 -0.246 -0.576 1.00 0.53 H new ATOM 0 HA HIS A 21 7.670 1.022 1.153 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.171 -0.586 1.812 1.00 0.54 H new ATOM 0 HB3 HIS A 21 8.847 -0.280 2.918 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.502 -2.878 3.071 1.00 0.48 H new ATOM 0 HD2 HIS A 21 7.773 -1.257 -0.702 1.00 0.44 H new ATOM 0 HE1 HIS A 21 7.240 -4.652 1.794 1.00 0.45 H new ATOM 279 N ARG A 22 10.795 1.970 1.725 1.00 0.68 N ATOM 280 CA ARG A 22 11.608 3.037 2.290 1.00 0.80 C ATOM 281 C ARG A 22 11.188 4.385 1.718 1.00 0.81 C ATOM 282 O ARG A 22 11.305 5.418 2.378 1.00 0.92 O ATOM 283 CB ARG A 22 13.084 2.786 1.992 1.00 0.93 C ATOM 284 CG ARG A 22 13.490 1.354 2.323 1.00 1.64 C ATOM 285 CD ARG A 22 14.969 1.260 2.686 1.00 2.14 C ATOM 286 NE ARG A 22 15.128 1.045 4.120 1.00 2.73 N ATOM 287 CZ ARG A 22 15.975 1.769 4.844 1.00 3.33 C ATOM 288 NH1 ARG A 22 15.614 2.962 5.293 1.00 3.95 N ATOM 289 NH2 ARG A 22 17.182 1.297 5.124 1.00 3.72 N ATOM 0 H ARG A 22 11.330 1.189 1.346 1.00 0.68 H new ATOM 0 HA ARG A 22 11.459 3.051 3.370 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.282 2.986 0.939 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.695 3.480 2.569 1.00 0.93 H new ATOM 0 HG2 ARG A 22 12.887 0.987 3.153 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.283 0.710 1.469 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.434 0.442 2.135 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.482 2.175 2.390 1.00 2.14 H new ATOM 0 HE ARG A 22 14.575 0.321 4.578 1.00 2.73 H new ATOM 0 HH11 ARG A 22 14.685 3.326 5.083 1.00 3.95 H new ATOM 0 HH12 ARG A 22 16.265 3.516 5.849 1.00 3.95 H new ATOM 0 HH21 ARG A 22 17.461 0.377 4.784 1.00 3.72 H new ATOM 0 HH22 ARG A 22 17.831 1.854 5.680 1.00 3.72 H new ATOM 303 N HIS A 23 10.693 4.362 0.485 1.00 0.90 N ATOM 304 CA HIS A 23 10.246 5.575 -0.191 1.00 0.98 C ATOM 305 C HIS A 23 8.842 5.946 0.261 1.00 0.96 C ATOM 306 O HIS A 23 8.499 7.125 0.354 1.00 1.12 O ATOM 307 CB HIS A 23 10.264 5.360 -1.702 1.00 1.02 C ATOM 308 CG HIS A 23 11.283 6.197 -2.404 1.00 1.30 C ATOM 309 ND1 HIS A 23 11.028 7.455 -2.883 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.578 5.958 -2.721 1.00 1.56 C ATOM 311 CE1 HIS A 23 12.091 7.963 -3.460 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.065 7.071 -3.379 1.00 1.86 N ATOM 0 H HIS A 23 10.591 3.512 -0.069 1.00 0.90 H new ATOM 0 HA HIS A 23 10.923 6.390 0.066 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.461 4.308 -1.910 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.277 5.586 -2.106 1.00 1.02 H new ATOM 0 HD2 HIS A 23 13.131 5.058 -2.499 1.00 1.56 H new ATOM 0 HE1 HIS A 23 12.159 8.938 -3.920 1.00 2.07 H new ATOM 0 HE2 HIS A 23 14.012 7.185 -3.740 1.00 1.86 H new ATOM 320 N LEU A 24 8.031 4.932 0.536 1.00 0.86 N ATOM 321 CA LEU A 24 6.659 5.143 0.975 1.00 0.87 C ATOM 322 C LEU A 24 6.611 5.445 2.466 1.00 0.97 C ATOM 323 O LEU A 24 6.129 6.499 2.879 1.00 1.16 O ATOM 324 CB LEU A 24 5.822 3.904 0.671 1.00 0.73 C ATOM 325 CG LEU A 24 5.679 3.684 -0.832 1.00 0.76 C ATOM 326 CD1 LEU A 24 5.759 2.197 -1.169 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.375 4.286 -1.342 1.00 1.25 C ATOM 0 H LEU A 24 8.302 3.951 0.462 1.00 0.86 H new ATOM 0 HA LEU A 24 6.251 5.998 0.435 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.286 3.029 1.126 1.00 0.73 H new ATOM 0 HB3 LEU A 24 4.835 4.011 1.120 1.00 0.73 H new ATOM 0 HG LEU A 24 6.505 4.190 -1.332 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.655 2.062 -2.246 1.00 0.72 H new ATOM 0 HD12 LEU A 24 6.722 1.802 -0.845 1.00 0.72 H new ATOM 0 HD13 LEU A 24 4.958 1.664 -0.657 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.292 4.118 -2.416 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.533 3.814 -0.835 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.365 5.357 -1.140 1.00 1.25 H new ATOM 339 N ILE A 25 7.111 4.514 3.273 1.00 0.92 N ATOM 340 CA ILE A 25 7.119 4.686 4.720 1.00 1.10 C ATOM 341 C ILE A 25 7.848 5.969 5.106 1.00 1.41 C ATOM 342 O ILE A 25 7.588 6.550 6.159 1.00 1.91 O ATOM 343 CB ILE A 25 7.771 3.478 5.395 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.262 3.398 5.080 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.077 2.183 4.990 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.051 2.958 6.307 1.00 0.91 C ATOM 0 H ILE A 25 7.515 3.635 2.949 1.00 0.92 H new ATOM 0 HA ILE A 25 6.087 4.762 5.063 1.00 1.10 H new ATOM 0 HB ILE A 25 7.659 3.610 6.471 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.429 2.695 4.264 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.620 4.370 4.742 1.00 0.90 H new ATOM 0 HG21 ILE A 25 7.561 1.341 5.484 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.029 2.224 5.286 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.144 2.057 3.909 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.111 2.908 6.059 1.00 0.91 H new ATOM 0 HD12 ILE A 25 9.900 3.676 7.113 1.00 0.91 H new ATOM 0 HD13 ILE A 25 9.707 1.975 6.628 1.00 0.91 H new ATOM 358 N GLY A 26 8.759 6.409 4.244 1.00 1.49 N ATOM 359 CA GLY A 26 9.526 7.625 4.490 1.00 1.87 C ATOM 360 C GLY A 26 10.239 7.563 5.835 1.00 1.82 C ATOM 361 O GLY A 26 11.000 6.632 6.103 1.00 2.29 O ATOM 0 H GLY A 26 8.984 5.940 3.367 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.257 7.764 3.694 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.861 8.489 4.467 1.00 1.87 H new ATOM 365 N LYS A 27 9.989 8.560 6.677 1.00 1.86 N ATOM 366 CA LYS A 27 10.609 8.622 7.996 1.00 1.91 C ATOM 367 C LYS A 27 9.893 7.697 8.971 1.00 1.62 C ATOM 368 O LYS A 27 8.946 8.101 9.646 1.00 2.38 O ATOM 369 CB LYS A 27 10.571 10.056 8.521 1.00 2.21 C ATOM 370 CG LYS A 27 11.945 10.717 8.449 1.00 2.65 C ATOM 371 CD LYS A 27 11.852 12.152 7.939 1.00 3.30 C ATOM 372 CE LYS A 27 11.422 13.113 9.044 1.00 3.80 C ATOM 373 NZ LYS A 27 10.483 14.149 8.526 1.00 4.51 N ATOM 0 H LYS A 27 9.361 9.337 6.470 1.00 1.86 H new ATOM 0 HA LYS A 27 11.645 8.297 7.906 1.00 1.91 H new ATOM 0 HB2 LYS A 27 9.856 10.638 7.940 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.220 10.057 9.553 1.00 2.21 H new ATOM 0 HG2 LYS A 27 12.405 10.711 9.437 1.00 2.65 H new ATOM 0 HG3 LYS A 27 12.594 10.138 7.792 1.00 2.65 H new ATOM 0 HD2 LYS A 27 12.819 12.461 7.543 1.00 3.30 H new ATOM 0 HD3 LYS A 27 11.139 12.201 7.116 1.00 3.30 H new ATOM 0 HE2 LYS A 27 10.943 12.555 9.848 1.00 3.80 H new ATOM 0 HE3 LYS A 27 12.301 13.596 9.471 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 10.209 14.787 9.300 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 10.950 14.696 7.775 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 9.634 13.687 8.141 1.00 4.51 H new ATOM 387 N SER A 28 10.353 6.452 9.042 1.00 1.28 N ATOM 388 CA SER A 28 9.760 5.463 9.935 1.00 1.60 C ATOM 389 C SER A 28 8.258 5.359 9.700 1.00 1.60 C ATOM 390 O SER A 28 7.468 5.425 10.641 1.00 2.28 O ATOM 391 CB SER A 28 10.031 5.843 11.387 1.00 1.99 C ATOM 392 OG SER A 28 9.148 6.878 11.800 1.00 2.57 O ATOM 0 H SER A 28 11.137 6.103 8.490 1.00 1.28 H new ATOM 0 HA SER A 28 10.213 4.494 9.726 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.904 4.970 12.028 1.00 1.99 H new ATOM 0 HB3 SER A 28 11.064 6.172 11.497 1.00 1.99 H new ATOM 0 HG SER A 28 9.363 7.703 11.317 1.00 2.57 H new ATOM 398 N GLY A 29 7.869 5.193 8.441 1.00 1.21 N ATOM 399 CA GLY A 29 6.460 5.076 8.084 1.00 1.23 C ATOM 400 C GLY A 29 5.701 6.352 8.418 1.00 1.36 C ATOM 401 O GLY A 29 5.873 6.927 9.494 1.00 2.05 O ATOM 0 H GLY A 29 8.510 5.136 7.650 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.368 4.863 7.019 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.016 4.235 8.617 1.00 1.23 H new ATOM 405 N ALA A 30 4.861 6.791 7.485 1.00 1.00 N ATOM 406 CA ALA A 30 4.071 8.003 7.671 1.00 1.10 C ATOM 407 C ALA A 30 3.079 8.173 6.528 1.00 1.06 C ATOM 408 O ALA A 30 1.919 8.524 6.747 1.00 1.43 O ATOM 409 CB ALA A 30 4.992 9.218 7.741 1.00 1.27 C ATOM 0 H ALA A 30 4.710 6.324 6.591 1.00 1.00 H new ATOM 0 HA ALA A 30 3.517 7.917 8.606 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.395 10.119 7.880 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.680 9.105 8.579 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.560 9.298 6.814 1.00 1.27 H new ATOM 415 N ASN A 31 3.542 7.924 5.307 1.00 0.73 N ATOM 416 CA ASN A 31 2.697 8.052 4.124 1.00 0.69 C ATOM 417 C ASN A 31 1.392 7.291 4.310 1.00 0.60 C ATOM 418 O ASN A 31 0.349 7.692 3.791 1.00 0.58 O ATOM 419 CB ASN A 31 3.435 7.521 2.899 1.00 0.71 C ATOM 420 CG ASN A 31 4.423 8.561 2.384 1.00 1.24 C ATOM 421 OD1 ASN A 31 5.048 9.279 3.166 1.00 1.91 O ATOM 422 ND2 ASN A 31 4.565 8.643 1.068 1.00 1.42 N ATOM 0 H ASN A 31 4.499 7.632 5.110 1.00 0.73 H new ATOM 0 HA ASN A 31 2.465 9.107 3.978 1.00 0.69 H new ATOM 0 HB2 ASN A 31 3.964 6.603 3.154 1.00 0.71 H new ATOM 0 HB3 ASN A 31 2.720 7.270 2.116 1.00 0.71 H new ATOM 0 HD21 ASN A 31 5.213 9.321 0.666 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.027 8.028 0.458 1.00 1.42 H new ATOM 429 N ILE A 32 1.452 6.191 5.055 1.00 0.58 N ATOM 430 CA ILE A 32 0.271 5.371 5.311 1.00 0.56 C ATOM 431 C ILE A 32 -0.889 6.236 5.781 1.00 0.52 C ATOM 432 O ILE A 32 -2.031 6.043 5.363 1.00 0.51 O ATOM 433 CB ILE A 32 0.588 4.317 6.363 1.00 0.63 C ATOM 434 CG1 ILE A 32 1.092 4.972 7.645 1.00 0.70 C ATOM 435 CG2 ILE A 32 1.611 3.316 5.834 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.483 3.930 8.688 1.00 1.07 C ATOM 0 H ILE A 32 2.306 5.846 5.493 1.00 0.58 H new ATOM 0 HA ILE A 32 -0.016 4.878 4.382 1.00 0.56 H new ATOM 0 HB ILE A 32 -0.331 3.777 6.592 1.00 0.63 H new ATOM 0 HG12 ILE A 32 1.952 5.603 7.419 1.00 0.70 H new ATOM 0 HG13 ILE A 32 0.318 5.623 8.051 1.00 0.70 H new ATOM 0 HG21 ILE A 32 1.823 2.572 6.602 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.211 2.821 4.949 1.00 0.69 H new ATOM 0 HG23 ILE A 32 2.531 3.839 5.572 1.00 0.69 H new ATOM 0 HD11 ILE A 32 1.838 4.432 9.588 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.616 3.316 8.932 1.00 1.07 H new ATOM 0 HD13 ILE A 32 2.275 3.296 8.290 1.00 1.07 H new ATOM 448 N ASN A 33 -0.589 7.196 6.649 1.00 0.56 N ATOM 449 CA ASN A 33 -1.606 8.097 7.173 1.00 0.59 C ATOM 450 C ASN A 33 -2.167 8.962 6.053 1.00 0.54 C ATOM 451 O ASN A 33 -3.343 9.325 6.064 1.00 0.55 O ATOM 452 CB ASN A 33 -1.009 8.981 8.264 1.00 0.71 C ATOM 453 CG ASN A 33 -1.997 9.144 9.412 1.00 0.97 C ATOM 454 OD1 ASN A 33 -3.076 9.708 9.239 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.626 8.648 10.586 1.00 1.62 N ATOM 0 H ASN A 33 0.351 7.369 7.004 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.415 7.504 7.600 1.00 0.59 H new ATOM 0 HB2 ASN A 33 -0.083 8.540 8.632 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -0.755 9.958 7.852 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -2.246 8.727 11.392 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.721 8.188 10.682 1.00 1.62 H new ATOM 462 N ARG A 34 -1.317 9.285 5.083 1.00 0.55 N ATOM 463 CA ARG A 34 -1.728 10.103 3.949 1.00 0.56 C ATOM 464 C ARG A 34 -2.746 9.351 3.102 1.00 0.48 C ATOM 465 O ARG A 34 -3.917 9.724 3.048 1.00 0.48 O ATOM 466 CB ARG A 34 -0.513 10.471 3.101 1.00 0.65 C ATOM 467 CG ARG A 34 -0.296 11.981 3.060 1.00 0.89 C ATOM 468 CD ARG A 34 0.682 12.439 4.139 1.00 1.22 C ATOM 469 NE ARG A 34 2.057 12.232 3.700 1.00 1.69 N ATOM 470 CZ ARG A 34 2.854 13.253 3.395 1.00 2.27 C ATOM 471 NH1 ARG A 34 3.200 14.129 4.328 1.00 2.90 N ATOM 472 NH2 ARG A 34 3.302 13.399 2.155 1.00 2.78 N ATOM 0 H ARG A 34 -0.340 8.993 5.060 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.188 11.017 4.324 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.375 9.986 3.506 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.648 10.094 2.087 1.00 0.65 H new ATOM 0 HG2 ARG A 34 0.083 12.268 2.079 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.251 12.490 3.194 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.520 13.494 4.362 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.501 11.887 5.061 1.00 1.22 H new ATOM 0 HE ARG A 34 2.417 11.281 3.625 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.855 14.021 5.282 1.00 2.90 H new ATOM 0 HH12 ARG A 34 3.811 14.911 4.092 1.00 2.90 H new ATOM 0 HH21 ARG A 34 3.036 12.728 1.434 1.00 2.78 H new ATOM 0 HH22 ARG A 34 3.913 14.182 1.922 1.00 2.78 H new ATOM 486 N ILE A 35 -2.296 8.285 2.446 1.00 0.45 N ATOM 487 CA ILE A 35 -3.174 7.475 1.609 1.00 0.40 C ATOM 488 C ILE A 35 -4.399 7.039 2.407 1.00 0.34 C ATOM 489 O ILE A 35 -5.535 7.258 1.988 1.00 0.34 O ATOM 490 CB ILE A 35 -2.417 6.256 1.077 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.283 6.694 0.153 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.354 5.297 0.345 1.00 0.40 C ATOM 493 CD1 ILE A 35 0.027 6.875 0.913 1.00 1.29 C ATOM 0 H ILE A 35 -1.329 7.963 2.478 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.507 8.072 0.760 1.00 0.40 H new ATOM 0 HB ILE A 35 -1.993 5.728 1.931 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.148 5.952 -0.634 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.553 7.630 -0.335 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.786 4.442 -0.021 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.129 4.952 1.030 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.817 5.812 -0.497 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.809 7.187 0.221 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.101 7.636 1.683 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.310 5.931 1.379 1.00 1.29 H new ATOM 505 N LYS A 36 -4.159 6.430 3.567 1.00 0.35 N ATOM 506 CA LYS A 36 -5.238 5.970 4.437 1.00 0.36 C ATOM 507 C LYS A 36 -6.286 7.064 4.611 1.00 0.39 C ATOM 508 O LYS A 36 -7.448 6.885 4.255 1.00 0.51 O ATOM 509 CB LYS A 36 -4.671 5.569 5.797 1.00 0.44 C ATOM 510 CG LYS A 36 -5.777 5.250 6.799 1.00 1.09 C ATOM 511 CD LYS A 36 -5.258 4.428 7.975 1.00 1.41 C ATOM 512 CE LYS A 36 -5.472 5.152 9.301 1.00 2.17 C ATOM 513 NZ LYS A 36 -5.731 4.189 10.408 1.00 2.76 N ATOM 0 H LYS A 36 -3.223 6.244 3.926 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.714 5.104 3.977 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.025 4.699 5.679 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -4.051 6.377 6.185 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -6.211 6.179 7.169 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -6.575 4.703 6.297 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -5.767 3.464 7.999 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -4.196 4.225 7.838 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -4.593 5.752 9.536 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -6.313 5.840 9.211 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -5.872 4.711 11.296 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -6.584 3.634 10.193 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -4.918 3.549 10.509 1.00 2.76 H new ATOM 527 N ASP A 37 -5.866 8.195 5.158 1.00 0.40 N ATOM 528 CA ASP A 37 -6.772 9.316 5.376 1.00 0.45 C ATOM 529 C ASP A 37 -7.302 9.852 4.047 1.00 0.44 C ATOM 530 O ASP A 37 -8.297 10.575 4.014 1.00 0.60 O ATOM 531 CB ASP A 37 -6.054 10.429 6.132 1.00 0.51 C ATOM 532 CG ASP A 37 -7.035 11.529 6.513 1.00 0.82 C ATOM 533 OD1 ASP A 37 -7.695 11.399 7.567 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.145 12.517 5.758 1.00 1.56 O ATOM 0 H ASP A 37 -4.906 8.362 5.459 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.616 8.963 5.969 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.585 10.024 7.029 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -5.257 10.842 5.514 1.00 0.51 H new ATOM 539 N GLN A 38 -6.630 9.499 2.952 1.00 0.41 N ATOM 540 CA GLN A 38 -7.028 9.949 1.624 1.00 0.46 C ATOM 541 C GLN A 38 -8.073 9.017 1.020 1.00 0.42 C ATOM 542 O GLN A 38 -9.217 9.413 0.800 1.00 0.68 O ATOM 543 CB GLN A 38 -5.805 10.010 0.720 1.00 0.54 C ATOM 544 CG GLN A 38 -6.058 10.877 -0.504 1.00 0.65 C ATOM 545 CD GLN A 38 -5.110 12.069 -0.516 1.00 1.05 C ATOM 546 OE1 GLN A 38 -4.042 12.032 0.095 1.00 1.65 O ATOM 547 NE2 GLN A 38 -5.499 13.129 -1.214 1.00 1.66 N ATOM 0 H GLN A 38 -5.804 8.900 2.962 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.469 10.942 1.713 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.958 10.407 1.279 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.535 9.003 0.404 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.921 10.287 -1.410 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -7.091 11.226 -0.503 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -6.393 13.116 -1.705 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -4.904 13.956 -1.259 1.00 1.66 H new ATOM 556 N TYR A 39 -7.669 7.781 0.741 1.00 0.34 N ATOM 557 CA TYR A 39 -8.572 6.796 0.148 1.00 0.34 C ATOM 558 C TYR A 39 -9.255 5.943 1.214 1.00 0.30 C ATOM 559 O TYR A 39 -9.864 4.923 0.894 1.00 0.32 O ATOM 560 CB TYR A 39 -7.801 5.896 -0.815 1.00 0.39 C ATOM 561 CG TYR A 39 -7.108 6.666 -1.912 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.967 7.399 -1.638 1.00 0.53 C ATOM 563 CD2 TYR A 39 -7.608 6.635 -3.200 1.00 0.64 C ATOM 564 CE1 TYR A 39 -5.331 8.098 -2.650 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.973 7.330 -4.211 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.841 8.096 -3.909 1.00 0.66 C ATOM 567 OH TYR A 39 -5.203 8.752 -4.938 1.00 0.77 O ATOM 0 H TYR A 39 -6.725 7.437 0.915 1.00 0.34 H new ATOM 0 HA TYR A 39 -9.346 7.340 -0.394 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -7.060 5.324 -0.256 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -8.488 5.177 -1.261 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.572 7.426 -0.633 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -8.499 6.065 -3.417 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -4.426 8.647 -2.437 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -7.346 7.283 -5.223 1.00 0.73 H new ATOM 0 HH TYR A 39 -5.715 8.639 -5.766 1.00 0.77 H new ATOM 577 N LYS A 40 -9.157 6.350 2.481 1.00 0.28 N ATOM 578 CA LYS A 40 -9.774 5.596 3.574 1.00 0.31 C ATOM 579 C LYS A 40 -9.417 4.120 3.454 1.00 0.29 C ATOM 580 O LYS A 40 -10.285 3.250 3.531 1.00 0.39 O ATOM 581 CB LYS A 40 -11.289 5.768 3.536 1.00 0.38 C ATOM 582 CG LYS A 40 -11.695 7.227 3.731 1.00 0.86 C ATOM 583 CD LYS A 40 -13.118 7.483 3.242 1.00 1.29 C ATOM 584 CE LYS A 40 -13.951 8.214 4.291 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.262 7.330 5.448 1.00 2.56 N ATOM 0 H LYS A 40 -8.660 7.191 2.774 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.397 5.977 4.523 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.673 5.408 2.582 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -11.745 5.156 4.314 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -11.620 7.489 4.786 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.002 7.873 3.192 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.088 8.072 2.326 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.594 6.534 2.995 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -13.411 9.095 4.638 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -14.879 8.567 3.840 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -14.939 7.807 6.077 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -14.677 6.441 5.104 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -13.388 7.124 5.972 1.00 2.56 H new ATOM 599 N VAL A 41 -8.135 3.850 3.239 1.00 0.23 N ATOM 600 CA VAL A 41 -7.653 2.485 3.076 1.00 0.23 C ATOM 601 C VAL A 41 -6.655 2.112 4.163 1.00 0.27 C ATOM 602 O VAL A 41 -6.389 2.895 5.075 1.00 0.33 O ATOM 603 CB VAL A 41 -6.999 2.352 1.707 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.056 2.338 0.613 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.007 3.488 1.474 1.00 0.23 C ATOM 0 H VAL A 41 -7.408 4.562 3.173 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.501 1.805 3.158 1.00 0.23 H new ATOM 0 HB VAL A 41 -6.455 1.408 1.676 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -7.572 2.242 -0.359 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -8.729 1.495 0.768 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.625 3.267 0.645 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.550 3.376 0.491 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.529 4.443 1.525 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.232 3.457 2.240 1.00 0.23 H new ATOM 615 N SER A 42 -6.103 0.907 4.054 1.00 0.29 N ATOM 616 CA SER A 42 -5.130 0.414 5.019 1.00 0.34 C ATOM 617 C SER A 42 -3.875 -0.069 4.303 1.00 0.30 C ATOM 618 O SER A 42 -3.750 -1.251 3.978 1.00 0.36 O ATOM 619 CB SER A 42 -5.731 -0.726 5.834 1.00 0.43 C ATOM 620 OG SER A 42 -5.269 -0.670 7.176 1.00 0.93 O ATOM 0 H SER A 42 -6.316 0.252 3.302 1.00 0.29 H new ATOM 0 HA SER A 42 -4.862 1.230 5.691 1.00 0.34 H new ATOM 0 HB2 SER A 42 -6.819 -0.662 5.814 1.00 0.43 H new ATOM 0 HB3 SER A 42 -5.460 -1.683 5.388 1.00 0.43 H new ATOM 0 HG SER A 42 -5.664 -1.406 7.689 1.00 0.93 H new ATOM 626 N VAL A 43 -2.950 0.852 4.060 1.00 0.33 N ATOM 627 CA VAL A 43 -1.702 0.523 3.384 1.00 0.34 C ATOM 628 C VAL A 43 -0.709 -0.064 4.377 1.00 0.35 C ATOM 629 O VAL A 43 -0.199 0.638 5.250 1.00 0.55 O ATOM 630 CB VAL A 43 -1.119 1.774 2.731 1.00 0.49 C ATOM 631 CG1 VAL A 43 0.232 1.472 2.088 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.090 2.347 1.701 1.00 1.25 C ATOM 0 H VAL A 43 -3.041 1.834 4.322 1.00 0.33 H new ATOM 0 HA VAL A 43 -1.902 -0.218 2.610 1.00 0.34 H new ATOM 0 HB VAL A 43 -0.965 2.522 3.509 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.627 2.378 1.629 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.927 1.118 2.850 1.00 0.54 H new ATOM 0 HG13 VAL A 43 0.108 0.704 1.325 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -1.655 3.238 1.247 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.281 1.603 0.928 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.027 2.610 2.191 1.00 1.25 H new ATOM 642 N ARG A 44 -0.447 -1.361 4.247 1.00 0.31 N ATOM 643 CA ARG A 44 0.475 -2.049 5.142 1.00 0.42 C ATOM 644 C ARG A 44 1.763 -2.414 4.415 1.00 0.40 C ATOM 645 O ARG A 44 1.776 -3.299 3.560 1.00 0.41 O ATOM 646 CB ARG A 44 -0.184 -3.309 5.696 1.00 0.52 C ATOM 647 CG ARG A 44 -1.635 -3.056 6.098 1.00 0.78 C ATOM 648 CD ARG A 44 -1.864 -3.325 7.582 1.00 1.05 C ATOM 649 NE ARG A 44 -1.997 -4.757 7.826 1.00 1.31 N ATOM 650 CZ ARG A 44 -1.318 -5.366 8.792 1.00 1.74 C ATOM 651 NH1 ARG A 44 -1.471 -4.989 10.054 1.00 2.27 N ATOM 652 NH2 ARG A 44 -0.485 -6.355 8.496 1.00 2.28 N ATOM 0 H ARG A 44 -0.861 -1.956 3.530 1.00 0.31 H new ATOM 0 HA ARG A 44 0.722 -1.379 5.965 1.00 0.42 H new ATOM 0 HB2 ARG A 44 -0.146 -4.099 4.946 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.377 -3.663 6.561 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.901 -2.024 5.870 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -2.293 -3.693 5.507 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -1.032 -2.927 8.163 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.763 -2.808 7.917 1.00 1.05 H new ATOM 0 HE ARG A 44 -2.627 -5.305 7.240 1.00 1.31 H new ATOM 0 HH11 ARG A 44 -2.111 -4.230 10.285 1.00 2.27 H new ATOM 0 HH12 ARG A 44 -0.948 -5.458 10.793 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -0.366 -6.648 7.526 1.00 2.28 H new ATOM 0 HH22 ARG A 44 0.036 -6.822 9.238 1.00 2.28 H new ATOM 666 N ILE A 45 2.847 -1.731 4.767 1.00 0.46 N ATOM 667 CA ILE A 45 4.146 -1.984 4.156 1.00 0.47 C ATOM 668 C ILE A 45 4.902 -3.048 4.955 1.00 0.53 C ATOM 669 O ILE A 45 5.332 -2.796 6.080 1.00 0.64 O ATOM 670 CB ILE A 45 4.953 -0.682 4.098 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.310 0.295 3.115 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.410 -0.939 3.716 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.487 -0.166 1.669 1.00 0.56 C ATOM 0 H ILE A 45 2.851 -0.996 5.474 1.00 0.46 H new ATOM 0 HA ILE A 45 4.001 -2.352 3.140 1.00 0.47 H new ATOM 0 HB ILE A 45 4.946 -0.241 5.095 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.248 0.392 3.339 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.754 1.283 3.240 1.00 0.59 H new ATOM 0 HG21 ILE A 45 6.950 0.007 3.685 1.00 0.60 H new ATOM 0 HG22 ILE A 45 6.870 -1.595 4.455 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.451 -1.412 2.735 1.00 0.60 H new ATOM 0 HD11 ILE A 45 4.017 0.553 0.998 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.550 -0.238 1.438 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.020 -1.142 1.539 1.00 0.56 H new ATOM 685 N PRO A 46 5.072 -4.257 4.386 1.00 0.48 N ATOM 686 CA PRO A 46 5.778 -5.349 5.062 1.00 0.58 C ATOM 687 C PRO A 46 7.296 -5.187 4.986 1.00 0.61 C ATOM 688 O PRO A 46 7.890 -5.320 3.915 1.00 0.56 O ATOM 689 CB PRO A 46 5.318 -6.593 4.305 1.00 0.57 C ATOM 690 CG PRO A 46 4.920 -6.117 2.946 1.00 0.47 C ATOM 691 CD PRO A 46 4.591 -4.649 3.051 1.00 0.41 C ATOM 0 HA PRO A 46 5.555 -5.388 6.128 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.118 -7.331 4.242 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.481 -7.072 4.812 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.729 -6.277 2.233 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.058 -6.677 2.582 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.085 -4.075 2.267 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.520 -4.474 2.948 1.00 0.41 H new ATOM 699 N PRO A 47 7.949 -4.896 6.127 1.00 0.74 N ATOM 700 CA PRO A 47 9.405 -4.719 6.173 1.00 0.81 C ATOM 701 C PRO A 47 10.146 -6.048 6.094 1.00 0.87 C ATOM 702 O PRO A 47 9.529 -7.113 6.076 1.00 1.53 O ATOM 703 CB PRO A 47 9.643 -4.032 7.514 1.00 0.98 C ATOM 704 CG PRO A 47 8.482 -4.419 8.369 1.00 1.03 C ATOM 705 CD PRO A 47 7.325 -4.721 7.451 1.00 0.85 C ATOM 0 HA PRO A 47 9.777 -4.142 5.326 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.584 -4.355 7.959 1.00 0.98 H new ATOM 0 HB3 PRO A 47 9.701 -2.950 7.396 1.00 0.98 H new ATOM 0 HG2 PRO A 47 8.727 -5.290 8.977 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.226 -3.613 9.056 1.00 1.03 H new ATOM 0 HD2 PRO A 47 6.794 -5.620 7.763 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.599 -3.908 7.445 1.00 0.85 H new ATOM 713 N ASP A 48 11.472 -5.979 6.047 1.00 1.32 N ATOM 714 CA ASP A 48 12.299 -7.177 5.970 1.00 1.46 C ATOM 715 C ASP A 48 11.966 -7.975 4.716 1.00 1.48 C ATOM 716 O ASP A 48 10.958 -8.679 4.666 1.00 2.18 O ATOM 717 CB ASP A 48 12.081 -8.042 7.210 1.00 2.16 C ATOM 718 CG ASP A 48 11.075 -9.146 6.915 1.00 2.56 C ATOM 719 OD1 ASP A 48 9.858 -8.870 6.962 1.00 3.01 O ATOM 720 OD2 ASP A 48 11.506 -10.284 6.637 1.00 3.03 O ATOM 0 H ASP A 48 11.997 -5.105 6.061 1.00 1.32 H new ATOM 0 HA ASP A 48 13.345 -6.875 5.923 1.00 1.46 H new ATOM 0 HB2 ASP A 48 13.028 -8.479 7.528 1.00 2.16 H new ATOM 0 HB3 ASP A 48 11.722 -7.425 8.034 1.00 2.16 H new ATOM 725 N SER A 49 12.819 -7.860 3.704 1.00 1.59 N ATOM 726 CA SER A 49 12.615 -8.567 2.445 1.00 2.11 C ATOM 727 C SER A 49 13.761 -9.537 2.184 1.00 1.90 C ATOM 728 O SER A 49 14.901 -9.286 2.574 1.00 2.33 O ATOM 729 CB SER A 49 12.511 -7.569 1.298 1.00 3.03 C ATOM 730 OG SER A 49 12.734 -8.213 0.054 1.00 3.81 O ATOM 0 H SER A 49 13.660 -7.283 3.731 1.00 1.59 H new ATOM 0 HA SER A 49 11.687 -9.134 2.513 1.00 2.11 H new ATOM 0 HB2 SER A 49 11.525 -7.104 1.301 1.00 3.03 H new ATOM 0 HB3 SER A 49 13.240 -6.771 1.436 1.00 3.03 H new ATOM 0 HG SER A 49 12.496 -7.605 -0.677 1.00 3.81 H new ATOM 736 N GLU A 50 13.451 -10.646 1.518 1.00 1.92 N ATOM 737 CA GLU A 50 14.454 -11.654 1.200 1.00 2.27 C ATOM 738 C GLU A 50 14.996 -11.439 -0.209 1.00 2.09 C ATOM 739 O GLU A 50 16.188 -11.193 -0.395 1.00 2.74 O ATOM 740 CB GLU A 50 13.849 -13.051 1.315 1.00 3.06 C ATOM 741 CG GLU A 50 13.083 -13.226 2.624 1.00 3.83 C ATOM 742 CD GLU A 50 11.672 -13.726 2.348 1.00 4.43 C ATOM 743 OE1 GLU A 50 11.510 -14.593 1.465 1.00 4.97 O ATOM 744 OE2 GLU A 50 10.730 -13.251 3.017 1.00 4.75 O ATOM 0 H GLU A 50 12.512 -10.868 1.188 1.00 1.92 H new ATOM 0 HA GLU A 50 15.276 -11.561 1.910 1.00 2.27 H new ATOM 0 HB2 GLU A 50 13.179 -13.228 0.474 1.00 3.06 H new ATOM 0 HB3 GLU A 50 14.641 -13.797 1.254 1.00 3.06 H new ATOM 0 HG2 GLU A 50 13.607 -13.932 3.268 1.00 3.83 H new ATOM 0 HG3 GLU A 50 13.042 -12.277 3.159 1.00 3.83 H new ATOM 751 N LYS A 51 14.113 -11.534 -1.199 1.00 1.76 N ATOM 752 CA LYS A 51 14.503 -11.348 -2.592 1.00 1.77 C ATOM 753 C LYS A 51 13.561 -10.373 -3.287 1.00 1.55 C ATOM 754 O LYS A 51 13.992 -9.345 -3.809 1.00 2.20 O ATOM 755 CB LYS A 51 14.492 -12.689 -3.320 1.00 2.14 C ATOM 756 CG LYS A 51 15.903 -13.239 -3.506 1.00 2.60 C ATOM 757 CD LYS A 51 16.051 -14.627 -2.885 1.00 3.36 C ATOM 758 CE LYS A 51 17.507 -14.947 -2.565 1.00 4.12 C ATOM 759 NZ LYS A 51 17.636 -15.622 -1.243 1.00 4.81 N ATOM 0 H LYS A 51 13.123 -11.739 -1.062 1.00 1.76 H new ATOM 0 HA LYS A 51 15.511 -10.934 -2.617 1.00 1.77 H new ATOM 0 HB2 LYS A 51 13.893 -13.405 -2.756 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.016 -12.571 -4.293 1.00 2.14 H new ATOM 0 HG2 LYS A 51 16.138 -13.288 -4.569 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.623 -12.558 -3.052 1.00 2.60 H new ATOM 0 HD2 LYS A 51 15.457 -14.683 -1.973 1.00 3.36 H new ATOM 0 HD3 LYS A 51 15.655 -15.377 -3.570 1.00 3.36 H new ATOM 0 HE2 LYS A 51 17.920 -15.587 -3.344 1.00 4.12 H new ATOM 0 HE3 LYS A 51 18.092 -14.027 -2.565 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 18.638 -15.827 -1.054 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 17.263 -15.000 -0.498 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 17.097 -16.511 -1.253 1.00 4.81 H new ATOM 773 N SER A 52 12.273 -10.700 -3.289 1.00 1.19 N ATOM 774 CA SER A 52 11.268 -9.851 -3.920 1.00 1.04 C ATOM 775 C SER A 52 10.350 -9.239 -2.869 1.00 0.92 C ATOM 776 O SER A 52 10.026 -9.878 -1.867 1.00 1.19 O ATOM 777 CB SER A 52 10.448 -10.665 -4.916 1.00 1.25 C ATOM 778 OG SER A 52 9.354 -11.293 -4.268 1.00 2.03 O ATOM 0 H SER A 52 11.900 -11.547 -2.861 1.00 1.19 H new ATOM 0 HA SER A 52 11.777 -9.046 -4.449 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.082 -10.015 -5.711 1.00 1.25 H new ATOM 0 HB3 SER A 52 11.080 -11.418 -5.386 1.00 1.25 H new ATOM 0 HG SER A 52 8.839 -11.809 -4.922 1.00 2.03 H new ATOM 784 N ASN A 53 9.936 -7.998 -3.100 1.00 0.68 N ATOM 785 CA ASN A 53 9.062 -7.295 -2.175 1.00 0.61 C ATOM 786 C ASN A 53 7.604 -7.454 -2.584 1.00 0.59 C ATOM 787 O ASN A 53 7.299 -7.733 -3.743 1.00 0.99 O ATOM 788 CB ASN A 53 9.432 -5.816 -2.139 1.00 0.60 C ATOM 789 CG ASN A 53 10.886 -5.644 -1.725 1.00 0.89 C ATOM 790 OD1 ASN A 53 11.797 -6.109 -2.410 1.00 1.68 O ATOM 791 ND2 ASN A 53 11.107 -4.974 -0.601 1.00 1.28 N ATOM 0 H ASN A 53 10.195 -7.458 -3.926 1.00 0.68 H new ATOM 0 HA ASN A 53 9.190 -7.725 -1.182 1.00 0.61 H new ATOM 0 HB2 ASN A 53 9.271 -5.370 -3.121 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.783 -5.289 -1.440 1.00 0.60 H new ATOM 0 HD21 ASN A 53 12.062 -4.827 -0.274 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.322 -4.606 -0.064 1.00 1.28 H new ATOM 798 N LEU A 54 6.709 -7.272 -1.621 1.00 0.55 N ATOM 799 CA LEU A 54 5.276 -7.389 -1.866 1.00 0.51 C ATOM 800 C LEU A 54 4.492 -6.652 -0.788 1.00 0.44 C ATOM 801 O LEU A 54 4.329 -7.150 0.325 1.00 0.57 O ATOM 802 CB LEU A 54 4.868 -8.860 -1.892 1.00 0.65 C ATOM 803 CG LEU A 54 4.355 -9.275 -3.269 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.481 -9.875 -4.104 1.00 1.49 C ATOM 805 CD2 LEU A 54 3.197 -10.259 -3.140 1.00 1.49 C ATOM 0 H LEU A 54 6.952 -7.041 -0.658 1.00 0.55 H new ATOM 0 HA LEU A 54 5.050 -6.939 -2.833 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.722 -9.480 -1.619 1.00 0.65 H new ATOM 0 HB3 LEU A 54 4.094 -9.037 -1.146 1.00 0.65 H new ATOM 0 HG LEU A 54 3.989 -8.384 -3.779 1.00 0.82 H new ATOM 0 HD11 LEU A 54 5.095 -10.164 -5.081 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.273 -9.137 -4.231 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.881 -10.753 -3.598 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.847 -10.541 -4.133 1.00 1.49 H new ATOM 0 HD22 LEU A 54 3.533 -11.149 -2.607 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.382 -9.791 -2.587 1.00 1.49 H new ATOM 817 N ILE A 55 4.010 -5.460 -1.126 1.00 0.31 N ATOM 818 CA ILE A 55 3.243 -4.650 -0.187 1.00 0.26 C ATOM 819 C ILE A 55 1.830 -5.196 -0.041 1.00 0.27 C ATOM 820 O ILE A 55 1.299 -5.829 -0.954 1.00 0.34 O ATOM 821 CB ILE A 55 3.195 -3.202 -0.663 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.606 -2.635 -0.794 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.359 -2.345 0.283 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.593 -1.227 -1.382 1.00 0.35 C ATOM 0 H ILE A 55 4.137 -5.034 -2.044 1.00 0.31 H new ATOM 0 HA ILE A 55 3.734 -4.690 0.786 1.00 0.26 H new ATOM 0 HB ILE A 55 2.722 -3.183 -1.645 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.084 -2.616 0.186 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.204 -3.289 -1.428 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.340 -1.317 -0.078 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.342 -2.734 0.323 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.797 -2.371 1.281 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.615 -0.856 -1.460 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.139 -1.251 -2.372 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.016 -0.567 -0.734 1.00 0.35 H new ATOM 836 N ARG A 56 1.223 -4.947 1.116 1.00 0.29 N ATOM 837 CA ARG A 56 -0.132 -5.412 1.384 1.00 0.32 C ATOM 838 C ARG A 56 -1.082 -4.235 1.535 1.00 0.29 C ATOM 839 O ARG A 56 -0.886 -3.368 2.387 1.00 0.42 O ATOM 840 CB ARG A 56 -0.149 -6.265 2.647 1.00 0.42 C ATOM 841 CG ARG A 56 0.357 -7.674 2.367 1.00 0.55 C ATOM 842 CD ARG A 56 1.648 -7.970 3.125 1.00 0.84 C ATOM 843 NE ARG A 56 1.365 -8.732 4.335 1.00 1.44 N ATOM 844 CZ ARG A 56 1.678 -10.020 4.438 1.00 1.77 C ATOM 845 NH1 ARG A 56 2.948 -10.403 4.391 1.00 2.19 N ATOM 846 NH2 ARG A 56 0.723 -10.928 4.585 1.00 2.33 N ATOM 0 H ARG A 56 1.649 -4.426 1.882 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.465 -6.017 0.541 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.471 -5.798 3.412 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.163 -6.312 3.044 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.406 -8.398 2.651 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.527 -7.794 1.297 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.331 -8.530 2.487 1.00 0.84 H new ATOM 0 HD3 ARG A 56 2.147 -7.036 3.384 1.00 0.84 H new ATOM 0 HE ARG A 56 0.915 -8.265 5.123 1.00 1.44 H new ATOM 0 HH11 ARG A 56 3.686 -9.709 4.276 1.00 2.19 H new ATOM 0 HH12 ARG A 56 3.186 -11.392 4.470 1.00 2.19 H new ATOM 0 HH21 ARG A 56 -0.255 -10.639 4.619 1.00 2.33 H new ATOM 0 HH22 ARG A 56 0.966 -11.916 4.664 1.00 2.33 H new ATOM 860 N ILE A 57 -2.116 -4.214 0.703 1.00 0.24 N ATOM 861 CA ILE A 57 -3.107 -3.144 0.738 1.00 0.24 C ATOM 862 C ILE A 57 -4.497 -3.716 0.968 1.00 0.26 C ATOM 863 O ILE A 57 -4.860 -4.740 0.390 1.00 0.40 O ATOM 864 CB ILE A 57 -3.082 -2.367 -0.575 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.652 -1.979 -0.946 1.00 0.28 C ATOM 866 CG2 ILE A 57 -3.967 -1.128 -0.488 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.050 -1.013 0.071 1.00 1.32 C ATOM 0 H ILE A 57 -2.291 -4.927 -0.006 1.00 0.24 H new ATOM 0 HA ILE A 57 -2.862 -2.471 1.560 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.476 -3.014 -1.358 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.035 -2.876 -1.006 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.644 -1.519 -1.934 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -3.934 -0.590 -1.435 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -4.993 -1.428 -0.277 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.607 -0.479 0.311 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.032 -0.760 -0.226 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -1.653 -0.106 0.112 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.034 -1.483 1.054 1.00 1.32 H new ATOM 879 N GLU A 58 -5.277 -3.051 1.813 1.00 0.23 N ATOM 880 CA GLU A 58 -6.631 -3.497 2.115 1.00 0.25 C ATOM 881 C GLU A 58 -7.492 -2.320 2.544 1.00 0.24 C ATOM 882 O GLU A 58 -7.075 -1.499 3.360 1.00 0.26 O ATOM 883 CB GLU A 58 -6.604 -4.549 3.218 1.00 0.32 C ATOM 884 CG GLU A 58 -8.009 -5.035 3.563 1.00 0.37 C ATOM 885 CD GLU A 58 -8.243 -4.952 5.066 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.668 -4.049 5.709 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.002 -5.790 5.598 1.00 1.47 O ATOM 0 H GLU A 58 -4.994 -2.201 2.301 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.060 -3.937 1.215 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -5.993 -5.394 2.901 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.133 -4.132 4.108 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -8.749 -4.430 3.039 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.139 -6.063 3.224 1.00 0.37 H new ATOM 894 N GLY A 59 -8.694 -2.240 1.986 1.00 0.25 N ATOM 895 CA GLY A 59 -9.613 -1.157 2.307 1.00 0.27 C ATOM 896 C GLY A 59 -10.970 -1.373 1.650 1.00 0.39 C ATOM 897 O GLY A 59 -11.328 -2.496 1.296 1.00 0.59 O ATOM 0 H GLY A 59 -9.054 -2.913 1.309 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.736 -1.089 3.388 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.192 -0.208 1.974 1.00 0.27 H new ATOM 901 N ASP A 60 -11.719 -0.287 1.489 1.00 0.53 N ATOM 902 CA ASP A 60 -13.025 -0.331 0.878 1.00 0.70 C ATOM 903 C ASP A 60 -12.964 -1.055 -0.467 1.00 0.59 C ATOM 904 O ASP A 60 -11.922 -1.576 -0.860 1.00 1.04 O ATOM 905 CB ASP A 60 -13.536 1.099 0.699 1.00 1.22 C ATOM 906 CG ASP A 60 -14.717 1.366 1.623 1.00 1.93 C ATOM 907 OD1 ASP A 60 -14.837 0.668 2.653 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.521 2.271 1.316 1.00 2.31 O ATOM 0 H ASP A 60 -11.429 0.646 1.782 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.710 -0.883 1.521 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -12.734 1.807 0.911 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -13.835 1.257 -0.337 1.00 1.22 H new ATOM 913 N PRO A 61 -14.098 -1.104 -1.176 1.00 0.72 N ATOM 914 CA PRO A 61 -14.224 -1.766 -2.464 1.00 1.14 C ATOM 915 C PRO A 61 -14.031 -0.803 -3.633 1.00 0.88 C ATOM 916 O PRO A 61 -14.408 -1.105 -4.765 1.00 1.22 O ATOM 917 CB PRO A 61 -15.651 -2.315 -2.398 1.00 1.82 C ATOM 918 CG PRO A 61 -16.384 -1.444 -1.408 1.00 1.82 C ATOM 919 CD PRO A 61 -15.367 -0.527 -0.769 1.00 1.17 C ATOM 0 HA PRO A 61 -13.467 -2.531 -2.636 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -16.128 -2.280 -3.377 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -15.654 -3.357 -2.079 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -17.161 -0.866 -1.908 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -16.878 -2.055 -0.652 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -15.474 0.499 -1.120 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -15.470 -0.505 0.316 1.00 1.17 H new ATOM 927 N GLN A 62 -13.432 0.353 -3.351 1.00 0.64 N ATOM 928 CA GLN A 62 -13.180 1.359 -4.377 1.00 0.47 C ATOM 929 C GLN A 62 -11.956 2.192 -4.018 1.00 0.41 C ATOM 930 O GLN A 62 -11.113 2.472 -4.870 1.00 0.47 O ATOM 931 CB GLN A 62 -14.394 2.268 -4.536 1.00 0.69 C ATOM 932 CG GLN A 62 -15.567 1.530 -5.166 1.00 0.85 C ATOM 933 CD GLN A 62 -16.821 2.392 -5.119 1.00 1.34 C ATOM 934 OE1 GLN A 62 -17.071 3.094 -4.138 1.00 2.14 O ATOM 935 NE2 GLN A 62 -17.612 2.342 -6.185 1.00 1.73 N ATOM 0 H GLN A 62 -13.112 0.615 -2.418 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.993 0.847 -5.321 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -14.689 2.656 -3.561 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -14.129 3.126 -5.154 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -15.332 1.274 -6.199 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.742 0.593 -4.638 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -17.366 1.746 -6.975 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -18.466 2.899 -6.213 1.00 1.73 H new ATOM 944 N GLY A 63 -11.864 2.590 -2.755 1.00 0.37 N ATOM 945 CA GLY A 63 -10.741 3.391 -2.288 1.00 0.34 C ATOM 946 C GLY A 63 -9.464 2.564 -2.244 1.00 0.27 C ATOM 947 O GLY A 63 -8.372 3.076 -2.487 1.00 0.29 O ATOM 0 H GLY A 63 -12.554 2.371 -2.036 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.601 4.248 -2.947 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.958 3.785 -1.295 1.00 0.34 H new ATOM 951 N VAL A 64 -9.607 1.280 -1.929 1.00 0.24 N ATOM 952 CA VAL A 64 -8.463 0.380 -1.850 1.00 0.21 C ATOM 953 C VAL A 64 -7.891 0.110 -3.239 1.00 0.24 C ATOM 954 O VAL A 64 -6.674 0.071 -3.420 1.00 0.28 O ATOM 955 CB VAL A 64 -8.872 -0.925 -1.150 1.00 0.24 C ATOM 956 CG1 VAL A 64 -9.570 -1.898 -2.103 1.00 0.30 C ATOM 957 CG2 VAL A 64 -7.659 -1.584 -0.501 1.00 0.26 C ATOM 0 H VAL A 64 -10.504 0.840 -1.724 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.679 0.854 -1.260 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.592 -0.665 -0.374 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -9.840 -2.805 -1.563 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.471 -1.432 -2.503 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -8.897 -2.150 -2.923 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -7.966 -2.507 -0.009 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -6.915 -1.810 -1.265 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.228 -0.907 0.236 1.00 0.26 H new ATOM 967 N GLN A 65 -8.773 -0.072 -4.218 1.00 0.25 N ATOM 968 CA GLN A 65 -8.344 -0.332 -5.586 1.00 0.30 C ATOM 969 C GLN A 65 -7.818 0.951 -6.222 1.00 0.30 C ATOM 970 O GLN A 65 -6.979 0.910 -7.123 1.00 0.34 O ATOM 971 CB GLN A 65 -9.501 -0.907 -6.404 1.00 0.37 C ATOM 972 CG GLN A 65 -10.571 0.138 -6.707 1.00 0.42 C ATOM 973 CD GLN A 65 -10.776 0.273 -8.211 1.00 0.78 C ATOM 974 OE1 GLN A 65 -9.948 -0.172 -9.005 1.00 1.56 O ATOM 975 NE2 GLN A 65 -11.884 0.892 -8.602 1.00 0.82 N ATOM 0 H GLN A 65 -9.784 -0.044 -4.089 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.538 -1.066 -5.571 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.116 -1.311 -7.340 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -9.951 -1.737 -5.859 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.509 -0.145 -6.230 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.278 1.100 -6.286 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.543 1.245 -7.908 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -12.076 1.014 -9.596 1.00 0.82 H new ATOM 984 N GLN A 66 -8.305 2.090 -5.736 1.00 0.29 N ATOM 985 CA GLN A 66 -7.877 3.387 -6.244 1.00 0.31 C ATOM 986 C GLN A 66 -6.456 3.678 -5.785 1.00 0.29 C ATOM 987 O GLN A 66 -5.581 3.987 -6.596 1.00 0.36 O ATOM 988 CB GLN A 66 -8.819 4.481 -5.753 1.00 0.35 C ATOM 989 CG GLN A 66 -10.136 4.474 -6.525 1.00 0.79 C ATOM 990 CD GLN A 66 -10.145 5.589 -7.564 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.095 6.097 -7.954 1.00 2.03 O ATOM 992 NE2 GLN A 66 -11.336 5.969 -8.013 1.00 1.31 N ATOM 0 H GLN A 66 -8.998 2.139 -4.989 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.902 3.366 -7.334 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.018 4.341 -4.691 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -8.338 5.453 -5.862 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -10.273 3.510 -7.015 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.970 4.603 -5.836 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -12.181 5.519 -7.661 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -11.405 6.711 -8.710 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.227 3.561 -4.480 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.906 3.795 -3.913 1.00 0.27 C ATOM 1003 C ALA A 67 -3.956 2.695 -4.360 1.00 0.26 C ATOM 1004 O ALA A 67 -2.768 2.931 -4.577 1.00 0.30 O ATOM 1005 CB ALA A 67 -4.984 3.828 -2.389 1.00 0.29 C ATOM 0 H ALA A 67 -6.940 3.306 -3.797 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.534 4.757 -4.265 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -3.990 4.004 -1.978 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.653 4.630 -2.076 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.365 2.874 -2.023 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.498 1.490 -4.508 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.714 0.344 -4.943 1.00 0.28 C ATOM 1013 C LYS A 68 -3.022 0.663 -6.260 1.00 0.31 C ATOM 1014 O LYS A 68 -1.827 0.416 -6.421 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.626 -0.873 -5.103 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.891 -2.068 -5.707 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.664 -2.661 -6.880 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.840 -3.702 -7.631 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.254 -3.789 -9.060 1.00 0.88 N ATOM 0 H LYS A 68 -5.481 1.284 -4.332 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.955 0.119 -4.194 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.032 -1.152 -4.130 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.472 -0.610 -5.738 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.901 -1.757 -6.041 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.744 -2.831 -4.943 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.584 -3.119 -6.515 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -4.954 -1.864 -7.564 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -2.782 -3.445 -7.571 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.959 -4.676 -7.155 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.677 -4.505 -9.546 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.257 -4.058 -9.115 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -4.118 -2.865 -9.518 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.780 1.222 -7.198 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.245 1.586 -8.498 1.00 0.43 C ATOM 1035 C ARG A 69 -2.407 2.855 -8.389 1.00 0.42 C ATOM 1036 O ARG A 69 -1.404 3.011 -9.087 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.388 1.798 -9.481 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.868 2.118 -10.875 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.994 2.517 -11.824 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.467 2.752 -13.163 1.00 1.81 N ATOM 1041 CZ ARG A 69 -3.713 1.853 -13.785 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -4.280 0.842 -14.432 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -2.392 1.959 -13.760 1.00 2.98 N ATOM 0 H ARG A 69 -4.771 1.432 -7.078 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.607 0.779 -8.858 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.008 0.903 -9.519 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -5.024 2.612 -9.132 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -3.140 2.927 -10.814 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.346 1.249 -11.276 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.748 1.731 -11.855 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.487 3.417 -11.457 1.00 1.36 H new ATOM 0 HE ARG A 69 -4.683 3.630 -13.635 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -5.296 0.755 -14.452 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -3.700 0.152 -14.909 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -1.952 2.733 -13.262 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -1.816 1.267 -14.239 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.824 3.759 -7.507 1.00 0.40 N ATOM 1058 CA GLU A 70 -2.112 5.017 -7.302 1.00 0.43 C ATOM 1059 C GLU A 70 -0.692 4.751 -6.816 1.00 0.44 C ATOM 1060 O GLU A 70 0.248 5.439 -7.213 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.854 5.880 -6.284 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.882 7.347 -6.707 1.00 0.59 C ATOM 1063 CD GLU A 70 -3.838 7.544 -7.875 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -4.782 6.738 -8.015 1.00 1.50 O ATOM 1065 OE2 GLU A 70 -3.642 8.504 -8.649 1.00 1.38 O ATOM 0 H GLU A 70 -3.652 3.644 -6.922 1.00 0.40 H new ATOM 0 HA GLU A 70 -2.065 5.547 -8.253 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.874 5.514 -6.170 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.373 5.790 -5.310 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -3.191 7.969 -5.867 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.880 7.670 -6.990 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.544 3.747 -5.958 1.00 0.40 N ATOM 1073 CA LEU A 71 0.763 3.387 -5.419 1.00 0.47 C ATOM 1074 C LEU A 71 1.577 2.639 -6.466 1.00 0.52 C ATOM 1075 O LEU A 71 2.756 2.925 -6.673 1.00 0.60 O ATOM 1076 CB LEU A 71 0.597 2.518 -4.177 1.00 0.51 C ATOM 1077 CG LEU A 71 0.166 3.340 -2.964 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.907 2.603 -2.168 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.365 3.666 -2.080 1.00 1.15 C ATOM 0 H LEU A 71 -1.313 3.168 -5.621 1.00 0.40 H new ATOM 0 HA LEU A 71 1.291 4.301 -5.147 1.00 0.47 H new ATOM 0 HB2 LEU A 71 -0.143 1.742 -4.372 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.538 2.013 -3.958 1.00 0.51 H new ATOM 0 HG LEU A 71 -0.258 4.278 -3.321 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.200 3.205 -1.308 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.776 2.429 -2.803 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.512 1.647 -1.824 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.036 4.252 -1.222 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.823 2.740 -1.733 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.094 4.239 -2.653 1.00 1.15 H new ATOM 1091 N LEU A 72 0.936 1.680 -7.127 1.00 0.52 N ATOM 1092 CA LEU A 72 1.594 0.886 -8.159 1.00 0.63 C ATOM 1093 C LEU A 72 2.279 1.792 -9.175 1.00 0.67 C ATOM 1094 O LEU A 72 3.305 1.431 -9.752 1.00 0.83 O ATOM 1095 CB LEU A 72 0.570 0.001 -8.864 1.00 0.66 C ATOM 1096 CG LEU A 72 0.504 -1.393 -8.242 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.941 -1.776 -7.929 1.00 1.99 C ATOM 1098 CD2 LEU A 72 1.146 -2.425 -9.164 1.00 1.04 C ATOM 0 H LEU A 72 -0.041 1.434 -6.966 1.00 0.52 H new ATOM 0 HA LEU A 72 2.349 0.258 -7.686 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.413 0.469 -8.812 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.828 -0.083 -9.920 1.00 0.66 H new ATOM 0 HG LEU A 72 1.063 -1.376 -7.307 1.00 0.88 H new ATOM 0 HD11 LEU A 72 -0.966 -2.772 -7.487 1.00 1.99 H new ATOM 0 HD12 LEU A 72 -1.364 -1.057 -7.228 1.00 1.99 H new ATOM 0 HD13 LEU A 72 -1.526 -1.773 -8.849 1.00 1.99 H new ATOM 0 HD21 LEU A 72 1.089 -3.411 -8.703 1.00 1.04 H new ATOM 0 HD22 LEU A 72 0.618 -2.439 -10.118 1.00 1.04 H new ATOM 0 HD23 LEU A 72 2.191 -2.163 -9.332 1.00 1.04 H new ATOM 1110 N GLU A 73 1.704 2.971 -9.390 1.00 0.64 N ATOM 1111 CA GLU A 73 2.257 3.932 -10.339 1.00 0.74 C ATOM 1112 C GLU A 73 2.977 5.058 -9.606 1.00 0.71 C ATOM 1113 O GLU A 73 4.205 5.069 -9.519 1.00 0.88 O ATOM 1114 CB GLU A 73 1.141 4.507 -11.206 1.00 0.82 C ATOM 1115 CG GLU A 73 0.830 3.602 -12.396 1.00 1.00 C ATOM 1116 CD GLU A 73 0.878 4.399 -13.693 1.00 1.41 C ATOM 1117 OE1 GLU A 73 1.976 4.529 -14.273 1.00 2.05 O ATOM 1118 OE2 GLU A 73 -0.185 4.893 -14.128 1.00 2.01 O ATOM 0 H GLU A 73 0.855 3.284 -8.920 1.00 0.64 H new ATOM 0 HA GLU A 73 2.977 3.416 -10.974 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.242 4.638 -10.603 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.431 5.494 -11.565 1.00 0.82 H new ATOM 0 HG2 GLU A 73 1.549 2.784 -12.437 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.156 3.154 -12.273 1.00 1.00 H new ATOM 1125 N LEU A 74 2.206 6.006 -9.083 1.00 0.64 N ATOM 1126 CA LEU A 74 2.767 7.141 -8.360 1.00 0.71 C ATOM 1127 C LEU A 74 3.641 6.664 -7.207 1.00 0.82 C ATOM 1128 O LEU A 74 4.685 7.252 -6.923 1.00 1.13 O ATOM 1129 CB LEU A 74 1.646 8.027 -7.828 1.00 0.85 C ATOM 1130 CG LEU A 74 0.714 8.483 -8.947 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.368 9.411 -8.402 1.00 1.19 C ATOM 1132 CD2 LEU A 74 1.503 9.165 -10.059 1.00 1.32 C ATOM 0 H LEU A 74 1.188 6.010 -9.147 1.00 0.64 H new ATOM 0 HA LEU A 74 3.384 7.718 -9.049 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.075 7.481 -7.077 1.00 0.85 H new ATOM 0 HB3 LEU A 74 2.074 8.898 -7.332 1.00 0.85 H new ATOM 0 HG LEU A 74 0.226 7.603 -9.367 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.022 9.725 -9.216 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -0.954 8.884 -7.649 1.00 1.19 H new ATOM 0 HD13 LEU A 74 0.098 10.288 -7.952 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.820 9.483 -10.847 1.00 1.32 H new ATOM 0 HD22 LEU A 74 2.022 10.035 -9.656 1.00 1.32 H new ATOM 0 HD23 LEU A 74 2.231 8.466 -10.470 1.00 1.32 H new ATOM 1144 N ALA A 75 3.209 5.596 -6.545 1.00 0.78 N ATOM 1145 CA ALA A 75 3.951 5.040 -5.421 1.00 0.99 C ATOM 1146 C ALA A 75 4.257 6.120 -4.393 1.00 1.70 C ATOM 1147 O ALA A 75 5.405 6.538 -4.238 1.00 2.16 O ATOM 1148 CB ALA A 75 5.251 4.410 -5.915 1.00 1.14 C ATOM 0 H ALA A 75 2.347 5.098 -6.768 1.00 0.78 H new ATOM 0 HA ALA A 75 3.337 4.274 -4.947 1.00 0.99 H new ATOM 0 HB1 ALA A 75 5.800 3.997 -5.069 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.023 3.614 -6.623 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.860 5.169 -6.406 1.00 1.14 H new ATOM 1154 N SER A 76 3.222 6.571 -3.689 1.00 2.17 N ATOM 1155 CA SER A 76 3.377 7.604 -2.672 1.00 3.01 C ATOM 1156 C SER A 76 2.190 7.594 -1.717 1.00 3.57 C ATOM 1157 O SER A 76 1.118 7.088 -2.108 1.00 4.23 O ATOM 1158 CB SER A 76 3.499 8.974 -3.333 1.00 3.63 C ATOM 1159 OG SER A 76 4.795 9.513 -3.117 1.00 4.36 O ATOM 1160 OXT SER A 76 2.335 8.093 -0.581 1.00 3.89 O ATOM 0 H SER A 76 2.266 6.236 -3.805 1.00 2.17 H new ATOM 0 HA SER A 76 4.284 7.398 -2.104 1.00 3.01 H new ATOM 0 HB2 SER A 76 3.308 8.887 -4.403 1.00 3.63 H new ATOM 0 HB3 SER A 76 2.745 9.649 -2.928 1.00 3.63 H new ATOM 0 HG SER A 76 4.860 10.391 -3.548 1.00 4.36 H new TER 1166 SER A 76