USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 765 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 82 ASN : amide:sc= -2.1! C(o=-0.62!,f=-5!) USER MOD Set 1.2: A 84 THR OG1 : rot -73:sc= 0.792 USER MOD Set 1.3: A 97 SER OG : rot 180:sc= 0.69 USER MOD Set 2.1: A 76 THR OG1 : rot -28:sc= -0.038 USER MOD Set 2.2: A 79 ASN : amide:sc= 1.79 K(o=-2.2,f=-10!) USER MOD Set 2.3: A 83 TYR OH : rot 82:sc= -3.97! USER MOD Set 3.1: A 28 SER OG : rot -94:sc= 1.08 USER MOD Set 3.2: A 67 HIS : no HD1:sc= 1.76 K(o=2.8,f=-4.7!) USER MOD Set 4.1: A 13 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 4.2: A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 1 ASP N :NH3+ -138:sc= 2.45 (180deg=-1.35!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00659 USER MOD Single : A 20 MET CE :methyl -143:sc= -0.307 (180deg=-1.2) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.33 X(o=-0.33,f=-0.68) USER MOD Single : A 36 SER OG : rot 45:sc= 0.109 USER MOD Single : A 42 ASN : amide:sc= -0.0865 K(o=-0.087,f=-0.59) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.935! K(o=-0.93!,f=-4.3) USER MOD Single : A 89 ASN : amide:sc= -0.0327 K(o=-0.033,f=-3.6!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 37:sc= 0.0295 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl -155:sc= 0 (180deg=-0.795) USER MOD Single : A 105 ASN : amide:sc= -1.41 K(o=-1.4,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -25.777 1.402 -2.291 1.00 6.98 N ATOM 2 CA ASP A 1 -26.518 1.948 -3.428 1.00 6.54 C ATOM 3 C ASP A 1 -27.087 0.875 -4.332 1.00 5.59 C ATOM 4 O ASP A 1 -28.310 0.752 -4.457 1.00 5.69 O ATOM 5 CB ASP A 1 -25.663 2.911 -4.247 1.00 7.27 C ATOM 6 CG ASP A 1 -25.431 4.216 -3.549 1.00 7.61 C ATOM 7 OD1 ASP A 1 -24.564 4.271 -2.657 1.00 7.83 O ATOM 8 OD2 ASP A 1 -26.098 5.215 -3.880 1.00 7.93 O ATOM 0 H1 ASP A 1 -26.011 1.941 -1.433 1.00 6.98 H new ATOM 0 H2 ASP A 1 -26.036 0.404 -2.155 1.00 6.98 H new ATOM 0 H3 ASP A 1 -24.756 1.472 -2.476 1.00 6.98 H new ATOM 0 HA ASP A 1 -27.356 2.495 -2.996 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -24.702 2.444 -4.463 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -26.149 3.097 -5.205 1.00 7.27 H new ATOM 15 N ASP A 2 -26.240 0.083 -4.967 1.00 5.04 N ATOM 16 CA ASP A 2 -26.749 -0.887 -5.937 1.00 4.46 C ATOM 17 C ASP A 2 -26.735 -2.283 -5.364 1.00 3.67 C ATOM 18 O ASP A 2 -27.722 -2.738 -4.786 1.00 3.69 O ATOM 19 CB ASP A 2 -25.971 -0.844 -7.266 1.00 5.12 C ATOM 20 CG ASP A 2 -25.966 0.510 -7.921 1.00 5.72 C ATOM 21 OD1 ASP A 2 -26.905 0.833 -8.679 1.00 6.17 O ATOM 22 OD2 ASP A 2 -25.002 1.283 -7.695 1.00 6.07 O ATOM 0 H ASP A 2 -25.228 0.085 -4.839 1.00 5.04 H new ATOM 0 HA ASP A 2 -27.780 -0.607 -6.152 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -24.942 -1.154 -7.084 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -26.405 -1.569 -7.954 1.00 5.12 H new ATOM 27 N ASP A 3 -25.611 -2.953 -5.486 1.00 3.50 N ATOM 28 CA ASP A 3 -25.452 -4.304 -4.939 1.00 3.44 C ATOM 29 C ASP A 3 -24.884 -4.191 -3.541 1.00 2.86 C ATOM 30 O ASP A 3 -24.934 -5.109 -2.731 1.00 3.35 O ATOM 31 CB ASP A 3 -24.536 -5.138 -5.853 1.00 4.23 C ATOM 32 CG ASP A 3 -24.256 -6.529 -5.320 1.00 4.91 C ATOM 33 OD1 ASP A 3 -23.073 -6.866 -5.080 1.00 5.43 O ATOM 34 OD2 ASP A 3 -25.221 -7.296 -5.097 1.00 5.26 O ATOM 0 H ASP A 3 -24.783 -2.592 -5.960 1.00 3.50 H new ATOM 0 HA ASP A 3 -26.415 -4.812 -4.891 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -24.996 -5.220 -6.838 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -23.591 -4.611 -5.986 1.00 4.23 H new ATOM 39 N ASP A 4 -24.386 -3.025 -3.280 1.00 2.36 N ATOM 40 CA ASP A 4 -23.786 -2.652 -2.030 1.00 2.24 C ATOM 41 C ASP A 4 -24.837 -1.990 -1.135 1.00 1.92 C ATOM 42 O ASP A 4 -25.687 -1.232 -1.620 1.00 2.04 O ATOM 43 CB ASP A 4 -22.644 -1.650 -2.311 1.00 2.71 C ATOM 44 CG ASP A 4 -23.138 -0.361 -2.974 1.00 3.25 C ATOM 45 OD1 ASP A 4 -23.472 -0.384 -4.165 1.00 3.54 O ATOM 46 OD2 ASP A 4 -23.142 0.725 -2.321 1.00 3.87 O ATOM 0 H ASP A 4 -24.384 -2.267 -3.963 1.00 2.36 H new ATOM 0 HA ASP A 4 -23.393 -3.535 -1.527 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -22.144 -1.403 -1.374 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -21.901 -2.123 -2.954 1.00 2.71 H new ATOM 51 N ASP A 5 -24.831 -2.322 0.142 1.00 1.78 N ATOM 52 CA ASP A 5 -25.726 -1.651 1.106 1.00 1.68 C ATOM 53 C ASP A 5 -24.897 -0.990 2.178 1.00 1.53 C ATOM 54 O ASP A 5 -25.052 0.197 2.465 1.00 1.50 O ATOM 55 CB ASP A 5 -26.711 -2.624 1.770 1.00 1.90 C ATOM 56 CG ASP A 5 -27.728 -1.912 2.671 1.00 2.14 C ATOM 57 OD1 ASP A 5 -27.360 -1.537 3.819 1.00 2.55 O ATOM 58 OD2 ASP A 5 -28.906 -1.727 2.271 1.00 2.43 O ATOM 0 H ASP A 5 -24.230 -3.041 0.546 1.00 1.78 H new ATOM 0 HA ASP A 5 -26.308 -0.916 0.551 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -27.242 -3.180 0.998 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -26.154 -3.351 2.361 1.00 1.90 H new ATOM 63 N VAL A 6 -23.992 -1.764 2.740 1.00 1.54 N ATOM 64 CA VAL A 6 -23.101 -1.301 3.778 1.00 1.49 C ATOM 65 C VAL A 6 -22.058 -0.350 3.206 1.00 1.25 C ATOM 66 O VAL A 6 -21.075 -0.761 2.586 1.00 1.34 O ATOM 67 CB VAL A 6 -22.438 -2.482 4.555 1.00 1.77 C ATOM 68 CG1 VAL A 6 -23.447 -3.152 5.446 1.00 2.08 C ATOM 69 CG2 VAL A 6 -21.833 -3.518 3.613 1.00 1.94 C ATOM 0 H VAL A 6 -23.855 -2.742 2.485 1.00 1.54 H new ATOM 0 HA VAL A 6 -23.700 -0.751 4.504 1.00 1.49 H new ATOM 0 HB VAL A 6 -21.634 -2.058 5.156 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -22.971 -3.973 5.981 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -23.836 -2.429 6.163 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -24.266 -3.540 4.841 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -21.383 -4.321 4.196 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -22.614 -3.928 2.973 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -21.069 -3.046 2.995 1.00 1.94 H new ATOM 79 N SER A 7 -22.272 0.912 3.399 1.00 1.06 N ATOM 80 CA SER A 7 -21.416 1.873 2.801 1.00 0.91 C ATOM 81 C SER A 7 -20.310 2.260 3.766 1.00 0.81 C ATOM 82 O SER A 7 -20.493 3.077 4.678 1.00 0.91 O ATOM 83 CB SER A 7 -22.229 3.090 2.350 1.00 1.01 C ATOM 84 OG SER A 7 -21.474 3.949 1.508 1.00 1.58 O ATOM 0 H SER A 7 -23.030 1.295 3.964 1.00 1.06 H new ATOM 0 HA SER A 7 -20.946 1.441 1.917 1.00 0.91 H new ATOM 0 HB2 SER A 7 -23.121 2.755 1.821 1.00 1.01 H new ATOM 0 HB3 SER A 7 -22.567 3.645 3.225 1.00 1.01 H new ATOM 0 HG SER A 7 -22.027 4.713 1.240 1.00 1.58 H new ATOM 90 N PHE A 8 -19.177 1.648 3.569 1.00 0.75 N ATOM 91 CA PHE A 8 -18.009 1.933 4.339 1.00 0.70 C ATOM 92 C PHE A 8 -17.076 2.749 3.487 1.00 0.53 C ATOM 93 O PHE A 8 -16.846 2.434 2.318 1.00 0.54 O ATOM 94 CB PHE A 8 -17.325 0.638 4.788 1.00 0.85 C ATOM 95 CG PHE A 8 -18.188 -0.238 5.646 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.485 -1.530 5.258 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.712 0.238 6.834 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.285 -2.333 6.041 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.513 -0.559 7.619 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.799 -1.848 7.221 1.00 0.96 C ATOM 0 H PHE A 8 -19.041 0.928 2.859 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.284 2.488 5.236 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.017 0.076 3.906 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.418 0.889 5.338 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.086 -1.915 4.331 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.490 1.247 7.149 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.508 -3.342 5.729 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -19.917 -0.176 8.545 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.426 -2.476 7.836 1.00 0.96 H new ATOM 110 N CYS A 9 -16.558 3.782 4.057 1.00 0.49 N ATOM 111 CA CYS A 9 -15.688 4.704 3.375 1.00 0.44 C ATOM 112 C CYS A 9 -14.257 4.164 3.422 1.00 0.37 C ATOM 113 O CYS A 9 -14.065 3.013 3.755 1.00 0.40 O ATOM 114 CB CYS A 9 -15.821 6.039 4.072 1.00 0.62 C ATOM 115 SG CYS A 9 -17.568 6.510 4.299 1.00 1.32 S ATOM 0 H CYS A 9 -16.726 4.023 5.034 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.952 4.824 2.324 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.327 5.994 5.043 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.310 6.806 3.490 1.00 0.62 H new ATOM 120 N ALA A 10 -13.261 4.962 3.119 1.00 0.35 N ATOM 121 CA ALA A 10 -11.915 4.426 3.065 1.00 0.35 C ATOM 122 C ALA A 10 -11.205 4.616 4.376 1.00 0.29 C ATOM 123 O ALA A 10 -11.137 5.726 4.900 1.00 0.34 O ATOM 124 CB ALA A 10 -11.110 5.074 1.948 1.00 0.45 C ATOM 0 H ALA A 10 -13.347 5.957 2.911 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.000 3.358 2.862 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.105 4.652 1.932 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.598 4.886 0.992 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.050 6.149 2.119 1.00 0.45 H new ATOM 130 N SER A 11 -10.728 3.534 4.915 1.00 0.27 N ATOM 131 CA SER A 11 -9.945 3.553 6.105 1.00 0.27 C ATOM 132 C SER A 11 -8.665 2.771 5.823 1.00 0.23 C ATOM 133 O SER A 11 -8.715 1.660 5.281 1.00 0.25 O ATOM 134 CB SER A 11 -10.742 2.949 7.271 1.00 0.37 C ATOM 135 OG SER A 11 -10.069 3.112 8.512 1.00 1.19 O ATOM 0 H SER A 11 -10.877 2.601 4.531 1.00 0.27 H new ATOM 0 HA SER A 11 -9.690 4.572 6.395 1.00 0.27 H new ATOM 0 HB2 SER A 11 -11.722 3.422 7.325 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.910 1.888 7.085 1.00 0.37 H new ATOM 0 HG SER A 11 -10.607 2.717 9.230 1.00 1.19 H new ATOM 141 N VAL A 12 -7.535 3.357 6.140 1.00 0.23 N ATOM 142 CA VAL A 12 -6.243 2.771 5.822 1.00 0.22 C ATOM 143 C VAL A 12 -5.443 2.524 7.084 1.00 0.24 C ATOM 144 O VAL A 12 -5.360 3.396 7.951 1.00 0.29 O ATOM 145 CB VAL A 12 -5.415 3.715 4.888 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.061 3.133 4.571 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.133 3.963 3.600 1.00 0.27 C ATOM 0 H VAL A 12 -7.479 4.253 6.625 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.432 1.826 5.312 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.288 4.653 5.429 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.515 3.816 3.920 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.502 2.987 5.495 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.186 2.174 4.068 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.535 4.622 2.971 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.293 3.016 3.085 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.095 4.432 3.804 1.00 0.27 H new ATOM 157 N GLN A 13 -4.886 1.342 7.189 1.00 0.24 N ATOM 158 CA GLN A 13 -3.988 0.999 8.258 1.00 0.29 C ATOM 159 C GLN A 13 -2.728 0.370 7.687 1.00 0.26 C ATOM 160 O GLN A 13 -2.781 -0.629 6.943 1.00 0.32 O ATOM 161 CB GLN A 13 -4.643 0.079 9.296 1.00 0.40 C ATOM 162 CG GLN A 13 -5.341 -1.124 8.707 1.00 0.68 C ATOM 163 CD GLN A 13 -5.911 -2.050 9.751 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.370 -2.178 10.845 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.007 -2.682 9.439 1.00 2.06 N ATOM 0 H GLN A 13 -5.047 0.584 6.525 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.724 1.917 8.782 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -3.879 -0.264 9.994 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -5.365 0.657 9.873 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.145 -0.786 8.053 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -4.636 -1.677 8.086 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.428 -2.550 8.519 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.444 -3.309 10.115 1.00 2.06 H new ATOM 174 N LEU A 14 -1.617 0.968 7.986 1.00 0.28 N ATOM 175 CA LEU A 14 -0.344 0.485 7.528 1.00 0.25 C ATOM 176 C LEU A 14 0.386 -0.184 8.645 1.00 0.25 C ATOM 177 O LEU A 14 0.235 0.198 9.808 1.00 0.33 O ATOM 178 CB LEU A 14 0.480 1.610 6.924 1.00 0.24 C ATOM 179 CG LEU A 14 0.059 2.043 5.525 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.719 3.335 5.148 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.467 0.989 4.539 1.00 0.25 C ATOM 0 H LEU A 14 -1.563 1.811 8.558 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.514 -0.252 6.743 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.426 2.474 7.586 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.524 1.298 6.892 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.022 2.180 5.515 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.404 3.625 4.146 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.432 4.111 5.858 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.802 3.209 5.166 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.168 1.294 3.536 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.549 0.859 4.572 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.019 0.047 4.792 1.00 0.25 H new ATOM 193 N HIS A 15 1.177 -1.163 8.309 1.00 0.21 N ATOM 194 CA HIS A 15 1.879 -1.944 9.287 1.00 0.24 C ATOM 195 C HIS A 15 3.320 -2.054 8.887 1.00 0.21 C ATOM 196 O HIS A 15 3.649 -1.987 7.698 1.00 0.22 O ATOM 197 CB HIS A 15 1.255 -3.350 9.428 1.00 0.34 C ATOM 198 CG HIS A 15 -0.148 -3.358 9.978 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.421 -3.432 11.318 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.355 -3.289 9.358 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.723 -3.405 11.507 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.319 -3.320 10.335 1.00 0.83 N ATOM 0 H HIS A 15 1.354 -1.443 7.344 1.00 0.21 H new ATOM 0 HA HIS A 15 1.802 -1.448 10.255 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.251 -3.832 8.450 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.890 -3.952 10.078 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.525 -3.222 8.294 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.221 -3.446 12.465 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.326 -3.283 10.180 1.00 0.83 H new ATOM 211 N THR A 16 4.155 -2.179 9.897 1.00 0.26 N ATOM 212 CA THR A 16 5.593 -2.258 9.794 1.00 0.29 C ATOM 213 C THR A 16 6.033 -3.286 8.759 1.00 0.25 C ATOM 214 O THR A 16 5.488 -4.401 8.698 1.00 0.27 O ATOM 215 CB THR A 16 6.166 -2.650 11.176 1.00 0.38 C ATOM 216 OG1 THR A 16 5.686 -1.726 12.167 1.00 0.49 O ATOM 217 CG2 THR A 16 7.682 -2.625 11.170 1.00 0.47 C ATOM 0 H THR A 16 3.829 -2.231 10.862 1.00 0.26 H new ATOM 0 HA THR A 16 5.968 -1.285 9.476 1.00 0.29 H new ATOM 0 HB THR A 16 5.838 -3.663 11.407 1.00 0.38 H new ATOM 0 HG1 THR A 16 6.045 -1.972 13.045 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.054 -2.905 12.155 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.055 -3.330 10.427 1.00 0.47 H new ATOM 0 HG23 THR A 16 8.028 -1.621 10.923 1.00 0.47 H new ATOM 225 N ALA A 17 7.009 -2.880 7.942 1.00 0.28 N ATOM 226 CA ALA A 17 7.601 -3.728 6.941 1.00 0.30 C ATOM 227 C ALA A 17 8.129 -4.971 7.609 1.00 0.35 C ATOM 228 O ALA A 17 8.748 -4.892 8.682 1.00 0.40 O ATOM 229 CB ALA A 17 8.736 -2.996 6.240 1.00 0.37 C ATOM 0 H ALA A 17 7.405 -1.940 7.969 1.00 0.28 H new ATOM 0 HA ALA A 17 6.850 -3.997 6.198 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.177 -3.647 5.485 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.348 -2.096 5.762 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.497 -2.720 6.970 1.00 0.37 H new ATOM 235 N VAL A 18 7.919 -6.086 7.000 1.00 0.38 N ATOM 236 CA VAL A 18 8.306 -7.318 7.605 1.00 0.48 C ATOM 237 C VAL A 18 9.711 -7.681 7.188 1.00 0.56 C ATOM 238 O VAL A 18 10.077 -7.598 6.005 1.00 0.52 O ATOM 239 CB VAL A 18 7.303 -8.477 7.314 1.00 0.54 C ATOM 240 CG1 VAL A 18 5.941 -8.163 7.907 1.00 0.57 C ATOM 241 CG2 VAL A 18 7.164 -8.740 5.828 1.00 0.52 C ATOM 0 H VAL A 18 7.481 -6.173 6.083 1.00 0.38 H new ATOM 0 HA VAL A 18 8.286 -7.173 8.685 1.00 0.48 H new ATOM 0 HB VAL A 18 7.704 -9.376 7.782 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.254 -8.982 7.694 1.00 0.57 H new ATOM 0 HG12 VAL A 18 6.034 -8.038 8.986 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.556 -7.243 7.467 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.457 -9.554 5.667 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.801 -7.840 5.332 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.134 -9.015 5.415 1.00 0.52 H new ATOM 251 N GLU A 19 10.501 -8.017 8.174 1.00 0.72 N ATOM 252 CA GLU A 19 11.890 -8.343 7.993 1.00 0.84 C ATOM 253 C GLU A 19 12.037 -9.718 7.366 1.00 0.84 C ATOM 254 O GLU A 19 12.048 -10.731 8.069 1.00 0.96 O ATOM 255 CB GLU A 19 12.607 -8.325 9.347 1.00 1.06 C ATOM 256 CG GLU A 19 12.600 -6.991 10.074 1.00 1.72 C ATOM 257 CD GLU A 19 13.317 -5.902 9.323 1.00 2.02 C ATOM 258 OE1 GLU A 19 14.540 -5.994 9.158 1.00 2.52 O ATOM 259 OE2 GLU A 19 12.666 -4.931 8.872 1.00 2.38 O ATOM 0 H GLU A 19 10.190 -8.073 9.144 1.00 0.72 H new ATOM 0 HA GLU A 19 12.336 -7.602 7.330 1.00 0.84 H new ATOM 0 HB2 GLU A 19 12.146 -9.073 9.992 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.642 -8.630 9.194 1.00 1.06 H new ATOM 0 HG2 GLU A 19 11.568 -6.685 10.248 1.00 1.72 H new ATOM 0 HG3 GLU A 19 13.065 -7.115 11.052 1.00 1.72 H new ATOM 266 N MET A 20 12.105 -9.767 6.068 1.00 0.79 N ATOM 267 CA MET A 20 12.311 -11.019 5.379 1.00 0.84 C ATOM 268 C MET A 20 13.420 -10.870 4.369 1.00 0.81 C ATOM 269 O MET A 20 14.101 -9.835 4.338 1.00 0.84 O ATOM 270 CB MET A 20 11.042 -11.514 4.655 1.00 0.88 C ATOM 271 CG MET A 20 9.849 -11.828 5.538 1.00 0.88 C ATOM 272 SD MET A 20 8.490 -12.584 4.603 1.00 0.88 S ATOM 273 CE MET A 20 8.166 -11.331 3.358 1.00 0.58 C ATOM 0 H MET A 20 12.021 -8.954 5.458 1.00 0.79 H new ATOM 0 HA MET A 20 12.574 -11.757 6.137 1.00 0.84 H new ATOM 0 HB2 MET A 20 10.743 -10.756 3.931 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.297 -12.411 4.091 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.157 -12.502 6.338 1.00 0.88 H new ATOM 0 HG3 MET A 20 9.497 -10.911 6.011 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.094 -11.275 3.169 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.523 -10.364 3.713 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.684 -11.592 2.435 1.00 0.58 H new ATOM 283 N HIS A 21 13.612 -11.879 3.541 1.00 0.92 N ATOM 284 CA HIS A 21 14.591 -11.792 2.462 1.00 1.01 C ATOM 285 C HIS A 21 14.101 -10.814 1.402 1.00 0.82 C ATOM 286 O HIS A 21 14.886 -10.230 0.661 1.00 0.95 O ATOM 287 CB HIS A 21 14.887 -13.166 1.845 1.00 1.24 C ATOM 288 CG HIS A 21 15.593 -14.112 2.775 1.00 1.65 C ATOM 289 ND1 HIS A 21 15.018 -15.260 3.264 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.841 -14.073 3.298 1.00 2.19 C ATOM 291 CE1 HIS A 21 15.876 -15.876 4.046 1.00 2.75 C ATOM 292 NE2 HIS A 21 16.985 -15.179 4.080 1.00 2.66 N ATOM 0 H HIS A 21 13.109 -12.765 3.590 1.00 0.92 H new ATOM 0 HA HIS A 21 15.528 -11.426 2.882 1.00 1.01 H new ATOM 0 HB2 HIS A 21 13.949 -13.619 1.525 1.00 1.24 H new ATOM 0 HB3 HIS A 21 15.496 -13.029 0.951 1.00 1.24 H new ATOM 0 HD2 HIS A 21 17.584 -13.308 3.127 1.00 2.19 H new ATOM 0 HE1 HIS A 21 15.697 -16.802 4.573 1.00 2.75 H new ATOM 0 HE2 HIS A 21 17.822 -15.425 4.608 1.00 2.66 H new ATOM 301 N HIS A 22 12.803 -10.654 1.341 1.00 0.67 N ATOM 302 CA HIS A 22 12.191 -9.680 0.479 1.00 0.59 C ATOM 303 C HIS A 22 11.401 -8.703 1.296 1.00 0.49 C ATOM 304 O HIS A 22 10.794 -9.074 2.312 1.00 0.57 O ATOM 305 CB HIS A 22 11.318 -10.314 -0.594 1.00 0.76 C ATOM 306 CG HIS A 22 12.094 -10.871 -1.733 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.255 -10.202 -2.915 1.00 1.52 N ATOM 308 CD2 HIS A 22 12.761 -12.032 -1.869 1.00 2.11 C ATOM 309 CE1 HIS A 22 12.983 -10.919 -3.729 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.308 -12.040 -3.119 1.00 2.46 N ATOM 0 H HIS A 22 12.140 -11.199 1.891 1.00 0.67 H new ATOM 0 HA HIS A 22 12.992 -9.155 -0.042 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.724 -11.110 -0.145 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.619 -9.568 -0.971 1.00 0.76 H new ATOM 0 HD2 HIS A 22 12.847 -12.812 -1.127 1.00 2.11 H new ATOM 0 HE1 HIS A 22 13.270 -10.640 -4.732 1.00 2.06 H new ATOM 0 HE2 HIS A 22 13.875 -12.790 -3.515 1.00 2.46 H new ATOM 319 N TRP A 23 11.414 -7.471 0.873 1.00 0.41 N ATOM 320 CA TRP A 23 10.745 -6.420 1.581 1.00 0.36 C ATOM 321 C TRP A 23 9.277 -6.360 1.249 1.00 0.32 C ATOM 322 O TRP A 23 8.879 -6.256 0.077 1.00 0.44 O ATOM 323 CB TRP A 23 11.434 -5.081 1.362 1.00 0.43 C ATOM 324 CG TRP A 23 12.810 -5.053 1.945 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.991 -4.947 1.277 1.00 0.52 C ATOM 326 CD2 TRP A 23 13.142 -5.173 3.332 1.00 0.56 C ATOM 327 NE1 TRP A 23 15.036 -4.971 2.172 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.538 -5.113 3.435 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.387 -5.317 4.499 1.00 0.70 C ATOM 330 CZ2 TRP A 23 15.201 -5.193 4.658 1.00 0.73 C ATOM 331 CZ3 TRP A 23 13.040 -5.398 5.703 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.435 -5.335 5.777 1.00 0.86 C ATOM 0 H TRP A 23 11.891 -7.167 0.024 1.00 0.41 H new ATOM 0 HA TRP A 23 10.813 -6.651 2.644 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.490 -4.873 0.293 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.835 -4.288 1.810 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.093 -4.858 0.206 1.00 0.52 H new ATOM 0 HE1 TRP A 23 16.024 -4.895 1.930 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.309 -5.364 4.454 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 16.278 -5.144 4.717 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 12.466 -5.513 6.611 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.916 -5.400 6.742 1.00 0.86 H new ATOM 343 N CYS A 24 8.485 -6.442 2.280 1.00 0.27 N ATOM 344 CA CYS A 24 7.059 -6.447 2.172 1.00 0.25 C ATOM 345 C CYS A 24 6.474 -5.520 3.233 1.00 0.23 C ATOM 346 O CYS A 24 6.773 -5.664 4.423 1.00 0.25 O ATOM 347 CB CYS A 24 6.549 -7.898 2.354 1.00 0.28 C ATOM 348 SG CYS A 24 4.730 -8.142 2.289 1.00 0.30 S ATOM 0 H CYS A 24 8.824 -6.509 3.240 1.00 0.27 H new ATOM 0 HA CYS A 24 6.745 -6.088 1.192 1.00 0.25 H new ATOM 0 HB2 CYS A 24 7.004 -8.519 1.582 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.909 -8.268 3.314 1.00 0.28 H new ATOM 353 N ILE A 25 5.727 -4.531 2.788 1.00 0.20 N ATOM 354 CA ILE A 25 5.006 -3.629 3.665 1.00 0.19 C ATOM 355 C ILE A 25 3.512 -3.978 3.570 1.00 0.18 C ATOM 356 O ILE A 25 2.852 -3.627 2.574 1.00 0.18 O ATOM 357 CB ILE A 25 5.202 -2.143 3.248 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.699 -1.781 3.219 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.445 -1.218 4.208 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.993 -0.365 2.757 1.00 0.30 C ATOM 0 H ILE A 25 5.601 -4.328 1.796 1.00 0.20 H new ATOM 0 HA ILE A 25 5.385 -3.744 4.681 1.00 0.19 H new ATOM 0 HB ILE A 25 4.798 -2.009 2.244 1.00 0.21 H new ATOM 0 HG12 ILE A 25 7.113 -1.917 4.218 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.217 -2.480 2.562 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.591 -0.181 3.905 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.382 -1.458 4.182 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.823 -1.356 5.221 1.00 0.22 H new ATOM 0 HD11 ILE A 25 8.070 -0.195 2.767 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.613 -0.226 1.745 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.508 0.345 3.427 1.00 0.30 H new ATOM 372 N PRO A 26 2.970 -4.711 4.550 1.00 0.20 N ATOM 373 CA PRO A 26 1.570 -5.132 4.535 1.00 0.21 C ATOM 374 C PRO A 26 0.608 -3.988 4.873 1.00 0.21 C ATOM 375 O PRO A 26 0.766 -3.288 5.895 1.00 0.23 O ATOM 376 CB PRO A 26 1.498 -6.225 5.623 1.00 0.25 C ATOM 377 CG PRO A 26 2.911 -6.452 6.064 1.00 0.28 C ATOM 378 CD PRO A 26 3.655 -5.190 5.754 1.00 0.24 C ATOM 0 HA PRO A 26 1.270 -5.477 3.546 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.874 -5.906 6.458 1.00 0.25 H new ATOM 0 HB3 PRO A 26 1.059 -7.141 5.229 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.954 -6.677 7.130 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.350 -7.301 5.540 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.593 -4.470 6.570 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.714 -5.376 5.573 1.00 0.24 H new ATOM 386 N PHE A 27 -0.387 -3.804 4.035 1.00 0.23 N ATOM 387 CA PHE A 27 -1.363 -2.773 4.251 1.00 0.25 C ATOM 388 C PHE A 27 -2.752 -3.347 4.228 1.00 0.25 C ATOM 389 O PHE A 27 -3.000 -4.406 3.621 1.00 0.30 O ATOM 390 CB PHE A 27 -1.243 -1.626 3.220 1.00 0.27 C ATOM 391 CG PHE A 27 -1.501 -1.991 1.776 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.783 -1.895 1.222 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.462 -2.407 0.966 1.00 0.32 C ATOM 394 CE1 PHE A 27 -2.997 -2.215 -0.098 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.679 -2.725 -0.354 1.00 0.36 C ATOM 396 CZ PHE A 27 -1.944 -2.630 -0.886 1.00 0.37 C ATOM 0 H PHE A 27 -0.538 -4.361 3.194 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.166 -2.349 5.236 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -1.941 -0.838 3.503 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.240 -1.205 3.292 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.609 -1.567 1.835 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.535 -2.483 1.375 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -3.989 -2.141 -0.518 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.144 -3.050 -0.973 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.113 -2.881 -1.923 1.00 0.37 H new ATOM 406 N SER A 28 -3.637 -2.696 4.907 1.00 0.25 N ATOM 407 CA SER A 28 -5.007 -3.057 4.893 1.00 0.28 C ATOM 408 C SER A 28 -5.849 -1.797 4.729 1.00 0.24 C ATOM 409 O SER A 28 -5.667 -0.803 5.452 1.00 0.27 O ATOM 410 CB SER A 28 -5.366 -3.824 6.166 1.00 0.41 C ATOM 411 OG SER A 28 -4.535 -4.977 6.307 1.00 0.88 O ATOM 0 H SER A 28 -3.422 -1.889 5.493 1.00 0.25 H new ATOM 0 HA SER A 28 -5.213 -3.720 4.053 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.248 -3.175 7.034 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.413 -4.125 6.133 1.00 0.41 H new ATOM 0 HG SER A 28 -4.988 -5.756 5.922 1.00 0.88 H new ATOM 417 N VAL A 29 -6.707 -1.820 3.765 1.00 0.23 N ATOM 418 CA VAL A 29 -7.584 -0.721 3.471 1.00 0.21 C ATOM 419 C VAL A 29 -9.001 -1.242 3.422 1.00 0.21 C ATOM 420 O VAL A 29 -9.284 -2.198 2.726 1.00 0.27 O ATOM 421 CB VAL A 29 -7.168 0.011 2.141 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.880 -0.988 1.035 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.259 0.974 1.682 1.00 0.26 C ATOM 0 H VAL A 29 -6.826 -2.618 3.142 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.510 0.032 4.256 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.261 0.576 2.353 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.595 -0.455 0.128 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.066 -1.645 1.341 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.772 -1.583 0.841 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.946 1.466 0.761 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.181 0.421 1.502 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.431 1.724 2.454 1.00 0.26 H new ATOM 433 N ASP A 30 -9.860 -0.663 4.191 1.00 0.27 N ATOM 434 CA ASP A 30 -11.217 -1.139 4.272 1.00 0.35 C ATOM 435 C ASP A 30 -12.192 -0.128 3.760 1.00 0.37 C ATOM 436 O ASP A 30 -11.933 1.088 3.821 1.00 0.48 O ATOM 437 CB ASP A 30 -11.583 -1.594 5.693 1.00 0.51 C ATOM 438 CG ASP A 30 -11.499 -0.511 6.741 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.415 -0.286 7.310 1.00 1.39 O ATOM 440 OD2 ASP A 30 -12.517 0.181 6.977 1.00 1.30 O ATOM 0 H ASP A 30 -9.654 0.145 4.779 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.281 -2.013 3.624 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.597 -1.993 5.683 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -10.922 -2.411 5.980 1.00 0.51 H new ATOM 445 N GLY A 31 -13.284 -0.635 3.224 1.00 0.37 N ATOM 446 CA GLY A 31 -14.332 0.172 2.687 1.00 0.42 C ATOM 447 C GLY A 31 -15.121 -0.591 1.654 1.00 0.46 C ATOM 448 O GLY A 31 -14.959 -1.810 1.520 1.00 0.60 O ATOM 0 H GLY A 31 -13.460 -1.637 3.154 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.994 0.497 3.490 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.911 1.071 2.238 1.00 0.42 H new ATOM 452 N GLN A 32 -16.006 0.089 0.967 1.00 0.55 N ATOM 453 CA GLN A 32 -16.752 -0.511 -0.128 1.00 0.64 C ATOM 454 C GLN A 32 -16.500 0.184 -1.461 1.00 0.61 C ATOM 455 O GLN A 32 -16.087 -0.485 -2.403 1.00 0.68 O ATOM 456 CB GLN A 32 -18.235 -0.746 0.187 1.00 0.76 C ATOM 457 CG GLN A 32 -18.468 -1.968 1.062 1.00 0.99 C ATOM 458 CD GLN A 32 -18.091 -3.267 0.354 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.926 -3.892 -0.303 1.00 2.42 O ATOM 460 NE2 GLN A 32 -16.840 -3.668 0.446 1.00 2.61 N ATOM 0 H GLN A 32 -16.233 1.067 1.144 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.347 -1.516 -0.246 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.639 0.135 0.686 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.785 -0.864 -0.747 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -17.884 -1.873 1.978 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.517 -2.008 1.355 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -16.171 -3.130 0.997 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -16.540 -4.517 -0.034 1.00 2.61 H new ATOM 469 N PRO A 33 -16.744 1.522 -1.602 1.00 0.59 N ATOM 470 CA PRO A 33 -16.327 2.237 -2.804 1.00 0.62 C ATOM 471 C PRO A 33 -14.810 2.119 -2.938 1.00 0.53 C ATOM 472 O PRO A 33 -14.069 2.506 -2.012 1.00 0.44 O ATOM 473 CB PRO A 33 -16.732 3.693 -2.522 1.00 0.67 C ATOM 474 CG PRO A 33 -17.819 3.591 -1.520 1.00 0.78 C ATOM 475 CD PRO A 33 -17.474 2.410 -0.671 1.00 0.63 C ATOM 0 HA PRO A 33 -16.771 1.857 -3.724 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.892 4.271 -2.138 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.074 4.192 -3.429 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -17.886 4.499 -0.920 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.787 3.457 -2.004 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -16.856 2.694 0.181 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.366 1.928 -0.271 1.00 0.63 H new ATOM 483 N ALA A 34 -14.367 1.544 -4.048 1.00 0.62 N ATOM 484 CA ALA A 34 -12.965 1.271 -4.286 1.00 0.60 C ATOM 485 C ALA A 34 -12.139 2.543 -4.266 1.00 0.52 C ATOM 486 O ALA A 34 -12.340 3.442 -5.091 1.00 0.63 O ATOM 487 CB ALA A 34 -12.780 0.529 -5.597 1.00 0.78 C ATOM 0 H ALA A 34 -14.979 1.254 -4.811 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.609 0.635 -3.475 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.720 0.333 -5.758 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.322 -0.416 -5.560 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.165 1.136 -6.416 1.00 0.78 H new ATOM 493 N PRO A 35 -11.222 2.660 -3.312 1.00 0.39 N ATOM 494 CA PRO A 35 -10.397 3.826 -3.195 1.00 0.35 C ATOM 495 C PRO A 35 -9.163 3.738 -4.082 1.00 0.41 C ATOM 496 O PRO A 35 -8.702 2.639 -4.443 1.00 0.56 O ATOM 497 CB PRO A 35 -9.997 3.808 -1.727 1.00 0.29 C ATOM 498 CG PRO A 35 -9.913 2.359 -1.370 1.00 0.31 C ATOM 499 CD PRO A 35 -10.918 1.654 -2.253 1.00 0.37 C ATOM 0 HA PRO A 35 -10.910 4.736 -3.505 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.042 4.309 -1.571 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.732 4.325 -1.111 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -8.907 1.973 -1.538 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.142 2.203 -0.316 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.506 0.738 -2.677 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.813 1.374 -1.697 1.00 0.37 H new ATOM 507 N SER A 36 -8.671 4.864 -4.471 1.00 0.39 N ATOM 508 CA SER A 36 -7.458 4.930 -5.206 1.00 0.44 C ATOM 509 C SER A 36 -6.290 4.874 -4.234 1.00 0.37 C ATOM 510 O SER A 36 -6.054 5.822 -3.482 1.00 0.41 O ATOM 511 CB SER A 36 -7.456 6.204 -6.041 1.00 0.57 C ATOM 512 OG SER A 36 -8.004 7.291 -5.294 1.00 1.37 O ATOM 0 H SER A 36 -9.103 5.769 -4.286 1.00 0.39 H new ATOM 0 HA SER A 36 -7.363 4.086 -5.889 1.00 0.44 H new ATOM 0 HB2 SER A 36 -6.438 6.443 -6.349 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.036 6.051 -6.951 1.00 0.57 H new ATOM 0 HG SER A 36 -7.633 7.284 -4.387 1.00 1.37 H new ATOM 518 N LEU A 37 -5.626 3.739 -4.198 1.00 0.33 N ATOM 519 CA LEU A 37 -4.502 3.544 -3.321 1.00 0.30 C ATOM 520 C LEU A 37 -3.286 4.157 -3.930 1.00 0.32 C ATOM 521 O LEU A 37 -2.878 3.789 -5.039 1.00 0.50 O ATOM 522 CB LEU A 37 -4.267 2.063 -3.058 1.00 0.32 C ATOM 523 CG LEU A 37 -5.399 1.332 -2.352 1.00 0.32 C ATOM 524 CD1 LEU A 37 -5.088 -0.145 -2.256 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.602 1.916 -0.971 1.00 0.27 C ATOM 0 H LEU A 37 -5.853 2.930 -4.776 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.715 4.026 -2.367 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.078 1.569 -4.011 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.362 1.958 -2.460 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.316 1.456 -2.928 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.906 -0.657 -1.749 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.968 -0.557 -3.258 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.166 -0.287 -1.692 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.414 1.389 -0.469 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.685 1.807 -0.391 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.853 2.973 -1.056 1.00 0.27 H new ATOM 537 N ARG A 38 -2.730 5.088 -3.245 1.00 0.23 N ATOM 538 CA ARG A 38 -1.599 5.786 -3.734 1.00 0.23 C ATOM 539 C ARG A 38 -0.583 5.984 -2.641 1.00 0.22 C ATOM 540 O ARG A 38 -0.918 6.382 -1.541 1.00 0.26 O ATOM 541 CB ARG A 38 -2.056 7.112 -4.357 1.00 0.28 C ATOM 542 CG ARG A 38 -0.959 7.981 -4.957 1.00 0.33 C ATOM 543 CD ARG A 38 0.014 7.186 -5.818 1.00 1.28 C ATOM 544 NE ARG A 38 -0.652 6.230 -6.713 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.025 5.262 -7.392 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.304 5.245 -7.464 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.732 4.318 -8.019 1.00 3.78 N ATOM 0 H ARG A 38 -3.049 5.389 -2.324 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.107 5.200 -4.510 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.785 6.892 -5.137 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.573 7.691 -3.592 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.413 8.767 -5.560 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.410 8.472 -4.154 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.610 7.877 -6.414 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.705 6.646 -5.170 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.663 6.310 -6.825 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.849 5.972 -7.000 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.777 4.505 -7.983 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.751 4.334 -7.981 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.253 3.581 -8.536 1.00 3.78 H new ATOM 561 N TRP A 39 0.639 5.666 -2.947 1.00 0.22 N ATOM 562 CA TRP A 39 1.719 5.816 -2.026 1.00 0.22 C ATOM 563 C TRP A 39 2.403 7.142 -2.255 1.00 0.20 C ATOM 564 O TRP A 39 2.750 7.493 -3.394 1.00 0.26 O ATOM 565 CB TRP A 39 2.727 4.693 -2.208 1.00 0.25 C ATOM 566 CG TRP A 39 2.173 3.331 -1.981 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.602 2.512 -2.911 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.144 2.622 -0.746 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.217 1.339 -2.326 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.538 1.379 -0.996 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.576 2.920 0.550 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.349 0.436 0.001 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.388 1.980 1.538 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.782 0.751 1.257 1.00 0.26 C ATOM 0 H TRP A 39 0.915 5.291 -3.855 1.00 0.22 H new ATOM 0 HA TRP A 39 1.321 5.778 -1.012 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.132 4.744 -3.219 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.559 4.853 -1.523 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.473 2.755 -3.955 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.764 0.560 -2.803 1.00 0.29 H new ATOM 0 HE3 TRP A 39 3.047 3.867 0.771 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.877 -0.513 -0.207 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.713 2.195 2.545 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.653 0.033 2.054 1.00 0.26 H new ATOM 585 N LEU A 40 2.568 7.875 -1.215 1.00 0.25 N ATOM 586 CA LEU A 40 3.259 9.116 -1.272 1.00 0.24 C ATOM 587 C LEU A 40 4.450 8.989 -0.358 1.00 0.27 C ATOM 588 O LEU A 40 4.317 8.551 0.788 1.00 0.34 O ATOM 589 CB LEU A 40 2.354 10.253 -0.803 1.00 0.31 C ATOM 590 CG LEU A 40 2.824 11.669 -1.095 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.751 11.942 -2.583 1.00 0.66 C ATOM 592 CD2 LEU A 40 1.991 12.671 -0.328 1.00 0.95 C ATOM 0 H LEU A 40 2.223 7.629 -0.287 1.00 0.25 H new ATOM 0 HA LEU A 40 3.567 9.344 -2.292 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.375 10.119 -1.262 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.217 10.156 0.274 1.00 0.31 H new ATOM 0 HG LEU A 40 3.860 11.770 -0.772 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.089 12.959 -2.783 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.389 11.236 -3.114 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.722 11.828 -2.924 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.341 13.680 -0.548 1.00 0.95 H new ATOM 0 HD22 LEU A 40 0.946 12.577 -0.623 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.085 12.480 0.741 1.00 0.95 H new ATOM 604 N PHE A 41 5.594 9.315 -0.852 1.00 0.28 N ATOM 605 CA PHE A 41 6.790 9.203 -0.088 1.00 0.35 C ATOM 606 C PHE A 41 7.358 10.575 0.201 1.00 0.38 C ATOM 607 O PHE A 41 8.016 11.189 -0.656 1.00 0.41 O ATOM 608 CB PHE A 41 7.823 8.313 -0.806 1.00 0.45 C ATOM 609 CG PHE A 41 9.154 8.269 -0.107 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.262 8.850 -0.677 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.291 7.624 1.113 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.484 8.792 -0.056 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.513 7.564 1.743 1.00 0.74 C ATOM 614 CZ PHE A 41 11.594 8.226 1.199 1.00 0.86 C ATOM 0 H PHE A 41 5.728 9.668 -1.800 1.00 0.28 H new ATOM 0 HA PHE A 41 6.549 8.725 0.862 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.428 7.300 -0.885 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.965 8.680 -1.822 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.169 9.358 -1.625 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.429 7.164 1.574 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.360 9.189 -0.548 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.625 7.002 2.658 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.520 8.301 1.750 1.00 0.86 H new ATOM 624 N ASN A 42 7.057 11.058 1.394 1.00 0.46 N ATOM 625 CA ASN A 42 7.583 12.313 1.940 1.00 0.57 C ATOM 626 C ASN A 42 7.350 13.487 0.969 1.00 0.53 C ATOM 627 O ASN A 42 8.253 14.258 0.650 1.00 0.69 O ATOM 628 CB ASN A 42 9.078 12.136 2.307 1.00 0.73 C ATOM 629 CG ASN A 42 9.683 13.303 3.076 1.00 1.12 C ATOM 630 OD1 ASN A 42 8.997 14.022 3.821 1.00 1.79 O ATOM 631 ND2 ASN A 42 10.964 13.492 2.924 1.00 1.72 N ATOM 0 H ASN A 42 6.422 10.580 2.034 1.00 0.46 H new ATOM 0 HA ASN A 42 7.041 12.561 2.852 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.188 11.229 2.902 1.00 0.73 H new ATOM 0 HB3 ASN A 42 9.649 11.987 1.390 1.00 0.73 H new ATOM 0 HD21 ASN A 42 11.431 14.248 3.425 1.00 1.72 H new ATOM 0 HD22 ASN A 42 11.499 12.884 2.304 1.00 1.72 H new ATOM 638 N GLY A 43 6.130 13.579 0.476 1.00 0.45 N ATOM 639 CA GLY A 43 5.768 14.636 -0.442 1.00 0.51 C ATOM 640 C GLY A 43 5.909 14.245 -1.907 1.00 0.47 C ATOM 641 O GLY A 43 5.252 14.825 -2.770 1.00 0.61 O ATOM 0 H GLY A 43 5.373 12.932 0.698 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.737 14.934 -0.252 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.393 15.507 -0.245 1.00 0.51 H new ATOM 645 N SER A 44 6.719 13.255 -2.183 1.00 0.38 N ATOM 646 CA SER A 44 6.990 12.834 -3.542 1.00 0.40 C ATOM 647 C SER A 44 6.091 11.665 -3.894 1.00 0.33 C ATOM 648 O SER A 44 5.787 10.818 -3.050 1.00 0.28 O ATOM 649 CB SER A 44 8.486 12.462 -3.685 1.00 0.51 C ATOM 650 OG SER A 44 8.845 12.160 -5.034 1.00 1.37 O ATOM 0 H SER A 44 7.212 12.714 -1.473 1.00 0.38 H new ATOM 0 HA SER A 44 6.780 13.648 -4.235 1.00 0.40 H new ATOM 0 HB2 SER A 44 9.099 13.288 -3.325 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.706 11.602 -3.052 1.00 0.51 H new ATOM 0 HG SER A 44 9.797 11.933 -5.076 1.00 1.37 H new ATOM 656 N VAL A 45 5.658 11.640 -5.119 1.00 0.41 N ATOM 657 CA VAL A 45 4.765 10.632 -5.603 1.00 0.41 C ATOM 658 C VAL A 45 5.522 9.349 -5.855 1.00 0.39 C ATOM 659 O VAL A 45 6.446 9.312 -6.671 1.00 0.45 O ATOM 660 CB VAL A 45 4.062 11.100 -6.907 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.214 10.004 -7.494 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.198 12.298 -6.635 1.00 0.70 C ATOM 0 H VAL A 45 5.920 12.332 -5.821 1.00 0.41 H new ATOM 0 HA VAL A 45 4.002 10.455 -4.845 1.00 0.41 H new ATOM 0 HB VAL A 45 4.841 11.363 -7.623 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.736 10.363 -8.405 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.842 9.144 -7.728 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.450 9.710 -6.774 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.712 12.614 -7.558 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.439 12.039 -5.896 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.814 13.112 -6.253 1.00 0.70 H new ATOM 672 N LEU A 46 5.161 8.308 -5.155 1.00 0.37 N ATOM 673 CA LEU A 46 5.787 7.048 -5.384 1.00 0.40 C ATOM 674 C LEU A 46 5.104 6.411 -6.569 1.00 0.44 C ATOM 675 O LEU A 46 3.872 6.221 -6.565 1.00 0.51 O ATOM 676 CB LEU A 46 5.678 6.127 -4.167 1.00 0.44 C ATOM 677 CG LEU A 46 6.445 4.800 -4.274 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.946 5.029 -4.220 1.00 0.57 C ATOM 679 CD2 LEU A 46 5.997 3.818 -3.210 1.00 0.61 C ATOM 0 H LEU A 46 4.444 8.313 -4.430 1.00 0.37 H new ATOM 0 HA LEU A 46 6.849 7.203 -5.572 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.039 6.666 -3.291 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.625 5.905 -3.993 1.00 0.44 H new ATOM 0 HG LEU A 46 6.213 4.360 -5.244 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.463 4.073 -4.298 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.246 5.672 -5.047 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.207 5.507 -3.276 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.558 2.889 -3.313 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.177 4.244 -2.223 1.00 0.61 H new ATOM 0 HD23 LEU A 46 4.933 3.614 -3.328 1.00 0.61 H new ATOM 691 N ASN A 47 5.857 6.135 -7.588 1.00 0.54 N ATOM 692 CA ASN A 47 5.310 5.504 -8.753 1.00 0.59 C ATOM 693 C ASN A 47 5.798 4.077 -8.792 1.00 0.53 C ATOM 694 O ASN A 47 6.949 3.793 -8.410 1.00 0.64 O ATOM 695 CB ASN A 47 5.675 6.251 -10.065 1.00 0.79 C ATOM 696 CG ASN A 47 7.161 6.262 -10.410 1.00 1.54 C ATOM 697 OD1 ASN A 47 7.669 5.359 -11.088 1.00 2.47 O ATOM 698 ND2 ASN A 47 7.857 7.293 -9.996 1.00 1.94 N ATOM 0 H ASN A 47 6.856 6.337 -7.639 1.00 0.54 H new ATOM 0 HA ASN A 47 4.222 5.533 -8.686 1.00 0.59 H new ATOM 0 HB2 ASN A 47 5.130 5.793 -10.890 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.328 7.281 -9.987 1.00 0.79 H new ATOM 0 HD21 ASN A 47 8.847 7.368 -10.231 1.00 1.94 H new ATOM 0 HD22 ASN A 47 7.409 8.020 -9.439 1.00 1.94 H new ATOM 705 N GLU A 48 4.929 3.185 -9.169 1.00 0.49 N ATOM 706 CA GLU A 48 5.235 1.785 -9.257 1.00 0.53 C ATOM 707 C GLU A 48 6.207 1.544 -10.398 1.00 0.53 C ATOM 708 O GLU A 48 5.818 1.425 -11.572 1.00 0.70 O ATOM 709 CB GLU A 48 3.962 0.921 -9.440 1.00 0.69 C ATOM 710 CG GLU A 48 2.853 1.161 -8.407 1.00 0.74 C ATOM 711 CD GLU A 48 1.900 2.283 -8.786 1.00 1.12 C ATOM 712 OE1 GLU A 48 2.360 3.424 -8.995 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.679 2.060 -8.861 1.00 1.74 O ATOM 0 H GLU A 48 3.970 3.413 -9.429 1.00 0.49 H new ATOM 0 HA GLU A 48 5.694 1.484 -8.316 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.556 1.107 -10.434 1.00 0.69 H new ATOM 0 HB3 GLU A 48 4.248 -0.130 -9.404 1.00 0.69 H new ATOM 0 HG2 GLU A 48 2.284 0.241 -8.277 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.309 1.392 -7.444 1.00 0.74 H new ATOM 720 N THR A 49 7.458 1.549 -10.062 1.00 0.53 N ATOM 721 CA THR A 49 8.503 1.328 -11.000 1.00 0.58 C ATOM 722 C THR A 49 8.785 -0.178 -11.085 1.00 0.60 C ATOM 723 O THR A 49 8.157 -0.951 -10.361 1.00 0.65 O ATOM 724 CB THR A 49 9.783 2.146 -10.609 1.00 0.71 C ATOM 725 OG1 THR A 49 10.795 2.032 -11.609 1.00 1.57 O ATOM 726 CG2 THR A 49 10.350 1.687 -9.281 1.00 0.98 C ATOM 0 H THR A 49 7.784 1.710 -9.109 1.00 0.53 H new ATOM 0 HA THR A 49 8.197 1.679 -11.986 1.00 0.58 H new ATOM 0 HB THR A 49 9.475 3.188 -10.524 1.00 0.71 H new ATOM 0 HG1 THR A 49 11.580 2.553 -11.340 1.00 1.57 H new ATOM 0 HG21 THR A 49 11.236 2.275 -9.041 1.00 0.98 H new ATOM 0 HG22 THR A 49 9.602 1.822 -8.500 1.00 0.98 H new ATOM 0 HG23 THR A 49 10.620 0.633 -9.346 1.00 0.98 H new ATOM 734 N SER A 50 9.712 -0.576 -11.922 1.00 0.68 N ATOM 735 CA SER A 50 10.040 -1.979 -12.179 1.00 0.78 C ATOM 736 C SER A 50 10.236 -2.805 -10.877 1.00 0.72 C ATOM 737 O SER A 50 9.789 -3.957 -10.782 1.00 0.86 O ATOM 738 CB SER A 50 11.307 -2.032 -13.054 1.00 0.96 C ATOM 739 OG SER A 50 11.699 -3.349 -13.376 1.00 1.52 O ATOM 0 H SER A 50 10.281 0.075 -12.463 1.00 0.68 H new ATOM 0 HA SER A 50 9.197 -2.436 -12.697 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.130 -1.476 -13.975 1.00 0.96 H new ATOM 0 HB3 SER A 50 12.124 -1.533 -12.532 1.00 0.96 H new ATOM 0 HG SER A 50 12.505 -3.324 -13.932 1.00 1.52 H new ATOM 745 N PHE A 51 10.820 -2.196 -9.864 1.00 0.64 N ATOM 746 CA PHE A 51 11.165 -2.934 -8.669 1.00 0.68 C ATOM 747 C PHE A 51 10.319 -2.549 -7.464 1.00 0.55 C ATOM 748 O PHE A 51 10.549 -3.041 -6.366 1.00 0.61 O ATOM 749 CB PHE A 51 12.657 -2.807 -8.373 1.00 0.87 C ATOM 750 CG PHE A 51 13.506 -3.278 -9.518 1.00 1.08 C ATOM 751 CD1 PHE A 51 13.624 -4.628 -9.802 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.211 -2.372 -10.290 1.00 1.16 C ATOM 753 CE1 PHE A 51 14.427 -5.061 -10.836 1.00 1.59 C ATOM 754 CE2 PHE A 51 15.013 -2.801 -11.328 1.00 1.37 C ATOM 755 CZ PHE A 51 15.028 -4.151 -11.668 1.00 1.52 C ATOM 0 H PHE A 51 11.062 -1.205 -9.845 1.00 0.64 H new ATOM 0 HA PHE A 51 10.938 -3.982 -8.866 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.894 -1.766 -8.152 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.899 -3.386 -7.482 1.00 0.87 H new ATOM 0 HD1 PHE A 51 13.082 -5.349 -9.208 1.00 1.39 H new ATOM 0 HD2 PHE A 51 14.133 -1.316 -10.078 1.00 1.16 H new ATOM 0 HE1 PHE A 51 14.583 -6.118 -10.991 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.624 -2.096 -11.872 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.508 -4.479 -12.578 1.00 1.52 H new ATOM 765 N ILE A 52 9.331 -1.705 -7.672 1.00 0.46 N ATOM 766 CA ILE A 52 8.433 -1.298 -6.596 1.00 0.39 C ATOM 767 C ILE A 52 7.033 -1.622 -7.061 1.00 0.37 C ATOM 768 O ILE A 52 6.483 -0.938 -7.915 1.00 0.43 O ATOM 769 CB ILE A 52 8.553 0.233 -6.264 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.002 0.578 -5.862 1.00 0.46 C ATOM 771 CG2 ILE A 52 7.586 0.630 -5.138 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.230 2.034 -5.476 1.00 0.50 C ATOM 0 H ILE A 52 9.123 -1.283 -8.577 1.00 0.46 H new ATOM 0 HA ILE A 52 8.692 -1.827 -5.679 1.00 0.39 H new ATOM 0 HB ILE A 52 8.286 0.796 -7.158 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.292 -0.055 -5.023 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.663 0.329 -6.692 1.00 0.46 H new ATOM 0 HG21 ILE A 52 7.689 1.695 -4.928 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.562 0.419 -5.446 1.00 0.41 H new ATOM 0 HG23 ILE A 52 7.819 0.059 -4.240 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.277 2.180 -5.209 1.00 0.50 H new ATOM 0 HD12 ILE A 52 9.977 2.678 -6.318 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.600 2.287 -4.624 1.00 0.50 H new ATOM 784 N PHE A 53 6.464 -2.650 -6.508 1.00 0.33 N ATOM 785 CA PHE A 53 5.208 -3.155 -6.996 1.00 0.37 C ATOM 786 C PHE A 53 4.199 -3.255 -5.862 1.00 0.31 C ATOM 787 O PHE A 53 4.540 -3.666 -4.749 1.00 0.29 O ATOM 788 CB PHE A 53 5.471 -4.541 -7.618 1.00 0.48 C ATOM 789 CG PHE A 53 4.311 -5.168 -8.334 1.00 1.06 C ATOM 790 CD1 PHE A 53 4.040 -4.830 -9.644 1.00 1.95 C ATOM 791 CD2 PHE A 53 3.510 -6.107 -7.707 1.00 1.15 C ATOM 792 CE1 PHE A 53 2.986 -5.415 -10.318 1.00 2.87 C ATOM 793 CE2 PHE A 53 2.454 -6.694 -8.372 1.00 2.02 C ATOM 794 CZ PHE A 53 2.191 -6.348 -9.682 1.00 2.89 C ATOM 0 H PHE A 53 6.849 -3.161 -5.714 1.00 0.33 H new ATOM 0 HA PHE A 53 4.791 -2.481 -7.744 1.00 0.37 H new ATOM 0 HB2 PHE A 53 6.301 -4.452 -8.319 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.794 -5.218 -6.827 1.00 0.48 H new ATOM 0 HD1 PHE A 53 4.658 -4.101 -10.147 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.715 -6.384 -6.683 1.00 1.15 H new ATOM 0 HE1 PHE A 53 2.783 -5.143 -11.343 1.00 2.87 H new ATOM 0 HE2 PHE A 53 1.835 -7.422 -7.869 1.00 2.02 H new ATOM 0 HZ PHE A 53 1.366 -6.805 -10.208 1.00 2.89 H new ATOM 804 N THR A 54 2.976 -2.864 -6.122 1.00 0.35 N ATOM 805 CA THR A 54 1.940 -3.001 -5.136 1.00 0.35 C ATOM 806 C THR A 54 1.254 -4.342 -5.383 1.00 0.35 C ATOM 807 O THR A 54 0.558 -4.512 -6.385 1.00 0.40 O ATOM 808 CB THR A 54 0.912 -1.867 -5.268 1.00 0.39 C ATOM 809 OG1 THR A 54 1.607 -0.608 -5.371 1.00 0.43 O ATOM 810 CG2 THR A 54 0.012 -1.826 -4.044 1.00 0.44 C ATOM 0 H THR A 54 2.677 -2.450 -7.005 1.00 0.35 H new ATOM 0 HA THR A 54 2.366 -2.953 -4.134 1.00 0.35 H new ATOM 0 HB THR A 54 0.306 -2.043 -6.157 1.00 0.39 H new ATOM 0 HG1 THR A 54 0.956 0.119 -5.457 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.711 -1.018 -4.151 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.516 -2.775 -3.948 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.617 -1.656 -3.153 1.00 0.44 H new ATOM 818 N GLU A 55 1.460 -5.281 -4.506 1.00 0.36 N ATOM 819 CA GLU A 55 0.948 -6.601 -4.708 1.00 0.42 C ATOM 820 C GLU A 55 -0.271 -6.809 -3.827 1.00 0.44 C ATOM 821 O GLU A 55 -0.291 -6.380 -2.672 1.00 0.57 O ATOM 822 CB GLU A 55 2.049 -7.625 -4.424 1.00 0.60 C ATOM 823 CG GLU A 55 1.702 -9.034 -4.838 1.00 1.21 C ATOM 824 CD GLU A 55 2.863 -9.981 -4.712 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.564 -10.226 -5.711 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.102 -10.508 -3.630 1.00 2.04 O ATOM 0 H GLU A 55 1.983 -5.154 -3.639 1.00 0.36 H new ATOM 0 HA GLU A 55 0.634 -6.734 -5.743 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.958 -7.319 -4.943 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.272 -7.616 -3.357 1.00 0.60 H new ATOM 0 HG2 GLU A 55 0.876 -9.395 -4.225 1.00 1.21 H new ATOM 0 HG3 GLU A 55 1.354 -9.029 -5.871 1.00 1.21 H new ATOM 833 N PHE A 56 -1.289 -7.409 -4.374 1.00 0.52 N ATOM 834 CA PHE A 56 -2.521 -7.619 -3.660 1.00 0.62 C ATOM 835 C PHE A 56 -2.806 -9.092 -3.547 1.00 0.73 C ATOM 836 O PHE A 56 -2.371 -9.889 -4.386 1.00 0.87 O ATOM 837 CB PHE A 56 -3.696 -6.945 -4.384 1.00 0.68 C ATOM 838 CG PHE A 56 -3.595 -5.454 -4.516 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.017 -4.629 -3.495 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.091 -4.881 -5.672 1.00 0.61 C ATOM 841 CE1 PHE A 56 -3.941 -3.260 -3.623 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.008 -3.512 -5.804 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.435 -2.699 -4.777 1.00 0.61 C ATOM 0 H PHE A 56 -1.291 -7.768 -5.329 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.412 -7.181 -2.668 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.783 -7.377 -5.381 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.616 -7.185 -3.851 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.411 -5.060 -2.587 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.759 -5.516 -6.480 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.278 -2.624 -2.818 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.610 -3.078 -6.709 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.374 -1.625 -4.875 1.00 0.61 H new ATOM 853 N LEU A 57 -3.513 -9.453 -2.520 1.00 0.77 N ATOM 854 CA LEU A 57 -3.951 -10.806 -2.338 1.00 0.93 C ATOM 855 C LEU A 57 -5.449 -10.800 -2.537 1.00 1.04 C ATOM 856 O LEU A 57 -6.052 -9.721 -2.548 1.00 1.04 O ATOM 857 CB LEU A 57 -3.515 -11.345 -0.935 1.00 1.01 C ATOM 858 CG LEU A 57 -4.046 -10.651 0.340 1.00 0.99 C ATOM 859 CD1 LEU A 57 -5.476 -11.079 0.664 1.00 1.25 C ATOM 860 CD2 LEU A 57 -3.124 -10.926 1.516 1.00 1.16 C ATOM 0 H LEU A 57 -3.805 -8.815 -1.780 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.492 -11.485 -3.056 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -3.806 -12.394 -0.882 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -2.426 -11.314 -0.896 1.00 1.01 H new ATOM 0 HG LEU A 57 -4.063 -9.578 0.150 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -5.813 -10.569 1.567 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -6.131 -10.817 -0.167 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -5.506 -12.157 0.823 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -3.512 -10.430 2.406 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -3.071 -12.000 1.693 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -2.127 -10.545 1.294 1.00 1.16 H new ATOM 872 N GLU A 58 -6.041 -11.952 -2.714 1.00 1.18 N ATOM 873 CA GLU A 58 -7.461 -12.054 -2.955 1.00 1.31 C ATOM 874 C GLU A 58 -8.235 -11.899 -1.641 1.00 1.24 C ATOM 875 O GLU A 58 -8.176 -12.796 -0.777 1.00 1.32 O ATOM 876 CB GLU A 58 -7.773 -13.409 -3.570 1.00 1.61 C ATOM 877 CG GLU A 58 -9.230 -13.586 -3.945 1.00 2.01 C ATOM 878 CD GLU A 58 -9.531 -14.963 -4.446 1.00 2.65 C ATOM 879 OE1 GLU A 58 -9.988 -15.819 -3.651 1.00 3.36 O ATOM 880 OE2 GLU A 58 -9.296 -15.238 -5.635 1.00 2.90 O ATOM 0 H GLU A 58 -5.554 -12.848 -2.696 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.762 -11.260 -3.639 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -7.159 -13.544 -4.460 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.490 -14.192 -2.866 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -9.853 -13.375 -3.076 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -9.495 -12.858 -4.712 1.00 2.01 H new ATOM 887 N PRO A 59 -8.954 -10.779 -1.450 1.00 1.21 N ATOM 888 CA PRO A 59 -9.724 -10.552 -0.245 1.00 1.25 C ATOM 889 C PRO A 59 -11.007 -11.360 -0.270 1.00 1.26 C ATOM 890 O PRO A 59 -11.647 -11.514 -1.326 1.00 1.35 O ATOM 891 CB PRO A 59 -10.050 -9.041 -0.281 1.00 1.37 C ATOM 892 CG PRO A 59 -9.329 -8.499 -1.471 1.00 1.39 C ATOM 893 CD PRO A 59 -9.101 -9.663 -2.385 1.00 1.30 C ATOM 0 HA PRO A 59 -9.183 -10.848 0.654 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -11.124 -8.874 -0.365 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -9.721 -8.548 0.634 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -9.918 -7.726 -1.964 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -8.384 -8.042 -1.179 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.938 -9.813 -3.067 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.210 -9.528 -2.999 1.00 1.30 H new ATOM 901 N ALA A 60 -11.356 -11.903 0.859 1.00 1.29 N ATOM 902 CA ALA A 60 -12.566 -12.653 0.999 1.00 1.40 C ATOM 903 C ALA A 60 -13.702 -11.687 1.147 1.00 1.40 C ATOM 904 O ALA A 60 -13.532 -10.607 1.710 1.00 1.33 O ATOM 905 CB ALA A 60 -12.486 -13.533 2.229 1.00 1.53 C ATOM 0 H ALA A 60 -10.804 -11.837 1.714 1.00 1.29 H new ATOM 0 HA ALA A 60 -12.717 -13.285 0.124 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.410 -14.102 2.330 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.646 -14.221 2.130 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.344 -12.911 3.113 1.00 1.53 H new ATOM 911 N ALA A 61 -14.862 -12.079 0.653 1.00 1.55 N ATOM 912 CA ALA A 61 -16.067 -11.252 0.688 1.00 1.65 C ATOM 913 C ALA A 61 -16.574 -11.093 2.113 1.00 1.59 C ATOM 914 O ALA A 61 -17.451 -10.275 2.396 1.00 1.70 O ATOM 915 CB ALA A 61 -17.132 -11.861 -0.185 1.00 1.91 C ATOM 0 H ALA A 61 -15.002 -12.988 0.211 1.00 1.55 H new ATOM 0 HA ALA A 61 -15.819 -10.261 0.307 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -18.027 -11.240 -0.154 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -16.769 -11.924 -1.211 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -17.372 -12.861 0.177 1.00 1.91 H new ATOM 921 N ASN A 62 -16.036 -11.914 2.985 1.00 1.52 N ATOM 922 CA ASN A 62 -16.298 -11.857 4.404 1.00 1.56 C ATOM 923 C ASN A 62 -15.697 -10.596 5.008 1.00 1.33 C ATOM 924 O ASN A 62 -16.188 -10.079 6.007 1.00 1.40 O ATOM 925 CB ASN A 62 -15.733 -13.108 5.090 1.00 1.82 C ATOM 926 CG ASN A 62 -15.895 -13.102 6.600 1.00 2.72 C ATOM 927 OD1 ASN A 62 -15.000 -12.670 7.339 1.00 3.49 O ATOM 928 ND2 ASN A 62 -17.025 -13.561 7.065 1.00 3.19 N ATOM 0 H ASN A 62 -15.389 -12.657 2.721 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.376 -11.827 4.562 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -16.229 -13.990 4.684 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -14.674 -13.198 4.847 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -17.196 -13.572 8.071 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -17.737 -13.908 6.423 1.00 3.19 H new ATOM 935 N GLU A 63 -14.659 -10.082 4.386 1.00 1.20 N ATOM 936 CA GLU A 63 -14.025 -8.894 4.871 1.00 1.07 C ATOM 937 C GLU A 63 -14.391 -7.721 4.001 1.00 0.90 C ATOM 938 O GLU A 63 -14.515 -7.847 2.780 1.00 0.97 O ATOM 939 CB GLU A 63 -12.503 -9.016 4.874 1.00 1.16 C ATOM 940 CG GLU A 63 -11.931 -10.083 5.773 1.00 1.31 C ATOM 941 CD GLU A 63 -10.428 -9.997 5.826 1.00 1.42 C ATOM 942 OE1 GLU A 63 -9.882 -9.388 6.739 1.00 1.48 O ATOM 943 OE2 GLU A 63 -9.751 -10.551 4.939 1.00 1.89 O ATOM 0 H GLU A 63 -14.241 -10.475 3.542 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.372 -8.748 5.894 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.171 -9.211 3.854 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.081 -8.055 5.168 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.340 -9.975 6.777 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.230 -11.067 5.411 1.00 1.31 H new ATOM 950 N THR A 64 -14.554 -6.590 4.615 1.00 0.80 N ATOM 951 CA THR A 64 -14.725 -5.361 3.893 1.00 0.74 C ATOM 952 C THR A 64 -13.376 -4.658 3.847 1.00 0.59 C ATOM 953 O THR A 64 -13.279 -3.458 3.597 1.00 0.61 O ATOM 954 CB THR A 64 -15.794 -4.461 4.559 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.514 -4.305 5.967 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.184 -5.060 4.378 1.00 1.15 C ATOM 0 H THR A 64 -14.573 -6.490 5.630 1.00 0.80 H new ATOM 0 HA THR A 64 -15.077 -5.570 2.883 1.00 0.74 H new ATOM 0 HB THR A 64 -15.763 -3.483 4.078 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.197 -3.732 6.375 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.923 -4.414 4.852 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.407 -5.147 3.315 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.217 -6.048 4.837 1.00 1.15 H new ATOM 964 N VAL A 65 -12.340 -5.444 4.106 1.00 0.53 N ATOM 965 CA VAL A 65 -10.989 -4.988 4.161 1.00 0.45 C ATOM 966 C VAL A 65 -10.201 -5.619 3.023 1.00 0.42 C ATOM 967 O VAL A 65 -10.211 -6.839 2.846 1.00 0.49 O ATOM 968 CB VAL A 65 -10.293 -5.391 5.484 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.961 -4.696 5.620 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.172 -5.144 6.697 1.00 0.61 C ATOM 0 H VAL A 65 -12.437 -6.443 4.287 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.012 -3.901 4.087 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.116 -6.466 5.442 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.489 -4.994 6.557 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.318 -4.975 4.785 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.112 -3.616 5.617 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.639 -5.443 7.600 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.421 -4.084 6.756 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.088 -5.727 6.607 1.00 0.61 H new ATOM 980 N ARG A 66 -9.524 -4.805 2.294 1.00 0.37 N ATOM 981 CA ARG A 66 -8.691 -5.222 1.210 1.00 0.36 C ATOM 982 C ARG A 66 -7.282 -5.346 1.763 1.00 0.34 C ATOM 983 O ARG A 66 -6.812 -4.452 2.486 1.00 0.41 O ATOM 984 CB ARG A 66 -8.751 -4.160 0.120 1.00 0.42 C ATOM 985 CG ARG A 66 -7.992 -4.473 -1.153 1.00 1.13 C ATOM 986 CD ARG A 66 -8.085 -3.309 -2.136 1.00 1.10 C ATOM 987 NE ARG A 66 -9.483 -2.956 -2.450 1.00 0.82 N ATOM 988 CZ ARG A 66 -9.939 -2.552 -3.646 1.00 1.15 C ATOM 989 NH1 ARG A 66 -9.120 -2.480 -4.687 1.00 1.61 N ATOM 990 NH2 ARG A 66 -11.229 -2.253 -3.795 1.00 1.84 N ATOM 0 H ARG A 66 -9.531 -3.795 2.436 1.00 0.37 H new ATOM 0 HA ARG A 66 -9.011 -6.173 0.784 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.797 -3.989 -0.136 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.366 -3.226 0.529 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.947 -4.675 -0.919 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -8.396 -5.376 -1.611 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -7.578 -2.440 -1.717 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -7.562 -3.570 -3.056 1.00 1.10 H new ATOM 0 HE ARG A 66 -10.162 -3.025 -1.692 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -8.137 -2.732 -4.581 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -9.473 -2.172 -5.593 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -11.866 -2.332 -3.002 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -11.580 -1.946 -4.702 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.624 -6.435 1.471 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.303 -6.678 2.019 1.00 0.39 C ATOM 1006 C HIS A 67 -4.297 -6.809 0.906 1.00 0.35 C ATOM 1007 O HIS A 67 -4.604 -7.377 -0.153 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.274 -7.952 2.890 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.177 -7.930 4.092 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.778 -7.485 5.327 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.468 -8.320 4.240 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.775 -7.601 6.178 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.811 -8.105 5.545 1.00 0.90 N ATOM 0 H HIS A 67 -6.974 -7.171 0.858 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.047 -5.827 2.650 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.546 -8.804 2.267 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.251 -8.118 3.228 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.106 -8.725 3.469 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.747 -7.328 7.222 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.721 -8.303 5.960 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.127 -6.282 1.125 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.084 -6.373 0.154 1.00 0.31 C ATOM 1024 C GLY A 68 -0.766 -6.025 0.770 1.00 0.24 C ATOM 1025 O GLY A 68 -0.689 -5.792 1.989 1.00 0.26 O ATOM 0 H GLY A 68 -2.873 -5.781 1.977 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.046 -7.383 -0.255 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.293 -5.700 -0.678 1.00 0.31 H new ATOM 1029 N CYS A 69 0.250 -5.951 -0.037 1.00 0.21 N ATOM 1030 CA CYS A 69 1.565 -5.627 0.422 1.00 0.20 C ATOM 1031 C CYS A 69 2.347 -4.867 -0.644 1.00 0.19 C ATOM 1032 O CYS A 69 2.305 -5.209 -1.831 1.00 0.22 O ATOM 1033 CB CYS A 69 2.326 -6.901 0.812 1.00 0.25 C ATOM 1034 SG CYS A 69 4.076 -6.583 1.192 1.00 0.36 S ATOM 0 H CYS A 69 0.187 -6.116 -1.042 1.00 0.21 H new ATOM 0 HA CYS A 69 1.463 -4.988 1.299 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.847 -7.355 1.679 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.260 -7.622 -0.002 1.00 0.25 H new ATOM 1039 N LEU A 70 3.026 -3.819 -0.237 1.00 0.20 N ATOM 1040 CA LEU A 70 3.916 -3.118 -1.128 1.00 0.22 C ATOM 1041 C LEU A 70 5.226 -3.871 -1.107 1.00 0.23 C ATOM 1042 O LEU A 70 5.883 -3.958 -0.059 1.00 0.24 O ATOM 1043 CB LEU A 70 4.138 -1.667 -0.677 1.00 0.24 C ATOM 1044 CG LEU A 70 5.041 -0.808 -1.582 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.425 -0.619 -2.954 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.326 0.537 -0.946 1.00 0.28 C ATOM 0 H LEU A 70 2.978 -3.434 0.707 1.00 0.20 H new ATOM 0 HA LEU A 70 3.490 -3.075 -2.130 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.166 -1.179 -0.599 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.569 -1.681 0.324 1.00 0.24 H new ATOM 0 HG LEU A 70 5.984 -1.341 -1.702 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.086 -0.009 -3.569 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.285 -1.591 -3.427 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.460 -0.121 -2.854 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.966 1.123 -1.606 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.388 1.068 -0.783 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.829 0.388 0.009 1.00 0.28 H new ATOM 1058 N ARG A 71 5.582 -4.448 -2.216 1.00 0.30 N ATOM 1059 CA ARG A 71 6.761 -5.260 -2.283 1.00 0.35 C ATOM 1060 C ARG A 71 7.790 -4.661 -3.184 1.00 0.36 C ATOM 1061 O ARG A 71 7.519 -4.330 -4.345 1.00 0.42 O ATOM 1062 CB ARG A 71 6.425 -6.712 -2.645 1.00 0.51 C ATOM 1063 CG ARG A 71 5.736 -7.421 -1.498 1.00 1.20 C ATOM 1064 CD ARG A 71 5.325 -8.843 -1.802 1.00 1.20 C ATOM 1065 NE ARG A 71 4.841 -9.512 -0.575 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.553 -10.813 -0.470 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.310 -11.517 -1.548 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.368 -11.364 0.721 1.00 2.68 N ATOM 0 H ARG A 71 5.068 -4.370 -3.094 1.00 0.30 H new ATOM 0 HA ARG A 71 7.204 -5.286 -1.287 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.782 -6.730 -3.525 1.00 0.51 H new ATOM 0 HB3 ARG A 71 7.339 -7.244 -2.907 1.00 0.51 H new ATOM 0 HG2 ARG A 71 6.403 -7.424 -0.636 1.00 1.20 H new ATOM 0 HG3 ARG A 71 4.851 -6.852 -1.214 1.00 1.20 H new ATOM 0 HD2 ARG A 71 4.542 -8.848 -2.560 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.171 -9.393 -2.214 1.00 1.20 H new ATOM 0 HE ARG A 71 4.717 -8.935 0.257 1.00 1.43 H new ATOM 0 HH11 ARG A 71 4.341 -11.072 -2.465 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.090 -12.510 -1.470 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.445 -10.795 1.564 1.00 2.68 H new ATOM 0 HH22 ARG A 71 4.148 -12.357 0.795 1.00 2.68 H new ATOM 1082 N LEU A 72 8.953 -4.481 -2.637 1.00 0.37 N ATOM 1083 CA LEU A 72 10.037 -3.900 -3.353 1.00 0.42 C ATOM 1084 C LEU A 72 11.093 -4.957 -3.579 1.00 0.44 C ATOM 1085 O LEU A 72 11.741 -5.416 -2.639 1.00 0.49 O ATOM 1086 CB LEU A 72 10.608 -2.651 -2.624 1.00 0.50 C ATOM 1087 CG LEU A 72 9.592 -1.502 -2.340 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.715 -1.738 -1.104 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.271 -0.180 -2.249 1.00 0.61 C ATOM 0 H LEU A 72 9.174 -4.736 -1.674 1.00 0.37 H new ATOM 0 HA LEU A 72 9.680 -3.543 -4.319 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.037 -2.973 -1.675 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.425 -2.247 -3.222 1.00 0.50 H new ATOM 0 HG LEU A 72 8.921 -1.499 -3.199 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.036 -0.896 -0.974 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.137 -2.653 -1.237 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.348 -1.833 -0.222 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.532 0.596 -2.050 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.001 -0.201 -1.440 1.00 0.61 H new ATOM 0 HD23 LEU A 72 10.778 0.034 -3.190 1.00 0.61 H new ATOM 1101 N ASN A 73 11.224 -5.362 -4.840 1.00 0.56 N ATOM 1102 CA ASN A 73 12.129 -6.452 -5.256 1.00 0.72 C ATOM 1103 C ASN A 73 13.573 -6.095 -4.983 1.00 0.73 C ATOM 1104 O ASN A 73 14.382 -6.951 -4.606 1.00 0.87 O ATOM 1105 CB ASN A 73 11.918 -6.790 -6.750 1.00 0.90 C ATOM 1106 CG ASN A 73 12.808 -7.930 -7.265 1.00 1.41 C ATOM 1107 OD1 ASN A 73 13.918 -7.707 -7.762 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.330 -9.150 -7.173 1.00 1.84 N ATOM 0 H ASN A 73 10.706 -4.946 -5.614 1.00 0.56 H new ATOM 0 HA ASN A 73 11.889 -7.336 -4.666 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.874 -7.059 -6.907 1.00 0.90 H new ATOM 0 HB3 ASN A 73 12.110 -5.897 -7.344 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.877 -9.939 -7.516 1.00 1.84 H new ATOM 0 HD22 ASN A 73 11.411 -9.308 -6.759 1.00 1.84 H new ATOM 1115 N GLN A 74 13.891 -4.844 -5.143 1.00 0.66 N ATOM 1116 CA GLN A 74 15.212 -4.369 -4.877 1.00 0.72 C ATOM 1117 C GLN A 74 15.129 -3.187 -3.955 1.00 0.66 C ATOM 1118 O GLN A 74 14.460 -2.203 -4.276 1.00 0.69 O ATOM 1119 CB GLN A 74 15.947 -3.971 -6.160 1.00 0.86 C ATOM 1120 CG GLN A 74 16.154 -5.110 -7.137 1.00 1.58 C ATOM 1121 CD GLN A 74 16.957 -4.705 -8.345 1.00 2.11 C ATOM 1122 OE1 GLN A 74 16.934 -3.550 -8.760 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.652 -5.645 -8.933 1.00 2.58 N ATOM 0 H GLN A 74 13.240 -4.126 -5.462 1.00 0.66 H new ATOM 0 HA GLN A 74 15.777 -5.177 -4.413 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.386 -3.179 -6.656 1.00 0.86 H new ATOM 0 HB3 GLN A 74 16.919 -3.554 -5.894 1.00 0.86 H new ATOM 0 HG2 GLN A 74 16.660 -5.931 -6.629 1.00 1.58 H new ATOM 0 HG3 GLN A 74 15.183 -5.485 -7.461 1.00 1.58 H new ATOM 0 HE21 GLN A 74 17.646 -6.594 -8.558 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.200 -5.429 -9.766 1.00 2.58 H new ATOM 1132 N PRO A 75 15.742 -3.279 -2.773 1.00 0.75 N ATOM 1133 CA PRO A 75 15.793 -2.166 -1.867 1.00 0.84 C ATOM 1134 C PRO A 75 16.747 -1.113 -2.424 1.00 0.81 C ATOM 1135 O PRO A 75 17.823 -1.440 -2.949 1.00 0.83 O ATOM 1136 CB PRO A 75 16.342 -2.763 -0.565 1.00 1.06 C ATOM 1137 CG PRO A 75 17.081 -3.985 -0.980 1.00 1.25 C ATOM 1138 CD PRO A 75 16.415 -4.477 -2.236 1.00 0.93 C ATOM 0 HA PRO A 75 14.828 -1.683 -1.717 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.999 -2.059 -0.055 1.00 1.06 H new ATOM 0 HB3 PRO A 75 15.536 -3.006 0.128 1.00 1.06 H new ATOM 0 HG2 PRO A 75 18.132 -3.761 -1.160 1.00 1.25 H new ATOM 0 HG3 PRO A 75 17.046 -4.744 -0.199 1.00 1.25 H new ATOM 0 HD2 PRO A 75 17.142 -4.878 -2.943 1.00 0.93 H new ATOM 0 HD3 PRO A 75 15.703 -5.274 -2.025 1.00 0.93 H new ATOM 1146 N THR A 76 16.351 0.105 -2.344 1.00 0.86 N ATOM 1147 CA THR A 76 17.111 1.205 -2.857 1.00 0.90 C ATOM 1148 C THR A 76 17.238 2.254 -1.758 1.00 0.84 C ATOM 1149 O THR A 76 16.473 2.245 -0.796 1.00 0.79 O ATOM 1150 CB THR A 76 16.396 1.786 -4.109 1.00 1.07 C ATOM 1151 OG1 THR A 76 14.996 1.984 -3.837 1.00 1.17 O ATOM 1152 CG2 THR A 76 16.547 0.863 -5.312 1.00 1.22 C ATOM 0 H THR A 76 15.469 0.380 -1.911 1.00 0.86 H new ATOM 0 HA THR A 76 18.108 0.882 -3.158 1.00 0.90 H new ATOM 0 HB THR A 76 16.865 2.742 -4.342 1.00 1.07 H new ATOM 0 HG1 THR A 76 14.702 1.344 -3.155 1.00 1.17 H new ATOM 0 HG21 THR A 76 16.036 1.298 -6.171 1.00 1.22 H new ATOM 0 HG22 THR A 76 17.605 0.738 -5.544 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.109 -0.108 -5.083 1.00 1.22 H new ATOM 1160 N HIS A 77 18.209 3.151 -1.895 1.00 0.92 N ATOM 1161 CA HIS A 77 18.510 4.149 -0.851 1.00 0.94 C ATOM 1162 C HIS A 77 17.411 5.206 -0.681 1.00 0.81 C ATOM 1163 O HIS A 77 17.506 6.066 0.178 1.00 0.85 O ATOM 1164 CB HIS A 77 19.918 4.793 -1.022 1.00 1.20 C ATOM 1165 CG HIS A 77 20.107 5.694 -2.220 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.495 5.237 -3.452 1.00 1.98 N ATOM 1167 CD2 HIS A 77 19.972 7.035 -2.350 1.00 1.62 C ATOM 1168 CE1 HIS A 77 20.589 6.246 -4.290 1.00 2.03 C ATOM 1169 NE2 HIS A 77 20.275 7.348 -3.647 1.00 1.72 N ATOM 0 H HIS A 77 18.808 3.215 -2.718 1.00 0.92 H new ATOM 0 HA HIS A 77 18.532 3.586 0.082 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.141 5.369 -0.124 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.655 3.992 -1.078 1.00 1.20 H new ATOM 0 HD2 HIS A 77 19.680 7.728 -1.575 1.00 1.62 H new ATOM 0 HE1 HIS A 77 20.875 6.180 -5.329 1.00 2.03 H new ATOM 0 HE2 HIS A 77 20.260 8.285 -4.050 1.00 1.72 H new ATOM 1178 N VAL A 78 16.402 5.158 -1.540 1.00 0.83 N ATOM 1179 CA VAL A 78 15.242 6.044 -1.431 1.00 0.92 C ATOM 1180 C VAL A 78 14.174 5.413 -0.533 1.00 0.90 C ATOM 1181 O VAL A 78 13.199 6.039 -0.189 1.00 1.08 O ATOM 1182 CB VAL A 78 14.602 6.399 -2.806 1.00 1.15 C ATOM 1183 CG1 VAL A 78 15.573 7.152 -3.692 1.00 1.33 C ATOM 1184 CG2 VAL A 78 14.076 5.160 -3.512 1.00 1.14 C ATOM 0 H VAL A 78 16.360 4.511 -2.327 1.00 0.83 H new ATOM 0 HA VAL A 78 15.613 6.972 -0.995 1.00 0.92 H new ATOM 0 HB VAL A 78 13.755 7.055 -2.606 1.00 1.15 H new ATOM 0 HG11 VAL A 78 15.093 7.383 -4.643 1.00 1.33 H new ATOM 0 HG12 VAL A 78 15.871 8.078 -3.201 1.00 1.33 H new ATOM 0 HG13 VAL A 78 16.455 6.537 -3.871 1.00 1.33 H new ATOM 0 HG21 VAL A 78 13.636 5.445 -4.468 1.00 1.14 H new ATOM 0 HG22 VAL A 78 14.896 4.463 -3.683 1.00 1.14 H new ATOM 0 HG23 VAL A 78 13.318 4.682 -2.892 1.00 1.14 H new ATOM 1194 N ASN A 79 14.376 4.159 -0.178 1.00 0.78 N ATOM 1195 CA ASN A 79 13.412 3.378 0.621 1.00 0.90 C ATOM 1196 C ASN A 79 13.557 3.631 2.107 1.00 0.78 C ATOM 1197 O ASN A 79 13.291 2.754 2.940 1.00 0.96 O ATOM 1198 CB ASN A 79 13.528 1.888 0.317 1.00 1.13 C ATOM 1199 CG ASN A 79 13.193 1.531 -1.121 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.767 0.599 -1.686 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.254 2.224 -1.720 1.00 1.22 N ATOM 0 H ASN A 79 15.215 3.637 -0.431 1.00 0.78 H new ATOM 0 HA ASN A 79 12.417 3.716 0.331 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.544 1.559 0.537 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.864 1.337 0.983 1.00 1.13 H new ATOM 0 HD21 ASN A 79 11.983 1.996 -2.677 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.795 2.991 -1.229 1.00 1.22 H new ATOM 1208 N ASN A 80 14.023 4.805 2.428 1.00 0.64 N ATOM 1209 CA ASN A 80 14.262 5.201 3.790 1.00 0.59 C ATOM 1210 C ASN A 80 13.505 6.470 4.053 1.00 0.56 C ATOM 1211 O ASN A 80 13.910 7.549 3.604 1.00 0.88 O ATOM 1212 CB ASN A 80 15.751 5.446 4.036 1.00 0.72 C ATOM 1213 CG ASN A 80 16.628 4.250 3.742 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.238 3.091 3.910 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.809 4.516 3.287 1.00 1.43 N ATOM 0 H ASN A 80 14.251 5.525 1.742 1.00 0.64 H new ATOM 0 HA ASN A 80 13.931 4.404 4.456 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.078 6.283 3.419 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.893 5.741 5.076 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.449 3.757 3.055 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.100 5.485 3.160 1.00 1.43 H new ATOM 1222 N GLY A 81 12.413 6.350 4.731 1.00 0.46 N ATOM 1223 CA GLY A 81 11.603 7.479 5.040 1.00 0.49 C ATOM 1224 C GLY A 81 10.210 7.050 5.398 1.00 0.43 C ATOM 1225 O GLY A 81 9.978 5.888 5.755 1.00 0.40 O ATOM 0 H GLY A 81 12.056 5.463 5.087 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.043 8.032 5.870 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.572 8.156 4.186 1.00 0.49 H new ATOM 1229 N ASN A 82 9.291 7.940 5.294 1.00 0.45 N ATOM 1230 CA ASN A 82 7.939 7.649 5.662 1.00 0.44 C ATOM 1231 C ASN A 82 7.087 7.427 4.419 1.00 0.37 C ATOM 1232 O ASN A 82 7.018 8.290 3.539 1.00 0.46 O ATOM 1233 CB ASN A 82 7.373 8.788 6.508 1.00 0.56 C ATOM 1234 CG ASN A 82 6.010 8.480 7.074 1.00 1.27 C ATOM 1235 OD1 ASN A 82 4.991 8.764 6.459 1.00 2.23 O ATOM 1236 ND2 ASN A 82 5.983 7.913 8.257 1.00 1.65 N ATOM 0 H ASN A 82 9.446 8.889 4.954 1.00 0.45 H new ATOM 0 HA ASN A 82 7.922 6.734 6.254 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.060 9.002 7.326 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.312 9.690 5.899 1.00 0.56 H new ATOM 0 HD21 ASN A 82 5.089 7.693 8.697 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.856 7.692 8.737 1.00 1.65 H new ATOM 1243 N TYR A 83 6.471 6.280 4.336 1.00 0.29 N ATOM 1244 CA TYR A 83 5.599 5.940 3.227 1.00 0.27 C ATOM 1245 C TYR A 83 4.149 6.128 3.647 1.00 0.28 C ATOM 1246 O TYR A 83 3.672 5.459 4.563 1.00 0.47 O ATOM 1247 CB TYR A 83 5.861 4.485 2.732 1.00 0.34 C ATOM 1248 CG TYR A 83 7.158 4.318 1.944 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.163 4.217 0.554 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.379 4.228 2.604 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.347 4.017 -0.142 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.556 4.043 1.914 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.504 4.096 0.463 1.00 0.60 C ATOM 1254 OH TYR A 83 10.720 3.700 -0.109 1.00 0.69 O ATOM 0 H TYR A 83 6.555 5.544 5.037 1.00 0.29 H new ATOM 0 HA TYR A 83 5.812 6.606 2.391 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.884 3.818 3.594 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.026 4.169 2.107 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.233 4.295 0.011 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.404 4.305 3.681 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.313 3.793 -1.198 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.486 3.865 2.433 1.00 0.55 H new ATOM 0 HH TYR A 83 11.059 4.417 -0.685 1.00 0.69 H new ATOM 1264 N THR A 84 3.477 7.058 3.022 1.00 0.22 N ATOM 1265 CA THR A 84 2.100 7.347 3.335 1.00 0.23 C ATOM 1266 C THR A 84 1.182 6.753 2.270 1.00 0.22 C ATOM 1267 O THR A 84 1.385 6.970 1.077 1.00 0.26 O ATOM 1268 CB THR A 84 1.876 8.883 3.448 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.728 9.420 4.483 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.423 9.227 3.771 1.00 0.33 C ATOM 0 H THR A 84 3.868 7.638 2.280 1.00 0.22 H new ATOM 0 HA THR A 84 1.860 6.893 4.297 1.00 0.23 H new ATOM 0 HB THR A 84 2.121 9.323 2.482 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.377 9.163 5.361 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.312 10.309 3.841 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.225 8.846 2.982 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.144 8.772 4.721 1.00 0.33 H new ATOM 1278 N LEU A 85 0.211 5.995 2.703 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.748 5.403 1.812 1.00 0.19 C ATOM 1280 C LEU A 85 -2.020 6.214 1.852 1.00 0.18 C ATOM 1281 O LEU A 85 -2.614 6.413 2.927 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.036 3.939 2.187 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.048 3.192 1.308 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.573 3.138 -0.111 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.275 1.790 1.823 1.00 0.22 C ATOM 0 H LEU A 85 0.063 5.770 3.687 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.337 5.405 0.802 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.095 3.390 2.165 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.395 3.915 3.216 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.991 3.737 1.347 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.304 2.605 -0.719 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.453 4.152 -0.493 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.616 2.618 -0.155 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.996 1.280 1.184 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.332 1.243 1.816 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.661 1.835 2.842 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.389 6.721 0.718 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.589 7.476 0.557 1.00 0.22 C ATOM 1299 C LEU A 86 -4.611 6.593 -0.103 1.00 0.22 C ATOM 1300 O LEU A 86 -4.274 5.807 -0.995 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.387 8.724 -0.349 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.411 9.829 0.103 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.719 10.318 1.501 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.958 9.412 -0.039 1.00 0.32 C ATOM 0 H LEU A 86 -1.850 6.618 -0.142 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.905 7.817 1.543 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -3.054 8.371 -1.325 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.363 9.187 -0.493 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.563 10.670 -0.574 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.008 11.096 1.779 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.730 10.724 1.530 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.641 9.487 2.202 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.312 10.225 0.292 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.772 8.529 0.572 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.746 9.183 -1.083 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.814 6.683 0.352 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.910 6.009 -0.267 1.00 0.23 C ATOM 1318 C ALA A 87 -8.038 6.986 -0.351 1.00 0.29 C ATOM 1319 O ALA A 87 -8.475 7.508 0.675 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.323 4.801 0.550 1.00 0.24 C ATOM 0 H ALA A 87 -6.070 7.232 1.173 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.629 5.653 -1.258 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.160 4.301 0.062 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.483 4.111 0.629 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.624 5.122 1.547 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.494 7.255 -1.536 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.551 8.212 -1.717 1.00 0.45 C ATOM 1328 C ALA A 88 -10.706 7.604 -2.460 1.00 0.37 C ATOM 1329 O ALA A 88 -10.511 6.895 -3.450 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.034 9.444 -2.450 1.00 0.61 C ATOM 0 H ALA A 88 -8.152 6.826 -2.396 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.905 8.516 -0.732 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.847 10.159 -2.579 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.235 9.904 -1.869 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.650 9.151 -3.427 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.882 7.835 -1.957 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.110 7.413 -2.589 1.00 0.58 C ATOM 1338 C ASN A 89 -14.148 8.512 -2.359 1.00 0.57 C ATOM 1339 O ASN A 89 -13.840 9.427 -1.594 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.591 5.995 -2.104 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.955 5.852 -0.619 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.376 6.793 0.055 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.854 4.640 -0.125 1.00 1.18 N ATOM 0 H ASN A 89 -12.024 8.332 -1.078 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.950 7.282 -3.659 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.462 5.713 -2.695 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.805 5.275 -2.331 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.128 4.458 0.841 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.502 3.880 -0.707 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.357 8.495 -2.978 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.332 9.605 -2.838 1.00 0.68 C ATOM 1352 C PRO A 90 -16.672 9.987 -1.381 1.00 0.56 C ATOM 1353 O PRO A 90 -17.037 11.138 -1.102 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.568 9.086 -3.561 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.034 8.120 -4.556 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.874 7.450 -3.889 1.00 0.74 C ATOM 0 HA PRO A 90 -15.921 10.527 -3.249 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.260 8.604 -2.870 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.114 9.895 -4.046 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.794 7.393 -4.843 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.721 8.630 -5.467 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.183 6.558 -3.344 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.120 7.137 -4.611 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.519 9.053 -0.461 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.841 9.316 0.925 1.00 0.50 C ATOM 1366 C CYS A 91 -15.709 10.061 1.647 1.00 0.46 C ATOM 1367 O CYS A 91 -15.950 10.751 2.644 1.00 0.61 O ATOM 1368 CB CYS A 91 -17.216 8.031 1.670 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.738 8.309 3.399 1.00 1.10 S ATOM 0 H CYS A 91 -16.176 8.111 -0.649 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.714 9.969 0.927 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -18.022 7.532 1.132 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.361 7.355 1.662 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.493 9.959 1.156 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.405 10.641 1.808 1.00 0.58 C ATOM 1376 C GLY A 92 -12.061 10.054 1.481 1.00 0.49 C ATOM 1377 O GLY A 92 -11.953 9.125 0.663 1.00 0.59 O ATOM 0 H GLY A 92 -14.239 9.422 0.326 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.416 11.692 1.518 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.557 10.607 2.887 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.048 10.577 2.114 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.701 10.152 1.898 1.00 0.42 C ATOM 1383 C GLN A 93 -9.076 9.733 3.216 1.00 0.41 C ATOM 1384 O GLN A 93 -9.151 10.460 4.211 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.875 11.287 1.294 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.436 10.903 0.988 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.578 12.097 0.677 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -5.987 12.680 1.571 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -6.495 12.469 -0.572 1.00 1.33 N ATOM 0 H GLN A 93 -11.141 11.322 2.804 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.712 9.308 1.208 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.355 11.624 0.375 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.877 12.132 1.983 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.016 10.369 1.841 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.418 10.216 0.142 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -7.004 11.956 -1.292 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.921 13.272 -0.828 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.467 8.589 3.217 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.771 8.084 4.368 1.00 0.33 C ATOM 1400 C ALA A 94 -6.292 8.191 4.115 1.00 0.31 C ATOM 1401 O ALA A 94 -5.849 8.084 2.956 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.130 6.642 4.609 1.00 0.37 C ATOM 0 H ALA A 94 -8.436 7.967 2.409 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.053 8.665 5.246 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.594 6.275 5.484 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.203 6.558 4.779 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.853 6.048 3.738 1.00 0.37 H new ATOM 1408 N SER A 95 -5.537 8.399 5.154 1.00 0.36 N ATOM 1409 CA SER A 95 -4.122 8.513 5.031 1.00 0.37 C ATOM 1410 C SER A 95 -3.431 7.857 6.217 1.00 0.38 C ATOM 1411 O SER A 95 -3.712 8.178 7.370 1.00 0.57 O ATOM 1412 CB SER A 95 -3.725 9.990 4.880 1.00 0.43 C ATOM 1413 OG SER A 95 -4.302 10.802 5.904 1.00 0.50 O ATOM 0 H SER A 95 -5.889 8.494 6.107 1.00 0.36 H new ATOM 0 HA SER A 95 -3.794 7.987 4.134 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.639 10.080 4.914 1.00 0.43 H new ATOM 0 HB3 SER A 95 -4.045 10.354 3.904 1.00 0.43 H new ATOM 0 HG SER A 95 -4.309 10.306 6.749 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.584 6.918 5.940 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.826 6.249 6.969 1.00 0.27 C ATOM 1421 C ALA A 96 -0.383 6.310 6.586 1.00 0.23 C ATOM 1422 O ALA A 96 -0.076 6.428 5.404 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.271 4.812 7.111 1.00 0.30 C ATOM 0 H ALA A 96 -2.392 6.587 4.995 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.986 6.739 7.930 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.687 4.326 7.892 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.328 4.783 7.377 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.120 4.289 6.166 1.00 0.30 H new ATOM 1429 N SER A 97 0.494 6.224 7.534 1.00 0.26 N ATOM 1430 CA SER A 97 1.892 6.316 7.254 1.00 0.28 C ATOM 1431 C SER A 97 2.650 5.170 7.903 1.00 0.25 C ATOM 1432 O SER A 97 2.273 4.689 8.973 1.00 0.38 O ATOM 1433 CB SER A 97 2.416 7.662 7.734 1.00 0.41 C ATOM 1434 OG SER A 97 1.718 8.729 7.100 1.00 1.26 O ATOM 0 H SER A 97 0.264 6.089 8.519 1.00 0.26 H new ATOM 0 HA SER A 97 2.047 6.241 6.178 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.302 7.738 8.815 1.00 0.41 H new ATOM 0 HB3 SER A 97 3.482 7.740 7.520 1.00 0.41 H new ATOM 0 HG SER A 97 2.068 9.586 7.422 1.00 1.26 H new ATOM 1440 N ILE A 98 3.660 4.700 7.230 1.00 0.25 N ATOM 1441 CA ILE A 98 4.505 3.666 7.744 1.00 0.28 C ATOM 1442 C ILE A 98 5.947 4.119 7.582 1.00 0.28 C ATOM 1443 O ILE A 98 6.356 4.561 6.503 1.00 0.30 O ATOM 1444 CB ILE A 98 4.182 2.278 7.055 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.939 1.060 7.676 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.349 2.324 5.539 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.412 0.924 7.335 1.00 0.37 C ATOM 0 H ILE A 98 3.921 5.028 6.300 1.00 0.25 H new ATOM 0 HA ILE A 98 4.324 3.497 8.805 1.00 0.28 H new ATOM 0 HB ILE A 98 3.126 2.109 7.268 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.845 1.119 8.760 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.432 0.148 7.361 1.00 0.72 H new ATOM 0 HG21 ILE A 98 4.115 1.346 5.117 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.674 3.071 5.121 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.378 2.588 5.294 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.819 0.041 7.827 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.528 0.824 6.256 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.948 1.809 7.677 1.00 0.37 H new ATOM 1459 N MET A 99 6.685 4.095 8.655 1.00 0.34 N ATOM 1460 CA MET A 99 8.060 4.534 8.623 1.00 0.41 C ATOM 1461 C MET A 99 8.934 3.360 8.222 1.00 0.40 C ATOM 1462 O MET A 99 9.039 2.379 8.958 1.00 0.51 O ATOM 1463 CB MET A 99 8.481 5.068 9.992 1.00 0.59 C ATOM 1464 CG MET A 99 9.786 5.841 9.965 1.00 0.85 C ATOM 1465 SD MET A 99 9.644 7.335 8.960 1.00 1.25 S ATOM 1466 CE MET A 99 11.303 7.991 9.084 1.00 1.18 C ATOM 0 H MET A 99 6.361 3.776 9.568 1.00 0.34 H new ATOM 0 HA MET A 99 8.172 5.341 7.899 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.693 5.714 10.379 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.577 4.232 10.685 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.073 6.110 10.982 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.578 5.207 9.568 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.372 8.917 8.513 1.00 1.18 H new ATOM 0 HE2 MET A 99 11.538 8.191 10.129 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.012 7.265 8.686 1.00 1.18 H new ATOM 1476 N ALA A 100 9.549 3.444 7.080 1.00 0.42 N ATOM 1477 CA ALA A 100 10.327 2.346 6.572 1.00 0.48 C ATOM 1478 C ALA A 100 11.738 2.781 6.281 1.00 0.48 C ATOM 1479 O ALA A 100 11.962 3.820 5.679 1.00 0.57 O ATOM 1480 CB ALA A 100 9.680 1.767 5.319 1.00 0.58 C ATOM 0 H ALA A 100 9.528 4.266 6.477 1.00 0.42 H new ATOM 0 HA ALA A 100 10.359 1.570 7.336 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.282 0.937 4.949 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.678 1.410 5.559 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.616 2.539 4.553 1.00 0.58 H new ATOM 1486 N ALA A 101 12.671 2.011 6.740 1.00 0.56 N ATOM 1487 CA ALA A 101 14.060 2.252 6.495 1.00 0.65 C ATOM 1488 C ALA A 101 14.727 0.929 6.239 1.00 0.66 C ATOM 1489 O ALA A 101 14.961 0.150 7.167 1.00 0.77 O ATOM 1490 CB ALA A 101 14.694 2.956 7.681 1.00 0.84 C ATOM 0 H ALA A 101 12.488 1.182 7.306 1.00 0.56 H new ATOM 0 HA ALA A 101 14.181 2.900 5.627 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.750 3.132 7.478 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.193 3.910 7.848 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.594 2.333 8.570 1.00 0.84 H new ATOM 1496 N PHE A 102 14.967 0.643 4.992 1.00 0.75 N ATOM 1497 CA PHE A 102 15.590 -0.618 4.615 1.00 0.87 C ATOM 1498 C PHE A 102 17.113 -0.575 4.783 1.00 1.20 C ATOM 1499 O PHE A 102 17.661 -1.278 5.640 1.00 2.05 O ATOM 1500 CB PHE A 102 15.195 -1.057 3.193 1.00 0.97 C ATOM 1501 CG PHE A 102 13.703 -1.257 2.978 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.880 -1.547 4.049 1.00 2.20 C ATOM 1503 CD2 PHE A 102 13.130 -1.165 1.709 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.524 -1.743 3.874 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.775 -1.360 1.529 1.00 3.51 C ATOM 1506 CZ PHE A 102 10.971 -1.598 2.557 1.00 3.86 C ATOM 0 H PHE A 102 14.745 1.259 4.210 1.00 0.75 H new ATOM 0 HA PHE A 102 15.207 -1.372 5.302 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.553 -0.310 2.485 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.709 -1.989 2.960 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.304 -1.622 5.040 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.754 -0.938 0.857 1.00 2.45 H new ATOM 0 HE1 PHE A 102 10.892 -2.000 4.711 1.00 3.25 H new ATOM 0 HE2 PHE A 102 11.362 -1.318 0.532 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.905 -1.682 2.404 1.00 3.86 H new ATOM 1516 N MET A 103 17.791 0.244 3.987 1.00 1.13 N ATOM 1517 CA MET A 103 19.228 0.363 4.062 1.00 1.42 C ATOM 1518 C MET A 103 19.627 1.784 3.683 1.00 1.77 C ATOM 1519 O MET A 103 19.208 2.307 2.641 1.00 2.31 O ATOM 1520 CB MET A 103 19.909 -0.666 3.132 1.00 1.94 C ATOM 1521 CG MET A 103 19.700 -0.435 1.639 1.00 2.66 C ATOM 1522 SD MET A 103 20.565 -1.639 0.625 1.00 3.68 S ATOM 1523 CE MET A 103 20.265 -0.968 -1.003 1.00 4.72 C ATOM 0 H MET A 103 17.357 0.837 3.279 1.00 1.13 H new ATOM 0 HA MET A 103 19.558 0.155 5.080 1.00 1.42 H new ATOM 0 HB2 MET A 103 20.980 -0.663 3.337 1.00 1.94 H new ATOM 0 HB3 MET A 103 19.539 -1.660 3.384 1.00 1.94 H new ATOM 0 HG2 MET A 103 18.634 -0.476 1.415 1.00 2.66 H new ATOM 0 HG3 MET A 103 20.043 0.567 1.379 1.00 2.66 H new ATOM 0 HE1 MET A 103 20.325 -1.767 -1.742 1.00 4.72 H new ATOM 0 HE2 MET A 103 19.272 -0.519 -1.034 1.00 4.72 H new ATOM 0 HE3 MET A 103 21.014 -0.209 -1.227 1.00 4.72 H new ATOM 1533 N ASP A 104 20.384 2.415 4.542 1.00 2.30 N ATOM 1534 CA ASP A 104 20.830 3.793 4.354 1.00 3.13 C ATOM 1535 C ASP A 104 21.876 3.900 3.233 1.00 2.91 C ATOM 1536 O ASP A 104 22.435 2.885 2.804 1.00 2.44 O ATOM 1537 CB ASP A 104 21.307 4.397 5.692 1.00 4.12 C ATOM 1538 CG ASP A 104 21.811 5.826 5.603 1.00 4.81 C ATOM 1539 OD1 ASP A 104 22.841 6.132 6.240 1.00 5.16 O ATOM 1540 OD2 ASP A 104 21.211 6.654 4.858 1.00 5.33 O ATOM 0 H ASP A 104 20.719 1.991 5.407 1.00 2.30 H new ATOM 0 HA ASP A 104 19.981 4.392 4.024 1.00 3.13 H new ATOM 0 HB2 ASP A 104 20.483 4.361 6.405 1.00 4.12 H new ATOM 0 HB3 ASP A 104 22.103 3.770 6.094 1.00 4.12 H new ATOM 1545 N ASN A 105 22.093 5.116 2.753 1.00 3.53 N ATOM 1546 CA ASN A 105 22.956 5.418 1.601 1.00 3.62 C ATOM 1547 C ASN A 105 24.333 4.796 1.728 1.00 4.15 C ATOM 1548 O ASN A 105 25.001 4.952 2.761 1.00 4.99 O ATOM 1549 CB ASN A 105 23.157 6.931 1.429 1.00 4.36 C ATOM 1550 CG ASN A 105 21.892 7.716 1.232 1.00 4.74 C ATOM 1551 OD1 ASN A 105 20.889 7.212 0.737 1.00 4.89 O ATOM 1552 ND2 ASN A 105 21.919 8.949 1.618 1.00 5.34 N ATOM 0 H ASN A 105 21.666 5.948 3.159 1.00 3.53 H new ATOM 0 HA ASN A 105 22.440 4.996 0.739 1.00 3.62 H new ATOM 0 HB2 ASN A 105 23.674 7.317 2.307 1.00 4.36 H new ATOM 0 HB3 ASN A 105 23.811 7.102 0.574 1.00 4.36 H new ATOM 0 HD21 ASN A 105 21.090 9.534 1.515 1.00 5.34 H new ATOM 0 HD22 ASN A 105 22.770 9.337 2.026 1.00 5.34 H new ATOM 1559 N PRO A 106 24.758 4.045 0.714 1.00 3.83 N ATOM 1560 CA PRO A 106 26.099 3.534 0.632 1.00 4.48 C ATOM 1561 C PRO A 106 26.995 4.517 -0.098 1.00 5.07 C ATOM 1562 O PRO A 106 26.555 5.619 -0.489 1.00 4.97 O ATOM 1563 CB PRO A 106 25.962 2.248 -0.191 1.00 4.12 C ATOM 1564 CG PRO A 106 24.607 2.302 -0.836 1.00 3.35 C ATOM 1565 CD PRO A 106 23.949 3.594 -0.427 1.00 3.04 C ATOM 0 HA PRO A 106 26.540 3.366 1.614 1.00 4.48 H new ATOM 0 HB2 PRO A 106 26.748 2.182 -0.943 1.00 4.12 H new ATOM 0 HB3 PRO A 106 26.055 1.368 0.445 1.00 4.12 H new ATOM 0 HG2 PRO A 106 24.699 2.248 -1.921 1.00 3.35 H new ATOM 0 HG3 PRO A 106 24.002 1.451 -0.524 1.00 3.35 H new ATOM 0 HD2 PRO A 106 23.957 4.323 -1.238 1.00 3.04 H new ATOM 0 HD3 PRO A 106 22.907 3.442 -0.145 1.00 3.04 H new ATOM 1573 N PHE A 107 28.229 4.167 -0.221 1.00 5.92 N ATOM 1574 CA PHE A 107 29.152 4.933 -0.988 1.00 6.71 C ATOM 1575 C PHE A 107 28.997 4.529 -2.435 1.00 7.07 C ATOM 1576 O PHE A 107 29.459 3.432 -2.801 1.00 7.41 O ATOM 1577 CB PHE A 107 30.583 4.710 -0.501 1.00 7.09 C ATOM 1578 CG PHE A 107 30.853 5.289 0.860 1.00 7.78 C ATOM 1579 CD1 PHE A 107 31.206 6.619 1.013 1.00 8.28 C ATOM 1580 CD2 PHE A 107 30.762 4.493 1.987 1.00 8.18 C ATOM 1581 CE1 PHE A 107 31.463 7.140 2.264 1.00 9.14 C ATOM 1582 CE2 PHE A 107 31.015 5.009 3.238 1.00 9.05 C ATOM 1583 CZ PHE A 107 31.335 6.382 3.364 1.00 9.52 C ATOM 1584 OXT PHE A 107 28.366 5.271 -3.202 1.00 7.30 O ATOM 0 H PHE A 107 28.630 3.335 0.211 1.00 5.92 H new ATOM 0 HA PHE A 107 28.944 5.997 -0.875 1.00 6.71 H new ATOM 0 HB2 PHE A 107 30.787 3.640 -0.478 1.00 7.09 H new ATOM 0 HB3 PHE A 107 31.275 5.152 -1.218 1.00 7.09 H new ATOM 0 HD1 PHE A 107 31.281 7.255 0.144 1.00 8.28 H new ATOM 0 HD2 PHE A 107 30.489 3.453 1.885 1.00 8.18 H new ATOM 0 HE1 PHE A 107 31.771 8.171 2.359 1.00 9.14 H new ATOM 0 HE2 PHE A 107 30.970 4.375 4.111 1.00 9.05 H new ATOM 0 HZ PHE A 107 31.476 6.818 4.342 1.00 9.52 H new TER 1594 PHE A 107