USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=22 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 77 HIS :FLIP no HD1:sc= -0.863 F(o=-1.4,f=-0.84) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= 0.0202 X(o=-0.87,f=-0.84) USER MOD Set 2.1: A 76 THR OG1 : rot -17:sc= 0.397 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.303 K(o=0.094,f=-5.7!) USER MOD Set 3.1: A 73 ASN : amide:sc= 0.162 K(o=0.29,f=-3.3!) USER MOD Set 3.2: A 74 GLN :FLIP amide:sc= 0.131 F(o=-0.79,f=0.29) USER MOD Set 4.1: A 28 SER OG : rot -89:sc= 0.0317 USER MOD Set 4.2: A 67 HIS : no HD1:sc= 1.03 K(o=1.1,f=-5.7!) USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) 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 13 GLN : amide:sc= -0.248 K(o=-0.25,f=-0.76) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -131:sc= 0 (180deg=-0.686) USER MOD Single : A 21 HIS : no HD1:sc=-0.00819 X(o=-0.0082,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.724 F(o=-1.4,f=-0.72) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN :FLIP amide:sc= -0.103 F(o=-0.72,f=-0.1) 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= 0.453 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.0158 USER MOD Single : A 62 ASN : amide:sc= -0.316 K(o=-0.32,f=-1.8!) USER MOD Single : A 64 THR OG1 : rot 111:sc= 1.01 USER MOD Single : A 80 ASN : amide:sc= -3.09! C(o=-3.1!,f=-5!) USER MOD Single : A 82 ASN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 83 TYR OH : rot -152:sc= 0.922 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -1.07 K(o=-1.1,f=-7!) USER MOD Single : A 93 GLN : amide:sc= -0.0111 K(o=-0.011,f=-0.91) USER MOD Single : A 95 SER OG : rot 42:sc= 0.0297 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 MET CE :methyl 165:sc= 0 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -32.674 2.288 -7.857 1.00 6.98 N ATOM 2 CA ASP A 1 -32.210 1.438 -6.757 1.00 6.54 C ATOM 3 C ASP A 1 -30.770 1.069 -7.048 1.00 5.59 C ATOM 4 O ASP A 1 -30.491 0.415 -8.059 1.00 5.69 O ATOM 5 CB ASP A 1 -33.072 0.178 -6.691 1.00 7.27 C ATOM 6 CG ASP A 1 -32.880 -0.613 -5.434 1.00 7.61 C ATOM 7 OD1 ASP A 1 -31.901 -1.372 -5.321 1.00 7.83 O ATOM 8 OD2 ASP A 1 -33.744 -0.517 -4.541 1.00 7.93 O ATOM 0 H1 ASP A 1 -33.663 2.562 -7.690 1.00 6.98 H new ATOM 0 H2 ASP A 1 -32.082 3.142 -7.909 1.00 6.98 H new ATOM 0 H3 ASP A 1 -32.606 1.764 -8.753 1.00 6.98 H new ATOM 0 HA ASP A 1 -32.284 1.957 -5.801 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -34.121 0.461 -6.776 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -32.842 -0.455 -7.548 1.00 7.27 H new ATOM 15 N ASP A 2 -29.852 1.497 -6.204 1.00 5.04 N ATOM 16 CA ASP A 2 -28.427 1.310 -6.471 1.00 4.46 C ATOM 17 C ASP A 2 -27.811 0.356 -5.486 1.00 3.67 C ATOM 18 O ASP A 2 -28.282 0.210 -4.363 1.00 3.69 O ATOM 19 CB ASP A 2 -27.659 2.645 -6.422 1.00 5.12 C ATOM 20 CG ASP A 2 -28.126 3.650 -7.444 1.00 5.72 C ATOM 21 OD1 ASP A 2 -28.719 4.688 -7.062 1.00 6.17 O ATOM 22 OD2 ASP A 2 -27.917 3.425 -8.649 1.00 6.07 O ATOM 0 H ASP A 2 -30.060 1.976 -5.328 1.00 5.04 H new ATOM 0 HA ASP A 2 -28.350 0.894 -7.476 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -27.762 3.077 -5.427 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -26.598 2.450 -6.576 1.00 5.12 H new ATOM 27 N ASP A 3 -26.722 -0.262 -5.893 1.00 3.50 N ATOM 28 CA ASP A 3 -26.007 -1.244 -5.076 1.00 3.44 C ATOM 29 C ASP A 3 -24.971 -0.549 -4.174 1.00 2.86 C ATOM 30 O ASP A 3 -23.819 -0.969 -4.053 1.00 3.35 O ATOM 31 CB ASP A 3 -25.344 -2.326 -5.976 1.00 4.23 C ATOM 32 CG ASP A 3 -24.210 -1.811 -6.859 1.00 4.91 C ATOM 33 OD1 ASP A 3 -23.067 -2.331 -6.748 1.00 5.43 O ATOM 34 OD2 ASP A 3 -24.431 -0.873 -7.664 1.00 5.26 O ATOM 0 H ASP A 3 -26.298 -0.102 -6.807 1.00 3.50 H new ATOM 0 HA ASP A 3 -26.726 -1.746 -4.428 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -24.958 -3.122 -5.340 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -26.110 -2.769 -6.613 1.00 4.23 H new ATOM 39 N ASP A 4 -25.407 0.506 -3.532 1.00 2.36 N ATOM 40 CA ASP A 4 -24.560 1.291 -2.640 1.00 2.24 C ATOM 41 C ASP A 4 -25.225 1.435 -1.295 1.00 1.92 C ATOM 42 O ASP A 4 -25.181 2.506 -0.681 1.00 2.04 O ATOM 43 CB ASP A 4 -24.261 2.700 -3.211 1.00 2.71 C ATOM 44 CG ASP A 4 -23.215 2.736 -4.302 1.00 3.25 C ATOM 45 OD1 ASP A 4 -23.576 2.633 -5.495 1.00 3.54 O ATOM 46 OD2 ASP A 4 -22.008 2.796 -3.997 1.00 3.87 O ATOM 0 H ASP A 4 -26.363 0.854 -3.607 1.00 2.36 H new ATOM 0 HA ASP A 4 -23.614 0.758 -2.540 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -25.187 3.122 -3.602 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -23.936 3.345 -2.395 1.00 2.71 H new ATOM 51 N ASP A 5 -25.833 0.365 -0.822 1.00 1.78 N ATOM 52 CA ASP A 5 -26.548 0.416 0.449 1.00 1.68 C ATOM 53 C ASP A 5 -25.571 0.454 1.600 1.00 1.53 C ATOM 54 O ASP A 5 -25.651 1.328 2.465 1.00 1.50 O ATOM 55 CB ASP A 5 -27.518 -0.756 0.613 1.00 1.90 C ATOM 56 CG ASP A 5 -28.229 -0.717 1.955 1.00 2.14 C ATOM 57 OD1 ASP A 5 -27.968 -1.580 2.816 1.00 2.55 O ATOM 58 OD2 ASP A 5 -29.042 0.192 2.183 1.00 2.43 O ATOM 0 H ASP A 5 -25.850 -0.542 -1.288 1.00 1.78 H new ATOM 0 HA ASP A 5 -27.141 1.331 0.451 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -28.255 -0.733 -0.190 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -26.973 -1.695 0.518 1.00 1.90 H new ATOM 63 N VAL A 6 -24.632 -0.457 1.606 1.00 1.54 N ATOM 64 CA VAL A 6 -23.622 -0.452 2.610 1.00 1.49 C ATOM 65 C VAL A 6 -22.368 0.212 2.071 1.00 1.25 C ATOM 66 O VAL A 6 -21.559 -0.383 1.354 1.00 1.34 O ATOM 67 CB VAL A 6 -23.337 -1.866 3.192 1.00 1.77 C ATOM 68 CG1 VAL A 6 -24.475 -2.308 4.076 1.00 2.08 C ATOM 69 CG2 VAL A 6 -23.100 -2.905 2.105 1.00 1.94 C ATOM 0 H VAL A 6 -24.553 -1.209 0.922 1.00 1.54 H new ATOM 0 HA VAL A 6 -23.991 0.132 3.453 1.00 1.49 H new ATOM 0 HB VAL A 6 -22.422 -1.788 3.779 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -24.261 -3.299 4.476 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -24.592 -1.602 4.898 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -25.396 -2.343 3.494 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -22.906 -3.874 2.564 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -23.983 -2.975 1.470 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -22.241 -2.611 1.502 1.00 1.94 H new ATOM 79 N SER A 7 -22.212 1.449 2.406 1.00 1.06 N ATOM 80 CA SER A 7 -21.117 2.192 1.909 1.00 0.91 C ATOM 81 C SER A 7 -20.063 2.298 2.978 1.00 0.81 C ATOM 82 O SER A 7 -20.178 3.086 3.921 1.00 0.91 O ATOM 83 CB SER A 7 -21.578 3.573 1.439 1.00 1.01 C ATOM 84 OG SER A 7 -20.539 4.273 0.759 1.00 1.58 O ATOM 0 H SER A 7 -22.837 1.964 3.026 1.00 1.06 H new ATOM 0 HA SER A 7 -20.688 1.681 1.047 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.437 3.464 0.777 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.909 4.158 2.297 1.00 1.01 H new ATOM 0 HG SER A 7 -20.869 5.150 0.472 1.00 1.58 H new ATOM 90 N PHE A 8 -19.082 1.461 2.870 1.00 0.75 N ATOM 91 CA PHE A 8 -17.957 1.511 3.746 1.00 0.70 C ATOM 92 C PHE A 8 -16.954 2.473 3.171 1.00 0.53 C ATOM 93 O PHE A 8 -16.599 2.381 1.982 1.00 0.54 O ATOM 94 CB PHE A 8 -17.345 0.122 3.928 1.00 0.85 C ATOM 95 CG PHE A 8 -18.232 -0.843 4.674 1.00 0.77 C ATOM 96 CD1 PHE A 8 -19.219 -1.560 4.020 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.065 -1.035 6.031 1.00 1.01 C ATOM 98 CE1 PHE A 8 -20.017 -2.448 4.702 1.00 0.85 C ATOM 99 CE2 PHE A 8 -18.862 -1.922 6.720 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.841 -2.629 6.052 1.00 0.96 C ATOM 0 H PHE A 8 -19.039 0.721 2.169 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.270 1.853 4.732 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.115 -0.295 2.947 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.400 0.219 4.462 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -19.364 -1.420 2.959 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.301 -0.483 6.558 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -20.781 -3.002 4.177 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -18.721 -2.064 7.781 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.468 -3.324 6.590 1.00 0.96 H new ATOM 110 N CYS A 9 -16.517 3.380 3.985 1.00 0.49 N ATOM 111 CA CYS A 9 -15.599 4.409 3.578 1.00 0.44 C ATOM 112 C CYS A 9 -14.197 3.850 3.649 1.00 0.37 C ATOM 113 O CYS A 9 -14.016 2.708 4.067 1.00 0.40 O ATOM 114 CB CYS A 9 -15.767 5.598 4.511 1.00 0.62 C ATOM 115 SG CYS A 9 -17.490 6.190 4.618 1.00 1.32 S ATOM 0 H CYS A 9 -16.789 3.432 4.967 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.793 4.738 2.557 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.422 5.321 5.507 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.130 6.413 4.168 1.00 0.62 H new ATOM 120 N ALA A 10 -13.212 4.642 3.315 1.00 0.35 N ATOM 121 CA ALA A 10 -11.880 4.131 3.192 1.00 0.35 C ATOM 122 C ALA A 10 -11.143 4.297 4.471 1.00 0.29 C ATOM 123 O ALA A 10 -10.970 5.412 4.969 1.00 0.34 O ATOM 124 CB ALA A 10 -11.129 4.842 2.083 1.00 0.45 C ATOM 0 H ALA A 10 -13.310 5.639 3.125 1.00 0.35 H new ATOM 0 HA ALA A 10 -11.949 3.071 2.948 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.120 4.437 2.009 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.650 4.693 1.137 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.076 5.908 2.305 1.00 0.45 H new ATOM 130 N SER A 11 -10.767 3.197 5.021 1.00 0.27 N ATOM 131 CA SER A 11 -9.991 3.172 6.213 1.00 0.27 C ATOM 132 C SER A 11 -8.672 2.488 5.873 1.00 0.23 C ATOM 133 O SER A 11 -8.670 1.467 5.193 1.00 0.25 O ATOM 134 CB SER A 11 -10.754 2.427 7.306 1.00 0.37 C ATOM 135 OG SER A 11 -12.085 2.948 7.439 1.00 1.19 O ATOM 0 H SER A 11 -10.993 2.274 4.651 1.00 0.27 H new ATOM 0 HA SER A 11 -9.795 4.176 6.590 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.796 1.364 7.068 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.225 2.520 8.254 1.00 0.37 H new ATOM 0 HG SER A 11 -12.559 2.458 8.142 1.00 1.19 H new ATOM 141 N VAL A 12 -7.571 3.046 6.307 1.00 0.23 N ATOM 142 CA VAL A 12 -6.276 2.545 5.906 1.00 0.22 C ATOM 143 C VAL A 12 -5.446 2.167 7.113 1.00 0.24 C ATOM 144 O VAL A 12 -5.169 3.003 7.968 1.00 0.29 O ATOM 145 CB VAL A 12 -5.498 3.597 5.058 1.00 0.23 C ATOM 146 CG1 VAL A 12 -4.149 3.069 4.658 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.261 3.966 3.814 1.00 0.27 C ATOM 0 H VAL A 12 -7.542 3.847 6.938 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.450 1.659 5.296 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.375 4.483 5.681 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.625 3.820 4.067 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.568 2.840 5.552 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.274 2.163 4.065 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.693 4.701 3.244 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.417 3.075 3.205 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.227 4.389 4.091 1.00 0.27 H new ATOM 157 N GLN A 13 -5.084 0.914 7.186 1.00 0.24 N ATOM 158 CA GLN A 13 -4.218 0.428 8.216 1.00 0.29 C ATOM 159 C GLN A 13 -2.955 -0.143 7.619 1.00 0.26 C ATOM 160 O GLN A 13 -2.985 -1.099 6.830 1.00 0.32 O ATOM 161 CB GLN A 13 -4.916 -0.588 9.119 1.00 0.40 C ATOM 162 CG GLN A 13 -5.998 0.031 9.978 1.00 0.68 C ATOM 163 CD GLN A 13 -5.450 1.085 10.932 1.00 1.43 C ATOM 164 OE1 GLN A 13 -4.302 1.002 11.390 1.00 2.18 O ATOM 165 NE2 GLN A 13 -6.247 2.059 11.252 1.00 2.06 N ATOM 0 H GLN A 13 -5.387 0.199 6.524 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.947 1.274 8.847 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.354 -1.374 8.503 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.176 -1.063 9.763 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -6.753 0.484 9.336 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.495 -0.751 10.552 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -7.187 2.099 10.858 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -5.933 2.784 11.898 1.00 2.06 H new ATOM 174 N LEU A 14 -1.869 0.459 7.962 1.00 0.28 N ATOM 175 CA LEU A 14 -0.575 0.069 7.499 1.00 0.25 C ATOM 176 C LEU A 14 0.148 -0.741 8.537 1.00 0.25 C ATOM 177 O LEU A 14 -0.178 -0.690 9.728 1.00 0.33 O ATOM 178 CB LEU A 14 0.234 1.280 7.037 1.00 0.24 C ATOM 179 CG LEU A 14 -0.151 1.814 5.656 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.495 3.140 5.392 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.304 0.843 4.604 1.00 0.25 C ATOM 0 H LEU A 14 -1.853 1.261 8.592 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.703 -0.574 6.628 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.115 2.080 7.768 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.291 1.012 7.027 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.234 1.935 5.627 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.204 3.496 4.404 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.173 3.858 6.146 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.579 3.032 5.434 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.031 1.220 3.618 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.386 0.725 4.661 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.175 -0.122 4.768 1.00 0.25 H new ATOM 193 N HIS A 15 1.087 -1.515 8.089 1.00 0.21 N ATOM 194 CA HIS A 15 1.845 -2.387 8.943 1.00 0.24 C ATOM 195 C HIS A 15 3.293 -2.188 8.644 1.00 0.21 C ATOM 196 O HIS A 15 3.663 -1.925 7.509 1.00 0.22 O ATOM 197 CB HIS A 15 1.510 -3.869 8.669 1.00 0.34 C ATOM 198 CG HIS A 15 0.157 -4.349 9.109 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.008 -5.422 9.945 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.095 -3.933 8.790 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.288 -5.646 10.129 1.00 1.03 C ATOM 202 NE2 HIS A 15 -1.966 -4.758 9.442 1.00 0.83 N ATOM 0 H HIS A 15 1.355 -1.562 7.106 1.00 0.21 H new ATOM 0 HA HIS A 15 1.604 -2.153 9.980 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.601 -4.046 7.597 1.00 0.34 H new ATOM 0 HB3 HIS A 15 2.265 -4.484 9.159 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.353 -3.107 8.144 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -1.711 -6.428 10.742 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -2.983 -4.694 9.401 1.00 0.83 H new ATOM 211 N THR A 16 4.091 -2.276 9.663 1.00 0.26 N ATOM 212 CA THR A 16 5.508 -2.168 9.545 1.00 0.29 C ATOM 213 C THR A 16 6.031 -3.392 8.782 1.00 0.25 C ATOM 214 O THR A 16 5.550 -4.516 8.999 1.00 0.27 O ATOM 215 CB THR A 16 6.113 -2.104 10.958 1.00 0.38 C ATOM 216 OG1 THR A 16 5.553 -0.959 11.657 1.00 0.49 O ATOM 217 CG2 THR A 16 7.631 -1.980 10.906 1.00 0.47 C ATOM 0 H THR A 16 3.767 -2.428 10.618 1.00 0.26 H new ATOM 0 HA THR A 16 5.789 -1.267 8.999 1.00 0.29 H new ATOM 0 HB THR A 16 5.870 -3.027 11.484 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.931 -0.910 12.560 1.00 0.49 H new ATOM 0 HG21 THR A 16 8.028 -1.937 11.920 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.049 -2.844 10.389 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.904 -1.070 10.371 1.00 0.47 H new ATOM 225 N ALA A 17 6.975 -3.138 7.865 1.00 0.28 N ATOM 226 CA ALA A 17 7.580 -4.151 7.006 1.00 0.30 C ATOM 227 C ALA A 17 8.003 -5.377 7.790 1.00 0.35 C ATOM 228 O ALA A 17 8.608 -5.265 8.866 1.00 0.40 O ATOM 229 CB ALA A 17 8.770 -3.567 6.270 1.00 0.37 C ATOM 0 H ALA A 17 7.343 -2.201 7.701 1.00 0.28 H new ATOM 0 HA ALA A 17 6.825 -4.465 6.285 1.00 0.30 H new ATOM 0 HB1 ALA A 17 9.214 -4.331 5.632 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.442 -2.728 5.657 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.510 -3.222 6.992 1.00 0.37 H new ATOM 235 N VAL A 18 7.740 -6.527 7.225 1.00 0.38 N ATOM 236 CA VAL A 18 7.975 -7.778 7.898 1.00 0.48 C ATOM 237 C VAL A 18 9.371 -8.299 7.609 1.00 0.56 C ATOM 238 O VAL A 18 9.876 -8.200 6.483 1.00 0.52 O ATOM 239 CB VAL A 18 6.900 -8.845 7.530 1.00 0.54 C ATOM 240 CG1 VAL A 18 5.535 -8.397 8.016 1.00 0.57 C ATOM 241 CG2 VAL A 18 6.856 -9.100 6.027 1.00 0.52 C ATOM 0 H VAL A 18 7.357 -6.623 6.285 1.00 0.38 H new ATOM 0 HA VAL A 18 7.895 -7.588 8.968 1.00 0.48 H new ATOM 0 HB VAL A 18 7.175 -9.778 8.022 1.00 0.54 H new ATOM 0 HG11 VAL A 18 4.791 -9.149 7.754 1.00 0.57 H new ATOM 0 HG12 VAL A 18 5.558 -8.270 9.098 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.274 -7.449 7.545 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.095 -9.849 5.807 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.613 -8.173 5.508 1.00 0.52 H new ATOM 0 HG23 VAL A 18 7.828 -9.460 5.690 1.00 0.52 H new ATOM 251 N GLU A 19 9.983 -8.805 8.653 1.00 0.72 N ATOM 252 CA GLU A 19 11.353 -9.268 8.661 1.00 0.84 C ATOM 253 C GLU A 19 11.545 -10.534 7.816 1.00 0.84 C ATOM 254 O GLU A 19 11.397 -11.666 8.297 1.00 0.96 O ATOM 255 CB GLU A 19 11.781 -9.509 10.116 1.00 1.06 C ATOM 256 CG GLU A 19 13.238 -9.897 10.334 1.00 1.72 C ATOM 257 CD GLU A 19 14.213 -8.816 9.937 1.00 2.02 C ATOM 258 OE1 GLU A 19 15.017 -9.041 9.010 1.00 2.52 O ATOM 259 OE2 GLU A 19 14.221 -7.734 10.576 1.00 2.38 O ATOM 0 H GLU A 19 9.523 -8.910 9.557 1.00 0.72 H new ATOM 0 HA GLU A 19 11.982 -8.502 8.208 1.00 0.84 H new ATOM 0 HB2 GLU A 19 11.579 -8.603 10.687 1.00 1.06 H new ATOM 0 HB3 GLU A 19 11.151 -10.295 10.532 1.00 1.06 H new ATOM 0 HG2 GLU A 19 13.387 -10.142 11.386 1.00 1.72 H new ATOM 0 HG3 GLU A 19 13.455 -10.799 9.762 1.00 1.72 H new ATOM 266 N MET A 20 11.832 -10.325 6.569 1.00 0.79 N ATOM 267 CA MET A 20 12.196 -11.369 5.649 1.00 0.84 C ATOM 268 C MET A 20 13.121 -10.763 4.623 1.00 0.81 C ATOM 269 O MET A 20 13.405 -9.567 4.727 1.00 0.84 O ATOM 270 CB MET A 20 10.983 -12.087 5.030 1.00 0.88 C ATOM 271 CG MET A 20 10.033 -11.224 4.237 1.00 0.88 C ATOM 272 SD MET A 20 8.643 -12.187 3.613 1.00 0.88 S ATOM 273 CE MET A 20 7.771 -10.951 2.678 1.00 0.58 C ATOM 0 H MET A 20 11.820 -9.397 6.146 1.00 0.79 H new ATOM 0 HA MET A 20 12.712 -12.167 6.183 1.00 0.84 H new ATOM 0 HB2 MET A 20 11.350 -12.881 4.379 1.00 0.88 H new ATOM 0 HB3 MET A 20 10.422 -12.566 5.832 1.00 0.88 H new ATOM 0 HG2 MET A 20 9.664 -10.413 4.865 1.00 0.88 H new ATOM 0 HG3 MET A 20 10.564 -10.765 3.403 1.00 0.88 H new ATOM 0 HE1 MET A 20 6.715 -10.969 2.947 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.186 -9.968 2.899 1.00 0.58 H new ATOM 0 HE3 MET A 20 7.877 -11.158 1.613 1.00 0.58 H new ATOM 283 N HIS A 21 13.621 -11.534 3.678 1.00 0.92 N ATOM 284 CA HIS A 21 14.634 -11.012 2.755 1.00 1.01 C ATOM 285 C HIS A 21 14.050 -9.916 1.858 1.00 0.82 C ATOM 286 O HIS A 21 14.652 -8.857 1.691 1.00 0.95 O ATOM 287 CB HIS A 21 15.281 -12.145 1.934 1.00 1.24 C ATOM 288 CG HIS A 21 16.539 -11.749 1.206 1.00 1.65 C ATOM 289 ND1 HIS A 21 16.855 -12.180 -0.068 1.00 2.31 N ATOM 290 CD2 HIS A 21 17.593 -10.999 1.610 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.041 -11.709 -0.404 1.00 2.75 C ATOM 292 NE2 HIS A 21 18.503 -10.996 0.595 1.00 2.66 N ATOM 0 H HIS A 21 13.355 -12.506 3.522 1.00 0.92 H new ATOM 0 HA HIS A 21 15.426 -10.556 3.349 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.509 -12.976 2.602 1.00 1.24 H new ATOM 0 HB3 HIS A 21 14.555 -12.510 1.207 1.00 1.24 H new ATOM 0 HD2 HIS A 21 17.693 -10.496 2.561 1.00 2.19 H new ATOM 0 HE1 HIS A 21 18.546 -11.882 -1.343 1.00 2.75 H new ATOM 0 HE2 HIS A 21 19.402 -10.515 0.610 1.00 2.66 H new ATOM 301 N HIS A 22 12.892 -10.167 1.304 1.00 0.67 N ATOM 302 CA HIS A 22 12.214 -9.167 0.502 1.00 0.59 C ATOM 303 C HIS A 22 11.295 -8.377 1.392 1.00 0.49 C ATOM 304 O HIS A 22 10.499 -8.952 2.129 1.00 0.57 O ATOM 305 CB HIS A 22 11.457 -9.797 -0.672 1.00 0.76 C ATOM 306 CG HIS A 22 12.367 -10.392 -1.701 1.00 1.13 C ATOM 307 ND1 HIS A 22 12.505 -11.746 -1.907 1.00 1.52 N ATOM 308 CD2 HIS A 22 13.198 -9.797 -2.585 1.00 2.11 C ATOM 309 CE1 HIS A 22 13.379 -11.954 -2.867 1.00 2.06 C ATOM 310 NE2 HIS A 22 13.816 -10.792 -3.294 1.00 2.46 N ATOM 0 H HIS A 22 12.394 -11.053 1.390 1.00 0.67 H new ATOM 0 HA HIS A 22 12.954 -8.499 0.062 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.790 -10.571 -0.294 1.00 0.76 H new ATOM 0 HB3 HIS A 22 10.831 -9.039 -1.143 1.00 0.76 H new ATOM 0 HD2 HIS A 22 13.347 -8.735 -2.709 1.00 2.11 H new ATOM 0 HE1 HIS A 22 13.686 -12.919 -3.242 1.00 2.06 H new ATOM 0 HE2 HIS A 22 14.504 -10.653 -4.034 1.00 2.46 H new ATOM 319 N TRP A 23 11.398 -7.080 1.333 1.00 0.41 N ATOM 320 CA TRP A 23 10.673 -6.239 2.243 1.00 0.36 C ATOM 321 C TRP A 23 9.252 -6.002 1.803 1.00 0.32 C ATOM 322 O TRP A 23 8.984 -5.487 0.717 1.00 0.44 O ATOM 323 CB TRP A 23 11.428 -4.946 2.506 1.00 0.43 C ATOM 324 CG TRP A 23 12.745 -5.207 3.173 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.983 -5.171 2.602 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.942 -5.593 4.537 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.935 -5.493 3.532 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.323 -5.759 4.726 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.082 -5.809 5.619 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.866 -6.128 5.949 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.622 -6.177 6.832 1.00 0.85 C ATOM 332 CH2 TRP A 23 14.000 -6.334 6.990 1.00 0.86 C ATOM 0 H TRP A 23 11.980 -6.580 0.661 1.00 0.41 H new ATOM 0 HA TRP A 23 10.600 -6.771 3.192 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.593 -4.421 1.565 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.824 -4.291 3.134 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.183 -4.925 1.570 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.940 -5.529 3.362 1.00 0.57 H new ATOM 0 HE3 TRP A 23 11.015 -5.690 5.506 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.932 -6.248 6.075 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.968 -6.347 7.675 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.392 -6.624 7.954 1.00 0.86 H new ATOM 343 N CYS A 24 8.356 -6.402 2.654 1.00 0.27 N ATOM 344 CA CYS A 24 6.946 -6.337 2.408 1.00 0.25 C ATOM 345 C CYS A 24 6.282 -5.477 3.466 1.00 0.23 C ATOM 346 O CYS A 24 6.439 -5.739 4.668 1.00 0.25 O ATOM 347 CB CYS A 24 6.390 -7.772 2.452 1.00 0.28 C ATOM 348 SG CYS A 24 4.584 -7.960 2.291 1.00 0.30 S ATOM 0 H CYS A 24 8.592 -6.794 3.565 1.00 0.27 H new ATOM 0 HA CYS A 24 6.745 -5.892 1.434 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.863 -8.344 1.654 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.696 -8.226 3.395 1.00 0.28 H new ATOM 353 N ILE A 25 5.615 -4.421 3.027 1.00 0.20 N ATOM 354 CA ILE A 25 4.822 -3.566 3.901 1.00 0.19 C ATOM 355 C ILE A 25 3.340 -3.932 3.701 1.00 0.18 C ATOM 356 O ILE A 25 2.721 -3.503 2.717 1.00 0.18 O ATOM 357 CB ILE A 25 5.020 -2.047 3.566 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.492 -1.629 3.724 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.113 -1.167 4.436 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.762 -0.170 3.375 1.00 0.30 C ATOM 0 H ILE A 25 5.608 -4.130 2.049 1.00 0.20 H new ATOM 0 HA ILE A 25 5.141 -3.724 4.931 1.00 0.19 H new ATOM 0 HB ILE A 25 4.737 -1.901 2.523 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.802 -1.809 4.753 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.110 -2.264 3.089 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.271 -0.119 4.182 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.071 -1.430 4.257 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.352 -1.326 5.488 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.821 0.047 3.512 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.485 0.013 2.337 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.173 0.475 4.027 1.00 0.30 H new ATOM 372 N PRO A 26 2.771 -4.770 4.577 1.00 0.20 N ATOM 373 CA PRO A 26 1.375 -5.192 4.463 1.00 0.21 C ATOM 374 C PRO A 26 0.406 -4.042 4.745 1.00 0.21 C ATOM 375 O PRO A 26 0.581 -3.276 5.708 1.00 0.23 O ATOM 376 CB PRO A 26 1.228 -6.287 5.539 1.00 0.25 C ATOM 377 CG PRO A 26 2.620 -6.621 5.957 1.00 0.28 C ATOM 378 CD PRO A 26 3.425 -5.376 5.744 1.00 0.24 C ATOM 0 HA PRO A 26 1.138 -5.538 3.457 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.639 -5.931 6.384 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.717 -7.163 5.141 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.650 -6.931 7.002 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.017 -7.448 5.368 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.394 -4.719 6.613 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.474 -5.599 5.551 1.00 0.24 H new ATOM 386 N PHE A 27 -0.603 -3.916 3.928 1.00 0.23 N ATOM 387 CA PHE A 27 -1.582 -2.888 4.123 1.00 0.25 C ATOM 388 C PHE A 27 -2.971 -3.470 4.107 1.00 0.25 C ATOM 389 O PHE A 27 -3.229 -4.511 3.475 1.00 0.30 O ATOM 390 CB PHE A 27 -1.443 -1.722 3.107 1.00 0.27 C ATOM 391 CG PHE A 27 -1.669 -2.059 1.656 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.941 -2.007 1.101 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.609 -2.404 0.843 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.142 -2.297 -0.225 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.808 -2.695 -0.488 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.075 -2.643 -1.021 1.00 0.37 C ATOM 0 H PHE A 27 -0.767 -4.515 3.119 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.398 -2.455 5.106 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.148 -0.940 3.388 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.443 -1.301 3.207 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.783 -1.735 1.721 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.388 -2.446 1.255 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.137 -2.254 -0.643 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.030 -2.964 -1.113 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.232 -2.874 -2.064 1.00 0.37 H new ATOM 406 N SER A 28 -3.835 -2.854 4.838 1.00 0.25 N ATOM 407 CA SER A 28 -5.198 -3.234 4.897 1.00 0.28 C ATOM 408 C SER A 28 -6.062 -1.991 4.714 1.00 0.24 C ATOM 409 O SER A 28 -6.039 -1.076 5.539 1.00 0.27 O ATOM 410 CB SER A 28 -5.469 -3.909 6.237 1.00 0.41 C ATOM 411 OG SER A 28 -4.588 -5.022 6.422 1.00 0.88 O ATOM 0 H SER A 28 -3.604 -2.052 5.425 1.00 0.25 H new ATOM 0 HA SER A 28 -5.439 -3.942 4.104 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.334 -3.192 7.047 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.505 -4.246 6.279 1.00 0.41 H new ATOM 0 HG SER A 28 -4.999 -5.830 6.050 1.00 0.88 H new ATOM 417 N VAL A 29 -6.750 -1.936 3.611 1.00 0.23 N ATOM 418 CA VAL A 29 -7.628 -0.831 3.314 1.00 0.21 C ATOM 419 C VAL A 29 -9.069 -1.319 3.264 1.00 0.21 C ATOM 420 O VAL A 29 -9.395 -2.260 2.538 1.00 0.27 O ATOM 421 CB VAL A 29 -7.208 -0.058 2.008 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.946 -1.011 0.866 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.279 0.958 1.605 1.00 0.26 C ATOM 0 H VAL A 29 -6.721 -2.655 2.888 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.541 -0.101 4.118 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.284 0.476 2.230 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.658 -0.446 -0.021 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.141 -1.693 1.139 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.850 -1.583 0.655 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.965 1.478 0.700 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.220 0.440 1.418 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.417 1.680 2.410 1.00 0.26 H new ATOM 433 N ASP A 30 -9.897 -0.699 4.049 1.00 0.27 N ATOM 434 CA ASP A 30 -11.296 -1.074 4.183 1.00 0.35 C ATOM 435 C ASP A 30 -12.123 -0.113 3.363 1.00 0.37 C ATOM 436 O ASP A 30 -11.763 1.068 3.247 1.00 0.48 O ATOM 437 CB ASP A 30 -11.710 -0.947 5.660 1.00 0.51 C ATOM 438 CG ASP A 30 -13.050 -1.592 6.020 1.00 0.80 C ATOM 439 OD1 ASP A 30 -13.131 -2.452 6.929 1.00 1.39 O ATOM 440 OD2 ASP A 30 -14.048 -1.305 5.337 1.00 1.30 O ATOM 0 H ASP A 30 -9.628 0.096 4.629 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.448 -2.098 3.843 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -10.932 -1.395 6.278 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -11.753 0.111 5.919 1.00 0.51 H new ATOM 445 N GLY A 31 -13.171 -0.612 2.764 1.00 0.37 N ATOM 446 CA GLY A 31 -14.071 0.207 2.018 1.00 0.42 C ATOM 447 C GLY A 31 -14.779 -0.583 0.955 1.00 0.46 C ATOM 448 O GLY A 31 -14.312 -1.652 0.557 1.00 0.60 O ATOM 0 H GLY A 31 -13.420 -1.601 2.783 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.804 0.652 2.691 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.521 1.028 1.558 1.00 0.42 H new ATOM 452 N GLN A 32 -15.904 -0.096 0.503 1.00 0.55 N ATOM 453 CA GLN A 32 -16.618 -0.740 -0.599 1.00 0.64 C ATOM 454 C GLN A 32 -16.350 -0.025 -1.908 1.00 0.61 C ATOM 455 O GLN A 32 -15.858 -0.660 -2.845 1.00 0.68 O ATOM 456 CB GLN A 32 -18.109 -0.969 -0.313 1.00 0.76 C ATOM 457 CG GLN A 32 -18.350 -2.061 0.702 1.00 0.99 C ATOM 458 CD GLN A 32 -17.918 -3.425 0.199 1.00 1.82 C ATOM 459 OE1 GLN A 32 -16.664 -3.774 0.393 1.00 2.42 O flip ATOM 460 NE2 GLN A 32 -18.701 -4.149 -0.385 1.00 2.61 N flip ATOM 0 H GLN A 32 -16.355 0.741 0.871 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.214 -1.747 -0.699 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.552 -0.040 0.047 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.617 -1.225 -1.243 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -17.809 -1.827 1.619 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.410 -2.090 0.956 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -19.667 -3.851 -0.520 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -18.392 -5.054 -0.740 1.00 2.61 H new ATOM 469 N PRO A 33 -16.654 1.302 -2.024 1.00 0.59 N ATOM 470 CA PRO A 33 -16.203 2.075 -3.167 1.00 0.62 C ATOM 471 C PRO A 33 -14.678 1.991 -3.224 1.00 0.53 C ATOM 472 O PRO A 33 -13.999 2.238 -2.204 1.00 0.44 O ATOM 473 CB PRO A 33 -16.646 3.517 -2.844 1.00 0.67 C ATOM 474 CG PRO A 33 -17.023 3.510 -1.405 1.00 0.78 C ATOM 475 CD PRO A 33 -17.483 2.124 -1.117 1.00 0.63 C ATOM 0 HA PRO A 33 -16.601 1.730 -4.121 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -15.840 4.226 -3.034 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.488 3.817 -3.468 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.174 3.780 -0.776 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -17.812 4.234 -1.203 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.326 1.856 -0.072 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.547 2.001 -1.321 1.00 0.63 H new ATOM 483 N ALA A 34 -14.157 1.566 -4.352 1.00 0.62 N ATOM 484 CA ALA A 34 -12.733 1.373 -4.526 1.00 0.60 C ATOM 485 C ALA A 34 -11.969 2.675 -4.393 1.00 0.52 C ATOM 486 O ALA A 34 -12.171 3.617 -5.175 1.00 0.63 O ATOM 487 CB ALA A 34 -12.442 0.726 -5.866 1.00 0.78 C ATOM 0 H ALA A 34 -14.710 1.343 -5.179 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.395 0.708 -3.731 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -11.366 0.589 -5.978 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -12.938 -0.243 -5.918 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -12.812 1.366 -6.667 1.00 0.78 H new ATOM 493 N PRO A 35 -11.116 2.781 -3.376 1.00 0.39 N ATOM 494 CA PRO A 35 -10.304 3.938 -3.203 1.00 0.35 C ATOM 495 C PRO A 35 -9.053 3.847 -4.051 1.00 0.41 C ATOM 496 O PRO A 35 -8.482 2.757 -4.244 1.00 0.56 O ATOM 497 CB PRO A 35 -9.953 3.903 -1.722 1.00 0.29 C ATOM 498 CG PRO A 35 -9.893 2.455 -1.388 1.00 0.31 C ATOM 499 CD PRO A 35 -10.886 1.777 -2.300 1.00 0.37 C ATOM 0 HA PRO A 35 -10.804 4.859 -3.502 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.000 4.395 -1.528 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.705 4.418 -1.124 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -8.889 2.060 -1.542 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.145 2.285 -0.341 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.490 0.844 -2.701 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -11.810 1.532 -1.776 1.00 0.37 H new ATOM 507 N SER A 36 -8.658 4.951 -4.582 1.00 0.39 N ATOM 508 CA SER A 36 -7.464 5.029 -5.345 1.00 0.44 C ATOM 509 C SER A 36 -6.283 4.996 -4.375 1.00 0.37 C ATOM 510 O SER A 36 -6.054 5.956 -3.635 1.00 0.41 O ATOM 511 CB SER A 36 -7.501 6.321 -6.129 1.00 0.57 C ATOM 512 OG SER A 36 -8.765 6.448 -6.790 1.00 1.37 O ATOM 0 H SER A 36 -9.161 5.834 -4.497 1.00 0.39 H new ATOM 0 HA SER A 36 -7.364 4.198 -6.043 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.342 7.168 -5.461 1.00 0.57 H new ATOM 0 HB3 SER A 36 -6.694 6.337 -6.861 1.00 0.57 H new ATOM 0 HG SER A 36 -8.787 7.287 -7.296 1.00 1.37 H new ATOM 518 N LEU A 37 -5.608 3.865 -4.322 1.00 0.33 N ATOM 519 CA LEU A 37 -4.487 3.686 -3.438 1.00 0.30 C ATOM 520 C LEU A 37 -3.263 4.360 -4.012 1.00 0.32 C ATOM 521 O LEU A 37 -2.774 3.997 -5.092 1.00 0.50 O ATOM 522 CB LEU A 37 -4.223 2.201 -3.179 1.00 0.32 C ATOM 523 CG LEU A 37 -5.350 1.423 -2.485 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.980 -0.038 -2.361 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.624 1.998 -1.109 1.00 0.27 C ATOM 0 H LEU A 37 -5.826 3.048 -4.893 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.723 4.150 -2.480 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -4.011 1.719 -4.134 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.322 2.114 -2.571 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.251 1.513 -3.092 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.788 -0.577 -1.867 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.817 -0.458 -3.354 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -4.067 -0.134 -1.773 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.426 1.434 -0.632 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.722 1.932 -0.501 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.922 3.042 -1.204 1.00 0.27 H new ATOM 537 N ARG A 38 -2.789 5.324 -3.309 1.00 0.23 N ATOM 538 CA ARG A 38 -1.671 6.118 -3.730 1.00 0.23 C ATOM 539 C ARG A 38 -0.652 6.182 -2.630 1.00 0.22 C ATOM 540 O ARG A 38 -0.986 6.438 -1.482 1.00 0.26 O ATOM 541 CB ARG A 38 -2.162 7.530 -4.120 1.00 0.28 C ATOM 542 CG ARG A 38 -1.086 8.545 -4.559 1.00 0.33 C ATOM 543 CD ARG A 38 -0.204 8.030 -5.684 1.00 1.28 C ATOM 544 NE ARG A 38 -0.958 7.283 -6.695 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.503 6.225 -7.399 1.00 3.10 C ATOM 546 NH1 ARG A 38 0.762 5.798 -7.264 1.00 3.72 N ATOM 547 NH2 ARG A 38 -1.321 5.596 -8.234 1.00 3.78 N ATOM 0 H ARG A 38 -3.170 5.596 -2.403 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.200 5.664 -4.602 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.883 7.427 -4.931 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.698 7.950 -3.269 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.573 9.466 -4.880 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.461 8.797 -3.702 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.300 8.871 -6.160 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.572 7.388 -5.267 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.912 7.590 -6.883 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.395 6.275 -6.622 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.090 4.997 -7.803 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -2.285 5.913 -8.340 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.986 4.796 -8.770 1.00 3.78 H new ATOM 561 N TRP A 39 0.566 5.910 -2.965 1.00 0.22 N ATOM 562 CA TRP A 39 1.624 5.988 -2.020 1.00 0.22 C ATOM 563 C TRP A 39 2.352 7.276 -2.208 1.00 0.20 C ATOM 564 O TRP A 39 2.542 7.742 -3.343 1.00 0.26 O ATOM 565 CB TRP A 39 2.594 4.829 -2.173 1.00 0.25 C ATOM 566 CG TRP A 39 2.002 3.502 -1.882 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.365 2.692 -2.759 1.00 0.29 C ATOM 568 CD2 TRP A 39 1.996 2.823 -0.623 1.00 0.24 C ATOM 569 NE1 TRP A 39 0.961 1.551 -2.133 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.335 1.601 -0.821 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.486 3.130 0.650 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.150 0.680 0.201 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.302 2.213 1.665 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.639 1.001 1.432 1.00 0.26 C ATOM 0 H TRP A 39 0.853 5.628 -3.902 1.00 0.22 H new ATOM 0 HA TRP A 39 1.195 5.937 -1.019 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.982 4.826 -3.192 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.443 4.990 -1.509 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.201 2.917 -3.802 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.459 0.781 -2.575 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.997 4.063 0.835 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.638 -0.255 0.027 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.675 2.433 2.654 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.512 0.304 2.247 1.00 0.26 H new ATOM 585 N LEU A 40 2.716 7.863 -1.138 1.00 0.25 N ATOM 586 CA LEU A 40 3.475 9.054 -1.163 1.00 0.24 C ATOM 587 C LEU A 40 4.766 8.739 -0.444 1.00 0.27 C ATOM 588 O LEU A 40 4.744 8.189 0.658 1.00 0.34 O ATOM 589 CB LEU A 40 2.707 10.167 -0.452 1.00 0.31 C ATOM 590 CG LEU A 40 3.158 11.592 -0.713 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.889 11.951 -2.157 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.435 12.546 0.209 1.00 0.95 C ATOM 0 H LEU A 40 2.493 7.527 -0.201 1.00 0.25 H new ATOM 0 HA LEU A 40 3.672 9.396 -2.179 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.657 10.087 -0.734 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.764 9.985 0.621 1.00 0.31 H new ATOM 0 HG LEU A 40 4.228 11.671 -0.519 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.213 12.975 -2.344 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.438 11.272 -2.809 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.822 11.866 -2.360 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.768 13.565 0.012 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.361 12.475 0.037 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.654 12.287 1.245 1.00 0.95 H new ATOM 604 N PHE A 41 5.860 9.023 -1.069 1.00 0.28 N ATOM 605 CA PHE A 41 7.146 8.721 -0.524 1.00 0.35 C ATOM 606 C PHE A 41 7.956 9.975 -0.398 1.00 0.38 C ATOM 607 O PHE A 41 8.333 10.578 -1.402 1.00 0.41 O ATOM 608 CB PHE A 41 7.882 7.681 -1.390 1.00 0.45 C ATOM 609 CG PHE A 41 9.305 7.425 -0.958 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.366 7.808 -1.755 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.574 6.793 0.250 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.666 7.566 -1.363 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.874 6.551 0.645 1.00 0.74 C ATOM 614 CZ PHE A 41 11.924 6.970 -0.161 1.00 0.86 C ATOM 0 H PHE A 41 5.889 9.476 -1.982 1.00 0.28 H new ATOM 0 HA PHE A 41 7.009 8.290 0.468 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.329 6.742 -1.362 1.00 0.45 H new ATOM 0 HB3 PHE A 41 7.882 8.020 -2.426 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.175 8.303 -2.696 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.757 6.488 0.887 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.484 7.849 -2.009 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.073 6.039 1.575 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.944 6.825 0.162 1.00 0.86 H new ATOM 624 N ASN A 42 8.162 10.398 0.836 1.00 0.46 N ATOM 625 CA ASN A 42 8.991 11.562 1.169 1.00 0.57 C ATOM 626 C ASN A 42 8.388 12.835 0.541 1.00 0.53 C ATOM 627 O ASN A 42 9.087 13.780 0.188 1.00 0.69 O ATOM 628 CB ASN A 42 10.446 11.309 0.675 1.00 0.73 C ATOM 629 CG ASN A 42 11.489 12.304 1.163 1.00 1.12 C ATOM 630 OD1 ASN A 42 11.364 12.762 2.383 1.00 1.79 O flip ATOM 631 ND2 ASN A 42 12.441 12.615 0.442 1.00 1.72 N flip ATOM 0 H ASN A 42 7.756 9.942 1.653 1.00 0.46 H new ATOM 0 HA ASN A 42 9.016 11.710 2.249 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.748 10.310 0.989 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.447 11.315 -0.415 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.508 12.240 -0.504 1.00 1.72 H new ATOM 0 HD22 ASN A 42 13.161 13.247 0.792 1.00 1.72 H new ATOM 638 N GLY A 43 7.071 12.825 0.394 1.00 0.45 N ATOM 639 CA GLY A 43 6.362 13.939 -0.210 1.00 0.51 C ATOM 640 C GLY A 43 6.167 13.765 -1.709 1.00 0.47 C ATOM 641 O GLY A 43 5.318 14.410 -2.310 1.00 0.61 O ATOM 0 H GLY A 43 6.472 12.053 0.687 1.00 0.45 H new ATOM 0 HA2 GLY A 43 5.389 14.048 0.269 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.914 14.860 -0.024 1.00 0.51 H new ATOM 645 N SER A 44 6.911 12.869 -2.289 1.00 0.38 N ATOM 646 CA SER A 44 6.889 12.644 -3.711 1.00 0.40 C ATOM 647 C SER A 44 5.901 11.541 -4.019 1.00 0.33 C ATOM 648 O SER A 44 5.739 10.597 -3.237 1.00 0.28 O ATOM 649 CB SER A 44 8.310 12.271 -4.177 1.00 0.51 C ATOM 650 OG SER A 44 8.407 12.188 -5.588 1.00 1.37 O ATOM 0 H SER A 44 7.559 12.265 -1.784 1.00 0.38 H new ATOM 0 HA SER A 44 6.576 13.543 -4.242 1.00 0.40 H new ATOM 0 HB2 SER A 44 9.018 13.014 -3.809 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.595 11.315 -3.738 1.00 0.51 H new ATOM 0 HG SER A 44 9.324 11.951 -5.839 1.00 1.37 H new ATOM 656 N VAL A 45 5.203 11.694 -5.118 1.00 0.41 N ATOM 657 CA VAL A 45 4.240 10.722 -5.551 1.00 0.41 C ATOM 658 C VAL A 45 4.934 9.438 -5.953 1.00 0.39 C ATOM 659 O VAL A 45 5.656 9.388 -6.959 1.00 0.45 O ATOM 660 CB VAL A 45 3.353 11.262 -6.702 1.00 0.55 C ATOM 661 CG1 VAL A 45 2.535 10.157 -7.318 1.00 0.68 C ATOM 662 CG2 VAL A 45 2.423 12.316 -6.172 1.00 0.70 C ATOM 0 H VAL A 45 5.290 12.500 -5.736 1.00 0.41 H new ATOM 0 HA VAL A 45 3.578 10.511 -4.711 1.00 0.41 H new ATOM 0 HB VAL A 45 4.008 11.684 -7.464 1.00 0.55 H new ATOM 0 HG11 VAL A 45 1.922 10.563 -8.123 1.00 0.68 H new ATOM 0 HG12 VAL A 45 3.200 9.392 -7.719 1.00 0.68 H new ATOM 0 HG13 VAL A 45 1.890 9.715 -6.558 1.00 0.68 H new ATOM 0 HG21 VAL A 45 1.801 12.694 -6.983 1.00 0.70 H new ATOM 0 HG22 VAL A 45 1.788 11.885 -5.398 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.005 13.135 -5.749 1.00 0.70 H new ATOM 672 N LEU A 46 4.727 8.420 -5.164 1.00 0.37 N ATOM 673 CA LEU A 46 5.328 7.158 -5.406 1.00 0.40 C ATOM 674 C LEU A 46 4.497 6.396 -6.407 1.00 0.44 C ATOM 675 O LEU A 46 3.436 5.836 -6.081 1.00 0.51 O ATOM 676 CB LEU A 46 5.495 6.364 -4.102 1.00 0.44 C ATOM 677 CG LEU A 46 6.176 4.991 -4.220 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.599 5.130 -4.747 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.175 4.276 -2.881 1.00 0.61 C ATOM 0 H LEU A 46 4.133 8.453 -4.335 1.00 0.37 H new ATOM 0 HA LEU A 46 6.326 7.311 -5.816 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.070 6.972 -3.403 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.509 6.219 -3.661 1.00 0.44 H new ATOM 0 HG LEU A 46 5.606 4.394 -4.932 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.058 4.144 -4.821 1.00 0.57 H new ATOM 0 HD12 LEU A 46 7.578 5.595 -5.733 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.181 5.751 -4.065 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.661 3.306 -2.986 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.715 4.875 -2.148 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.148 4.132 -2.546 1.00 0.61 H new ATOM 691 N ASN A 47 4.924 6.470 -7.630 1.00 0.54 N ATOM 692 CA ASN A 47 4.333 5.722 -8.700 1.00 0.59 C ATOM 693 C ASN A 47 4.971 4.354 -8.693 1.00 0.53 C ATOM 694 O ASN A 47 6.204 4.243 -8.662 1.00 0.64 O ATOM 695 CB ASN A 47 4.556 6.435 -10.043 1.00 0.79 C ATOM 696 CG ASN A 47 4.037 5.648 -11.234 1.00 1.54 C ATOM 697 OD1 ASN A 47 2.861 5.735 -11.584 1.00 2.47 O ATOM 698 ND2 ASN A 47 4.909 4.936 -11.902 1.00 1.94 N ATOM 0 H ASN A 47 5.704 7.060 -7.919 1.00 0.54 H new ATOM 0 HA ASN A 47 3.255 5.634 -8.565 1.00 0.59 H new ATOM 0 HB2 ASN A 47 4.064 7.407 -10.016 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.622 6.621 -10.175 1.00 0.79 H new ATOM 0 HD21 ASN A 47 4.621 4.432 -12.741 1.00 1.94 H new ATOM 0 HD22 ASN A 47 5.877 4.885 -11.584 1.00 1.94 H new ATOM 705 N GLU A 48 4.144 3.337 -8.669 1.00 0.49 N ATOM 706 CA GLU A 48 4.580 1.959 -8.555 1.00 0.53 C ATOM 707 C GLU A 48 5.455 1.575 -9.734 1.00 0.53 C ATOM 708 O GLU A 48 5.015 1.629 -10.894 1.00 0.70 O ATOM 709 CB GLU A 48 3.389 0.985 -8.483 1.00 0.69 C ATOM 710 CG GLU A 48 2.191 1.448 -7.666 1.00 0.74 C ATOM 711 CD GLU A 48 1.279 2.351 -8.461 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.474 3.568 -8.427 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.328 1.861 -9.098 1.00 1.74 O ATOM 0 H GLU A 48 3.131 3.441 -8.729 1.00 0.49 H new ATOM 0 HA GLU A 48 5.150 1.884 -7.629 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.052 0.780 -9.499 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.743 0.041 -8.068 1.00 0.69 H new ATOM 0 HG2 GLU A 48 1.630 0.579 -7.321 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.540 1.976 -6.778 1.00 0.74 H new ATOM 720 N THR A 49 6.656 1.188 -9.444 1.00 0.53 N ATOM 721 CA THR A 49 7.605 0.822 -10.444 1.00 0.58 C ATOM 722 C THR A 49 7.792 -0.688 -10.450 1.00 0.60 C ATOM 723 O THR A 49 7.006 -1.416 -9.836 1.00 0.65 O ATOM 724 CB THR A 49 8.969 1.507 -10.179 1.00 0.71 C ATOM 725 OG1 THR A 49 9.416 1.232 -8.832 1.00 1.57 O ATOM 726 CG2 THR A 49 8.882 3.005 -10.396 1.00 0.98 C ATOM 0 H THR A 49 7.010 1.117 -8.490 1.00 0.53 H new ATOM 0 HA THR A 49 7.228 1.150 -11.413 1.00 0.58 H new ATOM 0 HB THR A 49 9.690 1.099 -10.887 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.280 1.669 -8.678 1.00 1.57 H new ATOM 0 HG21 THR A 49 9.854 3.458 -10.202 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.586 3.207 -11.425 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.143 3.429 -9.716 1.00 0.98 H new ATOM 734 N SER A 50 8.804 -1.160 -11.126 1.00 0.68 N ATOM 735 CA SER A 50 9.114 -2.559 -11.096 1.00 0.78 C ATOM 736 C SER A 50 9.906 -2.866 -9.804 1.00 0.72 C ATOM 737 O SER A 50 9.994 -4.014 -9.365 1.00 0.86 O ATOM 738 CB SER A 50 9.918 -2.938 -12.354 1.00 0.96 C ATOM 739 OG SER A 50 10.124 -4.343 -12.467 1.00 1.52 O ATOM 0 H SER A 50 9.426 -0.595 -11.703 1.00 0.68 H new ATOM 0 HA SER A 50 8.200 -3.153 -11.094 1.00 0.78 H new ATOM 0 HB2 SER A 50 9.393 -2.579 -13.239 1.00 0.96 H new ATOM 0 HB3 SER A 50 10.884 -2.433 -12.330 1.00 0.96 H new ATOM 0 HG SER A 50 10.637 -4.534 -13.280 1.00 1.52 H new ATOM 745 N PHE A 51 10.442 -1.816 -9.181 1.00 0.64 N ATOM 746 CA PHE A 51 11.245 -1.966 -7.976 1.00 0.68 C ATOM 747 C PHE A 51 10.373 -1.877 -6.747 1.00 0.55 C ATOM 748 O PHE A 51 10.519 -2.664 -5.811 1.00 0.61 O ATOM 749 CB PHE A 51 12.305 -0.856 -7.905 1.00 0.87 C ATOM 750 CG PHE A 51 13.339 -0.910 -8.984 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.607 -1.414 -8.734 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.041 -0.465 -10.252 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.551 -1.463 -9.733 1.00 1.59 C ATOM 754 CE2 PHE A 51 13.979 -0.513 -11.252 1.00 1.37 C ATOM 755 CZ PHE A 51 15.265 -1.011 -10.968 1.00 1.52 C ATOM 0 H PHE A 51 10.332 -0.852 -9.495 1.00 0.64 H new ATOM 0 HA PHE A 51 11.730 -2.942 -8.012 1.00 0.68 H new ATOM 0 HB2 PHE A 51 11.803 0.110 -7.950 1.00 0.87 H new ATOM 0 HB3 PHE A 51 12.805 -0.911 -6.938 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.855 -1.771 -7.746 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.057 -0.073 -10.462 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.530 -1.868 -9.525 1.00 1.59 H new ATOM 0 HE2 PHE A 51 13.733 -0.172 -12.247 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.020 -1.030 -11.740 1.00 1.52 H new ATOM 765 N ILE A 52 9.448 -0.952 -6.771 1.00 0.46 N ATOM 766 CA ILE A 52 8.555 -0.730 -5.659 1.00 0.39 C ATOM 767 C ILE A 52 7.153 -0.845 -6.209 1.00 0.37 C ATOM 768 O ILE A 52 6.697 0.056 -6.911 1.00 0.43 O ATOM 769 CB ILE A 52 8.726 0.711 -5.089 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.207 1.064 -4.898 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.004 0.833 -3.754 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.440 2.498 -4.468 1.00 0.50 C ATOM 0 H ILE A 52 9.291 -0.329 -7.563 1.00 0.46 H new ATOM 0 HA ILE A 52 8.761 -1.447 -4.865 1.00 0.39 H new ATOM 0 HB ILE A 52 8.294 1.406 -5.809 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.638 0.396 -4.152 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.738 0.883 -5.833 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.129 1.843 -3.364 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.943 0.627 -3.894 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.422 0.116 -3.047 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.509 2.674 -4.353 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.040 3.174 -5.224 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.938 2.679 -3.517 1.00 0.50 H new ATOM 784 N PHE A 53 6.469 -1.921 -5.916 1.00 0.33 N ATOM 785 CA PHE A 53 5.173 -2.129 -6.504 1.00 0.37 C ATOM 786 C PHE A 53 4.137 -2.487 -5.445 1.00 0.31 C ATOM 787 O PHE A 53 4.434 -3.177 -4.469 1.00 0.29 O ATOM 788 CB PHE A 53 5.261 -3.207 -7.615 1.00 0.48 C ATOM 789 CG PHE A 53 3.967 -3.455 -8.352 1.00 1.06 C ATOM 790 CD1 PHE A 53 3.411 -2.473 -9.143 1.00 1.95 C ATOM 791 CD2 PHE A 53 3.329 -4.676 -8.270 1.00 1.15 C ATOM 792 CE1 PHE A 53 2.244 -2.700 -9.841 1.00 2.87 C ATOM 793 CE2 PHE A 53 2.160 -4.911 -8.962 1.00 2.02 C ATOM 794 CZ PHE A 53 1.564 -3.896 -9.662 1.00 2.89 C ATOM 0 H PHE A 53 6.783 -2.657 -5.283 1.00 0.33 H new ATOM 0 HA PHE A 53 4.843 -1.197 -6.963 1.00 0.37 H new ATOM 0 HB2 PHE A 53 6.022 -2.907 -8.335 1.00 0.48 H new ATOM 0 HB3 PHE A 53 5.595 -4.144 -7.169 1.00 0.48 H new ATOM 0 HD1 PHE A 53 3.897 -1.511 -9.217 1.00 1.95 H new ATOM 0 HD2 PHE A 53 3.751 -5.458 -7.656 1.00 1.15 H new ATOM 0 HE1 PHE A 53 1.862 -1.953 -10.521 1.00 2.87 H new ATOM 0 HE2 PHE A 53 1.715 -5.895 -8.952 1.00 2.02 H new ATOM 0 HZ PHE A 53 0.573 -4.025 -10.071 1.00 2.89 H new ATOM 804 N THR A 54 2.944 -1.972 -5.623 1.00 0.35 N ATOM 805 CA THR A 54 1.849 -2.245 -4.743 1.00 0.35 C ATOM 806 C THR A 54 1.207 -3.559 -5.150 1.00 0.35 C ATOM 807 O THR A 54 0.590 -3.656 -6.208 1.00 0.40 O ATOM 808 CB THR A 54 0.816 -1.117 -4.841 1.00 0.39 C ATOM 809 OG1 THR A 54 1.482 0.127 -4.599 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.289 -1.299 -3.815 1.00 0.44 C ATOM 0 H THR A 54 2.711 -1.346 -6.393 1.00 0.35 H new ATOM 0 HA THR A 54 2.209 -2.311 -3.716 1.00 0.35 H new ATOM 0 HB THR A 54 0.366 -1.131 -5.834 1.00 0.39 H new ATOM 0 HG1 THR A 54 0.836 0.861 -4.659 1.00 0.43 H new ATOM 0 HG21 THR A 54 -1.008 -0.485 -3.907 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.793 -2.250 -3.988 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.140 -1.293 -2.813 1.00 0.44 H new ATOM 818 N GLU A 55 1.373 -4.552 -4.342 1.00 0.36 N ATOM 819 CA GLU A 55 0.840 -5.832 -4.636 1.00 0.42 C ATOM 820 C GLU A 55 -0.287 -6.145 -3.713 1.00 0.44 C ATOM 821 O GLU A 55 -0.391 -5.591 -2.623 1.00 0.57 O ATOM 822 CB GLU A 55 1.917 -6.901 -4.578 1.00 0.60 C ATOM 823 CG GLU A 55 2.991 -6.673 -5.605 1.00 1.21 C ATOM 824 CD GLU A 55 3.999 -7.761 -5.665 1.00 1.38 C ATOM 825 OE1 GLU A 55 3.781 -8.745 -6.345 1.00 1.67 O ATOM 826 OE2 GLU A 55 5.055 -7.652 -4.983 1.00 2.04 O ATOM 0 H GLU A 55 1.883 -4.495 -3.460 1.00 0.36 H new ATOM 0 HA GLU A 55 0.453 -5.819 -5.655 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.363 -6.913 -3.583 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.465 -7.880 -4.737 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.527 -6.565 -6.585 1.00 1.21 H new ATOM 0 HG3 GLU A 55 3.497 -5.733 -5.386 1.00 1.21 H new ATOM 833 N PHE A 56 -1.139 -6.986 -4.151 1.00 0.52 N ATOM 834 CA PHE A 56 -2.268 -7.386 -3.393 1.00 0.62 C ATOM 835 C PHE A 56 -2.203 -8.876 -3.227 1.00 0.73 C ATOM 836 O PHE A 56 -1.597 -9.572 -4.056 1.00 0.87 O ATOM 837 CB PHE A 56 -3.566 -6.970 -4.111 1.00 0.68 C ATOM 838 CG PHE A 56 -3.712 -5.475 -4.308 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.378 -4.694 -3.369 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.191 -4.855 -5.431 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.524 -3.332 -3.552 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.331 -3.494 -5.616 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.964 -2.725 -4.663 1.00 0.61 C ATOM 0 H PHE A 56 -1.075 -7.429 -5.067 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.265 -6.902 -2.416 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.603 -7.459 -5.084 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.418 -7.335 -3.538 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.787 -5.159 -2.484 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.669 -5.443 -6.171 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -5.073 -2.744 -2.831 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.943 -3.030 -6.511 1.00 0.59 H new ATOM 0 HZ PHE A 56 -4.023 -1.653 -4.783 1.00 0.61 H new ATOM 853 N LEU A 57 -2.747 -9.358 -2.166 1.00 0.77 N ATOM 854 CA LEU A 57 -2.817 -10.768 -1.923 1.00 0.93 C ATOM 855 C LEU A 57 -4.252 -11.150 -2.088 1.00 1.04 C ATOM 856 O LEU A 57 -5.076 -10.250 -2.208 1.00 1.04 O ATOM 857 CB LEU A 57 -2.220 -11.144 -0.530 1.00 1.01 C ATOM 858 CG LEU A 57 -2.833 -10.528 0.744 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.093 -11.260 1.170 1.00 1.25 C ATOM 860 CD2 LEU A 57 -1.816 -10.511 1.870 1.00 1.16 C ATOM 0 H LEU A 57 -3.162 -8.785 -1.431 1.00 0.77 H new ATOM 0 HA LEU A 57 -2.206 -11.331 -2.629 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -2.278 -12.228 -0.430 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.162 -10.881 -0.545 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.114 -9.501 0.512 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -4.496 -10.797 2.071 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -4.833 -11.205 0.372 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -3.856 -12.304 1.374 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.267 -10.073 2.761 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -1.498 -11.530 2.088 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -0.952 -9.917 1.571 1.00 1.16 H new ATOM 872 N GLU A 58 -4.542 -12.434 -2.191 1.00 1.18 N ATOM 873 CA GLU A 58 -5.918 -12.939 -2.342 1.00 1.31 C ATOM 874 C GLU A 58 -6.832 -12.337 -1.258 1.00 1.24 C ATOM 875 O GLU A 58 -6.779 -12.746 -0.101 1.00 1.32 O ATOM 876 CB GLU A 58 -5.947 -14.476 -2.255 1.00 1.61 C ATOM 877 CG GLU A 58 -5.253 -15.212 -3.406 1.00 2.01 C ATOM 878 CD GLU A 58 -3.769 -14.928 -3.515 1.00 2.65 C ATOM 879 OE1 GLU A 58 -3.020 -15.227 -2.566 1.00 3.36 O ATOM 880 OE2 GLU A 58 -3.333 -14.387 -4.532 1.00 2.90 O ATOM 0 H GLU A 58 -3.835 -13.169 -2.174 1.00 1.18 H new ATOM 0 HA GLU A 58 -6.284 -12.638 -3.324 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -5.480 -14.779 -1.318 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -6.986 -14.801 -2.212 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -5.398 -16.285 -3.278 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -5.735 -14.935 -4.344 1.00 2.01 H new ATOM 887 N PRO A 59 -7.657 -11.343 -1.612 1.00 1.21 N ATOM 888 CA PRO A 59 -8.445 -10.615 -0.657 1.00 1.25 C ATOM 889 C PRO A 59 -9.802 -11.238 -0.396 1.00 1.26 C ATOM 890 O PRO A 59 -10.553 -11.555 -1.337 1.00 1.35 O ATOM 891 CB PRO A 59 -8.594 -9.233 -1.303 1.00 1.37 C ATOM 892 CG PRO A 59 -8.385 -9.446 -2.777 1.00 1.39 C ATOM 893 CD PRO A 59 -7.922 -10.877 -2.977 1.00 1.30 C ATOM 0 HA PRO A 59 -7.969 -10.598 0.323 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -9.580 -8.813 -1.104 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -7.862 -8.532 -0.901 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -9.310 -9.264 -3.324 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -7.643 -8.747 -3.163 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -8.685 -11.481 -3.467 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -7.028 -10.927 -3.599 1.00 1.30 H new ATOM 901 N ALA A 60 -10.103 -11.418 0.866 1.00 1.29 N ATOM 902 CA ALA A 60 -11.379 -11.922 1.290 1.00 1.40 C ATOM 903 C ALA A 60 -12.457 -10.904 0.993 1.00 1.40 C ATOM 904 O ALA A 60 -12.399 -9.778 1.464 1.00 1.33 O ATOM 905 CB ALA A 60 -11.357 -12.218 2.777 1.00 1.53 C ATOM 0 H ALA A 60 -9.461 -11.216 1.632 1.00 1.29 H new ATOM 0 HA ALA A 60 -11.590 -12.843 0.747 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -12.330 -12.599 3.086 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -10.591 -12.964 2.988 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -11.134 -11.304 3.327 1.00 1.53 H new ATOM 911 N ALA A 61 -13.425 -11.300 0.206 1.00 1.55 N ATOM 912 CA ALA A 61 -14.537 -10.439 -0.135 1.00 1.65 C ATOM 913 C ALA A 61 -15.623 -10.562 0.911 1.00 1.59 C ATOM 914 O ALA A 61 -16.659 -9.889 0.838 1.00 1.70 O ATOM 915 CB ALA A 61 -15.079 -10.791 -1.493 1.00 1.91 C ATOM 0 H ALA A 61 -13.468 -12.227 -0.218 1.00 1.55 H new ATOM 0 HA ALA A 61 -14.186 -9.407 -0.162 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -15.915 -10.133 -1.733 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -14.295 -10.669 -2.240 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -15.421 -11.826 -1.491 1.00 1.91 H new ATOM 921 N ASN A 62 -15.407 -11.474 1.849 1.00 1.52 N ATOM 922 CA ASN A 62 -16.283 -11.645 3.001 1.00 1.56 C ATOM 923 C ASN A 62 -16.222 -10.373 3.818 1.00 1.33 C ATOM 924 O ASN A 62 -17.236 -9.859 4.285 1.00 1.40 O ATOM 925 CB ASN A 62 -15.798 -12.855 3.839 1.00 1.82 C ATOM 926 CG ASN A 62 -16.625 -13.172 5.096 1.00 2.72 C ATOM 927 OD1 ASN A 62 -17.197 -12.303 5.752 1.00 3.49 O ATOM 928 ND2 ASN A 62 -16.683 -14.426 5.441 1.00 3.19 N ATOM 0 H ASN A 62 -14.617 -12.119 1.833 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.310 -11.836 2.689 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -15.792 -13.737 3.199 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -14.767 -12.674 4.142 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -17.210 -14.703 6.269 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -16.201 -15.131 4.883 1.00 3.19 H new ATOM 935 N GLU A 63 -15.040 -9.836 3.906 1.00 1.20 N ATOM 936 CA GLU A 63 -14.788 -8.649 4.652 1.00 1.07 C ATOM 937 C GLU A 63 -14.657 -7.491 3.679 1.00 0.90 C ATOM 938 O GLU A 63 -14.489 -7.698 2.478 1.00 0.97 O ATOM 939 CB GLU A 63 -13.516 -8.846 5.472 1.00 1.16 C ATOM 940 CG GLU A 63 -12.251 -9.039 4.660 1.00 1.31 C ATOM 941 CD GLU A 63 -11.064 -9.333 5.531 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.412 -8.390 6.011 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.762 -10.519 5.766 1.00 1.89 O ATOM 0 H GLU A 63 -14.213 -10.222 3.451 1.00 1.20 H new ATOM 0 HA GLU A 63 -15.604 -8.430 5.341 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -13.384 -7.981 6.122 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -13.650 -9.713 6.119 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.394 -9.857 3.954 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.057 -8.142 4.073 1.00 1.31 H new ATOM 950 N THR A 64 -14.750 -6.291 4.174 1.00 0.80 N ATOM 951 CA THR A 64 -14.679 -5.125 3.328 1.00 0.74 C ATOM 952 C THR A 64 -13.262 -4.565 3.271 1.00 0.59 C ATOM 953 O THR A 64 -13.064 -3.392 2.965 1.00 0.61 O ATOM 954 CB THR A 64 -15.662 -4.039 3.831 1.00 0.90 C ATOM 955 OG1 THR A 64 -15.391 -3.727 5.214 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.097 -4.527 3.705 1.00 1.15 C ATOM 0 H THR A 64 -14.876 -6.089 5.166 1.00 0.80 H new ATOM 0 HA THR A 64 -14.962 -5.425 2.319 1.00 0.74 H new ATOM 0 HB THR A 64 -15.528 -3.146 3.221 1.00 0.90 H new ATOM 0 HG1 THR A 64 -15.016 -2.824 5.278 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.777 -3.754 4.062 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.316 -4.748 2.660 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.228 -5.429 4.302 1.00 1.15 H new ATOM 964 N VAL A 65 -12.285 -5.409 3.542 1.00 0.53 N ATOM 965 CA VAL A 65 -10.912 -4.980 3.621 1.00 0.45 C ATOM 966 C VAL A 65 -10.075 -5.653 2.546 1.00 0.42 C ATOM 967 O VAL A 65 -10.087 -6.876 2.401 1.00 0.49 O ATOM 968 CB VAL A 65 -10.282 -5.301 5.002 1.00 0.52 C ATOM 969 CG1 VAL A 65 -8.904 -4.695 5.128 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.168 -4.851 6.138 1.00 0.61 C ATOM 0 H VAL A 65 -12.425 -6.405 3.712 1.00 0.53 H new ATOM 0 HA VAL A 65 -10.916 -3.900 3.475 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.185 -6.385 5.067 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.488 -4.937 6.106 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.257 -5.098 4.349 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -8.971 -3.612 5.020 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.692 -5.093 7.088 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.323 -3.774 6.074 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.130 -5.360 6.073 1.00 0.61 H new ATOM 980 N ARG A 66 -9.340 -4.861 1.822 1.00 0.37 N ATOM 981 CA ARG A 66 -8.441 -5.365 0.825 1.00 0.36 C ATOM 982 C ARG A 66 -7.108 -5.552 1.493 1.00 0.34 C ATOM 983 O ARG A 66 -6.646 -4.664 2.222 1.00 0.41 O ATOM 984 CB ARG A 66 -8.286 -4.387 -0.340 1.00 0.42 C ATOM 985 CG ARG A 66 -9.590 -3.955 -0.968 1.00 1.13 C ATOM 986 CD ARG A 66 -9.352 -3.074 -2.179 1.00 1.10 C ATOM 987 NE ARG A 66 -10.609 -2.550 -2.703 1.00 0.82 N ATOM 988 CZ ARG A 66 -11.128 -2.819 -3.913 1.00 1.15 C ATOM 989 NH1 ARG A 66 -10.465 -3.593 -4.786 1.00 1.61 N ATOM 990 NH2 ARG A 66 -12.316 -2.315 -4.238 1.00 1.84 N ATOM 0 H ARG A 66 -9.347 -3.845 1.906 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.830 -6.298 0.418 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -7.755 -3.502 0.012 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -7.663 -4.849 -1.106 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -10.164 -4.834 -1.262 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -10.188 -3.415 -0.234 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -8.695 -2.248 -1.908 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -8.842 -3.646 -2.954 1.00 1.10 H new ATOM 0 HE ARG A 66 -11.141 -1.924 -2.098 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -9.557 -3.984 -4.534 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -10.869 -3.790 -5.702 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -12.822 -1.732 -3.572 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -12.720 -2.512 -5.153 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.507 -6.680 1.289 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.238 -6.965 1.910 1.00 0.39 C ATOM 1006 C HIS A 67 -4.175 -7.050 0.857 1.00 0.35 C ATOM 1007 O HIS A 67 -4.331 -7.758 -0.144 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.283 -8.260 2.739 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.208 -8.205 3.917 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -5.781 -7.998 5.203 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.552 -8.323 3.988 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -6.819 -7.984 6.009 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -7.900 -8.175 5.296 1.00 0.90 N ATOM 0 H HIS A 67 -6.870 -7.426 0.696 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.006 -6.153 2.599 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.587 -9.082 2.091 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.277 -8.487 3.092 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.224 -8.501 3.162 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -6.786 -7.839 7.079 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -8.852 -8.208 5.662 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.129 -6.323 1.052 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.066 -6.316 0.115 1.00 0.31 C ATOM 1024 C GLY A 68 -0.774 -5.992 0.775 1.00 0.24 C ATOM 1025 O GLY A 68 -0.700 -5.927 2.000 1.00 0.26 O ATOM 0 H GLY A 68 -2.989 -5.720 1.863 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -1.997 -7.290 -0.369 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.272 -5.586 -0.668 1.00 0.31 H new ATOM 1029 N CYS A 69 0.214 -5.745 -0.013 1.00 0.21 N ATOM 1030 CA CYS A 69 1.522 -5.457 0.465 1.00 0.20 C ATOM 1031 C CYS A 69 2.271 -4.578 -0.514 1.00 0.19 C ATOM 1032 O CYS A 69 2.238 -4.807 -1.723 1.00 0.22 O ATOM 1033 CB CYS A 69 2.303 -6.756 0.679 1.00 0.25 C ATOM 1034 SG CYS A 69 4.070 -6.496 1.013 1.00 0.36 S ATOM 0 H CYS A 69 0.134 -5.737 -1.030 1.00 0.21 H new ATOM 0 HA CYS A 69 1.426 -4.928 1.413 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.861 -7.303 1.512 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.198 -7.383 -0.206 1.00 0.25 H new ATOM 1039 N LEU A 70 2.899 -3.553 -0.012 1.00 0.20 N ATOM 1040 CA LEU A 70 3.807 -2.795 -0.810 1.00 0.22 C ATOM 1041 C LEU A 70 5.109 -3.539 -0.719 1.00 0.23 C ATOM 1042 O LEU A 70 5.880 -3.363 0.236 1.00 0.24 O ATOM 1043 CB LEU A 70 3.984 -1.367 -0.286 1.00 0.24 C ATOM 1044 CG LEU A 70 4.903 -0.462 -1.121 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.288 -0.152 -2.471 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.236 0.811 -0.381 1.00 0.28 C ATOM 0 H LEU A 70 2.796 -3.226 0.949 1.00 0.20 H new ATOM 0 HA LEU A 70 3.440 -2.695 -1.831 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.002 -0.898 -0.223 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.379 -1.418 0.729 1.00 0.24 H new ATOM 0 HG LEU A 70 5.832 -1.006 -1.290 1.00 0.25 H new ATOM 0 HD11 LEU A 70 4.961 0.490 -3.039 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.124 -1.080 -3.018 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.335 0.358 -2.328 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.888 1.430 -0.997 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.318 1.356 -0.163 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.744 0.567 0.552 1.00 0.28 H new ATOM 1058 N ARG A 71 5.304 -4.432 -1.626 1.00 0.30 N ATOM 1059 CA ARG A 71 6.457 -5.244 -1.598 1.00 0.35 C ATOM 1060 C ARG A 71 7.497 -4.666 -2.479 1.00 0.36 C ATOM 1061 O ARG A 71 7.277 -4.439 -3.681 1.00 0.42 O ATOM 1062 CB ARG A 71 6.129 -6.697 -1.958 1.00 0.51 C ATOM 1063 CG ARG A 71 7.342 -7.621 -2.010 1.00 1.20 C ATOM 1064 CD ARG A 71 6.925 -9.079 -2.109 1.00 1.20 C ATOM 1065 NE ARG A 71 6.016 -9.332 -3.230 1.00 1.43 N ATOM 1066 CZ ARG A 71 5.427 -10.499 -3.493 1.00 1.80 C ATOM 1067 NH1 ARG A 71 5.701 -11.569 -2.767 1.00 1.98 N ATOM 1068 NH2 ARG A 71 4.579 -10.588 -4.495 1.00 2.68 N ATOM 0 H ARG A 71 4.668 -4.615 -2.402 1.00 0.30 H new ATOM 0 HA ARG A 71 6.850 -5.265 -0.582 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.420 -7.088 -1.228 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.631 -6.715 -2.928 1.00 0.51 H new ATOM 0 HG2 ARG A 71 7.964 -7.360 -2.866 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.951 -7.475 -1.118 1.00 1.20 H new ATOM 0 HD2 ARG A 71 7.814 -9.700 -2.220 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.441 -9.378 -1.179 1.00 1.20 H new ATOM 0 HE ARG A 71 5.818 -8.554 -3.859 1.00 1.43 H new ATOM 0 HH11 ARG A 71 6.368 -11.506 -1.998 1.00 1.98 H new ATOM 0 HH12 ARG A 71 5.245 -12.457 -2.976 1.00 1.98 H new ATOM 0 HH21 ARG A 71 4.376 -9.767 -5.065 1.00 2.68 H new ATOM 0 HH22 ARG A 71 4.125 -11.478 -4.701 1.00 2.68 H new ATOM 1082 N LEU A 72 8.607 -4.372 -1.891 1.00 0.37 N ATOM 1083 CA LEU A 72 9.678 -3.853 -2.628 1.00 0.42 C ATOM 1084 C LEU A 72 10.423 -5.021 -3.192 1.00 0.44 C ATOM 1085 O LEU A 72 11.065 -5.796 -2.463 1.00 0.49 O ATOM 1086 CB LEU A 72 10.566 -2.928 -1.780 1.00 0.50 C ATOM 1087 CG LEU A 72 9.832 -1.736 -1.124 1.00 0.70 C ATOM 1088 CD1 LEU A 72 9.241 -2.077 0.242 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.699 -0.506 -1.070 1.00 0.61 C ATOM 0 H LEU A 72 8.784 -4.488 -0.893 1.00 0.37 H new ATOM 0 HA LEU A 72 9.319 -3.218 -3.438 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.037 -3.521 -0.996 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.366 -2.540 -2.410 1.00 0.50 H new ATOM 0 HG LEU A 72 8.984 -1.509 -1.771 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.739 -1.200 0.651 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.522 -2.889 0.135 1.00 1.23 H new ATOM 0 HD13 LEU A 72 10.039 -2.386 0.917 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.146 0.309 -0.602 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.595 -0.718 -0.487 1.00 0.61 H new ATOM 0 HD23 LEU A 72 10.984 -0.217 -2.082 1.00 0.61 H new ATOM 1101 N ASN A 73 10.280 -5.163 -4.484 1.00 0.56 N ATOM 1102 CA ASN A 73 10.805 -6.280 -5.229 1.00 0.72 C ATOM 1103 C ASN A 73 12.316 -6.272 -5.207 1.00 0.73 C ATOM 1104 O ASN A 73 12.956 -7.323 -5.051 1.00 0.87 O ATOM 1105 CB ASN A 73 10.262 -6.239 -6.669 1.00 0.90 C ATOM 1106 CG ASN A 73 10.672 -7.431 -7.515 1.00 1.41 C ATOM 1107 OD1 ASN A 73 11.690 -7.407 -8.193 1.00 2.18 O ATOM 1108 ND2 ASN A 73 9.878 -8.472 -7.491 1.00 1.84 N ATOM 0 H ASN A 73 9.782 -4.487 -5.064 1.00 0.56 H new ATOM 0 HA ASN A 73 10.479 -7.210 -4.763 1.00 0.72 H new ATOM 0 HB2 ASN A 73 9.174 -6.187 -6.635 1.00 0.90 H new ATOM 0 HB3 ASN A 73 10.610 -5.326 -7.152 1.00 0.90 H new ATOM 0 HD21 ASN A 73 10.101 -9.296 -8.049 1.00 1.84 H new ATOM 0 HD22 ASN A 73 9.037 -8.459 -6.914 1.00 1.84 H new ATOM 1115 N GLN A 74 12.881 -5.093 -5.328 1.00 0.66 N ATOM 1116 CA GLN A 74 14.306 -4.914 -5.280 1.00 0.72 C ATOM 1117 C GLN A 74 14.630 -3.826 -4.267 1.00 0.66 C ATOM 1118 O GLN A 74 14.451 -2.643 -4.553 1.00 0.69 O ATOM 1119 CB GLN A 74 14.855 -4.520 -6.660 1.00 0.86 C ATOM 1120 CG GLN A 74 14.601 -5.541 -7.767 1.00 1.58 C ATOM 1121 CD GLN A 74 15.175 -6.922 -7.472 1.00 2.11 C ATOM 1122 OE1 GLN A 74 16.256 -6.984 -6.747 1.00 2.82 O flip ATOM 1123 NE2 GLN A 74 14.644 -7.934 -7.922 1.00 2.58 N flip ATOM 0 H GLN A 74 12.358 -4.228 -5.463 1.00 0.66 H new ATOM 0 HA GLN A 74 14.773 -5.854 -4.985 1.00 0.72 H new ATOM 0 HB2 GLN A 74 14.411 -3.569 -6.954 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.929 -4.357 -6.575 1.00 0.86 H new ATOM 0 HG2 GLN A 74 13.526 -5.631 -7.927 1.00 1.58 H new ATOM 0 HG3 GLN A 74 15.031 -5.170 -8.697 1.00 1.58 H new ATOM 0 HE21 GLN A 74 13.798 -7.858 -8.487 1.00 2.58 H new ATOM 0 HE22 GLN A 74 15.049 -8.850 -7.731 1.00 2.58 H new ATOM 1132 N PRO A 75 15.065 -4.204 -3.056 1.00 0.75 N ATOM 1133 CA PRO A 75 15.401 -3.244 -2.014 1.00 0.84 C ATOM 1134 C PRO A 75 16.723 -2.519 -2.290 1.00 0.81 C ATOM 1135 O PRO A 75 17.757 -3.146 -2.578 1.00 0.83 O ATOM 1136 CB PRO A 75 15.527 -4.104 -0.743 1.00 1.06 C ATOM 1137 CG PRO A 75 14.994 -5.450 -1.119 1.00 1.25 C ATOM 1138 CD PRO A 75 15.228 -5.582 -2.590 1.00 0.93 C ATOM 0 HA PRO A 75 14.649 -2.459 -1.940 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.564 -4.170 -0.415 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.959 -3.673 0.081 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.504 -6.241 -0.569 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.933 -5.531 -0.883 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.222 -5.971 -2.810 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.511 -6.257 -3.057 1.00 0.93 H new ATOM 1146 N THR A 76 16.676 -1.213 -2.187 1.00 0.86 N ATOM 1147 CA THR A 76 17.816 -0.342 -2.381 1.00 0.90 C ATOM 1148 C THR A 76 17.757 0.762 -1.311 1.00 0.84 C ATOM 1149 O THR A 76 16.721 0.949 -0.669 1.00 0.79 O ATOM 1150 CB THR A 76 17.783 0.266 -3.814 1.00 1.07 C ATOM 1151 OG1 THR A 76 16.453 0.709 -4.138 1.00 1.17 O ATOM 1152 CG2 THR A 76 18.263 -0.730 -4.864 1.00 1.22 C ATOM 0 H THR A 76 15.819 -0.709 -1.959 1.00 0.86 H new ATOM 0 HA THR A 76 18.748 -0.899 -2.281 1.00 0.90 H new ATOM 0 HB THR A 76 18.464 1.117 -3.822 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.812 0.297 -3.522 1.00 1.17 H new ATOM 0 HG21 THR A 76 18.224 -0.266 -5.850 1.00 1.22 H new ATOM 0 HG22 THR A 76 19.288 -1.027 -4.642 1.00 1.22 H new ATOM 0 HG23 THR A 76 17.620 -1.610 -4.852 1.00 1.22 H new ATOM 1160 N HIS A 77 18.857 1.486 -1.115 1.00 0.92 N ATOM 1161 CA HIS A 77 18.952 2.469 -0.024 1.00 0.94 C ATOM 1162 C HIS A 77 18.209 3.759 -0.313 1.00 0.81 C ATOM 1163 O HIS A 77 18.140 4.635 0.534 1.00 0.85 O ATOM 1164 CB HIS A 77 20.407 2.718 0.443 1.00 1.20 C ATOM 1165 CG HIS A 77 21.305 3.466 -0.495 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.428 4.787 -0.718 1.00 1.98 N flip ATOM 1167 CD2 HIS A 77 22.251 2.862 -1.279 1.00 1.62 C flip ATOM 1168 CE1 HIS A 77 22.428 4.950 -1.619 1.00 2.03 C flip ATOM 1169 NE2 HIS A 77 22.911 3.775 -1.943 1.00 1.72 N flip ATOM 0 H HIS A 77 19.695 1.415 -1.692 1.00 0.92 H new ATOM 0 HA HIS A 77 18.437 2.009 0.819 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.371 3.264 1.385 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.866 1.752 0.652 1.00 1.20 H new ATOM 0 HD2 HIS A 77 22.425 1.798 -1.340 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.772 5.897 -2.008 1.00 2.03 H new ATOM 0 HE2 HIS A 77 23.671 3.603 -2.601 1.00 1.72 H new ATOM 1178 N VAL A 78 17.688 3.880 -1.514 1.00 0.83 N ATOM 1179 CA VAL A 78 16.813 4.997 -1.855 1.00 0.92 C ATOM 1180 C VAL A 78 15.391 4.710 -1.365 1.00 0.90 C ATOM 1181 O VAL A 78 14.549 5.591 -1.325 1.00 1.08 O ATOM 1182 CB VAL A 78 16.769 5.302 -3.388 1.00 1.15 C ATOM 1183 CG1 VAL A 78 18.083 5.866 -3.895 1.00 1.33 C ATOM 1184 CG2 VAL A 78 16.385 4.066 -4.184 1.00 1.14 C ATOM 0 H VAL A 78 17.851 3.222 -2.276 1.00 0.83 H new ATOM 0 HA VAL A 78 17.227 5.876 -1.360 1.00 0.92 H new ATOM 0 HB VAL A 78 16.002 6.063 -3.534 1.00 1.15 H new ATOM 0 HG11 VAL A 78 18.006 6.063 -4.964 1.00 1.33 H new ATOM 0 HG12 VAL A 78 18.307 6.795 -3.370 1.00 1.33 H new ATOM 0 HG13 VAL A 78 18.882 5.146 -3.715 1.00 1.33 H new ATOM 0 HG21 VAL A 78 16.363 4.310 -5.246 1.00 1.14 H new ATOM 0 HG22 VAL A 78 17.117 3.278 -4.008 1.00 1.14 H new ATOM 0 HG23 VAL A 78 15.399 3.723 -3.870 1.00 1.14 H new ATOM 1194 N ASN A 79 15.155 3.464 -0.951 1.00 0.78 N ATOM 1195 CA ASN A 79 13.828 2.997 -0.512 1.00 0.90 C ATOM 1196 C ASN A 79 13.690 3.161 0.987 1.00 0.78 C ATOM 1197 O ASN A 79 12.953 2.433 1.649 1.00 0.96 O ATOM 1198 CB ASN A 79 13.630 1.516 -0.857 1.00 1.13 C ATOM 1199 CG ASN A 79 13.784 1.184 -2.328 1.00 1.40 C ATOM 1200 OD1 ASN A 79 14.223 0.087 -2.673 1.00 2.19 O ATOM 1201 ND2 ASN A 79 13.434 2.096 -3.200 1.00 1.22 N ATOM 0 H ASN A 79 15.877 2.745 -0.909 1.00 0.78 H new ATOM 0 HA ASN A 79 13.076 3.594 -1.028 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.347 0.925 -0.288 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.636 1.211 -0.531 1.00 1.13 H new ATOM 0 HD21 ASN A 79 13.522 1.907 -4.199 1.00 1.22 H new ATOM 0 HD22 ASN A 79 13.074 2.995 -2.881 1.00 1.22 H new ATOM 1208 N ASN A 80 14.412 4.089 1.502 1.00 0.64 N ATOM 1209 CA ASN A 80 14.446 4.373 2.905 1.00 0.59 C ATOM 1210 C ASN A 80 13.938 5.772 3.117 1.00 0.56 C ATOM 1211 O ASN A 80 14.545 6.734 2.638 1.00 0.88 O ATOM 1212 CB ASN A 80 15.887 4.200 3.393 1.00 0.72 C ATOM 1213 CG ASN A 80 16.171 4.686 4.804 1.00 1.05 C ATOM 1214 OD1 ASN A 80 15.302 4.767 5.659 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.421 4.948 5.061 1.00 1.43 N ATOM 0 H ASN A 80 15.017 4.695 0.948 1.00 0.64 H new ATOM 0 HA ASN A 80 13.811 3.695 3.475 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.146 3.143 3.334 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.549 4.729 2.707 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.700 5.231 6.000 1.00 1.43 H new ATOM 0 HD22 ASN A 80 18.121 4.870 4.323 1.00 1.43 H new ATOM 1222 N GLY A 81 12.814 5.889 3.786 1.00 0.46 N ATOM 1223 CA GLY A 81 12.220 7.174 3.989 1.00 0.49 C ATOM 1224 C GLY A 81 10.785 7.078 4.442 1.00 0.43 C ATOM 1225 O GLY A 81 10.345 6.039 4.952 1.00 0.40 O ATOM 0 H GLY A 81 12.300 5.108 4.194 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.797 7.725 4.732 1.00 0.49 H new ATOM 0 HA3 GLY A 81 12.268 7.744 3.061 1.00 0.49 H new ATOM 1229 N ASN A 82 10.061 8.148 4.244 1.00 0.45 N ATOM 1230 CA ASN A 82 8.683 8.255 4.688 1.00 0.44 C ATOM 1231 C ASN A 82 7.721 7.736 3.648 1.00 0.37 C ATOM 1232 O ASN A 82 7.647 8.268 2.545 1.00 0.46 O ATOM 1233 CB ASN A 82 8.318 9.710 5.000 1.00 0.56 C ATOM 1234 CG ASN A 82 9.147 10.322 6.103 1.00 1.27 C ATOM 1235 OD1 ASN A 82 10.195 10.924 5.847 1.00 2.23 O ATOM 1236 ND2 ASN A 82 8.692 10.193 7.324 1.00 1.65 N ATOM 0 H ASN A 82 10.408 8.980 3.767 1.00 0.45 H new ATOM 0 HA ASN A 82 8.599 7.649 5.590 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.436 10.307 4.095 1.00 0.56 H new ATOM 0 HB3 ASN A 82 7.265 9.759 5.279 1.00 0.56 H new ATOM 0 HD21 ASN A 82 9.208 10.597 8.106 1.00 1.65 H new ATOM 0 HD22 ASN A 82 7.822 9.688 7.493 1.00 1.65 H new ATOM 1243 N TYR A 83 6.995 6.715 3.999 1.00 0.29 N ATOM 1244 CA TYR A 83 5.971 6.145 3.157 1.00 0.27 C ATOM 1245 C TYR A 83 4.600 6.527 3.728 1.00 0.28 C ATOM 1246 O TYR A 83 4.410 6.535 4.947 1.00 0.47 O ATOM 1247 CB TYR A 83 6.124 4.605 3.100 1.00 0.34 C ATOM 1248 CG TYR A 83 7.332 4.108 2.329 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.193 3.604 1.044 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.606 4.143 2.881 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.284 3.154 0.332 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.701 3.693 2.174 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.532 3.200 0.902 1.00 0.60 C ATOM 1254 OH TYR A 83 10.621 2.764 0.194 1.00 0.69 O ATOM 0 H TYR A 83 7.096 6.242 4.897 1.00 0.29 H new ATOM 0 HA TYR A 83 6.066 6.532 2.142 1.00 0.27 H new ATOM 0 HB2 TYR A 83 6.180 4.223 4.119 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.226 4.182 2.650 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.212 3.564 0.593 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.741 4.529 3.881 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.158 2.767 -0.669 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.685 3.728 2.617 1.00 0.55 H new ATOM 0 HH TYR A 83 11.307 2.441 0.815 1.00 0.69 H new ATOM 1264 N THR A 84 3.687 6.894 2.883 1.00 0.22 N ATOM 1265 CA THR A 84 2.348 7.245 3.306 1.00 0.23 C ATOM 1266 C THR A 84 1.343 6.630 2.325 1.00 0.22 C ATOM 1267 O THR A 84 1.551 6.704 1.112 1.00 0.26 O ATOM 1268 CB THR A 84 2.175 8.793 3.317 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.266 9.407 4.038 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.854 9.203 3.969 1.00 0.33 C ATOM 0 H THR A 84 3.840 6.962 1.877 1.00 0.22 H new ATOM 0 HA THR A 84 2.176 6.864 4.313 1.00 0.23 H new ATOM 0 HB THR A 84 2.172 9.132 2.281 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.151 10.380 4.039 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.766 10.289 3.960 1.00 0.33 H new ATOM 0 HG22 THR A 84 0.023 8.767 3.414 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.830 8.846 4.998 1.00 0.33 H new ATOM 1278 N LEU A 85 0.296 6.005 2.833 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.722 5.429 1.973 1.00 0.19 C ATOM 1280 C LEU A 85 -1.966 6.280 2.016 1.00 0.18 C ATOM 1281 O LEU A 85 -2.539 6.520 3.095 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.057 3.967 2.350 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.114 3.265 1.475 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.678 3.254 0.043 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.348 1.844 1.940 1.00 0.22 C ATOM 0 H LEU A 85 0.129 5.884 3.832 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.323 5.410 0.959 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.137 3.383 2.311 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.402 3.950 3.384 1.00 0.20 H new ATOM 0 HG LEU A 85 -3.047 3.822 1.568 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.434 2.755 -0.564 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.550 4.279 -0.306 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.732 2.720 -0.045 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -3.098 1.372 1.305 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.416 1.283 1.878 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.699 1.852 2.972 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.342 6.763 0.869 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.515 7.563 0.693 1.00 0.22 C ATOM 1299 C LEU A 86 -4.554 6.732 -0.019 1.00 0.22 C ATOM 1300 O LEU A 86 -4.237 6.036 -0.992 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.229 8.827 -0.170 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.259 9.907 0.368 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.679 10.405 1.728 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.807 9.446 0.368 1.00 0.32 C ATOM 0 H LEU A 86 -1.824 6.606 0.004 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.858 7.887 1.676 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.841 8.487 -1.130 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.185 9.313 -0.366 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.319 10.746 -0.326 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.974 11.162 2.072 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.676 10.841 1.664 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.691 9.573 2.432 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.172 10.243 0.755 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.706 8.563 0.999 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.503 9.202 -0.650 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.752 6.760 0.471 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.851 6.101 -0.178 1.00 0.23 C ATOM 1318 C ALA A 87 -7.988 7.080 -0.275 1.00 0.29 C ATOM 1319 O ALA A 87 -8.435 7.601 0.740 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.273 4.869 0.610 1.00 0.24 C ATOM 0 H ALA A 87 -6.001 7.241 1.335 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.556 5.770 -1.174 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.107 4.382 0.104 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.435 4.176 0.678 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.580 5.166 1.613 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.434 7.354 -1.471 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.512 8.304 -1.677 1.00 0.45 C ATOM 1328 C ALA A 88 -10.641 7.664 -2.453 1.00 0.37 C ATOM 1329 O ALA A 88 -10.401 6.982 -3.460 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.000 9.538 -2.406 1.00 0.61 C ATOM 0 H ALA A 88 -8.070 6.934 -2.327 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.893 8.610 -0.703 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.820 10.240 -2.553 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.218 10.012 -1.813 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.595 9.246 -3.375 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.847 7.847 -1.973 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.036 7.332 -2.618 1.00 0.58 C ATOM 1338 C ASN A 89 -14.207 8.298 -2.342 1.00 0.57 C ATOM 1339 O ASN A 89 -13.999 9.266 -1.593 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.356 5.853 -2.160 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.805 5.651 -0.699 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.400 6.524 -0.057 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.584 4.459 -0.197 1.00 1.18 N ATOM 0 H ASN A 89 -12.035 8.363 -1.114 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.871 7.277 -3.694 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.136 5.459 -2.811 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.465 5.247 -2.327 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -13.906 4.234 0.745 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.091 3.757 -0.748 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.417 8.110 -2.949 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.602 8.976 -2.714 1.00 0.68 C ATOM 1352 C PRO A 90 -16.860 9.406 -1.244 1.00 0.56 C ATOM 1353 O PRO A 90 -17.344 10.525 -0.990 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.739 8.104 -3.223 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.148 7.403 -4.387 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.725 7.099 -4.002 1.00 0.74 C ATOM 0 HA PRO A 90 -16.474 9.938 -3.210 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.077 7.401 -2.461 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.604 8.701 -3.512 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.696 6.488 -4.612 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.187 8.026 -5.280 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.622 6.082 -3.623 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.052 7.191 -4.854 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.519 8.564 -0.286 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.798 8.887 1.102 1.00 0.50 C ATOM 1366 C CYS A 91 -15.732 9.819 1.694 1.00 0.46 C ATOM 1367 O CYS A 91 -16.041 10.691 2.517 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.962 7.629 1.963 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.464 7.986 3.687 1.00 1.10 S ATOM 0 H CYS A 91 -16.057 7.667 -0.438 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.750 9.419 1.112 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.706 6.978 1.504 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -16.021 7.080 1.973 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.498 9.677 1.261 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.461 10.515 1.791 1.00 0.58 C ATOM 1376 C GLY A 92 -12.087 10.035 1.435 1.00 0.49 C ATOM 1377 O GLY A 92 -11.916 9.231 0.505 1.00 0.59 O ATOM 0 H GLY A 92 -14.198 9.002 0.558 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.594 11.530 1.417 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.555 10.560 2.876 1.00 0.58 H new ATOM 1381 N GLN A 93 -11.116 10.517 2.171 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.733 10.183 1.963 1.00 0.42 C ATOM 1383 C GLN A 93 -9.129 9.745 3.290 1.00 0.41 C ATOM 1384 O GLN A 93 -9.349 10.385 4.328 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.975 11.408 1.425 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.515 11.154 1.042 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.782 12.436 0.676 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -7.078 13.507 1.209 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.843 12.357 -0.225 1.00 1.33 N ATOM 0 H GLN A 93 -11.270 11.164 2.945 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.654 9.375 1.236 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.503 11.786 0.550 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -9.005 12.194 2.180 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -7.003 10.670 1.873 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.478 10.464 0.199 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.618 11.457 -0.650 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.333 13.195 -0.505 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.417 8.665 3.268 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.735 8.163 4.436 1.00 0.33 C ATOM 1400 C ALA A 94 -6.255 8.221 4.190 1.00 0.31 C ATOM 1401 O ALA A 94 -5.814 8.184 3.027 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.146 6.740 4.724 1.00 0.37 C ATOM 0 H ALA A 94 -8.286 8.094 2.433 1.00 0.30 H new ATOM 0 HA ALA A 94 -8.000 8.776 5.298 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.620 6.381 5.609 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.221 6.700 4.900 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.894 6.109 3.872 1.00 0.37 H new ATOM 1408 N SER A 95 -5.499 8.310 5.248 1.00 0.36 N ATOM 1409 CA SER A 95 -4.078 8.404 5.157 1.00 0.37 C ATOM 1410 C SER A 95 -3.404 7.770 6.367 1.00 0.38 C ATOM 1411 O SER A 95 -3.694 8.123 7.516 1.00 0.57 O ATOM 1412 CB SER A 95 -3.680 9.874 5.008 1.00 0.43 C ATOM 1413 OG SER A 95 -4.343 10.683 5.974 1.00 0.50 O ATOM 0 H SER A 95 -5.859 8.319 6.202 1.00 0.36 H new ATOM 0 HA SER A 95 -3.740 7.852 4.280 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.601 9.976 5.123 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.928 10.222 4.005 1.00 0.43 H new ATOM 0 HG SER A 95 -4.342 10.225 6.840 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.548 6.836 6.117 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.784 6.202 7.162 1.00 0.27 C ATOM 1421 C ALA A 96 -0.332 6.312 6.782 1.00 0.23 C ATOM 1422 O ALA A 96 -0.010 6.350 5.587 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.201 4.751 7.338 1.00 0.30 C ATOM 0 H ALA A 96 -2.351 6.483 5.181 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.962 6.693 8.119 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.609 4.296 8.132 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.258 4.705 7.601 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -2.035 4.209 6.407 1.00 0.30 H new ATOM 1429 N SER A 97 0.533 6.380 7.742 1.00 0.26 N ATOM 1430 CA SER A 97 1.920 6.569 7.463 1.00 0.28 C ATOM 1431 C SER A 97 2.786 5.402 7.959 1.00 0.25 C ATOM 1432 O SER A 97 2.449 4.715 8.940 1.00 0.38 O ATOM 1433 CB SER A 97 2.370 7.926 8.025 1.00 0.41 C ATOM 1434 OG SER A 97 1.965 8.083 9.386 1.00 1.26 O ATOM 0 H SER A 97 0.301 6.307 8.733 1.00 0.26 H new ATOM 0 HA SER A 97 2.060 6.580 6.382 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.454 8.010 7.954 1.00 0.41 H new ATOM 0 HB3 SER A 97 1.948 8.730 7.422 1.00 0.41 H new ATOM 0 HG SER A 97 2.266 8.954 9.718 1.00 1.26 H new ATOM 1440 N ILE A 98 3.850 5.158 7.231 1.00 0.25 N ATOM 1441 CA ILE A 98 4.837 4.152 7.530 1.00 0.28 C ATOM 1442 C ILE A 98 6.224 4.704 7.209 1.00 0.28 C ATOM 1443 O ILE A 98 6.510 5.059 6.096 1.00 0.30 O ATOM 1444 CB ILE A 98 4.551 2.773 6.772 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.804 1.884 6.675 1.00 0.72 C ATOM 1446 CG2 ILE A 98 3.981 2.982 5.380 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.455 1.563 7.971 1.00 0.37 C ATOM 0 H ILE A 98 4.059 5.678 6.379 1.00 0.25 H new ATOM 0 HA ILE A 98 4.784 3.916 8.593 1.00 0.28 H new ATOM 0 HB ILE A 98 3.806 2.263 7.382 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.530 0.950 6.183 1.00 0.72 H new ATOM 0 HG13 ILE A 98 6.533 2.380 6.034 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.805 2.014 4.910 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.040 3.527 5.450 1.00 0.39 H new ATOM 0 HG23 ILE A 98 4.688 3.554 4.779 1.00 0.39 H new ATOM 0 HD11 ILE A 98 7.327 0.933 7.794 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.767 2.486 8.460 1.00 0.37 H new ATOM 0 HD13 ILE A 98 5.749 1.034 8.612 1.00 0.37 H new ATOM 1459 N MET A 99 7.055 4.789 8.184 1.00 0.34 N ATOM 1460 CA MET A 99 8.385 5.285 7.961 1.00 0.41 C ATOM 1461 C MET A 99 9.286 4.080 7.918 1.00 0.40 C ATOM 1462 O MET A 99 9.620 3.501 8.954 1.00 0.51 O ATOM 1463 CB MET A 99 8.803 6.274 9.067 1.00 0.59 C ATOM 1464 CG MET A 99 9.935 7.229 8.682 1.00 0.85 C ATOM 1465 SD MET A 99 11.511 6.429 8.304 1.00 1.25 S ATOM 1466 CE MET A 99 12.459 7.852 7.785 1.00 1.18 C ATOM 0 H MET A 99 6.848 4.524 9.147 1.00 0.34 H new ATOM 0 HA MET A 99 8.447 5.843 7.027 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.932 6.863 9.356 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.109 5.706 9.946 1.00 0.59 H new ATOM 0 HG2 MET A 99 9.622 7.809 7.814 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.089 7.934 9.499 1.00 0.85 H new ATOM 0 HE1 MET A 99 13.467 7.538 7.513 1.00 1.18 H new ATOM 0 HE2 MET A 99 11.978 8.315 6.923 1.00 1.18 H new ATOM 0 HE3 MET A 99 12.511 8.572 8.602 1.00 1.18 H new ATOM 1476 N ALA A 100 9.640 3.672 6.735 1.00 0.42 N ATOM 1477 CA ALA A 100 10.391 2.471 6.567 1.00 0.48 C ATOM 1478 C ALA A 100 11.847 2.774 6.322 1.00 0.48 C ATOM 1479 O ALA A 100 12.227 3.354 5.294 1.00 0.57 O ATOM 1480 CB ALA A 100 9.802 1.624 5.454 1.00 0.58 C ATOM 0 H ALA A 100 9.417 4.160 5.868 1.00 0.42 H new ATOM 0 HA ALA A 100 10.330 1.895 7.491 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.389 0.712 5.341 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.772 1.365 5.700 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.821 2.186 4.520 1.00 0.58 H new ATOM 1486 N ALA A 101 12.644 2.390 7.269 1.00 0.56 N ATOM 1487 CA ALA A 101 14.052 2.571 7.206 1.00 0.65 C ATOM 1488 C ALA A 101 14.695 1.241 6.910 1.00 0.66 C ATOM 1489 O ALA A 101 14.720 0.356 7.769 1.00 0.77 O ATOM 1490 CB ALA A 101 14.567 3.136 8.524 1.00 0.84 C ATOM 0 H ALA A 101 12.323 1.933 8.123 1.00 0.56 H new ATOM 0 HA ALA A 101 14.302 3.279 6.416 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.647 3.271 8.465 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.091 4.097 8.718 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.331 2.445 9.333 1.00 0.84 H new ATOM 1496 N PHE A 102 15.143 1.058 5.695 1.00 0.75 N ATOM 1497 CA PHE A 102 15.780 -0.189 5.332 1.00 0.87 C ATOM 1498 C PHE A 102 17.287 -0.024 5.263 1.00 1.20 C ATOM 1499 O PHE A 102 17.982 -0.177 6.264 1.00 2.05 O ATOM 1500 CB PHE A 102 15.229 -0.763 4.013 1.00 0.97 C ATOM 1501 CG PHE A 102 13.745 -0.999 4.009 1.00 1.69 C ATOM 1502 CD1 PHE A 102 13.162 -1.852 4.926 1.00 2.20 C ATOM 1503 CD2 PHE A 102 12.938 -0.373 3.078 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.802 -2.074 4.916 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.579 -0.591 3.061 1.00 3.51 C ATOM 1506 CZ PHE A 102 11.008 -1.442 3.981 1.00 3.86 C ATOM 0 H PHE A 102 15.082 1.746 4.945 1.00 0.75 H new ATOM 0 HA PHE A 102 15.545 -0.909 6.116 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.478 -0.079 3.202 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.735 -1.705 3.802 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.779 -2.350 5.659 1.00 2.20 H new ATOM 0 HD2 PHE A 102 13.379 0.296 2.354 1.00 2.45 H new ATOM 0 HE1 PHE A 102 11.358 -2.742 5.639 1.00 3.25 H new ATOM 0 HE2 PHE A 102 10.961 -0.095 2.327 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.942 -1.614 3.971 1.00 3.86 H new ATOM 1516 N MET A 103 17.776 0.378 4.112 1.00 1.13 N ATOM 1517 CA MET A 103 19.199 0.531 3.906 1.00 1.42 C ATOM 1518 C MET A 103 19.539 1.998 4.004 1.00 1.77 C ATOM 1519 O MET A 103 18.799 2.850 3.499 1.00 2.31 O ATOM 1520 CB MET A 103 19.607 -0.011 2.530 1.00 1.94 C ATOM 1521 CG MET A 103 19.326 -1.485 2.312 1.00 2.66 C ATOM 1522 SD MET A 103 19.749 -2.024 0.640 1.00 3.68 S ATOM 1523 CE MET A 103 19.225 -3.736 0.707 1.00 4.72 C ATOM 0 H MET A 103 17.205 0.607 3.298 1.00 1.13 H new ATOM 0 HA MET A 103 19.741 -0.033 4.665 1.00 1.42 H new ATOM 0 HB2 MET A 103 19.085 0.560 1.762 1.00 1.94 H new ATOM 0 HB3 MET A 103 20.673 0.165 2.389 1.00 1.94 H new ATOM 0 HG2 MET A 103 19.893 -2.071 3.035 1.00 2.66 H new ATOM 0 HG3 MET A 103 18.271 -1.683 2.499 1.00 2.66 H new ATOM 0 HE1 MET A 103 19.166 -4.138 -0.304 1.00 4.72 H new ATOM 0 HE2 MET A 103 19.945 -4.314 1.287 1.00 4.72 H new ATOM 0 HE3 MET A 103 18.245 -3.798 1.180 1.00 4.72 H new ATOM 1533 N ASP A 104 20.637 2.285 4.639 1.00 2.30 N ATOM 1534 CA ASP A 104 21.052 3.652 4.903 1.00 3.13 C ATOM 1535 C ASP A 104 21.629 4.286 3.656 1.00 2.91 C ATOM 1536 O ASP A 104 22.218 3.603 2.812 1.00 2.44 O ATOM 1537 CB ASP A 104 22.077 3.708 6.048 1.00 4.12 C ATOM 1538 CG ASP A 104 23.441 3.159 5.680 1.00 4.81 C ATOM 1539 OD1 ASP A 104 23.559 1.941 5.411 1.00 5.16 O ATOM 1540 OD2 ASP A 104 24.426 3.923 5.713 1.00 5.33 O ATOM 0 H ASP A 104 21.282 1.580 4.995 1.00 2.30 H new ATOM 0 HA ASP A 104 20.169 4.215 5.206 1.00 3.13 H new ATOM 0 HB2 ASP A 104 22.188 4.743 6.372 1.00 4.12 H new ATOM 0 HB3 ASP A 104 21.688 3.148 6.898 1.00 4.12 H new ATOM 1545 N ASN A 105 21.450 5.572 3.539 1.00 3.53 N ATOM 1546 CA ASN A 105 21.907 6.328 2.386 1.00 3.62 C ATOM 1547 C ASN A 105 23.242 6.963 2.706 1.00 4.15 C ATOM 1548 O ASN A 105 23.293 7.910 3.482 1.00 4.99 O ATOM 1549 CB ASN A 105 20.870 7.424 2.028 1.00 4.36 C ATOM 1550 CG ASN A 105 21.236 8.261 0.792 1.00 4.74 C ATOM 1551 OD1 ASN A 105 21.883 9.389 0.992 1.00 4.89 O flip ATOM 1552 ND2 ASN A 105 20.893 7.903 -0.332 1.00 5.34 N flip ATOM 0 H ASN A 105 20.979 6.139 4.244 1.00 3.53 H new ATOM 0 HA ASN A 105 22.018 5.660 1.532 1.00 3.62 H new ATOM 0 HB2 ASN A 105 19.903 6.951 1.859 1.00 4.36 H new ATOM 0 HB3 ASN A 105 20.754 8.091 2.882 1.00 4.36 H new ATOM 0 HD21 ASN A 105 20.392 7.023 -0.456 1.00 5.34 H new ATOM 0 HD22 ASN A 105 21.109 8.486 -1.141 1.00 5.34 H new ATOM 1559 N PRO A 106 24.354 6.427 2.181 1.00 3.83 N ATOM 1560 CA PRO A 106 25.672 7.008 2.419 1.00 4.48 C ATOM 1561 C PRO A 106 25.794 8.377 1.799 1.00 5.07 C ATOM 1562 O PRO A 106 25.749 8.500 0.552 1.00 4.97 O ATOM 1563 CB PRO A 106 26.608 6.063 1.678 1.00 4.12 C ATOM 1564 CG PRO A 106 25.862 4.789 1.583 1.00 3.35 C ATOM 1565 CD PRO A 106 24.443 5.202 1.371 1.00 3.04 C ATOM 0 HA PRO A 106 25.880 7.119 3.483 1.00 4.48 H new ATOM 0 HB2 PRO A 106 26.859 6.449 0.690 1.00 4.12 H new ATOM 0 HB3 PRO A 106 27.546 5.933 2.217 1.00 4.12 H new ATOM 0 HG2 PRO A 106 26.225 4.177 0.757 1.00 3.35 H new ATOM 0 HG3 PRO A 106 25.971 4.196 2.491 1.00 3.35 H new ATOM 0 HD2 PRO A 106 24.227 5.392 0.320 1.00 3.04 H new ATOM 0 HD3 PRO A 106 23.742 4.439 1.708 1.00 3.04 H new ATOM 1573 N PHE A 107 25.966 9.373 2.661 1.00 5.92 N ATOM 1574 CA PHE A 107 26.158 10.764 2.297 1.00 6.71 C ATOM 1575 C PHE A 107 25.973 11.602 3.546 1.00 7.07 C ATOM 1576 O PHE A 107 26.982 12.012 4.150 1.00 7.41 O ATOM 1577 CB PHE A 107 25.188 11.223 1.208 1.00 7.09 C ATOM 1578 CG PHE A 107 25.550 12.560 0.609 1.00 7.78 C ATOM 1579 CD1 PHE A 107 24.794 13.686 0.863 1.00 8.28 C ATOM 1580 CD2 PHE A 107 26.671 12.682 -0.196 1.00 8.18 C ATOM 1581 CE1 PHE A 107 25.144 14.907 0.325 1.00 9.14 C ATOM 1582 CE2 PHE A 107 27.024 13.899 -0.738 1.00 9.05 C ATOM 1583 CZ PHE A 107 26.259 15.014 -0.478 1.00 9.52 C ATOM 1584 OXT PHE A 107 24.811 11.789 3.988 1.00 7.30 O ATOM 0 H PHE A 107 25.975 9.223 3.670 1.00 5.92 H new ATOM 0 HA PHE A 107 27.161 10.883 1.888 1.00 6.71 H new ATOM 0 HB2 PHE A 107 25.161 10.474 0.417 1.00 7.09 H new ATOM 0 HB3 PHE A 107 24.183 11.281 1.627 1.00 7.09 H new ATOM 0 HD1 PHE A 107 23.918 13.610 1.490 1.00 8.28 H new ATOM 0 HD2 PHE A 107 27.276 11.812 -0.402 1.00 8.18 H new ATOM 0 HE1 PHE A 107 24.544 15.780 0.533 1.00 9.14 H new ATOM 0 HE2 PHE A 107 27.899 13.978 -1.366 1.00 9.05 H new ATOM 0 HZ PHE A 107 26.532 15.969 -0.902 1.00 9.52 H new TER 1594 PHE A 107