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= 0.234 F(o=-0.097,f=0.49) USER MOD Set 1.2: A 105 ASN :FLIP amide:sc= 0.255 X(o=0,f=0.49) USER MOD Set 2.1: A 76 THR OG1 : rot -32:sc= 0.184 USER MOD Set 2.2: A 79 ASN : amide:sc= -0.826! C(o=-0.64!,f=-7.2!) USER MOD Set 3.1: A 49 THR OG1 : rot 180:sc= 0.375 USER MOD Set 3.2: A 50 SER OG : rot 180:sc= 0.00742 USER MOD Set 4.1: A 20 MET CE :methyl -146:sc= -0.963 (180deg=-2.86) USER MOD Set 4.2: A 22 HIS : no HD1:sc= -0.379 X(o=-1.3,f=-1.1) USER MOD Set 5.1: A 15 HIS : no HE2:sc= 1.09 K(o=2.4,f=-5.1!) USER MOD Set 5.2: A 28 SER OG : rot 95:sc= 1.33 USER MOD Single : A 1 ASP N :NH3+ 147:sc= 0.0488 (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 :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00644 USER MOD Single : A 21 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.013) USER MOD Single : A 32 GLN : amide:sc= -0.295! X(o=-0.29!,f=-0.27) USER MOD Single : A 36 SER OG : rot 180:sc= 0.0624 USER MOD Single : A 42 ASN : amide:sc= -0.218 X(o=-0.22,f=-0.59) USER MOD Single : A 44 SER OG : rot 24:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 54 THR OG1 : rot 150:sc= 0.192 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.371 K(o=0.37,f=-4!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.97 K(o=-0.97,f=-3.7!) USER MOD Single : A 82 ASN : amide:sc= -1.28 K(o=-1.3,f=-5.9!) USER MOD Single : A 83 TYR OH : rot 166:sc= -0.394 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.9!) USER MOD Single : A 93 GLN : amide:sc= -0.237 X(o=-0.24,f=-0.00025) USER MOD Single : A 95 SER OG : rot 180:sc= 0 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 173:sc= 0 (180deg=-0.0627) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -25.172 -0.165 -6.605 1.00 6.98 N ATOM 2 CA ASP A 1 -25.250 -0.071 -5.146 1.00 6.54 C ATOM 3 C ASP A 1 -26.600 -0.538 -4.704 1.00 5.59 C ATOM 4 O ASP A 1 -27.607 -0.276 -5.377 1.00 5.69 O ATOM 5 CB ASP A 1 -24.953 1.358 -4.609 1.00 7.27 C ATOM 6 CG ASP A 1 -26.014 2.398 -4.909 1.00 7.61 C ATOM 7 OD1 ASP A 1 -26.775 2.783 -3.993 1.00 7.83 O ATOM 8 OD2 ASP A 1 -26.075 2.894 -6.051 1.00 7.93 O ATOM 0 H1 ASP A 1 -24.570 0.601 -6.971 1.00 6.98 H new ATOM 0 H2 ASP A 1 -24.764 -1.084 -6.872 1.00 6.98 H new ATOM 0 H3 ASP A 1 -26.126 -0.079 -7.010 1.00 6.98 H new ATOM 0 HA ASP A 1 -24.473 -0.711 -4.727 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -24.819 1.301 -3.529 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -24.007 1.697 -5.030 1.00 7.27 H new ATOM 15 N ASP A 2 -26.625 -1.254 -3.609 1.00 5.04 N ATOM 16 CA ASP A 2 -27.844 -1.848 -3.072 1.00 4.46 C ATOM 17 C ASP A 2 -27.616 -2.314 -1.645 1.00 3.67 C ATOM 18 O ASP A 2 -28.225 -1.804 -0.716 1.00 3.69 O ATOM 19 CB ASP A 2 -28.386 -2.997 -3.977 1.00 5.12 C ATOM 20 CG ASP A 2 -27.392 -4.105 -4.268 1.00 5.72 C ATOM 21 OD1 ASP A 2 -27.343 -5.085 -3.515 1.00 6.17 O ATOM 22 OD2 ASP A 2 -26.674 -4.019 -5.270 1.00 6.07 O ATOM 0 H ASP A 2 -25.794 -1.449 -3.051 1.00 5.04 H new ATOM 0 HA ASP A 2 -28.616 -1.079 -3.062 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -29.264 -3.433 -3.499 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -28.718 -2.569 -4.923 1.00 5.12 H new ATOM 27 N ASP A 3 -26.698 -3.234 -1.465 1.00 3.50 N ATOM 28 CA ASP A 3 -26.314 -3.731 -0.141 1.00 3.44 C ATOM 29 C ASP A 3 -25.208 -2.812 0.388 1.00 2.86 C ATOM 30 O ASP A 3 -24.126 -3.233 0.793 1.00 3.35 O ATOM 31 CB ASP A 3 -25.846 -5.205 -0.265 1.00 4.23 C ATOM 32 CG ASP A 3 -25.504 -5.887 1.053 1.00 4.91 C ATOM 33 OD1 ASP A 3 -24.320 -6.218 1.283 1.00 5.43 O ATOM 34 OD2 ASP A 3 -26.405 -6.041 1.917 1.00 5.26 O ATOM 0 H ASP A 3 -26.186 -3.670 -2.232 1.00 3.50 H new ATOM 0 HA ASP A 3 -27.149 -3.719 0.559 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -26.630 -5.778 -0.760 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -24.969 -5.238 -0.912 1.00 4.23 H new ATOM 39 N ASP A 4 -25.512 -1.535 0.345 1.00 2.36 N ATOM 40 CA ASP A 4 -24.582 -0.462 0.665 1.00 2.24 C ATOM 41 C ASP A 4 -25.222 0.445 1.682 1.00 1.92 C ATOM 42 O ASP A 4 -25.073 1.671 1.628 1.00 2.04 O ATOM 43 CB ASP A 4 -24.243 0.367 -0.604 1.00 2.71 C ATOM 44 CG ASP A 4 -23.535 -0.405 -1.705 1.00 3.25 C ATOM 45 OD1 ASP A 4 -24.197 -1.143 -2.454 1.00 3.54 O ATOM 46 OD2 ASP A 4 -22.294 -0.263 -1.861 1.00 3.87 O ATOM 0 H ASP A 4 -26.438 -1.199 0.080 1.00 2.36 H new ATOM 0 HA ASP A 4 -23.662 -0.896 1.058 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -25.167 0.780 -1.007 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -23.617 1.211 -0.312 1.00 2.71 H new ATOM 51 N ASP A 5 -25.952 -0.164 2.598 1.00 1.78 N ATOM 52 CA ASP A 5 -26.701 0.557 3.637 1.00 1.68 C ATOM 53 C ASP A 5 -25.740 1.316 4.492 1.00 1.53 C ATOM 54 O ASP A 5 -25.888 2.522 4.701 1.00 1.50 O ATOM 55 CB ASP A 5 -27.473 -0.424 4.516 1.00 1.90 C ATOM 56 CG ASP A 5 -28.262 -1.404 3.711 1.00 2.14 C ATOM 57 OD1 ASP A 5 -27.754 -2.501 3.426 1.00 2.55 O ATOM 58 OD2 ASP A 5 -29.429 -1.097 3.375 1.00 2.43 O ATOM 0 H ASP A 5 -26.049 -1.178 2.651 1.00 1.78 H new ATOM 0 HA ASP A 5 -27.405 1.237 3.157 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -26.774 -0.962 5.157 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -28.145 0.130 5.171 1.00 1.90 H new ATOM 63 N VAL A 6 -24.737 0.613 4.952 1.00 1.54 N ATOM 64 CA VAL A 6 -23.663 1.195 5.688 1.00 1.49 C ATOM 65 C VAL A 6 -22.482 1.364 4.765 1.00 1.25 C ATOM 66 O VAL A 6 -21.790 0.398 4.410 1.00 1.34 O ATOM 67 CB VAL A 6 -23.271 0.386 6.956 1.00 1.77 C ATOM 68 CG1 VAL A 6 -24.213 0.680 8.092 1.00 2.08 C ATOM 69 CG2 VAL A 6 -23.266 -1.106 6.683 1.00 1.94 C ATOM 0 H VAL A 6 -24.650 -0.395 4.820 1.00 1.54 H new ATOM 0 HA VAL A 6 -23.998 2.164 6.058 1.00 1.49 H new ATOM 0 HB VAL A 6 -22.263 0.695 7.233 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -23.918 0.102 8.968 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -24.176 1.743 8.329 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -25.228 0.408 7.803 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -22.988 -1.641 7.591 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -24.260 -1.421 6.366 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -22.547 -1.329 5.895 1.00 1.94 H new ATOM 79 N SER A 7 -22.286 2.563 4.326 1.00 1.06 N ATOM 80 CA SER A 7 -21.241 2.854 3.420 1.00 0.91 C ATOM 81 C SER A 7 -19.945 2.969 4.201 1.00 0.81 C ATOM 82 O SER A 7 -19.696 3.967 4.886 1.00 0.91 O ATOM 83 CB SER A 7 -21.561 4.148 2.665 1.00 1.01 C ATOM 84 OG SER A 7 -20.667 4.363 1.586 1.00 1.58 O ATOM 0 H SER A 7 -22.853 3.368 4.591 1.00 1.06 H new ATOM 0 HA SER A 7 -21.136 2.059 2.682 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.583 4.105 2.288 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.510 4.992 3.353 1.00 1.01 H new ATOM 0 HG SER A 7 -20.903 5.196 1.127 1.00 1.58 H new ATOM 90 N PHE A 8 -19.169 1.909 4.182 1.00 0.75 N ATOM 91 CA PHE A 8 -17.890 1.923 4.828 1.00 0.70 C ATOM 92 C PHE A 8 -16.959 2.730 3.961 1.00 0.53 C ATOM 93 O PHE A 8 -16.764 2.402 2.795 1.00 0.54 O ATOM 94 CB PHE A 8 -17.332 0.501 4.990 1.00 0.85 C ATOM 95 CG PHE A 8 -18.267 -0.484 5.639 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.624 -1.671 5.008 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.813 -0.205 6.880 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.496 -2.549 5.613 1.00 0.85 C ATOM 99 CE2 PHE A 8 -19.682 -1.082 7.486 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.955 -2.341 6.819 1.00 0.96 C ATOM 0 H PHE A 8 -19.407 1.029 3.724 1.00 0.75 H new ATOM 0 HA PHE A 8 -17.986 2.355 5.824 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -17.056 0.122 4.006 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.417 0.552 5.580 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.215 -1.906 4.037 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -18.552 0.716 7.380 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.809 -3.433 5.077 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -20.147 -0.841 8.430 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.535 -3.104 7.317 1.00 0.96 H new ATOM 110 N CYS A 9 -16.408 3.763 4.501 1.00 0.49 N ATOM 111 CA CYS A 9 -15.527 4.625 3.750 1.00 0.44 C ATOM 112 C CYS A 9 -14.135 4.016 3.774 1.00 0.37 C ATOM 113 O CYS A 9 -13.951 2.949 4.345 1.00 0.40 O ATOM 114 CB CYS A 9 -15.555 6.013 4.372 1.00 0.62 C ATOM 115 SG CYS A 9 -17.247 6.690 4.507 1.00 1.32 S ATOM 0 H CYS A 9 -16.548 4.043 5.472 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.843 4.719 2.711 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.104 5.972 5.364 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -14.945 6.688 3.772 1.00 0.62 H new ATOM 120 N ALA A 10 -13.145 4.696 3.248 1.00 0.35 N ATOM 121 CA ALA A 10 -11.865 4.059 3.088 1.00 0.35 C ATOM 122 C ALA A 10 -11.029 4.321 4.274 1.00 0.29 C ATOM 123 O ALA A 10 -10.768 5.460 4.624 1.00 0.34 O ATOM 124 CB ALA A 10 -11.150 4.576 1.858 1.00 0.45 C ATOM 0 H ALA A 10 -13.198 5.664 2.932 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.032 2.988 2.973 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.185 4.078 1.761 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.754 4.372 0.974 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -10.995 5.651 1.952 1.00 0.45 H new ATOM 130 N SER A 11 -10.679 3.272 4.929 1.00 0.27 N ATOM 131 CA SER A 11 -9.859 3.344 6.078 1.00 0.27 C ATOM 132 C SER A 11 -8.550 2.608 5.789 1.00 0.23 C ATOM 133 O SER A 11 -8.563 1.478 5.285 1.00 0.25 O ATOM 134 CB SER A 11 -10.622 2.744 7.240 1.00 0.37 C ATOM 135 OG SER A 11 -11.916 3.349 7.319 1.00 1.19 O ATOM 0 H SER A 11 -10.961 2.325 4.675 1.00 0.27 H new ATOM 0 HA SER A 11 -9.606 4.372 6.338 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.719 1.666 7.108 1.00 0.37 H new ATOM 0 HB3 SER A 11 -10.076 2.904 8.170 1.00 0.37 H new ATOM 0 HG SER A 11 -12.413 2.961 8.069 1.00 1.19 H new ATOM 141 N VAL A 12 -7.444 3.251 6.081 1.00 0.23 N ATOM 142 CA VAL A 12 -6.134 2.742 5.734 1.00 0.22 C ATOM 143 C VAL A 12 -5.303 2.453 6.978 1.00 0.24 C ATOM 144 O VAL A 12 -5.052 3.347 7.785 1.00 0.29 O ATOM 145 CB VAL A 12 -5.370 3.774 4.849 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.994 3.285 4.485 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.133 4.065 3.590 1.00 0.27 C ATOM 0 H VAL A 12 -7.425 4.147 6.568 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.281 1.813 5.183 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.273 4.685 5.439 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.494 4.032 3.868 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.415 3.118 5.393 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.075 2.351 3.929 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.581 4.787 2.989 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.263 3.144 3.022 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -7.110 4.476 3.844 1.00 0.27 H new ATOM 157 N GLN A 13 -4.914 1.212 7.138 1.00 0.24 N ATOM 158 CA GLN A 13 -4.006 0.824 8.186 1.00 0.29 C ATOM 159 C GLN A 13 -2.730 0.332 7.574 1.00 0.26 C ATOM 160 O GLN A 13 -2.741 -0.624 6.778 1.00 0.32 O ATOM 161 CB GLN A 13 -4.575 -0.275 9.075 1.00 0.40 C ATOM 162 CG GLN A 13 -5.765 0.140 9.891 1.00 0.68 C ATOM 163 CD GLN A 13 -6.337 -0.982 10.727 1.00 1.43 C ATOM 164 OE1 GLN A 13 -5.507 -1.890 11.173 1.00 2.18 O flip ATOM 165 NE2 GLN A 13 -7.536 -1.017 10.987 1.00 2.06 N flip ATOM 0 H GLN A 13 -5.220 0.442 6.543 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.834 1.702 8.808 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -4.857 -1.122 8.449 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -3.792 -0.623 9.748 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.479 0.963 10.546 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.540 0.519 9.224 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.158 -0.294 10.624 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -7.911 -1.769 11.566 1.00 2.06 H new ATOM 174 N LEU A 14 -1.661 0.968 7.897 1.00 0.28 N ATOM 175 CA LEU A 14 -0.374 0.542 7.441 1.00 0.25 C ATOM 176 C LEU A 14 0.303 -0.256 8.518 1.00 0.25 C ATOM 177 O LEU A 14 -0.024 -0.130 9.686 1.00 0.33 O ATOM 178 CB LEU A 14 0.468 1.717 6.924 1.00 0.24 C ATOM 179 CG LEU A 14 0.107 2.169 5.501 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.741 3.488 5.160 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.580 1.134 4.514 1.00 0.25 C ATOM 0 H LEU A 14 -1.647 1.801 8.486 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.497 -0.114 6.579 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.349 2.561 7.603 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.520 1.434 6.948 1.00 0.24 H new ATOM 0 HG LEU A 14 -0.976 2.284 5.452 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.462 3.774 4.146 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.396 4.249 5.860 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.825 3.399 5.227 1.00 0.23 H new ATOM 0 HD21 LEU A 14 0.325 1.452 3.503 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.661 1.019 4.597 1.00 0.25 H new ATOM 0 HD23 LEU A 14 0.097 0.180 4.727 1.00 0.25 H new ATOM 193 N HIS A 15 1.201 -1.104 8.121 1.00 0.21 N ATOM 194 CA HIS A 15 1.835 -2.025 9.035 1.00 0.24 C ATOM 195 C HIS A 15 3.308 -1.956 8.808 1.00 0.21 C ATOM 196 O HIS A 15 3.752 -1.718 7.676 1.00 0.22 O ATOM 197 CB HIS A 15 1.381 -3.479 8.751 1.00 0.34 C ATOM 198 CG HIS A 15 -0.086 -3.774 8.934 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.559 -4.673 9.855 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.175 -3.334 8.260 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.864 -4.774 9.743 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.266 -3.972 8.781 1.00 0.83 N ATOM 0 H HIS A 15 1.520 -1.183 7.156 1.00 0.21 H new ATOM 0 HA HIS A 15 1.566 -1.757 10.057 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.653 -3.727 7.725 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.947 -4.146 9.401 1.00 0.34 H new ATOM 0 HD1 HIS A 15 0.015 -5.185 10.525 1.00 0.92 H new ATOM 0 HD2 HIS A 15 -1.181 -2.611 7.458 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.501 -5.409 10.341 1.00 1.03 H new ATOM 211 N THR A 16 4.060 -2.145 9.871 1.00 0.26 N ATOM 212 CA THR A 16 5.492 -2.144 9.819 1.00 0.29 C ATOM 213 C THR A 16 5.969 -3.269 8.893 1.00 0.25 C ATOM 214 O THR A 16 5.488 -4.412 8.990 1.00 0.27 O ATOM 215 CB THR A 16 6.055 -2.357 11.229 1.00 0.38 C ATOM 216 OG1 THR A 16 5.394 -1.452 12.128 1.00 0.49 O ATOM 217 CG2 THR A 16 7.552 -2.072 11.256 1.00 0.47 C ATOM 0 H THR A 16 3.681 -2.305 10.804 1.00 0.26 H new ATOM 0 HA THR A 16 5.844 -1.187 9.433 1.00 0.29 H new ATOM 0 HB THR A 16 5.887 -3.392 11.528 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.743 -1.578 13.035 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.934 -2.228 12.265 1.00 0.47 H new ATOM 0 HG22 THR A 16 8.063 -2.744 10.566 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.731 -1.039 10.956 1.00 0.47 H new ATOM 225 N ALA A 17 6.883 -2.910 7.990 1.00 0.28 N ATOM 226 CA ALA A 17 7.438 -3.808 6.983 1.00 0.30 C ATOM 227 C ALA A 17 7.949 -5.090 7.606 1.00 0.35 C ATOM 228 O ALA A 17 8.601 -5.061 8.657 1.00 0.40 O ATOM 229 CB ALA A 17 8.565 -3.113 6.235 1.00 0.37 C ATOM 0 H ALA A 17 7.265 -1.965 7.940 1.00 0.28 H new ATOM 0 HA ALA A 17 6.640 -4.066 6.286 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.975 -3.789 5.485 1.00 0.37 H new ATOM 0 HB2 ALA A 17 8.180 -2.219 5.746 1.00 0.37 H new ATOM 0 HB3 ALA A 17 9.349 -2.833 6.938 1.00 0.37 H new ATOM 235 N VAL A 18 7.700 -6.190 6.946 1.00 0.38 N ATOM 236 CA VAL A 18 8.077 -7.479 7.472 1.00 0.48 C ATOM 237 C VAL A 18 9.466 -7.851 6.995 1.00 0.56 C ATOM 238 O VAL A 18 9.850 -7.585 5.845 1.00 0.52 O ATOM 239 CB VAL A 18 7.052 -8.598 7.121 1.00 0.54 C ATOM 240 CG1 VAL A 18 5.718 -8.325 7.795 1.00 0.57 C ATOM 241 CG2 VAL A 18 6.857 -8.717 5.620 1.00 0.52 C ATOM 0 H VAL A 18 7.235 -6.221 6.038 1.00 0.38 H new ATOM 0 HA VAL A 18 8.080 -7.395 8.559 1.00 0.48 H new ATOM 0 HB VAL A 18 7.453 -9.542 7.489 1.00 0.54 H new ATOM 0 HG11 VAL A 18 5.013 -9.116 7.540 1.00 0.57 H new ATOM 0 HG12 VAL A 18 5.856 -8.296 8.876 1.00 0.57 H new ATOM 0 HG13 VAL A 18 5.327 -7.366 7.454 1.00 0.57 H new ATOM 0 HG21 VAL A 18 6.136 -9.507 5.408 1.00 0.52 H new ATOM 0 HG22 VAL A 18 6.486 -7.771 5.225 1.00 0.52 H new ATOM 0 HG23 VAL A 18 7.809 -8.959 5.147 1.00 0.52 H new ATOM 251 N GLU A 19 10.199 -8.445 7.890 1.00 0.72 N ATOM 252 CA GLU A 19 11.595 -8.730 7.719 1.00 0.84 C ATOM 253 C GLU A 19 11.814 -10.001 6.934 1.00 0.84 C ATOM 254 O GLU A 19 11.641 -11.112 7.453 1.00 0.96 O ATOM 255 CB GLU A 19 12.257 -8.805 9.088 1.00 1.06 C ATOM 256 CG GLU A 19 12.087 -7.529 9.895 1.00 1.72 C ATOM 257 CD GLU A 19 12.698 -7.610 11.261 1.00 2.02 C ATOM 258 OE1 GLU A 19 13.931 -7.475 11.369 1.00 2.52 O ATOM 259 OE2 GLU A 19 11.950 -7.767 12.253 1.00 2.38 O ATOM 0 H GLU A 19 9.830 -8.755 8.789 1.00 0.72 H new ATOM 0 HA GLU A 19 12.051 -7.926 7.141 1.00 0.84 H new ATOM 0 HB2 GLU A 19 11.835 -9.641 9.645 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.320 -9.011 8.962 1.00 1.06 H new ATOM 0 HG2 GLU A 19 12.538 -6.699 9.351 1.00 1.72 H new ATOM 0 HG3 GLU A 19 11.024 -7.306 9.992 1.00 1.72 H new ATOM 266 N MET A 20 12.149 -9.825 5.679 1.00 0.79 N ATOM 267 CA MET A 20 12.452 -10.900 4.757 1.00 0.84 C ATOM 268 C MET A 20 13.543 -10.398 3.829 1.00 0.81 C ATOM 269 O MET A 20 14.153 -9.361 4.123 1.00 0.84 O ATOM 270 CB MET A 20 11.213 -11.302 3.924 1.00 0.88 C ATOM 271 CG MET A 20 10.042 -11.850 4.728 1.00 0.88 C ATOM 272 SD MET A 20 8.665 -12.400 3.698 1.00 0.88 S ATOM 273 CE MET A 20 8.198 -10.882 2.876 1.00 0.58 C ATOM 0 H MET A 20 12.221 -8.900 5.254 1.00 0.79 H new ATOM 0 HA MET A 20 12.768 -11.782 5.314 1.00 0.84 H new ATOM 0 HB2 MET A 20 10.873 -10.431 3.364 1.00 0.88 H new ATOM 0 HB3 MET A 20 11.514 -12.052 3.193 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.388 -12.685 5.337 1.00 0.88 H new ATOM 0 HG3 MET A 20 9.689 -11.080 5.414 1.00 0.88 H new ATOM 0 HE1 MET A 20 7.119 -10.870 2.720 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.485 -10.031 3.493 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.704 -10.819 1.913 1.00 0.58 H new ATOM 283 N HIS A 21 13.817 -11.098 2.745 1.00 0.92 N ATOM 284 CA HIS A 21 14.789 -10.605 1.779 1.00 1.01 C ATOM 285 C HIS A 21 14.090 -9.532 0.959 1.00 0.82 C ATOM 286 O HIS A 21 14.602 -8.432 0.780 1.00 0.95 O ATOM 287 CB HIS A 21 15.303 -11.745 0.884 1.00 1.24 C ATOM 288 CG HIS A 21 16.499 -11.399 0.033 1.00 1.65 C ATOM 289 ND1 HIS A 21 17.699 -12.065 0.131 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.669 -10.476 -0.946 1.00 2.19 C ATOM 291 CE1 HIS A 21 18.548 -11.568 -0.736 1.00 2.75 C ATOM 292 NE2 HIS A 21 17.949 -10.606 -1.403 1.00 2.66 N ATOM 0 H HIS A 21 13.391 -11.994 2.510 1.00 0.92 H new ATOM 0 HA HIS A 21 15.663 -10.193 2.284 1.00 1.01 H new ATOM 0 HB2 HIS A 21 15.560 -12.595 1.516 1.00 1.24 H new ATOM 0 HB3 HIS A 21 14.492 -12.067 0.231 1.00 1.24 H new ATOM 0 HD2 HIS A 21 15.931 -9.771 -1.298 1.00 2.19 H new ATOM 0 HE1 HIS A 21 19.568 -11.894 -0.878 1.00 2.75 H new ATOM 0 HE2 HIS A 21 18.373 -10.047 -2.143 1.00 2.66 H new ATOM 301 N HIS A 22 12.912 -9.869 0.471 1.00 0.67 N ATOM 302 CA HIS A 22 12.075 -8.897 -0.190 1.00 0.59 C ATOM 303 C HIS A 22 11.201 -8.262 0.859 1.00 0.49 C ATOM 304 O HIS A 22 10.450 -8.951 1.552 1.00 0.57 O ATOM 305 CB HIS A 22 11.236 -9.497 -1.367 1.00 0.76 C ATOM 306 CG HIS A 22 10.287 -10.638 -1.029 1.00 1.13 C ATOM 307 ND1 HIS A 22 10.679 -11.953 -0.988 1.00 1.52 N ATOM 308 CD2 HIS A 22 8.953 -10.645 -0.752 1.00 2.11 C ATOM 309 CE1 HIS A 22 9.646 -12.719 -0.703 1.00 2.06 C ATOM 310 NE2 HIS A 22 8.584 -11.957 -0.553 1.00 2.46 N ATOM 0 H HIS A 22 12.517 -10.808 0.521 1.00 0.67 H new ATOM 0 HA HIS A 22 12.708 -8.147 -0.665 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.652 -8.691 -1.811 1.00 0.76 H new ATOM 0 HB3 HIS A 22 11.929 -9.848 -2.132 1.00 0.76 H new ATOM 0 HD2 HIS A 22 8.305 -9.782 -0.698 1.00 2.11 H new ATOM 0 HE1 HIS A 22 9.667 -13.795 -0.608 1.00 2.06 H new ATOM 0 HE2 HIS A 22 7.644 -12.283 -0.327 1.00 2.46 H new ATOM 319 N TRP A 23 11.318 -6.987 1.003 1.00 0.41 N ATOM 320 CA TRP A 23 10.605 -6.291 2.034 1.00 0.36 C ATOM 321 C TRP A 23 9.196 -5.988 1.606 1.00 0.32 C ATOM 322 O TRP A 23 8.953 -5.554 0.481 1.00 0.44 O ATOM 323 CB TRP A 23 11.350 -5.030 2.460 1.00 0.43 C ATOM 324 CG TRP A 23 12.646 -5.325 3.162 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.848 -5.596 2.587 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.861 -5.375 4.577 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.795 -5.818 3.553 1.00 0.57 N ATOM 328 CE2 TRP A 23 14.214 -5.689 4.784 1.00 0.60 C ATOM 329 CE3 TRP A 23 12.037 -5.187 5.687 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.764 -5.818 6.056 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.581 -5.315 6.946 1.00 0.85 C ATOM 332 CH2 TRP A 23 13.933 -5.628 7.123 1.00 0.86 C ATOM 0 H TRP A 23 11.905 -6.394 0.416 1.00 0.41 H new ATOM 0 HA TRP A 23 10.547 -6.944 2.905 1.00 0.36 H new ATOM 0 HB2 TRP A 23 11.550 -4.418 1.581 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.711 -4.442 3.119 1.00 0.43 H new ATOM 0 HD1 TRP A 23 14.030 -5.631 1.523 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.775 -6.043 3.381 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.992 -4.946 5.561 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.808 -6.059 6.194 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.952 -5.171 7.812 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.328 -5.721 8.124 1.00 0.86 H new ATOM 343 N CYS A 24 8.281 -6.249 2.490 1.00 0.27 N ATOM 344 CA CYS A 24 6.884 -6.063 2.232 1.00 0.25 C ATOM 345 C CYS A 24 6.265 -5.194 3.286 1.00 0.23 C ATOM 346 O CYS A 24 6.429 -5.452 4.491 1.00 0.25 O ATOM 347 CB CYS A 24 6.168 -7.420 2.180 1.00 0.28 C ATOM 348 SG CYS A 24 4.334 -7.340 2.184 1.00 0.30 S ATOM 0 H CYS A 24 8.486 -6.602 3.425 1.00 0.27 H new ATOM 0 HA CYS A 24 6.775 -5.569 1.266 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.490 -7.948 1.283 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.491 -8.016 3.034 1.00 0.28 H new ATOM 353 N ILE A 25 5.616 -4.149 2.848 1.00 0.20 N ATOM 354 CA ILE A 25 4.851 -3.292 3.711 1.00 0.19 C ATOM 355 C ILE A 25 3.382 -3.672 3.536 1.00 0.18 C ATOM 356 O ILE A 25 2.779 -3.370 2.498 1.00 0.18 O ATOM 357 CB ILE A 25 5.046 -1.791 3.351 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.531 -1.401 3.462 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.182 -0.903 4.250 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.840 0.027 3.056 1.00 0.30 C ATOM 0 H ILE A 25 5.604 -3.866 1.868 1.00 0.20 H new ATOM 0 HA ILE A 25 5.182 -3.422 4.741 1.00 0.19 H new ATOM 0 HB ILE A 25 4.728 -1.639 2.320 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.857 -1.551 4.491 1.00 0.25 H new ATOM 0 HG13 ILE A 25 7.118 -2.077 2.840 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.333 0.143 3.982 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.132 -1.163 4.118 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.465 -1.055 5.292 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.908 0.213 3.166 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.550 0.181 2.017 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.284 0.715 3.693 1.00 0.30 H new ATOM 372 N PRO A 26 2.811 -4.413 4.486 1.00 0.20 N ATOM 373 CA PRO A 26 1.421 -4.829 4.414 1.00 0.21 C ATOM 374 C PRO A 26 0.476 -3.679 4.731 1.00 0.21 C ATOM 375 O PRO A 26 0.723 -2.886 5.656 1.00 0.23 O ATOM 376 CB PRO A 26 1.300 -5.919 5.498 1.00 0.25 C ATOM 377 CG PRO A 26 2.696 -6.168 5.976 1.00 0.28 C ATOM 378 CD PRO A 26 3.462 -4.914 5.697 1.00 0.24 C ATOM 0 HA PRO A 26 1.154 -5.177 3.416 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.659 -5.589 6.315 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.857 -6.828 5.092 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.707 -6.402 7.040 1.00 0.28 H new ATOM 0 HG3 PRO A 26 3.139 -7.018 5.458 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.392 -4.203 6.520 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.522 -5.112 5.537 1.00 0.24 H new ATOM 386 N PHE A 27 -0.589 -3.580 3.992 1.00 0.23 N ATOM 387 CA PHE A 27 -1.554 -2.545 4.214 1.00 0.25 C ATOM 388 C PHE A 27 -2.946 -3.107 4.212 1.00 0.25 C ATOM 389 O PHE A 27 -3.248 -4.055 3.473 1.00 0.30 O ATOM 390 CB PHE A 27 -1.409 -1.388 3.211 1.00 0.27 C ATOM 391 CG PHE A 27 -1.554 -1.738 1.756 1.00 0.28 C ATOM 392 CD1 PHE A 27 -2.798 -1.766 1.151 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.436 -2.008 0.991 1.00 0.32 C ATOM 394 CE1 PHE A 27 -2.923 -2.060 -0.180 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.557 -2.305 -0.345 1.00 0.36 C ATOM 396 CZ PHE A 27 -1.802 -2.330 -0.933 1.00 0.37 C ATOM 0 H PHE A 27 -0.813 -4.211 3.222 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.360 -2.124 5.201 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.153 -0.630 3.455 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.430 -0.932 3.356 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.681 -1.553 1.736 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.543 -1.985 1.447 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -3.900 -2.080 -0.639 1.00 0.34 H new ATOM 0 HE2 PHE A 27 0.323 -2.519 -0.933 1.00 0.36 H new ATOM 0 HZ PHE A 27 -1.899 -2.561 -1.984 1.00 0.37 H new ATOM 406 N SER A 28 -3.770 -2.554 5.041 1.00 0.25 N ATOM 407 CA SER A 28 -5.121 -2.967 5.156 1.00 0.28 C ATOM 408 C SER A 28 -6.018 -1.769 4.866 1.00 0.24 C ATOM 409 O SER A 28 -6.109 -0.830 5.675 1.00 0.27 O ATOM 410 CB SER A 28 -5.349 -3.473 6.582 1.00 0.41 C ATOM 411 OG SER A 28 -4.284 -4.350 6.971 1.00 0.88 O ATOM 0 H SER A 28 -3.514 -1.790 5.666 1.00 0.25 H new ATOM 0 HA SER A 28 -5.352 -3.765 4.450 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.406 -2.630 7.270 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.302 -3.998 6.642 1.00 0.41 H new ATOM 0 HG SER A 28 -3.607 -3.843 7.466 1.00 0.88 H new ATOM 417 N VAL A 29 -6.629 -1.775 3.718 1.00 0.23 N ATOM 418 CA VAL A 29 -7.548 -0.733 3.346 1.00 0.21 C ATOM 419 C VAL A 29 -8.936 -1.329 3.229 1.00 0.21 C ATOM 420 O VAL A 29 -9.163 -2.257 2.447 1.00 0.27 O ATOM 421 CB VAL A 29 -7.114 0.042 2.033 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.806 -0.911 0.902 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.211 1.021 1.595 1.00 0.26 C ATOM 0 H VAL A 29 -6.506 -2.501 3.012 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.544 0.027 4.127 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.207 0.598 2.271 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.512 -0.344 0.018 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -5.992 -1.573 1.196 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.692 -1.504 0.675 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.894 1.543 0.692 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.130 0.471 1.392 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.390 1.746 2.389 1.00 0.26 H new ATOM 433 N ASP A 30 -9.835 -0.867 4.041 1.00 0.27 N ATOM 434 CA ASP A 30 -11.180 -1.379 4.003 1.00 0.35 C ATOM 435 C ASP A 30 -12.125 -0.275 3.639 1.00 0.37 C ATOM 436 O ASP A 30 -11.795 0.916 3.793 1.00 0.48 O ATOM 437 CB ASP A 30 -11.605 -2.053 5.327 1.00 0.51 C ATOM 438 CG ASP A 30 -11.922 -1.103 6.460 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.986 -0.620 7.130 1.00 1.39 O ATOM 440 OD2 ASP A 30 -13.116 -0.889 6.751 1.00 1.30 O ATOM 0 H ASP A 30 -9.669 -0.140 4.737 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.214 -2.159 3.242 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.482 -2.671 5.136 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -10.807 -2.722 5.648 1.00 0.51 H new ATOM 445 N GLY A 31 -13.248 -0.662 3.123 1.00 0.37 N ATOM 446 CA GLY A 31 -14.255 0.250 2.693 1.00 0.42 C ATOM 447 C GLY A 31 -15.092 -0.428 1.661 1.00 0.46 C ATOM 448 O GLY A 31 -14.583 -1.289 0.941 1.00 0.60 O ATOM 0 H GLY A 31 -13.494 -1.642 2.987 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.871 0.561 3.537 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.800 1.151 2.281 1.00 0.42 H new ATOM 452 N GLN A 32 -16.354 -0.086 1.568 1.00 0.55 N ATOM 453 CA GLN A 32 -17.195 -0.782 0.630 1.00 0.64 C ATOM 454 C GLN A 32 -17.112 -0.141 -0.755 1.00 0.61 C ATOM 455 O GLN A 32 -16.869 -0.852 -1.730 1.00 0.68 O ATOM 456 CB GLN A 32 -18.629 -0.991 1.120 1.00 0.76 C ATOM 457 CG GLN A 32 -19.292 -2.156 0.412 1.00 0.99 C ATOM 458 CD GLN A 32 -20.666 -2.479 0.920 1.00 1.82 C ATOM 459 OE1 GLN A 32 -20.833 -3.255 1.864 1.00 2.42 O ATOM 460 NE2 GLN A 32 -21.649 -1.947 0.291 1.00 2.61 N ATOM 0 H GLN A 32 -16.809 0.647 2.112 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.800 -1.794 0.543 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -18.625 -1.171 2.195 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -19.209 -0.083 0.951 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -19.353 -1.933 -0.653 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -18.661 -3.038 0.517 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -21.473 -1.309 -0.485 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -22.607 -2.162 0.567 1.00 2.61 H new ATOM 469 N PRO A 33 -17.346 1.203 -0.907 1.00 0.59 N ATOM 470 CA PRO A 33 -17.006 1.861 -2.150 1.00 0.62 C ATOM 471 C PRO A 33 -15.492 1.748 -2.329 1.00 0.53 C ATOM 472 O PRO A 33 -14.708 2.251 -1.497 1.00 0.44 O ATOM 473 CB PRO A 33 -17.427 3.327 -1.934 1.00 0.67 C ATOM 474 CG PRO A 33 -17.600 3.469 -0.460 1.00 0.78 C ATOM 475 CD PRO A 33 -18.008 2.122 0.036 1.00 0.63 C ATOM 0 HA PRO A 33 -17.488 1.438 -3.032 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.669 4.014 -2.310 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -18.353 3.553 -2.463 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.673 3.795 0.012 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.357 4.217 -0.226 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.679 1.953 1.061 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -19.091 2.000 0.025 1.00 0.63 H new ATOM 483 N ALA A 34 -15.099 1.108 -3.397 1.00 0.62 N ATOM 484 CA ALA A 34 -13.719 0.756 -3.628 1.00 0.60 C ATOM 485 C ALA A 34 -12.846 1.983 -3.878 1.00 0.52 C ATOM 486 O ALA A 34 -13.089 2.745 -4.817 1.00 0.63 O ATOM 487 CB ALA A 34 -13.638 -0.236 -4.773 1.00 0.78 C ATOM 0 H ALA A 34 -15.732 0.812 -4.140 1.00 0.62 H new ATOM 0 HA ALA A 34 -13.325 0.288 -2.726 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -12.596 -0.504 -4.950 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -14.205 -1.132 -4.519 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -14.055 0.214 -5.674 1.00 0.78 H new ATOM 493 N PRO A 35 -11.845 2.218 -3.018 1.00 0.39 N ATOM 494 CA PRO A 35 -10.959 3.355 -3.160 1.00 0.35 C ATOM 495 C PRO A 35 -9.775 3.059 -4.078 1.00 0.41 C ATOM 496 O PRO A 35 -9.429 1.891 -4.339 1.00 0.56 O ATOM 497 CB PRO A 35 -10.464 3.565 -1.729 1.00 0.29 C ATOM 498 CG PRO A 35 -10.357 2.186 -1.178 1.00 0.31 C ATOM 499 CD PRO A 35 -11.497 1.405 -1.809 1.00 0.37 C ATOM 0 HA PRO A 35 -11.458 4.217 -3.603 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.502 4.078 -1.711 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -11.160 4.173 -1.151 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.393 1.740 -1.423 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.439 2.191 -0.091 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -11.191 0.394 -2.079 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.344 1.311 -1.130 1.00 0.37 H new ATOM 507 N SER A 36 -9.181 4.098 -4.562 1.00 0.39 N ATOM 508 CA SER A 36 -7.998 4.014 -5.350 1.00 0.44 C ATOM 509 C SER A 36 -6.798 4.259 -4.438 1.00 0.37 C ATOM 510 O SER A 36 -6.857 5.136 -3.557 1.00 0.41 O ATOM 511 CB SER A 36 -8.095 5.048 -6.453 1.00 0.57 C ATOM 512 OG SER A 36 -8.523 6.301 -5.918 1.00 1.37 O ATOM 0 H SER A 36 -9.513 5.052 -4.417 1.00 0.39 H new ATOM 0 HA SER A 36 -7.879 3.033 -5.810 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.126 5.164 -6.939 1.00 0.57 H new ATOM 0 HB3 SER A 36 -8.797 4.711 -7.216 1.00 0.57 H new ATOM 0 HG SER A 36 -8.581 6.962 -6.639 1.00 1.37 H new ATOM 518 N LEU A 37 -5.752 3.491 -4.615 1.00 0.33 N ATOM 519 CA LEU A 37 -4.594 3.560 -3.754 1.00 0.30 C ATOM 520 C LEU A 37 -3.461 4.344 -4.403 1.00 0.32 C ATOM 521 O LEU A 37 -3.165 4.177 -5.600 1.00 0.50 O ATOM 522 CB LEU A 37 -4.148 2.144 -3.381 1.00 0.32 C ATOM 523 CG LEU A 37 -5.160 1.327 -2.573 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.669 -0.085 -2.409 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.387 1.955 -1.209 1.00 0.27 C ATOM 0 H LEU A 37 -5.678 2.799 -5.361 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.867 4.095 -2.845 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.917 1.601 -4.298 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.222 2.212 -2.809 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.106 1.318 -3.114 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.395 -0.658 -1.833 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.542 -0.542 -3.390 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.713 -0.079 -1.885 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.109 1.360 -0.650 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.444 1.989 -0.663 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.771 2.968 -1.334 1.00 0.27 H new ATOM 537 N ARG A 38 -2.867 5.216 -3.632 1.00 0.23 N ATOM 538 CA ARG A 38 -1.771 6.051 -4.066 1.00 0.23 C ATOM 539 C ARG A 38 -0.694 6.103 -2.996 1.00 0.22 C ATOM 540 O ARG A 38 -0.983 6.297 -1.825 1.00 0.26 O ATOM 541 CB ARG A 38 -2.305 7.467 -4.429 1.00 0.28 C ATOM 542 CG ARG A 38 -1.265 8.590 -4.644 1.00 0.33 C ATOM 543 CD ARG A 38 -0.177 8.210 -5.632 1.00 1.28 C ATOM 544 NE ARG A 38 -0.705 7.538 -6.806 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.079 6.547 -7.444 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.197 6.261 -7.171 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.701 5.874 -8.391 1.00 3.78 N ATOM 0 H ARG A 38 -3.136 5.371 -2.661 1.00 0.23 H new ATOM 0 HA ARG A 38 -1.315 5.627 -4.961 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.898 7.379 -5.339 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.983 7.784 -3.636 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -1.774 9.486 -5.000 1.00 0.33 H new ATOM 0 HG3 ARG A 38 -0.807 8.842 -3.687 1.00 0.33 H new ATOM 0 HD2 ARG A 38 0.359 9.107 -5.941 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.546 7.560 -5.139 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.610 7.842 -7.165 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.702 6.802 -6.469 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.666 5.501 -7.664 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.662 6.110 -8.637 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.221 5.117 -8.878 1.00 3.78 H new ATOM 561 N TRP A 39 0.528 5.888 -3.406 1.00 0.22 N ATOM 562 CA TRP A 39 1.653 5.954 -2.514 1.00 0.22 C ATOM 563 C TRP A 39 2.325 7.302 -2.604 1.00 0.20 C ATOM 564 O TRP A 39 2.473 7.875 -3.693 1.00 0.26 O ATOM 565 CB TRP A 39 2.669 4.859 -2.815 1.00 0.25 C ATOM 566 CG TRP A 39 2.176 3.481 -2.536 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.689 2.581 -3.439 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.122 2.843 -1.258 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.342 1.421 -2.802 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.596 1.556 -1.458 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.473 3.240 0.041 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.409 0.661 -0.411 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.288 2.349 1.079 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.761 1.072 0.847 1.00 0.26 C ATOM 0 H TRP A 39 0.771 5.662 -4.370 1.00 0.22 H new ATOM 0 HA TRP A 39 1.274 5.806 -1.503 1.00 0.22 H new ATOM 0 HB2 TRP A 39 2.959 4.925 -3.864 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.567 5.039 -2.224 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.592 2.758 -4.500 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.957 0.590 -3.252 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.880 4.223 0.225 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 1.001 -0.324 -0.584 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.553 2.641 2.084 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.629 0.396 1.679 1.00 0.26 H new ATOM 585 N LEU A 40 2.693 7.807 -1.484 1.00 0.25 N ATOM 586 CA LEU A 40 3.398 9.040 -1.378 1.00 0.24 C ATOM 587 C LEU A 40 4.592 8.755 -0.490 1.00 0.27 C ATOM 588 O LEU A 40 4.461 8.034 0.495 1.00 0.34 O ATOM 589 CB LEU A 40 2.485 10.086 -0.732 1.00 0.31 C ATOM 590 CG LEU A 40 2.964 11.532 -0.719 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.878 12.125 -2.106 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.160 12.349 0.273 1.00 0.95 C ATOM 0 H LEU A 40 2.508 7.363 -0.585 1.00 0.25 H new ATOM 0 HA LEU A 40 3.713 9.425 -2.348 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.524 10.056 -1.246 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.305 9.783 0.299 1.00 0.31 H new ATOM 0 HG LEU A 40 4.007 11.553 -0.404 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.223 13.159 -2.082 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.504 11.549 -2.787 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.844 12.096 -2.451 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.516 13.379 0.269 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.107 12.328 -0.007 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.278 11.928 1.272 1.00 0.95 H new ATOM 604 N PHE A 41 5.733 9.255 -0.844 1.00 0.28 N ATOM 605 CA PHE A 41 6.935 9.000 -0.091 1.00 0.35 C ATOM 606 C PHE A 41 7.677 10.295 0.151 1.00 0.38 C ATOM 607 O PHE A 41 8.037 10.981 -0.797 1.00 0.41 O ATOM 608 CB PHE A 41 7.834 8.007 -0.852 1.00 0.45 C ATOM 609 CG PHE A 41 9.140 7.704 -0.167 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.294 8.393 -0.507 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.207 6.745 0.820 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.483 8.128 0.130 1.00 0.88 C ATOM 613 CE2 PHE A 41 10.398 6.475 1.456 1.00 0.74 C ATOM 614 CZ PHE A 41 11.536 7.168 1.110 1.00 0.86 C ATOM 0 H PHE A 41 5.865 9.852 -1.661 1.00 0.28 H new ATOM 0 HA PHE A 41 6.665 8.563 0.871 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.287 7.075 -0.994 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.042 8.409 -1.844 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.258 9.146 -1.280 1.00 0.75 H new ATOM 0 HD2 PHE A 41 8.317 6.200 1.097 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.375 8.674 -0.140 1.00 0.88 H new ATOM 0 HE2 PHE A 41 10.439 5.719 2.227 1.00 0.74 H new ATOM 0 HZ PHE A 41 12.470 6.957 1.609 1.00 0.86 H new ATOM 624 N ASN A 42 7.862 10.643 1.417 1.00 0.46 N ATOM 625 CA ASN A 42 8.634 11.846 1.842 1.00 0.57 C ATOM 626 C ASN A 42 7.997 13.144 1.270 1.00 0.53 C ATOM 627 O ASN A 42 8.653 14.145 1.045 1.00 0.69 O ATOM 628 CB ASN A 42 10.145 11.684 1.437 1.00 0.73 C ATOM 629 CG ASN A 42 11.096 12.770 1.966 1.00 1.12 C ATOM 630 OD1 ASN A 42 11.356 13.780 1.304 1.00 1.79 O ATOM 631 ND2 ASN A 42 11.632 12.563 3.141 1.00 1.72 N ATOM 0 H ASN A 42 7.485 10.107 2.199 1.00 0.46 H new ATOM 0 HA ASN A 42 8.594 11.935 2.928 1.00 0.57 H new ATOM 0 HB2 ASN A 42 10.496 10.715 1.792 1.00 0.73 H new ATOM 0 HB3 ASN A 42 10.211 11.667 0.349 1.00 0.73 H new ATOM 0 HD21 ASN A 42 12.282 13.244 3.532 1.00 1.72 H new ATOM 0 HD22 ASN A 42 11.400 11.720 3.666 1.00 1.72 H new ATOM 638 N GLY A 43 6.705 13.088 1.014 1.00 0.45 N ATOM 639 CA GLY A 43 5.994 14.238 0.489 1.00 0.51 C ATOM 640 C GLY A 43 5.997 14.272 -1.028 1.00 0.47 C ATOM 641 O GLY A 43 5.311 15.087 -1.646 1.00 0.61 O ATOM 0 H GLY A 43 6.127 12.261 1.160 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.965 14.221 0.848 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.451 15.151 0.872 1.00 0.51 H new ATOM 645 N SER A 44 6.737 13.383 -1.620 1.00 0.38 N ATOM 646 CA SER A 44 6.851 13.296 -3.053 1.00 0.40 C ATOM 647 C SER A 44 6.123 12.067 -3.568 1.00 0.33 C ATOM 648 O SER A 44 5.971 11.071 -2.853 1.00 0.28 O ATOM 649 CB SER A 44 8.334 13.336 -3.448 1.00 0.51 C ATOM 650 OG SER A 44 9.133 12.473 -2.631 1.00 1.37 O ATOM 0 H SER A 44 7.288 12.686 -1.118 1.00 0.38 H new ATOM 0 HA SER A 44 6.369 14.152 -3.525 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.438 13.044 -4.493 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.703 14.358 -3.364 1.00 0.51 H new ATOM 0 HG SER A 44 8.569 11.768 -2.251 1.00 1.37 H new ATOM 656 N VAL A 45 5.645 12.165 -4.776 1.00 0.41 N ATOM 657 CA VAL A 45 4.832 11.140 -5.383 1.00 0.41 C ATOM 658 C VAL A 45 5.629 9.883 -5.689 1.00 0.39 C ATOM 659 O VAL A 45 6.534 9.892 -6.529 1.00 0.45 O ATOM 660 CB VAL A 45 4.130 11.654 -6.672 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.377 10.539 -7.355 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.174 12.775 -6.350 1.00 0.70 C ATOM 0 H VAL A 45 5.810 12.971 -5.379 1.00 0.41 H new ATOM 0 HA VAL A 45 4.067 10.883 -4.651 1.00 0.41 H new ATOM 0 HB VAL A 45 4.905 12.025 -7.343 1.00 0.55 H new ATOM 0 HG11 VAL A 45 2.895 10.923 -8.254 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.072 9.744 -7.627 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.620 10.143 -6.678 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.695 13.119 -7.267 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.414 12.417 -5.655 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.721 13.601 -5.895 1.00 0.70 H new ATOM 672 N LEU A 46 5.289 8.819 -5.005 1.00 0.37 N ATOM 673 CA LEU A 46 5.896 7.549 -5.245 1.00 0.40 C ATOM 674 C LEU A 46 5.077 6.833 -6.285 1.00 0.44 C ATOM 675 O LEU A 46 3.858 6.652 -6.123 1.00 0.51 O ATOM 676 CB LEU A 46 5.975 6.710 -3.959 1.00 0.44 C ATOM 677 CG LEU A 46 6.575 5.296 -4.109 1.00 0.51 C ATOM 678 CD1 LEU A 46 8.007 5.360 -4.619 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.516 4.542 -2.792 1.00 0.61 C ATOM 0 H LEU A 46 4.583 8.817 -4.268 1.00 0.37 H new ATOM 0 HA LEU A 46 6.918 7.696 -5.594 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.567 7.259 -3.227 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.970 6.615 -3.549 1.00 0.44 H new ATOM 0 HG LEU A 46 5.976 4.757 -4.843 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.405 4.350 -4.715 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.025 5.851 -5.592 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.619 5.925 -3.916 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.944 3.548 -2.922 1.00 0.61 H new ATOM 0 HD22 LEU A 46 7.083 5.085 -2.036 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.478 4.451 -2.471 1.00 0.61 H new ATOM 691 N ASN A 47 5.704 6.481 -7.354 1.00 0.54 N ATOM 692 CA ASN A 47 5.036 5.779 -8.407 1.00 0.59 C ATOM 693 C ASN A 47 5.366 4.317 -8.340 1.00 0.53 C ATOM 694 O ASN A 47 6.515 3.940 -8.079 1.00 0.64 O ATOM 695 CB ASN A 47 5.402 6.336 -9.788 1.00 0.79 C ATOM 696 CG ASN A 47 4.776 7.685 -10.071 1.00 1.54 C ATOM 697 OD1 ASN A 47 5.354 8.741 -9.775 1.00 2.47 O ATOM 698 ND2 ASN A 47 3.594 7.667 -10.647 1.00 1.94 N ATOM 0 H ASN A 47 6.691 6.669 -7.528 1.00 0.54 H new ATOM 0 HA ASN A 47 3.964 5.919 -8.268 1.00 0.59 H new ATOM 0 HB2 ASN A 47 6.486 6.423 -9.862 1.00 0.79 H new ATOM 0 HB3 ASN A 47 5.086 5.628 -10.554 1.00 0.79 H new ATOM 0 HD21 ASN A 47 3.120 8.543 -10.866 1.00 1.94 H new ATOM 0 HD22 ASN A 47 3.151 6.777 -10.875 1.00 1.94 H new ATOM 705 N GLU A 48 4.348 3.504 -8.527 1.00 0.49 N ATOM 706 CA GLU A 48 4.470 2.072 -8.574 1.00 0.53 C ATOM 707 C GLU A 48 5.331 1.758 -9.772 1.00 0.53 C ATOM 708 O GLU A 48 4.992 2.143 -10.894 1.00 0.70 O ATOM 709 CB GLU A 48 3.086 1.394 -8.737 1.00 0.69 C ATOM 710 CG GLU A 48 1.966 1.951 -7.841 1.00 0.74 C ATOM 711 CD GLU A 48 1.227 3.145 -8.461 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.848 4.211 -8.691 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.009 3.059 -8.714 1.00 1.74 O ATOM 0 H GLU A 48 3.391 3.834 -8.653 1.00 0.49 H new ATOM 0 HA GLU A 48 4.905 1.698 -7.647 1.00 0.53 H new ATOM 0 HB2 GLU A 48 2.775 1.488 -9.778 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.196 0.329 -8.532 1.00 0.69 H new ATOM 0 HG2 GLU A 48 1.249 1.157 -7.633 1.00 0.74 H new ATOM 0 HG3 GLU A 48 2.392 2.254 -6.885 1.00 0.74 H new ATOM 720 N THR A 49 6.427 1.106 -9.558 1.00 0.53 N ATOM 721 CA THR A 49 7.373 0.927 -10.601 1.00 0.58 C ATOM 722 C THR A 49 7.935 -0.512 -10.588 1.00 0.60 C ATOM 723 O THR A 49 7.336 -1.399 -9.980 1.00 0.65 O ATOM 724 CB THR A 49 8.487 2.021 -10.487 1.00 0.71 C ATOM 725 OG1 THR A 49 9.369 1.982 -11.622 1.00 1.57 O ATOM 726 CG2 THR A 49 9.291 1.868 -9.195 1.00 0.98 C ATOM 0 H THR A 49 6.687 0.688 -8.665 1.00 0.53 H new ATOM 0 HA THR A 49 6.888 1.053 -11.569 1.00 0.58 H new ATOM 0 HB THR A 49 7.986 2.989 -10.467 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.055 2.676 -11.528 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.056 2.643 -9.148 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.624 1.964 -8.338 1.00 0.98 H new ATOM 0 HG23 THR A 49 9.767 0.888 -9.177 1.00 0.98 H new ATOM 734 N SER A 50 9.040 -0.733 -11.274 1.00 0.68 N ATOM 735 CA SER A 50 9.622 -2.049 -11.436 1.00 0.78 C ATOM 736 C SER A 50 10.106 -2.652 -10.102 1.00 0.72 C ATOM 737 O SER A 50 9.748 -3.775 -9.760 1.00 0.86 O ATOM 738 CB SER A 50 10.801 -1.932 -12.397 1.00 0.96 C ATOM 739 OG SER A 50 10.446 -1.140 -13.532 1.00 1.52 O ATOM 0 H SER A 50 9.565 0.007 -11.740 1.00 0.68 H new ATOM 0 HA SER A 50 8.853 -2.716 -11.826 1.00 0.78 H new ATOM 0 HB2 SER A 50 11.652 -1.483 -11.885 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.112 -2.925 -12.722 1.00 0.96 H new ATOM 0 HG SER A 50 11.214 -1.073 -14.137 1.00 1.52 H new ATOM 745 N PHE A 51 10.874 -1.891 -9.340 1.00 0.64 N ATOM 746 CA PHE A 51 11.479 -2.422 -8.114 1.00 0.68 C ATOM 747 C PHE A 51 10.532 -2.335 -6.927 1.00 0.55 C ATOM 748 O PHE A 51 10.562 -3.186 -6.028 1.00 0.61 O ATOM 749 CB PHE A 51 12.795 -1.700 -7.800 1.00 0.87 C ATOM 750 CG PHE A 51 13.811 -1.779 -8.909 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.558 -2.927 -9.107 1.00 1.39 C ATOM 752 CD2 PHE A 51 14.022 -0.700 -9.750 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.493 -2.997 -10.124 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.952 -0.763 -10.766 1.00 1.37 C ATOM 755 CZ PHE A 51 15.690 -1.913 -10.954 1.00 1.52 C ATOM 0 H PHE A 51 11.096 -0.915 -9.538 1.00 0.64 H new ATOM 0 HA PHE A 51 11.689 -3.477 -8.291 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.582 -0.652 -7.589 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.226 -2.127 -6.894 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.409 -3.779 -8.460 1.00 1.39 H new ATOM 0 HD2 PHE A 51 13.450 0.205 -9.608 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.068 -3.900 -10.268 1.00 1.59 H new ATOM 0 HE2 PHE A 51 15.103 0.088 -11.414 1.00 1.37 H new ATOM 0 HZ PHE A 51 16.420 -1.965 -11.748 1.00 1.52 H new ATOM 765 N ILE A 52 9.700 -1.321 -6.938 1.00 0.46 N ATOM 766 CA ILE A 52 8.756 -1.068 -5.871 1.00 0.39 C ATOM 767 C ILE A 52 7.372 -1.252 -6.461 1.00 0.37 C ATOM 768 O ILE A 52 6.920 -0.399 -7.234 1.00 0.43 O ATOM 769 CB ILE A 52 8.847 0.409 -5.401 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.299 0.846 -5.207 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.081 0.595 -4.096 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.435 2.320 -4.915 1.00 0.50 C ATOM 0 H ILE A 52 9.657 -0.640 -7.696 1.00 0.46 H new ATOM 0 HA ILE A 52 8.962 -1.734 -5.033 1.00 0.39 H new ATOM 0 HB ILE A 52 8.403 1.030 -6.179 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.738 0.277 -4.388 1.00 0.46 H new ATOM 0 HG13 ILE A 52 10.869 0.605 -6.104 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.153 1.635 -3.777 1.00 0.41 H new ATOM 0 HG22 ILE A 52 7.034 0.333 -4.248 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.508 -0.050 -3.328 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.488 2.570 -4.787 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.024 2.895 -5.745 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.891 2.562 -4.002 1.00 0.50 H new ATOM 784 N PHE A 53 6.705 -2.320 -6.132 1.00 0.33 N ATOM 785 CA PHE A 53 5.406 -2.567 -6.712 1.00 0.37 C ATOM 786 C PHE A 53 4.426 -3.059 -5.676 1.00 0.31 C ATOM 787 O PHE A 53 4.805 -3.631 -4.647 1.00 0.29 O ATOM 788 CB PHE A 53 5.504 -3.541 -7.910 1.00 0.48 C ATOM 789 CG PHE A 53 6.044 -4.915 -7.599 1.00 1.06 C ATOM 790 CD1 PHE A 53 7.409 -5.145 -7.571 1.00 1.95 C ATOM 791 CD2 PHE A 53 5.187 -5.967 -7.316 1.00 1.15 C ATOM 792 CE1 PHE A 53 7.910 -6.392 -7.272 1.00 2.87 C ATOM 793 CE2 PHE A 53 5.681 -7.219 -7.019 1.00 2.02 C ATOM 794 CZ PHE A 53 7.031 -7.453 -7.060 1.00 2.89 C ATOM 0 H PHE A 53 7.029 -3.029 -5.474 1.00 0.33 H new ATOM 0 HA PHE A 53 5.027 -1.618 -7.092 1.00 0.37 H new ATOM 0 HB2 PHE A 53 4.511 -3.652 -8.345 1.00 0.48 H new ATOM 0 HB3 PHE A 53 6.137 -3.087 -8.672 1.00 0.48 H new ATOM 0 HD1 PHE A 53 8.090 -4.335 -7.787 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.119 -5.804 -7.328 1.00 1.15 H new ATOM 0 HE1 PHE A 53 8.977 -6.547 -7.202 1.00 2.87 H new ATOM 0 HE2 PHE A 53 5.003 -8.017 -6.754 1.00 2.02 H new ATOM 0 HZ PHE A 53 7.412 -8.455 -6.929 1.00 2.89 H new ATOM 804 N THR A 54 3.175 -2.817 -5.935 1.00 0.35 N ATOM 805 CA THR A 54 2.131 -3.215 -5.052 1.00 0.35 C ATOM 806 C THR A 54 1.570 -4.564 -5.504 1.00 0.35 C ATOM 807 O THR A 54 1.264 -4.757 -6.683 1.00 0.40 O ATOM 808 CB THR A 54 1.016 -2.148 -5.043 1.00 0.39 C ATOM 809 OG1 THR A 54 1.592 -0.874 -4.703 1.00 0.43 O ATOM 810 CG2 THR A 54 -0.054 -2.490 -4.022 1.00 0.44 C ATOM 0 H THR A 54 2.853 -2.333 -6.773 1.00 0.35 H new ATOM 0 HA THR A 54 2.527 -3.314 -4.041 1.00 0.35 H new ATOM 0 HB THR A 54 0.558 -2.114 -6.032 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.080 -0.158 -5.134 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.828 -1.723 -4.035 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.496 -3.456 -4.268 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.393 -2.538 -3.029 1.00 0.44 H new ATOM 818 N GLU A 55 1.482 -5.485 -4.595 1.00 0.36 N ATOM 819 CA GLU A 55 0.943 -6.778 -4.878 1.00 0.42 C ATOM 820 C GLU A 55 -0.203 -6.997 -3.924 1.00 0.44 C ATOM 821 O GLU A 55 -0.065 -6.762 -2.717 1.00 0.57 O ATOM 822 CB GLU A 55 2.013 -7.855 -4.684 1.00 0.60 C ATOM 823 CG GLU A 55 1.598 -9.252 -5.135 1.00 1.21 C ATOM 824 CD GLU A 55 1.318 -9.319 -6.620 1.00 1.38 C ATOM 825 OE1 GLU A 55 0.136 -9.411 -6.998 1.00 1.67 O ATOM 826 OE2 GLU A 55 2.271 -9.286 -7.434 1.00 2.04 O ATOM 0 H GLU A 55 1.784 -5.359 -3.629 1.00 0.36 H new ATOM 0 HA GLU A 55 0.602 -6.838 -5.912 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.908 -7.562 -5.232 1.00 0.60 H new ATOM 0 HB3 GLU A 55 2.284 -7.894 -3.629 1.00 0.60 H new ATOM 0 HG2 GLU A 55 2.387 -9.961 -4.884 1.00 1.21 H new ATOM 0 HG3 GLU A 55 0.708 -9.559 -4.586 1.00 1.21 H new ATOM 833 N PHE A 56 -1.320 -7.377 -4.436 1.00 0.52 N ATOM 834 CA PHE A 56 -2.462 -7.609 -3.613 1.00 0.62 C ATOM 835 C PHE A 56 -2.567 -9.074 -3.297 1.00 0.73 C ATOM 836 O PHE A 56 -2.635 -9.918 -4.204 1.00 0.87 O ATOM 837 CB PHE A 56 -3.733 -7.071 -4.278 1.00 0.68 C ATOM 838 CG PHE A 56 -3.710 -5.575 -4.453 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.140 -4.729 -3.439 1.00 0.69 C ATOM 840 CD2 PHE A 56 -3.278 -5.017 -5.639 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.135 -3.357 -3.612 1.00 0.69 C ATOM 842 CE2 PHE A 56 -3.268 -3.650 -5.814 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.643 -2.812 -4.750 1.00 0.61 C ATOM 0 H PHE A 56 -1.472 -7.536 -5.432 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.346 -7.068 -2.674 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.857 -7.545 -5.252 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.598 -7.349 -3.676 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.482 -5.148 -2.504 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.944 -5.660 -6.440 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.526 -2.716 -2.835 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.974 -3.226 -6.763 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.540 -1.741 -4.839 1.00 0.61 H new ATOM 853 N LEU A 57 -2.538 -9.389 -2.030 1.00 0.77 N ATOM 854 CA LEU A 57 -2.607 -10.755 -1.603 1.00 0.93 C ATOM 855 C LEU A 57 -4.064 -11.148 -1.630 1.00 1.04 C ATOM 856 O LEU A 57 -4.931 -10.286 -1.509 1.00 1.04 O ATOM 857 CB LEU A 57 -1.947 -10.924 -0.203 1.00 1.01 C ATOM 858 CG LEU A 57 -2.703 -10.442 1.035 1.00 0.99 C ATOM 859 CD1 LEU A 57 -3.674 -11.517 1.530 1.00 1.25 C ATOM 860 CD2 LEU A 57 -1.724 -10.050 2.127 1.00 1.16 C ATOM 0 H LEU A 57 -2.466 -8.710 -1.272 1.00 0.77 H new ATOM 0 HA LEU A 57 -2.048 -11.417 -2.264 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -1.733 -11.984 -0.066 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -0.989 -10.405 -0.226 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.288 -9.563 0.765 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -4.201 -11.153 2.412 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -4.395 -11.746 0.745 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -3.118 -12.419 1.786 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.274 -9.708 3.004 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -1.114 -10.912 2.395 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.080 -9.247 1.767 1.00 1.16 H new ATOM 872 N GLU A 58 -4.292 -12.430 -1.799 1.00 1.18 N ATOM 873 CA GLU A 58 -5.602 -13.048 -2.017 1.00 1.31 C ATOM 874 C GLU A 58 -6.686 -12.574 -1.040 1.00 1.24 C ATOM 875 O GLU A 58 -6.714 -13.004 0.110 1.00 1.32 O ATOM 876 CB GLU A 58 -5.448 -14.540 -1.863 1.00 1.61 C ATOM 877 CG GLU A 58 -6.628 -15.343 -2.367 1.00 2.01 C ATOM 878 CD GLU A 58 -6.501 -16.800 -2.052 1.00 2.65 C ATOM 879 OE1 GLU A 58 -5.440 -17.397 -2.373 1.00 3.36 O ATOM 880 OE2 GLU A 58 -7.446 -17.382 -1.505 1.00 2.90 O ATOM 0 H GLU A 58 -3.536 -13.115 -1.789 1.00 1.18 H new ATOM 0 HA GLU A 58 -5.928 -12.757 -3.016 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -4.552 -14.858 -2.397 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -5.290 -14.770 -0.809 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -7.544 -14.956 -1.922 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.718 -15.213 -3.445 1.00 2.01 H new ATOM 887 N PRO A 59 -7.576 -11.675 -1.474 1.00 1.21 N ATOM 888 CA PRO A 59 -8.698 -11.261 -0.674 1.00 1.25 C ATOM 889 C PRO A 59 -9.901 -12.183 -0.922 1.00 1.26 C ATOM 890 O PRO A 59 -10.094 -12.715 -2.052 1.00 1.35 O ATOM 891 CB PRO A 59 -8.978 -9.845 -1.188 1.00 1.37 C ATOM 892 CG PRO A 59 -8.550 -9.852 -2.625 1.00 1.39 C ATOM 893 CD PRO A 59 -7.546 -10.973 -2.783 1.00 1.30 C ATOM 0 HA PRO A 59 -8.508 -11.298 0.399 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.035 -9.595 -1.094 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -8.422 -9.102 -0.616 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -9.406 -10.006 -3.282 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -8.106 -8.895 -2.900 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -7.820 -11.641 -3.600 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -6.551 -10.588 -3.006 1.00 1.30 H new ATOM 901 N ALA A 60 -10.689 -12.400 0.094 1.00 1.29 N ATOM 902 CA ALA A 60 -11.873 -13.194 -0.050 1.00 1.40 C ATOM 903 C ALA A 60 -12.991 -12.295 -0.551 1.00 1.40 C ATOM 904 O ALA A 60 -12.961 -11.065 -0.363 1.00 1.33 O ATOM 905 CB ALA A 60 -12.233 -13.861 1.264 1.00 1.53 C ATOM 0 H ALA A 60 -10.530 -12.036 1.033 1.00 1.29 H new ATOM 0 HA ALA A 60 -11.707 -13.994 -0.772 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -13.135 -14.459 1.133 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.413 -14.505 1.582 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.410 -13.099 2.023 1.00 1.53 H new ATOM 911 N ALA A 61 -13.957 -12.906 -1.208 1.00 1.55 N ATOM 912 CA ALA A 61 -15.017 -12.195 -1.904 1.00 1.65 C ATOM 913 C ALA A 61 -16.005 -11.571 -0.960 1.00 1.59 C ATOM 914 O ALA A 61 -16.718 -10.648 -1.335 1.00 1.70 O ATOM 915 CB ALA A 61 -15.728 -13.111 -2.880 1.00 1.91 C ATOM 0 H ALA A 61 -14.031 -13.921 -1.276 1.00 1.55 H new ATOM 0 HA ALA A 61 -14.542 -11.385 -2.457 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -16.517 -12.558 -3.389 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.014 -13.484 -3.614 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.165 -13.951 -2.339 1.00 1.91 H new ATOM 921 N ASN A 62 -16.073 -12.080 0.240 1.00 1.52 N ATOM 922 CA ASN A 62 -16.969 -11.519 1.228 1.00 1.56 C ATOM 923 C ASN A 62 -16.270 -10.555 2.159 1.00 1.33 C ATOM 924 O ASN A 62 -16.908 -9.960 3.026 1.00 1.40 O ATOM 925 CB ASN A 62 -17.731 -12.587 2.017 1.00 1.82 C ATOM 926 CG ASN A 62 -18.777 -13.311 1.188 1.00 2.72 C ATOM 927 OD1 ASN A 62 -18.511 -14.355 0.581 1.00 3.49 O ATOM 928 ND2 ASN A 62 -19.968 -12.759 1.128 1.00 3.19 N ATOM 0 H ASN A 62 -15.524 -12.878 0.561 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.708 -10.953 0.661 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -17.021 -13.315 2.410 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -18.216 -12.119 2.874 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -20.703 -13.192 0.569 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -20.157 -11.897 1.640 1.00 3.19 H new ATOM 935 N GLU A 63 -14.970 -10.388 1.992 1.00 1.20 N ATOM 936 CA GLU A 63 -14.245 -9.419 2.792 1.00 1.07 C ATOM 937 C GLU A 63 -14.396 -8.066 2.177 1.00 0.90 C ATOM 938 O GLU A 63 -14.294 -7.919 0.960 1.00 0.97 O ATOM 939 CB GLU A 63 -12.750 -9.724 2.885 1.00 1.16 C ATOM 940 CG GLU A 63 -12.383 -10.950 3.673 1.00 1.31 C ATOM 941 CD GLU A 63 -10.893 -11.171 3.684 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.263 -11.102 4.755 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.308 -11.443 2.613 1.00 1.89 O ATOM 0 H GLU A 63 -14.402 -10.903 1.319 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.665 -9.462 3.797 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.357 -9.833 1.874 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.250 -8.865 3.331 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.745 -10.848 4.696 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.878 -11.821 3.245 1.00 1.31 H new ATOM 950 N THR A 64 -14.626 -7.093 2.988 1.00 0.80 N ATOM 951 CA THR A 64 -14.714 -5.748 2.521 1.00 0.74 C ATOM 952 C THR A 64 -13.396 -5.020 2.893 1.00 0.59 C ATOM 953 O THR A 64 -13.339 -3.803 3.104 1.00 0.61 O ATOM 954 CB THR A 64 -15.968 -5.076 3.129 1.00 0.90 C ATOM 955 OG1 THR A 64 -17.076 -5.986 2.979 1.00 1.30 O ATOM 956 CG2 THR A 64 -16.323 -3.804 2.385 1.00 1.15 C ATOM 0 H THR A 64 -14.759 -7.204 3.993 1.00 0.80 H new ATOM 0 HA THR A 64 -14.828 -5.704 1.438 1.00 0.74 H new ATOM 0 HB THR A 64 -15.765 -4.837 4.173 1.00 0.90 H new ATOM 0 HG1 THR A 64 -17.884 -5.583 3.359 1.00 1.30 H new ATOM 0 HG21 THR A 64 -17.208 -3.354 2.835 1.00 1.15 H new ATOM 0 HG22 THR A 64 -15.490 -3.103 2.444 1.00 1.15 H new ATOM 0 HG23 THR A 64 -16.526 -4.038 1.340 1.00 1.15 H new ATOM 964 N VAL A 65 -12.337 -5.821 2.983 1.00 0.53 N ATOM 965 CA VAL A 65 -11.009 -5.351 3.276 1.00 0.45 C ATOM 966 C VAL A 65 -10.100 -5.777 2.145 1.00 0.42 C ATOM 967 O VAL A 65 -10.078 -6.949 1.766 1.00 0.49 O ATOM 968 CB VAL A 65 -10.430 -5.970 4.576 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.103 -5.325 4.945 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.405 -5.888 5.715 1.00 0.61 C ATOM 0 H VAL A 65 -12.391 -6.831 2.850 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.064 -4.269 3.398 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.249 -7.027 4.379 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.720 -5.778 5.860 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.387 -5.478 4.137 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.249 -4.256 5.103 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -10.962 -6.332 6.606 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.647 -4.844 5.912 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.315 -6.429 5.455 1.00 0.61 H new ATOM 980 N ARG A 66 -9.365 -4.861 1.625 1.00 0.37 N ATOM 981 CA ARG A 66 -8.432 -5.145 0.585 1.00 0.36 C ATOM 982 C ARG A 66 -7.091 -5.399 1.251 1.00 0.34 C ATOM 983 O ARG A 66 -6.560 -4.529 1.952 1.00 0.41 O ATOM 984 CB ARG A 66 -8.356 -3.961 -0.372 1.00 0.42 C ATOM 985 CG ARG A 66 -7.453 -4.156 -1.581 1.00 1.13 C ATOM 986 CD ARG A 66 -7.419 -2.897 -2.442 1.00 1.10 C ATOM 987 NE ARG A 66 -8.751 -2.524 -2.940 1.00 0.82 N ATOM 988 CZ ARG A 66 -9.023 -1.492 -3.753 1.00 1.15 C ATOM 989 NH1 ARG A 66 -8.067 -0.661 -4.145 1.00 1.61 N ATOM 990 NH2 ARG A 66 -10.261 -1.299 -4.173 1.00 1.84 N ATOM 0 H ARG A 66 -9.391 -3.882 1.910 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.732 -6.016 0.003 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.362 -3.735 -0.724 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.009 -3.089 0.182 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.444 -4.403 -1.251 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -7.809 -4.998 -2.174 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -7.008 -2.073 -1.860 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -6.749 -3.056 -3.287 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.538 -3.101 -2.641 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -7.108 -0.801 -3.828 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -8.291 0.119 -4.763 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -11.004 -1.933 -3.879 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -10.474 -0.516 -4.791 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.570 -6.580 1.064 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.326 -6.971 1.702 1.00 0.39 C ATOM 1006 C HIS A 67 -4.204 -6.790 0.707 1.00 0.35 C ATOM 1007 O HIS A 67 -4.175 -7.452 -0.329 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.374 -8.448 2.155 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.451 -8.798 3.148 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.232 -8.885 4.499 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.756 -9.109 2.968 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.342 -9.232 5.106 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.285 -9.374 4.202 1.00 0.90 N ATOM 0 H HIS A 67 -6.985 -7.299 0.472 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.167 -6.351 2.584 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.503 -9.074 1.272 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.408 -8.706 2.590 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.282 -9.142 2.025 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.461 -9.377 6.170 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.252 -9.638 4.389 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.300 -5.897 0.990 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.257 -5.644 0.053 1.00 0.31 C ATOM 1024 C GLY A 68 -0.893 -5.598 0.674 1.00 0.24 C ATOM 1025 O GLY A 68 -0.750 -5.500 1.896 1.00 0.26 O ATOM 0 H GLY A 68 -3.267 -5.344 1.846 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.272 -6.419 -0.714 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.452 -4.696 -0.448 1.00 0.31 H new ATOM 1029 N CYS A 69 0.093 -5.655 -0.164 1.00 0.21 N ATOM 1030 CA CYS A 69 1.466 -5.619 0.229 1.00 0.20 C ATOM 1031 C CYS A 69 2.256 -4.764 -0.745 1.00 0.19 C ATOM 1032 O CYS A 69 2.105 -4.895 -1.967 1.00 0.22 O ATOM 1033 CB CYS A 69 2.012 -7.061 0.224 1.00 0.25 C ATOM 1034 SG CYS A 69 3.837 -7.219 0.232 1.00 0.36 S ATOM 0 H CYS A 69 -0.040 -5.730 -1.173 1.00 0.21 H new ATOM 0 HA CYS A 69 1.560 -5.189 1.226 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.617 -7.583 1.096 1.00 0.25 H new ATOM 0 HB3 CYS A 69 1.625 -7.573 -0.657 1.00 0.25 H new ATOM 1039 N LEU A 70 3.051 -3.873 -0.231 1.00 0.20 N ATOM 1040 CA LEU A 70 3.971 -3.142 -1.053 1.00 0.22 C ATOM 1041 C LEU A 70 5.278 -3.871 -0.939 1.00 0.23 C ATOM 1042 O LEU A 70 5.946 -3.793 0.095 1.00 0.24 O ATOM 1043 CB LEU A 70 4.135 -1.695 -0.573 1.00 0.24 C ATOM 1044 CG LEU A 70 5.035 -0.798 -1.441 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.433 -0.593 -2.814 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.288 0.536 -0.770 1.00 0.28 C ATOM 0 H LEU A 70 3.081 -3.633 0.760 1.00 0.20 H new ATOM 0 HA LEU A 70 3.612 -3.087 -2.081 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.147 -1.238 -0.514 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.539 -1.712 0.439 1.00 0.24 H new ATOM 0 HG LEU A 70 5.992 -1.306 -1.558 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.089 0.044 -3.407 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.319 -1.557 -3.309 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.457 -0.118 -2.716 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.927 1.148 -1.407 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.339 1.048 -0.608 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.780 0.373 0.189 1.00 0.28 H new ATOM 1058 N ARG A 71 5.617 -4.615 -1.945 1.00 0.30 N ATOM 1059 CA ARG A 71 6.797 -5.414 -1.880 1.00 0.35 C ATOM 1060 C ARG A 71 7.879 -4.868 -2.757 1.00 0.36 C ATOM 1061 O ARG A 71 7.670 -4.567 -3.941 1.00 0.42 O ATOM 1062 CB ARG A 71 6.517 -6.899 -2.161 1.00 0.51 C ATOM 1063 CG ARG A 71 5.802 -7.179 -3.468 1.00 1.20 C ATOM 1064 CD ARG A 71 5.601 -8.671 -3.681 1.00 1.20 C ATOM 1065 NE ARG A 71 4.805 -9.299 -2.611 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.316 -10.550 -2.663 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.521 -11.307 -3.738 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.621 -11.037 -1.640 1.00 2.68 N ATOM 0 H ARG A 71 5.094 -4.685 -2.818 1.00 0.30 H new ATOM 0 HA ARG A 71 7.158 -5.362 -0.853 1.00 0.35 H new ATOM 0 HB2 ARG A 71 7.464 -7.439 -2.159 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.919 -7.302 -1.343 1.00 0.51 H new ATOM 0 HG2 ARG A 71 4.835 -6.676 -3.471 1.00 1.20 H new ATOM 0 HG3 ARG A 71 6.379 -6.766 -4.296 1.00 1.20 H new ATOM 0 HD2 ARG A 71 5.106 -8.833 -4.639 1.00 1.20 H new ATOM 0 HD3 ARG A 71 6.574 -9.159 -3.738 1.00 1.20 H new ATOM 0 HE ARG A 71 4.612 -8.747 -1.775 1.00 1.43 H new ATOM 0 HH11 ARG A 71 5.051 -10.939 -4.528 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.148 -12.256 -3.772 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.458 -10.461 -0.814 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.251 -11.986 -1.681 1.00 2.68 H new ATOM 1082 N LEU A 72 9.009 -4.696 -2.165 1.00 0.37 N ATOM 1083 CA LEU A 72 10.143 -4.206 -2.852 1.00 0.42 C ATOM 1084 C LEU A 72 11.075 -5.352 -3.124 1.00 0.44 C ATOM 1085 O LEU A 72 11.670 -5.931 -2.201 1.00 0.49 O ATOM 1086 CB LEU A 72 10.854 -3.081 -2.070 1.00 0.50 C ATOM 1087 CG LEU A 72 10.049 -1.780 -1.845 1.00 0.70 C ATOM 1088 CD1 LEU A 72 8.973 -1.920 -0.770 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.963 -0.625 -1.538 1.00 0.61 C ATOM 0 H LEU A 72 9.169 -4.895 -1.178 1.00 0.37 H new ATOM 0 HA LEU A 72 9.819 -3.764 -3.794 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.145 -3.474 -1.096 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.773 -2.826 -2.599 1.00 0.50 H new ATOM 0 HG LEU A 72 9.529 -1.577 -2.781 1.00 0.70 H new ATOM 0 HD11 LEU A 72 8.444 -0.974 -0.660 1.00 1.23 H new ATOM 0 HD12 LEU A 72 8.268 -2.699 -1.061 1.00 1.23 H new ATOM 0 HD13 LEU A 72 9.439 -2.188 0.178 1.00 1.23 H new ATOM 0 HD21 LEU A 72 10.371 0.277 -1.384 1.00 0.61 H new ATOM 0 HD22 LEU A 72 11.534 -0.843 -0.635 1.00 0.61 H new ATOM 0 HD23 LEU A 72 11.648 -0.471 -2.372 1.00 0.61 H new ATOM 1101 N ASN A 73 11.151 -5.707 -4.390 1.00 0.56 N ATOM 1102 CA ASN A 73 12.006 -6.794 -4.860 1.00 0.72 C ATOM 1103 C ASN A 73 13.472 -6.415 -4.667 1.00 0.73 C ATOM 1104 O ASN A 73 14.309 -7.252 -4.308 1.00 0.87 O ATOM 1105 CB ASN A 73 11.693 -7.096 -6.335 1.00 0.90 C ATOM 1106 CG ASN A 73 12.511 -8.233 -6.944 1.00 1.41 C ATOM 1107 OD1 ASN A 73 12.942 -9.168 -6.260 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.689 -8.184 -8.235 1.00 1.84 N ATOM 0 H ASN A 73 10.620 -5.251 -5.132 1.00 0.56 H new ATOM 0 HA ASN A 73 11.812 -7.697 -4.281 1.00 0.72 H new ATOM 0 HB2 ASN A 73 10.635 -7.340 -6.424 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.862 -6.192 -6.920 1.00 0.90 H new ATOM 0 HD21 ASN A 73 13.197 -8.931 -8.709 1.00 1.84 H new ATOM 0 HD22 ASN A 73 12.321 -7.398 -8.771 1.00 1.84 H new ATOM 1115 N GLN A 74 13.767 -5.152 -4.867 1.00 0.66 N ATOM 1116 CA GLN A 74 15.083 -4.627 -4.631 1.00 0.72 C ATOM 1117 C GLN A 74 14.938 -3.319 -3.865 1.00 0.66 C ATOM 1118 O GLN A 74 14.569 -2.297 -4.445 1.00 0.69 O ATOM 1119 CB GLN A 74 15.819 -4.375 -5.956 1.00 0.86 C ATOM 1120 CG GLN A 74 17.249 -3.869 -5.779 1.00 1.58 C ATOM 1121 CD GLN A 74 17.927 -3.537 -7.093 1.00 2.11 C ATOM 1122 OE1 GLN A 74 18.570 -4.387 -7.714 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.795 -2.310 -7.528 1.00 2.58 N ATOM 0 H GLN A 74 13.095 -4.460 -5.199 1.00 0.66 H new ATOM 0 HA GLN A 74 15.666 -5.347 -4.057 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.839 -5.300 -6.531 1.00 0.86 H new ATOM 0 HB3 GLN A 74 15.256 -3.648 -6.541 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.239 -2.981 -5.147 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.834 -4.625 -5.256 1.00 1.58 H new ATOM 0 HE21 GLN A 74 17.256 -1.633 -6.988 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.231 -2.031 -8.407 1.00 2.58 H new ATOM 1132 N PRO A 75 15.161 -3.336 -2.549 1.00 0.75 N ATOM 1133 CA PRO A 75 15.109 -2.136 -1.741 1.00 0.84 C ATOM 1134 C PRO A 75 16.377 -1.316 -1.930 1.00 0.81 C ATOM 1135 O PRO A 75 17.491 -1.841 -1.853 1.00 0.83 O ATOM 1136 CB PRO A 75 15.019 -2.656 -0.293 1.00 1.06 C ATOM 1137 CG PRO A 75 14.879 -4.140 -0.406 1.00 1.25 C ATOM 1138 CD PRO A 75 15.453 -4.518 -1.733 1.00 0.93 C ATOM 0 HA PRO A 75 14.273 -1.489 -2.006 1.00 0.84 H new ATOM 0 HB2 PRO A 75 15.910 -2.389 0.275 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.166 -2.220 0.227 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.408 -4.643 0.403 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.833 -4.438 -0.336 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.523 -4.715 -1.672 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.986 -5.416 -2.137 1.00 0.93 H new ATOM 1146 N THR A 76 16.212 -0.062 -2.180 1.00 0.86 N ATOM 1147 CA THR A 76 17.321 0.823 -2.415 1.00 0.90 C ATOM 1148 C THR A 76 17.355 1.909 -1.330 1.00 0.84 C ATOM 1149 O THR A 76 16.420 2.026 -0.533 1.00 0.79 O ATOM 1150 CB THR A 76 17.216 1.425 -3.838 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.899 1.944 -4.060 1.00 1.17 O ATOM 1152 CG2 THR A 76 17.527 0.381 -4.896 1.00 1.22 C ATOM 0 H THR A 76 15.299 0.390 -2.229 1.00 0.86 H new ATOM 0 HA THR A 76 18.259 0.271 -2.359 1.00 0.90 H new ATOM 0 HB THR A 76 17.946 2.231 -3.914 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.247 1.403 -3.567 1.00 1.17 H new ATOM 0 HG21 THR A 76 17.446 0.831 -5.886 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.540 0.005 -4.750 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.819 -0.443 -4.813 1.00 1.22 H new ATOM 1160 N HIS A 77 18.435 2.689 -1.277 1.00 0.92 N ATOM 1161 CA HIS A 77 18.614 3.688 -0.218 1.00 0.94 C ATOM 1162 C HIS A 77 17.763 4.923 -0.431 1.00 0.81 C ATOM 1163 O HIS A 77 17.727 5.802 0.417 1.00 0.85 O ATOM 1164 CB HIS A 77 20.105 4.041 0.061 1.00 1.20 C ATOM 1165 CG HIS A 77 20.830 4.809 -1.008 1.00 1.36 C ATOM 1166 ND1 HIS A 77 20.882 6.135 -1.261 1.00 1.98 N flip ATOM 1167 CD2 HIS A 77 21.638 4.221 -1.942 1.00 1.62 C flip ATOM 1168 CE1 HIS A 77 21.705 6.308 -2.333 1.00 2.03 C flip ATOM 1169 NE2 HIS A 77 22.149 5.144 -2.723 1.00 1.72 N flip ATOM 0 H HIS A 77 19.198 2.650 -1.952 1.00 0.92 H new ATOM 0 HA HIS A 77 18.250 3.208 0.691 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.151 4.618 0.984 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.647 3.112 0.239 1.00 1.20 H new ATOM 0 HD2 HIS A 77 21.826 3.161 -2.024 1.00 1.62 H new ATOM 0 HE1 HIS A 77 21.951 7.256 -2.787 1.00 2.03 H new ATOM 0 HE2 HIS A 77 22.785 4.980 -3.503 1.00 1.72 H new ATOM 1178 N VAL A 78 17.109 4.997 -1.576 1.00 0.83 N ATOM 1179 CA VAL A 78 16.116 6.041 -1.827 1.00 0.92 C ATOM 1180 C VAL A 78 14.776 5.629 -1.215 1.00 0.90 C ATOM 1181 O VAL A 78 13.847 6.413 -1.147 1.00 1.08 O ATOM 1182 CB VAL A 78 15.910 6.378 -3.346 1.00 1.15 C ATOM 1183 CG1 VAL A 78 17.138 7.027 -3.956 1.00 1.33 C ATOM 1184 CG2 VAL A 78 15.519 5.146 -4.146 1.00 1.14 C ATOM 0 H VAL A 78 17.244 4.348 -2.352 1.00 0.83 H new ATOM 0 HA VAL A 78 16.503 6.947 -1.360 1.00 0.92 H new ATOM 0 HB VAL A 78 15.090 7.095 -3.393 1.00 1.15 H new ATOM 0 HG11 VAL A 78 16.951 7.243 -5.008 1.00 1.33 H new ATOM 0 HG12 VAL A 78 17.359 7.955 -3.429 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.988 6.350 -3.870 1.00 1.33 H new ATOM 0 HG21 VAL A 78 15.385 5.419 -5.193 1.00 1.14 H new ATOM 0 HG22 VAL A 78 16.305 4.395 -4.065 1.00 1.14 H new ATOM 0 HG23 VAL A 78 14.586 4.739 -3.755 1.00 1.14 H new ATOM 1194 N ASN A 79 14.699 4.377 -0.779 1.00 0.78 N ATOM 1195 CA ASN A 79 13.472 3.787 -0.226 1.00 0.90 C ATOM 1196 C ASN A 79 13.526 3.797 1.292 1.00 0.78 C ATOM 1197 O ASN A 79 12.948 2.945 1.958 1.00 0.96 O ATOM 1198 CB ASN A 79 13.307 2.324 -0.689 1.00 1.13 C ATOM 1199 CG ASN A 79 13.327 2.118 -2.190 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.758 1.067 -2.666 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.887 3.082 -2.948 1.00 1.22 N ATOM 0 H ASN A 79 15.489 3.732 -0.797 1.00 0.78 H new ATOM 0 HA ASN A 79 12.631 4.382 -0.582 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.104 1.727 -0.245 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.365 1.940 -0.298 1.00 1.13 H new ATOM 0 HD21 ASN A 79 12.894 2.977 -3.963 1.00 1.22 H new ATOM 0 HD22 ASN A 79 12.536 3.942 -2.527 1.00 1.22 H new ATOM 1208 N ASN A 80 14.253 4.716 1.840 1.00 0.64 N ATOM 1209 CA ASN A 80 14.409 4.780 3.276 1.00 0.59 C ATOM 1210 C ASN A 80 13.705 6.014 3.787 1.00 0.56 C ATOM 1211 O ASN A 80 14.240 7.126 3.687 1.00 0.88 O ATOM 1212 CB ASN A 80 15.902 4.835 3.626 1.00 0.72 C ATOM 1213 CG ASN A 80 16.211 4.725 5.118 1.00 1.05 C ATOM 1214 OD1 ASN A 80 15.423 5.104 5.979 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.365 4.209 5.421 1.00 1.43 N ATOM 0 H ASN A 80 14.753 5.439 1.323 1.00 0.64 H new ATOM 0 HA ASN A 80 13.973 3.896 3.742 1.00 0.59 H new ATOM 0 HB2 ASN A 80 16.414 4.028 3.102 1.00 0.72 H new ATOM 0 HB3 ASN A 80 16.315 5.771 3.251 1.00 0.72 H new ATOM 0 HD21 ASN A 80 17.638 4.109 6.399 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.997 3.904 4.681 1.00 1.43 H new ATOM 1222 N GLY A 81 12.518 5.845 4.313 1.00 0.46 N ATOM 1223 CA GLY A 81 11.797 6.981 4.793 1.00 0.49 C ATOM 1224 C GLY A 81 10.344 6.704 5.079 1.00 0.43 C ATOM 1225 O GLY A 81 9.940 5.559 5.299 1.00 0.40 O ATOM 0 H GLY A 81 12.044 4.948 4.416 1.00 0.46 H new ATOM 0 HA2 GLY A 81 12.274 7.344 5.703 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.866 7.781 4.056 1.00 0.49 H new ATOM 1229 N ASN A 82 9.568 7.759 5.070 1.00 0.45 N ATOM 1230 CA ASN A 82 8.151 7.712 5.393 1.00 0.44 C ATOM 1231 C ASN A 82 7.283 7.472 4.159 1.00 0.37 C ATOM 1232 O ASN A 82 7.279 8.275 3.209 1.00 0.46 O ATOM 1233 CB ASN A 82 7.745 9.016 6.099 1.00 0.56 C ATOM 1234 CG ASN A 82 6.264 9.109 6.433 1.00 1.27 C ATOM 1235 OD1 ASN A 82 5.587 8.110 6.667 1.00 2.23 O ATOM 1236 ND2 ASN A 82 5.767 10.311 6.474 1.00 1.65 N ATOM 0 H ASN A 82 9.902 8.694 4.835 1.00 0.45 H new ATOM 0 HA ASN A 82 7.985 6.866 6.060 1.00 0.44 H new ATOM 0 HB2 ASN A 82 8.320 9.112 7.020 1.00 0.56 H new ATOM 0 HB3 ASN A 82 8.017 9.859 5.464 1.00 0.56 H new ATOM 0 HD21 ASN A 82 4.783 10.449 6.707 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.361 11.116 6.274 1.00 1.65 H new ATOM 1243 N TYR A 83 6.569 6.371 4.193 1.00 0.29 N ATOM 1244 CA TYR A 83 5.637 5.973 3.165 1.00 0.27 C ATOM 1245 C TYR A 83 4.239 6.325 3.628 1.00 0.28 C ATOM 1246 O TYR A 83 3.837 5.973 4.736 1.00 0.47 O ATOM 1247 CB TYR A 83 5.699 4.455 2.916 1.00 0.34 C ATOM 1248 CG TYR A 83 6.980 3.950 2.297 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.060 3.642 0.944 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.123 3.799 3.070 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.240 3.190 0.388 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.300 3.351 2.521 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.312 2.999 1.137 1.00 0.60 C ATOM 1254 OH TYR A 83 10.520 2.598 0.644 1.00 0.69 O ATOM 0 H TYR A 83 6.623 5.705 4.964 1.00 0.29 H new ATOM 0 HA TYR A 83 5.893 6.489 2.240 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.548 3.942 3.866 1.00 0.34 H new ATOM 0 HB3 TYR A 83 4.868 4.176 2.268 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.187 3.758 0.319 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.086 4.038 4.123 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.288 2.990 -0.672 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.194 3.267 3.121 1.00 0.55 H new ATOM 0 HH TYR A 83 11.213 2.736 1.323 1.00 0.69 H new ATOM 1264 N THR A 84 3.529 7.024 2.823 1.00 0.22 N ATOM 1265 CA THR A 84 2.195 7.414 3.129 1.00 0.23 C ATOM 1266 C THR A 84 1.251 6.795 2.101 1.00 0.22 C ATOM 1267 O THR A 84 1.479 6.910 0.892 1.00 0.26 O ATOM 1268 CB THR A 84 2.100 8.946 3.100 1.00 0.27 C ATOM 1269 OG1 THR A 84 3.131 9.484 3.954 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.734 9.436 3.573 1.00 0.33 C ATOM 0 H THR A 84 3.860 7.350 1.915 1.00 0.22 H new ATOM 0 HA THR A 84 1.913 7.065 4.123 1.00 0.23 H new ATOM 0 HB THR A 84 2.232 9.285 2.073 1.00 0.27 H new ATOM 0 HG1 THR A 84 3.085 10.463 3.945 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.706 10.525 3.538 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.042 9.032 2.923 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.562 9.101 4.596 1.00 0.33 H new ATOM 1278 N LEU A 85 0.244 6.110 2.571 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.712 5.491 1.693 1.00 0.19 C ATOM 1280 C LEU A 85 -1.980 6.304 1.671 1.00 0.18 C ATOM 1281 O LEU A 85 -2.538 6.627 2.727 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.007 4.044 2.113 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.000 3.272 1.240 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.503 3.203 -0.172 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.201 1.880 1.771 1.00 0.22 C ATOM 0 H LEU A 85 0.064 5.966 3.564 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.286 5.459 0.690 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.066 3.494 2.129 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.387 4.055 3.135 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.954 3.799 1.261 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.218 2.652 -0.783 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.390 4.212 -0.568 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.539 2.695 -0.194 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.910 1.348 1.137 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.248 1.351 1.774 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.591 1.931 2.788 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.385 6.669 0.488 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.587 7.421 0.259 1.00 0.22 C ATOM 1299 C LEU A 86 -4.616 6.513 -0.382 1.00 0.22 C ATOM 1300 O LEU A 86 -4.309 5.817 -1.353 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.340 8.623 -0.704 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.405 9.776 -0.257 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.855 10.370 1.047 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.945 9.351 -0.181 1.00 0.32 C ATOM 0 H LEU A 86 -1.875 6.446 -0.367 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.931 7.805 1.219 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.941 8.220 -1.635 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.311 9.061 -0.937 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.474 10.544 -1.028 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -2.179 11.176 1.333 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.865 10.766 0.937 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.849 9.600 1.819 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.336 10.197 0.137 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.840 8.538 0.537 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.613 9.013 -1.163 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.794 6.486 0.165 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.896 5.772 -0.440 1.00 0.23 C ATOM 1318 C ALA A 87 -8.019 6.747 -0.608 1.00 0.29 C ATOM 1319 O ALA A 87 -8.460 7.352 0.369 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.339 4.594 0.410 1.00 0.24 C ATOM 0 H ALA A 87 -6.026 6.955 1.041 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.585 5.362 -1.401 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.169 4.084 -0.079 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.507 3.900 0.532 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.659 4.952 1.389 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.463 6.928 -1.815 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.473 7.913 -2.083 1.00 0.45 C ATOM 1328 C ALA A 88 -10.740 7.306 -2.636 1.00 0.37 C ATOM 1329 O ALA A 88 -10.704 6.508 -3.582 1.00 0.37 O ATOM 1330 CB ALA A 88 -8.935 8.968 -3.037 1.00 0.61 C ATOM 0 H ALA A 88 -8.143 6.408 -2.632 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.730 8.378 -1.131 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.709 9.710 -3.233 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.070 9.456 -2.589 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.640 8.495 -3.974 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.839 7.645 -2.023 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.154 7.324 -2.520 1.00 0.58 C ATOM 1338 C ASN A 89 -14.040 8.527 -2.241 1.00 0.57 C ATOM 1339 O ASN A 89 -13.608 9.374 -1.465 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.753 5.973 -1.957 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.954 5.869 -0.440 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.119 6.855 0.275 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -14.019 4.645 0.044 1.00 1.18 N ATOM 0 H ASN A 89 -11.849 8.163 -1.145 1.00 0.49 H new ATOM 0 HA ASN A 89 -13.094 7.130 -3.591 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.717 5.806 -2.437 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -13.098 5.159 -2.267 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.210 4.498 1.035 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.878 3.845 -0.572 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.224 8.687 -2.875 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.094 9.876 -2.666 1.00 0.68 C ATOM 1352 C PRO A 90 -16.325 10.259 -1.182 1.00 0.56 C ATOM 1353 O PRO A 90 -16.497 11.443 -0.852 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.403 9.463 -3.327 1.00 0.81 C ATOM 1355 CG PRO A 90 -16.979 8.556 -4.425 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.807 7.778 -3.887 1.00 0.74 C ATOM 0 HA PRO A 90 -15.633 10.771 -3.083 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.063 8.957 -2.623 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -17.947 10.326 -3.710 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.790 7.889 -4.716 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -16.698 9.122 -5.313 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -16.122 6.833 -3.444 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.090 7.539 -4.672 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.296 9.282 -0.294 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.510 9.540 1.118 1.00 0.50 C ATOM 1366 C CYS A 91 -15.320 10.268 1.750 1.00 0.46 C ATOM 1367 O CYS A 91 -15.492 11.038 2.700 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.822 8.256 1.896 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.135 8.538 3.683 1.00 1.10 S ATOM 0 H CYS A 91 -16.126 8.303 -0.525 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.381 10.192 1.182 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.695 7.776 1.454 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.988 7.563 1.787 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.132 10.052 1.228 1.00 0.46 N ATOM 1375 CA GLY A 92 -12.982 10.706 1.780 1.00 0.58 C ATOM 1376 C GLY A 92 -11.689 10.072 1.338 1.00 0.49 C ATOM 1377 O GLY A 92 -11.680 8.960 0.789 1.00 0.59 O ATOM 0 H GLY A 92 -13.946 9.438 0.435 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -12.988 11.755 1.484 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.042 10.681 2.868 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.609 10.773 1.560 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.295 10.285 1.254 1.00 0.42 C ATOM 1383 C GLN A 93 -8.602 9.977 2.563 1.00 0.41 C ATOM 1384 O GLN A 93 -8.444 10.864 3.414 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.483 11.330 0.474 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.090 10.851 0.067 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.231 11.956 -0.518 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.219 12.201 -1.731 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.512 12.629 0.328 1.00 1.33 N ATOM 0 H GLN A 93 -10.620 11.710 1.963 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.372 9.394 0.631 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.036 11.612 -0.422 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.384 12.228 1.083 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.588 10.430 0.938 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.187 10.048 -0.664 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.546 12.400 1.321 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -4.913 13.386 -0.001 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.177 8.770 2.722 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.531 8.351 3.937 1.00 0.33 C ATOM 1400 C ALA A 94 -6.054 8.310 3.712 1.00 0.31 C ATOM 1401 O ALA A 94 -5.600 8.006 2.604 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.008 6.971 4.333 1.00 0.37 C ATOM 0 H ALA A 94 -8.264 8.038 2.017 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.774 9.055 4.733 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.512 6.665 5.254 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.086 6.990 4.491 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.770 6.262 3.540 1.00 0.37 H new ATOM 1408 N SER A 95 -5.315 8.629 4.729 1.00 0.36 N ATOM 1409 CA SER A 95 -3.901 8.608 4.661 1.00 0.37 C ATOM 1410 C SER A 95 -3.336 8.010 5.927 1.00 0.38 C ATOM 1411 O SER A 95 -3.863 8.237 7.020 1.00 0.57 O ATOM 1412 CB SER A 95 -3.354 10.017 4.403 1.00 0.43 C ATOM 1413 OG SER A 95 -3.845 10.974 5.337 1.00 0.50 O ATOM 0 H SER A 95 -5.688 8.913 5.635 1.00 0.36 H new ATOM 0 HA SER A 95 -3.589 7.982 3.825 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.265 9.994 4.450 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.623 10.328 3.394 1.00 0.43 H new ATOM 0 HG SER A 95 -3.467 11.855 5.132 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.339 7.201 5.774 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.644 6.604 6.885 1.00 0.27 C ATOM 1421 C ALA A 96 -0.182 6.624 6.557 1.00 0.23 C ATOM 1422 O ALA A 96 0.176 6.666 5.372 1.00 0.26 O ATOM 1423 CB ALA A 96 -2.122 5.180 7.110 1.00 0.30 C ATOM 0 H ALA A 96 -1.973 6.927 4.862 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.838 7.159 7.803 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.586 4.745 7.953 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -3.191 5.184 7.323 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.933 4.587 6.215 1.00 0.30 H new ATOM 1429 N SER A 97 0.655 6.598 7.550 1.00 0.26 N ATOM 1430 CA SER A 97 2.070 6.664 7.331 1.00 0.28 C ATOM 1431 C SER A 97 2.804 5.526 8.037 1.00 0.25 C ATOM 1432 O SER A 97 2.409 5.103 9.124 1.00 0.38 O ATOM 1433 CB SER A 97 2.590 8.034 7.786 1.00 0.41 C ATOM 1434 OG SER A 97 2.180 8.330 9.123 1.00 1.26 O ATOM 0 H SER A 97 0.379 6.531 8.530 1.00 0.26 H new ATOM 0 HA SER A 97 2.266 6.545 6.265 1.00 0.28 H new ATOM 0 HB2 SER A 97 3.678 8.050 7.726 1.00 0.41 H new ATOM 0 HB3 SER A 97 2.222 8.807 7.111 1.00 0.41 H new ATOM 0 HG SER A 97 2.528 9.208 9.385 1.00 1.26 H new ATOM 1440 N ILE A 98 3.824 5.026 7.398 1.00 0.25 N ATOM 1441 CA ILE A 98 4.681 4.001 7.938 1.00 0.28 C ATOM 1442 C ILE A 98 6.096 4.388 7.533 1.00 0.28 C ATOM 1443 O ILE A 98 6.341 4.748 6.379 1.00 0.30 O ATOM 1444 CB ILE A 98 4.255 2.558 7.415 1.00 0.36 C ATOM 1445 CG1 ILE A 98 5.044 1.383 8.088 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.326 2.454 5.893 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.482 1.183 7.632 1.00 0.37 C ATOM 0 H ILE A 98 4.092 5.327 6.461 1.00 0.25 H new ATOM 0 HA ILE A 98 4.605 3.934 9.023 1.00 0.28 H new ATOM 0 HB ILE A 98 3.214 2.446 7.719 1.00 0.36 H new ATOM 0 HG12 ILE A 98 5.047 1.547 9.166 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.497 0.457 7.908 1.00 0.72 H new ATOM 0 HG21 ILE A 98 4.027 1.453 5.582 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.655 3.188 5.446 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.347 2.647 5.562 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.920 0.342 8.169 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.499 0.979 6.561 1.00 0.37 H new ATOM 0 HD13 ILE A 98 7.058 2.085 7.838 1.00 0.37 H new ATOM 1459 N MET A 99 7.004 4.374 8.449 1.00 0.34 N ATOM 1460 CA MET A 99 8.324 4.827 8.147 1.00 0.41 C ATOM 1461 C MET A 99 9.273 3.657 8.196 1.00 0.40 C ATOM 1462 O MET A 99 9.586 3.140 9.261 1.00 0.51 O ATOM 1463 CB MET A 99 8.725 5.927 9.117 1.00 0.59 C ATOM 1464 CG MET A 99 9.855 6.786 8.618 1.00 0.85 C ATOM 1465 SD MET A 99 10.179 8.187 9.694 1.00 1.25 S ATOM 1466 CE MET A 99 11.223 9.153 8.613 1.00 1.18 C ATOM 0 H MET A 99 6.861 4.057 9.408 1.00 0.34 H new ATOM 0 HA MET A 99 8.359 5.248 7.142 1.00 0.41 H new ATOM 0 HB2 MET A 99 7.859 6.559 9.315 1.00 0.59 H new ATOM 0 HB3 MET A 99 9.014 5.476 10.066 1.00 0.59 H new ATOM 0 HG2 MET A 99 10.757 6.181 8.533 1.00 0.85 H new ATOM 0 HG3 MET A 99 9.618 7.147 7.617 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.523 10.070 9.121 1.00 1.18 H new ATOM 0 HE2 MET A 99 12.110 8.575 8.352 1.00 1.18 H new ATOM 0 HE3 MET A 99 10.674 9.404 7.706 1.00 1.18 H new ATOM 1476 N ALA A 100 9.718 3.234 7.049 1.00 0.42 N ATOM 1477 CA ALA A 100 10.538 2.062 6.954 1.00 0.48 C ATOM 1478 C ALA A 100 11.940 2.400 6.506 1.00 0.48 C ATOM 1479 O ALA A 100 12.146 3.066 5.477 1.00 0.57 O ATOM 1480 CB ALA A 100 9.909 1.041 6.021 1.00 0.58 C ATOM 0 H ALA A 100 9.524 3.689 6.157 1.00 0.42 H new ATOM 0 HA ALA A 100 10.606 1.626 7.951 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.547 0.159 5.963 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.929 0.755 6.402 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.799 1.475 5.027 1.00 0.58 H new ATOM 1486 N ALA A 101 12.891 1.956 7.278 1.00 0.56 N ATOM 1487 CA ALA A 101 14.273 2.138 6.968 1.00 0.65 C ATOM 1488 C ALA A 101 14.802 0.864 6.343 1.00 0.66 C ATOM 1489 O ALA A 101 14.975 -0.149 7.033 1.00 0.77 O ATOM 1490 CB ALA A 101 15.056 2.479 8.229 1.00 0.84 C ATOM 0 H ALA A 101 12.722 1.453 8.149 1.00 0.56 H new ATOM 0 HA ALA A 101 14.389 2.964 6.267 1.00 0.65 H new ATOM 0 HB1 ALA A 101 16.108 2.615 7.978 1.00 0.84 H new ATOM 0 HB2 ALA A 101 14.664 3.399 8.663 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.957 1.667 8.950 1.00 0.84 H new ATOM 1496 N PHE A 102 14.968 0.878 5.040 1.00 0.75 N ATOM 1497 CA PHE A 102 15.513 -0.279 4.358 1.00 0.87 C ATOM 1498 C PHE A 102 17.026 -0.150 4.196 1.00 1.20 C ATOM 1499 O PHE A 102 17.785 -0.718 4.967 1.00 2.05 O ATOM 1500 CB PHE A 102 14.825 -0.538 3.004 1.00 0.97 C ATOM 1501 CG PHE A 102 13.336 -0.779 3.100 1.00 1.69 C ATOM 1502 CD1 PHE A 102 12.819 -1.667 4.023 1.00 2.20 C ATOM 1503 CD2 PHE A 102 12.461 -0.125 2.252 1.00 2.45 C ATOM 1504 CE1 PHE A 102 11.461 -1.896 4.101 1.00 3.25 C ATOM 1505 CE2 PHE A 102 11.101 -0.350 2.327 1.00 3.51 C ATOM 1506 CZ PHE A 102 10.601 -1.237 3.252 1.00 3.86 C ATOM 0 H PHE A 102 14.737 1.666 4.435 1.00 0.75 H new ATOM 0 HA PHE A 102 15.308 -1.148 4.983 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.002 0.316 2.350 1.00 0.97 H new ATOM 0 HB3 PHE A 102 15.292 -1.403 2.532 1.00 0.97 H new ATOM 0 HD1 PHE A 102 13.487 -2.189 4.692 1.00 2.20 H new ATOM 0 HD2 PHE A 102 12.847 0.571 1.522 1.00 2.45 H new ATOM 0 HE1 PHE A 102 11.072 -2.593 4.829 1.00 3.25 H new ATOM 0 HE2 PHE A 102 10.430 0.170 1.660 1.00 3.51 H new ATOM 0 HZ PHE A 102 9.538 -1.416 3.312 1.00 3.86 H new ATOM 1516 N MET A 103 17.461 0.624 3.219 1.00 1.13 N ATOM 1517 CA MET A 103 18.883 0.814 2.997 1.00 1.42 C ATOM 1518 C MET A 103 19.239 2.228 3.399 1.00 1.77 C ATOM 1519 O MET A 103 18.555 3.173 3.005 1.00 2.31 O ATOM 1520 CB MET A 103 19.253 0.570 1.528 1.00 1.94 C ATOM 1521 CG MET A 103 18.832 -0.787 0.981 1.00 2.66 C ATOM 1522 SD MET A 103 19.534 -2.180 1.886 1.00 3.68 S ATOM 1523 CE MET A 103 18.801 -3.555 0.994 1.00 4.72 C ATOM 0 H MET A 103 16.856 1.128 2.571 1.00 1.13 H new ATOM 0 HA MET A 103 19.443 0.096 3.597 1.00 1.42 H new ATOM 0 HB2 MET A 103 18.796 1.350 0.918 1.00 1.94 H new ATOM 0 HB3 MET A 103 20.333 0.671 1.418 1.00 1.94 H new ATOM 0 HG2 MET A 103 17.745 -0.858 1.007 1.00 2.66 H new ATOM 0 HG3 MET A 103 19.131 -0.856 -0.065 1.00 2.66 H new ATOM 0 HE1 MET A 103 19.232 -4.491 1.350 1.00 4.72 H new ATOM 0 HE2 MET A 103 17.724 -3.564 1.161 1.00 4.72 H new ATOM 0 HE3 MET A 103 19.002 -3.446 -0.072 1.00 4.72 H new ATOM 1533 N ASP A 104 20.255 2.372 4.208 1.00 2.30 N ATOM 1534 CA ASP A 104 20.677 3.684 4.716 1.00 3.13 C ATOM 1535 C ASP A 104 21.423 4.461 3.630 1.00 2.91 C ATOM 1536 O ASP A 104 22.182 3.879 2.847 1.00 2.44 O ATOM 1537 CB ASP A 104 21.572 3.498 5.948 1.00 4.12 C ATOM 1538 CG ASP A 104 21.885 4.794 6.671 1.00 4.81 C ATOM 1539 OD1 ASP A 104 21.130 5.198 7.575 1.00 5.16 O ATOM 1540 OD2 ASP A 104 22.894 5.437 6.328 1.00 5.33 O ATOM 0 H ASP A 104 20.824 1.594 4.543 1.00 2.30 H new ATOM 0 HA ASP A 104 19.793 4.255 5.001 1.00 3.13 H new ATOM 0 HB2 ASP A 104 21.084 2.813 6.642 1.00 4.12 H new ATOM 0 HB3 ASP A 104 22.506 3.028 5.641 1.00 4.12 H new ATOM 1545 N ASN A 105 21.177 5.754 3.557 1.00 3.53 N ATOM 1546 CA ASN A 105 21.816 6.617 2.569 1.00 3.62 C ATOM 1547 C ASN A 105 23.274 6.879 2.954 1.00 4.15 C ATOM 1548 O ASN A 105 23.547 7.376 4.043 1.00 4.99 O ATOM 1549 CB ASN A 105 21.040 7.945 2.422 1.00 4.36 C ATOM 1550 CG ASN A 105 21.674 8.909 1.416 1.00 4.74 C ATOM 1551 OD1 ASN A 105 22.472 9.826 1.888 1.00 4.89 O flip ATOM 1552 ND2 ASN A 105 21.411 8.837 0.219 1.00 5.34 N flip ATOM 0 H ASN A 105 20.530 6.241 4.178 1.00 3.53 H new ATOM 0 HA ASN A 105 21.802 6.109 1.605 1.00 3.62 H new ATOM 0 HB2 ASN A 105 20.018 7.728 2.112 1.00 4.36 H new ATOM 0 HB3 ASN A 105 20.981 8.433 3.395 1.00 4.36 H new ATOM 0 HD21 ASN A 105 20.783 8.109 -0.122 1.00 5.34 H new ATOM 0 HD22 ASN A 105 21.820 9.505 -0.434 1.00 5.34 H new ATOM 1559 N PRO A 106 24.234 6.513 2.078 1.00 3.83 N ATOM 1560 CA PRO A 106 25.666 6.686 2.348 1.00 4.48 C ATOM 1561 C PRO A 106 26.082 8.145 2.405 1.00 5.07 C ATOM 1562 O PRO A 106 25.600 8.972 1.610 1.00 4.97 O ATOM 1563 CB PRO A 106 26.350 5.999 1.162 1.00 4.12 C ATOM 1564 CG PRO A 106 25.336 6.013 0.073 1.00 3.35 C ATOM 1565 CD PRO A 106 24.003 5.901 0.753 1.00 3.04 C ATOM 0 HA PRO A 106 25.935 6.270 3.319 1.00 4.48 H new ATOM 0 HB2 PRO A 106 27.255 6.530 0.866 1.00 4.12 H new ATOM 0 HB3 PRO A 106 26.646 4.980 1.413 1.00 4.12 H new ATOM 0 HG2 PRO A 106 25.401 6.932 -0.510 1.00 3.35 H new ATOM 0 HG3 PRO A 106 25.493 5.185 -0.618 1.00 3.35 H new ATOM 0 HD2 PRO A 106 23.225 6.427 0.199 1.00 3.04 H new ATOM 0 HD3 PRO A 106 23.684 4.862 0.842 1.00 3.04 H new ATOM 1573 N PHE A 107 26.980 8.430 3.338 1.00 5.92 N ATOM 1574 CA PHE A 107 27.563 9.744 3.551 1.00 6.71 C ATOM 1575 C PHE A 107 26.485 10.799 3.762 1.00 7.07 C ATOM 1576 O PHE A 107 25.825 10.767 4.823 1.00 7.41 O ATOM 1577 CB PHE A 107 28.500 10.116 2.385 1.00 7.09 C ATOM 1578 CG PHE A 107 29.638 9.151 2.190 1.00 7.78 C ATOM 1579 CD1 PHE A 107 30.733 9.170 3.033 1.00 8.28 C ATOM 1580 CD2 PHE A 107 29.609 8.224 1.157 1.00 8.18 C ATOM 1581 CE1 PHE A 107 31.778 8.287 2.856 1.00 9.14 C ATOM 1582 CE2 PHE A 107 30.651 7.338 0.974 1.00 9.05 C ATOM 1583 CZ PHE A 107 31.736 7.368 1.825 1.00 9.52 C ATOM 1584 OXT PHE A 107 26.293 11.679 2.881 1.00 7.30 O ATOM 0 H PHE A 107 27.333 7.728 3.988 1.00 5.92 H new ATOM 0 HA PHE A 107 28.160 9.708 4.462 1.00 6.71 H new ATOM 0 HB2 PHE A 107 27.918 10.167 1.465 1.00 7.09 H new ATOM 0 HB3 PHE A 107 28.906 11.112 2.561 1.00 7.09 H new ATOM 0 HD1 PHE A 107 30.771 9.886 3.841 1.00 8.28 H new ATOM 0 HD2 PHE A 107 28.761 8.196 0.489 1.00 8.18 H new ATOM 0 HE1 PHE A 107 32.628 8.314 3.522 1.00 9.14 H new ATOM 0 HE2 PHE A 107 30.617 6.622 0.166 1.00 9.05 H new ATOM 0 HZ PHE A 107 32.552 6.674 1.686 1.00 9.52 H new TER 1594 PHE A 107