USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot -87:sc= 1.23 USER MOD Set 1.2: A 97 SER OG : rot 177:sc= 1.07 USER MOD Set 2.1: A 42 ASN : amide:sc= 1.67 K(o=2.3,f=-3.7!) USER MOD Set 2.2: A 82 ASN : amide:sc= 0.608 K(o=2.3,f=-3.7) USER MOD Set 2.3: A 99 MET CE :methyl -167:sc=-0.00343 (180deg=-0.213) USER MOD Set 3.1: A 80 ASN : amide:sc= -0.203 K(o=-0.27,f=-3.6!) USER MOD Set 3.2: A 105 ASN : amide:sc= -0.0666 K(o=-0.27,f=-3.9) USER MOD Set 4.1: A 76 THR OG1 : rot 175:sc= -0.924 USER MOD Set 4.2: A 79 ASN : amide:sc= -0.194 K(o=-4.1,f=-10!) USER MOD Set 4.3: A 83 TYR OH : rot 64:sc= -2.94! USER MOD Set 5.1: A 20 MET CE :methyl -118:sc=-0.00339 (180deg=0) USER MOD Set 5.2: A 22 HIS : no HD1:sc= 0 X(o=-0.0034,f=-0.013) USER MOD Single : A 1 ASP N :NH3+ -173:sc= 1.24 (180deg=1.13) 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 X(o=0,f=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.033 USER MOD Single : A 21 HIS : no HD1:sc=-0.00668 X(o=-0.0067,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 1.19 K(o=1.2,f=-1.1) USER MOD Single : A 36 SER OG : rot 180:sc= 0 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= 0.555 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0374 X(o=-0.037,f=-0.058) USER MOD Single : A 64 THR OG1 : rot -81:sc= 0.0521 USER MOD Single : A 67 HIS : no HD1:sc= 0.675 K(o=0.67,f=-4.2!) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.722 K(o=-0.72,f=-6.9!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -31.305 -4.321 -5.390 1.00 6.98 N ATOM 2 CA ASP A 1 -31.110 -3.571 -6.645 1.00 6.54 C ATOM 3 C ASP A 1 -30.023 -2.567 -6.504 1.00 5.59 C ATOM 4 O ASP A 1 -29.027 -2.623 -7.221 1.00 5.69 O ATOM 5 CB ASP A 1 -32.389 -2.906 -7.129 1.00 7.27 C ATOM 6 CG ASP A 1 -33.333 -3.901 -7.712 1.00 7.61 C ATOM 7 OD1 ASP A 1 -34.254 -4.333 -6.995 1.00 7.83 O ATOM 8 OD2 ASP A 1 -33.187 -4.258 -8.902 1.00 7.93 O ATOM 0 H1 ASP A 1 -31.984 -5.093 -5.549 1.00 6.98 H new ATOM 0 H2 ASP A 1 -30.396 -4.718 -5.078 1.00 6.98 H new ATOM 0 H3 ASP A 1 -31.673 -3.681 -4.657 1.00 6.98 H new ATOM 0 HA ASP A 1 -30.818 -4.300 -7.401 1.00 6.54 H new ATOM 0 HB2 ASP A 1 -32.870 -2.390 -6.298 1.00 7.27 H new ATOM 0 HB3 ASP A 1 -32.147 -2.150 -7.876 1.00 7.27 H new ATOM 15 N ASP A 2 -30.180 -1.642 -5.585 1.00 5.04 N ATOM 16 CA ASP A 2 -29.128 -0.689 -5.306 1.00 4.46 C ATOM 17 C ASP A 2 -28.238 -1.344 -4.274 1.00 3.67 C ATOM 18 O ASP A 2 -28.213 -0.967 -3.102 1.00 3.69 O ATOM 19 CB ASP A 2 -29.699 0.633 -4.770 1.00 5.12 C ATOM 20 CG ASP A 2 -28.662 1.745 -4.734 1.00 5.72 C ATOM 21 OD1 ASP A 2 -27.984 1.935 -3.718 1.00 6.17 O ATOM 22 OD2 ASP A 2 -28.518 2.452 -5.747 1.00 6.07 O ATOM 0 H ASP A 2 -31.021 -1.528 -5.020 1.00 5.04 H new ATOM 0 HA ASP A 2 -28.577 -0.439 -6.212 1.00 4.46 H new ATOM 0 HB2 ASP A 2 -30.537 0.943 -5.395 1.00 5.12 H new ATOM 0 HB3 ASP A 2 -30.092 0.474 -3.766 1.00 5.12 H new ATOM 27 N ASP A 3 -27.545 -2.371 -4.707 1.00 3.50 N ATOM 28 CA ASP A 3 -26.747 -3.216 -3.837 1.00 3.44 C ATOM 29 C ASP A 3 -25.417 -2.628 -3.496 1.00 2.86 C ATOM 30 O ASP A 3 -24.353 -3.223 -3.685 1.00 3.35 O ATOM 31 CB ASP A 3 -26.675 -4.663 -4.317 1.00 4.23 C ATOM 32 CG ASP A 3 -27.963 -5.403 -4.026 1.00 4.91 C ATOM 33 OD1 ASP A 3 -28.052 -6.115 -2.998 1.00 5.43 O ATOM 34 OD2 ASP A 3 -28.907 -5.306 -4.836 1.00 5.26 O ATOM 0 H ASP A 3 -27.517 -2.651 -5.687 1.00 3.50 H new ATOM 0 HA ASP A 3 -27.284 -3.254 -2.889 1.00 3.44 H new ATOM 0 HB2 ASP A 3 -26.475 -4.684 -5.388 1.00 4.23 H new ATOM 0 HB3 ASP A 3 -25.843 -5.170 -3.828 1.00 4.23 H new ATOM 39 N ASP A 4 -25.497 -1.445 -3.022 1.00 2.36 N ATOM 40 CA ASP A 4 -24.389 -0.685 -2.567 1.00 2.24 C ATOM 41 C ASP A 4 -24.834 -0.068 -1.260 1.00 1.92 C ATOM 42 O ASP A 4 -24.568 1.081 -0.954 1.00 2.04 O ATOM 43 CB ASP A 4 -24.055 0.386 -3.608 1.00 2.71 C ATOM 44 CG ASP A 4 -22.738 1.077 -3.382 1.00 3.25 C ATOM 45 OD1 ASP A 4 -21.688 0.441 -3.617 1.00 3.54 O ATOM 46 OD2 ASP A 4 -22.726 2.274 -3.052 1.00 3.87 O ATOM 0 H ASP A 4 -26.384 -0.949 -2.934 1.00 2.36 H new ATOM 0 HA ASP A 4 -23.490 -1.285 -2.424 1.00 2.24 H new ATOM 0 HB2 ASP A 4 -24.046 -0.074 -4.596 1.00 2.71 H new ATOM 0 HB3 ASP A 4 -24.849 1.133 -3.611 1.00 2.71 H new ATOM 51 N ASP A 5 -25.579 -0.855 -0.504 1.00 1.78 N ATOM 52 CA ASP A 5 -26.130 -0.395 0.752 1.00 1.68 C ATOM 53 C ASP A 5 -25.031 -0.218 1.752 1.00 1.53 C ATOM 54 O ASP A 5 -24.874 0.863 2.322 1.00 1.50 O ATOM 55 CB ASP A 5 -27.182 -1.361 1.300 1.00 1.90 C ATOM 56 CG ASP A 5 -27.777 -0.871 2.601 1.00 2.14 C ATOM 57 OD1 ASP A 5 -27.402 -1.366 3.678 1.00 2.55 O ATOM 58 OD2 ASP A 5 -28.629 0.047 2.568 1.00 2.43 O ATOM 0 H ASP A 5 -25.815 -1.818 -0.742 1.00 1.78 H new ATOM 0 HA ASP A 5 -26.622 0.561 0.570 1.00 1.68 H new ATOM 0 HB2 ASP A 5 -27.976 -1.489 0.564 1.00 1.90 H new ATOM 0 HB3 ASP A 5 -26.730 -2.341 1.454 1.00 1.90 H new ATOM 63 N VAL A 6 -24.220 -1.236 1.910 1.00 1.54 N ATOM 64 CA VAL A 6 -23.118 -1.140 2.804 1.00 1.49 C ATOM 65 C VAL A 6 -21.980 -0.380 2.154 1.00 1.25 C ATOM 66 O VAL A 6 -21.246 -0.887 1.309 1.00 1.34 O ATOM 67 CB VAL A 6 -22.660 -2.517 3.370 1.00 1.77 C ATOM 68 CG1 VAL A 6 -23.685 -3.052 4.336 1.00 2.08 C ATOM 69 CG2 VAL A 6 -22.404 -3.540 2.272 1.00 1.94 C ATOM 0 H VAL A 6 -24.311 -2.131 1.429 1.00 1.54 H new ATOM 0 HA VAL A 6 -23.457 -0.577 3.673 1.00 1.49 H new ATOM 0 HB VAL A 6 -21.716 -2.350 3.889 1.00 1.77 H new ATOM 0 HG11 VAL A 6 -23.352 -4.015 4.724 1.00 2.08 H new ATOM 0 HG12 VAL A 6 -23.808 -2.351 5.162 1.00 2.08 H new ATOM 0 HG13 VAL A 6 -24.638 -3.178 3.822 1.00 2.08 H new ATOM 0 HG21 VAL A 6 -22.087 -4.482 2.719 1.00 1.94 H new ATOM 0 HG22 VAL A 6 -23.319 -3.699 1.702 1.00 1.94 H new ATOM 0 HG23 VAL A 6 -21.622 -3.173 1.608 1.00 1.94 H new ATOM 79 N SER A 7 -21.892 0.855 2.490 1.00 1.06 N ATOM 80 CA SER A 7 -20.867 1.680 1.989 1.00 0.91 C ATOM 81 C SER A 7 -19.930 2.000 3.121 1.00 0.81 C ATOM 82 O SER A 7 -20.213 2.844 3.958 1.00 0.91 O ATOM 83 CB SER A 7 -21.462 2.955 1.372 1.00 1.01 C ATOM 84 OG SER A 7 -20.469 3.782 0.788 1.00 1.58 O ATOM 0 H SER A 7 -22.538 1.321 3.127 1.00 1.06 H new ATOM 0 HA SER A 7 -20.317 1.169 1.199 1.00 0.91 H new ATOM 0 HB2 SER A 7 -22.196 2.681 0.614 1.00 1.01 H new ATOM 0 HB3 SER A 7 -21.992 3.516 2.142 1.00 1.01 H new ATOM 0 HG SER A 7 -20.891 4.580 0.407 1.00 1.58 H new ATOM 90 N PHE A 8 -18.854 1.284 3.177 1.00 0.75 N ATOM 91 CA PHE A 8 -17.841 1.541 4.153 1.00 0.70 C ATOM 92 C PHE A 8 -16.880 2.526 3.542 1.00 0.53 C ATOM 93 O PHE A 8 -16.473 2.358 2.398 1.00 0.54 O ATOM 94 CB PHE A 8 -17.106 0.241 4.529 1.00 0.85 C ATOM 95 CG PHE A 8 -17.960 -0.802 5.207 1.00 0.77 C ATOM 96 CD1 PHE A 8 -18.639 -1.760 4.468 1.00 0.88 C ATOM 97 CD2 PHE A 8 -18.065 -0.835 6.584 1.00 1.01 C ATOM 98 CE1 PHE A 8 -19.409 -2.723 5.089 1.00 0.85 C ATOM 99 CE2 PHE A 8 -18.836 -1.796 7.212 1.00 1.19 C ATOM 100 CZ PHE A 8 -19.507 -2.741 6.463 1.00 0.96 C ATOM 0 H PHE A 8 -18.651 0.506 2.550 1.00 0.75 H new ATOM 0 HA PHE A 8 -18.281 1.941 5.066 1.00 0.70 H new ATOM 0 HB2 PHE A 8 -16.680 -0.192 3.624 1.00 0.85 H new ATOM 0 HB3 PHE A 8 -16.273 0.490 5.186 1.00 0.85 H new ATOM 0 HD1 PHE A 8 -18.564 -1.752 3.391 1.00 0.88 H new ATOM 0 HD2 PHE A 8 -17.539 -0.102 7.177 1.00 1.01 H new ATOM 0 HE1 PHE A 8 -19.933 -3.460 4.499 1.00 0.85 H new ATOM 0 HE2 PHE A 8 -18.913 -1.807 8.289 1.00 1.19 H new ATOM 0 HZ PHE A 8 -20.108 -3.493 6.953 1.00 0.96 H new ATOM 110 N CYS A 9 -16.513 3.518 4.277 1.00 0.49 N ATOM 111 CA CYS A 9 -15.621 4.537 3.781 1.00 0.44 C ATOM 112 C CYS A 9 -14.205 4.029 3.934 1.00 0.37 C ATOM 113 O CYS A 9 -14.001 2.964 4.500 1.00 0.40 O ATOM 114 CB CYS A 9 -15.853 5.816 4.569 1.00 0.62 C ATOM 115 SG CYS A 9 -17.583 6.378 4.489 1.00 1.32 S ATOM 0 H CYS A 9 -16.817 3.656 5.241 1.00 0.49 H new ATOM 0 HA CYS A 9 -15.802 4.757 2.729 1.00 0.44 H new ATOM 0 HB2 CYS A 9 -15.575 5.653 5.610 1.00 0.62 H new ATOM 0 HB3 CYS A 9 -15.201 6.600 4.184 1.00 0.62 H new ATOM 120 N ALA A 10 -13.228 4.770 3.491 1.00 0.35 N ATOM 121 CA ALA A 10 -11.902 4.223 3.428 1.00 0.35 C ATOM 122 C ALA A 10 -11.136 4.532 4.660 1.00 0.29 C ATOM 123 O ALA A 10 -11.051 5.678 5.089 1.00 0.34 O ATOM 124 CB ALA A 10 -11.143 4.742 2.214 1.00 0.45 C ATOM 0 H ALA A 10 -13.320 5.735 3.174 1.00 0.35 H new ATOM 0 HA ALA A 10 -12.008 3.142 3.338 1.00 0.35 H new ATOM 0 HB1 ALA A 10 -10.143 4.308 2.197 1.00 0.45 H new ATOM 0 HB2 ALA A 10 -11.675 4.462 1.305 1.00 0.45 H new ATOM 0 HB3 ALA A 10 -11.066 5.828 2.270 1.00 0.45 H new ATOM 130 N SER A 11 -10.658 3.494 5.265 1.00 0.27 N ATOM 131 CA SER A 11 -9.794 3.577 6.381 1.00 0.27 C ATOM 132 C SER A 11 -8.538 2.804 6.025 1.00 0.23 C ATOM 133 O SER A 11 -8.617 1.703 5.471 1.00 0.25 O ATOM 134 CB SER A 11 -10.489 3.003 7.604 1.00 0.37 C ATOM 135 OG SER A 11 -11.744 3.660 7.784 1.00 1.19 O ATOM 0 H SER A 11 -10.869 2.537 4.981 1.00 0.27 H new ATOM 0 HA SER A 11 -9.532 4.608 6.620 1.00 0.27 H new ATOM 0 HB2 SER A 11 -10.641 1.931 7.481 1.00 0.37 H new ATOM 0 HB3 SER A 11 -9.865 3.137 8.488 1.00 0.37 H new ATOM 0 HG SER A 11 -12.196 3.291 8.571 1.00 1.19 H new ATOM 141 N VAL A 12 -7.403 3.387 6.281 1.00 0.23 N ATOM 142 CA VAL A 12 -6.151 2.789 5.906 1.00 0.22 C ATOM 143 C VAL A 12 -5.351 2.446 7.130 1.00 0.24 C ATOM 144 O VAL A 12 -5.019 3.323 7.933 1.00 0.29 O ATOM 145 CB VAL A 12 -5.322 3.747 4.998 1.00 0.23 C ATOM 146 CG1 VAL A 12 -3.968 3.173 4.702 1.00 0.24 C ATOM 147 CG2 VAL A 12 -6.023 3.981 3.697 1.00 0.27 C ATOM 0 H VAL A 12 -7.317 4.287 6.754 1.00 0.23 H new ATOM 0 HA VAL A 12 -6.370 1.879 5.347 1.00 0.22 H new ATOM 0 HB VAL A 12 -5.213 4.687 5.539 1.00 0.23 H new ATOM 0 HG11 VAL A 12 -3.412 3.862 4.067 1.00 0.24 H new ATOM 0 HG12 VAL A 12 -3.425 3.021 5.635 1.00 0.24 H new ATOM 0 HG13 VAL A 12 -4.082 2.218 4.189 1.00 0.24 H new ATOM 0 HG21 VAL A 12 -5.427 4.652 3.078 1.00 0.27 H new ATOM 0 HG22 VAL A 12 -6.155 3.031 3.179 1.00 0.27 H new ATOM 0 HG23 VAL A 12 -6.998 4.430 3.885 1.00 0.27 H new ATOM 157 N GLN A 13 -5.081 1.188 7.294 1.00 0.24 N ATOM 158 CA GLN A 13 -4.261 0.739 8.360 1.00 0.29 C ATOM 159 C GLN A 13 -3.017 0.102 7.782 1.00 0.26 C ATOM 160 O GLN A 13 -3.088 -0.899 7.052 1.00 0.32 O ATOM 161 CB GLN A 13 -5.021 -0.230 9.270 1.00 0.40 C ATOM 162 CG GLN A 13 -6.247 0.399 9.922 1.00 0.68 C ATOM 163 CD GLN A 13 -6.937 -0.510 10.908 1.00 1.43 C ATOM 164 OE1 GLN A 13 -6.604 -0.513 12.094 1.00 2.18 O ATOM 165 NE2 GLN A 13 -7.899 -1.258 10.455 1.00 2.06 N ATOM 0 H GLN A 13 -5.428 0.446 6.686 1.00 0.24 H new ATOM 0 HA GLN A 13 -3.971 1.587 8.981 1.00 0.29 H new ATOM 0 HB2 GLN A 13 -5.331 -1.098 8.688 1.00 0.40 H new ATOM 0 HB3 GLN A 13 -4.349 -0.592 10.048 1.00 0.40 H new ATOM 0 HG2 GLN A 13 -5.948 1.315 10.432 1.00 0.68 H new ATOM 0 HG3 GLN A 13 -6.956 0.684 9.145 1.00 0.68 H new ATOM 0 HE21 GLN A 13 -8.146 -1.228 9.466 1.00 2.06 H new ATOM 0 HE22 GLN A 13 -8.407 -1.875 11.089 1.00 2.06 H new ATOM 174 N LEU A 14 -1.898 0.697 8.064 1.00 0.28 N ATOM 175 CA LEU A 14 -0.631 0.212 7.596 1.00 0.25 C ATOM 176 C LEU A 14 0.037 -0.628 8.646 1.00 0.25 C ATOM 177 O LEU A 14 -0.243 -0.495 9.843 1.00 0.33 O ATOM 178 CB LEU A 14 0.268 1.353 7.088 1.00 0.24 C ATOM 179 CG LEU A 14 -0.090 1.880 5.691 1.00 0.24 C ATOM 180 CD1 LEU A 14 0.665 3.142 5.365 1.00 0.23 C ATOM 181 CD2 LEU A 14 0.250 0.839 4.662 1.00 0.25 C ATOM 0 H LEU A 14 -1.836 1.542 8.632 1.00 0.28 H new ATOM 0 HA LEU A 14 -0.812 -0.432 6.735 1.00 0.25 H new ATOM 0 HB2 LEU A 14 0.218 2.180 7.797 1.00 0.24 H new ATOM 0 HB3 LEU A 14 1.301 1.005 7.076 1.00 0.24 H new ATOM 0 HG LEU A 14 -1.157 2.100 5.681 1.00 0.24 H new ATOM 0 HD11 LEU A 14 0.386 3.486 4.369 1.00 0.23 H new ATOM 0 HD12 LEU A 14 0.420 3.912 6.096 1.00 0.23 H new ATOM 0 HD13 LEU A 14 1.736 2.943 5.393 1.00 0.23 H new ATOM 0 HD21 LEU A 14 -0.004 1.212 3.670 1.00 0.25 H new ATOM 0 HD22 LEU A 14 1.317 0.619 4.705 1.00 0.25 H new ATOM 0 HD23 LEU A 14 -0.316 -0.070 4.864 1.00 0.25 H new ATOM 193 N HIS A 15 0.916 -1.476 8.218 1.00 0.21 N ATOM 194 CA HIS A 15 1.564 -2.427 9.079 1.00 0.24 C ATOM 195 C HIS A 15 3.030 -2.332 8.843 1.00 0.21 C ATOM 196 O HIS A 15 3.467 -2.056 7.728 1.00 0.22 O ATOM 197 CB HIS A 15 1.107 -3.864 8.757 1.00 0.34 C ATOM 198 CG HIS A 15 -0.296 -4.214 9.167 1.00 0.54 C ATOM 199 ND1 HIS A 15 -0.579 -5.087 10.193 1.00 0.92 N ATOM 200 CD2 HIS A 15 -1.498 -3.824 8.670 1.00 0.62 C ATOM 201 CE1 HIS A 15 -1.883 -5.215 10.312 1.00 1.03 C ATOM 202 NE2 HIS A 15 -2.462 -4.462 9.400 1.00 0.83 N ATOM 0 H HIS A 15 1.213 -1.532 7.244 1.00 0.21 H new ATOM 0 HA HIS A 15 1.309 -2.206 10.115 1.00 0.24 H new ATOM 0 HB2 HIS A 15 1.201 -4.022 7.683 1.00 0.34 H new ATOM 0 HB3 HIS A 15 1.791 -4.560 9.243 1.00 0.34 H new ATOM 0 HD2 HIS A 15 -1.662 -3.139 7.852 1.00 0.62 H new ATOM 0 HE1 HIS A 15 -2.393 -5.834 11.036 1.00 1.03 H new ATOM 0 HE2 HIS A 15 -3.468 -4.370 9.261 1.00 0.83 H new ATOM 211 N THR A 16 3.764 -2.514 9.913 1.00 0.26 N ATOM 212 CA THR A 16 5.191 -2.396 9.945 1.00 0.29 C ATOM 213 C THR A 16 5.835 -3.353 8.937 1.00 0.25 C ATOM 214 O THR A 16 5.466 -4.541 8.849 1.00 0.27 O ATOM 215 CB THR A 16 5.654 -2.714 11.366 1.00 0.38 C ATOM 216 OG1 THR A 16 4.790 -1.997 12.281 1.00 0.49 O ATOM 217 CG2 THR A 16 7.094 -2.264 11.585 1.00 0.47 C ATOM 0 H THR A 16 3.362 -2.758 10.818 1.00 0.26 H new ATOM 0 HA THR A 16 5.492 -1.385 9.669 1.00 0.29 H new ATOM 0 HB THR A 16 5.605 -3.790 11.533 1.00 0.38 H new ATOM 0 HG1 THR A 16 5.063 -2.184 13.203 1.00 0.49 H new ATOM 0 HG21 THR A 16 7.399 -2.502 12.604 1.00 0.47 H new ATOM 0 HG22 THR A 16 7.747 -2.780 10.881 1.00 0.47 H new ATOM 0 HG23 THR A 16 7.167 -1.188 11.426 1.00 0.47 H new ATOM 225 N ALA A 17 6.773 -2.823 8.188 1.00 0.28 N ATOM 226 CA ALA A 17 7.431 -3.543 7.137 1.00 0.30 C ATOM 227 C ALA A 17 8.334 -4.610 7.717 1.00 0.35 C ATOM 228 O ALA A 17 8.958 -4.404 8.765 1.00 0.40 O ATOM 229 CB ALA A 17 8.208 -2.579 6.271 1.00 0.37 C ATOM 0 H ALA A 17 7.102 -1.864 8.298 1.00 0.28 H new ATOM 0 HA ALA A 17 6.686 -4.040 6.516 1.00 0.30 H new ATOM 0 HB1 ALA A 17 8.707 -3.128 5.473 1.00 0.37 H new ATOM 0 HB2 ALA A 17 7.525 -1.849 5.837 1.00 0.37 H new ATOM 0 HB3 ALA A 17 8.953 -2.064 6.878 1.00 0.37 H new ATOM 235 N VAL A 18 8.377 -5.747 7.083 1.00 0.38 N ATOM 236 CA VAL A 18 9.161 -6.848 7.593 1.00 0.48 C ATOM 237 C VAL A 18 10.570 -6.894 7.027 1.00 0.56 C ATOM 238 O VAL A 18 10.775 -6.855 5.806 1.00 0.52 O ATOM 239 CB VAL A 18 8.462 -8.228 7.430 1.00 0.54 C ATOM 240 CG1 VAL A 18 7.238 -8.300 8.324 1.00 0.57 C ATOM 241 CG2 VAL A 18 8.061 -8.482 5.980 1.00 0.52 C ATOM 0 H VAL A 18 7.881 -5.941 6.213 1.00 0.38 H new ATOM 0 HA VAL A 18 9.244 -6.648 8.661 1.00 0.48 H new ATOM 0 HB VAL A 18 9.173 -9.000 7.724 1.00 0.54 H new ATOM 0 HG11 VAL A 18 6.755 -9.270 8.203 1.00 0.57 H new ATOM 0 HG12 VAL A 18 7.539 -8.172 9.364 1.00 0.57 H new ATOM 0 HG13 VAL A 18 6.539 -7.510 8.048 1.00 0.57 H new ATOM 0 HG21 VAL A 18 7.575 -9.455 5.902 1.00 0.52 H new ATOM 0 HG22 VAL A 18 7.371 -7.705 5.652 1.00 0.52 H new ATOM 0 HG23 VAL A 18 8.950 -8.468 5.349 1.00 0.52 H new ATOM 251 N GLU A 19 11.527 -6.960 7.928 1.00 0.72 N ATOM 252 CA GLU A 19 12.927 -7.079 7.585 1.00 0.84 C ATOM 253 C GLU A 19 13.249 -8.546 7.341 1.00 0.84 C ATOM 254 O GLU A 19 13.590 -9.307 8.266 1.00 0.96 O ATOM 255 CB GLU A 19 13.811 -6.468 8.707 1.00 1.06 C ATOM 256 CG GLU A 19 15.332 -6.755 8.630 1.00 1.72 C ATOM 257 CD GLU A 19 16.024 -6.282 7.368 1.00 2.02 C ATOM 258 OE1 GLU A 19 16.037 -7.025 6.363 1.00 2.52 O ATOM 259 OE2 GLU A 19 16.501 -5.131 7.338 1.00 2.38 O ATOM 0 H GLU A 19 11.351 -6.932 8.932 1.00 0.72 H new ATOM 0 HA GLU A 19 13.141 -6.521 6.673 1.00 0.84 H new ATOM 0 HB2 GLU A 19 13.668 -5.387 8.702 1.00 1.06 H new ATOM 0 HB3 GLU A 19 13.444 -6.834 9.666 1.00 1.06 H new ATOM 0 HG2 GLU A 19 15.816 -6.285 9.486 1.00 1.72 H new ATOM 0 HG3 GLU A 19 15.486 -7.830 8.727 1.00 1.72 H new ATOM 266 N MET A 20 13.063 -8.943 6.125 1.00 0.79 N ATOM 267 CA MET A 20 13.387 -10.259 5.669 1.00 0.84 C ATOM 268 C MET A 20 13.822 -10.147 4.228 1.00 0.81 C ATOM 269 O MET A 20 14.016 -9.018 3.768 1.00 0.84 O ATOM 270 CB MET A 20 12.257 -11.299 5.960 1.00 0.88 C ATOM 271 CG MET A 20 10.875 -11.073 5.347 1.00 0.88 C ATOM 272 SD MET A 20 10.738 -11.522 3.603 1.00 0.88 S ATOM 273 CE MET A 20 8.964 -11.344 3.396 1.00 0.58 C ATOM 0 H MET A 20 12.670 -8.345 5.398 1.00 0.79 H new ATOM 0 HA MET A 20 14.221 -10.674 6.236 1.00 0.84 H new ATOM 0 HB2 MET A 20 12.611 -12.274 5.626 1.00 0.88 H new ATOM 0 HB3 MET A 20 12.133 -11.358 7.041 1.00 0.88 H new ATOM 0 HG2 MET A 20 10.143 -11.648 5.914 1.00 0.88 H new ATOM 0 HG3 MET A 20 10.611 -10.021 5.459 1.00 0.88 H new ATOM 0 HE1 MET A 20 8.531 -12.307 3.124 1.00 0.58 H new ATOM 0 HE2 MET A 20 8.522 -10.998 4.330 1.00 0.58 H new ATOM 0 HE3 MET A 20 8.761 -10.619 2.608 1.00 0.58 H new ATOM 283 N HIS A 21 13.977 -11.263 3.516 1.00 0.92 N ATOM 284 CA HIS A 21 14.582 -11.265 2.152 1.00 1.01 C ATOM 285 C HIS A 21 13.997 -10.212 1.207 1.00 0.82 C ATOM 286 O HIS A 21 14.729 -9.581 0.438 1.00 0.95 O ATOM 287 CB HIS A 21 14.561 -12.655 1.511 1.00 1.24 C ATOM 288 CG HIS A 21 15.421 -13.667 2.219 1.00 1.65 C ATOM 289 ND1 HIS A 21 15.356 -15.009 1.967 1.00 2.31 N ATOM 290 CD2 HIS A 21 16.368 -13.520 3.180 1.00 2.19 C ATOM 291 CE1 HIS A 21 16.210 -15.645 2.729 1.00 2.75 C ATOM 292 NE2 HIS A 21 16.842 -14.767 3.480 1.00 2.66 N ATOM 0 H HIS A 21 13.697 -12.186 3.847 1.00 0.92 H new ATOM 0 HA HIS A 21 15.622 -10.981 2.310 1.00 1.01 H new ATOM 0 HB2 HIS A 21 13.534 -13.018 1.489 1.00 1.24 H new ATOM 0 HB3 HIS A 21 14.892 -12.572 0.476 1.00 1.24 H new ATOM 0 HD2 HIS A 21 16.688 -12.590 3.626 1.00 2.19 H new ATOM 0 HE1 HIS A 21 16.370 -16.713 2.740 1.00 2.75 H new ATOM 0 HE2 HIS A 21 17.563 -14.981 4.169 1.00 2.66 H new ATOM 301 N HIS A 22 12.713 -9.996 1.287 1.00 0.67 N ATOM 302 CA HIS A 22 12.075 -8.953 0.516 1.00 0.59 C ATOM 303 C HIS A 22 11.164 -8.180 1.426 1.00 0.49 C ATOM 304 O HIS A 22 10.473 -8.765 2.246 1.00 0.57 O ATOM 305 CB HIS A 22 11.333 -9.497 -0.735 1.00 0.76 C ATOM 306 CG HIS A 22 10.248 -10.504 -0.478 1.00 1.13 C ATOM 307 ND1 HIS A 22 10.472 -11.852 -0.490 1.00 1.52 N ATOM 308 CD2 HIS A 22 8.921 -10.352 -0.239 1.00 2.11 C ATOM 309 CE1 HIS A 22 9.357 -12.489 -0.270 1.00 2.06 C ATOM 310 NE2 HIS A 22 8.396 -11.609 -0.115 1.00 2.46 N ATOM 0 H HIS A 22 12.080 -10.530 1.882 1.00 0.67 H new ATOM 0 HA HIS A 22 12.842 -8.288 0.118 1.00 0.59 H new ATOM 0 HB2 HIS A 22 10.897 -8.653 -1.269 1.00 0.76 H new ATOM 0 HB3 HIS A 22 12.069 -9.949 -1.400 1.00 0.76 H new ATOM 0 HD2 HIS A 22 8.383 -9.419 -0.162 1.00 2.11 H new ATOM 0 HE1 HIS A 22 9.243 -13.562 -0.223 1.00 2.06 H new ATOM 0 HE2 HIS A 22 7.417 -11.827 0.068 1.00 2.46 H new ATOM 319 N TRP A 23 11.139 -6.897 1.276 1.00 0.41 N ATOM 320 CA TRP A 23 10.378 -6.071 2.173 1.00 0.36 C ATOM 321 C TRP A 23 8.946 -6.061 1.780 1.00 0.32 C ATOM 322 O TRP A 23 8.600 -5.822 0.614 1.00 0.44 O ATOM 323 CB TRP A 23 10.909 -4.657 2.196 1.00 0.43 C ATOM 324 CG TRP A 23 12.256 -4.524 2.814 1.00 0.47 C ATOM 325 CD1 TRP A 23 13.448 -4.798 2.236 1.00 0.52 C ATOM 326 CD2 TRP A 23 12.546 -4.054 4.128 1.00 0.56 C ATOM 327 NE1 TRP A 23 14.463 -4.565 3.121 1.00 0.57 N ATOM 328 CE2 TRP A 23 13.932 -4.095 4.290 1.00 0.60 C ATOM 329 CE3 TRP A 23 11.761 -3.612 5.184 1.00 0.70 C ATOM 330 CZ2 TRP A 23 14.553 -3.704 5.465 1.00 0.73 C ATOM 331 CZ3 TRP A 23 12.373 -3.221 6.356 1.00 0.85 C ATOM 332 CH2 TRP A 23 13.758 -3.269 6.488 1.00 0.86 C ATOM 0 H TRP A 23 11.635 -6.391 0.542 1.00 0.41 H new ATOM 0 HA TRP A 23 10.473 -6.493 3.174 1.00 0.36 H new ATOM 0 HB2 TRP A 23 10.951 -4.279 1.174 1.00 0.43 H new ATOM 0 HB3 TRP A 23 10.207 -4.026 2.741 1.00 0.43 H new ATOM 0 HD1 TRP A 23 13.578 -5.150 1.223 1.00 0.52 H new ATOM 0 HE1 TRP A 23 15.455 -4.717 2.939 1.00 0.57 H new ATOM 0 HE3 TRP A 23 10.686 -3.575 5.089 1.00 0.70 H new ATOM 0 HZ2 TRP A 23 15.627 -3.742 5.569 1.00 0.73 H new ATOM 0 HZ3 TRP A 23 11.770 -2.873 7.182 1.00 0.85 H new ATOM 0 HH2 TRP A 23 14.213 -2.957 7.416 1.00 0.86 H new ATOM 343 N CYS A 24 8.130 -6.365 2.726 1.00 0.27 N ATOM 344 CA CYS A 24 6.731 -6.386 2.539 1.00 0.25 C ATOM 345 C CYS A 24 6.116 -5.411 3.501 1.00 0.23 C ATOM 346 O CYS A 24 6.372 -5.486 4.716 1.00 0.25 O ATOM 347 CB CYS A 24 6.178 -7.800 2.779 1.00 0.28 C ATOM 348 SG CYS A 24 4.386 -7.980 2.469 1.00 0.30 S ATOM 0 H CYS A 24 8.427 -6.611 3.670 1.00 0.27 H new ATOM 0 HA CYS A 24 6.487 -6.104 1.515 1.00 0.25 H new ATOM 0 HB2 CYS A 24 6.716 -8.500 2.139 1.00 0.28 H new ATOM 0 HB3 CYS A 24 6.385 -8.087 3.810 1.00 0.28 H new ATOM 353 N ILE A 25 5.405 -4.457 2.965 1.00 0.20 N ATOM 354 CA ILE A 25 4.674 -3.505 3.752 1.00 0.19 C ATOM 355 C ILE A 25 3.190 -3.838 3.598 1.00 0.18 C ATOM 356 O ILE A 25 2.565 -3.456 2.594 1.00 0.18 O ATOM 357 CB ILE A 25 4.922 -2.056 3.260 1.00 0.21 C ATOM 358 CG1 ILE A 25 6.431 -1.756 3.205 1.00 0.25 C ATOM 359 CG2 ILE A 25 4.205 -1.062 4.170 1.00 0.22 C ATOM 360 CD1 ILE A 25 6.782 -0.376 2.694 1.00 0.30 C ATOM 0 H ILE A 25 5.317 -4.318 1.958 1.00 0.20 H new ATOM 0 HA ILE A 25 4.998 -3.563 4.791 1.00 0.19 H new ATOM 0 HB ILE A 25 4.520 -1.954 2.252 1.00 0.21 H new ATOM 0 HG12 ILE A 25 6.848 -1.876 4.205 1.00 0.25 H new ATOM 0 HG13 ILE A 25 6.912 -2.498 2.568 1.00 0.25 H new ATOM 0 HG21 ILE A 25 4.386 -0.047 3.815 1.00 0.22 H new ATOM 0 HG22 ILE A 25 3.134 -1.265 4.158 1.00 0.22 H new ATOM 0 HG23 ILE A 25 4.582 -1.163 5.188 1.00 0.22 H new ATOM 0 HD11 ILE A 25 7.865 -0.254 2.690 1.00 0.30 H new ATOM 0 HD12 ILE A 25 6.400 -0.255 1.680 1.00 0.30 H new ATOM 0 HD13 ILE A 25 6.335 0.377 3.343 1.00 0.30 H new ATOM 372 N PRO A 26 2.621 -4.596 4.538 1.00 0.20 N ATOM 373 CA PRO A 26 1.232 -5.011 4.465 1.00 0.21 C ATOM 374 C PRO A 26 0.284 -3.859 4.745 1.00 0.21 C ATOM 375 O PRO A 26 0.412 -3.151 5.757 1.00 0.23 O ATOM 376 CB PRO A 26 1.098 -6.087 5.557 1.00 0.25 C ATOM 377 CG PRO A 26 2.486 -6.340 6.045 1.00 0.28 C ATOM 378 CD PRO A 26 3.270 -5.103 5.748 1.00 0.24 C ATOM 0 HA PRO A 26 0.974 -5.375 3.471 1.00 0.21 H new ATOM 0 HB2 PRO A 26 0.454 -5.745 6.367 1.00 0.25 H new ATOM 0 HB3 PRO A 26 0.651 -6.997 5.157 1.00 0.25 H new ATOM 0 HG2 PRO A 26 2.489 -6.554 7.114 1.00 0.28 H new ATOM 0 HG3 PRO A 26 2.922 -7.205 5.545 1.00 0.28 H new ATOM 0 HD2 PRO A 26 3.219 -4.385 6.566 1.00 0.24 H new ATOM 0 HD3 PRO A 26 4.325 -5.322 5.581 1.00 0.24 H new ATOM 386 N PHE A 27 -0.651 -3.667 3.870 1.00 0.23 N ATOM 387 CA PHE A 27 -1.619 -2.637 4.045 1.00 0.25 C ATOM 388 C PHE A 27 -2.994 -3.234 4.099 1.00 0.25 C ATOM 389 O PHE A 27 -3.262 -4.283 3.491 1.00 0.30 O ATOM 390 CB PHE A 27 -1.524 -1.541 2.960 1.00 0.27 C ATOM 391 CG PHE A 27 -1.773 -1.975 1.537 1.00 0.28 C ATOM 392 CD1 PHE A 27 -3.064 -2.040 1.034 1.00 0.29 C ATOM 393 CD2 PHE A 27 -0.721 -2.294 0.703 1.00 0.32 C ATOM 394 CE1 PHE A 27 -3.295 -2.420 -0.269 1.00 0.34 C ATOM 395 CE2 PHE A 27 -0.946 -2.674 -0.603 1.00 0.36 C ATOM 396 CZ PHE A 27 -2.235 -2.738 -1.089 1.00 0.37 C ATOM 0 H PHE A 27 -0.763 -4.218 3.019 1.00 0.23 H new ATOM 0 HA PHE A 27 -1.408 -2.142 4.993 1.00 0.25 H new ATOM 0 HB2 PHE A 27 -2.238 -0.755 3.206 1.00 0.27 H new ATOM 0 HB3 PHE A 27 -0.530 -1.096 3.011 1.00 0.27 H new ATOM 0 HD1 PHE A 27 -3.898 -1.789 1.672 1.00 0.29 H new ATOM 0 HD2 PHE A 27 0.291 -2.245 1.078 1.00 0.32 H new ATOM 0 HE1 PHE A 27 -4.305 -2.469 -0.647 1.00 0.34 H new ATOM 0 HE2 PHE A 27 -0.113 -2.921 -1.245 1.00 0.36 H new ATOM 0 HZ PHE A 27 -2.413 -3.037 -2.111 1.00 0.37 H new ATOM 406 N SER A 28 -3.834 -2.633 4.864 1.00 0.25 N ATOM 407 CA SER A 28 -5.181 -3.034 4.961 1.00 0.28 C ATOM 408 C SER A 28 -6.061 -1.809 4.845 1.00 0.24 C ATOM 409 O SER A 28 -6.096 -0.955 5.739 1.00 0.27 O ATOM 410 CB SER A 28 -5.395 -3.782 6.271 1.00 0.41 C ATOM 411 OG SER A 28 -4.479 -4.882 6.342 1.00 0.88 O ATOM 0 H SER A 28 -3.594 -1.833 5.450 1.00 0.25 H new ATOM 0 HA SER A 28 -5.446 -3.716 4.153 1.00 0.28 H new ATOM 0 HB2 SER A 28 -5.242 -3.111 7.116 1.00 0.41 H new ATOM 0 HB3 SER A 28 -6.421 -4.144 6.333 1.00 0.41 H new ATOM 0 HG SER A 28 -4.612 -5.365 7.184 1.00 0.88 H new ATOM 417 N VAL A 29 -6.697 -1.692 3.723 1.00 0.23 N ATOM 418 CA VAL A 29 -7.577 -0.602 3.458 1.00 0.21 C ATOM 419 C VAL A 29 -8.998 -1.122 3.418 1.00 0.21 C ATOM 420 O VAL A 29 -9.380 -1.918 2.540 1.00 0.27 O ATOM 421 CB VAL A 29 -7.173 0.199 2.152 1.00 0.22 C ATOM 422 CG1 VAL A 29 -6.938 -0.718 0.980 1.00 0.25 C ATOM 423 CG2 VAL A 29 -8.250 1.194 1.770 1.00 0.26 C ATOM 0 H VAL A 29 -6.618 -2.360 2.956 1.00 0.23 H new ATOM 0 HA VAL A 29 -7.496 0.128 4.263 1.00 0.21 H new ATOM 0 HB VAL A 29 -6.246 0.723 2.387 1.00 0.22 H new ATOM 0 HG11 VAL A 29 -6.663 -0.128 0.106 1.00 0.25 H new ATOM 0 HG12 VAL A 29 -6.132 -1.412 1.217 1.00 0.25 H new ATOM 0 HG13 VAL A 29 -7.849 -1.278 0.768 1.00 0.25 H new ATOM 0 HG21 VAL A 29 -7.947 1.730 0.871 1.00 0.26 H new ATOM 0 HG22 VAL A 29 -9.184 0.665 1.580 1.00 0.26 H new ATOM 0 HG23 VAL A 29 -8.395 1.904 2.584 1.00 0.26 H new ATOM 433 N ASP A 30 -9.753 -0.741 4.389 1.00 0.27 N ATOM 434 CA ASP A 30 -11.107 -1.185 4.489 1.00 0.35 C ATOM 435 C ASP A 30 -12.034 -0.118 4.013 1.00 0.37 C ATOM 436 O ASP A 30 -11.820 1.079 4.264 1.00 0.48 O ATOM 437 CB ASP A 30 -11.477 -1.699 5.897 1.00 0.51 C ATOM 438 CG ASP A 30 -11.304 -0.695 7.011 1.00 0.80 C ATOM 439 OD1 ASP A 30 -10.222 -0.643 7.620 1.00 1.39 O ATOM 440 OD2 ASP A 30 -12.236 0.104 7.258 1.00 1.30 O ATOM 0 H ASP A 30 -9.454 -0.115 5.136 1.00 0.27 H new ATOM 0 HA ASP A 30 -11.215 -2.051 3.836 1.00 0.35 H new ATOM 0 HB2 ASP A 30 -12.516 -2.030 5.885 1.00 0.51 H new ATOM 0 HB3 ASP A 30 -10.866 -2.574 6.119 1.00 0.51 H new ATOM 445 N GLY A 31 -13.007 -0.547 3.268 1.00 0.37 N ATOM 446 CA GLY A 31 -13.952 0.319 2.661 1.00 0.42 C ATOM 447 C GLY A 31 -14.586 -0.395 1.508 1.00 0.46 C ATOM 448 O GLY A 31 -13.927 -1.207 0.855 1.00 0.60 O ATOM 0 H GLY A 31 -13.163 -1.534 3.065 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -14.711 0.617 3.385 1.00 0.42 H new ATOM 0 HA3 GLY A 31 -13.463 1.231 2.318 1.00 0.42 H new ATOM 452 N GLN A 32 -15.831 -0.126 1.249 1.00 0.55 N ATOM 453 CA GLN A 32 -16.524 -0.824 0.195 1.00 0.64 C ATOM 454 C GLN A 32 -16.355 -0.085 -1.124 1.00 0.61 C ATOM 455 O GLN A 32 -15.837 -0.696 -2.070 1.00 0.68 O ATOM 456 CB GLN A 32 -17.984 -1.148 0.592 1.00 0.76 C ATOM 457 CG GLN A 32 -18.817 -1.991 -0.389 1.00 0.99 C ATOM 458 CD GLN A 32 -19.291 -1.242 -1.622 1.00 1.82 C ATOM 459 OE1 GLN A 32 -18.658 -1.250 -2.666 1.00 2.42 O ATOM 460 NE2 GLN A 32 -20.368 -0.558 -1.478 1.00 2.61 N ATOM 0 H GLN A 32 -16.390 0.567 1.747 1.00 0.55 H new ATOM 0 HA GLN A 32 -16.071 -1.803 0.040 1.00 0.64 H new ATOM 0 HB2 GLN A 32 -17.965 -1.668 1.550 1.00 0.76 H new ATOM 0 HB3 GLN A 32 -18.506 -0.205 0.752 1.00 0.76 H new ATOM 0 HG2 GLN A 32 -18.223 -2.848 -0.707 1.00 0.99 H new ATOM 0 HG3 GLN A 32 -19.687 -2.384 0.138 1.00 0.99 H new ATOM 0 HE21 GLN A 32 -20.869 -0.577 -0.590 1.00 2.61 H new ATOM 0 HE22 GLN A 32 -20.722 0.004 -2.252 1.00 2.61 H new ATOM 469 N PRO A 33 -16.800 1.228 -1.257 1.00 0.59 N ATOM 470 CA PRO A 33 -16.472 1.997 -2.437 1.00 0.62 C ATOM 471 C PRO A 33 -14.966 1.979 -2.595 1.00 0.53 C ATOM 472 O PRO A 33 -14.216 2.430 -1.699 1.00 0.44 O ATOM 473 CB PRO A 33 -16.974 3.421 -2.128 1.00 0.67 C ATOM 474 CG PRO A 33 -17.333 3.410 -0.683 1.00 0.78 C ATOM 475 CD PRO A 33 -17.671 1.992 -0.354 1.00 0.63 C ATOM 0 HA PRO A 33 -16.917 1.614 -3.355 1.00 0.62 H new ATOM 0 HB2 PRO A 33 -16.203 4.163 -2.335 1.00 0.67 H new ATOM 0 HB3 PRO A 33 -17.836 3.676 -2.745 1.00 0.67 H new ATOM 0 HG2 PRO A 33 -16.503 3.765 -0.072 1.00 0.78 H new ATOM 0 HG3 PRO A 33 -18.179 4.069 -0.486 1.00 0.78 H new ATOM 0 HD2 PRO A 33 -17.470 1.761 0.692 1.00 0.63 H new ATOM 0 HD3 PRO A 33 -18.725 1.776 -0.531 1.00 0.63 H new ATOM 483 N ALA A 34 -14.548 1.451 -3.697 1.00 0.62 N ATOM 484 CA ALA A 34 -13.174 1.170 -3.967 1.00 0.60 C ATOM 485 C ALA A 34 -12.324 2.429 -4.065 1.00 0.52 C ATOM 486 O ALA A 34 -12.528 3.267 -4.949 1.00 0.63 O ATOM 487 CB ALA A 34 -13.086 0.327 -5.216 1.00 0.78 C ATOM 0 H ALA A 34 -15.173 1.194 -4.461 1.00 0.62 H new ATOM 0 HA ALA A 34 -12.761 0.613 -3.126 1.00 0.60 H new ATOM 0 HB1 ALA A 34 -12.041 0.106 -5.433 1.00 0.78 H new ATOM 0 HB2 ALA A 34 -13.631 -0.605 -5.065 1.00 0.78 H new ATOM 0 HB3 ALA A 34 -13.523 0.871 -6.054 1.00 0.78 H new ATOM 493 N PRO A 35 -11.380 2.605 -3.128 1.00 0.39 N ATOM 494 CA PRO A 35 -10.508 3.751 -3.125 1.00 0.35 C ATOM 495 C PRO A 35 -9.292 3.561 -4.029 1.00 0.41 C ATOM 496 O PRO A 35 -8.822 2.431 -4.249 1.00 0.56 O ATOM 497 CB PRO A 35 -10.067 3.838 -1.665 1.00 0.29 C ATOM 498 CG PRO A 35 -10.030 2.425 -1.200 1.00 0.31 C ATOM 499 CD PRO A 35 -11.110 1.702 -1.971 1.00 0.37 C ATOM 0 HA PRO A 35 -11.005 4.646 -3.500 1.00 0.35 H new ATOM 0 HB2 PRO A 35 -9.089 4.311 -1.574 1.00 0.29 H new ATOM 0 HB3 PRO A 35 -10.765 4.432 -1.075 1.00 0.29 H new ATOM 0 HG2 PRO A 35 -9.053 1.979 -1.386 1.00 0.31 H new ATOM 0 HG3 PRO A 35 -10.209 2.363 -0.127 1.00 0.31 H new ATOM 0 HD2 PRO A 35 -10.777 0.718 -2.300 1.00 0.37 H new ATOM 0 HD3 PRO A 35 -12.003 1.550 -1.364 1.00 0.37 H new ATOM 507 N SER A 36 -8.811 4.651 -4.561 1.00 0.39 N ATOM 508 CA SER A 36 -7.608 4.648 -5.330 1.00 0.44 C ATOM 509 C SER A 36 -6.445 4.759 -4.349 1.00 0.37 C ATOM 510 O SER A 36 -6.457 5.636 -3.473 1.00 0.41 O ATOM 511 CB SER A 36 -7.630 5.820 -6.311 1.00 0.57 C ATOM 512 OG SER A 36 -8.759 5.725 -7.186 1.00 1.37 O ATOM 0 H SER A 36 -9.248 5.568 -4.470 1.00 0.39 H new ATOM 0 HA SER A 36 -7.505 3.735 -5.916 1.00 0.44 H new ATOM 0 HB2 SER A 36 -7.668 6.760 -5.761 1.00 0.57 H new ATOM 0 HB3 SER A 36 -6.710 5.829 -6.896 1.00 0.57 H new ATOM 0 HG SER A 36 -8.758 6.484 -7.806 1.00 1.37 H new ATOM 518 N LEU A 37 -5.498 3.848 -4.447 1.00 0.33 N ATOM 519 CA LEU A 37 -4.380 3.800 -3.522 1.00 0.30 C ATOM 520 C LEU A 37 -3.149 4.424 -4.107 1.00 0.32 C ATOM 521 O LEU A 37 -2.660 3.997 -5.167 1.00 0.50 O ATOM 522 CB LEU A 37 -4.061 2.365 -3.123 1.00 0.32 C ATOM 523 CG LEU A 37 -5.096 1.630 -2.289 1.00 0.32 C ATOM 524 CD1 LEU A 37 -4.633 0.223 -2.068 1.00 0.43 C ATOM 525 CD2 LEU A 37 -5.287 2.323 -0.955 1.00 0.27 C ATOM 0 H LEU A 37 -5.480 3.124 -5.165 1.00 0.33 H new ATOM 0 HA LEU A 37 -4.680 4.367 -2.641 1.00 0.30 H new ATOM 0 HB2 LEU A 37 -3.892 1.791 -4.034 1.00 0.32 H new ATOM 0 HB3 LEU A 37 -3.122 2.369 -2.569 1.00 0.32 H new ATOM 0 HG LEU A 37 -6.050 1.628 -2.817 1.00 0.32 H new ATOM 0 HD11 LEU A 37 -5.370 -0.313 -1.470 1.00 0.43 H new ATOM 0 HD12 LEU A 37 -4.514 -0.276 -3.030 1.00 0.43 H new ATOM 0 HD13 LEU A 37 -3.678 0.233 -1.543 1.00 0.43 H new ATOM 0 HD21 LEU A 37 -6.032 1.785 -0.369 1.00 0.27 H new ATOM 0 HD22 LEU A 37 -4.341 2.338 -0.414 1.00 0.27 H new ATOM 0 HD23 LEU A 37 -5.626 3.345 -1.121 1.00 0.27 H new ATOM 537 N ARG A 38 -2.642 5.397 -3.430 1.00 0.23 N ATOM 538 CA ARG A 38 -1.457 6.062 -3.851 1.00 0.23 C ATOM 539 C ARG A 38 -0.471 6.153 -2.716 1.00 0.22 C ATOM 540 O ARG A 38 -0.815 6.571 -1.618 1.00 0.26 O ATOM 541 CB ARG A 38 -1.786 7.454 -4.415 1.00 0.28 C ATOM 542 CG ARG A 38 -0.570 8.267 -4.871 1.00 0.33 C ATOM 543 CD ARG A 38 0.316 7.461 -5.808 1.00 1.28 C ATOM 544 NE ARG A 38 -0.435 6.889 -6.922 1.00 1.98 N ATOM 545 CZ ARG A 38 -0.073 5.789 -7.603 1.00 3.10 C ATOM 546 NH1 ARG A 38 1.133 5.254 -7.424 1.00 3.72 N ATOM 547 NH2 ARG A 38 -0.898 5.264 -8.499 1.00 3.78 N ATOM 0 H ARG A 38 -3.041 5.756 -2.563 1.00 0.23 H new ATOM 0 HA ARG A 38 -0.998 5.479 -4.650 1.00 0.23 H new ATOM 0 HB2 ARG A 38 -2.465 7.337 -5.260 1.00 0.28 H new ATOM 0 HB3 ARG A 38 -2.320 8.022 -3.653 1.00 0.28 H new ATOM 0 HG2 ARG A 38 -0.905 9.174 -5.375 1.00 0.33 H new ATOM 0 HG3 ARG A 38 0.007 8.580 -4.001 1.00 0.33 H new ATOM 0 HD2 ARG A 38 1.108 8.101 -6.197 1.00 1.28 H new ATOM 0 HD3 ARG A 38 0.799 6.660 -5.249 1.00 1.28 H new ATOM 0 HE ARG A 38 -1.296 7.358 -7.203 1.00 1.98 H new ATOM 0 HH11 ARG A 38 1.787 5.679 -6.767 1.00 3.72 H new ATOM 0 HH12 ARG A 38 1.403 4.419 -7.944 1.00 3.72 H new ATOM 0 HH21 ARG A 38 -1.806 5.695 -8.670 1.00 3.78 H new ATOM 0 HH22 ARG A 38 -0.624 4.429 -9.017 1.00 3.78 H new ATOM 561 N TRP A 39 0.734 5.724 -2.979 1.00 0.22 N ATOM 562 CA TRP A 39 1.800 5.840 -2.035 1.00 0.22 C ATOM 563 C TRP A 39 2.515 7.148 -2.263 1.00 0.20 C ATOM 564 O TRP A 39 2.695 7.592 -3.414 1.00 0.26 O ATOM 565 CB TRP A 39 2.791 4.700 -2.189 1.00 0.25 C ATOM 566 CG TRP A 39 2.231 3.350 -1.927 1.00 0.25 C ATOM 567 CD1 TRP A 39 1.727 2.486 -2.844 1.00 0.29 C ATOM 568 CD2 TRP A 39 2.131 2.701 -0.661 1.00 0.24 C ATOM 569 NE1 TRP A 39 1.317 1.338 -2.231 1.00 0.29 N ATOM 570 CE2 TRP A 39 1.551 1.441 -0.888 1.00 0.26 C ATOM 571 CE3 TRP A 39 2.476 3.062 0.645 1.00 0.25 C ATOM 572 CZ2 TRP A 39 1.308 0.540 0.138 1.00 0.26 C ATOM 573 CZ3 TRP A 39 2.235 2.165 1.663 1.00 0.26 C ATOM 574 CH2 TRP A 39 1.654 0.918 1.405 1.00 0.26 C ATOM 0 H TRP A 39 1.000 5.283 -3.860 1.00 0.22 H new ATOM 0 HA TRP A 39 1.381 5.801 -1.030 1.00 0.22 H new ATOM 0 HB2 TRP A 39 3.193 4.721 -3.202 1.00 0.25 H new ATOM 0 HB3 TRP A 39 3.627 4.869 -1.510 1.00 0.25 H new ATOM 0 HD1 TRP A 39 1.660 2.679 -3.905 1.00 0.29 H new ATOM 0 HE1 TRP A 39 0.902 0.532 -2.700 1.00 0.29 H new ATOM 0 HE3 TRP A 39 2.922 4.024 0.852 1.00 0.25 H new ATOM 0 HZ2 TRP A 39 0.862 -0.424 -0.057 1.00 0.26 H new ATOM 0 HZ3 TRP A 39 2.499 2.429 2.677 1.00 0.26 H new ATOM 0 HH2 TRP A 39 1.475 0.239 2.226 1.00 0.26 H new ATOM 585 N LEU A 40 2.894 7.765 -1.206 1.00 0.25 N ATOM 586 CA LEU A 40 3.595 8.997 -1.261 1.00 0.24 C ATOM 587 C LEU A 40 4.829 8.852 -0.384 1.00 0.27 C ATOM 588 O LEU A 40 4.724 8.441 0.767 1.00 0.34 O ATOM 589 CB LEU A 40 2.679 10.097 -0.724 1.00 0.31 C ATOM 590 CG LEU A 40 3.070 11.535 -1.008 1.00 0.49 C ATOM 591 CD1 LEU A 40 2.921 11.826 -2.483 1.00 0.66 C ATOM 592 CD2 LEU A 40 2.214 12.479 -0.191 1.00 0.95 C ATOM 0 H LEU A 40 2.724 7.424 -0.260 1.00 0.25 H new ATOM 0 HA LEU A 40 3.892 9.254 -2.278 1.00 0.24 H new ATOM 0 HB2 LEU A 40 1.682 9.933 -1.132 1.00 0.31 H new ATOM 0 HB3 LEU A 40 2.605 9.976 0.357 1.00 0.31 H new ATOM 0 HG LEU A 40 4.112 11.684 -0.726 1.00 0.49 H new ATOM 0 HD11 LEU A 40 3.203 12.860 -2.680 1.00 0.66 H new ATOM 0 HD12 LEU A 40 3.567 11.158 -3.053 1.00 0.66 H new ATOM 0 HD13 LEU A 40 1.884 11.670 -2.782 1.00 0.66 H new ATOM 0 HD21 LEU A 40 2.503 13.508 -0.403 1.00 0.95 H new ATOM 0 HD22 LEU A 40 1.165 12.336 -0.451 1.00 0.95 H new ATOM 0 HD23 LEU A 40 2.356 12.273 0.870 1.00 0.95 H new ATOM 604 N PHE A 41 5.975 9.152 -0.924 1.00 0.28 N ATOM 605 CA PHE A 41 7.213 9.045 -0.188 1.00 0.35 C ATOM 606 C PHE A 41 7.656 10.423 0.231 1.00 0.38 C ATOM 607 O PHE A 41 8.220 11.175 -0.572 1.00 0.41 O ATOM 608 CB PHE A 41 8.298 8.349 -1.043 1.00 0.45 C ATOM 609 CG PHE A 41 9.678 8.343 -0.419 1.00 0.58 C ATOM 610 CD1 PHE A 41 10.691 9.140 -0.938 1.00 0.75 C ATOM 611 CD2 PHE A 41 9.956 7.557 0.684 1.00 0.60 C ATOM 612 CE1 PHE A 41 11.946 9.148 -0.369 1.00 0.88 C ATOM 613 CE2 PHE A 41 11.209 7.560 1.256 1.00 0.74 C ATOM 614 CZ PHE A 41 12.206 8.356 0.730 1.00 0.86 C ATOM 0 H PHE A 41 6.083 9.478 -1.885 1.00 0.28 H new ATOM 0 HA PHE A 41 7.056 8.434 0.701 1.00 0.35 H new ATOM 0 HB2 PHE A 41 7.992 7.319 -1.229 1.00 0.45 H new ATOM 0 HB3 PHE A 41 8.353 8.845 -2.012 1.00 0.45 H new ATOM 0 HD1 PHE A 41 10.492 9.761 -1.799 1.00 0.75 H new ATOM 0 HD2 PHE A 41 9.181 6.933 1.103 1.00 0.60 H new ATOM 0 HE1 PHE A 41 12.724 9.773 -0.782 1.00 0.88 H new ATOM 0 HE2 PHE A 41 11.411 6.939 2.116 1.00 0.74 H new ATOM 0 HZ PHE A 41 13.189 8.359 1.178 1.00 0.86 H new ATOM 624 N ASN A 42 7.351 10.767 1.472 1.00 0.46 N ATOM 625 CA ASN A 42 7.707 12.062 2.080 1.00 0.57 C ATOM 626 C ASN A 42 7.265 13.260 1.249 1.00 0.53 C ATOM 627 O ASN A 42 7.888 14.323 1.291 1.00 0.69 O ATOM 628 CB ASN A 42 9.208 12.151 2.422 1.00 0.73 C ATOM 629 CG ASN A 42 9.583 11.312 3.620 1.00 1.12 C ATOM 630 OD1 ASN A 42 9.946 10.146 3.493 1.00 1.79 O ATOM 631 ND2 ASN A 42 9.487 11.890 4.789 1.00 1.72 N ATOM 0 H ASN A 42 6.840 10.151 2.105 1.00 0.46 H new ATOM 0 HA ASN A 42 7.147 12.106 3.014 1.00 0.57 H new ATOM 0 HB2 ASN A 42 9.793 11.829 1.560 1.00 0.73 H new ATOM 0 HB3 ASN A 42 9.472 13.191 2.615 1.00 0.73 H new ATOM 0 HD21 ASN A 42 9.718 11.370 5.636 1.00 1.72 H new ATOM 0 HD22 ASN A 42 9.182 12.861 4.854 1.00 1.72 H new ATOM 638 N GLY A 43 6.187 13.089 0.513 1.00 0.45 N ATOM 639 CA GLY A 43 5.688 14.151 -0.324 1.00 0.51 C ATOM 640 C GLY A 43 5.856 13.874 -1.810 1.00 0.47 C ATOM 641 O GLY A 43 5.161 14.466 -2.632 1.00 0.61 O ATOM 0 H GLY A 43 5.643 12.227 0.480 1.00 0.45 H new ATOM 0 HA2 GLY A 43 4.631 14.309 -0.108 1.00 0.51 H new ATOM 0 HA3 GLY A 43 6.206 15.076 -0.073 1.00 0.51 H new ATOM 645 N SER A 44 6.754 12.983 -2.155 1.00 0.38 N ATOM 646 CA SER A 44 7.020 12.648 -3.549 1.00 0.40 C ATOM 647 C SER A 44 6.125 11.507 -4.009 1.00 0.33 C ATOM 648 O SER A 44 5.898 10.537 -3.273 1.00 0.28 O ATOM 649 CB SER A 44 8.493 12.277 -3.713 1.00 0.51 C ATOM 650 OG SER A 44 9.328 13.330 -3.238 1.00 1.37 O ATOM 0 H SER A 44 7.324 12.466 -1.485 1.00 0.38 H new ATOM 0 HA SER A 44 6.800 13.516 -4.170 1.00 0.40 H new ATOM 0 HB2 SER A 44 8.707 11.360 -3.164 1.00 0.51 H new ATOM 0 HB3 SER A 44 8.710 12.078 -4.763 1.00 0.51 H new ATOM 0 HG SER A 44 10.268 13.077 -3.348 1.00 1.37 H new ATOM 656 N VAL A 45 5.616 11.651 -5.211 1.00 0.41 N ATOM 657 CA VAL A 45 4.716 10.696 -5.822 1.00 0.41 C ATOM 658 C VAL A 45 5.411 9.371 -6.072 1.00 0.39 C ATOM 659 O VAL A 45 6.281 9.255 -6.946 1.00 0.45 O ATOM 660 CB VAL A 45 4.140 11.265 -7.150 1.00 0.55 C ATOM 661 CG1 VAL A 45 3.410 10.219 -7.956 1.00 0.68 C ATOM 662 CG2 VAL A 45 3.195 12.392 -6.858 1.00 0.70 C ATOM 0 H VAL A 45 5.820 12.454 -5.806 1.00 0.41 H new ATOM 0 HA VAL A 45 3.893 10.519 -5.130 1.00 0.41 H new ATOM 0 HB VAL A 45 4.989 11.616 -7.737 1.00 0.55 H new ATOM 0 HG11 VAL A 45 3.028 10.668 -8.873 1.00 0.68 H new ATOM 0 HG12 VAL A 45 4.095 9.409 -8.207 1.00 0.68 H new ATOM 0 HG13 VAL A 45 2.579 9.824 -7.372 1.00 0.68 H new ATOM 0 HG21 VAL A 45 2.797 12.784 -7.794 1.00 0.70 H new ATOM 0 HG22 VAL A 45 2.375 12.028 -6.239 1.00 0.70 H new ATOM 0 HG23 VAL A 45 3.725 13.184 -6.329 1.00 0.70 H new ATOM 672 N LEU A 46 5.046 8.383 -5.306 1.00 0.37 N ATOM 673 CA LEU A 46 5.605 7.088 -5.482 1.00 0.40 C ATOM 674 C LEU A 46 4.776 6.357 -6.504 1.00 0.44 C ATOM 675 O LEU A 46 3.572 6.114 -6.303 1.00 0.51 O ATOM 676 CB LEU A 46 5.653 6.292 -4.179 1.00 0.44 C ATOM 677 CG LEU A 46 6.391 4.948 -4.270 1.00 0.51 C ATOM 678 CD1 LEU A 46 7.882 5.161 -4.481 1.00 0.57 C ATOM 679 CD2 LEU A 46 6.127 4.085 -3.053 1.00 0.61 C ATOM 0 H LEU A 46 4.361 8.457 -4.554 1.00 0.37 H new ATOM 0 HA LEU A 46 6.636 7.196 -5.819 1.00 0.40 H new ATOM 0 HB2 LEU A 46 6.133 6.903 -3.414 1.00 0.44 H new ATOM 0 HB3 LEU A 46 4.632 6.108 -3.845 1.00 0.44 H new ATOM 0 HG LEU A 46 6.001 4.414 -5.137 1.00 0.51 H new ATOM 0 HD11 LEU A 46 8.383 4.195 -4.542 1.00 0.57 H new ATOM 0 HD12 LEU A 46 8.043 5.712 -5.407 1.00 0.57 H new ATOM 0 HD13 LEU A 46 8.290 5.729 -3.645 1.00 0.57 H new ATOM 0 HD21 LEU A 46 6.665 3.142 -3.152 1.00 0.61 H new ATOM 0 HD22 LEU A 46 6.467 4.605 -2.158 1.00 0.61 H new ATOM 0 HD23 LEU A 46 5.058 3.886 -2.973 1.00 0.61 H new ATOM 691 N ASN A 47 5.381 6.070 -7.599 1.00 0.54 N ATOM 692 CA ASN A 47 4.731 5.358 -8.648 1.00 0.59 C ATOM 693 C ASN A 47 5.320 3.960 -8.683 1.00 0.53 C ATOM 694 O ASN A 47 6.516 3.782 -8.435 1.00 0.64 O ATOM 695 CB ASN A 47 4.892 6.080 -10.010 1.00 0.79 C ATOM 696 CG ASN A 47 6.324 6.161 -10.516 1.00 1.54 C ATOM 697 OD1 ASN A 47 6.788 5.289 -11.253 1.00 2.47 O ATOM 698 ND2 ASN A 47 7.022 7.206 -10.155 1.00 1.94 N ATOM 0 H ASN A 47 6.349 6.323 -7.798 1.00 0.54 H new ATOM 0 HA ASN A 47 3.658 5.308 -8.461 1.00 0.59 H new ATOM 0 HB2 ASN A 47 4.286 5.564 -10.754 1.00 0.79 H new ATOM 0 HB3 ASN A 47 4.494 7.091 -9.920 1.00 0.79 H new ATOM 0 HD21 ASN A 47 7.981 7.318 -10.485 1.00 1.94 H new ATOM 0 HD22 ASN A 47 6.608 7.910 -9.544 1.00 1.94 H new ATOM 705 N GLU A 48 4.478 2.994 -8.909 1.00 0.49 N ATOM 706 CA GLU A 48 4.840 1.599 -8.920 1.00 0.53 C ATOM 707 C GLU A 48 5.782 1.286 -10.085 1.00 0.53 C ATOM 708 O GLU A 48 5.367 1.274 -11.256 1.00 0.70 O ATOM 709 CB GLU A 48 3.577 0.708 -8.996 1.00 0.69 C ATOM 710 CG GLU A 48 2.526 0.952 -7.895 1.00 0.74 C ATOM 711 CD GLU A 48 1.529 2.084 -8.185 1.00 1.12 C ATOM 712 OE1 GLU A 48 1.930 3.087 -8.778 1.00 1.56 O ATOM 713 OE2 GLU A 48 0.335 1.998 -7.811 1.00 1.74 O ATOM 0 H GLU A 48 3.489 3.156 -9.097 1.00 0.49 H new ATOM 0 HA GLU A 48 5.364 1.381 -7.989 1.00 0.53 H new ATOM 0 HB2 GLU A 48 3.104 0.861 -9.966 1.00 0.69 H new ATOM 0 HB3 GLU A 48 3.887 -0.336 -8.953 1.00 0.69 H new ATOM 0 HG2 GLU A 48 1.968 0.029 -7.736 1.00 0.74 H new ATOM 0 HG3 GLU A 48 3.044 1.175 -6.963 1.00 0.74 H new ATOM 720 N THR A 49 7.028 1.046 -9.771 1.00 0.53 N ATOM 721 CA THR A 49 8.032 0.763 -10.753 1.00 0.58 C ATOM 722 C THR A 49 8.269 -0.747 -10.844 1.00 0.60 C ATOM 723 O THR A 49 7.468 -1.539 -10.333 1.00 0.65 O ATOM 724 CB THR A 49 9.373 1.489 -10.413 1.00 0.71 C ATOM 725 OG1 THR A 49 9.846 1.096 -9.103 1.00 1.57 O ATOM 726 CG2 THR A 49 9.205 2.999 -10.461 1.00 0.98 C ATOM 0 H THR A 49 7.375 1.042 -8.812 1.00 0.53 H new ATOM 0 HA THR A 49 7.676 1.132 -11.715 1.00 0.58 H new ATOM 0 HB THR A 49 10.107 1.195 -11.163 1.00 0.71 H new ATOM 0 HG1 THR A 49 10.687 1.558 -8.907 1.00 1.57 H new ATOM 0 HG21 THR A 49 10.154 3.478 -10.220 1.00 0.98 H new ATOM 0 HG22 THR A 49 8.890 3.298 -11.461 1.00 0.98 H new ATOM 0 HG23 THR A 49 8.450 3.304 -9.736 1.00 0.98 H new ATOM 734 N SER A 50 9.334 -1.147 -11.481 1.00 0.68 N ATOM 735 CA SER A 50 9.693 -2.539 -11.558 1.00 0.78 C ATOM 736 C SER A 50 10.429 -2.942 -10.266 1.00 0.72 C ATOM 737 O SER A 50 10.595 -4.118 -9.969 1.00 0.86 O ATOM 738 CB SER A 50 10.585 -2.742 -12.796 1.00 0.96 C ATOM 739 OG SER A 50 10.910 -4.106 -13.046 1.00 1.52 O ATOM 0 H SER A 50 9.978 -0.519 -11.962 1.00 0.68 H new ATOM 0 HA SER A 50 8.808 -3.167 -11.654 1.00 0.78 H new ATOM 0 HB2 SER A 50 10.079 -2.332 -13.670 1.00 0.96 H new ATOM 0 HB3 SER A 50 11.507 -2.175 -12.666 1.00 0.96 H new ATOM 0 HG SER A 50 11.475 -4.167 -13.844 1.00 1.52 H new ATOM 745 N PHE A 51 10.829 -1.940 -9.492 1.00 0.64 N ATOM 746 CA PHE A 51 11.593 -2.169 -8.282 1.00 0.68 C ATOM 747 C PHE A 51 10.697 -2.052 -7.052 1.00 0.55 C ATOM 748 O PHE A 51 10.828 -2.817 -6.092 1.00 0.61 O ATOM 749 CB PHE A 51 12.758 -1.169 -8.200 1.00 0.87 C ATOM 750 CG PHE A 51 13.679 -1.210 -9.400 1.00 1.08 C ATOM 751 CD1 PHE A 51 14.718 -2.126 -9.467 1.00 1.39 C ATOM 752 CD2 PHE A 51 13.510 -0.327 -10.450 1.00 1.16 C ATOM 753 CE1 PHE A 51 15.564 -2.155 -10.560 1.00 1.59 C ATOM 754 CE2 PHE A 51 14.353 -0.353 -11.543 1.00 1.37 C ATOM 755 CZ PHE A 51 15.358 -1.301 -11.611 1.00 1.52 C ATOM 0 H PHE A 51 10.633 -0.958 -9.686 1.00 0.64 H new ATOM 0 HA PHE A 51 12.000 -3.180 -8.310 1.00 0.68 H new ATOM 0 HB2 PHE A 51 12.354 -0.162 -8.097 1.00 0.87 H new ATOM 0 HB3 PHE A 51 13.338 -1.373 -7.300 1.00 0.87 H new ATOM 0 HD1 PHE A 51 14.868 -2.824 -8.657 1.00 1.39 H new ATOM 0 HD2 PHE A 51 12.707 0.394 -10.415 1.00 1.16 H new ATOM 0 HE1 PHE A 51 16.389 -2.852 -10.585 1.00 1.59 H new ATOM 0 HE2 PHE A 51 14.228 0.364 -12.341 1.00 1.37 H new ATOM 0 HZ PHE A 51 15.980 -1.368 -12.492 1.00 1.52 H new ATOM 765 N ILE A 52 9.790 -1.100 -7.090 1.00 0.46 N ATOM 766 CA ILE A 52 8.858 -0.858 -6.004 1.00 0.39 C ATOM 767 C ILE A 52 7.458 -1.089 -6.550 1.00 0.37 C ATOM 768 O ILE A 52 6.979 -0.281 -7.339 1.00 0.43 O ATOM 769 CB ILE A 52 8.964 0.621 -5.523 1.00 0.41 C ATOM 770 CG1 ILE A 52 10.413 0.967 -5.137 1.00 0.46 C ATOM 771 CG2 ILE A 52 8.015 0.882 -4.354 1.00 0.41 C ATOM 772 CD1 ILE A 52 10.628 2.428 -4.784 1.00 0.50 C ATOM 0 H ILE A 52 9.676 -0.466 -7.881 1.00 0.46 H new ATOM 0 HA ILE A 52 9.079 -1.519 -5.166 1.00 0.39 H new ATOM 0 HB ILE A 52 8.669 1.267 -6.350 1.00 0.41 H new ATOM 0 HG12 ILE A 52 10.708 0.352 -4.287 1.00 0.46 H new ATOM 0 HG13 ILE A 52 11.071 0.704 -5.965 1.00 0.46 H new ATOM 0 HG21 ILE A 52 8.107 1.920 -4.036 1.00 0.41 H new ATOM 0 HG22 ILE A 52 6.989 0.688 -4.668 1.00 0.41 H new ATOM 0 HG23 ILE A 52 8.271 0.224 -3.524 1.00 0.41 H new ATOM 0 HD11 ILE A 52 11.674 2.589 -4.524 1.00 0.50 H new ATOM 0 HD12 ILE A 52 10.366 3.051 -5.639 1.00 0.50 H new ATOM 0 HD13 ILE A 52 9.998 2.694 -3.935 1.00 0.50 H new ATOM 784 N PHE A 53 6.803 -2.166 -6.160 1.00 0.33 N ATOM 785 CA PHE A 53 5.517 -2.469 -6.752 1.00 0.37 C ATOM 786 C PHE A 53 4.473 -2.879 -5.699 1.00 0.31 C ATOM 787 O PHE A 53 4.773 -3.614 -4.748 1.00 0.29 O ATOM 788 CB PHE A 53 5.697 -3.559 -7.825 1.00 0.48 C ATOM 789 CG PHE A 53 4.469 -3.825 -8.639 1.00 1.06 C ATOM 790 CD1 PHE A 53 4.037 -2.922 -9.578 1.00 1.95 C ATOM 791 CD2 PHE A 53 3.756 -4.993 -8.463 1.00 1.15 C ATOM 792 CE1 PHE A 53 2.918 -3.175 -10.332 1.00 2.87 C ATOM 793 CE2 PHE A 53 2.633 -5.255 -9.212 1.00 2.02 C ATOM 794 CZ PHE A 53 2.190 -4.292 -10.134 1.00 2.89 C ATOM 0 H PHE A 53 7.129 -2.828 -5.456 1.00 0.33 H new ATOM 0 HA PHE A 53 5.131 -1.564 -7.221 1.00 0.37 H new ATOM 0 HB2 PHE A 53 6.506 -3.265 -8.494 1.00 0.48 H new ATOM 0 HB3 PHE A 53 6.005 -4.485 -7.339 1.00 0.48 H new ATOM 0 HD1 PHE A 53 4.583 -2.002 -9.725 1.00 1.95 H new ATOM 0 HD2 PHE A 53 4.084 -5.712 -7.727 1.00 1.15 H new ATOM 0 HE1 PHE A 53 2.617 -2.470 -11.093 1.00 2.87 H new ATOM 0 HE2 PHE A 53 2.100 -6.187 -9.093 1.00 2.02 H new ATOM 0 HZ PHE A 53 1.272 -4.446 -10.681 1.00 2.89 H new ATOM 804 N THR A 54 3.266 -2.368 -5.861 1.00 0.35 N ATOM 805 CA THR A 54 2.156 -2.682 -4.988 1.00 0.35 C ATOM 806 C THR A 54 1.523 -4.028 -5.396 1.00 0.35 C ATOM 807 O THR A 54 0.905 -4.140 -6.454 1.00 0.40 O ATOM 808 CB THR A 54 1.086 -1.563 -5.063 1.00 0.39 C ATOM 809 OG1 THR A 54 1.707 -0.290 -4.832 1.00 0.43 O ATOM 810 CG2 THR A 54 0.005 -1.775 -4.013 1.00 0.44 C ATOM 0 H THR A 54 3.029 -1.718 -6.610 1.00 0.35 H new ATOM 0 HA THR A 54 2.528 -2.756 -3.966 1.00 0.35 H new ATOM 0 HB THR A 54 0.632 -1.591 -6.053 1.00 0.39 H new ATOM 0 HG1 THR A 54 1.031 0.418 -4.881 1.00 0.43 H new ATOM 0 HG21 THR A 54 -0.734 -0.977 -4.086 1.00 0.44 H new ATOM 0 HG22 THR A 54 -0.481 -2.736 -4.180 1.00 0.44 H new ATOM 0 HG23 THR A 54 0.455 -1.764 -3.020 1.00 0.44 H new ATOM 818 N GLU A 55 1.687 -5.024 -4.557 1.00 0.36 N ATOM 819 CA GLU A 55 1.170 -6.352 -4.806 1.00 0.42 C ATOM 820 C GLU A 55 -0.077 -6.614 -3.984 1.00 0.44 C ATOM 821 O GLU A 55 -0.022 -6.723 -2.749 1.00 0.57 O ATOM 822 CB GLU A 55 2.248 -7.395 -4.503 1.00 0.60 C ATOM 823 CG GLU A 55 3.374 -7.421 -5.519 1.00 1.21 C ATOM 824 CD GLU A 55 2.963 -8.066 -6.832 1.00 1.38 C ATOM 825 OE1 GLU A 55 1.845 -7.784 -7.316 1.00 1.67 O ATOM 826 OE2 GLU A 55 3.754 -8.814 -7.441 1.00 2.04 O ATOM 0 H GLU A 55 2.188 -4.936 -3.673 1.00 0.36 H new ATOM 0 HA GLU A 55 0.894 -6.425 -5.858 1.00 0.42 H new ATOM 0 HB2 GLU A 55 2.666 -7.197 -3.516 1.00 0.60 H new ATOM 0 HB3 GLU A 55 1.785 -8.381 -4.461 1.00 0.60 H new ATOM 0 HG2 GLU A 55 3.710 -6.402 -5.709 1.00 1.21 H new ATOM 0 HG3 GLU A 55 4.222 -7.964 -5.102 1.00 1.21 H new ATOM 833 N PHE A 56 -1.192 -6.710 -4.654 1.00 0.52 N ATOM 834 CA PHE A 56 -2.467 -6.961 -4.013 1.00 0.62 C ATOM 835 C PHE A 56 -2.648 -8.450 -3.795 1.00 0.73 C ATOM 836 O PHE A 56 -2.240 -9.259 -4.631 1.00 0.87 O ATOM 837 CB PHE A 56 -3.616 -6.403 -4.861 1.00 0.68 C ATOM 838 CG PHE A 56 -3.586 -4.909 -5.011 1.00 0.63 C ATOM 839 CD1 PHE A 56 -4.228 -4.083 -4.099 1.00 0.69 C ATOM 840 CD2 PHE A 56 -2.918 -4.334 -6.066 1.00 0.61 C ATOM 841 CE1 PHE A 56 -4.197 -2.708 -4.248 1.00 0.69 C ATOM 842 CE2 PHE A 56 -2.882 -2.970 -6.220 1.00 0.59 C ATOM 843 CZ PHE A 56 -3.544 -2.144 -5.260 1.00 0.61 C ATOM 0 H PHE A 56 -1.249 -6.617 -5.668 1.00 0.52 H new ATOM 0 HA PHE A 56 -2.480 -6.456 -3.047 1.00 0.62 H new ATOM 0 HB2 PHE A 56 -3.580 -6.859 -5.850 1.00 0.68 H new ATOM 0 HB3 PHE A 56 -4.564 -6.695 -4.409 1.00 0.68 H new ATOM 0 HD1 PHE A 56 -4.757 -4.518 -3.264 1.00 0.69 H new ATOM 0 HD2 PHE A 56 -2.414 -4.964 -6.784 1.00 0.61 H new ATOM 0 HE1 PHE A 56 -4.711 -2.083 -3.532 1.00 0.69 H new ATOM 0 HE2 PHE A 56 -2.360 -2.527 -7.056 1.00 0.59 H new ATOM 0 HZ PHE A 56 -3.514 -1.069 -5.356 1.00 0.61 H new ATOM 853 N LEU A 57 -3.221 -8.821 -2.686 1.00 0.77 N ATOM 854 CA LEU A 57 -3.415 -10.218 -2.389 1.00 0.93 C ATOM 855 C LEU A 57 -4.906 -10.472 -2.251 1.00 1.04 C ATOM 856 O LEU A 57 -5.686 -9.525 -2.079 1.00 1.04 O ATOM 857 CB LEU A 57 -2.594 -10.621 -1.127 1.00 1.01 C ATOM 858 CG LEU A 57 -3.011 -10.048 0.232 1.00 0.99 C ATOM 859 CD1 LEU A 57 -4.137 -10.861 0.836 1.00 1.25 C ATOM 860 CD2 LEU A 57 -1.829 -9.989 1.176 1.00 1.16 C ATOM 0 H LEU A 57 -3.563 -8.179 -1.971 1.00 0.77 H new ATOM 0 HA LEU A 57 -3.043 -10.849 -3.196 1.00 0.93 H new ATOM 0 HB2 LEU A 57 -2.618 -11.708 -1.050 1.00 1.01 H new ATOM 0 HB3 LEU A 57 -1.556 -10.337 -1.302 1.00 1.01 H new ATOM 0 HG LEU A 57 -3.372 -9.032 0.074 1.00 0.99 H new ATOM 0 HD11 LEU A 57 -4.416 -10.436 1.800 1.00 1.25 H new ATOM 0 HD12 LEU A 57 -4.998 -10.842 0.168 1.00 1.25 H new ATOM 0 HD13 LEU A 57 -3.808 -11.891 0.975 1.00 1.25 H new ATOM 0 HD21 LEU A 57 -2.149 -9.579 2.134 1.00 1.16 H new ATOM 0 HD22 LEU A 57 -1.432 -10.993 1.325 1.00 1.16 H new ATOM 0 HD23 LEU A 57 -1.054 -9.352 0.749 1.00 1.16 H new ATOM 872 N GLU A 58 -5.299 -11.708 -2.370 1.00 1.18 N ATOM 873 CA GLU A 58 -6.695 -12.084 -2.333 1.00 1.31 C ATOM 874 C GLU A 58 -7.278 -12.102 -0.928 1.00 1.24 C ATOM 875 O GLU A 58 -6.807 -12.843 -0.056 1.00 1.32 O ATOM 876 CB GLU A 58 -6.891 -13.423 -3.005 1.00 1.61 C ATOM 877 CG GLU A 58 -6.744 -13.368 -4.514 1.00 2.01 C ATOM 878 CD GLU A 58 -7.819 -12.513 -5.155 1.00 2.65 C ATOM 879 OE1 GLU A 58 -7.589 -11.307 -5.394 1.00 3.36 O ATOM 880 OE2 GLU A 58 -8.922 -13.033 -5.411 1.00 2.90 O ATOM 0 H GLU A 58 -4.660 -12.493 -2.497 1.00 1.18 H new ATOM 0 HA GLU A 58 -7.240 -11.315 -2.880 1.00 1.31 H new ATOM 0 HB2 GLU A 58 -6.168 -14.132 -2.603 1.00 1.61 H new ATOM 0 HB3 GLU A 58 -7.882 -13.804 -2.758 1.00 1.61 H new ATOM 0 HG2 GLU A 58 -5.762 -12.969 -4.769 1.00 2.01 H new ATOM 0 HG3 GLU A 58 -6.793 -14.378 -4.921 1.00 2.01 H new ATOM 887 N PRO A 59 -8.297 -11.270 -0.692 1.00 1.21 N ATOM 888 CA PRO A 59 -9.027 -11.233 0.563 1.00 1.25 C ATOM 889 C PRO A 59 -10.143 -12.275 0.527 1.00 1.26 C ATOM 890 O PRO A 59 -10.394 -12.902 -0.530 1.00 1.35 O ATOM 891 CB PRO A 59 -9.617 -9.820 0.552 1.00 1.37 C ATOM 892 CG PRO A 59 -9.889 -9.534 -0.882 1.00 1.39 C ATOM 893 CD PRO A 59 -8.838 -10.278 -1.666 1.00 1.30 C ATOM 0 HA PRO A 59 -8.422 -11.445 1.445 1.00 1.25 H new ATOM 0 HB2 PRO A 59 -10.529 -9.768 1.146 1.00 1.37 H new ATOM 0 HB3 PRO A 59 -8.920 -9.097 0.974 1.00 1.37 H new ATOM 0 HG2 PRO A 59 -10.890 -9.864 -1.162 1.00 1.39 H new ATOM 0 HG3 PRO A 59 -9.839 -8.464 -1.082 1.00 1.39 H new ATOM 0 HD2 PRO A 59 -9.265 -10.769 -2.540 1.00 1.30 H new ATOM 0 HD3 PRO A 59 -8.059 -9.606 -2.026 1.00 1.30 H new ATOM 901 N ALA A 60 -10.764 -12.510 1.642 1.00 1.29 N ATOM 902 CA ALA A 60 -11.864 -13.425 1.691 1.00 1.40 C ATOM 903 C ALA A 60 -13.089 -12.687 1.174 1.00 1.40 C ATOM 904 O ALA A 60 -13.236 -11.495 1.408 1.00 1.33 O ATOM 905 CB ALA A 60 -12.061 -13.938 3.104 1.00 1.53 C ATOM 0 H ALA A 60 -10.527 -12.078 2.535 1.00 1.29 H new ATOM 0 HA ALA A 60 -11.678 -14.301 1.069 1.00 1.40 H new ATOM 0 HB1 ALA A 60 -12.901 -14.633 3.125 1.00 1.53 H new ATOM 0 HB2 ALA A 60 -11.158 -14.451 3.434 1.00 1.53 H new ATOM 0 HB3 ALA A 60 -12.266 -13.100 3.770 1.00 1.53 H new ATOM 911 N ALA A 61 -13.932 -13.399 0.447 1.00 1.55 N ATOM 912 CA ALA A 61 -15.069 -12.834 -0.301 1.00 1.65 C ATOM 913 C ALA A 61 -16.046 -11.978 0.518 1.00 1.59 C ATOM 914 O ALA A 61 -16.752 -11.135 -0.050 1.00 1.70 O ATOM 915 CB ALA A 61 -15.808 -13.930 -1.049 1.00 1.91 C ATOM 0 H ALA A 61 -13.853 -14.411 0.350 1.00 1.55 H new ATOM 0 HA ALA A 61 -14.619 -12.133 -1.004 1.00 1.65 H new ATOM 0 HB1 ALA A 61 -16.645 -13.496 -1.596 1.00 1.91 H new ATOM 0 HB2 ALA A 61 -15.128 -14.414 -1.750 1.00 1.91 H new ATOM 0 HB3 ALA A 61 -16.182 -14.667 -0.338 1.00 1.91 H new ATOM 921 N ASN A 62 -16.107 -12.169 1.818 1.00 1.52 N ATOM 922 CA ASN A 62 -17.027 -11.365 2.625 1.00 1.56 C ATOM 923 C ASN A 62 -16.316 -10.129 3.195 1.00 1.33 C ATOM 924 O ASN A 62 -16.951 -9.212 3.712 1.00 1.40 O ATOM 925 CB ASN A 62 -17.703 -12.211 3.733 1.00 1.82 C ATOM 926 CG ASN A 62 -18.795 -11.468 4.499 1.00 2.72 C ATOM 927 OD1 ASN A 62 -18.543 -10.840 5.519 1.00 3.49 O ATOM 928 ND2 ASN A 62 -20.011 -11.542 4.018 1.00 3.19 N ATOM 0 H ASN A 62 -15.552 -12.851 2.336 1.00 1.52 H new ATOM 0 HA ASN A 62 -17.825 -11.011 1.973 1.00 1.56 H new ATOM 0 HB2 ASN A 62 -18.133 -13.105 3.282 1.00 1.82 H new ATOM 0 HB3 ASN A 62 -16.941 -12.544 4.438 1.00 1.82 H new ATOM 0 HD21 ASN A 62 -20.778 -11.069 4.496 1.00 3.19 H new ATOM 0 HD22 ASN A 62 -20.191 -12.073 3.166 1.00 3.19 H new ATOM 935 N GLU A 63 -14.999 -10.083 3.061 1.00 1.20 N ATOM 936 CA GLU A 63 -14.244 -8.944 3.540 1.00 1.07 C ATOM 937 C GLU A 63 -14.400 -7.772 2.600 1.00 0.90 C ATOM 938 O GLU A 63 -14.127 -7.876 1.400 1.00 0.97 O ATOM 939 CB GLU A 63 -12.738 -9.230 3.667 1.00 1.16 C ATOM 940 CG GLU A 63 -12.330 -10.267 4.686 1.00 1.31 C ATOM 941 CD GLU A 63 -10.821 -10.409 4.756 1.00 1.42 C ATOM 942 OE1 GLU A 63 -10.186 -9.833 5.673 1.00 1.48 O ATOM 943 OE2 GLU A 63 -10.228 -11.055 3.875 1.00 1.89 O ATOM 0 H GLU A 63 -14.438 -10.817 2.628 1.00 1.20 H new ATOM 0 HA GLU A 63 -14.646 -8.721 4.528 1.00 1.07 H new ATOM 0 HB2 GLU A 63 -12.368 -9.547 2.692 1.00 1.16 H new ATOM 0 HB3 GLU A 63 -12.233 -8.295 3.911 1.00 1.16 H new ATOM 0 HG2 GLU A 63 -12.717 -9.988 5.666 1.00 1.31 H new ATOM 0 HG3 GLU A 63 -12.776 -11.228 4.429 1.00 1.31 H new ATOM 950 N THR A 64 -14.801 -6.659 3.138 1.00 0.80 N ATOM 951 CA THR A 64 -14.834 -5.422 2.409 1.00 0.74 C ATOM 952 C THR A 64 -13.541 -4.655 2.701 1.00 0.59 C ATOM 953 O THR A 64 -13.484 -3.421 2.730 1.00 0.61 O ATOM 954 CB THR A 64 -16.082 -4.606 2.784 1.00 0.90 C ATOM 955 OG1 THR A 64 -16.371 -4.793 4.183 1.00 1.30 O ATOM 956 CG2 THR A 64 -17.279 -5.030 1.943 1.00 1.15 C ATOM 0 H THR A 64 -15.118 -6.581 4.104 1.00 0.80 H new ATOM 0 HA THR A 64 -14.897 -5.616 1.338 1.00 0.74 H new ATOM 0 HB THR A 64 -15.886 -3.552 2.588 1.00 0.90 H new ATOM 0 HG1 THR A 64 -16.853 -5.637 4.307 1.00 1.30 H new ATOM 0 HG21 THR A 64 -18.150 -4.439 2.226 1.00 1.15 H new ATOM 0 HG22 THR A 64 -17.058 -4.868 0.888 1.00 1.15 H new ATOM 0 HG23 THR A 64 -17.487 -6.087 2.112 1.00 1.15 H new ATOM 964 N VAL A 65 -12.506 -5.432 2.942 1.00 0.53 N ATOM 965 CA VAL A 65 -11.203 -4.945 3.230 1.00 0.45 C ATOM 966 C VAL A 65 -10.296 -5.399 2.114 1.00 0.42 C ATOM 967 O VAL A 65 -10.381 -6.547 1.669 1.00 0.49 O ATOM 968 CB VAL A 65 -10.657 -5.515 4.573 1.00 0.52 C ATOM 969 CG1 VAL A 65 -9.327 -4.883 4.950 1.00 0.50 C ATOM 970 CG2 VAL A 65 -11.666 -5.377 5.698 1.00 0.61 C ATOM 0 H VAL A 65 -12.566 -6.450 2.939 1.00 0.53 H new ATOM 0 HA VAL A 65 -11.240 -3.859 3.317 1.00 0.45 H new ATOM 0 HB VAL A 65 -10.486 -6.580 4.418 1.00 0.52 H new ATOM 0 HG11 VAL A 65 -8.978 -5.305 5.892 1.00 0.50 H new ATOM 0 HG12 VAL A 65 -8.594 -5.084 4.168 1.00 0.50 H new ATOM 0 HG13 VAL A 65 -9.454 -3.806 5.060 1.00 0.50 H new ATOM 0 HG21 VAL A 65 -11.245 -5.787 6.616 1.00 0.61 H new ATOM 0 HG22 VAL A 65 -11.904 -4.324 5.846 1.00 0.61 H new ATOM 0 HG23 VAL A 65 -12.575 -5.921 5.441 1.00 0.61 H new ATOM 980 N ARG A 66 -9.480 -4.528 1.644 1.00 0.37 N ATOM 981 CA ARG A 66 -8.535 -4.855 0.629 1.00 0.36 C ATOM 982 C ARG A 66 -7.203 -5.088 1.310 1.00 0.34 C ATOM 983 O ARG A 66 -6.702 -4.214 2.033 1.00 0.41 O ATOM 984 CB ARG A 66 -8.423 -3.712 -0.359 1.00 0.42 C ATOM 985 CG ARG A 66 -7.494 -3.973 -1.525 1.00 1.13 C ATOM 986 CD ARG A 66 -7.250 -2.702 -2.315 1.00 1.10 C ATOM 987 NE ARG A 66 -8.473 -2.113 -2.861 1.00 0.82 N ATOM 988 CZ ARG A 66 -8.511 -1.038 -3.660 1.00 1.15 C ATOM 989 NH1 ARG A 66 -7.384 -0.464 -4.060 1.00 1.61 N ATOM 990 NH2 ARG A 66 -9.671 -0.552 -4.069 1.00 1.84 N ATOM 0 H ARG A 66 -9.445 -3.557 1.953 1.00 0.37 H new ATOM 0 HA ARG A 66 -8.846 -5.745 0.082 1.00 0.36 H new ATOM 0 HB2 ARG A 66 -9.416 -3.486 -0.747 1.00 0.42 H new ATOM 0 HB3 ARG A 66 -8.078 -2.824 0.171 1.00 0.42 H new ATOM 0 HG2 ARG A 66 -6.546 -4.367 -1.159 1.00 1.13 H new ATOM 0 HG3 ARG A 66 -7.925 -4.734 -2.176 1.00 1.13 H new ATOM 0 HD2 ARG A 66 -6.760 -1.972 -1.671 1.00 1.10 H new ATOM 0 HD3 ARG A 66 -6.563 -2.918 -3.133 1.00 1.10 H new ATOM 0 HE ARG A 66 -9.360 -2.552 -2.616 1.00 0.82 H new ATOM 0 HH11 ARG A 66 -6.485 -0.841 -3.759 1.00 1.61 H new ATOM 0 HH12 ARG A 66 -7.416 0.354 -4.668 1.00 1.61 H new ATOM 0 HH21 ARG A 66 -10.542 -0.996 -3.776 1.00 1.84 H new ATOM 0 HH22 ARG A 66 -9.695 0.267 -4.677 1.00 1.84 H new ATOM 1004 N HIS A 67 -6.657 -6.251 1.122 1.00 0.35 N ATOM 1005 CA HIS A 67 -5.396 -6.597 1.736 1.00 0.39 C ATOM 1006 C HIS A 67 -4.337 -6.638 0.663 1.00 0.35 C ATOM 1007 O HIS A 67 -4.609 -7.073 -0.462 1.00 0.46 O ATOM 1008 CB HIS A 67 -5.463 -7.963 2.447 1.00 0.53 C ATOM 1009 CG HIS A 67 -6.442 -8.065 3.596 1.00 0.69 C ATOM 1010 ND1 HIS A 67 -6.066 -8.016 4.914 1.00 1.08 N ATOM 1011 CD2 HIS A 67 -7.781 -8.274 3.609 1.00 0.72 C ATOM 1012 CE1 HIS A 67 -7.118 -8.190 5.680 1.00 1.16 C ATOM 1013 NE2 HIS A 67 -8.172 -8.349 4.913 1.00 0.90 N ATOM 0 H HIS A 67 -7.063 -6.987 0.544 1.00 0.35 H new ATOM 0 HA HIS A 67 -5.157 -5.846 2.489 1.00 0.39 H new ATOM 0 HB2 HIS A 67 -5.720 -8.723 1.709 1.00 0.53 H new ATOM 0 HB3 HIS A 67 -4.468 -8.205 2.821 1.00 0.53 H new ATOM 0 HD2 HIS A 67 -8.421 -8.365 2.744 1.00 0.72 H new ATOM 0 HE1 HIS A 67 -7.117 -8.201 6.760 1.00 1.16 H new ATOM 0 HE2 HIS A 67 -9.126 -8.503 5.239 1.00 0.90 H new ATOM 1022 N GLY A 68 -3.171 -6.171 0.972 1.00 0.30 N ATOM 1023 CA GLY A 68 -2.115 -6.182 0.015 1.00 0.31 C ATOM 1024 C GLY A 68 -0.811 -5.854 0.656 1.00 0.24 C ATOM 1025 O GLY A 68 -0.755 -5.634 1.867 1.00 0.26 O ATOM 0 H GLY A 68 -2.926 -5.777 1.880 1.00 0.30 H new ATOM 0 HA2 GLY A 68 -2.056 -7.163 -0.456 1.00 0.31 H new ATOM 0 HA3 GLY A 68 -2.328 -5.462 -0.775 1.00 0.31 H new ATOM 1029 N CYS A 69 0.213 -5.783 -0.132 1.00 0.21 N ATOM 1030 CA CYS A 69 1.529 -5.507 0.356 1.00 0.20 C ATOM 1031 C CYS A 69 2.306 -4.674 -0.647 1.00 0.19 C ATOM 1032 O CYS A 69 2.274 -4.952 -1.846 1.00 0.22 O ATOM 1033 CB CYS A 69 2.257 -6.841 0.609 1.00 0.25 C ATOM 1034 SG CYS A 69 4.043 -6.698 0.943 1.00 0.36 S ATOM 0 H CYS A 69 0.161 -5.916 -1.142 1.00 0.21 H new ATOM 0 HA CYS A 69 1.457 -4.941 1.285 1.00 0.20 H new ATOM 0 HB2 CYS A 69 1.784 -7.340 1.455 1.00 0.25 H new ATOM 0 HB3 CYS A 69 2.116 -7.484 -0.260 1.00 0.25 H new ATOM 1039 N LEU A 70 2.950 -3.626 -0.181 1.00 0.20 N ATOM 1040 CA LEU A 70 3.877 -2.912 -1.023 1.00 0.22 C ATOM 1041 C LEU A 70 5.157 -3.693 -0.940 1.00 0.23 C ATOM 1042 O LEU A 70 5.778 -3.783 0.132 1.00 0.24 O ATOM 1043 CB LEU A 70 4.102 -1.459 -0.573 1.00 0.24 C ATOM 1044 CG LEU A 70 5.058 -0.625 -1.456 1.00 0.25 C ATOM 1045 CD1 LEU A 70 4.525 -0.493 -2.865 1.00 0.26 C ATOM 1046 CD2 LEU A 70 5.294 0.752 -0.864 1.00 0.28 C ATOM 0 H LEU A 70 2.849 -3.255 0.764 1.00 0.20 H new ATOM 0 HA LEU A 70 3.489 -2.835 -2.039 1.00 0.22 H new ATOM 0 HB2 LEU A 70 3.136 -0.955 -0.538 1.00 0.24 H new ATOM 0 HB3 LEU A 70 4.493 -1.469 0.444 1.00 0.24 H new ATOM 0 HG LEU A 70 6.009 -1.156 -1.491 1.00 0.25 H new ATOM 0 HD11 LEU A 70 5.219 0.099 -3.462 1.00 0.26 H new ATOM 0 HD12 LEU A 70 4.418 -1.483 -3.308 1.00 0.26 H new ATOM 0 HD13 LEU A 70 3.554 0.001 -2.842 1.00 0.26 H new ATOM 0 HD21 LEU A 70 5.970 1.314 -1.508 1.00 0.28 H new ATOM 0 HD22 LEU A 70 4.345 1.282 -0.785 1.00 0.28 H new ATOM 0 HD23 LEU A 70 5.737 0.651 0.127 1.00 0.28 H new ATOM 1058 N ARG A 71 5.515 -4.300 -2.012 1.00 0.30 N ATOM 1059 CA ARG A 71 6.615 -5.186 -2.015 1.00 0.35 C ATOM 1060 C ARG A 71 7.778 -4.564 -2.725 1.00 0.36 C ATOM 1061 O ARG A 71 7.684 -4.198 -3.907 1.00 0.42 O ATOM 1062 CB ARG A 71 6.222 -6.504 -2.687 1.00 0.51 C ATOM 1063 CG ARG A 71 7.326 -7.548 -2.717 1.00 1.20 C ATOM 1064 CD ARG A 71 6.895 -8.779 -3.494 1.00 1.20 C ATOM 1065 NE ARG A 71 5.765 -9.494 -2.870 1.00 1.43 N ATOM 1066 CZ ARG A 71 4.911 -10.307 -3.529 1.00 1.80 C ATOM 1067 NH1 ARG A 71 4.974 -10.419 -4.854 1.00 1.98 N ATOM 1068 NH2 ARG A 71 3.980 -10.972 -2.855 1.00 2.68 N ATOM 0 H ARG A 71 5.050 -4.195 -2.914 1.00 0.30 H new ATOM 0 HA ARG A 71 6.908 -5.391 -0.985 1.00 0.35 H new ATOM 0 HB2 ARG A 71 5.360 -6.920 -2.166 1.00 0.51 H new ATOM 0 HB3 ARG A 71 5.907 -6.296 -3.710 1.00 0.51 H new ATOM 0 HG2 ARG A 71 8.221 -7.122 -3.172 1.00 1.20 H new ATOM 0 HG3 ARG A 71 7.590 -7.832 -1.698 1.00 1.20 H new ATOM 0 HD2 ARG A 71 6.615 -8.483 -4.505 1.00 1.20 H new ATOM 0 HD3 ARG A 71 7.742 -9.459 -3.584 1.00 1.20 H new ATOM 0 HE ARG A 71 5.618 -9.365 -1.869 1.00 1.43 H new ATOM 0 HH11 ARG A 71 5.670 -9.889 -5.378 1.00 1.98 H new ATOM 0 HH12 ARG A 71 4.326 -11.035 -5.345 1.00 1.98 H new ATOM 0 HH21 ARG A 71 3.911 -10.868 -1.843 1.00 2.68 H new ATOM 0 HH22 ARG A 71 3.334 -11.587 -3.350 1.00 2.68 H new ATOM 1082 N LEU A 72 8.852 -4.395 -2.015 1.00 0.37 N ATOM 1083 CA LEU A 72 10.042 -3.946 -2.632 1.00 0.42 C ATOM 1084 C LEU A 72 10.682 -5.156 -3.273 1.00 0.44 C ATOM 1085 O LEU A 72 11.177 -6.067 -2.579 1.00 0.49 O ATOM 1086 CB LEU A 72 10.947 -3.324 -1.575 1.00 0.50 C ATOM 1087 CG LEU A 72 10.318 -2.148 -0.818 1.00 0.70 C ATOM 1088 CD1 LEU A 72 11.205 -1.682 0.305 1.00 1.23 C ATOM 1089 CD2 LEU A 72 10.039 -1.006 -1.755 1.00 0.61 C ATOM 0 H LEU A 72 8.919 -4.563 -1.011 1.00 0.37 H new ATOM 0 HA LEU A 72 9.854 -3.185 -3.389 1.00 0.42 H new ATOM 0 HB2 LEU A 72 11.229 -4.094 -0.857 1.00 0.50 H new ATOM 0 HB3 LEU A 72 11.865 -2.983 -2.054 1.00 0.50 H new ATOM 0 HG LEU A 72 9.378 -2.497 -0.390 1.00 0.70 H new ATOM 0 HD11 LEU A 72 10.730 -0.848 0.821 1.00 1.23 H new ATOM 0 HD12 LEU A 72 11.363 -2.501 1.007 1.00 1.23 H new ATOM 0 HD13 LEU A 72 12.165 -1.360 -0.099 1.00 1.23 H new ATOM 0 HD21 LEU A 72 9.593 -0.181 -1.200 1.00 0.61 H new ATOM 0 HD22 LEU A 72 10.971 -0.674 -2.212 1.00 0.61 H new ATOM 0 HD23 LEU A 72 9.350 -1.334 -2.533 1.00 0.61 H new ATOM 1101 N ASN A 73 10.621 -5.186 -4.589 1.00 0.56 N ATOM 1102 CA ASN A 73 11.162 -6.284 -5.371 1.00 0.72 C ATOM 1103 C ASN A 73 12.666 -6.238 -5.288 1.00 0.73 C ATOM 1104 O ASN A 73 13.323 -7.251 -5.049 1.00 0.87 O ATOM 1105 CB ASN A 73 10.673 -6.219 -6.831 1.00 0.90 C ATOM 1106 CG ASN A 73 11.118 -7.419 -7.656 1.00 1.41 C ATOM 1107 OD1 ASN A 73 10.448 -8.454 -7.672 1.00 2.18 O ATOM 1108 ND2 ASN A 73 12.192 -7.284 -8.381 1.00 1.84 N ATOM 0 H ASN A 73 10.194 -4.449 -5.150 1.00 0.56 H new ATOM 0 HA ASN A 73 10.809 -7.232 -4.966 1.00 0.72 H new ATOM 0 HB2 ASN A 73 9.585 -6.159 -6.843 1.00 0.90 H new ATOM 0 HB3 ASN A 73 11.047 -5.306 -7.294 1.00 0.90 H new ATOM 0 HD21 ASN A 73 12.500 -8.047 -8.984 1.00 1.84 H new ATOM 0 HD22 ASN A 73 12.725 -6.415 -8.346 1.00 1.84 H new ATOM 1115 N GLN A 74 13.202 -5.055 -5.445 1.00 0.66 N ATOM 1116 CA GLN A 74 14.592 -4.832 -5.246 1.00 0.72 C ATOM 1117 C GLN A 74 14.713 -3.634 -4.322 1.00 0.66 C ATOM 1118 O GLN A 74 14.514 -2.495 -4.751 1.00 0.69 O ATOM 1119 CB GLN A 74 15.294 -4.537 -6.558 1.00 0.86 C ATOM 1120 CG GLN A 74 16.806 -4.492 -6.432 1.00 1.58 C ATOM 1121 CD GLN A 74 17.483 -4.073 -7.709 1.00 2.11 C ATOM 1122 OE1 GLN A 74 17.796 -4.899 -8.558 1.00 2.82 O ATOM 1123 NE2 GLN A 74 17.730 -2.801 -7.849 1.00 2.58 N ATOM 0 H GLN A 74 12.677 -4.224 -5.715 1.00 0.66 H new ATOM 0 HA GLN A 74 15.059 -5.720 -4.821 1.00 0.72 H new ATOM 0 HB2 GLN A 74 15.020 -5.298 -7.288 1.00 0.86 H new ATOM 0 HB3 GLN A 74 14.940 -3.582 -6.945 1.00 0.86 H new ATOM 0 HG2 GLN A 74 17.080 -3.799 -5.636 1.00 1.58 H new ATOM 0 HG3 GLN A 74 17.171 -5.476 -6.138 1.00 1.58 H new ATOM 0 HE21 GLN A 74 17.453 -2.144 -7.119 1.00 2.58 H new ATOM 0 HE22 GLN A 74 18.200 -2.462 -8.689 1.00 2.58 H new ATOM 1132 N PRO A 75 14.972 -3.870 -3.040 1.00 0.75 N ATOM 1133 CA PRO A 75 15.118 -2.800 -2.065 1.00 0.84 C ATOM 1134 C PRO A 75 16.386 -1.998 -2.311 1.00 0.81 C ATOM 1135 O PRO A 75 17.473 -2.558 -2.498 1.00 0.83 O ATOM 1136 CB PRO A 75 15.182 -3.536 -0.722 1.00 1.06 C ATOM 1137 CG PRO A 75 14.707 -4.916 -1.020 1.00 1.25 C ATOM 1138 CD PRO A 75 15.127 -5.185 -2.421 1.00 0.93 C ATOM 0 HA PRO A 75 14.303 -2.077 -2.111 1.00 0.84 H new ATOM 0 HB2 PRO A 75 16.197 -3.544 -0.324 1.00 1.06 H new ATOM 0 HB3 PRO A 75 14.551 -3.053 0.024 1.00 1.06 H new ATOM 0 HG2 PRO A 75 15.146 -5.639 -0.333 1.00 1.25 H new ATOM 0 HG3 PRO A 75 13.625 -4.991 -0.913 1.00 1.25 H new ATOM 0 HD2 PRO A 75 16.154 -5.544 -2.477 1.00 0.93 H new ATOM 0 HD3 PRO A 75 14.499 -5.938 -2.898 1.00 0.93 H new ATOM 1146 N THR A 76 16.233 -0.712 -2.336 1.00 0.86 N ATOM 1147 CA THR A 76 17.301 0.205 -2.610 1.00 0.90 C ATOM 1148 C THR A 76 17.340 1.268 -1.508 1.00 0.84 C ATOM 1149 O THR A 76 16.418 1.368 -0.699 1.00 0.79 O ATOM 1150 CB THR A 76 17.046 0.860 -3.982 1.00 1.07 C ATOM 1151 OG1 THR A 76 15.687 1.299 -4.041 1.00 1.17 O ATOM 1152 CG2 THR A 76 17.314 -0.119 -5.125 1.00 1.22 C ATOM 0 H THR A 76 15.338 -0.255 -2.162 1.00 0.86 H new ATOM 0 HA THR A 76 18.259 -0.314 -2.632 1.00 0.90 H new ATOM 0 HB THR A 76 17.726 1.705 -4.095 1.00 1.07 H new ATOM 0 HG1 THR A 76 15.537 1.789 -4.877 1.00 1.17 H new ATOM 0 HG21 THR A 76 17.125 0.374 -6.078 1.00 1.22 H new ATOM 0 HG22 THR A 76 18.352 -0.448 -5.086 1.00 1.22 H new ATOM 0 HG23 THR A 76 16.656 -0.982 -5.026 1.00 1.22 H new ATOM 1160 N HIS A 77 18.409 2.065 -1.478 1.00 0.92 N ATOM 1161 CA HIS A 77 18.619 3.073 -0.418 1.00 0.94 C ATOM 1162 C HIS A 77 17.630 4.235 -0.465 1.00 0.81 C ATOM 1163 O HIS A 77 17.715 5.134 0.336 1.00 0.85 O ATOM 1164 CB HIS A 77 20.097 3.539 -0.262 1.00 1.20 C ATOM 1165 CG HIS A 77 20.678 4.406 -1.349 1.00 1.36 C ATOM 1166 ND1 HIS A 77 21.534 3.935 -2.300 1.00 1.98 N ATOM 1167 CD2 HIS A 77 20.569 5.734 -1.578 1.00 1.62 C ATOM 1168 CE1 HIS A 77 21.928 4.919 -3.069 1.00 2.03 C ATOM 1169 NE2 HIS A 77 21.355 6.027 -2.658 1.00 1.72 N ATOM 0 H HIS A 77 19.151 2.037 -2.177 1.00 0.92 H new ATOM 0 HA HIS A 77 18.393 2.535 0.503 1.00 0.94 H new ATOM 0 HB2 HIS A 77 20.180 4.082 0.680 1.00 1.20 H new ATOM 0 HB3 HIS A 77 20.721 2.650 -0.173 1.00 1.20 H new ATOM 0 HD2 HIS A 77 19.972 6.434 -1.013 1.00 1.62 H new ATOM 0 HE1 HIS A 77 22.610 4.834 -3.902 1.00 2.03 H new ATOM 0 HE2 HIS A 77 21.476 6.950 -3.074 1.00 1.72 H new ATOM 1178 N VAL A 78 16.758 4.246 -1.464 1.00 0.83 N ATOM 1179 CA VAL A 78 15.694 5.252 -1.548 1.00 0.92 C ATOM 1180 C VAL A 78 14.477 4.802 -0.712 1.00 0.90 C ATOM 1181 O VAL A 78 13.552 5.565 -0.468 1.00 1.08 O ATOM 1182 CB VAL A 78 15.231 5.524 -3.014 1.00 1.15 C ATOM 1183 CG1 VAL A 78 16.378 6.019 -3.878 1.00 1.33 C ATOM 1184 CG2 VAL A 78 14.588 4.291 -3.637 1.00 1.14 C ATOM 0 H VAL A 78 16.762 3.572 -2.230 1.00 0.83 H new ATOM 0 HA VAL A 78 16.109 6.180 -1.155 1.00 0.92 H new ATOM 0 HB VAL A 78 14.478 6.310 -2.968 1.00 1.15 H new ATOM 0 HG11 VAL A 78 16.019 6.198 -4.892 1.00 1.33 H new ATOM 0 HG12 VAL A 78 16.772 6.947 -3.463 1.00 1.33 H new ATOM 0 HG13 VAL A 78 17.167 5.268 -3.900 1.00 1.33 H new ATOM 0 HG21 VAL A 78 14.278 4.518 -4.657 1.00 1.14 H new ATOM 0 HG22 VAL A 78 15.308 3.473 -3.650 1.00 1.14 H new ATOM 0 HG23 VAL A 78 13.717 3.999 -3.050 1.00 1.14 H new ATOM 1194 N ASN A 79 14.517 3.554 -0.273 1.00 0.78 N ATOM 1195 CA ASN A 79 13.421 2.897 0.457 1.00 0.90 C ATOM 1196 C ASN A 79 13.456 3.159 1.956 1.00 0.78 C ATOM 1197 O ASN A 79 13.053 2.308 2.754 1.00 0.96 O ATOM 1198 CB ASN A 79 13.402 1.387 0.178 1.00 1.13 C ATOM 1199 CG ASN A 79 13.069 1.036 -1.266 1.00 1.40 C ATOM 1200 OD1 ASN A 79 13.579 0.055 -1.810 1.00 2.19 O ATOM 1201 ND2 ASN A 79 12.184 1.783 -1.879 1.00 1.22 N ATOM 0 H ASN A 79 15.326 2.948 -0.412 1.00 0.78 H new ATOM 0 HA ASN A 79 12.499 3.342 0.082 1.00 0.90 H new ATOM 0 HB2 ASN A 79 14.376 0.968 0.429 1.00 1.13 H new ATOM 0 HB3 ASN A 79 12.672 0.914 0.835 1.00 1.13 H new ATOM 0 HD21 ASN A 79 11.900 1.558 -2.833 1.00 1.22 H new ATOM 0 HD22 ASN A 79 11.779 2.589 -1.403 1.00 1.22 H new ATOM 1208 N ASN A 80 13.997 4.276 2.348 1.00 0.64 N ATOM 1209 CA ASN A 80 14.072 4.610 3.753 1.00 0.59 C ATOM 1210 C ASN A 80 13.460 5.985 4.043 1.00 0.56 C ATOM 1211 O ASN A 80 14.079 7.033 3.836 1.00 0.88 O ATOM 1212 CB ASN A 80 15.515 4.450 4.304 1.00 0.72 C ATOM 1213 CG ASN A 80 16.552 5.381 3.691 1.00 1.05 C ATOM 1214 OD1 ASN A 80 16.404 5.880 2.585 1.00 1.96 O ATOM 1215 ND2 ASN A 80 17.622 5.579 4.382 1.00 1.43 N ATOM 0 H ASN A 80 14.394 4.975 1.720 1.00 0.64 H new ATOM 0 HA ASN A 80 13.461 3.891 4.299 1.00 0.59 H new ATOM 0 HB2 ASN A 80 15.495 4.614 5.381 1.00 0.72 H new ATOM 0 HB3 ASN A 80 15.835 3.420 4.144 1.00 0.72 H new ATOM 0 HD21 ASN A 80 18.370 6.164 4.008 1.00 1.43 H new ATOM 0 HD22 ASN A 80 17.721 5.151 5.303 1.00 1.43 H new ATOM 1222 N GLY A 81 12.233 5.966 4.506 1.00 0.46 N ATOM 1223 CA GLY A 81 11.526 7.181 4.805 1.00 0.49 C ATOM 1224 C GLY A 81 10.079 6.910 5.104 1.00 0.43 C ATOM 1225 O GLY A 81 9.714 5.777 5.433 1.00 0.40 O ATOM 0 H GLY A 81 11.703 5.113 4.684 1.00 0.46 H new ATOM 0 HA2 GLY A 81 11.990 7.674 5.659 1.00 0.49 H new ATOM 0 HA3 GLY A 81 11.603 7.866 3.961 1.00 0.49 H new ATOM 1229 N ASN A 82 9.259 7.912 4.957 1.00 0.45 N ATOM 1230 CA ASN A 82 7.850 7.830 5.305 1.00 0.44 C ATOM 1231 C ASN A 82 7.021 7.538 4.075 1.00 0.37 C ATOM 1232 O ASN A 82 6.834 8.414 3.216 1.00 0.46 O ATOM 1233 CB ASN A 82 7.357 9.153 5.927 1.00 0.56 C ATOM 1234 CG ASN A 82 8.106 9.567 7.184 1.00 1.27 C ATOM 1235 OD1 ASN A 82 9.138 10.235 7.107 1.00 2.23 O ATOM 1236 ND2 ASN A 82 7.595 9.214 8.332 1.00 1.65 N ATOM 0 H ASN A 82 9.542 8.821 4.590 1.00 0.45 H new ATOM 0 HA ASN A 82 7.737 7.025 6.031 1.00 0.44 H new ATOM 0 HB2 ASN A 82 7.448 9.946 5.185 1.00 0.56 H new ATOM 0 HB3 ASN A 82 6.297 9.058 6.164 1.00 0.56 H new ATOM 0 HD21 ASN A 82 8.052 9.492 9.201 1.00 1.65 H new ATOM 0 HD22 ASN A 82 6.739 8.660 8.360 1.00 1.65 H new ATOM 1243 N TYR A 83 6.552 6.323 3.970 1.00 0.29 N ATOM 1244 CA TYR A 83 5.667 5.941 2.904 1.00 0.27 C ATOM 1245 C TYR A 83 4.225 6.104 3.366 1.00 0.28 C ATOM 1246 O TYR A 83 3.737 5.346 4.208 1.00 0.47 O ATOM 1247 CB TYR A 83 5.936 4.497 2.420 1.00 0.34 C ATOM 1248 CG TYR A 83 7.225 4.325 1.620 1.00 0.38 C ATOM 1249 CD1 TYR A 83 7.382 4.869 0.343 1.00 0.60 C ATOM 1250 CD2 TYR A 83 8.288 3.616 2.156 1.00 0.49 C ATOM 1251 CE1 TYR A 83 8.571 4.703 -0.364 1.00 0.69 C ATOM 1252 CE2 TYR A 83 9.472 3.449 1.456 1.00 0.55 C ATOM 1253 CZ TYR A 83 9.554 4.029 0.108 1.00 0.60 C ATOM 1254 OH TYR A 83 10.797 3.816 -0.487 1.00 0.69 O ATOM 0 H TYR A 83 6.773 5.570 4.622 1.00 0.29 H new ATOM 0 HA TYR A 83 5.850 6.594 2.051 1.00 0.27 H new ATOM 0 HB2 TYR A 83 5.971 3.838 3.287 1.00 0.34 H new ATOM 0 HB3 TYR A 83 5.096 4.171 1.806 1.00 0.34 H new ATOM 0 HD1 TYR A 83 6.571 5.426 -0.102 1.00 0.60 H new ATOM 0 HD2 TYR A 83 8.192 3.184 3.141 1.00 0.49 H new ATOM 0 HE1 TYR A 83 8.667 5.156 -1.340 1.00 0.69 H new ATOM 0 HE2 TYR A 83 10.305 2.912 1.885 1.00 0.55 H new ATOM 0 HH TYR A 83 11.266 4.671 -0.579 1.00 0.69 H new ATOM 1264 N THR A 84 3.587 7.117 2.865 1.00 0.22 N ATOM 1265 CA THR A 84 2.226 7.423 3.195 1.00 0.23 C ATOM 1266 C THR A 84 1.287 6.770 2.182 1.00 0.22 C ATOM 1267 O THR A 84 1.518 6.851 0.979 1.00 0.26 O ATOM 1268 CB THR A 84 2.020 8.957 3.185 1.00 0.27 C ATOM 1269 OG1 THR A 84 2.992 9.575 4.052 1.00 0.34 O ATOM 1270 CG2 THR A 84 0.620 9.335 3.661 1.00 0.33 C ATOM 0 H THR A 84 4.005 7.769 2.201 1.00 0.22 H new ATOM 0 HA THR A 84 2.003 7.036 4.189 1.00 0.23 H new ATOM 0 HB THR A 84 2.143 9.308 2.160 1.00 0.27 H new ATOM 0 HG1 THR A 84 2.647 9.594 4.969 1.00 0.34 H new ATOM 0 HG21 THR A 84 0.509 10.419 3.642 1.00 0.33 H new ATOM 0 HG22 THR A 84 -0.122 8.883 3.003 1.00 0.33 H new ATOM 0 HG23 THR A 84 0.472 8.973 4.679 1.00 0.33 H new ATOM 1278 N LEU A 85 0.275 6.108 2.664 1.00 0.20 N ATOM 1279 CA LEU A 85 -0.707 5.506 1.811 1.00 0.19 C ATOM 1280 C LEU A 85 -1.967 6.347 1.833 1.00 0.18 C ATOM 1281 O LEU A 85 -2.568 6.554 2.897 1.00 0.19 O ATOM 1282 CB LEU A 85 -1.017 4.064 2.250 1.00 0.20 C ATOM 1283 CG LEU A 85 -2.013 3.296 1.378 1.00 0.20 C ATOM 1284 CD1 LEU A 85 -1.500 3.204 -0.024 1.00 0.21 C ATOM 1285 CD2 LEU A 85 -2.243 1.909 1.919 1.00 0.22 C ATOM 0 H LEU A 85 0.108 5.971 3.661 1.00 0.20 H new ATOM 0 HA LEU A 85 -0.312 5.463 0.796 1.00 0.19 H new ATOM 0 HB2 LEU A 85 -0.082 3.505 2.277 1.00 0.20 H new ATOM 0 HB3 LEU A 85 -1.402 4.091 3.269 1.00 0.20 H new ATOM 0 HG LEU A 85 -2.959 3.837 1.387 1.00 0.20 H new ATOM 0 HD11 LEU A 85 -2.215 2.656 -0.638 1.00 0.21 H new ATOM 0 HD12 LEU A 85 -1.368 4.207 -0.430 1.00 0.21 H new ATOM 0 HD13 LEU A 85 -0.543 2.682 -0.028 1.00 0.21 H new ATOM 0 HD21 LEU A 85 -2.954 1.383 1.282 1.00 0.22 H new ATOM 0 HD22 LEU A 85 -1.299 1.364 1.936 1.00 0.22 H new ATOM 0 HD23 LEU A 85 -2.642 1.975 2.931 1.00 0.22 H new ATOM 1297 N LEU A 86 -2.317 6.876 0.691 1.00 0.20 N ATOM 1298 CA LEU A 86 -3.518 7.654 0.538 1.00 0.22 C ATOM 1299 C LEU A 86 -4.545 6.806 -0.168 1.00 0.22 C ATOM 1300 O LEU A 86 -4.242 6.186 -1.197 1.00 0.27 O ATOM 1301 CB LEU A 86 -3.286 8.947 -0.302 1.00 0.28 C ATOM 1302 CG LEU A 86 -2.305 10.017 0.230 1.00 0.32 C ATOM 1303 CD1 LEU A 86 -2.621 10.417 1.661 1.00 0.36 C ATOM 1304 CD2 LEU A 86 -0.848 9.597 0.066 1.00 0.32 C ATOM 0 H LEU A 86 -1.773 6.779 -0.166 1.00 0.20 H new ATOM 0 HA LEU A 86 -3.851 7.956 1.531 1.00 0.22 H new ATOM 0 HB2 LEU A 86 -2.937 8.641 -1.288 1.00 0.28 H new ATOM 0 HB3 LEU A 86 -4.254 9.428 -0.441 1.00 0.28 H new ATOM 0 HG LEU A 86 -2.447 10.904 -0.388 1.00 0.32 H new ATOM 0 HD11 LEU A 86 -1.907 11.170 1.994 1.00 0.36 H new ATOM 0 HD12 LEU A 86 -3.630 10.826 1.710 1.00 0.36 H new ATOM 0 HD13 LEU A 86 -2.553 9.542 2.307 1.00 0.36 H new ATOM 0 HD21 LEU A 86 -0.198 10.381 0.454 1.00 0.32 H new ATOM 0 HD22 LEU A 86 -0.671 8.673 0.617 1.00 0.32 H new ATOM 0 HD23 LEU A 86 -0.632 9.436 -0.990 1.00 0.32 H new ATOM 1316 N ALA A 87 -5.721 6.740 0.382 1.00 0.21 N ATOM 1317 CA ALA A 87 -6.808 6.028 -0.240 1.00 0.23 C ATOM 1318 C ALA A 87 -7.962 6.962 -0.374 1.00 0.29 C ATOM 1319 O ALA A 87 -8.440 7.491 0.621 1.00 0.31 O ATOM 1320 CB ALA A 87 -7.215 4.830 0.596 1.00 0.24 C ATOM 0 H ALA A 87 -5.958 7.176 1.273 1.00 0.21 H new ATOM 0 HA ALA A 87 -6.493 5.666 -1.218 1.00 0.23 H new ATOM 0 HB1 ALA A 87 -8.037 4.308 0.107 1.00 0.24 H new ATOM 0 HB2 ALA A 87 -6.366 4.154 0.700 1.00 0.24 H new ATOM 0 HB3 ALA A 87 -7.534 5.166 1.582 1.00 0.24 H new ATOM 1326 N ALA A 88 -8.410 7.175 -1.573 1.00 0.36 N ATOM 1327 CA ALA A 88 -9.497 8.090 -1.799 1.00 0.45 C ATOM 1328 C ALA A 88 -10.649 7.417 -2.515 1.00 0.37 C ATOM 1329 O ALA A 88 -10.462 6.782 -3.567 1.00 0.37 O ATOM 1330 CB ALA A 88 -9.009 9.298 -2.576 1.00 0.61 C ATOM 0 H ALA A 88 -8.042 6.730 -2.414 1.00 0.36 H new ATOM 0 HA ALA A 88 -9.868 8.423 -0.829 1.00 0.45 H new ATOM 0 HB1 ALA A 88 -9.840 9.984 -2.742 1.00 0.61 H new ATOM 0 HB2 ALA A 88 -8.228 9.804 -2.009 1.00 0.61 H new ATOM 0 HB3 ALA A 88 -8.608 8.975 -3.537 1.00 0.61 H new ATOM 1336 N ASN A 89 -11.817 7.517 -1.931 1.00 0.49 N ATOM 1337 CA ASN A 89 -13.045 6.997 -2.512 1.00 0.58 C ATOM 1338 C ASN A 89 -14.118 8.071 -2.366 1.00 0.57 C ATOM 1339 O ASN A 89 -13.840 9.062 -1.694 1.00 0.55 O ATOM 1340 CB ASN A 89 -13.496 5.630 -1.860 1.00 0.86 C ATOM 1341 CG ASN A 89 -13.871 5.659 -0.369 1.00 0.59 C ATOM 1342 OD1 ASN A 89 -14.271 6.676 0.190 1.00 0.71 O ATOM 1343 ND2 ASN A 89 -13.843 4.509 0.248 1.00 1.18 N ATOM 0 H ASN A 89 -11.951 7.967 -1.026 1.00 0.49 H new ATOM 0 HA ASN A 89 -12.877 6.769 -3.565 1.00 0.58 H new ATOM 0 HB2 ASN A 89 -14.354 5.255 -2.418 1.00 0.86 H new ATOM 0 HB3 ASN A 89 -12.690 4.909 -1.993 1.00 0.86 H new ATOM 0 HD21 ASN A 89 -14.158 4.442 1.216 1.00 1.18 H new ATOM 0 HD22 ASN A 89 -13.506 3.678 -0.238 1.00 1.18 H new ATOM 1350 N PRO A 90 -15.315 7.955 -2.996 1.00 0.64 N ATOM 1351 CA PRO A 90 -16.412 8.951 -2.866 1.00 0.68 C ATOM 1352 C PRO A 90 -16.669 9.470 -1.423 1.00 0.56 C ATOM 1353 O PRO A 90 -17.027 10.638 -1.227 1.00 0.63 O ATOM 1354 CB PRO A 90 -17.652 8.184 -3.378 1.00 0.81 C ATOM 1355 CG PRO A 90 -17.171 6.806 -3.717 1.00 1.00 C ATOM 1356 CD PRO A 90 -15.704 6.928 -3.972 1.00 0.74 C ATOM 0 HA PRO A 90 -16.162 9.856 -3.420 1.00 0.68 H new ATOM 0 HB2 PRO A 90 -18.432 8.149 -2.617 1.00 0.81 H new ATOM 0 HB3 PRO A 90 -18.081 8.674 -4.252 1.00 0.81 H new ATOM 0 HG2 PRO A 90 -17.368 6.113 -2.899 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -17.688 6.418 -4.595 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -15.180 5.987 -3.806 1.00 0.74 H new ATOM 0 HD3 PRO A 90 -15.491 7.235 -4.996 1.00 0.74 H new ATOM 1364 N CYS A 91 -16.446 8.626 -0.425 1.00 0.50 N ATOM 1365 CA CYS A 91 -16.730 9.003 0.945 1.00 0.50 C ATOM 1366 C CYS A 91 -15.647 9.935 1.514 1.00 0.46 C ATOM 1367 O CYS A 91 -15.957 10.854 2.289 1.00 0.61 O ATOM 1368 CB CYS A 91 -16.924 7.768 1.841 1.00 0.61 C ATOM 1369 SG CYS A 91 -17.491 8.164 3.534 1.00 1.10 S ATOM 0 H CYS A 91 -16.072 7.684 -0.541 1.00 0.50 H new ATOM 0 HA CYS A 91 -17.669 9.557 0.936 1.00 0.50 H new ATOM 0 HB2 CYS A 91 -17.648 7.101 1.372 1.00 0.61 H new ATOM 0 HB3 CYS A 91 -15.982 7.223 1.902 1.00 0.61 H new ATOM 1374 N GLY A 92 -14.403 9.730 1.118 1.00 0.46 N ATOM 1375 CA GLY A 92 -13.334 10.565 1.608 1.00 0.58 C ATOM 1376 C GLY A 92 -11.979 9.977 1.317 1.00 0.49 C ATOM 1377 O GLY A 92 -11.860 9.040 0.503 1.00 0.59 O ATOM 0 H GLY A 92 -14.116 9.000 0.466 1.00 0.46 H new ATOM 0 HA2 GLY A 92 -13.406 11.552 1.151 1.00 0.58 H new ATOM 0 HA3 GLY A 92 -13.446 10.703 2.683 1.00 0.58 H new ATOM 1381 N GLN A 93 -10.965 10.517 1.955 1.00 0.46 N ATOM 1382 CA GLN A 93 -9.608 10.060 1.786 1.00 0.42 C ATOM 1383 C GLN A 93 -9.001 9.692 3.135 1.00 0.41 C ATOM 1384 O GLN A 93 -9.125 10.443 4.120 1.00 0.56 O ATOM 1385 CB GLN A 93 -8.745 11.130 1.093 1.00 0.53 C ATOM 1386 CG GLN A 93 -7.293 10.704 0.863 1.00 0.58 C ATOM 1387 CD GLN A 93 -6.445 11.795 0.254 1.00 0.92 C ATOM 1388 OE1 GLN A 93 -6.332 11.914 -0.967 1.00 1.57 O ATOM 1389 NE2 GLN A 93 -5.837 12.592 1.090 1.00 1.33 N ATOM 0 H GLN A 93 -11.062 11.292 2.611 1.00 0.46 H new ATOM 0 HA GLN A 93 -9.628 9.174 1.151 1.00 0.42 H new ATOM 0 HB2 GLN A 93 -9.196 11.380 0.133 1.00 0.53 H new ATOM 0 HB3 GLN A 93 -8.756 12.038 1.696 1.00 0.53 H new ATOM 0 HG2 GLN A 93 -6.855 10.400 1.814 1.00 0.58 H new ATOM 0 HG3 GLN A 93 -7.276 9.831 0.210 1.00 0.58 H new ATOM 0 HE21 GLN A 93 -5.954 12.463 2.095 1.00 1.33 H new ATOM 0 HE22 GLN A 93 -5.244 13.344 0.738 1.00 1.33 H new ATOM 1398 N ALA A 94 -8.374 8.552 3.181 1.00 0.30 N ATOM 1399 CA ALA A 94 -7.707 8.066 4.360 1.00 0.33 C ATOM 1400 C ALA A 94 -6.220 8.142 4.152 1.00 0.31 C ATOM 1401 O ALA A 94 -5.746 8.062 3.008 1.00 0.30 O ATOM 1402 CB ALA A 94 -8.102 6.640 4.626 1.00 0.37 C ATOM 0 H ALA A 94 -8.309 7.919 2.384 1.00 0.30 H new ATOM 0 HA ALA A 94 -7.995 8.679 5.214 1.00 0.33 H new ATOM 0 HB1 ALA A 94 -7.592 6.282 5.520 1.00 0.37 H new ATOM 0 HB2 ALA A 94 -9.180 6.583 4.776 1.00 0.37 H new ATOM 0 HB3 ALA A 94 -7.821 6.020 3.775 1.00 0.37 H new ATOM 1408 N SER A 95 -5.491 8.287 5.225 1.00 0.36 N ATOM 1409 CA SER A 95 -4.067 8.384 5.169 1.00 0.37 C ATOM 1410 C SER A 95 -3.419 7.641 6.332 1.00 0.38 C ATOM 1411 O SER A 95 -4.021 7.500 7.417 1.00 0.57 O ATOM 1412 CB SER A 95 -3.678 9.854 5.183 1.00 0.43 C ATOM 1413 OG SER A 95 -4.391 10.557 6.204 1.00 0.50 O ATOM 0 H SER A 95 -5.876 8.341 6.168 1.00 0.36 H new ATOM 0 HA SER A 95 -3.709 7.918 4.251 1.00 0.37 H new ATOM 0 HB2 SER A 95 -2.605 9.950 5.350 1.00 0.43 H new ATOM 0 HB3 SER A 95 -3.890 10.300 4.212 1.00 0.43 H new ATOM 0 HG SER A 95 -4.126 11.500 6.198 1.00 0.50 H new ATOM 1419 N ALA A 96 -2.244 7.122 6.085 1.00 0.27 N ATOM 1420 CA ALA A 96 -1.425 6.476 7.083 1.00 0.27 C ATOM 1421 C ALA A 96 -0.007 6.471 6.566 1.00 0.23 C ATOM 1422 O ALA A 96 0.192 6.351 5.358 1.00 0.26 O ATOM 1423 CB ALA A 96 -1.901 5.049 7.344 1.00 0.30 C ATOM 0 H ALA A 96 -1.817 7.137 5.159 1.00 0.27 H new ATOM 0 HA ALA A 96 -1.491 7.014 8.029 1.00 0.27 H new ATOM 0 HB1 ALA A 96 -1.266 4.586 8.100 1.00 0.30 H new ATOM 0 HB2 ALA A 96 -2.932 5.068 7.698 1.00 0.30 H new ATOM 0 HB3 ALA A 96 -1.845 4.472 6.421 1.00 0.30 H new ATOM 1429 N SER A 97 0.954 6.627 7.428 1.00 0.26 N ATOM 1430 CA SER A 97 2.337 6.622 7.022 1.00 0.28 C ATOM 1431 C SER A 97 3.098 5.529 7.734 1.00 0.25 C ATOM 1432 O SER A 97 2.915 5.305 8.936 1.00 0.38 O ATOM 1433 CB SER A 97 2.980 7.979 7.280 1.00 0.41 C ATOM 1434 OG SER A 97 2.307 9.007 6.565 1.00 1.26 O ATOM 0 H SER A 97 0.807 6.761 8.428 1.00 0.26 H new ATOM 0 HA SER A 97 2.376 6.424 5.951 1.00 0.28 H new ATOM 0 HB2 SER A 97 2.957 8.199 8.347 1.00 0.41 H new ATOM 0 HB3 SER A 97 4.028 7.951 6.983 1.00 0.41 H new ATOM 0 HG SER A 97 2.707 9.874 6.785 1.00 1.26 H new ATOM 1440 N ILE A 98 3.906 4.834 7.001 1.00 0.25 N ATOM 1441 CA ILE A 98 4.710 3.794 7.545 1.00 0.28 C ATOM 1442 C ILE A 98 6.163 4.077 7.157 1.00 0.28 C ATOM 1443 O ILE A 98 6.474 4.333 5.981 1.00 0.30 O ATOM 1444 CB ILE A 98 4.171 2.383 7.054 1.00 0.36 C ATOM 1445 CG1 ILE A 98 4.874 1.156 7.721 1.00 0.72 C ATOM 1446 CG2 ILE A 98 4.182 2.267 5.532 1.00 0.39 C ATOM 1447 CD1 ILE A 98 6.279 0.841 7.245 1.00 0.37 C ATOM 0 H ILE A 98 4.026 4.975 5.998 1.00 0.25 H new ATOM 0 HA ILE A 98 4.658 3.762 8.633 1.00 0.28 H new ATOM 0 HB ILE A 98 3.136 2.347 7.394 1.00 0.36 H new ATOM 0 HG12 ILE A 98 4.908 1.326 8.797 1.00 0.72 H new ATOM 0 HG13 ILE A 98 4.253 0.276 7.557 1.00 0.72 H new ATOM 0 HG21 ILE A 98 3.806 1.287 5.239 1.00 0.39 H new ATOM 0 HG22 ILE A 98 3.547 3.042 5.103 1.00 0.39 H new ATOM 0 HG23 ILE A 98 5.201 2.389 5.165 1.00 0.39 H new ATOM 0 HD11 ILE A 98 6.658 -0.029 7.781 1.00 0.37 H new ATOM 0 HD12 ILE A 98 6.262 0.630 6.176 1.00 0.37 H new ATOM 0 HD13 ILE A 98 6.928 1.696 7.436 1.00 0.37 H new ATOM 1459 N MET A 99 7.033 4.115 8.129 1.00 0.34 N ATOM 1460 CA MET A 99 8.414 4.378 7.854 1.00 0.41 C ATOM 1461 C MET A 99 9.169 3.095 7.661 1.00 0.40 C ATOM 1462 O MET A 99 9.449 2.368 8.621 1.00 0.51 O ATOM 1463 CB MET A 99 9.089 5.237 8.939 1.00 0.59 C ATOM 1464 CG MET A 99 10.593 5.430 8.694 1.00 0.85 C ATOM 1465 SD MET A 99 11.414 6.457 9.930 1.00 1.25 S ATOM 1466 CE MET A 99 10.688 8.059 9.577 1.00 1.18 C ATOM 0 H MET A 99 6.809 3.968 9.113 1.00 0.34 H new ATOM 0 HA MET A 99 8.441 4.956 6.930 1.00 0.41 H new ATOM 0 HB2 MET A 99 8.604 6.212 8.978 1.00 0.59 H new ATOM 0 HB3 MET A 99 8.941 4.768 9.912 1.00 0.59 H new ATOM 0 HG2 MET A 99 11.075 4.453 8.671 1.00 0.85 H new ATOM 0 HG3 MET A 99 10.736 5.879 7.711 1.00 0.85 H new ATOM 0 HE1 MET A 99 11.253 8.836 10.092 1.00 1.18 H new ATOM 0 HE2 MET A 99 10.715 8.242 8.503 1.00 1.18 H new ATOM 0 HE3 MET A 99 9.654 8.074 9.922 1.00 1.18 H new ATOM 1476 N ALA A 100 9.457 2.796 6.441 1.00 0.42 N ATOM 1477 CA ALA A 100 10.264 1.666 6.119 1.00 0.48 C ATOM 1478 C ALA A 100 11.669 2.175 5.968 1.00 0.48 C ATOM 1479 O ALA A 100 11.874 3.245 5.391 1.00 0.57 O ATOM 1480 CB ALA A 100 9.782 1.007 4.839 1.00 0.58 C ATOM 0 H ALA A 100 9.138 3.331 5.633 1.00 0.42 H new ATOM 0 HA ALA A 100 10.208 0.907 6.900 1.00 0.48 H new ATOM 0 HB1 ALA A 100 10.412 0.147 4.613 1.00 0.58 H new ATOM 0 HB2 ALA A 100 8.751 0.678 4.965 1.00 0.58 H new ATOM 0 HB3 ALA A 100 9.836 1.723 4.019 1.00 0.58 H new ATOM 1486 N ALA A 101 12.606 1.488 6.534 1.00 0.56 N ATOM 1487 CA ALA A 101 13.981 1.889 6.460 1.00 0.65 C ATOM 1488 C ALA A 101 14.823 0.703 6.091 1.00 0.66 C ATOM 1489 O ALA A 101 15.086 -0.156 6.920 1.00 0.77 O ATOM 1490 CB ALA A 101 14.428 2.474 7.790 1.00 0.84 C ATOM 0 H ALA A 101 12.444 0.631 7.063 1.00 0.56 H new ATOM 0 HA ALA A 101 14.097 2.658 5.696 1.00 0.65 H new ATOM 0 HB1 ALA A 101 15.473 2.775 7.722 1.00 0.84 H new ATOM 0 HB2 ALA A 101 13.815 3.343 8.030 1.00 0.84 H new ATOM 0 HB3 ALA A 101 14.316 1.724 8.573 1.00 0.84 H new ATOM 1496 N PHE A 102 15.200 0.648 4.828 1.00 0.75 N ATOM 1497 CA PHE A 102 16.020 -0.430 4.299 1.00 0.87 C ATOM 1498 C PHE A 102 17.432 -0.381 4.878 1.00 1.20 C ATOM 1499 O PHE A 102 17.803 -1.213 5.702 1.00 2.05 O ATOM 1500 CB PHE A 102 16.042 -0.370 2.752 1.00 0.97 C ATOM 1501 CG PHE A 102 16.991 -1.345 2.091 1.00 1.69 C ATOM 1502 CD1 PHE A 102 16.871 -2.707 2.315 1.00 2.20 C ATOM 1503 CD2 PHE A 102 17.984 -0.902 1.243 1.00 2.45 C ATOM 1504 CE1 PHE A 102 17.727 -3.603 1.708 1.00 3.25 C ATOM 1505 CE2 PHE A 102 18.845 -1.789 0.632 1.00 3.51 C ATOM 1506 CZ PHE A 102 18.749 -3.128 0.890 1.00 3.86 C ATOM 0 H PHE A 102 14.946 1.352 4.135 1.00 0.75 H new ATOM 0 HA PHE A 102 15.581 -1.381 4.599 1.00 0.87 H new ATOM 0 HB2 PHE A 102 15.034 -0.558 2.381 1.00 0.97 H new ATOM 0 HB3 PHE A 102 16.311 0.641 2.446 1.00 0.97 H new ATOM 0 HD1 PHE A 102 16.097 -3.072 2.974 1.00 2.20 H new ATOM 0 HD2 PHE A 102 18.089 0.156 1.054 1.00 2.45 H new ATOM 0 HE1 PHE A 102 17.605 -4.664 1.866 1.00 3.25 H new ATOM 0 HE2 PHE A 102 19.597 -1.425 -0.052 1.00 3.51 H new ATOM 0 HZ PHE A 102 19.463 -3.815 0.461 1.00 3.86 H new ATOM 1516 N MET A 103 18.190 0.599 4.458 1.00 1.13 N ATOM 1517 CA MET A 103 19.555 0.798 4.898 1.00 1.42 C ATOM 1518 C MET A 103 19.828 2.265 4.860 1.00 1.77 C ATOM 1519 O MET A 103 19.243 2.981 4.039 1.00 2.31 O ATOM 1520 CB MET A 103 20.572 0.082 3.974 1.00 1.94 C ATOM 1521 CG MET A 103 20.599 -1.437 4.068 1.00 2.66 C ATOM 1522 SD MET A 103 21.845 -2.178 2.987 1.00 3.68 S ATOM 1523 CE MET A 103 21.630 -3.916 3.385 1.00 4.72 C ATOM 0 H MET A 103 17.873 1.298 3.786 1.00 1.13 H new ATOM 0 HA MET A 103 19.667 0.383 5.900 1.00 1.42 H new ATOM 0 HB2 MET A 103 20.355 0.359 2.943 1.00 1.94 H new ATOM 0 HB3 MET A 103 21.569 0.459 4.202 1.00 1.94 H new ATOM 0 HG2 MET A 103 20.797 -1.730 5.099 1.00 2.66 H new ATOM 0 HG3 MET A 103 19.617 -1.831 3.808 1.00 2.66 H new ATOM 0 HE1 MET A 103 22.329 -4.513 2.799 1.00 4.72 H new ATOM 0 HE2 MET A 103 21.821 -4.072 4.447 1.00 4.72 H new ATOM 0 HE3 MET A 103 20.609 -4.219 3.151 1.00 4.72 H new ATOM 1533 N ASP A 104 20.676 2.710 5.751 1.00 2.30 N ATOM 1534 CA ASP A 104 21.079 4.094 5.811 1.00 3.13 C ATOM 1535 C ASP A 104 21.979 4.399 4.640 1.00 2.91 C ATOM 1536 O ASP A 104 22.963 3.684 4.400 1.00 2.44 O ATOM 1537 CB ASP A 104 21.769 4.401 7.140 1.00 4.12 C ATOM 1538 CG ASP A 104 22.368 5.788 7.194 1.00 4.81 C ATOM 1539 OD1 ASP A 104 23.610 5.922 7.237 1.00 5.16 O ATOM 1540 OD2 ASP A 104 21.604 6.772 7.143 1.00 5.33 O ATOM 0 H ASP A 104 21.110 2.120 6.461 1.00 2.30 H new ATOM 0 HA ASP A 104 20.197 4.732 5.752 1.00 3.13 H new ATOM 0 HB2 ASP A 104 21.048 4.292 7.950 1.00 4.12 H new ATOM 0 HB3 ASP A 104 22.555 3.666 7.312 1.00 4.12 H new ATOM 1545 N ASN A 105 21.633 5.426 3.916 1.00 3.53 N ATOM 1546 CA ASN A 105 22.307 5.782 2.685 1.00 3.62 C ATOM 1547 C ASN A 105 23.615 6.538 2.919 1.00 4.15 C ATOM 1548 O ASN A 105 23.629 7.611 3.538 1.00 4.99 O ATOM 1549 CB ASN A 105 21.354 6.566 1.748 1.00 4.36 C ATOM 1550 CG ASN A 105 20.790 7.846 2.346 1.00 4.74 C ATOM 1551 OD1 ASN A 105 19.771 7.813 3.050 1.00 4.89 O ATOM 1552 ND2 ASN A 105 21.387 8.968 2.031 1.00 5.34 N ATOM 0 H ASN A 105 20.866 6.052 4.162 1.00 3.53 H new ATOM 0 HA ASN A 105 22.585 4.850 2.193 1.00 3.62 H new ATOM 0 HB2 ASN A 105 21.889 6.814 0.831 1.00 4.36 H new ATOM 0 HB3 ASN A 105 20.525 5.916 1.467 1.00 4.36 H new ATOM 0 HD21 ASN A 105 21.015 9.856 2.368 1.00 5.34 H new ATOM 0 HD22 ASN A 105 22.224 8.954 1.449 1.00 5.34 H new ATOM 1559 N PRO A 106 24.749 5.945 2.493 1.00 3.83 N ATOM 1560 CA PRO A 106 26.049 6.606 2.547 1.00 4.48 C ATOM 1561 C PRO A 106 26.150 7.682 1.515 1.00 5.07 C ATOM 1562 O PRO A 106 26.119 7.379 0.305 1.00 4.97 O ATOM 1563 CB PRO A 106 27.023 5.522 2.130 1.00 4.12 C ATOM 1564 CG PRO A 106 26.295 4.244 2.271 1.00 3.35 C ATOM 1565 CD PRO A 106 24.868 4.567 1.995 1.00 3.04 C ATOM 0 HA PRO A 106 26.226 7.045 3.529 1.00 4.48 H new ATOM 0 HB2 PRO A 106 27.355 5.670 1.103 1.00 4.12 H new ATOM 0 HB3 PRO A 106 27.914 5.535 2.758 1.00 4.12 H new ATOM 0 HG2 PRO A 106 26.671 3.499 1.570 1.00 3.35 H new ATOM 0 HG3 PRO A 106 26.417 3.831 3.272 1.00 3.35 H new ATOM 0 HD2 PRO A 106 24.635 4.498 0.932 1.00 3.04 H new ATOM 0 HD3 PRO A 106 24.191 3.888 2.514 1.00 3.04 H new ATOM 1573 N PHE A 107 26.301 8.904 1.950 1.00 5.92 N ATOM 1574 CA PHE A 107 26.430 10.006 1.053 1.00 6.71 C ATOM 1575 C PHE A 107 26.719 11.256 1.841 1.00 7.07 C ATOM 1576 O PHE A 107 27.898 11.625 1.948 1.00 7.41 O ATOM 1577 CB PHE A 107 25.170 10.144 0.214 1.00 7.09 C ATOM 1578 CG PHE A 107 25.264 11.189 -0.867 1.00 7.78 C ATOM 1579 CD1 PHE A 107 24.797 12.476 -0.652 1.00 8.28 C ATOM 1580 CD2 PHE A 107 25.831 10.887 -2.086 1.00 8.18 C ATOM 1581 CE1 PHE A 107 24.897 13.436 -1.632 1.00 9.14 C ATOM 1582 CE2 PHE A 107 25.930 11.843 -3.071 1.00 9.05 C ATOM 1583 CZ PHE A 107 25.465 13.119 -2.843 1.00 9.52 C ATOM 1584 OXT PHE A 107 25.783 11.833 2.427 1.00 7.30 O ATOM 0 H PHE A 107 26.337 9.157 2.937 1.00 5.92 H new ATOM 0 HA PHE A 107 27.261 9.836 0.368 1.00 6.71 H new ATOM 0 HB2 PHE A 107 24.944 9.181 -0.244 1.00 7.09 H new ATOM 0 HB3 PHE A 107 24.334 10.389 0.870 1.00 7.09 H new ATOM 0 HD1 PHE A 107 24.349 12.729 0.298 1.00 8.28 H new ATOM 0 HD2 PHE A 107 26.202 9.889 -2.270 1.00 8.18 H new ATOM 0 HE1 PHE A 107 24.530 14.436 -1.451 1.00 9.14 H new ATOM 0 HE2 PHE A 107 26.373 11.592 -4.024 1.00 9.05 H new ATOM 0 HZ PHE A 107 25.546 13.870 -3.615 1.00 9.52 H new TER 1594 PHE A 107