USER MOD reduce.3.24.130724 H: found=0, std=0, add=1143, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1139 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 79 GLN : amide:sc= -30.5! C(o=-37!,f=-38!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 180:sc= -2.28! (180deg=-2.28!) USER MOD Set 1.3: A 83 ASN : amide:sc= -4.72! C(o=-37!,f=-39!) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.847 K(o=2,f=-9.9!) USER MOD Set 2.2: A 22 LYS NZ :NH3+ -138:sc= 1.19 (180deg=0) USER MOD Set 3.1: A 1 ARG N :NH3+ -154:sc= -1.08 (180deg=-2.61!) USER MOD Set 3.2: A 2 HIS : no HD1:sc= -2.11 K(o=-3.2,f=-6.2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 13 HIS : no HD1:sc= -0.787 X(o=-0.79,f=-1.1) USER MOD Single : A 17 LYS NZ :NH3+ -126:sc= -4! (180deg=-8.62!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 140:sc= -1.9! USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -2.08! C(o=-9.3!,f=-2.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -6.96! C(o=-7!,f=-11!) USER MOD Single : A 34 ASN : amide:sc= -0.0884 X(o=-0.088,f=-0.088) USER MOD Single : A 35 LYS NZ :NH3+ -172:sc= -0.652! (180deg=-0.791!) USER MOD Single : A 37 ASN : amide:sc= -6.57! C(o=-6.6!,f=-7.4!) USER MOD Single : A 41 THR OG1 : rot 180:sc=-0.00509 USER MOD Single : A 45 THR OG1 : rot -153:sc= -0.81 USER MOD Single : A 46 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.82) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0.719 K(o=0.72,f=-3.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -67:sc= 1.11 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.442 X(o=-0.44,f=-0.62) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 150:sc= -0.341 (180deg=-1.46!) USER MOD Single : A 108 ASN : amide:sc= -0.0812 K(o=-0.081,f=-0.66) USER MOD Single : A 109 CYS SG : rot -29:sc= -0.707 USER MOD Single : A 112 LYS NZ :NH3+ -156:sc= -0.235 (180deg=-0.991) USER MOD Single : A 113 SER OG : rot 92:sc= -0.0817 USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 THR OG1 : rot 85:sc= 1.27 USER MOD Single : A 124 LYS NZ :NH3+ -145:sc= -4.06! (180deg=-5.16!) USER MOD Single : A 125 TYR OH : rot 120:sc= -0.0788 USER MOD Single : A 127 ASN :FLIP amide:sc= -0.673 F(o=-4.5!,f=-0.67) USER MOD Single : B 1 ASP N :NH3+ -134:sc= 0.0253 (180deg=-1.37) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 14.557 -21.230 -4.345 1.00 1.51 N ATOM 2 CA ARG A 1 13.755 -20.472 -5.346 1.00 1.47 C ATOM 3 C ARG A 1 13.642 -19.012 -4.902 1.00 1.42 C ATOM 4 O ARG A 1 12.559 -18.485 -4.741 1.00 1.41 O ATOM 5 CB ARG A 1 12.348 -21.082 -5.455 1.00 1.52 C ATOM 6 CG ARG A 1 12.412 -22.489 -6.092 1.00 1.58 C ATOM 7 CD ARG A 1 12.622 -23.557 -5.011 1.00 1.56 C ATOM 8 NE ARG A 1 11.521 -23.478 -4.010 1.00 1.55 N ATOM 9 CZ ARG A 1 11.321 -24.465 -3.180 1.00 1.55 C ATOM 10 NH1 ARG A 1 12.087 -25.520 -3.224 1.00 1.57 N ATOM 11 NH2 ARG A 1 10.355 -24.396 -2.305 1.00 1.54 N ATOM 0 H1 ARG A 1 15.006 -22.047 -4.806 1.00 1.51 H new ATOM 0 H2 ARG A 1 15.291 -20.610 -3.947 1.00 1.51 H new ATOM 0 H3 ARG A 1 13.934 -21.563 -3.582 1.00 1.51 H new ATOM 0 HA ARG A 1 14.246 -20.525 -6.318 1.00 1.47 H new ATOM 0 HB2 ARG A 1 11.896 -21.145 -4.465 1.00 1.52 H new ATOM 0 HB3 ARG A 1 11.710 -20.434 -6.056 1.00 1.52 H new ATOM 0 HG2 ARG A 1 11.490 -22.691 -6.637 1.00 1.58 H new ATOM 0 HG3 ARG A 1 13.226 -22.531 -6.816 1.00 1.58 H new ATOM 0 HD2 ARG A 1 12.645 -24.548 -5.464 1.00 1.56 H new ATOM 0 HD3 ARG A 1 13.584 -23.409 -4.521 1.00 1.56 H new ATOM 0 HE ARG A 1 10.923 -22.652 -3.974 1.00 1.55 H new ATOM 0 HH11 ARG A 1 12.842 -25.574 -3.907 1.00 1.57 H new ATOM 0 HH12 ARG A 1 11.930 -26.291 -2.575 1.00 1.57 H new ATOM 0 HH21 ARG A 1 9.757 -23.571 -2.270 1.00 1.54 H new ATOM 0 HH22 ARG A 1 10.199 -25.167 -1.656 1.00 1.54 H new ATOM 27 N HIS A 2 14.755 -18.354 -4.702 1.00 1.39 N ATOM 28 CA HIS A 2 14.723 -16.924 -4.266 1.00 1.35 C ATOM 29 C HIS A 2 15.842 -16.153 -4.971 1.00 1.38 C ATOM 30 O HIS A 2 17.001 -16.507 -4.889 1.00 1.44 O ATOM 31 CB HIS A 2 14.930 -16.852 -2.751 1.00 1.31 C ATOM 32 CG HIS A 2 13.856 -17.647 -2.059 1.00 1.26 C ATOM 33 ND1 HIS A 2 13.846 -19.033 -2.059 1.00 1.27 N ATOM 34 CD2 HIS A 2 12.751 -17.264 -1.340 1.00 1.20 C ATOM 35 CE1 HIS A 2 12.766 -19.430 -1.360 1.00 1.22 C ATOM 36 NE2 HIS A 2 12.064 -18.391 -0.900 1.00 1.17 N ATOM 0 H HIS A 2 15.689 -18.747 -4.822 1.00 1.39 H new ATOM 0 HA HIS A 2 13.760 -16.484 -4.524 1.00 1.35 H new ATOM 0 HB2 HIS A 2 15.913 -17.243 -2.489 1.00 1.31 H new ATOM 0 HB3 HIS A 2 14.901 -15.814 -2.418 1.00 1.31 H new ATOM 0 HD2 HIS A 2 12.459 -16.243 -1.145 1.00 1.20 H new ATOM 0 HE1 HIS A 2 12.500 -20.463 -1.192 1.00 1.22 H new ATOM 0 HE2 HIS A 2 11.208 -18.418 -0.345 1.00 1.17 H new ATOM 44 N GLU A 3 15.503 -15.096 -5.664 1.00 1.36 N ATOM 45 CA GLU A 3 16.543 -14.292 -6.376 1.00 1.40 C ATOM 46 C GLU A 3 16.978 -13.126 -5.486 1.00 1.39 C ATOM 47 O GLU A 3 16.277 -12.734 -4.574 1.00 1.34 O ATOM 48 CB GLU A 3 15.962 -13.745 -7.687 1.00 1.39 C ATOM 49 CG GLU A 3 14.548 -13.197 -7.447 1.00 1.41 C ATOM 50 CD GLU A 3 13.538 -14.349 -7.431 1.00 1.40 C ATOM 51 OE1 GLU A 3 13.212 -14.840 -8.499 1.00 1.60 O ATOM 52 OE2 GLU A 3 13.109 -14.719 -6.350 1.00 1.53 O ATOM 0 H GLU A 3 14.548 -14.754 -5.768 1.00 1.36 H new ATOM 0 HA GLU A 3 17.403 -14.924 -6.598 1.00 1.40 H new ATOM 0 HB2 GLU A 3 16.605 -12.956 -8.078 1.00 1.39 H new ATOM 0 HB3 GLU A 3 15.932 -14.534 -8.438 1.00 1.39 H new ATOM 0 HG2 GLU A 3 14.513 -12.658 -6.500 1.00 1.41 H new ATOM 0 HG3 GLU A 3 14.287 -12.484 -8.229 1.00 1.41 H new ATOM 59 N ARG A 4 18.133 -12.567 -5.740 1.00 1.44 N ATOM 60 CA ARG A 4 18.618 -11.426 -4.909 1.00 1.44 C ATOM 61 C ARG A 4 18.174 -10.108 -5.550 1.00 1.43 C ATOM 62 O ARG A 4 18.515 -9.807 -6.676 1.00 1.45 O ATOM 63 CB ARG A 4 20.151 -11.488 -4.822 1.00 1.51 C ATOM 64 CG ARG A 4 20.713 -10.184 -4.215 1.00 1.53 C ATOM 65 CD ARG A 4 20.846 -9.066 -5.283 1.00 1.56 C ATOM 66 NE ARG A 4 22.179 -8.391 -5.154 1.00 1.64 N ATOM 67 CZ ARG A 4 22.637 -8.002 -3.991 1.00 1.68 C ATOM 68 NH1 ARG A 4 21.899 -8.106 -2.921 1.00 1.65 N ATOM 69 NH2 ARG A 4 23.829 -7.478 -3.907 1.00 1.74 N ATOM 0 H ARG A 4 18.763 -12.853 -6.490 1.00 1.44 H new ATOM 0 HA ARG A 4 18.200 -11.487 -3.904 1.00 1.44 H new ATOM 0 HB2 ARG A 4 20.452 -12.339 -4.211 1.00 1.51 H new ATOM 0 HB3 ARG A 4 20.571 -11.644 -5.816 1.00 1.51 H new ATOM 0 HG2 ARG A 4 20.059 -9.845 -3.412 1.00 1.53 H new ATOM 0 HG3 ARG A 4 21.688 -10.380 -3.770 1.00 1.53 H new ATOM 0 HD2 ARG A 4 20.739 -9.490 -6.281 1.00 1.56 H new ATOM 0 HD3 ARG A 4 20.046 -8.336 -5.159 1.00 1.56 H new ATOM 0 HE ARG A 4 22.741 -8.232 -5.990 1.00 1.64 H new ATOM 0 HH11 ARG A 4 20.957 -8.493 -2.986 1.00 1.65 H new ATOM 0 HH12 ARG A 4 22.263 -7.801 -2.019 1.00 1.65 H new ATOM 0 HH21 ARG A 4 24.400 -7.373 -4.746 1.00 1.74 H new ATOM 0 HH22 ARG A 4 24.190 -7.174 -3.003 1.00 1.74 H new ATOM 83 N ASP A 5 17.398 -9.326 -4.842 1.00 1.40 N ATOM 84 CA ASP A 5 16.910 -8.029 -5.395 1.00 1.39 C ATOM 85 C ASP A 5 16.934 -6.965 -4.294 1.00 1.41 C ATOM 86 O ASP A 5 17.893 -6.834 -3.560 1.00 1.46 O ATOM 87 CB ASP A 5 15.474 -8.216 -5.905 1.00 1.32 C ATOM 88 CG ASP A 5 15.164 -7.188 -6.999 1.00 1.32 C ATOM 89 OD1 ASP A 5 15.823 -6.162 -7.025 1.00 1.32 O ATOM 90 OD2 ASP A 5 14.271 -7.446 -7.790 1.00 1.33 O ATOM 0 H ASP A 5 17.080 -9.534 -3.896 1.00 1.40 H new ATOM 0 HA ASP A 5 17.552 -7.708 -6.215 1.00 1.39 H new ATOM 0 HB2 ASP A 5 15.348 -9.225 -6.297 1.00 1.32 H new ATOM 0 HB3 ASP A 5 14.770 -8.104 -5.081 1.00 1.32 H new ATOM 95 N ALA A 6 15.882 -6.204 -4.182 1.00 1.37 N ATOM 96 CA ALA A 6 15.834 -5.143 -3.135 1.00 1.39 C ATOM 97 C ALA A 6 15.524 -5.771 -1.772 1.00 1.40 C ATOM 98 O ALA A 6 16.280 -5.625 -0.834 1.00 1.45 O ATOM 99 CB ALA A 6 14.742 -4.132 -3.488 1.00 1.34 C ATOM 0 H ALA A 6 15.052 -6.270 -4.770 1.00 1.37 H new ATOM 0 HA ALA A 6 16.800 -4.640 -3.088 1.00 1.39 H new ATOM 0 HB1 ALA A 6 14.705 -3.355 -2.724 1.00 1.34 H new ATOM 0 HB2 ALA A 6 14.963 -3.680 -4.455 1.00 1.34 H new ATOM 0 HB3 ALA A 6 13.779 -4.639 -3.537 1.00 1.34 H new ATOM 105 N PHE A 7 14.426 -6.477 -1.655 1.00 1.35 N ATOM 106 CA PHE A 7 14.076 -7.120 -0.346 1.00 1.36 C ATOM 107 C PHE A 7 15.313 -7.801 0.234 1.00 1.43 C ATOM 108 O PHE A 7 15.519 -7.824 1.426 1.00 1.46 O ATOM 109 CB PHE A 7 12.932 -8.152 -0.551 1.00 1.31 C ATOM 110 CG PHE A 7 12.693 -8.371 -2.028 1.00 1.26 C ATOM 111 CD1 PHE A 7 11.955 -7.433 -2.767 1.00 1.21 C ATOM 112 CD2 PHE A 7 13.231 -9.498 -2.662 1.00 1.27 C ATOM 113 CE1 PHE A 7 11.759 -7.634 -4.145 1.00 1.16 C ATOM 114 CE2 PHE A 7 13.028 -9.697 -4.031 1.00 1.23 C ATOM 115 CZ PHE A 7 12.293 -8.766 -4.772 1.00 1.18 C ATOM 0 H PHE A 7 13.756 -6.637 -2.408 1.00 1.35 H new ATOM 0 HA PHE A 7 13.732 -6.358 0.353 1.00 1.36 H new ATOM 0 HB2 PHE A 7 13.192 -9.096 -0.072 1.00 1.31 H new ATOM 0 HB3 PHE A 7 12.019 -7.795 -0.075 1.00 1.31 H new ATOM 0 HD1 PHE A 7 11.540 -6.563 -2.280 1.00 1.21 H new ATOM 0 HD2 PHE A 7 13.804 -10.215 -2.092 1.00 1.27 H new ATOM 0 HE1 PHE A 7 11.196 -6.914 -4.720 1.00 1.16 H new ATOM 0 HE2 PHE A 7 13.439 -10.570 -4.516 1.00 1.23 H new ATOM 0 HZ PHE A 7 12.137 -8.921 -5.829 1.00 1.18 H new ATOM 125 N ASP A 8 16.131 -8.354 -0.597 1.00 1.47 N ATOM 126 CA ASP A 8 17.344 -9.041 -0.080 1.00 1.54 C ATOM 127 C ASP A 8 18.241 -8.033 0.648 1.00 1.58 C ATOM 128 O ASP A 8 18.365 -8.054 1.853 1.00 1.60 O ATOM 129 CB ASP A 8 18.108 -9.673 -1.272 1.00 1.58 C ATOM 130 CG ASP A 8 18.387 -11.161 -1.010 1.00 1.64 C ATOM 131 OD1 ASP A 8 17.433 -11.899 -0.828 1.00 1.69 O ATOM 132 OD2 ASP A 8 19.549 -11.531 -0.996 1.00 1.64 O ATOM 0 H ASP A 8 16.019 -8.364 -1.611 1.00 1.47 H new ATOM 0 HA ASP A 8 17.057 -9.822 0.624 1.00 1.54 H new ATOM 0 HB2 ASP A 8 17.523 -9.563 -2.185 1.00 1.58 H new ATOM 0 HB3 ASP A 8 19.048 -9.144 -1.430 1.00 1.58 H new ATOM 137 N THR A 9 18.866 -7.161 -0.082 1.00 1.61 N ATOM 138 CA THR A 9 19.779 -6.160 0.549 1.00 1.66 C ATOM 139 C THR A 9 19.030 -5.280 1.545 1.00 1.62 C ATOM 140 O THR A 9 19.606 -4.761 2.480 1.00 1.65 O ATOM 141 CB THR A 9 20.398 -5.283 -0.543 1.00 1.71 C ATOM 142 OG1 THR A 9 20.890 -6.111 -1.588 1.00 1.71 O ATOM 143 CG2 THR A 9 21.547 -4.463 0.045 1.00 1.78 C ATOM 0 H THR A 9 18.787 -7.093 -1.097 1.00 1.61 H new ATOM 0 HA THR A 9 20.559 -6.697 1.089 1.00 1.66 H new ATOM 0 HB THR A 9 19.640 -4.607 -0.939 1.00 1.71 H new ATOM 0 HG1 THR A 9 21.285 -5.552 -2.289 1.00 1.71 H new ATOM 0 HG21 THR A 9 21.985 -3.840 -0.735 1.00 1.78 H new ATOM 0 HG22 THR A 9 21.168 -3.829 0.846 1.00 1.78 H new ATOM 0 HG23 THR A 9 22.307 -5.135 0.443 1.00 1.78 H new ATOM 151 N LEU A 10 17.763 -5.103 1.363 1.00 1.55 N ATOM 152 CA LEU A 10 16.999 -4.243 2.309 1.00 1.52 C ATOM 153 C LEU A 10 16.867 -4.975 3.651 1.00 1.51 C ATOM 154 O LEU A 10 17.193 -4.445 4.695 1.00 1.54 O ATOM 155 CB LEU A 10 15.600 -3.949 1.726 1.00 1.44 C ATOM 156 CG LEU A 10 15.585 -2.651 0.883 1.00 1.43 C ATOM 157 CD1 LEU A 10 15.465 -1.425 1.802 1.00 1.48 C ATOM 158 CD2 LEU A 10 16.854 -2.537 0.014 1.00 1.36 C ATOM 0 H LEU A 10 17.217 -5.512 0.605 1.00 1.55 H new ATOM 0 HA LEU A 10 17.523 -3.299 2.460 1.00 1.52 H new ATOM 0 HB2 LEU A 10 15.282 -4.787 1.106 1.00 1.44 H new ATOM 0 HB3 LEU A 10 14.879 -3.862 2.539 1.00 1.44 H new ATOM 0 HG LEU A 10 14.721 -2.689 0.220 1.00 1.43 H new ATOM 0 HD11 LEU A 10 15.455 -0.517 1.198 1.00 1.48 H new ATOM 0 HD12 LEU A 10 14.540 -1.489 2.375 1.00 1.48 H new ATOM 0 HD13 LEU A 10 16.314 -1.398 2.485 1.00 1.48 H new ATOM 0 HD21 LEU A 10 16.816 -1.616 -0.567 1.00 1.36 H new ATOM 0 HD22 LEU A 10 17.735 -2.525 0.656 1.00 1.36 H new ATOM 0 HD23 LEU A 10 16.910 -3.390 -0.662 1.00 1.36 H new ATOM 170 N PHE A 11 16.385 -6.185 3.626 1.00 1.48 N ATOM 171 CA PHE A 11 16.219 -6.957 4.889 1.00 1.48 C ATOM 172 C PHE A 11 17.545 -7.611 5.265 1.00 1.55 C ATOM 173 O PHE A 11 17.734 -8.053 6.381 1.00 1.57 O ATOM 174 CB PHE A 11 15.144 -8.030 4.663 1.00 1.42 C ATOM 175 CG PHE A 11 13.792 -7.431 4.890 1.00 1.36 C ATOM 176 CD1 PHE A 11 13.182 -6.811 3.833 1.00 1.31 C ATOM 177 CD2 PHE A 11 13.173 -7.482 6.144 1.00 1.34 C ATOM 178 CE1 PHE A 11 11.927 -6.217 3.990 1.00 1.25 C ATOM 179 CE2 PHE A 11 11.913 -6.896 6.317 1.00 1.27 C ATOM 180 CZ PHE A 11 11.288 -6.260 5.236 1.00 1.23 C ATOM 0 H PHE A 11 16.097 -6.676 2.780 1.00 1.48 H new ATOM 0 HA PHE A 11 15.915 -6.296 5.701 1.00 1.48 H new ATOM 0 HB2 PHE A 11 15.214 -8.424 3.649 1.00 1.42 H new ATOM 0 HB3 PHE A 11 15.302 -8.868 5.342 1.00 1.42 H new ATOM 0 HD1 PHE A 11 13.674 -6.781 2.872 1.00 1.31 H new ATOM 0 HD2 PHE A 11 13.664 -7.970 6.973 1.00 1.34 H new ATOM 0 HE1 PHE A 11 11.451 -5.726 3.154 1.00 1.25 H new ATOM 0 HE2 PHE A 11 11.425 -6.934 7.280 1.00 1.27 H new ATOM 0 HZ PHE A 11 10.317 -5.805 5.363 1.00 1.23 H new ATOM 190 N ASP A 12 18.466 -7.673 4.343 1.00 1.58 N ATOM 191 CA ASP A 12 19.796 -8.305 4.655 1.00 1.65 C ATOM 192 C ASP A 12 20.827 -7.230 5.004 1.00 1.70 C ATOM 193 O ASP A 12 21.900 -7.532 5.488 1.00 1.75 O ATOM 194 CB ASP A 12 20.304 -9.111 3.455 1.00 1.68 C ATOM 195 CG ASP A 12 19.263 -10.162 3.064 1.00 1.63 C ATOM 196 OD1 ASP A 12 18.128 -10.031 3.492 1.00 1.58 O ATOM 197 OD2 ASP A 12 19.619 -11.081 2.345 1.00 1.65 O ATOM 0 H ASP A 12 18.364 -7.319 3.392 1.00 1.58 H new ATOM 0 HA ASP A 12 19.660 -8.971 5.507 1.00 1.65 H new ATOM 0 HB2 ASP A 12 20.498 -8.446 2.613 1.00 1.68 H new ATOM 0 HB3 ASP A 12 21.249 -9.595 3.703 1.00 1.68 H new ATOM 202 N HIS A 13 20.532 -5.978 4.764 1.00 1.70 N ATOM 203 CA HIS A 13 21.534 -4.915 5.092 1.00 1.76 C ATOM 204 C HIS A 13 20.852 -3.575 5.400 1.00 1.73 C ATOM 205 O HIS A 13 21.456 -2.531 5.258 1.00 1.77 O ATOM 206 CB HIS A 13 22.479 -4.733 3.904 1.00 1.80 C ATOM 207 CG HIS A 13 23.637 -3.863 4.313 1.00 1.86 C ATOM 208 ND1 HIS A 13 24.106 -2.835 3.511 1.00 1.87 N ATOM 209 CD2 HIS A 13 24.429 -3.856 5.434 1.00 1.91 C ATOM 210 CE1 HIS A 13 25.136 -2.256 4.155 1.00 1.93 C ATOM 211 NE2 HIS A 13 25.375 -2.840 5.332 1.00 1.95 N ATOM 0 H HIS A 13 19.655 -5.647 4.361 1.00 1.70 H new ATOM 0 HA HIS A 13 22.086 -5.229 5.978 1.00 1.76 H new ATOM 0 HB2 HIS A 13 22.842 -5.702 3.562 1.00 1.80 H new ATOM 0 HB3 HIS A 13 21.947 -4.279 3.068 1.00 1.80 H new ATOM 0 HD2 HIS A 13 24.333 -4.535 6.268 1.00 1.91 H new ATOM 0 HE1 HIS A 13 25.701 -1.421 3.767 1.00 1.93 H new ATOM 0 HE2 HIS A 13 26.096 -2.594 6.010 1.00 1.95 H new ATOM 219 N ALA A 14 19.619 -3.575 5.836 1.00 1.66 N ATOM 220 CA ALA A 14 18.968 -2.267 6.156 1.00 1.63 C ATOM 221 C ALA A 14 17.639 -2.462 6.900 1.00 1.56 C ATOM 222 O ALA A 14 16.597 -2.110 6.384 1.00 1.51 O ATOM 223 CB ALA A 14 18.711 -1.501 4.856 1.00 1.62 C ATOM 0 H ALA A 14 19.044 -4.404 5.983 1.00 1.66 H new ATOM 0 HA ALA A 14 19.639 -1.705 6.805 1.00 1.63 H new ATOM 0 HB1 ALA A 14 18.236 -0.547 5.084 1.00 1.62 H new ATOM 0 HB2 ALA A 14 19.657 -1.323 4.345 1.00 1.62 H new ATOM 0 HB3 ALA A 14 18.056 -2.087 4.212 1.00 1.62 H new ATOM 229 N PRO A 15 17.705 -2.983 8.107 1.00 1.57 N ATOM 230 CA PRO A 15 16.499 -3.176 8.925 1.00 1.51 C ATOM 231 C PRO A 15 16.002 -1.801 9.408 1.00 1.50 C ATOM 232 O PRO A 15 14.890 -1.659 9.877 1.00 1.44 O ATOM 233 CB PRO A 15 16.969 -4.043 10.119 1.00 1.54 C ATOM 234 CG PRO A 15 18.506 -4.234 9.983 1.00 1.62 C ATOM 235 CD PRO A 15 18.959 -3.431 8.747 1.00 1.64 C ATOM 0 HA PRO A 15 15.680 -3.651 8.385 1.00 1.51 H new ATOM 0 HB2 PRO A 15 16.725 -3.558 11.064 1.00 1.54 H new ATOM 0 HB3 PRO A 15 16.461 -5.007 10.116 1.00 1.54 H new ATOM 0 HG2 PRO A 15 19.018 -3.882 10.879 1.00 1.62 H new ATOM 0 HG3 PRO A 15 18.754 -5.289 9.868 1.00 1.62 H new ATOM 0 HD2 PRO A 15 19.582 -2.583 9.033 1.00 1.64 H new ATOM 0 HD3 PRO A 15 19.550 -4.047 8.070 1.00 1.64 H new ATOM 243 N ASP A 16 16.836 -0.794 9.310 1.00 1.55 N ATOM 244 CA ASP A 16 16.433 0.570 9.780 1.00 1.55 C ATOM 245 C ASP A 16 15.706 1.329 8.666 1.00 1.52 C ATOM 246 O ASP A 16 14.650 1.902 8.872 1.00 1.48 O ATOM 247 CB ASP A 16 17.683 1.352 10.187 1.00 1.63 C ATOM 248 CG ASP A 16 17.274 2.714 10.749 1.00 1.65 C ATOM 249 OD1 ASP A 16 16.104 3.046 10.652 1.00 1.64 O ATOM 250 OD2 ASP A 16 18.138 3.403 11.267 1.00 1.68 O ATOM 0 H ASP A 16 17.778 -0.857 8.925 1.00 1.55 H new ATOM 0 HA ASP A 16 15.761 0.464 10.632 1.00 1.55 H new ATOM 0 HB2 ASP A 16 18.247 0.793 10.934 1.00 1.63 H new ATOM 0 HB3 ASP A 16 18.338 1.484 9.326 1.00 1.63 H new ATOM 255 N LYS A 17 16.263 1.346 7.489 1.00 1.55 N ATOM 256 CA LYS A 17 15.605 2.073 6.371 1.00 1.54 C ATOM 257 C LYS A 17 14.264 1.411 6.079 1.00 1.46 C ATOM 258 O LYS A 17 13.298 2.061 5.739 1.00 1.42 O ATOM 259 CB LYS A 17 16.489 2.017 5.124 1.00 1.59 C ATOM 260 CG LYS A 17 17.793 2.776 5.386 1.00 1.67 C ATOM 261 CD LYS A 17 18.506 3.040 4.058 1.00 1.72 C ATOM 262 CE LYS A 17 19.947 3.480 4.328 1.00 1.80 C ATOM 263 NZ LYS A 17 20.522 4.081 3.091 1.00 1.80 N ATOM 0 H LYS A 17 17.144 0.889 7.253 1.00 1.55 H new ATOM 0 HA LYS A 17 15.453 3.116 6.648 1.00 1.54 H new ATOM 0 HB2 LYS A 17 16.705 0.981 4.865 1.00 1.59 H new ATOM 0 HB3 LYS A 17 15.965 2.455 4.274 1.00 1.59 H new ATOM 0 HG2 LYS A 17 17.582 3.718 5.891 1.00 1.67 H new ATOM 0 HG3 LYS A 17 18.437 2.196 6.048 1.00 1.67 H new ATOM 0 HD2 LYS A 17 18.499 2.139 3.444 1.00 1.72 H new ATOM 0 HD3 LYS A 17 17.978 3.812 3.497 1.00 1.72 H new ATOM 0 HE2 LYS A 17 19.971 4.204 5.142 1.00 1.80 H new ATOM 0 HE3 LYS A 17 20.547 2.626 4.643 1.00 1.80 H new ATOM 0 HZ1 LYS A 17 21.413 3.600 2.853 1.00 1.80 H new ATOM 0 HZ2 LYS A 17 19.849 3.970 2.306 1.00 1.80 H new ATOM 0 HZ3 LYS A 17 20.706 5.092 3.249 1.00 1.80 H new ATOM 277 N LEU A 18 14.192 0.118 6.218 1.00 1.43 N ATOM 278 CA LEU A 18 12.908 -0.578 5.957 1.00 1.36 C ATOM 279 C LEU A 18 11.822 0.067 6.816 1.00 1.31 C ATOM 280 O LEU A 18 10.680 0.179 6.415 1.00 1.26 O ATOM 281 CB LEU A 18 13.053 -2.070 6.309 1.00 1.35 C ATOM 282 CG LEU A 18 13.570 -2.854 5.087 1.00 1.35 C ATOM 283 CD1 LEU A 18 14.228 -4.154 5.548 1.00 1.28 C ATOM 284 CD2 LEU A 18 12.404 -3.190 4.148 1.00 1.41 C ATOM 0 H LEU A 18 14.966 -0.484 6.500 1.00 1.43 H new ATOM 0 HA LEU A 18 12.637 -0.494 4.905 1.00 1.36 H new ATOM 0 HB2 LEU A 18 13.742 -2.189 7.145 1.00 1.35 H new ATOM 0 HB3 LEU A 18 12.091 -2.472 6.628 1.00 1.35 H new ATOM 0 HG LEU A 18 14.298 -2.239 4.558 1.00 1.35 H new ATOM 0 HD11 LEU A 18 14.592 -4.705 4.681 1.00 1.28 H new ATOM 0 HD12 LEU A 18 15.064 -3.924 6.209 1.00 1.28 H new ATOM 0 HD13 LEU A 18 13.498 -4.761 6.084 1.00 1.28 H new ATOM 0 HD21 LEU A 18 12.778 -3.744 3.287 1.00 1.41 H new ATOM 0 HD22 LEU A 18 11.672 -3.797 4.680 1.00 1.41 H new ATOM 0 HD23 LEU A 18 11.933 -2.268 3.809 1.00 1.41 H new ATOM 296 N ASN A 19 12.174 0.505 7.990 1.00 1.33 N ATOM 297 CA ASN A 19 11.168 1.158 8.867 1.00 1.29 C ATOM 298 C ASN A 19 10.806 2.515 8.265 1.00 1.30 C ATOM 299 O ASN A 19 9.650 2.824 8.044 1.00 1.25 O ATOM 300 CB ASN A 19 11.758 1.356 10.265 1.00 1.32 C ATOM 301 CG ASN A 19 10.642 1.723 11.244 1.00 1.27 C ATOM 302 OD1 ASN A 19 9.511 1.311 11.077 1.00 1.29 O ATOM 303 ND2 ASN A 19 10.915 2.486 12.267 1.00 1.22 N ATOM 0 H ASN A 19 13.114 0.439 8.380 1.00 1.33 H new ATOM 0 HA ASN A 19 10.277 0.534 8.943 1.00 1.29 H new ATOM 0 HB2 ASN A 19 12.258 0.444 10.592 1.00 1.32 H new ATOM 0 HB3 ASN A 19 12.512 2.143 10.245 1.00 1.32 H new ATOM 0 HD21 ASN A 19 10.179 2.737 12.927 1.00 1.22 H new ATOM 0 HD22 ASN A 19 11.865 2.831 12.407 1.00 1.22 H new ATOM 310 N VAL A 20 11.791 3.324 7.986 1.00 1.36 N ATOM 311 CA VAL A 20 11.508 4.658 7.387 1.00 1.38 C ATOM 312 C VAL A 20 10.852 4.474 6.014 1.00 1.34 C ATOM 313 O VAL A 20 10.018 5.259 5.603 1.00 1.32 O ATOM 314 CB VAL A 20 12.817 5.435 7.228 1.00 1.46 C ATOM 315 CG1 VAL A 20 12.509 6.913 6.973 1.00 1.48 C ATOM 316 CG2 VAL A 20 13.646 5.303 8.508 1.00 1.50 C ATOM 0 H VAL A 20 12.777 3.119 8.147 1.00 1.36 H new ATOM 0 HA VAL A 20 10.834 5.213 8.040 1.00 1.38 H new ATOM 0 HB VAL A 20 13.378 5.030 6.385 1.00 1.46 H new ATOM 0 HG11 VAL A 20 13.442 7.465 6.860 1.00 1.48 H new ATOM 0 HG12 VAL A 20 11.918 7.010 6.062 1.00 1.48 H new ATOM 0 HG13 VAL A 20 11.948 7.318 7.815 1.00 1.48 H new ATOM 0 HG21 VAL A 20 14.579 5.856 8.396 1.00 1.50 H new ATOM 0 HG22 VAL A 20 13.083 5.707 9.349 1.00 1.50 H new ATOM 0 HG23 VAL A 20 13.867 4.252 8.691 1.00 1.50 H new ATOM 326 N VAL A 21 11.218 3.443 5.299 1.00 1.33 N ATOM 327 CA VAL A 21 10.610 3.218 3.956 1.00 1.30 C ATOM 328 C VAL A 21 9.108 2.948 4.114 1.00 1.22 C ATOM 329 O VAL A 21 8.308 3.388 3.309 1.00 1.19 O ATOM 330 CB VAL A 21 11.298 2.029 3.272 1.00 1.30 C ATOM 331 CG1 VAL A 21 10.494 1.597 2.040 1.00 1.26 C ATOM 332 CG2 VAL A 21 12.711 2.441 2.833 1.00 1.38 C ATOM 0 H VAL A 21 11.909 2.750 5.586 1.00 1.33 H new ATOM 0 HA VAL A 21 10.746 4.105 3.337 1.00 1.30 H new ATOM 0 HB VAL A 21 11.356 1.198 3.975 1.00 1.30 H new ATOM 0 HG11 VAL A 21 10.989 0.753 1.560 1.00 1.26 H new ATOM 0 HG12 VAL A 21 9.490 1.303 2.346 1.00 1.26 H new ATOM 0 HG13 VAL A 21 10.431 2.428 1.337 1.00 1.26 H new ATOM 0 HG21 VAL A 21 13.201 1.598 2.347 1.00 1.38 H new ATOM 0 HG22 VAL A 21 12.646 3.275 2.134 1.00 1.38 H new ATOM 0 HG23 VAL A 21 13.290 2.743 3.706 1.00 1.38 H new ATOM 342 N LYS A 22 8.702 2.261 5.154 1.00 1.19 N ATOM 343 CA LYS A 22 7.255 2.023 5.336 1.00 1.12 C ATOM 344 C LYS A 22 6.625 3.389 5.535 1.00 1.12 C ATOM 345 O LYS A 22 5.587 3.670 5.009 1.00 1.09 O ATOM 346 CB LYS A 22 7.043 1.098 6.556 1.00 1.09 C ATOM 347 CG LYS A 22 5.635 1.277 7.197 1.00 1.03 C ATOM 348 CD LYS A 22 5.708 0.993 8.705 1.00 1.03 C ATOM 349 CE LYS A 22 6.266 2.222 9.436 1.00 1.09 C ATOM 350 NZ LYS A 22 6.967 1.783 10.676 1.00 1.14 N ATOM 0 H LYS A 22 9.309 1.863 5.871 1.00 1.19 H new ATOM 0 HA LYS A 22 6.797 1.526 4.481 1.00 1.12 H new ATOM 0 HB2 LYS A 22 7.170 0.060 6.248 1.00 1.09 H new ATOM 0 HB3 LYS A 22 7.809 1.305 7.303 1.00 1.09 H new ATOM 0 HG2 LYS A 22 5.274 2.291 7.026 1.00 1.03 H new ATOM 0 HG3 LYS A 22 4.922 0.601 6.725 1.00 1.03 H new ATOM 0 HD2 LYS A 22 4.717 0.749 9.087 1.00 1.03 H new ATOM 0 HD3 LYS A 22 6.343 0.127 8.892 1.00 1.03 H new ATOM 0 HE2 LYS A 22 6.955 2.763 8.787 1.00 1.09 H new ATOM 0 HE3 LYS A 22 5.457 2.909 9.686 1.00 1.09 H new ATOM 0 HZ1 LYS A 22 6.730 2.429 11.456 1.00 1.14 H new ATOM 0 HZ2 LYS A 22 6.666 0.818 10.922 1.00 1.14 H new ATOM 0 HZ3 LYS A 22 7.995 1.795 10.517 1.00 1.14 H new ATOM 364 N LYS A 23 7.256 4.227 6.306 1.00 1.17 N ATOM 365 CA LYS A 23 6.705 5.594 6.561 1.00 1.18 C ATOM 366 C LYS A 23 6.591 6.388 5.248 1.00 1.20 C ATOM 367 O LYS A 23 5.762 7.270 5.114 1.00 1.20 O ATOM 368 CB LYS A 23 7.630 6.345 7.522 1.00 1.25 C ATOM 369 CG LYS A 23 7.752 5.563 8.836 1.00 1.23 C ATOM 370 CD LYS A 23 8.504 6.404 9.889 1.00 1.29 C ATOM 371 CE LYS A 23 7.520 7.291 10.663 1.00 1.36 C ATOM 372 NZ LYS A 23 8.275 8.344 11.398 1.00 1.39 N ATOM 0 H LYS A 23 8.138 4.026 6.777 1.00 1.17 H new ATOM 0 HA LYS A 23 5.712 5.492 6.999 1.00 1.18 H new ATOM 0 HB2 LYS A 23 8.614 6.473 7.070 1.00 1.25 H new ATOM 0 HB3 LYS A 23 7.237 7.343 7.716 1.00 1.25 H new ATOM 0 HG2 LYS A 23 6.760 5.304 9.207 1.00 1.23 H new ATOM 0 HG3 LYS A 23 8.282 4.626 8.662 1.00 1.23 H new ATOM 0 HD2 LYS A 23 9.032 5.747 10.580 1.00 1.29 H new ATOM 0 HD3 LYS A 23 9.256 7.024 9.400 1.00 1.29 H new ATOM 0 HE2 LYS A 23 6.809 7.750 9.976 1.00 1.36 H new ATOM 0 HE3 LYS A 23 6.942 6.687 11.363 1.00 1.36 H new ATOM 0 HZ1 LYS A 23 7.609 8.946 11.923 1.00 1.39 H new ATOM 0 HZ2 LYS A 23 8.936 7.896 12.064 1.00 1.39 H new ATOM 0 HZ3 LYS A 23 8.808 8.926 10.720 1.00 1.39 H new ATOM 386 N THR A 24 7.399 6.088 4.270 1.00 1.22 N ATOM 387 CA THR A 24 7.296 6.843 2.986 1.00 1.24 C ATOM 388 C THR A 24 6.083 6.322 2.247 1.00 1.18 C ATOM 389 O THR A 24 5.420 7.027 1.511 1.00 1.18 O ATOM 390 CB THR A 24 8.556 6.626 2.145 1.00 1.30 C ATOM 391 OG1 THR A 24 9.704 6.836 2.954 1.00 1.36 O ATOM 392 CG2 THR A 24 8.564 7.611 0.973 1.00 1.31 C ATOM 0 H THR A 24 8.117 5.364 4.300 1.00 1.22 H new ATOM 0 HA THR A 24 7.198 7.912 3.178 1.00 1.24 H new ATOM 0 HB THR A 24 8.567 5.607 1.759 1.00 1.30 H new ATOM 0 HG1 THR A 24 10.385 6.165 2.736 1.00 1.36 H new ATOM 0 HG21 THR A 24 9.461 7.456 0.374 1.00 1.31 H new ATOM 0 HG22 THR A 24 7.682 7.447 0.354 1.00 1.31 H new ATOM 0 HG23 THR A 24 8.554 8.632 1.355 1.00 1.31 H new ATOM 400 N LEU A 25 5.767 5.094 2.479 1.00 1.13 N ATOM 401 CA LEU A 25 4.578 4.505 1.848 1.00 1.07 C ATOM 402 C LEU A 25 3.362 5.053 2.601 1.00 1.03 C ATOM 403 O LEU A 25 2.298 5.233 2.042 1.00 0.99 O ATOM 404 CB LEU A 25 4.706 2.986 1.952 1.00 1.03 C ATOM 405 CG LEU A 25 5.947 2.556 1.150 1.00 1.08 C ATOM 406 CD1 LEU A 25 6.252 1.066 1.397 1.00 1.06 C ATOM 407 CD2 LEU A 25 5.729 2.831 -0.359 1.00 1.09 C ATOM 0 H LEU A 25 6.290 4.465 3.088 1.00 1.13 H new ATOM 0 HA LEU A 25 4.472 4.756 0.793 1.00 1.07 H new ATOM 0 HB2 LEU A 25 4.802 2.682 2.994 1.00 1.03 H new ATOM 0 HB3 LEU A 25 3.812 2.501 1.560 1.00 1.03 H new ATOM 0 HG LEU A 25 6.804 3.140 1.485 1.00 1.08 H new ATOM 0 HD11 LEU A 25 7.132 0.775 0.824 1.00 1.06 H new ATOM 0 HD12 LEU A 25 6.440 0.904 2.458 1.00 1.06 H new ATOM 0 HD13 LEU A 25 5.399 0.463 1.084 1.00 1.06 H new ATOM 0 HD21 LEU A 25 6.614 2.523 -0.916 1.00 1.09 H new ATOM 0 HD22 LEU A 25 4.864 2.268 -0.710 1.00 1.09 H new ATOM 0 HD23 LEU A 25 5.556 3.896 -0.513 1.00 1.09 H new ATOM 419 N ILE A 26 3.540 5.383 3.863 1.00 1.04 N ATOM 420 CA ILE A 26 2.433 5.983 4.648 1.00 1.01 C ATOM 421 C ILE A 26 2.148 7.343 4.037 1.00 1.05 C ATOM 422 O ILE A 26 1.042 7.810 4.062 1.00 1.02 O ATOM 423 CB ILE A 26 2.857 6.154 6.125 1.00 1.03 C ATOM 424 CG1 ILE A 26 3.018 4.768 6.755 1.00 0.99 C ATOM 425 CG2 ILE A 26 1.796 6.949 6.913 1.00 1.02 C ATOM 426 CD1 ILE A 26 3.210 4.886 8.270 1.00 1.01 C ATOM 0 H ILE A 26 4.413 5.258 4.376 1.00 1.04 H new ATOM 0 HA ILE A 26 1.550 5.344 4.623 1.00 1.01 H new ATOM 0 HB ILE A 26 3.798 6.703 6.161 1.00 1.03 H new ATOM 0 HG12 ILE A 26 2.139 4.160 6.540 1.00 0.99 H new ATOM 0 HG13 ILE A 26 3.874 4.258 6.313 1.00 0.99 H new ATOM 0 HG21 ILE A 26 2.117 7.056 7.949 1.00 1.02 H new ATOM 0 HG22 ILE A 26 1.675 7.936 6.467 1.00 1.02 H new ATOM 0 HG23 ILE A 26 0.845 6.417 6.881 1.00 1.02 H new ATOM 0 HD11 ILE A 26 3.323 3.891 8.701 1.00 1.01 H new ATOM 0 HD12 ILE A 26 4.103 5.475 8.479 1.00 1.01 H new ATOM 0 HD13 ILE A 26 2.341 5.376 8.710 1.00 1.01 H new ATOM 438 N THR A 27 3.153 7.983 3.503 1.00 1.11 N ATOM 439 CA THR A 27 2.946 9.329 2.893 1.00 1.15 C ATOM 440 C THR A 27 2.111 9.198 1.602 1.00 1.12 C ATOM 441 O THR A 27 1.101 9.859 1.434 1.00 1.12 O ATOM 442 CB THR A 27 4.320 9.957 2.592 1.00 1.23 C ATOM 443 OG1 THR A 27 4.894 10.419 3.807 1.00 1.27 O ATOM 444 CG2 THR A 27 4.168 11.138 1.626 1.00 1.27 C ATOM 0 H THR A 27 4.110 7.632 3.463 1.00 1.11 H new ATOM 0 HA THR A 27 2.402 9.972 3.585 1.00 1.15 H new ATOM 0 HB THR A 27 4.962 9.205 2.132 1.00 1.23 H new ATOM 0 HG1 THR A 27 5.770 10.819 3.624 1.00 1.27 H new ATOM 0 HG21 THR A 27 5.148 11.571 1.423 1.00 1.27 H new ATOM 0 HG22 THR A 27 3.725 10.790 0.693 1.00 1.27 H new ATOM 0 HG23 THR A 27 3.523 11.894 2.074 1.00 1.27 H new ATOM 452 N PHE A 28 2.516 8.351 0.691 1.00 1.10 N ATOM 453 CA PHE A 28 1.738 8.189 -0.578 1.00 1.07 C ATOM 454 C PHE A 28 0.271 7.881 -0.221 1.00 1.01 C ATOM 455 O PHE A 28 -0.670 8.387 -0.834 1.00 1.02 O ATOM 456 CB PHE A 28 2.394 7.053 -1.409 1.00 1.05 C ATOM 457 CG PHE A 28 1.379 6.298 -2.241 1.00 1.03 C ATOM 458 CD1 PHE A 28 0.796 6.909 -3.354 1.00 1.08 C ATOM 459 CD2 PHE A 28 1.020 4.988 -1.893 1.00 0.97 C ATOM 460 CE1 PHE A 28 -0.147 6.215 -4.114 1.00 1.06 C ATOM 461 CE2 PHE A 28 0.078 4.293 -2.658 1.00 0.96 C ATOM 462 CZ PHE A 28 -0.508 4.908 -3.768 1.00 1.00 C ATOM 0 H PHE A 28 3.348 7.766 0.768 1.00 1.10 H new ATOM 0 HA PHE A 28 1.749 9.098 -1.179 1.00 1.07 H new ATOM 0 HB2 PHE A 28 3.156 7.477 -2.064 1.00 1.05 H new ATOM 0 HB3 PHE A 28 2.900 6.359 -0.738 1.00 1.05 H new ATOM 0 HD1 PHE A 28 1.074 7.916 -3.626 1.00 1.08 H new ATOM 0 HD2 PHE A 28 1.471 4.515 -1.033 1.00 0.97 H new ATOM 0 HE1 PHE A 28 -0.600 6.689 -4.972 1.00 1.06 H new ATOM 0 HE2 PHE A 28 -0.196 3.283 -2.392 1.00 0.96 H new ATOM 0 HZ PHE A 28 -1.239 4.375 -4.358 1.00 1.00 H new ATOM 472 N VAL A 29 0.064 7.075 0.781 1.00 0.97 N ATOM 473 CA VAL A 29 -1.325 6.756 1.185 1.00 0.92 C ATOM 474 C VAL A 29 -1.950 8.005 1.810 1.00 0.95 C ATOM 475 O VAL A 29 -3.125 8.274 1.654 1.00 0.94 O ATOM 476 CB VAL A 29 -1.315 5.604 2.191 1.00 0.86 C ATOM 477 CG1 VAL A 29 -2.723 5.395 2.749 1.00 0.81 C ATOM 478 CG2 VAL A 29 -0.849 4.323 1.493 1.00 0.85 C ATOM 0 H VAL A 29 0.795 6.627 1.333 1.00 0.97 H new ATOM 0 HA VAL A 29 -1.911 6.452 0.318 1.00 0.92 H new ATOM 0 HB VAL A 29 -0.635 5.844 3.008 1.00 0.86 H new ATOM 0 HG11 VAL A 29 -2.712 4.574 3.465 1.00 0.81 H new ATOM 0 HG12 VAL A 29 -3.056 6.306 3.246 1.00 0.81 H new ATOM 0 HG13 VAL A 29 -3.406 5.156 1.934 1.00 0.81 H new ATOM 0 HG21 VAL A 29 -0.841 3.501 2.209 1.00 0.85 H new ATOM 0 HG22 VAL A 29 -1.530 4.086 0.675 1.00 0.85 H new ATOM 0 HG23 VAL A 29 0.156 4.469 1.097 1.00 0.85 H new ATOM 488 N ASN A 30 -1.159 8.781 2.498 1.00 0.99 N ATOM 489 CA ASN A 30 -1.672 10.027 3.118 1.00 1.03 C ATOM 490 C ASN A 30 -2.111 10.958 1.995 1.00 1.06 C ATOM 491 O ASN A 30 -2.811 11.906 2.205 1.00 1.09 O ATOM 492 CB ASN A 30 -0.558 10.686 3.960 1.00 1.08 C ATOM 493 CG ASN A 30 -1.134 11.268 5.253 1.00 1.08 C ATOM 494 OD1 ASN A 30 -1.307 10.477 6.274 1.00 1.11 O flip ATOM 495 ND2 ASN A 30 -1.426 12.445 5.333 1.00 1.06 N flip ATOM 0 H ASN A 30 -0.168 8.600 2.657 1.00 0.99 H new ATOM 0 HA ASN A 30 -2.514 9.813 3.777 1.00 1.03 H new ATOM 0 HB2 ASN A 30 0.210 9.950 4.197 1.00 1.08 H new ATOM 0 HB3 ASN A 30 -0.076 11.475 3.382 1.00 1.08 H new ATOM 0 HD21 ASN A 30 -1.289 13.060 4.531 1.00 1.06 H new ATOM 0 HD22 ASN A 30 -1.808 12.818 6.202 1.00 1.06 H new ATOM 502 N LYS A 31 -1.691 10.682 0.798 1.00 1.07 N ATOM 503 CA LYS A 31 -2.071 11.546 -0.347 1.00 1.11 C ATOM 504 C LYS A 31 -3.479 11.176 -0.791 1.00 1.06 C ATOM 505 O LYS A 31 -4.382 12.004 -0.800 1.00 1.08 O ATOM 506 CB LYS A 31 -1.087 11.321 -1.507 1.00 1.13 C ATOM 507 CG LYS A 31 -1.166 12.492 -2.507 1.00 1.18 C ATOM 508 CD LYS A 31 -0.237 13.630 -2.065 1.00 1.19 C ATOM 509 CE LYS A 31 -0.248 14.738 -3.120 1.00 1.23 C ATOM 510 NZ LYS A 31 0.716 15.805 -2.727 1.00 1.29 N ATOM 0 H LYS A 31 -1.096 9.888 0.561 1.00 1.07 H new ATOM 0 HA LYS A 31 -2.040 12.595 -0.051 1.00 1.11 H new ATOM 0 HB2 LYS A 31 -0.072 11.231 -1.120 1.00 1.13 H new ATOM 0 HB3 LYS A 31 -1.319 10.384 -2.014 1.00 1.13 H new ATOM 0 HG2 LYS A 31 -0.885 12.149 -3.503 1.00 1.18 H new ATOM 0 HG3 LYS A 31 -2.192 12.855 -2.573 1.00 1.18 H new ATOM 0 HD2 LYS A 31 -0.562 14.026 -1.103 1.00 1.19 H new ATOM 0 HD3 LYS A 31 0.777 13.254 -1.928 1.00 1.19 H new ATOM 0 HE2 LYS A 31 0.021 14.330 -4.094 1.00 1.23 H new ATOM 0 HE3 LYS A 31 -1.251 15.155 -3.215 1.00 1.23 H new ATOM 0 HZ1 LYS A 31 0.710 16.559 -3.443 1.00 1.29 H new ATOM 0 HZ2 LYS A 31 0.440 16.200 -1.806 1.00 1.29 H new ATOM 0 HZ3 LYS A 31 1.672 15.401 -2.658 1.00 1.29 H new ATOM 524 N HIS A 32 -3.698 9.933 -1.134 1.00 1.01 N ATOM 525 CA HIS A 32 -5.037 9.534 -1.546 1.00 0.97 C ATOM 526 C HIS A 32 -5.975 9.832 -0.392 1.00 0.95 C ATOM 527 O HIS A 32 -7.137 10.082 -0.567 1.00 0.95 O ATOM 528 CB HIS A 32 -4.986 8.043 -1.923 1.00 0.91 C ATOM 529 CG HIS A 32 -5.421 7.128 -0.804 1.00 0.93 C ATOM 530 ND1 HIS A 32 -6.677 7.197 -0.231 1.00 0.89 N ATOM 531 CD2 HIS A 32 -4.803 6.053 -0.219 1.00 0.98 C ATOM 532 CE1 HIS A 32 -6.774 6.183 0.652 1.00 0.93 C ATOM 533 NE2 HIS A 32 -5.657 5.460 0.700 1.00 0.98 N ATOM 0 H HIS A 32 -2.997 9.193 -1.140 1.00 1.01 H new ATOM 0 HA HIS A 32 -5.401 10.078 -2.417 1.00 0.97 H new ATOM 0 HB2 HIS A 32 -5.624 7.873 -2.791 1.00 0.91 H new ATOM 0 HB3 HIS A 32 -3.969 7.785 -2.219 1.00 0.91 H new ATOM 0 HD2 HIS A 32 -3.801 5.718 -0.441 1.00 0.98 H new ATOM 0 HE1 HIS A 32 -7.652 5.981 1.248 1.00 0.93 H new ATOM 0 HE2 HIS A 32 -5.470 4.646 1.286 1.00 0.98 H new ATOM 541 N LEU A 33 -5.437 9.849 0.786 1.00 0.95 N ATOM 542 CA LEU A 33 -6.249 10.157 1.994 1.00 0.94 C ATOM 543 C LEU A 33 -6.307 11.667 2.184 1.00 1.01 C ATOM 544 O LEU A 33 -7.369 12.237 2.345 1.00 1.02 O ATOM 545 CB LEU A 33 -5.575 9.529 3.214 1.00 0.92 C ATOM 546 CG LEU A 33 -5.903 8.034 3.340 1.00 0.85 C ATOM 547 CD1 LEU A 33 -5.122 7.453 4.526 1.00 0.82 C ATOM 548 CD2 LEU A 33 -7.415 7.815 3.569 1.00 0.84 C ATOM 0 H LEU A 33 -4.452 9.660 0.971 1.00 0.95 H new ATOM 0 HA LEU A 33 -7.257 9.760 1.876 1.00 0.94 H new ATOM 0 HB2 LEU A 33 -4.495 9.659 3.140 1.00 0.92 H new ATOM 0 HB3 LEU A 33 -5.898 10.049 4.116 1.00 0.92 H new ATOM 0 HG LEU A 33 -5.620 7.534 2.414 1.00 0.85 H new ATOM 0 HD11 LEU A 33 -5.347 6.391 4.625 1.00 0.82 H new ATOM 0 HD12 LEU A 33 -4.053 7.583 4.356 1.00 0.82 H new ATOM 0 HD13 LEU A 33 -5.410 7.972 5.440 1.00 0.82 H new ATOM 0 HD21 LEU A 33 -7.619 6.748 3.655 1.00 0.84 H new ATOM 0 HD22 LEU A 33 -7.721 8.318 4.487 1.00 0.84 H new ATOM 0 HD23 LEU A 33 -7.974 8.225 2.728 1.00 0.84 H new ATOM 560 N ASN A 34 -5.169 12.319 2.190 1.00 1.05 N ATOM 561 CA ASN A 34 -5.160 13.801 2.393 1.00 1.12 C ATOM 562 C ASN A 34 -6.281 14.438 1.573 1.00 1.14 C ATOM 563 O ASN A 34 -6.762 15.503 1.907 1.00 1.18 O ATOM 564 CB ASN A 34 -3.807 14.395 1.970 1.00 1.18 C ATOM 565 CG ASN A 34 -3.902 15.924 1.904 1.00 1.25 C ATOM 566 OD1 ASN A 34 -3.671 16.515 0.868 1.00 1.26 O ATOM 567 ND2 ASN A 34 -4.236 16.591 2.975 1.00 1.29 N ATOM 0 H ASN A 34 -4.252 11.892 2.064 1.00 1.05 H new ATOM 0 HA ASN A 34 -5.317 14.010 3.451 1.00 1.12 H new ATOM 0 HB2 ASN A 34 -3.034 14.101 2.680 1.00 1.18 H new ATOM 0 HB3 ASN A 34 -3.515 13.998 0.998 1.00 1.18 H new ATOM 0 HD21 ASN A 34 -4.303 17.608 2.942 1.00 1.29 H new ATOM 0 HD22 ASN A 34 -4.430 16.095 3.845 1.00 1.29 H new ATOM 574 N LYS A 35 -6.730 13.805 0.518 1.00 1.11 N ATOM 575 CA LYS A 35 -7.839 14.435 -0.246 1.00 1.13 C ATOM 576 C LYS A 35 -9.096 14.385 0.625 1.00 1.11 C ATOM 577 O LYS A 35 -9.753 15.384 0.839 1.00 1.16 O ATOM 578 CB LYS A 35 -8.047 13.688 -1.559 1.00 1.10 C ATOM 579 CG LYS A 35 -7.058 14.226 -2.598 1.00 0.97 C ATOM 580 CD LYS A 35 -7.181 13.429 -3.896 1.00 1.01 C ATOM 581 CE LYS A 35 -6.441 12.095 -3.783 1.00 1.10 C ATOM 582 NZ LYS A 35 -6.239 11.528 -5.144 1.00 1.15 N ATOM 0 H LYS A 35 -6.389 12.911 0.165 1.00 1.11 H new ATOM 0 HA LYS A 35 -7.607 15.472 -0.489 1.00 1.13 H new ATOM 0 HB2 LYS A 35 -7.895 12.619 -1.412 1.00 1.10 H new ATOM 0 HB3 LYS A 35 -9.071 13.820 -1.909 1.00 1.10 H new ATOM 0 HG2 LYS A 35 -7.256 15.281 -2.789 1.00 0.97 H new ATOM 0 HG3 LYS A 35 -6.040 14.157 -2.214 1.00 0.97 H new ATOM 0 HD2 LYS A 35 -8.232 13.250 -4.120 1.00 1.01 H new ATOM 0 HD3 LYS A 35 -6.773 14.008 -4.724 1.00 1.01 H new ATOM 0 HE2 LYS A 35 -5.479 12.240 -3.291 1.00 1.10 H new ATOM 0 HE3 LYS A 35 -7.013 11.400 -3.168 1.00 1.10 H new ATOM 0 HZ1 LYS A 35 -5.860 10.563 -5.065 1.00 1.15 H new ATOM 0 HZ2 LYS A 35 -7.148 11.503 -5.648 1.00 1.15 H new ATOM 0 HZ3 LYS A 35 -5.567 12.122 -5.671 1.00 1.15 H new ATOM 596 N LEU A 36 -9.407 13.241 1.170 1.00 1.04 N ATOM 597 CA LEU A 36 -10.586 13.150 2.074 1.00 1.02 C ATOM 598 C LEU A 36 -10.146 13.747 3.412 1.00 1.05 C ATOM 599 O LEU A 36 -10.841 13.707 4.405 1.00 1.03 O ATOM 600 CB LEU A 36 -10.977 11.676 2.241 1.00 0.95 C ATOM 601 CG LEU A 36 -12.285 11.514 3.042 1.00 0.94 C ATOM 602 CD1 LEU A 36 -13.422 12.336 2.406 1.00 0.97 C ATOM 603 CD2 LEU A 36 -12.674 10.030 3.049 1.00 0.89 C ATOM 0 H LEU A 36 -8.897 12.369 1.029 1.00 1.04 H new ATOM 0 HA LEU A 36 -11.451 13.684 1.680 1.00 1.02 H new ATOM 0 HB2 LEU A 36 -11.094 11.218 1.259 1.00 0.95 H new ATOM 0 HB3 LEU A 36 -10.173 11.142 2.748 1.00 0.95 H new ATOM 0 HG LEU A 36 -12.128 11.874 4.059 1.00 0.94 H new ATOM 0 HD11 LEU A 36 -14.334 12.206 2.988 1.00 0.97 H new ATOM 0 HD12 LEU A 36 -13.146 13.390 2.394 1.00 0.97 H new ATOM 0 HD13 LEU A 36 -13.591 11.994 1.385 1.00 0.97 H new ATOM 0 HD21 LEU A 36 -13.598 9.899 3.612 1.00 0.89 H new ATOM 0 HD22 LEU A 36 -12.822 9.688 2.025 1.00 0.89 H new ATOM 0 HD23 LEU A 36 -11.879 9.448 3.515 1.00 0.89 H new ATOM 615 N ASN A 37 -8.964 14.300 3.407 1.00 1.11 N ATOM 616 CA ASN A 37 -8.370 14.934 4.608 1.00 1.16 C ATOM 617 C ASN A 37 -8.383 13.987 5.800 1.00 1.11 C ATOM 618 O ASN A 37 -9.159 14.111 6.723 1.00 1.12 O ATOM 619 CB ASN A 37 -9.079 16.249 4.917 1.00 1.22 C ATOM 620 CG ASN A 37 -10.473 16.024 5.513 1.00 1.19 C ATOM 621 OD1 ASN A 37 -11.444 15.913 4.790 1.00 1.16 O ATOM 622 ND2 ASN A 37 -10.621 15.980 6.809 1.00 1.21 N ATOM 0 H ASN A 37 -8.365 14.337 2.582 1.00 1.11 H new ATOM 0 HA ASN A 37 -7.324 15.159 4.398 1.00 1.16 H new ATOM 0 HB2 ASN A 37 -8.476 16.831 5.614 1.00 1.22 H new ATOM 0 HB3 ASN A 37 -9.166 16.837 4.003 1.00 1.22 H new ATOM 0 HD21 ASN A 37 -11.549 15.853 7.212 1.00 1.21 H new ATOM 0 HD22 ASN A 37 -9.808 16.073 7.419 1.00 1.21 H new ATOM 629 N LEU A 38 -7.486 13.045 5.778 1.00 1.06 N ATOM 630 CA LEU A 38 -7.371 12.061 6.904 1.00 1.02 C ATOM 631 C LEU A 38 -5.887 11.840 7.223 1.00 1.02 C ATOM 632 O LEU A 38 -5.067 12.711 7.010 1.00 1.06 O ATOM 633 CB LEU A 38 -8.030 10.739 6.506 1.00 0.98 C ATOM 634 CG LEU A 38 -9.543 10.936 6.321 1.00 0.97 C ATOM 635 CD1 LEU A 38 -10.143 9.662 5.721 1.00 0.96 C ATOM 636 CD2 LEU A 38 -10.216 11.240 7.676 1.00 1.02 C ATOM 0 H LEU A 38 -6.816 12.907 5.021 1.00 1.06 H new ATOM 0 HA LEU A 38 -7.877 12.449 7.788 1.00 1.02 H new ATOM 0 HB2 LEU A 38 -7.588 10.368 5.581 1.00 0.98 H new ATOM 0 HB3 LEU A 38 -7.845 9.986 7.272 1.00 0.98 H new ATOM 0 HG LEU A 38 -9.716 11.779 5.652 1.00 0.97 H new ATOM 0 HD11 LEU A 38 -11.217 9.794 5.587 1.00 0.96 H new ATOM 0 HD12 LEU A 38 -9.678 9.461 4.756 1.00 0.96 H new ATOM 0 HD13 LEU A 38 -9.962 8.823 6.393 1.00 0.96 H new ATOM 0 HD21 LEU A 38 -11.287 11.377 7.528 1.00 1.02 H new ATOM 0 HD22 LEU A 38 -10.048 10.409 8.360 1.00 1.02 H new ATOM 0 HD23 LEU A 38 -9.789 12.150 8.098 1.00 1.02 H new ATOM 648 N GLU A 39 -5.529 10.696 7.743 1.00 1.02 N ATOM 649 CA GLU A 39 -4.095 10.456 8.080 1.00 1.03 C ATOM 650 C GLU A 39 -3.851 8.968 8.369 1.00 0.98 C ATOM 651 O GLU A 39 -4.419 8.398 9.279 1.00 0.95 O ATOM 652 CB GLU A 39 -3.727 11.279 9.320 1.00 1.08 C ATOM 653 CG GLU A 39 -2.202 11.385 9.441 1.00 1.11 C ATOM 654 CD GLU A 39 -1.670 12.419 8.443 1.00 1.16 C ATOM 655 OE1 GLU A 39 -2.401 13.342 8.125 1.00 1.24 O ATOM 656 OE2 GLU A 39 -0.537 12.269 8.016 1.00 1.13 O ATOM 0 H GLU A 39 -6.162 9.923 7.948 1.00 1.02 H new ATOM 0 HA GLU A 39 -3.478 10.754 7.233 1.00 1.03 H new ATOM 0 HB2 GLU A 39 -4.165 12.275 9.250 1.00 1.08 H new ATOM 0 HB3 GLU A 39 -4.140 10.811 10.214 1.00 1.08 H new ATOM 0 HG2 GLU A 39 -1.928 11.672 10.456 1.00 1.11 H new ATOM 0 HG3 GLU A 39 -1.745 10.414 9.250 1.00 1.11 H new ATOM 663 N VAL A 40 -2.995 8.344 7.602 1.00 0.98 N ATOM 664 CA VAL A 40 -2.683 6.892 7.823 1.00 0.94 C ATOM 665 C VAL A 40 -1.473 6.773 8.758 1.00 0.95 C ATOM 666 O VAL A 40 -0.702 7.700 8.908 1.00 0.99 O ATOM 667 CB VAL A 40 -2.362 6.235 6.473 1.00 0.91 C ATOM 668 CG1 VAL A 40 -1.312 7.077 5.703 1.00 0.94 C ATOM 669 CG2 VAL A 40 -1.839 4.808 6.708 1.00 0.89 C ATOM 0 H VAL A 40 -2.494 8.777 6.826 1.00 0.98 H new ATOM 0 HA VAL A 40 -3.540 6.392 8.275 1.00 0.94 H new ATOM 0 HB VAL A 40 -3.270 6.187 5.871 1.00 0.91 H new ATOM 0 HG11 VAL A 40 -1.093 6.600 4.748 1.00 0.94 H new ATOM 0 HG12 VAL A 40 -1.706 8.078 5.527 1.00 0.94 H new ATOM 0 HG13 VAL A 40 -0.398 7.145 6.292 1.00 0.94 H new ATOM 0 HG21 VAL A 40 -1.611 4.342 5.750 1.00 0.89 H new ATOM 0 HG22 VAL A 40 -0.935 4.847 7.316 1.00 0.89 H new ATOM 0 HG23 VAL A 40 -2.599 4.222 7.225 1.00 0.89 H new ATOM 679 N THR A 41 -1.307 5.637 9.397 1.00 0.93 N ATOM 680 CA THR A 41 -0.149 5.457 10.335 1.00 0.95 C ATOM 681 C THR A 41 0.430 4.043 10.210 1.00 0.91 C ATOM 682 O THR A 41 1.587 3.817 10.508 1.00 0.96 O ATOM 683 CB THR A 41 -0.637 5.657 11.778 1.00 1.01 C ATOM 684 OG1 THR A 41 -1.657 6.645 11.798 1.00 1.12 O ATOM 685 CG2 THR A 41 0.527 6.102 12.670 1.00 1.20 C ATOM 0 H THR A 41 -1.922 4.828 9.310 1.00 0.93 H new ATOM 0 HA THR A 41 0.622 6.185 10.083 1.00 0.95 H new ATOM 0 HB THR A 41 -1.032 4.714 12.156 1.00 1.01 H new ATOM 0 HG1 THR A 41 -1.971 6.773 12.718 1.00 1.12 H new ATOM 0 HG21 THR A 41 0.171 6.241 13.691 1.00 1.20 H new ATOM 0 HG22 THR A 41 1.306 5.340 12.658 1.00 1.20 H new ATOM 0 HG23 THR A 41 0.933 7.042 12.296 1.00 1.20 H new ATOM 693 N GLU A 42 -0.369 3.085 9.808 1.00 0.86 N ATOM 694 CA GLU A 42 0.131 1.675 9.698 1.00 0.83 C ATOM 695 C GLU A 42 -0.073 1.150 8.281 1.00 0.81 C ATOM 696 O GLU A 42 -1.022 0.449 8.001 1.00 0.88 O ATOM 697 CB GLU A 42 -0.644 0.791 10.676 1.00 0.78 C ATOM 698 CG GLU A 42 -0.361 1.244 12.110 1.00 0.77 C ATOM 699 CD GLU A 42 -1.134 0.358 13.087 1.00 0.78 C ATOM 700 OE1 GLU A 42 -1.114 -0.848 12.905 1.00 0.83 O ATOM 701 OE2 GLU A 42 -1.733 0.900 14.002 1.00 0.84 O ATOM 0 H GLU A 42 -1.347 3.217 9.551 1.00 0.86 H new ATOM 0 HA GLU A 42 1.195 1.656 9.934 1.00 0.83 H new ATOM 0 HB2 GLU A 42 -1.712 0.851 10.469 1.00 0.78 H new ATOM 0 HB3 GLU A 42 -0.353 -0.252 10.549 1.00 0.78 H new ATOM 0 HG2 GLU A 42 0.708 1.185 12.317 1.00 0.77 H new ATOM 0 HG3 GLU A 42 -0.654 2.286 12.238 1.00 0.77 H new ATOM 708 N LEU A 43 0.823 1.459 7.390 1.00 0.80 N ATOM 709 CA LEU A 43 0.684 0.957 5.999 1.00 0.78 C ATOM 710 C LEU A 43 0.520 -0.565 6.050 1.00 0.74 C ATOM 711 O LEU A 43 -0.310 -1.148 5.377 1.00 0.70 O ATOM 712 CB LEU A 43 1.947 1.355 5.215 1.00 0.86 C ATOM 713 CG LEU A 43 1.973 0.728 3.811 1.00 0.83 C ATOM 714 CD1 LEU A 43 2.318 -0.778 3.867 1.00 0.85 C ATOM 715 CD2 LEU A 43 0.615 0.943 3.127 1.00 0.90 C ATOM 0 H LEU A 43 1.645 2.037 7.565 1.00 0.80 H new ATOM 0 HA LEU A 43 -0.187 1.385 5.502 1.00 0.78 H new ATOM 0 HB2 LEU A 43 1.993 2.441 5.128 1.00 0.86 H new ATOM 0 HB3 LEU A 43 2.832 1.041 5.769 1.00 0.86 H new ATOM 0 HG LEU A 43 2.754 1.219 3.231 1.00 0.83 H new ATOM 0 HD11 LEU A 43 2.327 -1.187 2.857 1.00 0.85 H new ATOM 0 HD12 LEU A 43 3.300 -0.910 4.321 1.00 0.85 H new ATOM 0 HD13 LEU A 43 1.570 -1.301 4.463 1.00 0.85 H new ATOM 0 HD21 LEU A 43 0.634 0.498 2.132 1.00 0.90 H new ATOM 0 HD22 LEU A 43 -0.169 0.472 3.720 1.00 0.90 H new ATOM 0 HD23 LEU A 43 0.415 2.011 3.043 1.00 0.90 H new ATOM 727 N GLU A 44 1.313 -1.218 6.842 1.00 0.79 N ATOM 728 CA GLU A 44 1.210 -2.705 6.930 1.00 0.77 C ATOM 729 C GLU A 44 -0.244 -3.145 7.231 1.00 0.69 C ATOM 730 O GLU A 44 -0.879 -3.866 6.475 1.00 0.70 O ATOM 731 CB GLU A 44 2.138 -3.212 8.058 1.00 0.83 C ATOM 732 CG GLU A 44 3.118 -2.117 8.466 1.00 0.84 C ATOM 733 CD GLU A 44 4.142 -2.686 9.449 1.00 0.99 C ATOM 734 OE1 GLU A 44 4.100 -3.881 9.692 1.00 1.14 O ATOM 735 OE2 GLU A 44 4.952 -1.918 9.942 1.00 1.11 O ATOM 0 H GLU A 44 2.028 -0.794 7.433 1.00 0.79 H new ATOM 0 HA GLU A 44 1.509 -3.130 5.972 1.00 0.77 H new ATOM 0 HB2 GLU A 44 1.543 -3.517 8.919 1.00 0.83 H new ATOM 0 HB3 GLU A 44 2.685 -4.092 7.721 1.00 0.83 H new ATOM 0 HG2 GLU A 44 3.625 -1.722 7.586 1.00 0.84 H new ATOM 0 HG3 GLU A 44 2.581 -1.287 8.924 1.00 0.84 H new ATOM 742 N THR A 45 -0.754 -2.739 8.352 1.00 0.65 N ATOM 743 CA THR A 45 -2.131 -3.149 8.748 1.00 0.60 C ATOM 744 C THR A 45 -3.181 -2.418 7.919 1.00 0.58 C ATOM 745 O THR A 45 -4.363 -2.639 8.080 1.00 0.58 O ATOM 746 CB THR A 45 -2.352 -2.830 10.229 1.00 0.65 C ATOM 747 OG1 THR A 45 -2.350 -1.421 10.413 1.00 0.84 O ATOM 748 CG2 THR A 45 -1.237 -3.459 11.065 1.00 0.64 C ATOM 0 H THR A 45 -0.275 -2.135 9.020 1.00 0.65 H new ATOM 0 HA THR A 45 -2.232 -4.220 8.572 1.00 0.60 H new ATOM 0 HB THR A 45 -3.311 -3.238 10.548 1.00 0.65 H new ATOM 0 HG1 THR A 45 -2.061 -1.211 11.326 1.00 0.84 H new ATOM 0 HG21 THR A 45 -1.398 -3.229 12.118 1.00 0.64 H new ATOM 0 HG22 THR A 45 -1.242 -4.540 10.924 1.00 0.64 H new ATOM 0 HG23 THR A 45 -0.274 -3.057 10.749 1.00 0.64 H new ATOM 756 N GLN A 46 -2.787 -1.559 7.026 1.00 0.59 N ATOM 757 CA GLN A 46 -3.804 -0.856 6.221 1.00 0.59 C ATOM 758 C GLN A 46 -4.345 -1.832 5.196 1.00 0.54 C ATOM 759 O GLN A 46 -5.439 -1.675 4.690 1.00 0.58 O ATOM 760 CB GLN A 46 -3.194 0.371 5.536 1.00 0.65 C ATOM 761 CG GLN A 46 -3.139 1.547 6.539 1.00 0.66 C ATOM 762 CD GLN A 46 -4.329 2.492 6.323 1.00 0.78 C ATOM 763 OE1 GLN A 46 -4.548 2.972 5.229 1.00 0.81 O ATOM 764 NE2 GLN A 46 -5.109 2.778 7.329 1.00 1.04 N ATOM 0 H GLN A 46 -1.817 -1.319 6.824 1.00 0.59 H new ATOM 0 HA GLN A 46 -4.613 -0.502 6.861 1.00 0.59 H new ATOM 0 HB2 GLN A 46 -2.192 0.139 5.176 1.00 0.65 H new ATOM 0 HB3 GLN A 46 -3.789 0.649 4.666 1.00 0.65 H new ATOM 0 HG2 GLN A 46 -3.152 1.164 7.559 1.00 0.66 H new ATOM 0 HG3 GLN A 46 -2.205 2.095 6.416 1.00 0.66 H new ATOM 0 HE21 GLN A 46 -4.925 2.375 8.248 1.00 1.04 H new ATOM 0 HE22 GLN A 46 -5.903 3.405 7.197 1.00 1.04 H new ATOM 773 N PHE A 47 -3.602 -2.873 4.907 1.00 0.50 N ATOM 774 CA PHE A 47 -4.091 -3.878 3.951 1.00 0.49 C ATOM 775 C PHE A 47 -4.794 -4.942 4.761 1.00 0.46 C ATOM 776 O PHE A 47 -5.551 -5.736 4.249 1.00 0.49 O ATOM 777 CB PHE A 47 -2.918 -4.477 3.185 1.00 0.54 C ATOM 778 CG PHE A 47 -2.517 -3.541 2.066 1.00 0.63 C ATOM 779 CD1 PHE A 47 -1.979 -2.285 2.367 1.00 0.75 C ATOM 780 CD2 PHE A 47 -2.682 -3.927 0.730 1.00 0.71 C ATOM 781 CE1 PHE A 47 -1.607 -1.417 1.335 1.00 0.87 C ATOM 782 CE2 PHE A 47 -2.307 -3.060 -0.302 1.00 0.83 C ATOM 783 CZ PHE A 47 -1.770 -1.805 0.000 1.00 0.89 C ATOM 0 H PHE A 47 -2.679 -3.058 5.300 1.00 0.50 H new ATOM 0 HA PHE A 47 -4.770 -3.436 3.222 1.00 0.49 H new ATOM 0 HB2 PHE A 47 -2.076 -4.640 3.857 1.00 0.54 H new ATOM 0 HB3 PHE A 47 -3.194 -5.450 2.779 1.00 0.54 H new ATOM 0 HD1 PHE A 47 -1.851 -1.985 3.397 1.00 0.75 H new ATOM 0 HD2 PHE A 47 -3.099 -4.895 0.496 1.00 0.71 H new ATOM 0 HE1 PHE A 47 -1.194 -0.447 1.568 1.00 0.87 H new ATOM 0 HE2 PHE A 47 -2.432 -3.360 -1.332 1.00 0.83 H new ATOM 0 HZ PHE A 47 -1.481 -1.135 -0.796 1.00 0.89 H new ATOM 793 N ALA A 48 -4.578 -4.920 6.043 1.00 0.42 N ATOM 794 CA ALA A 48 -5.262 -5.898 6.939 1.00 0.40 C ATOM 795 C ALA A 48 -6.753 -5.585 6.937 1.00 0.36 C ATOM 796 O ALA A 48 -7.467 -5.829 7.890 1.00 0.36 O ATOM 797 CB ALA A 48 -4.712 -5.804 8.364 1.00 0.42 C ATOM 0 H ALA A 48 -3.955 -4.265 6.515 1.00 0.42 H new ATOM 0 HA ALA A 48 -5.085 -6.911 6.577 1.00 0.40 H new ATOM 0 HB1 ALA A 48 -5.225 -6.526 9.000 1.00 0.42 H new ATOM 0 HB2 ALA A 48 -3.644 -6.021 8.357 1.00 0.42 H new ATOM 0 HB3 ALA A 48 -4.875 -4.798 8.751 1.00 0.42 H new ATOM 803 N ASP A 49 -7.211 -5.032 5.859 1.00 0.34 N ATOM 804 CA ASP A 49 -8.637 -4.674 5.730 1.00 0.32 C ATOM 805 C ASP A 49 -8.926 -4.380 4.259 1.00 0.31 C ATOM 806 O ASP A 49 -10.038 -4.518 3.792 1.00 0.31 O ATOM 807 CB ASP A 49 -8.913 -3.432 6.576 1.00 0.32 C ATOM 808 CG ASP A 49 -8.195 -2.220 5.972 1.00 0.33 C ATOM 809 OD1 ASP A 49 -8.574 -1.813 4.886 1.00 0.36 O ATOM 810 OD2 ASP A 49 -7.280 -1.722 6.606 1.00 0.34 O ATOM 0 H ASP A 49 -6.641 -4.808 5.043 1.00 0.34 H new ATOM 0 HA ASP A 49 -9.274 -5.489 6.074 1.00 0.32 H new ATOM 0 HB2 ASP A 49 -9.986 -3.244 6.623 1.00 0.32 H new ATOM 0 HB3 ASP A 49 -8.573 -3.595 7.599 1.00 0.32 H new ATOM 815 N GLY A 50 -7.918 -3.983 3.523 1.00 0.32 N ATOM 816 CA GLY A 50 -8.115 -3.676 2.070 1.00 0.33 C ATOM 817 C GLY A 50 -9.141 -2.539 1.876 1.00 0.33 C ATOM 818 O GLY A 50 -9.136 -1.849 0.874 1.00 0.34 O ATOM 0 H GLY A 50 -6.965 -3.858 3.865 1.00 0.32 H new ATOM 0 HA2 GLY A 50 -7.163 -3.391 1.623 1.00 0.33 H new ATOM 0 HA3 GLY A 50 -8.456 -4.571 1.549 1.00 0.33 H new ATOM 822 N VAL A 51 -10.026 -2.337 2.810 1.00 0.33 N ATOM 823 CA VAL A 51 -11.040 -1.261 2.649 1.00 0.36 C ATOM 824 C VAL A 51 -10.343 0.058 2.356 1.00 0.40 C ATOM 825 O VAL A 51 -10.546 0.657 1.324 1.00 0.42 O ATOM 826 CB VAL A 51 -11.827 -1.112 3.942 1.00 0.37 C ATOM 827 CG1 VAL A 51 -13.019 -0.179 3.710 1.00 0.43 C ATOM 828 CG2 VAL A 51 -12.328 -2.482 4.407 1.00 0.36 C ATOM 0 H VAL A 51 -10.091 -2.870 3.677 1.00 0.33 H new ATOM 0 HA VAL A 51 -11.708 -1.521 1.828 1.00 0.36 H new ATOM 0 HB VAL A 51 -11.179 -0.690 4.710 1.00 0.37 H new ATOM 0 HG11 VAL A 51 -13.583 -0.072 4.637 1.00 0.43 H new ATOM 0 HG12 VAL A 51 -12.659 0.799 3.390 1.00 0.43 H new ATOM 0 HG13 VAL A 51 -13.665 -0.599 2.938 1.00 0.43 H new ATOM 0 HG21 VAL A 51 -12.891 -2.368 5.333 1.00 0.36 H new ATOM 0 HG22 VAL A 51 -12.973 -2.913 3.641 1.00 0.36 H new ATOM 0 HG23 VAL A 51 -11.477 -3.142 4.578 1.00 0.36 H new ATOM 838 N TYR A 52 -9.508 0.516 3.254 1.00 0.41 N ATOM 839 CA TYR A 52 -8.788 1.801 3.013 1.00 0.47 C ATOM 840 C TYR A 52 -8.217 1.774 1.597 1.00 0.47 C ATOM 841 O TYR A 52 -7.859 2.788 1.028 1.00 0.51 O ATOM 842 CB TYR A 52 -7.650 1.951 4.029 1.00 0.49 C ATOM 843 CG TYR A 52 -8.210 2.408 5.357 1.00 0.51 C ATOM 844 CD1 TYR A 52 -8.537 3.755 5.550 1.00 0.57 C ATOM 845 CD2 TYR A 52 -8.401 1.486 6.394 1.00 0.48 C ATOM 846 CE1 TYR A 52 -9.054 4.181 6.778 1.00 0.60 C ATOM 847 CE2 TYR A 52 -8.919 1.913 7.623 1.00 0.51 C ATOM 848 CZ TYR A 52 -9.246 3.260 7.814 1.00 0.57 C ATOM 849 OH TYR A 52 -9.756 3.681 9.025 1.00 0.60 O ATOM 0 H TYR A 52 -9.295 0.057 4.140 1.00 0.41 H new ATOM 0 HA TYR A 52 -9.471 2.643 3.124 1.00 0.47 H new ATOM 0 HB2 TYR A 52 -7.130 1.001 4.150 1.00 0.49 H new ATOM 0 HB3 TYR A 52 -6.917 2.671 3.665 1.00 0.49 H new ATOM 0 HD1 TYR A 52 -8.390 4.466 4.750 1.00 0.57 H new ATOM 0 HD2 TYR A 52 -8.149 0.446 6.246 1.00 0.48 H new ATOM 0 HE1 TYR A 52 -9.305 5.221 6.927 1.00 0.60 H new ATOM 0 HE2 TYR A 52 -9.066 1.203 8.423 1.00 0.51 H new ATOM 0 HH TYR A 52 -9.827 2.916 9.634 1.00 0.60 H new ATOM 859 N LEU A 53 -8.156 0.608 1.016 1.00 0.43 N ATOM 860 CA LEU A 53 -7.631 0.504 -0.374 1.00 0.44 C ATOM 861 C LEU A 53 -8.740 0.929 -1.344 1.00 0.45 C ATOM 862 O LEU A 53 -8.518 1.705 -2.253 1.00 0.50 O ATOM 863 CB LEU A 53 -7.170 -0.942 -0.643 1.00 0.41 C ATOM 864 CG LEU A 53 -5.942 -0.979 -1.585 1.00 0.44 C ATOM 865 CD1 LEU A 53 -4.740 -0.223 -0.959 1.00 0.44 C ATOM 866 CD2 LEU A 53 -5.557 -2.455 -1.865 1.00 0.46 C ATOM 0 H LEU A 53 -8.445 -0.273 1.441 1.00 0.43 H new ATOM 0 HA LEU A 53 -6.771 1.159 -0.514 1.00 0.44 H new ATOM 0 HB2 LEU A 53 -6.921 -1.427 0.301 1.00 0.41 H new ATOM 0 HB3 LEU A 53 -7.988 -1.509 -1.087 1.00 0.41 H new ATOM 0 HG LEU A 53 -6.200 -0.483 -2.521 1.00 0.44 H new ATOM 0 HD11 LEU A 53 -3.890 -0.264 -1.640 1.00 0.44 H new ATOM 0 HD12 LEU A 53 -5.015 0.817 -0.784 1.00 0.44 H new ATOM 0 HD13 LEU A 53 -4.469 -0.691 -0.012 1.00 0.44 H new ATOM 0 HD21 LEU A 53 -4.692 -2.486 -2.528 1.00 0.46 H new ATOM 0 HD22 LEU A 53 -5.312 -2.952 -0.926 1.00 0.46 H new ATOM 0 HD23 LEU A 53 -6.395 -2.966 -2.338 1.00 0.46 H new ATOM 878 N VAL A 54 -9.948 0.466 -1.158 1.00 0.43 N ATOM 879 CA VAL A 54 -11.025 0.923 -2.087 1.00 0.46 C ATOM 880 C VAL A 54 -11.056 2.447 -2.012 1.00 0.51 C ATOM 881 O VAL A 54 -11.267 3.137 -2.990 1.00 0.55 O ATOM 882 CB VAL A 54 -12.389 0.324 -1.672 1.00 0.44 C ATOM 883 CG1 VAL A 54 -13.073 1.176 -0.598 1.00 0.49 C ATOM 884 CG2 VAL A 54 -13.325 0.239 -2.888 1.00 0.41 C ATOM 0 H VAL A 54 -10.231 -0.188 -0.428 1.00 0.43 H new ATOM 0 HA VAL A 54 -10.828 0.592 -3.107 1.00 0.46 H new ATOM 0 HB VAL A 54 -12.195 -0.671 -1.270 1.00 0.44 H new ATOM 0 HG11 VAL A 54 -14.029 0.726 -0.330 1.00 0.49 H new ATOM 0 HG12 VAL A 54 -12.436 1.228 0.285 1.00 0.49 H new ATOM 0 HG13 VAL A 54 -13.241 2.181 -0.984 1.00 0.49 H new ATOM 0 HG21 VAL A 54 -14.282 -0.184 -2.582 1.00 0.41 H new ATOM 0 HG22 VAL A 54 -13.484 1.237 -3.295 1.00 0.41 H new ATOM 0 HG23 VAL A 54 -12.874 -0.396 -3.650 1.00 0.41 H new ATOM 894 N LEU A 55 -10.822 2.965 -0.838 1.00 0.52 N ATOM 895 CA LEU A 55 -10.809 4.444 -0.669 1.00 0.58 C ATOM 896 C LEU A 55 -9.770 5.028 -1.640 1.00 0.62 C ATOM 897 O LEU A 55 -10.071 5.913 -2.396 1.00 0.66 O ATOM 898 CB LEU A 55 -10.437 4.821 0.786 1.00 0.59 C ATOM 899 CG LEU A 55 -11.692 5.010 1.663 1.00 0.60 C ATOM 900 CD1 LEU A 55 -12.538 6.199 1.164 1.00 0.58 C ATOM 901 CD2 LEU A 55 -12.527 3.728 1.653 1.00 0.67 C ATOM 0 H LEU A 55 -10.640 2.429 0.010 1.00 0.52 H new ATOM 0 HA LEU A 55 -11.799 4.848 -0.881 1.00 0.58 H new ATOM 0 HB2 LEU A 55 -9.807 4.041 1.215 1.00 0.59 H new ATOM 0 HB3 LEU A 55 -9.851 5.740 0.786 1.00 0.59 H new ATOM 0 HG LEU A 55 -11.373 5.225 2.683 1.00 0.60 H new ATOM 0 HD11 LEU A 55 -13.417 6.312 1.798 1.00 0.58 H new ATOM 0 HD12 LEU A 55 -11.943 7.111 1.204 1.00 0.58 H new ATOM 0 HD13 LEU A 55 -12.853 6.016 0.137 1.00 0.58 H new ATOM 0 HD21 LEU A 55 -13.412 3.866 2.274 1.00 0.67 H new ATOM 0 HD22 LEU A 55 -12.832 3.500 0.632 1.00 0.67 H new ATOM 0 HD23 LEU A 55 -11.933 2.904 2.047 1.00 0.67 H new ATOM 913 N LEU A 56 -8.555 4.522 -1.638 1.00 0.62 N ATOM 914 CA LEU A 56 -7.508 5.048 -2.581 1.00 0.66 C ATOM 915 C LEU A 56 -8.134 5.211 -3.958 1.00 0.67 C ATOM 916 O LEU A 56 -8.144 6.277 -4.530 1.00 0.72 O ATOM 917 CB LEU A 56 -6.332 4.036 -2.628 1.00 0.65 C ATOM 918 CG LEU A 56 -5.537 4.109 -3.948 1.00 0.69 C ATOM 919 CD1 LEU A 56 -4.982 5.517 -4.153 1.00 0.72 C ATOM 920 CD2 LEU A 56 -4.369 3.121 -3.875 1.00 0.66 C ATOM 0 H LEU A 56 -8.243 3.769 -1.025 1.00 0.62 H new ATOM 0 HA LEU A 56 -7.130 6.014 -2.248 1.00 0.66 H new ATOM 0 HB2 LEU A 56 -5.659 4.228 -1.792 1.00 0.65 H new ATOM 0 HB3 LEU A 56 -6.721 3.026 -2.498 1.00 0.65 H new ATOM 0 HG LEU A 56 -6.197 3.861 -4.779 1.00 0.69 H new ATOM 0 HD11 LEU A 56 -4.423 5.555 -5.088 1.00 0.72 H new ATOM 0 HD12 LEU A 56 -5.805 6.230 -4.193 1.00 0.72 H new ATOM 0 HD13 LEU A 56 -4.321 5.772 -3.325 1.00 0.72 H new ATOM 0 HD21 LEU A 56 -3.799 3.163 -4.803 1.00 0.66 H new ATOM 0 HD22 LEU A 56 -3.721 3.384 -3.039 1.00 0.66 H new ATOM 0 HD23 LEU A 56 -4.755 2.112 -3.731 1.00 0.66 H new ATOM 932 N MET A 57 -8.656 4.154 -4.480 1.00 0.62 N ATOM 933 CA MET A 57 -9.282 4.215 -5.835 1.00 0.63 C ATOM 934 C MET A 57 -10.211 5.433 -5.961 1.00 0.68 C ATOM 935 O MET A 57 -10.211 6.129 -6.963 1.00 0.72 O ATOM 936 CB MET A 57 -10.091 2.938 -6.072 1.00 0.58 C ATOM 937 CG MET A 57 -9.185 1.718 -5.890 1.00 0.55 C ATOM 938 SD MET A 57 -10.002 0.253 -6.571 1.00 0.60 S ATOM 939 CE MET A 57 -9.300 0.349 -8.236 1.00 0.57 C ATOM 0 H MET A 57 -8.682 3.238 -4.032 1.00 0.62 H new ATOM 0 HA MET A 57 -8.490 4.307 -6.578 1.00 0.63 H new ATOM 0 HB2 MET A 57 -10.927 2.890 -5.375 1.00 0.58 H new ATOM 0 HB3 MET A 57 -10.513 2.944 -7.077 1.00 0.58 H new ATOM 0 HG2 MET A 57 -8.231 1.882 -6.392 1.00 0.55 H new ATOM 0 HG3 MET A 57 -8.967 1.568 -4.833 1.00 0.55 H new ATOM 0 HE1 MET A 57 -9.678 -0.477 -8.838 1.00 0.57 H new ATOM 0 HE2 MET A 57 -9.585 1.295 -8.697 1.00 0.57 H new ATOM 0 HE3 MET A 57 -8.213 0.287 -8.177 1.00 0.57 H new ATOM 949 N GLY A 58 -11.025 5.681 -4.974 1.00 0.67 N ATOM 950 CA GLY A 58 -11.979 6.825 -5.064 1.00 0.73 C ATOM 951 C GLY A 58 -11.284 8.176 -4.894 1.00 0.79 C ATOM 952 O GLY A 58 -11.396 9.044 -5.730 1.00 0.84 O ATOM 0 H GLY A 58 -11.072 5.143 -4.109 1.00 0.67 H new ATOM 0 HA2 GLY A 58 -12.485 6.798 -6.029 1.00 0.73 H new ATOM 0 HA3 GLY A 58 -12.747 6.715 -4.299 1.00 0.73 H new ATOM 956 N LEU A 59 -10.590 8.370 -3.821 1.00 0.79 N ATOM 957 CA LEU A 59 -9.915 9.676 -3.599 1.00 0.86 C ATOM 958 C LEU A 59 -9.019 9.974 -4.790 1.00 0.88 C ATOM 959 O LEU A 59 -8.634 11.099 -5.038 1.00 0.94 O ATOM 960 CB LEU A 59 -9.144 9.641 -2.263 1.00 0.86 C ATOM 961 CG LEU A 59 -10.065 9.029 -1.169 1.00 0.82 C ATOM 962 CD1 LEU A 59 -9.500 9.286 0.233 1.00 0.82 C ATOM 963 CD2 LEU A 59 -11.474 9.646 -1.243 1.00 0.87 C ATOM 0 H LEU A 59 -10.457 7.681 -3.081 1.00 0.79 H new ATOM 0 HA LEU A 59 -10.643 10.484 -3.522 1.00 0.86 H new ATOM 0 HB2 LEU A 59 -8.236 9.048 -2.367 1.00 0.86 H new ATOM 0 HB3 LEU A 59 -8.837 10.647 -1.978 1.00 0.86 H new ATOM 0 HG LEU A 59 -10.116 7.956 -1.351 1.00 0.82 H new ATOM 0 HD11 LEU A 59 -10.163 8.848 0.979 1.00 0.82 H new ATOM 0 HD12 LEU A 59 -8.512 8.833 0.316 1.00 0.82 H new ATOM 0 HD13 LEU A 59 -9.423 10.360 0.403 1.00 0.82 H new ATOM 0 HD21 LEU A 59 -12.105 9.206 -0.471 1.00 0.87 H new ATOM 0 HD22 LEU A 59 -11.408 10.723 -1.088 1.00 0.87 H new ATOM 0 HD23 LEU A 59 -11.908 9.446 -2.223 1.00 0.87 H new ATOM 975 N LEU A 60 -8.740 8.972 -5.556 1.00 0.84 N ATOM 976 CA LEU A 60 -7.924 9.166 -6.784 1.00 0.87 C ATOM 977 C LEU A 60 -8.823 9.845 -7.818 1.00 0.91 C ATOM 978 O LEU A 60 -8.522 10.906 -8.329 1.00 0.96 O ATOM 979 CB LEU A 60 -7.461 7.798 -7.315 1.00 0.82 C ATOM 980 CG LEU A 60 -6.227 7.951 -8.215 1.00 0.87 C ATOM 981 CD1 LEU A 60 -5.938 6.613 -8.898 1.00 0.83 C ATOM 982 CD2 LEU A 60 -6.471 9.014 -9.290 1.00 0.91 C ATOM 0 H LEU A 60 -9.043 8.013 -5.387 1.00 0.84 H new ATOM 0 HA LEU A 60 -7.042 9.773 -6.578 1.00 0.87 H new ATOM 0 HB2 LEU A 60 -7.227 7.139 -6.479 1.00 0.82 H new ATOM 0 HB3 LEU A 60 -8.269 7.328 -7.875 1.00 0.82 H new ATOM 0 HG LEU A 60 -5.380 8.257 -7.600 1.00 0.87 H new ATOM 0 HD11 LEU A 60 -5.062 6.714 -9.539 1.00 0.83 H new ATOM 0 HD12 LEU A 60 -5.748 5.852 -8.141 1.00 0.83 H new ATOM 0 HD13 LEU A 60 -6.797 6.319 -9.501 1.00 0.83 H new ATOM 0 HD21 LEU A 60 -5.585 9.107 -9.917 1.00 0.91 H new ATOM 0 HD22 LEU A 60 -7.322 8.721 -9.905 1.00 0.91 H new ATOM 0 HD23 LEU A 60 -6.681 9.972 -8.814 1.00 0.91 H new ATOM 994 N GLU A 61 -9.934 9.230 -8.125 1.00 0.87 N ATOM 995 CA GLU A 61 -10.865 9.823 -9.126 1.00 0.91 C ATOM 996 C GLU A 61 -11.722 10.916 -8.475 1.00 0.96 C ATOM 997 O GLU A 61 -12.157 11.840 -9.133 1.00 1.00 O ATOM 998 CB GLU A 61 -11.777 8.725 -9.678 1.00 0.86 C ATOM 999 CG GLU A 61 -10.923 7.601 -10.268 1.00 0.82 C ATOM 1000 CD GLU A 61 -11.832 6.491 -10.798 1.00 0.77 C ATOM 1001 OE1 GLU A 61 -12.625 5.981 -10.023 1.00 0.74 O ATOM 1002 OE2 GLU A 61 -11.720 6.168 -11.969 1.00 0.77 O ATOM 0 H GLU A 61 -10.236 8.342 -7.725 1.00 0.87 H new ATOM 0 HA GLU A 61 -10.283 10.266 -9.934 1.00 0.91 H new ATOM 0 HB2 GLU A 61 -12.414 8.334 -8.885 1.00 0.86 H new ATOM 0 HB3 GLU A 61 -12.436 9.135 -10.443 1.00 0.86 H new ATOM 0 HG2 GLU A 61 -10.299 7.989 -11.073 1.00 0.82 H new ATOM 0 HG3 GLU A 61 -10.252 7.203 -9.507 1.00 0.82 H new ATOM 1009 N GLY A 62 -11.972 10.828 -7.194 1.00 0.95 N ATOM 1010 CA GLY A 62 -12.807 11.870 -6.531 1.00 1.01 C ATOM 1011 C GLY A 62 -14.285 11.623 -6.844 1.00 1.00 C ATOM 1012 O GLY A 62 -15.025 12.533 -7.161 1.00 1.03 O ATOM 0 H GLY A 62 -11.636 10.084 -6.583 1.00 0.95 H new ATOM 0 HA2 GLY A 62 -12.645 11.848 -5.453 1.00 1.01 H new ATOM 0 HA3 GLY A 62 -12.513 12.861 -6.878 1.00 1.01 H new ATOM 1016 N TYR A 63 -14.718 10.393 -6.755 1.00 0.96 N ATOM 1017 CA TYR A 63 -16.153 10.062 -7.043 1.00 0.95 C ATOM 1018 C TYR A 63 -16.647 9.038 -6.012 1.00 0.93 C ATOM 1019 O TYR A 63 -15.904 8.590 -5.161 1.00 0.89 O ATOM 1020 CB TYR A 63 -16.268 9.465 -8.461 1.00 0.91 C ATOM 1021 CG TYR A 63 -16.442 10.572 -9.482 1.00 0.95 C ATOM 1022 CD1 TYR A 63 -15.343 11.344 -9.871 1.00 0.94 C ATOM 1023 CD2 TYR A 63 -17.703 10.820 -10.039 1.00 0.99 C ATOM 1024 CE1 TYR A 63 -15.503 12.365 -10.816 1.00 0.98 C ATOM 1025 CE2 TYR A 63 -17.863 11.841 -10.984 1.00 1.03 C ATOM 1026 CZ TYR A 63 -16.763 12.613 -11.372 1.00 1.02 C ATOM 1027 OH TYR A 63 -16.921 13.619 -12.303 1.00 1.06 O ATOM 0 H TYR A 63 -14.138 9.595 -6.494 1.00 0.96 H new ATOM 0 HA TYR A 63 -16.760 10.965 -6.983 1.00 0.95 H new ATOM 0 HB2 TYR A 63 -15.375 8.884 -8.692 1.00 0.91 H new ATOM 0 HB3 TYR A 63 -17.115 8.781 -8.508 1.00 0.91 H new ATOM 0 HD1 TYR A 63 -14.370 11.153 -9.442 1.00 0.94 H new ATOM 0 HD2 TYR A 63 -18.552 10.224 -9.740 1.00 0.99 H new ATOM 0 HE1 TYR A 63 -14.654 12.961 -11.116 1.00 0.98 H new ATOM 0 HE2 TYR A 63 -18.835 12.032 -11.413 1.00 1.03 H new ATOM 0 HH TYR A 63 -17.858 13.657 -12.588 1.00 1.06 H new ATOM 1037 N PHE A 64 -17.897 8.663 -6.087 1.00 0.95 N ATOM 1038 CA PHE A 64 -18.439 7.669 -5.117 1.00 0.93 C ATOM 1039 C PHE A 64 -17.499 6.462 -5.052 1.00 0.86 C ATOM 1040 O PHE A 64 -17.163 5.869 -6.058 1.00 0.83 O ATOM 1041 CB PHE A 64 -19.832 7.220 -5.572 1.00 0.98 C ATOM 1042 CG PHE A 64 -19.846 7.063 -7.073 1.00 1.01 C ATOM 1043 CD1 PHE A 64 -19.454 5.853 -7.656 1.00 1.07 C ATOM 1044 CD2 PHE A 64 -20.253 8.131 -7.883 1.00 0.98 C ATOM 1045 CE1 PHE A 64 -19.468 5.709 -9.049 1.00 1.10 C ATOM 1046 CE2 PHE A 64 -20.266 7.988 -9.275 1.00 1.01 C ATOM 1047 CZ PHE A 64 -19.874 6.777 -9.858 1.00 1.07 C ATOM 0 H PHE A 64 -18.565 9.003 -6.779 1.00 0.95 H new ATOM 0 HA PHE A 64 -18.514 8.122 -4.128 1.00 0.93 H new ATOM 0 HB2 PHE A 64 -20.095 6.276 -5.095 1.00 0.98 H new ATOM 0 HB3 PHE A 64 -20.580 7.952 -5.265 1.00 0.98 H new ATOM 0 HD1 PHE A 64 -19.140 5.030 -7.031 1.00 1.07 H new ATOM 0 HD2 PHE A 64 -20.557 9.065 -7.433 1.00 0.98 H new ATOM 0 HE1 PHE A 64 -19.166 4.775 -9.499 1.00 1.10 H new ATOM 0 HE2 PHE A 64 -20.578 8.812 -9.900 1.00 1.01 H new ATOM 0 HZ PHE A 64 -19.885 6.667 -10.932 1.00 1.07 H new ATOM 1057 N VAL A 65 -17.062 6.103 -3.875 1.00 0.83 N ATOM 1058 CA VAL A 65 -16.137 4.952 -3.737 1.00 0.76 C ATOM 1059 C VAL A 65 -16.952 3.628 -3.746 1.00 0.76 C ATOM 1060 O VAL A 65 -17.873 3.500 -2.965 1.00 0.75 O ATOM 1061 CB VAL A 65 -15.382 5.116 -2.405 1.00 0.71 C ATOM 1062 CG1 VAL A 65 -15.046 6.599 -2.195 1.00 0.67 C ATOM 1063 CG2 VAL A 65 -16.237 4.629 -1.224 1.00 0.76 C ATOM 0 H VAL A 65 -17.310 6.564 -3.000 1.00 0.83 H new ATOM 0 HA VAL A 65 -15.427 4.919 -4.564 1.00 0.76 H new ATOM 0 HB VAL A 65 -14.471 4.519 -2.449 1.00 0.71 H new ATOM 0 HG11 VAL A 65 -14.511 6.721 -1.253 1.00 0.67 H new ATOM 0 HG12 VAL A 65 -14.420 6.950 -3.016 1.00 0.67 H new ATOM 0 HG13 VAL A 65 -15.968 7.180 -2.167 1.00 0.67 H new ATOM 0 HG21 VAL A 65 -15.681 4.756 -0.295 1.00 0.76 H new ATOM 0 HG22 VAL A 65 -17.158 5.210 -1.177 1.00 0.76 H new ATOM 0 HG23 VAL A 65 -16.480 3.575 -1.361 1.00 0.76 H new ATOM 1073 N PRO A 66 -16.617 2.670 -4.605 1.00 0.78 N ATOM 1074 CA PRO A 66 -17.366 1.396 -4.635 1.00 0.79 C ATOM 1075 C PRO A 66 -17.201 0.684 -3.282 1.00 0.72 C ATOM 1076 O PRO A 66 -16.457 -0.266 -3.148 1.00 0.67 O ATOM 1077 CB PRO A 66 -16.737 0.586 -5.796 1.00 0.81 C ATOM 1078 CG PRO A 66 -15.510 1.390 -6.311 1.00 0.82 C ATOM 1079 CD PRO A 66 -15.510 2.755 -5.587 1.00 0.79 C ATOM 0 HA PRO A 66 -18.437 1.526 -4.793 1.00 0.79 H new ATOM 0 HB2 PRO A 66 -16.432 -0.403 -5.453 1.00 0.81 H new ATOM 0 HB3 PRO A 66 -17.462 0.436 -6.596 1.00 0.81 H new ATOM 0 HG2 PRO A 66 -14.585 0.849 -6.109 1.00 0.82 H new ATOM 0 HG3 PRO A 66 -15.569 1.529 -7.391 1.00 0.82 H new ATOM 0 HD2 PRO A 66 -14.557 2.939 -5.092 1.00 0.79 H new ATOM 0 HD3 PRO A 66 -15.667 3.574 -6.289 1.00 0.79 H new ATOM 1087 N LEU A 67 -17.883 1.153 -2.276 1.00 0.73 N ATOM 1088 CA LEU A 67 -17.761 0.526 -0.931 1.00 0.68 C ATOM 1089 C LEU A 67 -18.518 -0.802 -0.897 1.00 0.65 C ATOM 1090 O LEU A 67 -18.016 -1.803 -0.425 1.00 0.60 O ATOM 1091 CB LEU A 67 -18.361 1.472 0.112 1.00 0.72 C ATOM 1092 CG LEU A 67 -17.946 1.038 1.532 1.00 0.74 C ATOM 1093 CD1 LEU A 67 -16.553 1.583 1.876 1.00 0.85 C ATOM 1094 CD2 LEU A 67 -18.956 1.584 2.546 1.00 0.77 C ATOM 0 H LEU A 67 -18.522 1.946 -2.327 1.00 0.73 H new ATOM 0 HA LEU A 67 -16.709 0.341 -0.714 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -18.025 2.492 -0.076 1.00 0.72 H new ATOM 0 HB3 LEU A 67 -19.448 1.474 0.028 1.00 0.72 H new ATOM 0 HG LEU A 67 -17.923 -0.051 1.570 1.00 0.74 H new ATOM 0 HD11 LEU A 67 -16.277 1.267 2.882 1.00 0.85 H new ATOM 0 HD12 LEU A 67 -15.825 1.198 1.162 1.00 0.85 H new ATOM 0 HD13 LEU A 67 -16.567 2.672 1.829 1.00 0.85 H new ATOM 0 HD21 LEU A 67 -18.664 1.278 3.551 1.00 0.77 H new ATOM 0 HD22 LEU A 67 -18.976 2.672 2.489 1.00 0.77 H new ATOM 0 HD23 LEU A 67 -19.947 1.190 2.320 1.00 0.77 H new ATOM 1106 N HIS A 68 -19.731 -0.812 -1.369 1.00 0.69 N ATOM 1107 CA HIS A 68 -20.530 -2.070 -1.337 1.00 0.68 C ATOM 1108 C HIS A 68 -19.938 -3.116 -2.281 1.00 0.68 C ATOM 1109 O HIS A 68 -20.560 -4.120 -2.568 1.00 0.72 O ATOM 1110 CB HIS A 68 -21.977 -1.775 -1.737 1.00 0.75 C ATOM 1111 CG HIS A 68 -22.000 -1.050 -3.054 1.00 0.81 C ATOM 1112 ND1 HIS A 68 -21.592 0.268 -3.180 1.00 0.87 N ATOM 1113 CD2 HIS A 68 -22.381 -1.447 -4.312 1.00 0.84 C ATOM 1114 CE1 HIS A 68 -21.737 0.615 -4.472 1.00 0.91 C ATOM 1115 NE2 HIS A 68 -22.215 -0.394 -5.206 1.00 0.90 N ATOM 0 H HIS A 68 -20.205 -0.006 -1.776 1.00 0.69 H new ATOM 0 HA HIS A 68 -20.505 -2.467 -0.322 1.00 0.68 H new ATOM 0 HB2 HIS A 68 -22.540 -2.705 -1.813 1.00 0.75 H new ATOM 0 HB3 HIS A 68 -22.461 -1.171 -0.970 1.00 0.75 H new ATOM 0 HD2 HIS A 68 -22.753 -2.428 -4.569 1.00 0.84 H new ATOM 0 HE1 HIS A 68 -21.496 1.591 -4.868 1.00 0.91 H new ATOM 0 HE2 HIS A 68 -22.415 -0.393 -6.206 1.00 0.90 H new ATOM 1123 N SER A 69 -18.733 -2.915 -2.740 1.00 0.66 N ATOM 1124 CA SER A 69 -18.088 -3.918 -3.634 1.00 0.67 C ATOM 1125 C SER A 69 -17.099 -4.688 -2.782 1.00 0.61 C ATOM 1126 O SER A 69 -16.726 -5.810 -3.059 1.00 0.63 O ATOM 1127 CB SER A 69 -17.347 -3.184 -4.751 1.00 0.69 C ATOM 1128 OG SER A 69 -17.421 -3.949 -5.948 1.00 0.69 O ATOM 0 H SER A 69 -18.164 -2.094 -2.533 1.00 0.66 H new ATOM 0 HA SER A 69 -18.821 -4.589 -4.082 1.00 0.67 H new ATOM 0 HB2 SER A 69 -17.786 -2.199 -4.908 1.00 0.69 H new ATOM 0 HB3 SER A 69 -16.306 -3.027 -4.470 1.00 0.69 H new ATOM 0 HG SER A 69 -16.948 -3.479 -6.666 1.00 0.69 H new ATOM 1134 N PHE A 70 -16.682 -4.048 -1.742 1.00 0.56 N ATOM 1135 CA PHE A 70 -15.709 -4.644 -0.805 1.00 0.51 C ATOM 1136 C PHE A 70 -16.473 -5.389 0.292 1.00 0.50 C ATOM 1137 O PHE A 70 -17.654 -5.656 0.187 1.00 0.56 O ATOM 1138 CB PHE A 70 -14.876 -3.499 -0.172 1.00 0.48 C ATOM 1139 CG PHE A 70 -13.641 -3.236 -1.000 1.00 0.49 C ATOM 1140 CD1 PHE A 70 -13.773 -2.937 -2.355 1.00 0.52 C ATOM 1141 CD2 PHE A 70 -12.369 -3.297 -0.414 1.00 0.49 C ATOM 1142 CE1 PHE A 70 -12.632 -2.699 -3.133 1.00 0.55 C ATOM 1143 CE2 PHE A 70 -11.232 -3.062 -1.187 1.00 0.51 C ATOM 1144 CZ PHE A 70 -11.361 -2.763 -2.549 1.00 0.54 C ATOM 0 H PHE A 70 -16.984 -3.106 -1.493 1.00 0.56 H new ATOM 0 HA PHE A 70 -15.050 -5.339 -1.325 1.00 0.51 H new ATOM 0 HB2 PHE A 70 -15.479 -2.593 -0.107 1.00 0.48 H new ATOM 0 HB3 PHE A 70 -14.591 -3.766 0.846 1.00 0.48 H new ATOM 0 HD1 PHE A 70 -14.754 -2.889 -2.805 1.00 0.52 H new ATOM 0 HD2 PHE A 70 -12.269 -3.526 0.637 1.00 0.49 H new ATOM 0 HE1 PHE A 70 -12.733 -2.466 -4.183 1.00 0.55 H new ATOM 0 HE2 PHE A 70 -10.252 -3.111 -0.735 1.00 0.51 H new ATOM 0 HZ PHE A 70 -10.481 -2.582 -3.148 1.00 0.54 H new ATOM 1154 N PHE A 71 -15.794 -5.684 1.354 1.00 0.45 N ATOM 1155 CA PHE A 71 -16.414 -6.372 2.521 1.00 0.45 C ATOM 1156 C PHE A 71 -16.006 -5.566 3.759 1.00 0.50 C ATOM 1157 O PHE A 71 -15.118 -5.939 4.499 1.00 0.51 O ATOM 1158 CB PHE A 71 -15.887 -7.828 2.606 1.00 0.41 C ATOM 1159 CG PHE A 71 -16.963 -8.807 2.171 1.00 0.40 C ATOM 1160 CD1 PHE A 71 -17.378 -8.840 0.835 1.00 0.41 C ATOM 1161 CD2 PHE A 71 -17.542 -9.678 3.105 1.00 0.43 C ATOM 1162 CE1 PHE A 71 -18.370 -9.742 0.431 1.00 0.44 C ATOM 1163 CE2 PHE A 71 -18.533 -10.580 2.701 1.00 0.46 C ATOM 1164 CZ PHE A 71 -18.947 -10.612 1.364 1.00 0.46 C ATOM 0 H PHE A 71 -14.803 -5.472 1.470 1.00 0.45 H new ATOM 0 HA PHE A 71 -17.500 -6.424 2.437 1.00 0.45 H new ATOM 0 HB2 PHE A 71 -15.007 -7.940 1.973 1.00 0.41 H new ATOM 0 HB3 PHE A 71 -15.576 -8.050 3.627 1.00 0.41 H new ATOM 0 HD1 PHE A 71 -16.933 -8.169 0.115 1.00 0.41 H new ATOM 0 HD2 PHE A 71 -17.223 -9.653 4.137 1.00 0.43 H new ATOM 0 HE1 PHE A 71 -18.690 -9.767 -0.600 1.00 0.44 H new ATOM 0 HE2 PHE A 71 -18.978 -11.251 3.420 1.00 0.46 H new ATOM 0 HZ PHE A 71 -19.712 -11.308 1.052 1.00 0.46 H new ATOM 1174 N LEU A 72 -16.635 -4.438 3.954 1.00 0.54 N ATOM 1175 CA LEU A 72 -16.287 -3.562 5.108 1.00 0.59 C ATOM 1176 C LEU A 72 -16.271 -4.375 6.405 1.00 0.57 C ATOM 1177 O LEU A 72 -16.412 -5.580 6.402 1.00 0.59 O ATOM 1178 CB LEU A 72 -17.321 -2.419 5.220 1.00 0.64 C ATOM 1179 CG LEU A 72 -18.729 -2.920 4.796 1.00 0.66 C ATOM 1180 CD1 LEU A 72 -19.809 -2.252 5.661 1.00 0.72 C ATOM 1181 CD2 LEU A 72 -18.991 -2.583 3.313 1.00 0.71 C ATOM 0 H LEU A 72 -17.382 -4.084 3.357 1.00 0.54 H new ATOM 0 HA LEU A 72 -15.295 -3.140 4.947 1.00 0.59 H new ATOM 0 HB2 LEU A 72 -17.353 -2.048 6.244 1.00 0.64 H new ATOM 0 HB3 LEU A 72 -17.019 -1.584 4.588 1.00 0.64 H new ATOM 0 HG LEU A 72 -18.766 -4.001 4.935 1.00 0.66 H new ATOM 0 HD11 LEU A 72 -20.792 -2.610 5.356 1.00 0.72 H new ATOM 0 HD12 LEU A 72 -19.641 -2.501 6.709 1.00 0.72 H new ATOM 0 HD13 LEU A 72 -19.761 -1.171 5.533 1.00 0.72 H new ATOM 0 HD21 LEU A 72 -19.981 -2.939 3.028 1.00 0.71 H new ATOM 0 HD22 LEU A 72 -18.939 -1.504 3.170 1.00 0.71 H new ATOM 0 HD23 LEU A 72 -18.238 -3.068 2.691 1.00 0.71 H new ATOM 1193 N THR A 73 -16.101 -3.696 7.509 1.00 0.53 N ATOM 1194 CA THR A 73 -16.065 -4.362 8.845 1.00 0.52 C ATOM 1195 C THR A 73 -15.401 -5.747 8.773 1.00 0.44 C ATOM 1196 O THR A 73 -16.031 -6.740 9.080 1.00 0.43 O ATOM 1197 CB THR A 73 -17.491 -4.499 9.407 1.00 0.59 C ATOM 1198 OG1 THR A 73 -17.458 -5.308 10.573 1.00 0.59 O ATOM 1199 CG2 THR A 73 -18.428 -5.138 8.377 1.00 0.61 C ATOM 0 H THR A 73 -15.983 -2.683 7.541 1.00 0.53 H new ATOM 0 HA THR A 73 -15.468 -3.736 9.508 1.00 0.52 H new ATOM 0 HB THR A 73 -17.866 -3.504 9.646 1.00 0.59 H new ATOM 0 HG1 THR A 73 -17.223 -6.227 10.327 1.00 0.59 H new ATOM 0 HG21 THR A 73 -19.429 -5.223 8.799 1.00 0.61 H new ATOM 0 HG22 THR A 73 -18.463 -4.516 7.482 1.00 0.61 H new ATOM 0 HG23 THR A 73 -18.059 -6.130 8.115 1.00 0.61 H new ATOM 1207 N PRO A 74 -14.132 -5.782 8.410 1.00 0.42 N ATOM 1208 CA PRO A 74 -13.375 -7.053 8.349 1.00 0.35 C ATOM 1209 C PRO A 74 -13.702 -7.889 9.588 1.00 0.35 C ATOM 1210 O PRO A 74 -13.700 -7.389 10.695 1.00 0.40 O ATOM 1211 CB PRO A 74 -11.910 -6.581 8.302 1.00 0.37 C ATOM 1212 CG PRO A 74 -11.941 -5.151 7.711 1.00 0.45 C ATOM 1213 CD PRO A 74 -13.340 -4.583 8.038 1.00 0.47 C ATOM 0 HA PRO A 74 -13.610 -7.694 7.499 1.00 0.35 H new ATOM 0 HB2 PRO A 74 -11.468 -6.582 9.298 1.00 0.37 H new ATOM 0 HB3 PRO A 74 -11.306 -7.245 7.684 1.00 0.37 H new ATOM 0 HG2 PRO A 74 -11.157 -4.532 8.147 1.00 0.45 H new ATOM 0 HG3 PRO A 74 -11.770 -5.170 6.635 1.00 0.45 H new ATOM 0 HD2 PRO A 74 -13.298 -3.862 8.855 1.00 0.47 H new ATOM 0 HD3 PRO A 74 -13.773 -4.068 7.180 1.00 0.47 H new ATOM 1221 N ASP A 75 -14.026 -9.153 9.405 1.00 0.34 N ATOM 1222 CA ASP A 75 -14.406 -10.010 10.578 1.00 0.38 C ATOM 1223 C ASP A 75 -13.304 -11.020 10.877 1.00 0.36 C ATOM 1224 O ASP A 75 -12.960 -11.266 12.016 1.00 0.36 O ATOM 1225 CB ASP A 75 -15.712 -10.758 10.226 1.00 0.46 C ATOM 1226 CG ASP A 75 -16.636 -10.835 11.449 1.00 0.82 C ATOM 1227 OD1 ASP A 75 -17.186 -9.810 11.817 1.00 0.82 O ATOM 1228 OD2 ASP A 75 -16.777 -11.918 11.994 1.00 1.34 O ATOM 0 H ASP A 75 -14.043 -9.624 8.500 1.00 0.34 H new ATOM 0 HA ASP A 75 -14.548 -9.385 11.460 1.00 0.38 H new ATOM 0 HB2 ASP A 75 -16.222 -10.246 9.410 1.00 0.46 H new ATOM 0 HB3 ASP A 75 -15.479 -11.763 9.876 1.00 0.46 H new ATOM 1233 N SER A 76 -12.784 -11.629 9.858 1.00 0.38 N ATOM 1234 CA SER A 76 -11.729 -12.668 10.046 1.00 0.41 C ATOM 1235 C SER A 76 -10.603 -12.465 9.044 1.00 0.39 C ATOM 1236 O SER A 76 -10.480 -11.444 8.405 1.00 0.37 O ATOM 1237 CB SER A 76 -12.344 -14.049 9.827 1.00 0.51 C ATOM 1238 OG SER A 76 -13.076 -14.049 8.608 1.00 0.54 O ATOM 0 H SER A 76 -13.044 -11.453 8.887 1.00 0.38 H new ATOM 0 HA SER A 76 -11.327 -12.587 11.056 1.00 0.41 H new ATOM 0 HB2 SER A 76 -11.562 -14.807 9.795 1.00 0.51 H new ATOM 0 HB3 SER A 76 -13.001 -14.304 10.659 1.00 0.51 H new ATOM 0 HG SER A 76 -13.471 -14.934 8.463 1.00 0.54 H new ATOM 1244 N PHE A 77 -9.766 -13.436 8.926 1.00 0.42 N ATOM 1245 CA PHE A 77 -8.638 -13.340 7.983 1.00 0.44 C ATOM 1246 C PHE A 77 -9.164 -13.444 6.577 1.00 0.48 C ATOM 1247 O PHE A 77 -8.961 -12.587 5.768 1.00 0.49 O ATOM 1248 CB PHE A 77 -7.692 -14.503 8.277 1.00 0.50 C ATOM 1249 CG PHE A 77 -6.554 -14.575 7.278 1.00 0.59 C ATOM 1250 CD1 PHE A 77 -5.756 -13.453 7.026 1.00 0.63 C ATOM 1251 CD2 PHE A 77 -6.280 -15.787 6.626 1.00 0.74 C ATOM 1252 CE1 PHE A 77 -4.682 -13.544 6.123 1.00 0.80 C ATOM 1253 CE2 PHE A 77 -5.216 -15.874 5.724 1.00 0.87 C ATOM 1254 CZ PHE A 77 -4.417 -14.754 5.474 1.00 0.90 C ATOM 0 H PHE A 77 -9.815 -14.309 9.452 1.00 0.42 H new ATOM 0 HA PHE A 77 -8.113 -12.391 8.091 1.00 0.44 H new ATOM 0 HB2 PHE A 77 -7.286 -14.395 9.283 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -8.251 -15.439 8.258 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -5.965 -12.518 7.525 1.00 0.63 H new ATOM 0 HD2 PHE A 77 -6.893 -16.655 6.822 1.00 0.74 H new ATOM 0 HE1 PHE A 77 -4.063 -12.680 5.931 1.00 0.80 H new ATOM 0 HE2 PHE A 77 -5.011 -16.807 5.220 1.00 0.87 H new ATOM 0 HZ PHE A 77 -3.594 -14.824 4.778 1.00 0.90 H new ATOM 1264 N GLU A 78 -9.836 -14.490 6.295 1.00 0.51 N ATOM 1265 CA GLU A 78 -10.386 -14.682 4.927 1.00 0.56 C ATOM 1266 C GLU A 78 -11.052 -13.394 4.419 1.00 0.53 C ATOM 1267 O GLU A 78 -10.859 -13.013 3.282 1.00 0.59 O ATOM 1268 CB GLU A 78 -11.404 -15.849 4.962 1.00 0.63 C ATOM 1269 CG GLU A 78 -11.003 -16.949 3.969 1.00 1.05 C ATOM 1270 CD GLU A 78 -12.103 -18.010 3.910 1.00 1.14 C ATOM 1271 OE1 GLU A 78 -13.263 -17.637 3.973 1.00 1.45 O ATOM 1272 OE2 GLU A 78 -11.767 -19.178 3.805 1.00 1.04 O ATOM 0 H GLU A 78 -10.041 -15.243 6.952 1.00 0.51 H new ATOM 0 HA GLU A 78 -9.576 -14.923 4.239 1.00 0.56 H new ATOM 0 HB2 GLU A 78 -11.456 -16.263 5.969 1.00 0.63 H new ATOM 0 HB3 GLU A 78 -12.399 -15.477 4.718 1.00 0.63 H new ATOM 0 HG2 GLU A 78 -10.844 -16.520 2.980 1.00 1.05 H new ATOM 0 HG3 GLU A 78 -10.061 -17.404 4.275 1.00 1.05 H new ATOM 1279 N GLN A 79 -11.827 -12.711 5.221 1.00 0.46 N ATOM 1280 CA GLN A 79 -12.466 -11.475 4.692 1.00 0.45 C ATOM 1281 C GLN A 79 -11.378 -10.465 4.348 1.00 0.40 C ATOM 1282 O GLN A 79 -11.464 -9.748 3.371 1.00 0.41 O ATOM 1283 CB GLN A 79 -13.474 -10.880 5.686 1.00 0.49 C ATOM 1284 CG GLN A 79 -12.943 -10.910 7.101 1.00 0.49 C ATOM 1285 CD GLN A 79 -12.085 -9.684 7.364 1.00 0.46 C ATOM 1286 OE1 GLN A 79 -11.735 -8.980 6.443 1.00 0.47 O ATOM 1287 NE2 GLN A 79 -11.733 -9.398 8.589 1.00 0.45 N ATOM 0 H GLN A 79 -12.040 -12.947 6.190 1.00 0.46 H new ATOM 0 HA GLN A 79 -13.029 -11.729 3.794 1.00 0.45 H new ATOM 0 HB2 GLN A 79 -13.701 -9.852 5.404 1.00 0.49 H new ATOM 0 HB3 GLN A 79 -14.409 -11.438 5.635 1.00 0.49 H new ATOM 0 HG2 GLN A 79 -13.772 -10.941 7.808 1.00 0.49 H new ATOM 0 HG3 GLN A 79 -12.356 -11.815 7.258 1.00 0.49 H new ATOM 0 HE21 GLN A 79 -12.032 -9.997 9.359 1.00 0.45 H new ATOM 0 HE22 GLN A 79 -11.159 -8.576 8.776 1.00 0.45 H new ATOM 1296 N LYS A 80 -10.345 -10.418 5.136 1.00 0.39 N ATOM 1297 CA LYS A 80 -9.230 -9.468 4.849 1.00 0.38 C ATOM 1298 C LYS A 80 -8.527 -9.905 3.562 1.00 0.39 C ATOM 1299 O LYS A 80 -8.366 -9.137 2.635 1.00 0.40 O ATOM 1300 CB LYS A 80 -8.212 -9.484 6.000 1.00 0.41 C ATOM 1301 CG LYS A 80 -8.796 -8.779 7.227 1.00 0.50 C ATOM 1302 CD LYS A 80 -7.699 -8.505 8.265 1.00 0.51 C ATOM 1303 CE LYS A 80 -7.281 -9.809 8.954 1.00 0.51 C ATOM 1304 NZ LYS A 80 -8.485 -10.497 9.501 1.00 1.03 N ATOM 0 H LYS A 80 -10.221 -10.995 5.968 1.00 0.39 H new ATOM 0 HA LYS A 80 -9.635 -8.462 4.741 1.00 0.38 H new ATOM 0 HB2 LYS A 80 -7.951 -10.512 6.251 1.00 0.41 H new ATOM 0 HB3 LYS A 80 -7.292 -8.989 5.689 1.00 0.41 H new ATOM 0 HG2 LYS A 80 -9.262 -7.841 6.926 1.00 0.50 H new ATOM 0 HG3 LYS A 80 -9.578 -9.396 7.670 1.00 0.50 H new ATOM 0 HD2 LYS A 80 -6.836 -8.049 7.780 1.00 0.51 H new ATOM 0 HD3 LYS A 80 -8.061 -7.793 9.007 1.00 0.51 H new ATOM 0 HE2 LYS A 80 -6.770 -10.459 8.244 1.00 0.51 H new ATOM 0 HE3 LYS A 80 -6.575 -9.597 9.757 1.00 0.51 H new ATOM 0 HZ1 LYS A 80 -8.198 -11.381 9.968 1.00 1.03 H new ATOM 0 HZ2 LYS A 80 -8.955 -9.878 10.192 1.00 1.03 H new ATOM 0 HZ3 LYS A 80 -9.144 -10.713 8.726 1.00 1.03 H new ATOM 1318 N VAL A 81 -8.104 -11.140 3.506 1.00 0.44 N ATOM 1319 CA VAL A 81 -7.405 -11.647 2.294 1.00 0.47 C ATOM 1320 C VAL A 81 -8.260 -11.378 1.068 1.00 0.45 C ATOM 1321 O VAL A 81 -7.769 -11.306 -0.033 1.00 0.46 O ATOM 1322 CB VAL A 81 -7.198 -13.155 2.415 1.00 0.54 C ATOM 1323 CG1 VAL A 81 -6.361 -13.650 1.235 1.00 0.60 C ATOM 1324 CG2 VAL A 81 -6.472 -13.473 3.721 1.00 0.56 C ATOM 0 H VAL A 81 -8.215 -11.823 4.255 1.00 0.44 H new ATOM 0 HA VAL A 81 -6.443 -11.143 2.201 1.00 0.47 H new ATOM 0 HB VAL A 81 -8.168 -13.653 2.411 1.00 0.54 H new ATOM 0 HG11 VAL A 81 -6.213 -14.726 1.320 1.00 0.60 H new ATOM 0 HG12 VAL A 81 -6.880 -13.428 0.302 1.00 0.60 H new ATOM 0 HG13 VAL A 81 -5.393 -13.149 1.240 1.00 0.60 H new ATOM 0 HG21 VAL A 81 -6.326 -14.550 3.803 1.00 0.56 H new ATOM 0 HG22 VAL A 81 -5.503 -12.974 3.729 1.00 0.56 H new ATOM 0 HG23 VAL A 81 -7.068 -13.122 4.563 1.00 0.56 H new ATOM 1334 N LEU A 82 -9.540 -11.251 1.247 1.00 0.44 N ATOM 1335 CA LEU A 82 -10.431 -11.010 0.076 1.00 0.44 C ATOM 1336 C LEU A 82 -10.446 -9.534 -0.274 1.00 0.38 C ATOM 1337 O LEU A 82 -10.434 -9.165 -1.429 1.00 0.38 O ATOM 1338 CB LEU A 82 -11.853 -11.481 0.403 1.00 0.47 C ATOM 1339 CG LEU A 82 -12.731 -11.432 -0.858 1.00 0.49 C ATOM 1340 CD1 LEU A 82 -12.282 -12.501 -1.874 1.00 0.53 C ATOM 1341 CD2 LEU A 82 -14.189 -11.678 -0.457 1.00 0.54 C ATOM 0 H LEU A 82 -10.011 -11.303 2.150 1.00 0.44 H new ATOM 0 HA LEU A 82 -10.053 -11.571 -0.779 1.00 0.44 H new ATOM 0 HB2 LEU A 82 -11.826 -12.497 0.797 1.00 0.47 H new ATOM 0 HB3 LEU A 82 -12.284 -10.849 1.180 1.00 0.47 H new ATOM 0 HG LEU A 82 -12.632 -10.452 -1.326 1.00 0.49 H new ATOM 0 HD11 LEU A 82 -12.916 -12.450 -2.759 1.00 0.53 H new ATOM 0 HD12 LEU A 82 -11.246 -12.320 -2.159 1.00 0.53 H new ATOM 0 HD13 LEU A 82 -12.367 -13.490 -1.423 1.00 0.53 H new ATOM 0 HD21 LEU A 82 -14.821 -11.645 -1.345 1.00 0.54 H new ATOM 0 HD22 LEU A 82 -14.276 -12.657 0.015 1.00 0.54 H new ATOM 0 HD23 LEU A 82 -14.508 -10.907 0.244 1.00 0.54 H new ATOM 1353 N ASN A 83 -10.461 -8.684 0.695 1.00 0.35 N ATOM 1354 CA ASN A 83 -10.461 -7.240 0.381 1.00 0.32 C ATOM 1355 C ASN A 83 -9.177 -6.919 -0.386 1.00 0.31 C ATOM 1356 O ASN A 83 -9.145 -6.059 -1.251 1.00 0.30 O ATOM 1357 CB ASN A 83 -10.503 -6.429 1.687 1.00 0.31 C ATOM 1358 CG ASN A 83 -11.645 -6.933 2.569 1.00 0.33 C ATOM 1359 OD1 ASN A 83 -11.421 -7.380 3.676 1.00 0.35 O ATOM 1360 ND2 ASN A 83 -12.869 -6.878 2.126 1.00 0.36 N ATOM 0 H ASN A 83 -10.473 -8.921 1.687 1.00 0.35 H new ATOM 0 HA ASN A 83 -11.333 -6.982 -0.220 1.00 0.32 H new ATOM 0 HB2 ASN A 83 -9.554 -6.522 2.215 1.00 0.31 H new ATOM 0 HB3 ASN A 83 -10.642 -5.371 1.465 1.00 0.31 H new ATOM 0 HD21 ASN A 83 -13.638 -7.210 2.709 1.00 0.36 H new ATOM 0 HD22 ASN A 83 -13.059 -6.503 1.197 1.00 0.36 H new ATOM 1367 N VAL A 84 -8.114 -7.626 -0.097 1.00 0.34 N ATOM 1368 CA VAL A 84 -6.829 -7.345 -0.816 1.00 0.37 C ATOM 1369 C VAL A 84 -6.776 -8.115 -2.113 1.00 0.39 C ATOM 1370 O VAL A 84 -6.375 -7.601 -3.119 1.00 0.41 O ATOM 1371 CB VAL A 84 -5.612 -7.714 0.041 1.00 0.41 C ATOM 1372 CG1 VAL A 84 -4.349 -7.243 -0.685 1.00 0.47 C ATOM 1373 CG2 VAL A 84 -5.715 -7.017 1.406 1.00 0.40 C ATOM 0 H VAL A 84 -8.077 -8.375 0.594 1.00 0.34 H new ATOM 0 HA VAL A 84 -6.796 -6.275 -1.020 1.00 0.37 H new ATOM 0 HB VAL A 84 -5.574 -8.792 0.196 1.00 0.41 H new ATOM 0 HG11 VAL A 84 -3.471 -7.497 -0.090 1.00 0.47 H new ATOM 0 HG12 VAL A 84 -4.283 -7.733 -1.656 1.00 0.47 H new ATOM 0 HG13 VAL A 84 -4.392 -6.163 -0.826 1.00 0.47 H new ATOM 0 HG21 VAL A 84 -4.850 -7.280 2.015 1.00 0.40 H new ATOM 0 HG22 VAL A 84 -5.743 -5.937 1.262 1.00 0.40 H new ATOM 0 HG23 VAL A 84 -6.625 -7.339 1.911 1.00 0.40 H new ATOM 1383 N SER A 85 -7.169 -9.340 -2.102 1.00 0.41 N ATOM 1384 CA SER A 85 -7.128 -10.126 -3.354 1.00 0.46 C ATOM 1385 C SER A 85 -7.989 -9.427 -4.399 1.00 0.42 C ATOM 1386 O SER A 85 -7.777 -9.541 -5.589 1.00 0.45 O ATOM 1387 CB SER A 85 -7.676 -11.530 -3.096 1.00 0.50 C ATOM 1388 OG SER A 85 -7.725 -12.248 -4.322 1.00 0.53 O ATOM 0 H SER A 85 -7.518 -9.837 -1.283 1.00 0.41 H new ATOM 0 HA SER A 85 -6.101 -10.204 -3.710 1.00 0.46 H new ATOM 0 HB2 SER A 85 -7.043 -12.054 -2.380 1.00 0.50 H new ATOM 0 HB3 SER A 85 -8.672 -11.469 -2.657 1.00 0.50 H new ATOM 0 HG SER A 85 -8.074 -13.149 -4.160 1.00 0.53 H new ATOM 1394 N PHE A 86 -8.964 -8.697 -3.958 1.00 0.38 N ATOM 1395 CA PHE A 86 -9.861 -8.004 -4.914 1.00 0.36 C ATOM 1396 C PHE A 86 -9.179 -6.757 -5.454 1.00 0.34 C ATOM 1397 O PHE A 86 -8.998 -6.590 -6.637 1.00 0.35 O ATOM 1398 CB PHE A 86 -11.144 -7.619 -4.189 1.00 0.35 C ATOM 1399 CG PHE A 86 -12.004 -6.700 -5.035 1.00 0.32 C ATOM 1400 CD1 PHE A 86 -12.027 -6.806 -6.436 1.00 0.31 C ATOM 1401 CD2 PHE A 86 -12.801 -5.748 -4.399 1.00 0.32 C ATOM 1402 CE1 PHE A 86 -12.850 -5.959 -7.187 1.00 0.31 C ATOM 1403 CE2 PHE A 86 -13.620 -4.899 -5.152 1.00 0.32 C ATOM 1404 CZ PHE A 86 -13.647 -5.006 -6.545 1.00 0.32 C ATOM 0 H PHE A 86 -9.181 -8.548 -2.972 1.00 0.38 H new ATOM 0 HA PHE A 86 -10.091 -8.665 -5.750 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -11.707 -8.519 -3.940 1.00 0.35 H new ATOM 0 HB3 PHE A 86 -10.898 -7.126 -3.249 1.00 0.35 H new ATOM 0 HD1 PHE A 86 -11.410 -7.540 -6.933 1.00 0.31 H new ATOM 0 HD2 PHE A 86 -12.786 -5.666 -3.322 1.00 0.32 H new ATOM 0 HE1 PHE A 86 -12.870 -6.041 -8.264 1.00 0.31 H new ATOM 0 HE2 PHE A 86 -14.232 -4.160 -4.656 1.00 0.32 H new ATOM 0 HZ PHE A 86 -14.283 -4.353 -7.125 1.00 0.32 H new ATOM 1414 N ALA A 87 -8.785 -5.876 -4.599 1.00 0.32 N ATOM 1415 CA ALA A 87 -8.097 -4.653 -5.094 1.00 0.33 C ATOM 1416 C ALA A 87 -6.907 -5.105 -5.937 1.00 0.38 C ATOM 1417 O ALA A 87 -6.498 -4.458 -6.879 1.00 0.39 O ATOM 1418 CB ALA A 87 -7.595 -3.836 -3.908 1.00 0.35 C ATOM 0 H ALA A 87 -8.903 -5.939 -3.588 1.00 0.32 H new ATOM 0 HA ALA A 87 -8.779 -4.039 -5.683 1.00 0.33 H new ATOM 0 HB1 ALA A 87 -7.091 -2.940 -4.271 1.00 0.35 H new ATOM 0 HB2 ALA A 87 -8.439 -3.549 -3.281 1.00 0.35 H new ATOM 0 HB3 ALA A 87 -6.896 -4.434 -3.324 1.00 0.35 H new ATOM 1424 N PHE A 88 -6.373 -6.240 -5.595 1.00 0.41 N ATOM 1425 CA PHE A 88 -5.225 -6.808 -6.324 1.00 0.48 C ATOM 1426 C PHE A 88 -5.737 -7.356 -7.634 1.00 0.48 C ATOM 1427 O PHE A 88 -5.002 -7.532 -8.575 1.00 0.53 O ATOM 1428 CB PHE A 88 -4.635 -7.931 -5.473 1.00 0.52 C ATOM 1429 CG PHE A 88 -3.662 -8.769 -6.271 1.00 0.59 C ATOM 1430 CD1 PHE A 88 -4.142 -9.704 -7.195 1.00 0.61 C ATOM 1431 CD2 PHE A 88 -2.284 -8.631 -6.067 1.00 0.66 C ATOM 1432 CE1 PHE A 88 -3.247 -10.499 -7.917 1.00 0.69 C ATOM 1433 CE2 PHE A 88 -1.387 -9.424 -6.792 1.00 0.73 C ATOM 1434 CZ PHE A 88 -1.870 -10.360 -7.717 1.00 0.74 C ATOM 0 H PHE A 88 -6.700 -6.810 -4.815 1.00 0.41 H new ATOM 0 HA PHE A 88 -4.456 -6.060 -6.517 1.00 0.48 H new ATOM 0 HB2 PHE A 88 -4.128 -7.506 -4.607 1.00 0.52 H new ATOM 0 HB3 PHE A 88 -5.438 -8.563 -5.094 1.00 0.52 H new ATOM 0 HD1 PHE A 88 -5.205 -9.812 -7.351 1.00 0.61 H new ATOM 0 HD2 PHE A 88 -1.913 -7.913 -5.351 1.00 0.66 H new ATOM 0 HE1 PHE A 88 -3.619 -11.221 -8.629 1.00 0.69 H new ATOM 0 HE2 PHE A 88 -0.324 -9.315 -6.639 1.00 0.73 H new ATOM 0 HZ PHE A 88 -1.179 -10.974 -8.275 1.00 0.74 H new ATOM 1444 N GLU A 89 -7.002 -7.648 -7.695 1.00 0.44 N ATOM 1445 CA GLU A 89 -7.562 -8.196 -8.960 1.00 0.46 C ATOM 1446 C GLU A 89 -7.779 -7.030 -9.930 1.00 0.43 C ATOM 1447 O GLU A 89 -7.401 -7.087 -11.089 1.00 0.47 O ATOM 1448 CB GLU A 89 -8.884 -8.924 -8.649 1.00 0.46 C ATOM 1449 CG GLU A 89 -8.603 -10.400 -8.355 1.00 0.51 C ATOM 1450 CD GLU A 89 -8.397 -11.161 -9.668 1.00 0.58 C ATOM 1451 OE1 GLU A 89 -9.287 -11.117 -10.501 1.00 0.63 O ATOM 1452 OE2 GLU A 89 -7.353 -11.774 -9.816 1.00 0.60 O ATOM 0 H GLU A 89 -7.669 -7.533 -6.932 1.00 0.44 H new ATOM 0 HA GLU A 89 -6.881 -8.914 -9.418 1.00 0.46 H new ATOM 0 HB2 GLU A 89 -9.374 -8.459 -7.793 1.00 0.46 H new ATOM 0 HB3 GLU A 89 -9.567 -8.835 -9.494 1.00 0.46 H new ATOM 0 HG2 GLU A 89 -7.717 -10.493 -7.727 1.00 0.51 H new ATOM 0 HG3 GLU A 89 -9.434 -10.834 -7.799 1.00 0.51 H new ATOM 1459 N LEU A 90 -8.347 -5.957 -9.458 1.00 0.38 N ATOM 1460 CA LEU A 90 -8.554 -4.783 -10.341 1.00 0.37 C ATOM 1461 C LEU A 90 -7.191 -4.167 -10.636 1.00 0.41 C ATOM 1462 O LEU A 90 -7.030 -3.412 -11.573 1.00 0.42 O ATOM 1463 CB LEU A 90 -9.450 -3.749 -9.640 1.00 0.34 C ATOM 1464 CG LEU A 90 -10.936 -4.130 -9.800 1.00 0.33 C ATOM 1465 CD1 LEU A 90 -11.755 -3.476 -8.683 1.00 0.33 C ATOM 1466 CD2 LEU A 90 -11.471 -3.641 -11.155 1.00 0.36 C ATOM 0 H LEU A 90 -8.676 -5.844 -8.499 1.00 0.38 H new ATOM 0 HA LEU A 90 -9.040 -5.091 -11.267 1.00 0.37 H new ATOM 0 HB2 LEU A 90 -9.194 -3.694 -8.582 1.00 0.34 H new ATOM 0 HB3 LEU A 90 -9.274 -2.760 -10.062 1.00 0.34 H new ATOM 0 HG LEU A 90 -11.024 -5.215 -9.747 1.00 0.33 H new ATOM 0 HD11 LEU A 90 -12.805 -3.745 -8.796 1.00 0.33 H new ATOM 0 HD12 LEU A 90 -11.393 -3.824 -7.715 1.00 0.33 H new ATOM 0 HD13 LEU A 90 -11.650 -2.393 -8.741 1.00 0.33 H new ATOM 0 HD21 LEU A 90 -12.521 -3.917 -11.253 1.00 0.36 H new ATOM 0 HD22 LEU A 90 -11.374 -2.557 -11.215 1.00 0.36 H new ATOM 0 HD23 LEU A 90 -10.898 -4.101 -11.960 1.00 0.36 H new ATOM 1478 N MET A 91 -6.197 -4.494 -9.850 1.00 0.43 N ATOM 1479 CA MET A 91 -4.842 -3.924 -10.113 1.00 0.49 C ATOM 1480 C MET A 91 -4.154 -4.800 -11.143 1.00 0.54 C ATOM 1481 O MET A 91 -3.637 -4.323 -12.134 1.00 0.58 O ATOM 1482 CB MET A 91 -4.015 -3.884 -8.830 1.00 0.52 C ATOM 1483 CG MET A 91 -4.506 -2.749 -7.920 1.00 0.48 C ATOM 1484 SD MET A 91 -4.091 -3.138 -6.200 1.00 0.55 S ATOM 1485 CE MET A 91 -3.727 -1.450 -5.657 1.00 0.60 C ATOM 0 H MET A 91 -6.263 -5.122 -9.049 1.00 0.43 H new ATOM 0 HA MET A 91 -4.938 -2.903 -10.482 1.00 0.49 H new ATOM 0 HB2 MET A 91 -4.093 -4.838 -8.308 1.00 0.52 H new ATOM 0 HB3 MET A 91 -2.962 -3.737 -9.071 1.00 0.52 H new ATOM 0 HG2 MET A 91 -4.044 -1.806 -8.213 1.00 0.48 H new ATOM 0 HG3 MET A 91 -5.583 -2.622 -8.026 1.00 0.48 H new ATOM 0 HE1 MET A 91 -3.444 -1.459 -4.605 1.00 0.60 H new ATOM 0 HE2 MET A 91 -2.907 -1.046 -6.250 1.00 0.60 H new ATOM 0 HE3 MET A 91 -4.611 -0.827 -5.789 1.00 0.60 H new ATOM 1495 N GLN A 92 -4.168 -6.088 -10.937 1.00 0.56 N ATOM 1496 CA GLN A 92 -3.541 -6.998 -11.935 1.00 0.62 C ATOM 1497 C GLN A 92 -4.102 -6.615 -13.306 1.00 0.61 C ATOM 1498 O GLN A 92 -3.444 -6.739 -14.320 1.00 0.69 O ATOM 1499 CB GLN A 92 -3.891 -8.468 -11.601 1.00 0.64 C ATOM 1500 CG GLN A 92 -2.713 -9.156 -10.898 1.00 0.66 C ATOM 1501 CD GLN A 92 -1.528 -9.261 -11.861 1.00 0.68 C ATOM 1502 OE1 GLN A 92 -0.434 -8.836 -11.546 1.00 0.72 O ATOM 1503 NE2 GLN A 92 -1.701 -9.813 -13.031 1.00 0.67 N ATOM 0 H GLN A 92 -4.584 -6.547 -10.126 1.00 0.56 H new ATOM 0 HA GLN A 92 -2.455 -6.903 -11.924 1.00 0.62 H new ATOM 0 HB2 GLN A 92 -4.773 -8.501 -10.962 1.00 0.64 H new ATOM 0 HB3 GLN A 92 -4.140 -9.005 -12.516 1.00 0.64 H new ATOM 0 HG2 GLN A 92 -2.425 -8.590 -10.012 1.00 0.66 H new ATOM 0 HG3 GLN A 92 -3.008 -10.149 -10.560 1.00 0.66 H new ATOM 0 HE21 GLN A 92 -2.619 -10.170 -13.296 1.00 0.67 H new ATOM 0 HE22 GLN A 92 -0.918 -9.888 -13.681 1.00 0.67 H new ATOM 1512 N ASP A 93 -5.314 -6.121 -13.329 1.00 0.54 N ATOM 1513 CA ASP A 93 -5.916 -5.696 -14.620 1.00 0.54 C ATOM 1514 C ASP A 93 -5.415 -4.290 -14.926 1.00 0.55 C ATOM 1515 O ASP A 93 -4.859 -4.021 -15.972 1.00 0.62 O ATOM 1516 CB ASP A 93 -7.451 -5.696 -14.483 1.00 0.50 C ATOM 1517 CG ASP A 93 -8.106 -6.102 -15.809 1.00 0.61 C ATOM 1518 OD1 ASP A 93 -7.705 -5.571 -16.832 1.00 0.75 O ATOM 1519 OD2 ASP A 93 -8.996 -6.935 -15.777 1.00 0.80 O ATOM 0 H ASP A 93 -5.908 -5.995 -12.509 1.00 0.54 H new ATOM 0 HA ASP A 93 -5.637 -6.375 -15.426 1.00 0.54 H new ATOM 0 HB2 ASP A 93 -7.752 -6.386 -13.695 1.00 0.50 H new ATOM 0 HB3 ASP A 93 -7.796 -4.705 -14.188 1.00 0.50 H new ATOM 1524 N GLY A 94 -5.600 -3.399 -14.000 1.00 0.54 N ATOM 1525 CA GLY A 94 -5.127 -2.005 -14.204 1.00 0.61 C ATOM 1526 C GLY A 94 -3.618 -2.018 -14.451 1.00 0.73 C ATOM 1527 O GLY A 94 -3.016 -0.990 -14.691 1.00 0.82 O ATOM 0 H GLY A 94 -6.060 -3.575 -13.107 1.00 0.54 H new ATOM 0 HA2 GLY A 94 -5.643 -1.554 -15.052 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -5.359 -1.398 -13.329 1.00 0.61 H new ATOM 1531 N GLY A 95 -2.999 -3.180 -14.402 1.00 0.80 N ATOM 1532 CA GLY A 95 -1.517 -3.267 -14.643 1.00 0.94 C ATOM 1533 C GLY A 95 -0.829 -3.991 -13.480 1.00 0.92 C ATOM 1534 O GLY A 95 -0.874 -5.200 -13.384 1.00 0.91 O ATOM 0 H GLY A 95 -3.456 -4.071 -14.206 1.00 0.80 H new ATOM 0 HA2 GLY A 95 -1.324 -3.798 -15.575 1.00 0.94 H new ATOM 0 HA3 GLY A 95 -1.101 -2.266 -14.754 1.00 0.94 H new ATOM 1538 N LEU A 96 -0.184 -3.253 -12.606 1.00 0.92 N ATOM 1539 CA LEU A 96 0.528 -3.866 -11.440 1.00 0.91 C ATOM 1540 C LEU A 96 1.748 -4.662 -11.922 1.00 0.94 C ATOM 1541 O LEU A 96 2.691 -4.870 -11.188 1.00 0.95 O ATOM 1542 CB LEU A 96 -0.436 -4.787 -10.692 1.00 0.89 C ATOM 1543 CG LEU A 96 0.033 -5.003 -9.238 1.00 0.87 C ATOM 1544 CD1 LEU A 96 -0.016 -3.677 -8.443 1.00 0.93 C ATOM 1545 CD2 LEU A 96 -0.879 -6.043 -8.564 1.00 0.86 C ATOM 0 H LEU A 96 -0.121 -2.236 -12.653 1.00 0.92 H new ATOM 0 HA LEU A 96 0.873 -3.077 -10.771 1.00 0.91 H new ATOM 0 HB2 LEU A 96 -1.437 -4.355 -10.696 1.00 0.89 H new ATOM 0 HB3 LEU A 96 -0.501 -5.747 -11.205 1.00 0.89 H new ATOM 0 HG LEU A 96 1.063 -5.360 -9.249 1.00 0.87 H new ATOM 0 HD11 LEU A 96 0.319 -3.853 -7.421 1.00 0.93 H new ATOM 0 HD12 LEU A 96 0.637 -2.944 -8.917 1.00 0.93 H new ATOM 0 HD13 LEU A 96 -1.038 -3.298 -8.430 1.00 0.93 H new ATOM 0 HD21 LEU A 96 -0.553 -6.201 -7.536 1.00 0.86 H new ATOM 0 HD22 LEU A 96 -1.907 -5.682 -8.567 1.00 0.86 H new ATOM 0 HD23 LEU A 96 -0.823 -6.984 -9.111 1.00 0.86 H new ATOM 1557 N GLU A 97 1.719 -5.096 -13.151 1.00 0.96 N ATOM 1558 CA GLU A 97 2.855 -5.876 -13.746 1.00 1.00 C ATOM 1559 C GLU A 97 2.952 -7.270 -13.115 1.00 0.99 C ATOM 1560 O GLU A 97 1.985 -8.004 -13.071 1.00 0.99 O ATOM 1561 CB GLU A 97 4.186 -5.129 -13.565 1.00 1.05 C ATOM 1562 CG GLU A 97 4.024 -3.671 -14.006 1.00 1.13 C ATOM 1563 CD GLU A 97 5.352 -2.933 -13.825 1.00 1.25 C ATOM 1564 OE1 GLU A 97 5.797 -2.826 -12.694 1.00 1.27 O ATOM 1565 OE2 GLU A 97 5.901 -2.489 -14.819 1.00 1.37 O ATOM 0 H GLU A 97 0.938 -4.941 -13.788 1.00 0.96 H new ATOM 0 HA GLU A 97 2.656 -5.987 -14.812 1.00 1.00 H new ATOM 0 HB2 GLU A 97 4.499 -5.171 -12.522 1.00 1.05 H new ATOM 0 HB3 GLU A 97 4.968 -5.612 -14.152 1.00 1.05 H new ATOM 0 HG2 GLU A 97 3.711 -3.628 -15.049 1.00 1.13 H new ATOM 0 HG3 GLU A 97 3.244 -3.187 -13.419 1.00 1.13 H new ATOM 1572 N LYS A 98 4.124 -7.649 -12.659 1.00 1.02 N ATOM 1573 CA LYS A 98 4.316 -9.012 -12.057 1.00 1.01 C ATOM 1574 C LYS A 98 4.651 -8.898 -10.553 1.00 1.00 C ATOM 1575 O LYS A 98 5.808 -8.761 -10.210 1.00 1.04 O ATOM 1576 CB LYS A 98 5.495 -9.689 -12.763 1.00 1.08 C ATOM 1577 CG LYS A 98 5.323 -9.562 -14.282 1.00 1.09 C ATOM 1578 CD LYS A 98 6.368 -10.429 -15.014 1.00 1.13 C ATOM 1579 CE LYS A 98 5.840 -11.858 -15.196 1.00 1.16 C ATOM 1580 NZ LYS A 98 6.982 -12.779 -15.461 1.00 1.18 N ATOM 0 H LYS A 98 4.963 -7.069 -12.678 1.00 1.02 H new ATOM 0 HA LYS A 98 3.398 -9.588 -12.177 1.00 1.01 H new ATOM 0 HB2 LYS A 98 6.432 -9.227 -12.453 1.00 1.08 H new ATOM 0 HB3 LYS A 98 5.548 -10.740 -12.479 1.00 1.08 H new ATOM 0 HG2 LYS A 98 4.318 -9.873 -14.568 1.00 1.09 H new ATOM 0 HG3 LYS A 98 5.432 -8.520 -14.581 1.00 1.09 H new ATOM 0 HD2 LYS A 98 6.597 -9.992 -15.986 1.00 1.13 H new ATOM 0 HD3 LYS A 98 7.298 -10.447 -14.446 1.00 1.13 H new ATOM 0 HE2 LYS A 98 5.303 -12.175 -14.302 1.00 1.16 H new ATOM 0 HE3 LYS A 98 5.131 -11.893 -16.023 1.00 1.16 H new ATOM 0 HZ1 LYS A 98 6.625 -13.748 -15.585 1.00 1.18 H new ATOM 0 HZ2 LYS A 98 7.476 -12.479 -16.326 1.00 1.18 H new ATOM 0 HZ3 LYS A 98 7.642 -12.753 -14.658 1.00 1.18 H new ATOM 1594 N PRO A 99 3.653 -8.965 -9.687 1.00 0.93 N ATOM 1595 CA PRO A 99 3.897 -8.874 -8.233 1.00 0.91 C ATOM 1596 C PRO A 99 4.699 -10.098 -7.769 1.00 0.98 C ATOM 1597 O PRO A 99 4.789 -11.089 -8.467 1.00 1.02 O ATOM 1598 CB PRO A 99 2.491 -8.844 -7.589 1.00 0.84 C ATOM 1599 CG PRO A 99 1.452 -8.988 -8.739 1.00 0.82 C ATOM 1600 CD PRO A 99 2.233 -9.123 -10.063 1.00 0.88 C ATOM 0 HA PRO A 99 4.476 -7.993 -7.954 1.00 0.91 H new ATOM 0 HB2 PRO A 99 2.381 -9.654 -6.868 1.00 0.84 H new ATOM 0 HB3 PRO A 99 2.337 -7.911 -7.046 1.00 0.84 H new ATOM 0 HG2 PRO A 99 0.821 -9.862 -8.577 1.00 0.82 H new ATOM 0 HG3 PRO A 99 0.793 -8.120 -8.770 1.00 0.82 H new ATOM 0 HD2 PRO A 99 2.054 -10.091 -10.530 1.00 0.88 H new ATOM 0 HD3 PRO A 99 1.928 -8.362 -10.781 1.00 0.88 H new ATOM 1608 N LYS A 100 5.288 -10.027 -6.599 1.00 0.98 N ATOM 1609 CA LYS A 100 6.102 -11.172 -6.072 1.00 1.05 C ATOM 1610 C LYS A 100 5.441 -11.829 -4.834 1.00 1.02 C ATOM 1611 O LYS A 100 5.533 -13.031 -4.683 1.00 1.04 O ATOM 1612 CB LYS A 100 7.511 -10.656 -5.700 1.00 1.11 C ATOM 1613 CG LYS A 100 8.558 -11.761 -5.923 1.00 1.18 C ATOM 1614 CD LYS A 100 9.883 -11.387 -5.229 1.00 1.25 C ATOM 1615 CE LYS A 100 9.864 -11.840 -3.763 1.00 1.22 C ATOM 1616 NZ LYS A 100 9.621 -13.309 -3.699 1.00 1.30 N ATOM 0 H LYS A 100 5.240 -9.218 -5.980 1.00 0.98 H new ATOM 0 HA LYS A 100 6.167 -11.933 -6.850 1.00 1.05 H new ATOM 0 HB2 LYS A 100 7.758 -9.784 -6.305 1.00 1.11 H new ATOM 0 HB3 LYS A 100 7.526 -10.336 -4.658 1.00 1.11 H new ATOM 0 HG2 LYS A 100 8.188 -12.708 -5.530 1.00 1.18 H new ATOM 0 HG3 LYS A 100 8.726 -11.903 -6.991 1.00 1.18 H new ATOM 0 HD2 LYS A 100 10.719 -11.854 -5.750 1.00 1.25 H new ATOM 0 HD3 LYS A 100 10.037 -10.309 -5.282 1.00 1.25 H new ATOM 0 HE2 LYS A 100 10.812 -11.596 -3.284 1.00 1.22 H new ATOM 0 HE3 LYS A 100 9.085 -11.308 -3.217 1.00 1.22 H new ATOM 0 HZ1 LYS A 100 10.085 -13.701 -2.855 1.00 1.30 H new ATOM 0 HZ2 LYS A 100 8.598 -13.490 -3.647 1.00 1.30 H new ATOM 0 HZ3 LYS A 100 10.010 -13.763 -4.550 1.00 1.30 H new ATOM 1630 N PRO A 101 4.820 -11.051 -3.962 1.00 0.97 N ATOM 1631 CA PRO A 101 4.198 -11.599 -2.743 1.00 0.95 C ATOM 1632 C PRO A 101 2.769 -12.051 -3.068 1.00 0.89 C ATOM 1633 O PRO A 101 2.474 -12.414 -4.190 1.00 0.89 O ATOM 1634 CB PRO A 101 4.223 -10.402 -1.793 1.00 0.92 C ATOM 1635 CG PRO A 101 4.184 -9.147 -2.675 1.00 0.92 C ATOM 1636 CD PRO A 101 4.671 -9.581 -4.081 1.00 0.95 C ATOM 0 HA PRO A 101 4.698 -12.470 -2.320 1.00 0.95 H new ATOM 0 HB2 PRO A 101 3.370 -10.427 -1.115 1.00 0.92 H new ATOM 0 HB3 PRO A 101 5.121 -10.415 -1.176 1.00 0.92 H new ATOM 0 HG2 PRO A 101 3.175 -8.738 -2.723 1.00 0.92 H new ATOM 0 HG3 PRO A 101 4.825 -8.366 -2.267 1.00 0.92 H new ATOM 0 HD2 PRO A 101 3.952 -9.313 -4.855 1.00 0.95 H new ATOM 0 HD3 PRO A 101 5.615 -9.103 -4.343 1.00 0.95 H new ATOM 1644 N ARG A 102 1.876 -12.045 -2.113 1.00 0.84 N ATOM 1645 CA ARG A 102 0.475 -12.491 -2.409 1.00 0.79 C ATOM 1646 C ARG A 102 -0.521 -11.782 -1.452 1.00 0.71 C ATOM 1647 O ARG A 102 -0.133 -11.375 -0.378 1.00 0.71 O ATOM 1648 CB ARG A 102 0.423 -14.032 -2.295 1.00 0.83 C ATOM 1649 CG ARG A 102 -0.456 -14.500 -1.136 1.00 0.92 C ATOM 1650 CD ARG A 102 -0.435 -16.021 -1.103 1.00 0.96 C ATOM 1651 NE ARG A 102 -1.232 -16.577 -2.251 1.00 1.05 N ATOM 1652 CZ ARG A 102 -2.506 -16.324 -2.399 1.00 1.11 C ATOM 1653 NH1 ARG A 102 -3.168 -15.685 -1.476 1.00 1.09 N ATOM 1654 NH2 ARG A 102 -3.129 -16.751 -3.463 1.00 1.18 N ATOM 0 H ARG A 102 2.049 -11.755 -1.151 1.00 0.84 H new ATOM 0 HA ARG A 102 0.180 -12.214 -3.421 1.00 0.79 H new ATOM 0 HB2 ARG A 102 0.044 -14.450 -3.227 1.00 0.83 H new ATOM 0 HB3 ARG A 102 1.433 -14.418 -2.160 1.00 0.83 H new ATOM 0 HG2 ARG A 102 -0.088 -14.095 -0.193 1.00 0.92 H new ATOM 0 HG3 ARG A 102 -1.476 -14.137 -1.263 1.00 0.92 H new ATOM 0 HD2 ARG A 102 0.593 -16.379 -1.158 1.00 0.96 H new ATOM 0 HD3 ARG A 102 -0.847 -16.377 -0.159 1.00 0.96 H new ATOM 0 HE ARG A 102 -0.764 -17.170 -2.936 1.00 1.05 H new ATOM 0 HH11 ARG A 102 -2.692 -15.377 -0.628 1.00 1.09 H new ATOM 0 HH12 ARG A 102 -4.162 -15.493 -1.602 1.00 1.09 H new ATOM 0 HH21 ARG A 102 -2.622 -17.279 -4.173 1.00 1.18 H new ATOM 0 HH22 ARG A 102 -4.123 -16.557 -3.584 1.00 1.18 H new ATOM 1668 N PRO A 103 -1.779 -11.662 -1.875 1.00 0.66 N ATOM 1669 CA PRO A 103 -2.847 -11.002 -1.078 1.00 0.59 C ATOM 1670 C PRO A 103 -2.733 -11.305 0.420 1.00 0.59 C ATOM 1671 O PRO A 103 -3.065 -10.483 1.251 1.00 0.55 O ATOM 1672 CB PRO A 103 -4.152 -11.558 -1.676 1.00 0.57 C ATOM 1673 CG PRO A 103 -3.796 -12.094 -3.090 1.00 0.61 C ATOM 1674 CD PRO A 103 -2.256 -12.184 -3.175 1.00 0.67 C ATOM 0 HA PRO A 103 -2.787 -9.915 -1.135 1.00 0.59 H new ATOM 0 HB2 PRO A 103 -4.557 -12.353 -1.050 1.00 0.57 H new ATOM 0 HB3 PRO A 103 -4.913 -10.780 -1.736 1.00 0.57 H new ATOM 0 HG2 PRO A 103 -4.247 -13.072 -3.255 1.00 0.61 H new ATOM 0 HG3 PRO A 103 -4.185 -11.430 -3.862 1.00 0.61 H new ATOM 0 HD2 PRO A 103 -1.927 -13.211 -3.335 1.00 0.67 H new ATOM 0 HD3 PRO A 103 -1.870 -11.593 -4.005 1.00 0.67 H new ATOM 1682 N GLU A 104 -2.268 -12.461 0.775 1.00 0.64 N ATOM 1683 CA GLU A 104 -2.137 -12.787 2.221 1.00 0.65 C ATOM 1684 C GLU A 104 -0.914 -12.063 2.761 1.00 0.67 C ATOM 1685 O GLU A 104 -0.993 -11.284 3.687 1.00 0.65 O ATOM 1686 CB GLU A 104 -1.957 -14.298 2.398 1.00 0.71 C ATOM 1687 CG GLU A 104 -3.246 -15.017 1.995 1.00 0.71 C ATOM 1688 CD GLU A 104 -3.149 -16.499 2.365 1.00 0.78 C ATOM 1689 OE1 GLU A 104 -3.258 -16.805 3.541 1.00 0.81 O ATOM 1690 OE2 GLU A 104 -2.970 -17.303 1.465 1.00 0.82 O ATOM 0 H GLU A 104 -1.972 -13.196 0.132 1.00 0.64 H new ATOM 0 HA GLU A 104 -3.032 -12.475 2.759 1.00 0.65 H new ATOM 0 HB2 GLU A 104 -1.126 -14.650 1.787 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.710 -14.526 3.435 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -4.100 -14.562 2.498 1.00 0.71 H new ATOM 0 HG3 GLU A 104 -3.413 -14.910 0.923 1.00 0.71 H new ATOM 1697 N ASP A 105 0.208 -12.313 2.158 1.00 0.73 N ATOM 1698 CA ASP A 105 1.480 -11.668 2.576 1.00 0.78 C ATOM 1699 C ASP A 105 1.239 -10.185 2.875 1.00 0.73 C ATOM 1700 O ASP A 105 1.960 -9.565 3.622 1.00 0.77 O ATOM 1701 CB ASP A 105 2.480 -11.813 1.424 1.00 0.83 C ATOM 1702 CG ASP A 105 2.322 -13.195 0.786 1.00 0.88 C ATOM 1703 OD1 ASP A 105 1.725 -14.052 1.417 1.00 0.94 O ATOM 1704 OD2 ASP A 105 2.802 -13.374 -0.321 1.00 0.86 O ATOM 0 H ASP A 105 0.300 -12.955 1.371 1.00 0.73 H new ATOM 0 HA ASP A 105 1.868 -12.141 3.478 1.00 0.78 H new ATOM 0 HB2 ASP A 105 2.310 -11.035 0.680 1.00 0.83 H new ATOM 0 HB3 ASP A 105 3.498 -11.684 1.793 1.00 0.83 H new ATOM 1709 N ILE A 106 0.215 -9.616 2.309 1.00 0.67 N ATOM 1710 CA ILE A 106 -0.082 -8.174 2.581 1.00 0.64 C ATOM 1711 C ILE A 106 -0.890 -8.114 3.883 1.00 0.59 C ATOM 1712 O ILE A 106 -0.409 -7.676 4.909 1.00 0.61 O ATOM 1713 CB ILE A 106 -0.901 -7.558 1.410 1.00 0.61 C ATOM 1714 CG1 ILE A 106 -0.684 -8.351 0.114 1.00 0.64 C ATOM 1715 CG2 ILE A 106 -0.480 -6.108 1.158 1.00 0.62 C ATOM 1716 CD1 ILE A 106 0.791 -8.295 -0.305 1.00 0.72 C ATOM 0 H ILE A 106 -0.431 -10.080 1.671 1.00 0.67 H new ATOM 0 HA ILE A 106 0.842 -7.603 2.673 1.00 0.64 H new ATOM 0 HB ILE A 106 -1.952 -7.597 1.696 1.00 0.61 H new ATOM 0 HG12 ILE A 106 -0.989 -9.387 0.259 1.00 0.64 H new ATOM 0 HG13 ILE A 106 -1.310 -7.943 -0.679 1.00 0.64 H new ATOM 0 HG21 ILE A 106 -1.065 -5.697 0.335 1.00 0.62 H new ATOM 0 HG22 ILE A 106 -0.653 -5.517 2.057 1.00 0.62 H new ATOM 0 HG23 ILE A 106 0.579 -6.076 0.902 1.00 0.62 H new ATOM 0 HD11 ILE A 106 0.929 -8.862 -1.226 1.00 0.72 H new ATOM 0 HD12 ILE A 106 1.083 -7.258 -0.470 1.00 0.72 H new ATOM 0 HD13 ILE A 106 1.410 -8.725 0.483 1.00 0.72 H new ATOM 1728 N VAL A 107 -2.111 -8.587 3.843 1.00 0.54 N ATOM 1729 CA VAL A 107 -2.966 -8.606 5.071 1.00 0.51 C ATOM 1730 C VAL A 107 -2.132 -9.126 6.247 1.00 0.53 C ATOM 1731 O VAL A 107 -2.371 -8.800 7.393 1.00 0.50 O ATOM 1732 CB VAL A 107 -4.108 -9.611 4.820 1.00 0.49 C ATOM 1733 CG1 VAL A 107 -4.825 -9.999 6.126 1.00 0.48 C ATOM 1734 CG2 VAL A 107 -5.113 -9.018 3.842 1.00 0.46 C ATOM 0 H VAL A 107 -2.556 -8.964 3.006 1.00 0.54 H new ATOM 0 HA VAL A 107 -3.348 -7.609 5.291 1.00 0.51 H new ATOM 0 HB VAL A 107 -3.667 -10.514 4.398 1.00 0.49 H new ATOM 0 HG11 VAL A 107 -5.623 -10.708 5.906 1.00 0.48 H new ATOM 0 HG12 VAL A 107 -4.111 -10.457 6.811 1.00 0.48 H new ATOM 0 HG13 VAL A 107 -5.249 -9.107 6.587 1.00 0.48 H new ATOM 0 HG21 VAL A 107 -5.917 -9.733 3.669 1.00 0.46 H new ATOM 0 HG22 VAL A 107 -5.527 -8.100 4.258 1.00 0.46 H new ATOM 0 HG23 VAL A 107 -4.615 -8.796 2.898 1.00 0.46 H new ATOM 1744 N ASN A 108 -1.185 -9.973 5.958 1.00 0.59 N ATOM 1745 CA ASN A 108 -0.350 -10.581 7.033 1.00 0.63 C ATOM 1746 C ASN A 108 0.355 -9.491 7.852 1.00 0.63 C ATOM 1747 O ASN A 108 1.196 -9.781 8.680 1.00 0.66 O ATOM 1748 CB ASN A 108 0.704 -11.505 6.377 1.00 0.69 C ATOM 1749 CG ASN A 108 1.034 -12.678 7.309 1.00 1.07 C ATOM 1750 OD1 ASN A 108 0.149 -13.286 7.876 1.00 1.33 O ATOM 1751 ND2 ASN A 108 2.281 -13.021 7.488 1.00 1.35 N ATOM 0 H ASN A 108 -0.950 -10.274 5.012 1.00 0.59 H new ATOM 0 HA ASN A 108 -0.988 -11.154 7.706 1.00 0.63 H new ATOM 0 HB2 ASN A 108 0.327 -11.882 5.426 1.00 0.69 H new ATOM 0 HB3 ASN A 108 1.609 -10.939 6.159 1.00 0.69 H new ATOM 0 HD21 ASN A 108 2.512 -13.800 8.104 1.00 1.35 H new ATOM 0 HD22 ASN A 108 3.024 -12.510 7.011 1.00 1.35 H new ATOM 1758 N CYS A 109 0.023 -8.247 7.637 1.00 0.61 N ATOM 1759 CA CYS A 109 0.674 -7.152 8.410 1.00 0.63 C ATOM 1760 C CYS A 109 2.196 -7.260 8.285 1.00 0.70 C ATOM 1761 O CYS A 109 2.923 -6.443 8.816 1.00 0.85 O ATOM 1762 CB CYS A 109 0.272 -7.255 9.883 1.00 0.62 C ATOM 1763 SG CYS A 109 1.005 -5.882 10.806 1.00 0.66 S ATOM 0 H CYS A 109 -0.673 -7.941 6.957 1.00 0.61 H new ATOM 0 HA CYS A 109 0.350 -6.191 8.011 1.00 0.63 H new ATOM 0 HB2 CYS A 109 -0.814 -7.232 9.977 1.00 0.62 H new ATOM 0 HB3 CYS A 109 0.608 -8.206 10.297 1.00 0.62 H new ATOM 0 HG CYS A 109 2.119 -5.524 10.239 1.00 0.66 H new ATOM 1769 N ASP A 110 2.698 -8.242 7.577 1.00 0.72 N ATOM 1770 CA ASP A 110 4.161 -8.349 7.431 1.00 0.79 C ATOM 1771 C ASP A 110 4.623 -7.148 6.634 1.00 0.81 C ATOM 1772 O ASP A 110 3.849 -6.511 5.950 1.00 0.80 O ATOM 1773 CB ASP A 110 4.550 -9.644 6.703 1.00 0.84 C ATOM 1774 CG ASP A 110 3.927 -9.683 5.307 1.00 0.85 C ATOM 1775 OD1 ASP A 110 3.842 -8.639 4.682 1.00 0.88 O ATOM 1776 OD2 ASP A 110 3.555 -10.763 4.881 1.00 0.98 O ATOM 0 H ASP A 110 2.154 -8.963 7.102 1.00 0.72 H new ATOM 0 HA ASP A 110 4.634 -8.374 8.413 1.00 0.79 H new ATOM 0 HB2 ASP A 110 5.635 -9.712 6.625 1.00 0.84 H new ATOM 0 HB3 ASP A 110 4.217 -10.507 7.280 1.00 0.84 H new ATOM 1781 N LEU A 111 5.867 -6.831 6.719 1.00 0.89 N ATOM 1782 CA LEU A 111 6.400 -5.670 5.976 1.00 0.93 C ATOM 1783 C LEU A 111 7.028 -6.164 4.681 1.00 0.97 C ATOM 1784 O LEU A 111 6.708 -5.713 3.623 1.00 0.96 O ATOM 1785 CB LEU A 111 7.460 -4.976 6.846 1.00 1.02 C ATOM 1786 CG LEU A 111 6.781 -4.008 7.840 1.00 1.06 C ATOM 1787 CD1 LEU A 111 7.677 -3.809 9.064 1.00 1.09 C ATOM 1788 CD2 LEU A 111 6.544 -2.647 7.172 1.00 1.12 C ATOM 0 H LEU A 111 6.554 -7.334 7.281 1.00 0.89 H new ATOM 0 HA LEU A 111 5.604 -4.963 5.742 1.00 0.93 H new ATOM 0 HB2 LEU A 111 8.039 -5.721 7.391 1.00 1.02 H new ATOM 0 HB3 LEU A 111 8.159 -4.429 6.214 1.00 1.02 H new ATOM 0 HG LEU A 111 5.826 -4.436 8.146 1.00 1.06 H new ATOM 0 HD11 LEU A 111 7.193 -3.125 9.762 1.00 1.09 H new ATOM 0 HD12 LEU A 111 7.844 -4.769 9.553 1.00 1.09 H new ATOM 0 HD13 LEU A 111 8.634 -3.391 8.751 1.00 1.09 H new ATOM 0 HD21 LEU A 111 6.065 -1.972 7.881 1.00 1.12 H new ATOM 0 HD22 LEU A 111 7.498 -2.225 6.857 1.00 1.12 H new ATOM 0 HD23 LEU A 111 5.900 -2.776 6.302 1.00 1.12 H new ATOM 1800 N LYS A 112 7.932 -7.082 4.787 1.00 1.00 N ATOM 1801 CA LYS A 112 8.647 -7.620 3.596 1.00 1.04 C ATOM 1802 C LYS A 112 7.797 -7.611 2.315 1.00 1.02 C ATOM 1803 O LYS A 112 7.952 -6.782 1.443 1.00 1.04 O ATOM 1804 CB LYS A 112 9.012 -9.067 3.929 1.00 1.06 C ATOM 1805 CG LYS A 112 9.850 -9.683 2.793 1.00 1.12 C ATOM 1806 CD LYS A 112 10.826 -10.724 3.356 1.00 1.15 C ATOM 1807 CE LYS A 112 11.729 -11.238 2.233 1.00 1.20 C ATOM 1808 NZ LYS A 112 10.918 -11.453 1.001 1.00 1.17 N ATOM 0 H LYS A 112 8.218 -7.498 5.673 1.00 1.00 H new ATOM 0 HA LYS A 112 9.513 -6.989 3.395 1.00 1.04 H new ATOM 0 HB2 LYS A 112 9.572 -9.102 4.863 1.00 1.06 H new ATOM 0 HB3 LYS A 112 8.105 -9.652 4.079 1.00 1.06 H new ATOM 0 HG2 LYS A 112 9.193 -10.150 2.059 1.00 1.12 H new ATOM 0 HG3 LYS A 112 10.402 -8.900 2.274 1.00 1.12 H new ATOM 0 HD2 LYS A 112 11.430 -10.281 4.148 1.00 1.15 H new ATOM 0 HD3 LYS A 112 10.274 -11.552 3.801 1.00 1.15 H new ATOM 0 HE2 LYS A 112 12.526 -10.521 2.036 1.00 1.20 H new ATOM 0 HE3 LYS A 112 12.207 -12.170 2.534 1.00 1.20 H new ATOM 0 HZ1 LYS A 112 11.390 -12.152 0.392 1.00 1.17 H new ATOM 0 HZ2 LYS A 112 9.974 -11.803 1.263 1.00 1.17 H new ATOM 0 HZ3 LYS A 112 10.823 -10.554 0.487 1.00 1.17 H new ATOM 1822 N SER A 113 6.917 -8.535 2.198 1.00 0.98 N ATOM 1823 CA SER A 113 6.066 -8.632 0.980 1.00 0.96 C ATOM 1824 C SER A 113 5.311 -7.317 0.711 1.00 0.92 C ATOM 1825 O SER A 113 5.412 -6.698 -0.336 1.00 0.94 O ATOM 1826 CB SER A 113 5.049 -9.730 1.268 1.00 0.92 C ATOM 1827 OG SER A 113 4.885 -9.845 2.675 1.00 0.90 O ATOM 0 H SER A 113 6.737 -9.250 2.903 1.00 0.98 H new ATOM 0 HA SER A 113 6.682 -8.841 0.105 1.00 0.96 H new ATOM 0 HB2 SER A 113 4.096 -9.495 0.795 1.00 0.92 H new ATOM 0 HB3 SER A 113 5.388 -10.677 0.849 1.00 0.92 H new ATOM 0 HG SER A 113 4.147 -9.270 2.966 1.00 0.90 H new ATOM 1833 N THR A 114 4.533 -6.929 1.656 1.00 0.88 N ATOM 1834 CA THR A 114 3.711 -5.697 1.536 1.00 0.85 C ATOM 1835 C THR A 114 4.556 -4.572 0.924 1.00 0.89 C ATOM 1836 O THR A 114 4.077 -3.769 0.154 1.00 0.89 O ATOM 1837 CB THR A 114 3.181 -5.337 2.953 1.00 0.81 C ATOM 1838 OG1 THR A 114 1.773 -5.504 2.978 1.00 0.76 O ATOM 1839 CG2 THR A 114 3.508 -3.890 3.342 1.00 0.84 C ATOM 0 H THR A 114 4.422 -7.424 2.541 1.00 0.88 H new ATOM 0 HA THR A 114 2.859 -5.848 0.874 1.00 0.85 H new ATOM 0 HB THR A 114 3.670 -6.000 3.667 1.00 0.81 H new ATOM 0 HG1 THR A 114 1.433 -5.280 3.869 1.00 0.76 H new ATOM 0 HG21 THR A 114 3.118 -3.684 4.339 1.00 0.84 H new ATOM 0 HG22 THR A 114 4.589 -3.748 3.338 1.00 0.84 H new ATOM 0 HG23 THR A 114 3.050 -3.208 2.626 1.00 0.84 H new ATOM 1847 N LEU A 115 5.802 -4.517 1.272 1.00 0.95 N ATOM 1848 CA LEU A 115 6.688 -3.466 0.745 1.00 1.00 C ATOM 1849 C LEU A 115 6.935 -3.708 -0.736 1.00 1.02 C ATOM 1850 O LEU A 115 6.860 -2.793 -1.521 1.00 1.02 O ATOM 1851 CB LEU A 115 8.002 -3.492 1.516 1.00 1.06 C ATOM 1852 CG LEU A 115 7.783 -2.965 2.944 1.00 1.04 C ATOM 1853 CD1 LEU A 115 8.994 -3.333 3.803 1.00 1.09 C ATOM 1854 CD2 LEU A 115 7.593 -1.437 2.940 1.00 1.06 C ATOM 0 H LEU A 115 6.250 -5.172 1.913 1.00 0.95 H new ATOM 0 HA LEU A 115 6.223 -2.488 0.866 1.00 1.00 H new ATOM 0 HB2 LEU A 115 8.393 -4.509 1.551 1.00 1.06 H new ATOM 0 HB3 LEU A 115 8.746 -2.882 1.004 1.00 1.06 H new ATOM 0 HG LEU A 115 6.882 -3.420 3.355 1.00 1.04 H new ATOM 0 HD11 LEU A 115 8.846 -2.963 4.818 1.00 1.09 H new ATOM 0 HD12 LEU A 115 9.108 -4.417 3.825 1.00 1.09 H new ATOM 0 HD13 LEU A 115 9.891 -2.882 3.379 1.00 1.09 H new ATOM 0 HD21 LEU A 115 7.440 -1.087 3.961 1.00 1.06 H new ATOM 0 HD22 LEU A 115 8.480 -0.961 2.522 1.00 1.06 H new ATOM 0 HD23 LEU A 115 6.724 -1.180 2.334 1.00 1.06 H new ATOM 1866 N ARG A 116 7.215 -4.924 -1.152 1.00 1.03 N ATOM 1867 CA ARG A 116 7.429 -5.154 -2.603 1.00 1.05 C ATOM 1868 C ARG A 116 6.297 -4.471 -3.398 1.00 1.01 C ATOM 1869 O ARG A 116 6.528 -3.727 -4.334 1.00 1.04 O ATOM 1870 CB ARG A 116 7.379 -6.666 -2.855 1.00 1.04 C ATOM 1871 CG ARG A 116 8.774 -7.293 -2.765 1.00 1.10 C ATOM 1872 CD ARG A 116 9.238 -7.369 -1.309 1.00 1.10 C ATOM 1873 NE ARG A 116 9.735 -6.021 -0.899 1.00 1.16 N ATOM 1874 CZ ARG A 116 10.188 -5.826 0.303 1.00 1.17 C ATOM 1875 NH1 ARG A 116 10.264 -6.827 1.132 1.00 1.13 N ATOM 1876 NH2 ARG A 116 10.585 -4.638 0.670 1.00 1.23 N ATOM 0 H ARG A 116 7.301 -5.747 -0.556 1.00 1.03 H new ATOM 0 HA ARG A 116 8.389 -4.745 -2.917 1.00 1.05 H new ATOM 0 HB2 ARG A 116 6.719 -7.136 -2.126 1.00 1.04 H new ATOM 0 HB3 ARG A 116 6.955 -6.859 -3.840 1.00 1.04 H new ATOM 0 HG2 ARG A 116 8.758 -8.292 -3.200 1.00 1.10 H new ATOM 0 HG3 ARG A 116 9.482 -6.703 -3.347 1.00 1.10 H new ATOM 0 HD2 ARG A 116 8.416 -7.682 -0.665 1.00 1.10 H new ATOM 0 HD3 ARG A 116 10.028 -8.113 -1.201 1.00 1.10 H new ATOM 0 HE ARG A 116 9.719 -5.250 -1.566 1.00 1.16 H new ATOM 0 HH11 ARG A 116 9.969 -7.758 0.836 1.00 1.13 H new ATOM 0 HH12 ARG A 116 10.619 -6.681 2.077 1.00 1.13 H new ATOM 0 HH21 ARG A 116 10.540 -3.860 0.012 1.00 1.23 H new ATOM 0 HH22 ARG A 116 10.940 -4.488 1.614 1.00 1.23 H new ATOM 1890 N VAL A 117 5.078 -4.747 -3.029 1.00 0.95 N ATOM 1891 CA VAL A 117 3.908 -4.160 -3.749 1.00 0.91 C ATOM 1892 C VAL A 117 3.822 -2.645 -3.548 1.00 0.92 C ATOM 1893 O VAL A 117 3.748 -1.897 -4.502 1.00 0.94 O ATOM 1894 CB VAL A 117 2.621 -4.821 -3.241 1.00 0.85 C ATOM 1895 CG1 VAL A 117 1.396 -4.094 -3.812 1.00 0.82 C ATOM 1896 CG2 VAL A 117 2.596 -6.289 -3.686 1.00 0.85 C ATOM 0 H VAL A 117 4.837 -5.361 -2.251 1.00 0.95 H new ATOM 0 HA VAL A 117 4.035 -4.347 -4.815 1.00 0.91 H new ATOM 0 HB VAL A 117 2.594 -4.764 -2.153 1.00 0.85 H new ATOM 0 HG11 VAL A 117 0.487 -4.571 -3.446 1.00 0.82 H new ATOM 0 HG12 VAL A 117 1.412 -3.051 -3.496 1.00 0.82 H new ATOM 0 HG13 VAL A 117 1.418 -4.143 -4.901 1.00 0.82 H new ATOM 0 HG21 VAL A 117 1.682 -6.763 -3.327 1.00 0.85 H new ATOM 0 HG22 VAL A 117 2.627 -6.340 -4.774 1.00 0.85 H new ATOM 0 HG23 VAL A 117 3.461 -6.809 -3.274 1.00 0.85 H new ATOM 1906 N LEU A 118 3.803 -2.182 -2.330 1.00 0.91 N ATOM 1907 CA LEU A 118 3.691 -0.708 -2.108 1.00 0.92 C ATOM 1908 C LEU A 118 4.712 0.000 -2.996 1.00 0.98 C ATOM 1909 O LEU A 118 4.408 0.980 -3.632 1.00 1.00 O ATOM 1910 CB LEU A 118 3.925 -0.356 -0.615 1.00 0.92 C ATOM 1911 CG LEU A 118 2.593 -0.010 0.083 1.00 0.86 C ATOM 1912 CD1 LEU A 118 1.923 1.214 -0.591 1.00 0.86 C ATOM 1913 CD2 LEU A 118 1.657 -1.232 0.031 1.00 0.81 C ATOM 0 H LEU A 118 3.859 -2.750 -1.485 1.00 0.91 H new ATOM 0 HA LEU A 118 2.686 -0.376 -2.369 1.00 0.92 H new ATOM 0 HB2 LEU A 118 4.398 -1.197 -0.108 1.00 0.92 H new ATOM 0 HB3 LEU A 118 4.610 0.488 -0.539 1.00 0.92 H new ATOM 0 HG LEU A 118 2.793 0.247 1.123 1.00 0.86 H new ATOM 0 HD11 LEU A 118 0.985 1.441 -0.083 1.00 0.86 H new ATOM 0 HD12 LEU A 118 2.588 2.075 -0.526 1.00 0.86 H new ATOM 0 HD13 LEU A 118 1.723 0.988 -1.639 1.00 0.86 H new ATOM 0 HD21 LEU A 118 0.715 -0.990 0.524 1.00 0.81 H new ATOM 0 HD22 LEU A 118 1.465 -1.499 -1.008 1.00 0.81 H new ATOM 0 HD23 LEU A 118 2.128 -2.073 0.541 1.00 0.81 H new ATOM 1925 N TYR A 119 5.907 -0.507 -3.074 1.00 1.03 N ATOM 1926 CA TYR A 119 6.916 0.126 -3.959 1.00 1.09 C ATOM 1927 C TYR A 119 6.304 0.228 -5.345 1.00 1.08 C ATOM 1928 O TYR A 119 6.242 1.276 -5.950 1.00 1.11 O ATOM 1929 CB TYR A 119 8.147 -0.772 -4.028 1.00 1.13 C ATOM 1930 CG TYR A 119 9.256 -0.048 -4.738 1.00 1.20 C ATOM 1931 CD1 TYR A 119 10.009 0.915 -4.063 1.00 1.24 C ATOM 1932 CD2 TYR A 119 9.525 -0.342 -6.072 1.00 1.24 C ATOM 1933 CE1 TYR A 119 11.041 1.588 -4.730 1.00 1.31 C ATOM 1934 CE2 TYR A 119 10.555 0.327 -6.744 1.00 1.31 C ATOM 1935 CZ TYR A 119 11.314 1.293 -6.072 1.00 1.34 C ATOM 1936 OH TYR A 119 12.330 1.955 -6.731 1.00 1.41 O ATOM 0 H TYR A 119 6.228 -1.330 -2.564 1.00 1.03 H new ATOM 0 HA TYR A 119 7.202 1.109 -3.584 1.00 1.09 H new ATOM 0 HB2 TYR A 119 8.465 -1.050 -3.023 1.00 1.13 H new ATOM 0 HB3 TYR A 119 7.907 -1.696 -4.553 1.00 1.13 H new ATOM 0 HD1 TYR A 119 9.796 1.141 -3.028 1.00 1.24 H new ATOM 0 HD2 TYR A 119 8.938 -1.087 -6.589 1.00 1.24 H new ATOM 0 HE1 TYR A 119 11.625 2.333 -4.210 1.00 1.31 H new ATOM 0 HE2 TYR A 119 10.764 0.098 -7.779 1.00 1.31 H new ATOM 0 HH TYR A 119 12.387 1.631 -7.654 1.00 1.41 H new ATOM 1946 N ASN A 120 5.838 -0.880 -5.829 1.00 1.06 N ATOM 1947 CA ASN A 120 5.195 -0.924 -7.168 1.00 1.05 C ATOM 1948 C ASN A 120 4.219 0.266 -7.315 1.00 1.03 C ATOM 1949 O ASN A 120 4.135 0.898 -8.356 1.00 1.05 O ATOM 1950 CB ASN A 120 4.432 -2.267 -7.279 1.00 1.01 C ATOM 1951 CG ASN A 120 4.573 -2.848 -8.693 1.00 1.04 C ATOM 1952 OD1 ASN A 120 5.180 -3.884 -8.879 1.00 1.06 O ATOM 1953 ND2 ASN A 120 4.035 -2.217 -9.701 1.00 1.06 N ATOM 0 H ASN A 120 5.875 -1.777 -5.345 1.00 1.06 H new ATOM 0 HA ASN A 120 5.940 -0.851 -7.960 1.00 1.05 H new ATOM 0 HB2 ASN A 120 4.821 -2.975 -6.548 1.00 1.01 H new ATOM 0 HB3 ASN A 120 3.378 -2.114 -7.045 1.00 1.01 H new ATOM 0 HD21 ASN A 120 4.124 -2.594 -10.645 1.00 1.06 H new ATOM 0 HD22 ASN A 120 3.525 -1.347 -9.545 1.00 1.06 H new ATOM 1960 N LEU A 121 3.485 0.578 -6.280 1.00 0.99 N ATOM 1961 CA LEU A 121 2.527 1.713 -6.362 1.00 0.97 C ATOM 1962 C LEU A 121 3.300 3.025 -6.393 1.00 1.03 C ATOM 1963 O LEU A 121 3.217 3.764 -7.342 1.00 1.05 O ATOM 1964 CB LEU A 121 1.606 1.703 -5.140 1.00 0.92 C ATOM 1965 CG LEU A 121 0.423 0.757 -5.377 1.00 0.87 C ATOM 1966 CD1 LEU A 121 0.937 -0.673 -5.548 1.00 0.86 C ATOM 1967 CD2 LEU A 121 -0.524 0.816 -4.177 1.00 0.87 C ATOM 0 H LEU A 121 3.509 0.094 -5.382 1.00 0.99 H new ATOM 0 HA LEU A 121 1.929 1.613 -7.268 1.00 0.97 H new ATOM 0 HB2 LEU A 121 2.163 1.387 -4.258 1.00 0.92 H new ATOM 0 HB3 LEU A 121 1.241 2.711 -4.942 1.00 0.92 H new ATOM 0 HG LEU A 121 -0.109 1.062 -6.278 1.00 0.87 H new ATOM 0 HD11 LEU A 121 0.095 -1.345 -5.716 1.00 0.86 H new ATOM 0 HD12 LEU A 121 1.613 -0.717 -6.402 1.00 0.86 H new ATOM 0 HD13 LEU A 121 1.470 -0.978 -4.648 1.00 0.86 H new ATOM 0 HD21 LEU A 121 -1.366 0.144 -4.344 1.00 0.87 H new ATOM 0 HD22 LEU A 121 0.010 0.512 -3.277 1.00 0.87 H new ATOM 0 HD23 LEU A 121 -0.892 1.835 -4.054 1.00 0.87 H new ATOM 1979 N PHE A 122 4.049 3.316 -5.357 1.00 1.05 N ATOM 1980 CA PHE A 122 4.835 4.586 -5.307 1.00 1.11 C ATOM 1981 C PHE A 122 5.426 4.852 -6.666 1.00 1.16 C ATOM 1982 O PHE A 122 5.648 5.965 -7.069 1.00 1.20 O ATOM 1983 CB PHE A 122 5.981 4.390 -4.292 1.00 1.14 C ATOM 1984 CG PHE A 122 6.234 5.646 -3.515 1.00 1.18 C ATOM 1985 CD1 PHE A 122 5.434 5.914 -2.422 1.00 1.16 C ATOM 1986 CD2 PHE A 122 7.272 6.515 -3.868 1.00 1.25 C ATOM 1987 CE1 PHE A 122 5.657 7.066 -1.654 1.00 1.20 C ATOM 1988 CE2 PHE A 122 7.498 7.670 -3.112 1.00 1.29 C ATOM 1989 CZ PHE A 122 6.690 7.946 -2.001 1.00 1.27 C ATOM 0 H PHE A 122 4.149 2.720 -4.535 1.00 1.05 H new ATOM 0 HA PHE A 122 4.199 5.422 -5.016 1.00 1.11 H new ATOM 0 HB2 PHE A 122 5.730 3.580 -3.608 1.00 1.14 H new ATOM 0 HB3 PHE A 122 6.889 4.094 -4.817 1.00 1.14 H new ATOM 0 HD1 PHE A 122 4.636 5.236 -2.158 1.00 1.16 H new ATOM 0 HD2 PHE A 122 7.897 6.295 -4.721 1.00 1.25 H new ATOM 0 HE1 PHE A 122 5.034 7.274 -0.797 1.00 1.20 H new ATOM 0 HE2 PHE A 122 8.294 8.348 -3.384 1.00 1.29 H new ATOM 0 HZ PHE A 122 6.863 8.835 -1.413 1.00 1.27 H new ATOM 1999 N THR A 123 5.658 3.818 -7.361 1.00 1.15 N ATOM 2000 CA THR A 123 6.235 3.958 -8.718 1.00 1.20 C ATOM 2001 C THR A 123 5.181 4.532 -9.660 1.00 1.18 C ATOM 2002 O THR A 123 5.416 5.490 -10.368 1.00 1.22 O ATOM 2003 CB THR A 123 6.692 2.588 -9.228 1.00 1.21 C ATOM 2004 OG1 THR A 123 7.375 1.903 -8.188 1.00 1.22 O ATOM 2005 CG2 THR A 123 7.629 2.770 -10.423 1.00 1.27 C ATOM 0 H THR A 123 5.477 2.860 -7.061 1.00 1.15 H new ATOM 0 HA THR A 123 7.092 4.630 -8.680 1.00 1.20 H new ATOM 0 HB THR A 123 5.823 2.008 -9.538 1.00 1.21 H new ATOM 0 HG1 THR A 123 6.725 1.436 -7.622 1.00 1.22 H new ATOM 0 HG21 THR A 123 7.953 1.794 -10.784 1.00 1.27 H new ATOM 0 HG22 THR A 123 7.104 3.296 -11.220 1.00 1.27 H new ATOM 0 HG23 THR A 123 8.499 3.351 -10.118 1.00 1.27 H new ATOM 2013 N LYS A 124 4.032 3.931 -9.694 1.00 1.12 N ATOM 2014 CA LYS A 124 2.966 4.393 -10.617 1.00 1.10 C ATOM 2015 C LYS A 124 2.265 5.681 -10.157 1.00 1.10 C ATOM 2016 O LYS A 124 1.638 6.346 -10.958 1.00 1.11 O ATOM 2017 CB LYS A 124 1.936 3.287 -10.696 1.00 1.04 C ATOM 2018 CG LYS A 124 2.519 2.095 -11.447 1.00 1.04 C ATOM 2019 CD LYS A 124 1.474 0.963 -11.488 1.00 0.99 C ATOM 2020 CE LYS A 124 1.378 0.433 -12.909 1.00 0.98 C ATOM 2021 NZ LYS A 124 0.307 -0.592 -12.995 1.00 0.92 N ATOM 0 H LYS A 124 3.782 3.129 -9.115 1.00 1.12 H new ATOM 0 HA LYS A 124 3.428 4.619 -11.578 1.00 1.10 H new ATOM 0 HB2 LYS A 124 1.635 2.985 -9.693 1.00 1.04 H new ATOM 0 HB3 LYS A 124 1.041 3.646 -11.203 1.00 1.04 H new ATOM 0 HG2 LYS A 124 2.796 2.388 -12.460 1.00 1.04 H new ATOM 0 HG3 LYS A 124 3.428 1.749 -10.955 1.00 1.04 H new ATOM 0 HD2 LYS A 124 1.759 0.162 -10.805 1.00 0.99 H new ATOM 0 HD3 LYS A 124 0.504 1.334 -11.158 1.00 0.99 H new ATOM 0 HE2 LYS A 124 1.167 1.251 -13.598 1.00 0.98 H new ATOM 0 HE3 LYS A 124 2.332 0.001 -13.210 1.00 0.98 H new ATOM 0 HZ1 LYS A 124 0.586 -1.330 -13.672 1.00 0.92 H new ATOM 0 HZ2 LYS A 124 0.160 -1.020 -12.058 1.00 0.92 H new ATOM 0 HZ3 LYS A 124 -0.576 -0.145 -13.314 1.00 0.92 H new ATOM 2035 N TYR A 125 2.320 6.031 -8.897 1.00 1.10 N ATOM 2036 CA TYR A 125 1.599 7.265 -8.431 1.00 1.11 C ATOM 2037 C TYR A 125 2.598 8.388 -8.158 1.00 1.17 C ATOM 2038 O TYR A 125 2.237 9.544 -8.057 1.00 1.20 O ATOM 2039 CB TYR A 125 0.814 6.927 -7.160 1.00 1.06 C ATOM 2040 CG TYR A 125 -0.463 6.186 -7.531 1.00 1.00 C ATOM 2041 CD1 TYR A 125 -0.399 4.929 -8.159 1.00 0.97 C ATOM 2042 CD2 TYR A 125 -1.712 6.755 -7.247 1.00 0.99 C ATOM 2043 CE1 TYR A 125 -1.578 4.253 -8.495 1.00 0.92 C ATOM 2044 CE2 TYR A 125 -2.886 6.075 -7.583 1.00 0.94 C ATOM 2045 CZ TYR A 125 -2.821 4.825 -8.205 1.00 0.90 C ATOM 2046 OH TYR A 125 -3.982 4.157 -8.537 1.00 0.86 O ATOM 0 H TYR A 125 2.827 5.523 -8.172 1.00 1.10 H new ATOM 0 HA TYR A 125 0.911 7.605 -9.205 1.00 1.11 H new ATOM 0 HB2 TYR A 125 1.423 6.313 -6.497 1.00 1.06 H new ATOM 0 HB3 TYR A 125 0.572 7.840 -6.616 1.00 1.06 H new ATOM 0 HD1 TYR A 125 0.560 4.485 -8.382 1.00 0.97 H new ATOM 0 HD2 TYR A 125 -1.767 7.721 -6.767 1.00 0.99 H new ATOM 0 HE1 TYR A 125 -1.528 3.289 -8.979 1.00 0.92 H new ATOM 0 HE2 TYR A 125 -3.846 6.517 -7.361 1.00 0.94 H new ATOM 0 HH TYR A 125 -4.505 3.986 -7.726 1.00 0.86 H new ATOM 2056 N ARG A 126 3.847 8.059 -8.045 1.00 1.20 N ATOM 2057 CA ARG A 126 4.884 9.086 -7.789 1.00 1.27 C ATOM 2058 C ARG A 126 4.659 10.295 -8.711 1.00 1.31 C ATOM 2059 O ARG A 126 4.910 11.425 -8.342 1.00 1.35 O ATOM 2060 CB ARG A 126 6.258 8.416 -8.029 1.00 1.31 C ATOM 2061 CG ARG A 126 7.240 9.375 -8.709 1.00 1.38 C ATOM 2062 CD ARG A 126 8.655 8.750 -8.792 1.00 1.42 C ATOM 2063 NE ARG A 126 9.688 9.757 -8.383 1.00 1.49 N ATOM 2064 CZ ARG A 126 9.664 10.982 -8.845 1.00 1.52 C ATOM 2065 NH1 ARG A 126 8.790 11.333 -9.747 1.00 1.50 N ATOM 2066 NH2 ARG A 126 10.539 11.852 -8.419 1.00 1.59 N ATOM 0 H ARG A 126 4.200 7.105 -8.120 1.00 1.20 H new ATOM 0 HA ARG A 126 4.838 9.460 -6.766 1.00 1.27 H new ATOM 0 HB2 ARG A 126 6.673 8.083 -7.077 1.00 1.31 H new ATOM 0 HB3 ARG A 126 6.128 7.528 -8.648 1.00 1.31 H new ATOM 0 HG2 ARG A 126 6.885 9.615 -9.711 1.00 1.38 H new ATOM 0 HG3 ARG A 126 7.284 10.312 -8.153 1.00 1.38 H new ATOM 0 HD2 ARG A 126 8.713 7.875 -8.145 1.00 1.42 H new ATOM 0 HD3 ARG A 126 8.851 8.409 -9.808 1.00 1.42 H new ATOM 0 HE ARG A 126 10.424 9.482 -7.732 1.00 1.49 H new ATOM 0 HH11 ARG A 126 8.118 10.651 -10.098 1.00 1.50 H new ATOM 0 HH12 ARG A 126 8.779 12.289 -10.101 1.00 1.50 H new ATOM 0 HH21 ARG A 126 11.238 11.577 -7.729 1.00 1.59 H new ATOM 0 HH22 ARG A 126 10.524 12.807 -8.776 1.00 1.59 H new ATOM 2080 N ASN A 127 4.204 10.053 -9.907 1.00 1.30 N ATOM 2081 CA ASN A 127 3.969 11.158 -10.884 1.00 1.33 C ATOM 2082 C ASN A 127 2.467 11.348 -11.067 1.00 1.29 C ATOM 2083 O ASN A 127 1.991 12.413 -11.408 1.00 1.31 O ATOM 2084 CB ASN A 127 4.623 10.751 -12.222 1.00 1.35 C ATOM 2085 CG ASN A 127 5.933 11.520 -12.442 1.00 1.43 C ATOM 2086 OD1 ASN A 127 6.807 11.587 -11.475 1.00 1.46 O flip ATOM 2087 ND2 ASN A 127 6.161 12.062 -13.505 1.00 1.46 N flip ATOM 0 H ASN A 127 3.980 9.121 -10.257 1.00 1.30 H new ATOM 0 HA ASN A 127 4.400 12.095 -10.530 1.00 1.33 H new ATOM 0 HB2 ASN A 127 4.820 9.679 -12.225 1.00 1.35 H new ATOM 0 HB3 ASN A 127 3.936 10.951 -13.044 1.00 1.35 H new ATOM 0 HD21 ASN A 127 5.478 12.010 -14.261 1.00 1.46 H new ATOM 0 HD22 ASN A 127 7.035 12.569 -13.642 1.00 1.46 H new ATOM 2094 N VAL A 128 1.732 10.308 -10.845 1.00 1.23 N ATOM 2095 CA VAL A 128 0.249 10.360 -10.998 1.00 1.18 C ATOM 2096 C VAL A 128 -0.398 10.413 -9.620 1.00 1.15 C ATOM 2097 O VAL A 128 -0.031 9.704 -8.705 1.00 1.11 O ATOM 2098 CB VAL A 128 -0.213 9.113 -11.759 1.00 1.14 C ATOM 2099 CG1 VAL A 128 -1.737 8.977 -11.676 1.00 1.09 C ATOM 2100 CG2 VAL A 128 0.202 9.235 -13.227 1.00 1.17 C ATOM 0 H VAL A 128 2.097 9.400 -10.557 1.00 1.23 H new ATOM 0 HA VAL A 128 -0.044 11.249 -11.556 1.00 1.18 H new ATOM 0 HB VAL A 128 0.249 8.232 -11.312 1.00 1.14 H new ATOM 0 HG11 VAL A 128 -2.053 8.087 -12.221 1.00 1.09 H new ATOM 0 HG12 VAL A 128 -2.038 8.890 -10.632 1.00 1.09 H new ATOM 0 HG13 VAL A 128 -2.205 9.857 -12.116 1.00 1.09 H new ATOM 0 HG21 VAL A 128 -0.125 8.350 -13.772 1.00 1.17 H new ATOM 0 HG22 VAL A 128 -0.260 10.121 -13.663 1.00 1.17 H new ATOM 0 HG23 VAL A 128 1.287 9.322 -13.293 1.00 1.17 H new ATOM 2110 N GLU A 129 -1.347 11.278 -9.478 1.00 1.19 N ATOM 2111 CA GLU A 129 -2.041 11.451 -8.185 1.00 1.17 C ATOM 2112 C GLU A 129 -2.918 10.228 -7.891 1.00 1.11 C ATOM 2113 O GLU A 129 -2.981 9.832 -6.738 1.00 1.08 O ATOM 2114 CB GLU A 129 -2.893 12.729 -8.267 1.00 1.21 C ATOM 2115 CG GLU A 129 -2.263 13.696 -9.286 1.00 1.28 C ATOM 2116 CD GLU A 129 -2.693 15.135 -8.983 1.00 1.30 C ATOM 2117 OE1 GLU A 129 -3.758 15.521 -9.436 1.00 1.30 O ATOM 2118 OE2 GLU A 129 -1.950 15.824 -8.304 1.00 1.32 O ATOM 2119 OXT GLU A 129 -3.511 9.710 -8.823 1.00 1.08 O ATOM 0 H GLU A 129 -1.680 11.889 -10.223 1.00 1.19 H new ATOM 0 HA GLU A 129 -1.319 11.543 -7.374 1.00 1.17 H new ATOM 0 HB2 GLU A 129 -3.912 12.482 -8.565 1.00 1.21 H new ATOM 0 HB3 GLU A 129 -2.953 13.203 -7.287 1.00 1.21 H new ATOM 0 HG2 GLU A 129 -1.176 13.618 -9.249 1.00 1.28 H new ATOM 0 HG3 GLU A 129 -2.569 13.422 -10.296 1.00 1.28 H new TER 2126 GLU A 129 ATOM 2127 N ASP B 1 20.216 2.532 -4.684 1.00 8.77 N ATOM 2128 CA ASP B 1 21.078 2.119 -3.541 1.00 7.64 C ATOM 2129 C ASP B 1 20.408 2.517 -2.224 1.00 6.39 C ATOM 2130 O ASP B 1 19.529 3.355 -2.192 1.00 5.37 O ATOM 2131 CB ASP B 1 22.438 2.811 -3.651 1.00 8.05 C ATOM 2132 CG ASP B 1 23.179 2.289 -4.883 1.00 9.22 C ATOM 2133 OD1 ASP B 1 23.880 1.299 -4.753 1.00 10.03 O ATOM 2134 OD2 ASP B 1 23.032 2.887 -5.936 1.00 9.45 O ATOM 0 H1 ASP B 1 20.144 1.749 -5.365 1.00 8.77 H new ATOM 0 H2 ASP B 1 19.267 2.775 -4.333 1.00 8.77 H new ATOM 0 H3 ASP B 1 20.634 3.361 -5.153 1.00 8.77 H new ATOM 0 HA ASP B 1 21.217 1.038 -3.565 1.00 7.64 H new ATOM 0 HB2 ASP B 1 22.304 3.890 -3.725 1.00 8.05 H new ATOM 0 HB3 ASP B 1 23.027 2.624 -2.753 1.00 8.05 H new ATOM 2141 N LEU B 2 20.817 1.922 -1.137 1.00 6.54 N ATOM 2142 CA LEU B 2 20.205 2.266 0.178 1.00 5.60 C ATOM 2143 C LEU B 2 20.243 3.780 0.375 1.00 4.68 C ATOM 2144 O LEU B 2 19.247 4.407 0.683 1.00 3.60 O ATOM 2145 CB LEU B 2 20.991 1.588 1.306 1.00 6.47 C ATOM 2146 CG LEU B 2 21.156 0.093 1.009 1.00 7.32 C ATOM 2147 CD1 LEU B 2 22.025 -0.545 2.094 1.00 8.33 C ATOM 2148 CD2 LEU B 2 19.780 -0.588 0.988 1.00 6.54 C ATOM 0 H LEU B 2 21.549 1.212 -1.103 1.00 6.54 H new ATOM 0 HA LEU B 2 19.172 1.919 0.197 1.00 5.60 H new ATOM 0 HB2 LEU B 2 21.970 2.056 1.410 1.00 6.47 H new ATOM 0 HB3 LEU B 2 20.471 1.723 2.254 1.00 6.47 H new ATOM 0 HG LEU B 2 21.632 -0.032 0.037 1.00 7.32 H new ATOM 0 HD11 LEU B 2 22.144 -1.608 1.886 1.00 8.33 H new ATOM 0 HD12 LEU B 2 23.004 -0.065 2.105 1.00 8.33 H new ATOM 0 HD13 LEU B 2 21.547 -0.417 3.065 1.00 8.33 H new ATOM 0 HD21 LEU B 2 19.903 -1.650 0.777 1.00 6.54 H new ATOM 0 HD22 LEU B 2 19.298 -0.464 1.958 1.00 6.54 H new ATOM 0 HD23 LEU B 2 19.161 -0.133 0.215 1.00 6.54 H new ATOM 2160 N ASP B 3 21.388 4.368 0.200 1.00 5.20 N ATOM 2161 CA ASP B 3 21.508 5.842 0.374 1.00 4.64 C ATOM 2162 C ASP B 3 20.565 6.550 -0.600 1.00 3.51 C ATOM 2163 O ASP B 3 19.926 7.523 -0.259 1.00 2.74 O ATOM 2164 CB ASP B 3 22.949 6.274 0.091 1.00 5.61 C ATOM 2165 CG ASP B 3 23.151 7.718 0.553 1.00 6.82 C ATOM 2166 OD1 ASP B 3 22.285 8.533 0.281 1.00 7.61 O ATOM 2167 OD2 ASP B 3 24.169 7.985 1.170 1.00 6.92 O ATOM 0 H ASP B 3 22.252 3.891 -0.057 1.00 5.20 H new ATOM 0 HA ASP B 3 21.242 6.109 1.397 1.00 4.64 H new ATOM 0 HB2 ASP B 3 23.646 5.615 0.609 1.00 5.61 H new ATOM 0 HB3 ASP B 3 23.162 6.189 -0.975 1.00 5.61 H new ATOM 2172 N ALA B 4 20.474 6.072 -1.810 1.00 3.85 N ATOM 2173 CA ALA B 4 19.574 6.723 -2.805 1.00 3.42 C ATOM 2174 C ALA B 4 18.154 6.820 -2.239 1.00 2.89 C ATOM 2175 O ALA B 4 17.525 7.858 -2.292 1.00 2.66 O ATOM 2176 CB ALA B 4 19.554 5.894 -4.091 1.00 4.60 C ATOM 0 H ALA B 4 20.984 5.258 -2.154 1.00 3.85 H new ATOM 0 HA ALA B 4 19.943 7.726 -3.020 1.00 3.42 H new ATOM 0 HB1 ALA B 4 18.897 6.368 -4.820 1.00 4.60 H new ATOM 0 HB2 ALA B 4 20.563 5.831 -4.499 1.00 4.60 H new ATOM 0 HB3 ALA B 4 19.188 4.891 -3.872 1.00 4.60 H new ATOM 2182 N LEU B 5 17.641 5.746 -1.704 1.00 3.21 N ATOM 2183 CA LEU B 5 16.266 5.770 -1.144 1.00 2.91 C ATOM 2184 C LEU B 5 16.159 6.846 -0.060 1.00 1.92 C ATOM 2185 O LEU B 5 15.339 7.739 -0.138 1.00 2.42 O ATOM 2186 CB LEU B 5 15.959 4.403 -0.532 1.00 3.33 C ATOM 2187 CG LEU B 5 16.193 3.296 -1.567 1.00 4.74 C ATOM 2188 CD1 LEU B 5 16.089 1.932 -0.879 1.00 5.26 C ATOM 2189 CD2 LEU B 5 15.141 3.387 -2.683 1.00 5.44 C ATOM 0 H LEU B 5 18.121 4.849 -1.632 1.00 3.21 H new ATOM 0 HA LEU B 5 15.554 5.995 -1.938 1.00 2.91 H new ATOM 0 HB2 LEU B 5 16.592 4.236 0.340 1.00 3.33 H new ATOM 0 HB3 LEU B 5 14.926 4.375 -0.186 1.00 3.33 H new ATOM 0 HG LEU B 5 17.185 3.416 -2.003 1.00 4.74 H new ATOM 0 HD11 LEU B 5 16.255 1.142 -1.611 1.00 5.26 H new ATOM 0 HD12 LEU B 5 16.841 1.862 -0.093 1.00 5.26 H new ATOM 0 HD13 LEU B 5 15.097 1.820 -0.442 1.00 5.26 H new ATOM 0 HD21 LEU B 5 15.316 2.597 -3.413 1.00 5.44 H new ATOM 0 HD22 LEU B 5 14.145 3.272 -2.255 1.00 5.44 H new ATOM 0 HD23 LEU B 5 15.215 4.357 -3.174 1.00 5.44 H new ATOM 2201 N LEU B 6 16.975 6.765 0.955 1.00 1.59 N ATOM 2202 CA LEU B 6 16.910 7.778 2.046 1.00 2.01 C ATOM 2203 C LEU B 6 16.915 9.186 1.442 1.00 2.52 C ATOM 2204 O LEU B 6 16.119 10.032 1.803 1.00 3.51 O ATOM 2205 CB LEU B 6 18.121 7.596 2.970 1.00 2.97 C ATOM 2206 CG LEU B 6 18.082 8.615 4.119 1.00 3.38 C ATOM 2207 CD1 LEU B 6 16.826 8.397 4.979 1.00 4.76 C ATOM 2208 CD2 LEU B 6 19.336 8.436 4.983 1.00 3.25 C ATOM 0 H LEU B 6 17.684 6.041 1.076 1.00 1.59 H new ATOM 0 HA LEU B 6 15.993 7.646 2.621 1.00 2.01 H new ATOM 0 HB2 LEU B 6 18.128 6.584 3.374 1.00 2.97 H new ATOM 0 HB3 LEU B 6 19.042 7.718 2.400 1.00 2.97 H new ATOM 0 HG LEU B 6 18.053 9.624 3.709 1.00 3.38 H new ATOM 0 HD11 LEU B 6 16.810 9.125 5.790 1.00 4.76 H new ATOM 0 HD12 LEU B 6 15.936 8.521 4.362 1.00 4.76 H new ATOM 0 HD13 LEU B 6 16.841 7.390 5.396 1.00 4.76 H new ATOM 0 HD21 LEU B 6 19.319 9.155 5.802 1.00 3.25 H new ATOM 0 HD22 LEU B 6 19.357 7.424 5.388 1.00 3.25 H new ATOM 0 HD23 LEU B 6 20.224 8.602 4.374 1.00 3.25 H new ATOM 2220 N ALA B 7 17.807 9.444 0.525 1.00 2.20 N ATOM 2221 CA ALA B 7 17.866 10.792 -0.103 1.00 2.86 C ATOM 2222 C ALA B 7 16.482 11.169 -0.634 1.00 3.63 C ATOM 2223 O ALA B 7 16.013 12.274 -0.445 1.00 4.63 O ATOM 2224 CB ALA B 7 18.864 10.770 -1.263 1.00 2.54 C ATOM 0 H ALA B 7 18.499 8.777 0.184 1.00 2.20 H new ATOM 0 HA ALA B 7 18.184 11.524 0.639 1.00 2.86 H new ATOM 0 HB1 ALA B 7 18.908 11.757 -1.724 1.00 2.54 H new ATOM 0 HB2 ALA B 7 19.851 10.500 -0.888 1.00 2.54 H new ATOM 0 HB3 ALA B 7 18.544 10.037 -2.004 1.00 2.54 H new ATOM 2230 N ASP B 8 15.825 10.259 -1.299 1.00 3.56 N ATOM 2231 CA ASP B 8 14.473 10.562 -1.845 1.00 4.78 C ATOM 2232 C ASP B 8 13.556 11.029 -0.714 1.00 5.44 C ATOM 2233 O ASP B 8 12.773 11.944 -0.875 1.00 6.57 O ATOM 2234 CB ASP B 8 13.889 9.303 -2.489 1.00 5.06 C ATOM 2235 CG ASP B 8 12.570 9.649 -3.184 1.00 5.28 C ATOM 2236 OD1 ASP B 8 12.623 10.146 -4.297 1.00 5.79 O ATOM 2237 OD2 ASP B 8 11.531 9.411 -2.591 1.00 5.19 O ATOM 0 H ASP B 8 16.167 9.317 -1.488 1.00 3.56 H new ATOM 0 HA ASP B 8 14.553 11.350 -2.594 1.00 4.78 H new ATOM 0 HB2 ASP B 8 14.595 8.890 -3.210 1.00 5.06 H new ATOM 0 HB3 ASP B 8 13.723 8.538 -1.731 1.00 5.06 H new ATOM 2242 N LEU B 9 13.644 10.409 0.431 1.00 4.79 N ATOM 2243 CA LEU B 9 12.772 10.820 1.568 1.00 5.50 C ATOM 2244 C LEU B 9 13.132 12.243 2.003 1.00 6.37 C ATOM 2245 O LEU B 9 12.399 13.181 1.757 1.00 7.54 O ATOM 2246 CB LEU B 9 12.973 9.859 2.743 1.00 4.72 C ATOM 2247 CG LEU B 9 13.002 8.416 2.232 1.00 3.99 C ATOM 2248 CD1 LEU B 9 13.021 7.455 3.421 1.00 3.18 C ATOM 2249 CD2 LEU B 9 11.758 8.146 1.378 1.00 4.98 C ATOM 0 H LEU B 9 14.281 9.637 0.628 1.00 4.79 H new ATOM 0 HA LEU B 9 11.729 10.791 1.252 1.00 5.50 H new ATOM 0 HB2 LEU B 9 13.905 10.091 3.259 1.00 4.72 H new ATOM 0 HB3 LEU B 9 12.168 9.982 3.467 1.00 4.72 H new ATOM 0 HG LEU B 9 13.896 8.265 1.626 1.00 3.99 H new ATOM 0 HD11 LEU B 9 13.042 6.427 3.058 1.00 3.18 H new ATOM 0 HD12 LEU B 9 13.907 7.644 4.027 1.00 3.18 H new ATOM 0 HD13 LEU B 9 12.128 7.608 4.027 1.00 3.18 H new ATOM 0 HD21 LEU B 9 11.781 7.118 1.016 1.00 4.98 H new ATOM 0 HD22 LEU B 9 10.863 8.298 1.981 1.00 4.98 H new ATOM 0 HD23 LEU B 9 11.744 8.830 0.529 1.00 4.98 H new ATOM 2261 N GLU B 10 14.253 12.413 2.652 1.00 5.97 N ATOM 2262 CA GLU B 10 14.659 13.768 3.107 1.00 6.96 C ATOM 2263 C GLU B 10 14.488 14.776 1.963 1.00 7.65 C ATOM 2264 O GLU B 10 15.227 14.677 0.997 1.00 8.69 O ATOM 2265 CB GLU B 10 16.118 13.739 3.592 1.00 6.57 C ATOM 2266 CG GLU B 10 16.814 12.557 2.955 1.00 6.56 C ATOM 2267 CD GLU B 10 18.334 12.719 3.049 1.00 6.60 C ATOM 2268 OE1 GLU B 10 18.836 13.714 2.554 1.00 7.16 O ATOM 2269 OE2 GLU B 10 18.968 11.845 3.616 1.00 6.36 O ATOM 2270 OXT GLU B 10 13.624 15.629 2.076 1.00 7.20 O ATOM 0 H GLU B 10 14.906 11.665 2.886 1.00 5.97 H new ATOM 0 HA GLU B 10 14.023 14.077 3.937 1.00 6.96 H new ATOM 0 HB2 GLU B 10 16.625 14.666 3.324 1.00 6.57 H new ATOM 0 HB3 GLU B 10 16.154 13.659 4.678 1.00 6.57 H new ATOM 0 HG2 GLU B 10 16.509 11.636 3.452 1.00 6.56 H new ATOM 0 HG3 GLU B 10 16.515 12.470 1.910 1.00 6.56 H new TER 2277 GLU B 10