USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 712 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 78 ASN : amide:sc= -0.985 K(o=0.012,f=1.2) USER MOD Set 1.2: A 85 SER OG : rot -96:sc= 0.996 USER MOD Set 2.1: A 42 ASN : amide:sc= 0.903 K(o=2.1,f=-3.4!) USER MOD Set 2.2: A 50 LYS NZ :NH3+ -152:sc= 1.16 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 166:sc= -0.0536 (180deg=-0.314) USER MOD Single : A 3 LYS NZ :NH3+ -165:sc= -0.0149 (180deg=-0.199) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.5) USER MOD Single : A 25 GLN : amide:sc= -2.51! K(o=-2.5!,f=-1) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= 1.32! (180deg=0.637!) USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= -0.203 (180deg=-1.1) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 80:sc= 1.07 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.21 K(o=-2.2,f=-3.2!) USER MOD Single : A 55 MET CE :methyl -153:sc= -0.272 (180deg=-0.962) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.569 X(o=-0.57,f=-0.72) USER MOD Single : A 61 ASN : amide:sc= -0.0139 K(o=-0.014,f=-12!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -2.2 K(o=-2.2,f=-3.7!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.0913 USER MOD Single : A 88 ASN : amide:sc= -0.678 K(o=-0.68,f=-0.072) USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 2.25 (180deg=2.13) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -35.912 -0.352 -31.616 1.00 18.66 N ATOM 2 CA GLY A 1 -35.413 -1.651 -31.202 1.00 18.87 C ATOM 3 C GLY A 1 -34.218 -1.527 -30.286 1.00 18.23 C ATOM 4 O GLY A 1 -33.331 -2.380 -30.283 1.00 18.31 O ATOM 0 H1 GLY A 1 -36.566 -0.470 -32.416 1.00 18.66 H new ATOM 0 H2 GLY A 1 -36.413 0.097 -30.822 1.00 18.66 H new ATOM 0 H3 GLY A 1 -35.115 0.249 -31.907 1.00 18.66 H new ATOM 0 HA2 GLY A 1 -36.206 -2.200 -30.693 1.00 18.87 H new ATOM 0 HA3 GLY A 1 -35.138 -2.232 -32.082 1.00 18.87 H new ATOM 8 N ALA A 2 -34.180 -0.440 -29.533 1.00 17.70 N ATOM 9 CA ALA A 2 -33.101 -0.194 -28.592 1.00 17.18 C ATOM 10 C ALA A 2 -33.648 -0.021 -27.184 1.00 16.38 C ATOM 11 O ALA A 2 -34.381 0.927 -26.906 1.00 16.21 O ATOM 12 CB ALA A 2 -32.311 1.034 -29.012 1.00 17.38 C ATOM 0 H ALA A 2 -34.891 0.291 -29.556 1.00 17.70 H new ATOM 0 HA ALA A 2 -32.434 -1.056 -28.594 1.00 17.18 H new ATOM 0 HB1 ALA A 2 -31.505 1.209 -28.300 1.00 17.38 H new ATOM 0 HB2 ALA A 2 -31.890 0.874 -30.005 1.00 17.38 H new ATOM 0 HB3 ALA A 2 -32.971 1.901 -29.034 1.00 17.38 H new ATOM 18 N LYS A 3 -33.303 -0.952 -26.310 1.00 16.02 N ATOM 19 CA LYS A 3 -33.743 -0.913 -24.926 1.00 15.35 C ATOM 20 C LYS A 3 -32.553 -0.998 -23.991 1.00 14.78 C ATOM 21 O LYS A 3 -31.574 -1.689 -24.277 1.00 14.87 O ATOM 22 CB LYS A 3 -34.721 -2.053 -24.646 1.00 15.66 C ATOM 23 CG LYS A 3 -36.101 -1.828 -25.236 1.00 16.14 C ATOM 24 CD LYS A 3 -36.948 -3.085 -25.152 1.00 16.34 C ATOM 25 CE LYS A 3 -38.402 -2.804 -25.486 1.00 16.93 C ATOM 26 NZ LYS A 3 -39.067 -2.005 -24.420 1.00 17.44 N ATOM 0 H LYS A 3 -32.713 -1.752 -26.539 1.00 16.02 H new ATOM 0 HA LYS A 3 -34.254 0.034 -24.752 1.00 15.35 H new ATOM 0 HB2 LYS A 3 -34.310 -2.980 -25.047 1.00 15.66 H new ATOM 0 HB3 LYS A 3 -34.813 -2.185 -23.568 1.00 15.66 H new ATOM 0 HG2 LYS A 3 -36.598 -1.016 -24.705 1.00 16.14 H new ATOM 0 HG3 LYS A 3 -36.008 -1.518 -26.277 1.00 16.14 H new ATOM 0 HD2 LYS A 3 -36.555 -3.835 -25.838 1.00 16.34 H new ATOM 0 HD3 LYS A 3 -36.879 -3.504 -24.148 1.00 16.34 H new ATOM 0 HE2 LYS A 3 -38.461 -2.268 -26.433 1.00 16.93 H new ATOM 0 HE3 LYS A 3 -38.933 -3.746 -25.620 1.00 16.93 H new ATOM 0 HZ1 LYS A 3 -40.098 -2.046 -24.547 1.00 17.44 H new ATOM 0 HZ2 LYS A 3 -38.817 -2.394 -23.488 1.00 17.44 H new ATOM 0 HZ3 LYS A 3 -38.750 -1.016 -24.479 1.00 17.44 H new ATOM 40 N GLY A 4 -32.636 -0.281 -22.889 1.00 14.34 N ATOM 41 CA GLY A 4 -31.570 -0.292 -21.920 1.00 13.91 C ATOM 42 C GLY A 4 -31.098 1.102 -21.581 1.00 13.19 C ATOM 43 O GLY A 4 -31.423 2.064 -22.280 1.00 13.08 O ATOM 0 H GLY A 4 -33.429 0.313 -22.647 1.00 14.34 H new ATOM 0 HA2 GLY A 4 -31.911 -0.790 -21.012 1.00 13.91 H new ATOM 0 HA3 GLY A 4 -30.734 -0.873 -22.308 1.00 13.91 H new ATOM 47 N ASP A 5 -30.340 1.218 -20.507 1.00 12.83 N ATOM 48 CA ASP A 5 -29.813 2.506 -20.077 1.00 12.29 C ATOM 49 C ASP A 5 -28.480 2.313 -19.374 1.00 11.32 C ATOM 50 O ASP A 5 -28.328 1.402 -18.559 1.00 11.07 O ATOM 51 CB ASP A 5 -30.808 3.207 -19.147 1.00 12.76 C ATOM 52 CG ASP A 5 -30.358 4.599 -18.748 1.00 13.25 C ATOM 53 OD1 ASP A 5 -30.437 4.935 -17.545 1.00 13.69 O ATOM 54 OD2 ASP A 5 -29.887 5.347 -19.626 1.00 13.33 O ATOM 0 H ASP A 5 -30.073 0.434 -19.912 1.00 12.83 H new ATOM 0 HA ASP A 5 -29.661 3.134 -20.955 1.00 12.29 H new ATOM 0 HB2 ASP A 5 -31.777 3.271 -19.641 1.00 12.76 H new ATOM 0 HB3 ASP A 5 -30.947 2.604 -18.250 1.00 12.76 H new ATOM 59 N LEU A 6 -27.512 3.152 -19.710 1.00 10.94 N ATOM 60 CA LEU A 6 -26.182 3.056 -19.129 1.00 10.15 C ATOM 61 C LEU A 6 -26.029 4.069 -18.006 1.00 9.46 C ATOM 62 O LEU A 6 -26.577 5.169 -18.073 1.00 9.68 O ATOM 63 CB LEU A 6 -25.091 3.282 -20.191 1.00 10.29 C ATOM 64 CG LEU A 6 -24.990 2.224 -21.306 1.00 10.86 C ATOM 65 CD1 LEU A 6 -24.978 0.818 -20.726 1.00 11.39 C ATOM 66 CD2 LEU A 6 -26.113 2.384 -22.326 1.00 10.88 C ATOM 0 H LEU A 6 -27.623 3.909 -20.384 1.00 10.94 H new ATOM 0 HA LEU A 6 -26.062 2.050 -18.728 1.00 10.15 H new ATOM 0 HB2 LEU A 6 -25.263 4.253 -20.656 1.00 10.29 H new ATOM 0 HB3 LEU A 6 -24.127 3.337 -19.684 1.00 10.29 H new ATOM 0 HG LEU A 6 -24.045 2.382 -21.826 1.00 10.86 H new ATOM 0 HD11 LEU A 6 -24.906 0.091 -21.535 1.00 11.39 H new ATOM 0 HD12 LEU A 6 -24.122 0.706 -20.061 1.00 11.39 H new ATOM 0 HD13 LEU A 6 -25.897 0.648 -20.166 1.00 11.39 H new ATOM 0 HD21 LEU A 6 -26.013 1.623 -23.099 1.00 10.88 H new ATOM 0 HD22 LEU A 6 -27.076 2.271 -21.828 1.00 10.88 H new ATOM 0 HD23 LEU A 6 -26.053 3.373 -22.781 1.00 10.88 H new ATOM 78 N VAL A 7 -25.286 3.691 -16.976 1.00 8.82 N ATOM 79 CA VAL A 7 -25.063 4.569 -15.837 1.00 8.29 C ATOM 80 C VAL A 7 -24.209 5.763 -16.243 1.00 7.44 C ATOM 81 O VAL A 7 -24.454 6.892 -15.814 1.00 7.11 O ATOM 82 CB VAL A 7 -24.367 3.829 -14.677 1.00 8.29 C ATOM 83 CG1 VAL A 7 -24.326 4.701 -13.434 1.00 8.14 C ATOM 84 CG2 VAL A 7 -25.063 2.515 -14.373 1.00 8.52 C ATOM 0 H VAL A 7 -24.828 2.783 -16.906 1.00 8.82 H new ATOM 0 HA VAL A 7 -26.041 4.910 -15.499 1.00 8.29 H new ATOM 0 HB VAL A 7 -23.345 3.611 -14.985 1.00 8.29 H new ATOM 0 HG11 VAL A 7 -23.831 4.161 -12.627 1.00 8.14 H new ATOM 0 HG12 VAL A 7 -23.775 5.616 -13.650 1.00 8.14 H new ATOM 0 HG13 VAL A 7 -25.343 4.952 -13.132 1.00 8.14 H new ATOM 0 HG21 VAL A 7 -24.552 2.014 -13.551 1.00 8.52 H new ATOM 0 HG22 VAL A 7 -26.098 2.708 -14.092 1.00 8.52 H new ATOM 0 HG23 VAL A 7 -25.040 1.878 -15.257 1.00 8.52 H new ATOM 94 N SER A 8 -23.201 5.489 -17.070 1.00 7.35 N ATOM 95 CA SER A 8 -22.276 6.512 -17.555 1.00 6.76 C ATOM 96 C SER A 8 -21.553 7.195 -16.397 1.00 6.25 C ATOM 97 O SER A 8 -21.103 8.336 -16.514 1.00 6.60 O ATOM 98 CB SER A 8 -23.024 7.545 -18.401 1.00 7.45 C ATOM 99 OG SER A 8 -23.624 6.927 -19.528 1.00 7.95 O ATOM 0 H SER A 8 -23.003 4.553 -17.422 1.00 7.35 H new ATOM 0 HA SER A 8 -21.526 6.023 -18.177 1.00 6.76 H new ATOM 0 HB2 SER A 8 -23.789 8.033 -17.797 1.00 7.45 H new ATOM 0 HB3 SER A 8 -22.334 8.322 -18.730 1.00 7.45 H new ATOM 0 HG SER A 8 -24.099 7.602 -20.057 1.00 7.95 H new ATOM 105 N PHE A 9 -21.411 6.473 -15.290 1.00 5.71 N ATOM 106 CA PHE A 9 -20.769 7.006 -14.101 1.00 5.49 C ATOM 107 C PHE A 9 -19.262 7.023 -14.296 1.00 4.56 C ATOM 108 O PHE A 9 -18.563 7.923 -13.833 1.00 4.58 O ATOM 109 CB PHE A 9 -21.141 6.149 -12.887 1.00 5.95 C ATOM 110 CG PHE A 9 -20.622 6.669 -11.576 1.00 6.09 C ATOM 111 CD1 PHE A 9 -19.520 6.090 -10.971 1.00 6.22 C ATOM 112 CD2 PHE A 9 -21.245 7.730 -10.947 1.00 6.41 C ATOM 113 CE1 PHE A 9 -19.051 6.562 -9.761 1.00 6.69 C ATOM 114 CE2 PHE A 9 -20.781 8.206 -9.739 1.00 6.91 C ATOM 115 CZ PHE A 9 -19.681 7.621 -9.144 1.00 7.07 C ATOM 0 H PHE A 9 -21.736 5.511 -15.195 1.00 5.71 H new ATOM 0 HA PHE A 9 -21.111 8.026 -13.929 1.00 5.49 H new ATOM 0 HB2 PHE A 9 -22.227 6.074 -12.830 1.00 5.95 H new ATOM 0 HB3 PHE A 9 -20.760 5.139 -13.040 1.00 5.95 H new ATOM 0 HD1 PHE A 9 -19.022 5.260 -11.450 1.00 6.22 H new ATOM 0 HD2 PHE A 9 -22.106 8.192 -11.407 1.00 6.41 H new ATOM 0 HE1 PHE A 9 -18.191 6.101 -9.298 1.00 6.69 H new ATOM 0 HE2 PHE A 9 -21.278 9.036 -9.259 1.00 6.91 H new ATOM 0 HZ PHE A 9 -19.315 7.992 -8.198 1.00 7.07 H new ATOM 125 N ARG A 10 -18.776 6.019 -15.002 1.00 4.03 N ATOM 126 CA ARG A 10 -17.362 5.882 -15.273 1.00 3.33 C ATOM 127 C ARG A 10 -17.165 5.168 -16.600 1.00 2.88 C ATOM 128 O ARG A 10 -17.834 4.173 -16.878 1.00 3.18 O ATOM 129 CB ARG A 10 -16.671 5.125 -14.129 1.00 3.50 C ATOM 130 CG ARG A 10 -17.282 3.759 -13.807 1.00 3.95 C ATOM 131 CD ARG A 10 -16.615 2.633 -14.589 1.00 4.08 C ATOM 132 NE ARG A 10 -16.988 1.314 -14.075 1.00 4.93 N ATOM 133 CZ ARG A 10 -16.440 0.161 -14.484 1.00 5.72 C ATOM 134 NH1 ARG A 10 -15.504 0.156 -15.426 1.00 5.83 N ATOM 135 NH2 ARG A 10 -16.831 -0.994 -13.953 1.00 6.67 N ATOM 0 H ARG A 10 -19.352 5.278 -15.402 1.00 4.03 H new ATOM 0 HA ARG A 10 -16.908 6.871 -15.340 1.00 3.33 H new ATOM 0 HB2 ARG A 10 -15.620 4.987 -14.385 1.00 3.50 H new ATOM 0 HB3 ARG A 10 -16.702 5.743 -13.231 1.00 3.50 H new ATOM 0 HG2 ARG A 10 -17.188 3.563 -12.739 1.00 3.95 H new ATOM 0 HG3 ARG A 10 -18.348 3.776 -14.035 1.00 3.95 H new ATOM 0 HD2 ARG A 10 -16.896 2.705 -15.640 1.00 4.08 H new ATOM 0 HD3 ARG A 10 -15.532 2.749 -14.539 1.00 4.08 H new ATOM 0 HE ARG A 10 -17.713 1.269 -13.358 1.00 4.93 H new ATOM 0 HH11 ARG A 10 -15.197 1.034 -15.844 1.00 5.83 H new ATOM 0 HH12 ARG A 10 -15.092 -0.726 -15.731 1.00 5.83 H new ATOM 0 HH21 ARG A 10 -17.551 -1.005 -13.231 1.00 6.67 H new ATOM 0 HH22 ARG A 10 -16.411 -1.868 -14.268 1.00 6.67 H new ATOM 149 N ILE A 11 -16.295 5.703 -17.437 1.00 2.34 N ATOM 150 CA ILE A 11 -15.972 5.058 -18.693 1.00 1.99 C ATOM 151 C ILE A 11 -14.466 4.947 -18.858 1.00 1.73 C ATOM 152 O ILE A 11 -13.775 5.950 -19.046 1.00 1.72 O ATOM 153 CB ILE A 11 -16.547 5.779 -19.933 1.00 1.97 C ATOM 154 CG1 ILE A 11 -18.081 5.850 -19.901 1.00 2.38 C ATOM 155 CG2 ILE A 11 -16.083 5.049 -21.181 1.00 2.00 C ATOM 156 CD1 ILE A 11 -18.631 6.935 -19.001 1.00 2.89 C ATOM 0 H ILE A 11 -15.802 6.580 -17.269 1.00 2.34 H new ATOM 0 HA ILE A 11 -16.437 4.074 -18.642 1.00 1.99 H new ATOM 0 HB ILE A 11 -16.181 6.806 -19.935 1.00 1.97 H new ATOM 0 HG12 ILE A 11 -18.448 6.013 -20.914 1.00 2.38 H new ATOM 0 HG13 ILE A 11 -18.472 4.887 -19.572 1.00 2.38 H new ATOM 0 HG21 ILE A 11 -16.482 5.548 -22.064 1.00 2.00 H new ATOM 0 HG22 ILE A 11 -14.994 5.055 -21.222 1.00 2.00 H new ATOM 0 HG23 ILE A 11 -16.440 4.019 -21.154 1.00 2.00 H new ATOM 0 HD11 ILE A 11 -19.720 6.918 -19.035 1.00 2.89 H new ATOM 0 HD12 ILE A 11 -18.297 6.763 -17.978 1.00 2.89 H new ATOM 0 HD13 ILE A 11 -18.272 7.906 -19.341 1.00 2.89 H new ATOM 168 N ASP A 12 -13.964 3.734 -18.780 1.00 1.73 N ATOM 169 CA ASP A 12 -12.546 3.487 -18.938 1.00 1.71 C ATOM 170 C ASP A 12 -12.249 2.814 -20.275 1.00 1.43 C ATOM 171 O ASP A 12 -11.095 2.717 -20.691 1.00 1.54 O ATOM 172 CB ASP A 12 -12.024 2.660 -17.766 1.00 2.04 C ATOM 173 CG ASP A 12 -12.940 1.513 -17.384 1.00 2.64 C ATOM 174 OD1 ASP A 12 -14.083 1.784 -16.955 1.00 3.29 O ATOM 175 OD2 ASP A 12 -12.515 0.346 -17.477 1.00 2.90 O ATOM 0 H ASP A 12 -14.521 2.897 -18.607 1.00 1.73 H new ATOM 0 HA ASP A 12 -12.024 4.444 -18.939 1.00 1.71 H new ATOM 0 HB2 ASP A 12 -11.042 2.262 -18.021 1.00 2.04 H new ATOM 0 HB3 ASP A 12 -11.890 3.311 -16.902 1.00 2.04 H new ATOM 180 N GLU A 13 -13.301 2.385 -20.960 1.00 1.24 N ATOM 181 CA GLU A 13 -13.179 1.874 -22.324 1.00 1.15 C ATOM 182 C GLU A 13 -13.256 3.039 -23.314 1.00 1.28 C ATOM 183 O GLU A 13 -13.344 2.842 -24.528 1.00 1.50 O ATOM 184 CB GLU A 13 -14.302 0.874 -22.627 1.00 1.15 C ATOM 185 CG GLU A 13 -15.695 1.473 -22.449 1.00 1.58 C ATOM 186 CD GLU A 13 -16.626 1.201 -23.618 1.00 2.18 C ATOM 187 OE1 GLU A 13 -17.703 0.606 -23.400 1.00 2.35 O ATOM 188 OE2 GLU A 13 -16.297 1.598 -24.759 1.00 2.96 O ATOM 0 H GLU A 13 -14.253 2.380 -20.594 1.00 1.24 H new ATOM 0 HA GLU A 13 -12.220 1.366 -22.422 1.00 1.15 H new ATOM 0 HB2 GLU A 13 -14.195 0.514 -23.650 1.00 1.15 H new ATOM 0 HB3 GLU A 13 -14.198 0.009 -21.972 1.00 1.15 H new ATOM 0 HG2 GLU A 13 -16.141 1.072 -21.539 1.00 1.58 H new ATOM 0 HG3 GLU A 13 -15.604 2.550 -22.311 1.00 1.58 H new ATOM 195 N SER A 14 -13.202 4.254 -22.770 1.00 1.27 N ATOM 196 CA SER A 14 -13.438 5.483 -23.529 1.00 1.50 C ATOM 197 C SER A 14 -12.550 5.585 -24.769 1.00 1.59 C ATOM 198 O SER A 14 -12.992 6.072 -25.813 1.00 1.85 O ATOM 199 CB SER A 14 -13.212 6.697 -22.616 1.00 1.61 C ATOM 200 OG SER A 14 -13.487 7.916 -23.285 1.00 2.31 O ATOM 0 H SER A 14 -12.992 4.415 -21.785 1.00 1.27 H new ATOM 0 HA SER A 14 -14.470 5.463 -23.879 1.00 1.50 H new ATOM 0 HB2 SER A 14 -13.849 6.614 -21.736 1.00 1.61 H new ATOM 0 HB3 SER A 14 -12.180 6.700 -22.264 1.00 1.61 H new ATOM 0 HG SER A 14 -13.334 8.666 -22.674 1.00 2.31 H new ATOM 206 N GLY A 15 -11.315 5.106 -24.662 1.00 1.50 N ATOM 207 CA GLY A 15 -10.383 5.208 -25.770 1.00 1.67 C ATOM 208 C GLY A 15 -10.135 6.649 -26.172 1.00 1.66 C ATOM 209 O GLY A 15 -10.259 7.007 -27.342 1.00 1.86 O ATOM 0 H GLY A 15 -10.943 4.650 -23.829 1.00 1.50 H new ATOM 0 HA2 GLY A 15 -9.438 4.741 -25.493 1.00 1.67 H new ATOM 0 HA3 GLY A 15 -10.773 4.655 -26.624 1.00 1.67 H new ATOM 213 N ARG A 16 -9.804 7.481 -25.189 1.00 1.69 N ATOM 214 CA ARG A 16 -9.550 8.894 -25.433 1.00 1.95 C ATOM 215 C ARG A 16 -8.272 9.052 -26.250 1.00 1.94 C ATOM 216 O ARG A 16 -7.407 8.183 -26.214 1.00 1.95 O ATOM 217 CB ARG A 16 -9.450 9.654 -24.100 1.00 2.42 C ATOM 218 CG ARG A 16 -10.619 9.378 -23.162 1.00 2.50 C ATOM 219 CD ARG A 16 -10.464 10.074 -21.816 1.00 2.87 C ATOM 220 NE ARG A 16 -10.912 11.467 -21.843 1.00 3.47 N ATOM 221 CZ ARG A 16 -10.918 12.263 -20.773 1.00 4.27 C ATOM 222 NH1 ARG A 16 -10.451 11.824 -19.608 1.00 4.62 N ATOM 223 NH2 ARG A 16 -11.385 13.501 -20.871 1.00 5.03 N ATOM 0 H ARG A 16 -9.706 7.198 -24.214 1.00 1.69 H new ATOM 0 HA ARG A 16 -10.379 9.318 -26.000 1.00 1.95 H new ATOM 0 HB2 ARG A 16 -8.520 9.380 -23.602 1.00 2.42 H new ATOM 0 HB3 ARG A 16 -9.400 10.724 -24.302 1.00 2.42 H new ATOM 0 HG2 ARG A 16 -11.545 9.708 -23.634 1.00 2.50 H new ATOM 0 HG3 ARG A 16 -10.708 8.303 -23.004 1.00 2.50 H new ATOM 0 HD2 ARG A 16 -11.033 9.529 -21.063 1.00 2.87 H new ATOM 0 HD3 ARG A 16 -9.418 10.039 -21.513 1.00 2.87 H new ATOM 0 HE ARG A 16 -11.238 11.851 -22.730 1.00 3.47 H new ATOM 0 HH11 ARG A 16 -10.086 10.875 -19.530 1.00 4.62 H new ATOM 0 HH12 ARG A 16 -10.458 12.437 -18.792 1.00 4.62 H new ATOM 0 HH21 ARG A 16 -11.739 13.843 -21.764 1.00 5.03 H new ATOM 0 HH22 ARG A 16 -11.390 14.110 -20.053 1.00 5.03 H new ATOM 237 N ALA A 17 -8.155 10.172 -26.964 1.00 2.02 N ATOM 238 CA ALA A 17 -7.055 10.404 -27.909 1.00 2.12 C ATOM 239 C ALA A 17 -5.668 10.223 -27.282 1.00 2.12 C ATOM 240 O ALA A 17 -4.676 10.088 -27.995 1.00 2.20 O ATOM 241 CB ALA A 17 -7.175 11.793 -28.511 1.00 2.37 C ATOM 0 H ALA A 17 -8.818 10.945 -26.906 1.00 2.02 H new ATOM 0 HA ALA A 17 -7.146 9.646 -28.687 1.00 2.12 H new ATOM 0 HB1 ALA A 17 -6.356 11.958 -29.211 1.00 2.37 H new ATOM 0 HB2 ALA A 17 -8.125 11.881 -29.037 1.00 2.37 H new ATOM 0 HB3 ALA A 17 -7.130 12.539 -27.717 1.00 2.37 H new ATOM 247 N ALA A 18 -5.599 10.225 -25.954 1.00 2.11 N ATOM 248 CA ALA A 18 -4.332 10.070 -25.252 1.00 2.25 C ATOM 249 C ALA A 18 -3.762 8.656 -25.418 1.00 2.18 C ATOM 250 O ALA A 18 -2.571 8.432 -25.203 1.00 2.38 O ATOM 251 CB ALA A 18 -4.504 10.398 -23.777 1.00 2.35 C ATOM 0 H ALA A 18 -6.408 10.333 -25.343 1.00 2.11 H new ATOM 0 HA ALA A 18 -3.621 10.768 -25.694 1.00 2.25 H new ATOM 0 HB1 ALA A 18 -3.550 10.278 -23.264 1.00 2.35 H new ATOM 0 HB2 ALA A 18 -4.846 11.427 -23.671 1.00 2.35 H new ATOM 0 HB3 ALA A 18 -5.239 9.724 -23.338 1.00 2.35 H new ATOM 257 N CYS A 19 -4.616 7.710 -25.800 1.00 1.97 N ATOM 258 CA CYS A 19 -4.183 6.338 -26.040 1.00 1.94 C ATOM 259 C CYS A 19 -5.123 5.639 -27.019 1.00 1.77 C ATOM 260 O CYS A 19 -6.344 5.699 -26.875 1.00 1.77 O ATOM 261 CB CYS A 19 -4.120 5.552 -24.726 1.00 2.16 C ATOM 262 SG CYS A 19 -3.575 3.836 -24.909 1.00 2.75 S ATOM 0 H CYS A 19 -5.612 7.869 -25.950 1.00 1.97 H new ATOM 0 HA CYS A 19 -3.185 6.373 -26.476 1.00 1.94 H new ATOM 0 HB2 CYS A 19 -3.444 6.065 -24.042 1.00 2.16 H new ATOM 0 HB3 CYS A 19 -5.107 5.560 -24.264 1.00 2.16 H new ATOM 0 HG CYS A 19 -3.554 3.261 -23.743 1.00 2.75 H new ATOM 268 N VAL A 20 -4.543 4.978 -28.011 1.00 1.71 N ATOM 269 CA VAL A 20 -5.317 4.252 -29.006 1.00 1.67 C ATOM 270 C VAL A 20 -4.417 3.293 -29.790 1.00 1.62 C ATOM 271 O VAL A 20 -3.280 3.631 -30.124 1.00 1.57 O ATOM 272 CB VAL A 20 -6.045 5.222 -29.975 1.00 1.72 C ATOM 273 CG1 VAL A 20 -5.058 6.138 -30.689 1.00 1.74 C ATOM 274 CG2 VAL A 20 -6.886 4.458 -30.985 1.00 1.88 C ATOM 0 H VAL A 20 -3.533 4.930 -28.148 1.00 1.71 H new ATOM 0 HA VAL A 20 -6.075 3.672 -28.479 1.00 1.67 H new ATOM 0 HB VAL A 20 -6.710 5.843 -29.375 1.00 1.72 H new ATOM 0 HG11 VAL A 20 -5.600 6.805 -31.360 1.00 1.74 H new ATOM 0 HG12 VAL A 20 -4.512 6.729 -29.953 1.00 1.74 H new ATOM 0 HG13 VAL A 20 -4.355 5.537 -31.265 1.00 1.74 H new ATOM 0 HG21 VAL A 20 -7.384 5.163 -31.651 1.00 1.88 H new ATOM 0 HG22 VAL A 20 -6.244 3.799 -31.569 1.00 1.88 H new ATOM 0 HG23 VAL A 20 -7.634 3.864 -30.460 1.00 1.88 H new ATOM 284 N ASN A 21 -4.920 2.094 -30.069 1.00 1.71 N ATOM 285 CA ASN A 21 -4.149 1.094 -30.804 1.00 1.70 C ATOM 286 C ASN A 21 -5.023 0.446 -31.878 1.00 1.72 C ATOM 287 O ASN A 21 -6.245 0.603 -31.860 1.00 2.62 O ATOM 288 CB ASN A 21 -3.613 0.024 -29.838 1.00 1.73 C ATOM 289 CG ASN A 21 -2.378 -0.683 -30.366 1.00 2.10 C ATOM 290 OD1 ASN A 21 -2.467 -1.665 -31.104 1.00 2.71 O ATOM 291 ND2 ASN A 21 -1.208 -0.199 -29.973 1.00 2.48 N ATOM 0 H ASN A 21 -5.856 1.791 -29.798 1.00 1.71 H new ATOM 0 HA ASN A 21 -3.303 1.584 -31.287 1.00 1.70 H new ATOM 0 HB2 ASN A 21 -3.377 0.491 -28.882 1.00 1.73 H new ATOM 0 HB3 ASN A 21 -4.394 -0.712 -29.650 1.00 1.73 H new ATOM 0 HD21 ASN A 21 -0.343 -0.642 -30.282 1.00 2.48 H new ATOM 0 HD22 ASN A 21 -1.173 0.616 -29.361 1.00 2.48 H new ATOM 298 N ALA A 22 -4.384 -0.247 -32.822 1.00 1.05 N ATOM 299 CA ALA A 22 -5.083 -0.967 -33.891 1.00 0.99 C ATOM 300 C ALA A 22 -5.871 -0.019 -34.794 1.00 1.10 C ATOM 301 O ALA A 22 -6.783 -0.443 -35.504 1.00 1.95 O ATOM 302 CB ALA A 22 -5.990 -2.040 -33.305 1.00 0.96 C ATOM 0 H ALA A 22 -3.368 -0.326 -32.868 1.00 1.05 H new ATOM 0 HA ALA A 22 -4.329 -1.450 -34.512 1.00 0.99 H new ATOM 0 HB1 ALA A 22 -6.501 -2.565 -34.112 1.00 0.96 H new ATOM 0 HB2 ALA A 22 -5.392 -2.749 -32.733 1.00 0.96 H new ATOM 0 HB3 ALA A 22 -6.727 -1.575 -32.650 1.00 0.96 H new ATOM 308 N VAL A 23 -5.479 1.253 -34.788 1.00 0.94 N ATOM 309 CA VAL A 23 -6.137 2.287 -35.583 1.00 0.99 C ATOM 310 C VAL A 23 -7.605 2.424 -35.180 1.00 1.04 C ATOM 311 O VAL A 23 -8.505 2.006 -35.911 1.00 1.72 O ATOM 312 CB VAL A 23 -6.031 2.020 -37.101 1.00 1.12 C ATOM 313 CG1 VAL A 23 -6.561 3.204 -37.897 1.00 1.60 C ATOM 314 CG2 VAL A 23 -4.593 1.709 -37.493 1.00 1.68 C ATOM 0 H VAL A 23 -4.696 1.596 -34.232 1.00 0.94 H new ATOM 0 HA VAL A 23 -5.615 3.222 -35.377 1.00 0.99 H new ATOM 0 HB VAL A 23 -6.645 1.151 -37.336 1.00 1.12 H new ATOM 0 HG11 VAL A 23 -6.476 2.993 -38.963 1.00 1.60 H new ATOM 0 HG12 VAL A 23 -7.607 3.374 -37.643 1.00 1.60 H new ATOM 0 HG13 VAL A 23 -5.980 4.094 -37.656 1.00 1.60 H new ATOM 0 HG21 VAL A 23 -4.540 1.524 -38.566 1.00 1.68 H new ATOM 0 HG22 VAL A 23 -3.955 2.556 -37.239 1.00 1.68 H new ATOM 0 HG23 VAL A 23 -4.253 0.824 -36.955 1.00 1.68 H new ATOM 324 N ARG A 24 -7.802 2.969 -33.973 1.00 0.69 N ATOM 325 CA ARG A 24 -9.125 3.268 -33.381 1.00 0.69 C ATOM 326 C ARG A 24 -10.122 2.110 -33.457 1.00 0.61 C ATOM 327 O ARG A 24 -11.328 2.319 -33.308 1.00 0.84 O ATOM 328 CB ARG A 24 -9.739 4.564 -33.966 1.00 0.85 C ATOM 329 CG ARG A 24 -9.872 4.628 -35.491 1.00 0.94 C ATOM 330 CD ARG A 24 -11.012 3.767 -36.027 1.00 1.08 C ATOM 331 NE ARG A 24 -12.298 4.090 -35.407 1.00 1.57 N ATOM 332 CZ ARG A 24 -13.481 3.833 -35.967 1.00 2.12 C ATOM 333 NH1 ARG A 24 -13.546 3.325 -37.194 1.00 2.44 N ATOM 334 NH2 ARG A 24 -14.602 4.095 -35.304 1.00 2.92 N ATOM 0 H ARG A 24 -7.028 3.224 -33.359 1.00 0.69 H new ATOM 0 HA ARG A 24 -8.927 3.425 -32.321 1.00 0.69 H new ATOM 0 HB2 ARG A 24 -10.729 4.699 -33.531 1.00 0.85 H new ATOM 0 HB3 ARG A 24 -9.130 5.407 -33.641 1.00 0.85 H new ATOM 0 HG2 ARG A 24 -10.033 5.663 -35.793 1.00 0.94 H new ATOM 0 HG3 ARG A 24 -8.935 4.305 -35.946 1.00 0.94 H new ATOM 0 HD2 ARG A 24 -11.088 3.902 -37.106 1.00 1.08 H new ATOM 0 HD3 ARG A 24 -10.782 2.716 -35.853 1.00 1.08 H new ATOM 0 HE ARG A 24 -12.289 4.539 -34.491 1.00 1.57 H new ATOM 0 HH11 ARG A 24 -12.689 3.130 -37.711 1.00 2.44 H new ATOM 0 HH12 ARG A 24 -14.453 3.130 -37.618 1.00 2.44 H new ATOM 0 HH21 ARG A 24 -14.559 4.493 -34.366 1.00 2.92 H new ATOM 0 HH22 ARG A 24 -15.506 3.898 -35.733 1.00 2.92 H new ATOM 348 N GLN A 25 -9.635 0.894 -33.620 1.00 0.44 N ATOM 349 CA GLN A 25 -10.522 -0.238 -33.826 1.00 0.43 C ATOM 350 C GLN A 25 -10.645 -1.100 -32.579 1.00 0.37 C ATOM 351 O GLN A 25 -9.690 -1.761 -32.172 1.00 0.49 O ATOM 352 CB GLN A 25 -10.034 -1.104 -34.989 1.00 0.48 C ATOM 353 CG GLN A 25 -11.011 -2.207 -35.346 1.00 0.64 C ATOM 354 CD GLN A 25 -12.373 -1.670 -35.754 1.00 0.76 C ATOM 355 OE1 GLN A 25 -12.481 -0.614 -36.377 1.00 1.28 O ATOM 356 NE2 GLN A 25 -13.422 -2.362 -35.347 1.00 1.34 N ATOM 0 H GLN A 25 -8.641 0.665 -33.614 1.00 0.44 H new ATOM 0 HA GLN A 25 -11.505 0.172 -34.059 1.00 0.43 H new ATOM 0 HB2 GLN A 25 -9.869 -0.473 -35.862 1.00 0.48 H new ATOM 0 HB3 GLN A 25 -9.072 -1.546 -34.729 1.00 0.48 H new ATOM 0 HG2 GLN A 25 -10.600 -2.802 -36.161 1.00 0.64 H new ATOM 0 HG3 GLN A 25 -11.128 -2.874 -34.492 1.00 0.64 H new ATOM 0 HE21 GLN A 25 -13.290 -3.233 -34.833 1.00 1.34 H new ATOM 0 HE22 GLN A 25 -14.364 -2.025 -35.547 1.00 1.34 H new ATOM 365 N LYS A 26 -11.830 -1.101 -31.981 1.00 0.26 N ATOM 366 CA LYS A 26 -12.114 -2.013 -30.885 1.00 0.21 C ATOM 367 C LYS A 26 -13.146 -3.042 -31.333 1.00 0.24 C ATOM 368 O LYS A 26 -14.125 -2.709 -31.995 1.00 0.43 O ATOM 369 CB LYS A 26 -12.649 -1.285 -29.648 1.00 0.30 C ATOM 370 CG LYS A 26 -11.874 -0.037 -29.263 1.00 0.69 C ATOM 371 CD LYS A 26 -12.245 0.435 -27.858 1.00 1.08 C ATOM 372 CE LYS A 26 -13.748 0.643 -27.688 1.00 1.59 C ATOM 373 NZ LYS A 26 -14.115 0.914 -26.267 1.00 2.11 N ATOM 0 H LYS A 26 -12.603 -0.485 -32.235 1.00 0.26 H new ATOM 0 HA LYS A 26 -11.175 -2.496 -30.614 1.00 0.21 H new ATOM 0 HB2 LYS A 26 -13.689 -1.010 -29.826 1.00 0.30 H new ATOM 0 HB3 LYS A 26 -12.642 -1.976 -28.805 1.00 0.30 H new ATOM 0 HG2 LYS A 26 -10.804 -0.242 -29.310 1.00 0.69 H new ATOM 0 HG3 LYS A 26 -12.078 0.757 -29.982 1.00 0.69 H new ATOM 0 HD2 LYS A 26 -11.898 -0.297 -27.129 1.00 1.08 H new ATOM 0 HD3 LYS A 26 -11.726 1.369 -27.643 1.00 1.08 H new ATOM 0 HE2 LYS A 26 -14.072 1.476 -28.312 1.00 1.59 H new ATOM 0 HE3 LYS A 26 -14.279 -0.242 -28.038 1.00 1.59 H new ATOM 0 HZ1 LYS A 26 -15.130 0.732 -26.130 1.00 2.11 H new ATOM 0 HZ2 LYS A 26 -13.564 0.292 -25.642 1.00 2.11 H new ATOM 0 HZ3 LYS A 26 -13.907 1.907 -26.038 1.00 2.11 H new ATOM 387 N LYS A 27 -12.901 -4.288 -30.998 1.00 0.12 N ATOM 388 CA LYS A 27 -13.861 -5.352 -31.207 1.00 0.12 C ATOM 389 C LYS A 27 -14.344 -5.861 -29.854 1.00 0.13 C ATOM 390 O LYS A 27 -13.578 -5.881 -28.895 1.00 0.19 O ATOM 391 CB LYS A 27 -13.214 -6.487 -32.003 1.00 0.14 C ATOM 392 CG LYS A 27 -13.011 -6.182 -33.475 1.00 0.19 C ATOM 393 CD LYS A 27 -14.333 -6.020 -34.205 1.00 0.28 C ATOM 394 CE LYS A 27 -14.125 -5.520 -35.624 1.00 0.44 C ATOM 395 NZ LYS A 27 -13.583 -6.566 -36.534 1.00 1.27 N ATOM 0 H LYS A 27 -12.027 -4.595 -30.571 1.00 0.12 H new ATOM 0 HA LYS A 27 -14.712 -4.974 -31.773 1.00 0.12 H new ATOM 0 HB2 LYS A 27 -12.248 -6.723 -31.557 1.00 0.14 H new ATOM 0 HB3 LYS A 27 -13.834 -7.379 -31.911 1.00 0.14 H new ATOM 0 HG2 LYS A 27 -12.424 -5.270 -33.580 1.00 0.19 H new ATOM 0 HG3 LYS A 27 -12.437 -6.985 -33.937 1.00 0.19 H new ATOM 0 HD2 LYS A 27 -14.857 -6.975 -34.227 1.00 0.28 H new ATOM 0 HD3 LYS A 27 -14.968 -5.321 -33.661 1.00 0.28 H new ATOM 0 HE2 LYS A 27 -15.074 -5.159 -36.019 1.00 0.44 H new ATOM 0 HE3 LYS A 27 -13.442 -4.670 -35.608 1.00 0.44 H new ATOM 0 HZ1 LYS A 27 -12.950 -6.125 -37.232 1.00 1.27 H new ATOM 0 HZ2 LYS A 27 -13.052 -7.267 -35.979 1.00 1.27 H new ATOM 0 HZ3 LYS A 27 -14.368 -7.037 -37.027 1.00 1.27 H new ATOM 409 N ARG A 28 -15.606 -6.247 -29.762 1.00 0.10 N ATOM 410 CA ARG A 28 -16.136 -6.765 -28.507 1.00 0.12 C ATOM 411 C ARG A 28 -16.682 -8.171 -28.690 1.00 0.09 C ATOM 412 O ARG A 28 -17.492 -8.426 -29.579 1.00 0.15 O ATOM 413 CB ARG A 28 -17.210 -5.835 -27.933 1.00 0.19 C ATOM 414 CG ARG A 28 -16.656 -4.469 -27.550 1.00 0.29 C ATOM 415 CD ARG A 28 -17.185 -3.980 -26.216 1.00 0.29 C ATOM 416 NE ARG A 28 -18.444 -3.255 -26.331 1.00 0.74 N ATOM 417 CZ ARG A 28 -18.675 -2.097 -25.712 1.00 1.15 C ATOM 418 NH1 ARG A 28 -17.694 -1.483 -25.053 1.00 1.40 N ATOM 419 NH2 ARG A 28 -19.872 -1.528 -25.783 1.00 1.65 N ATOM 0 H ARG A 28 -16.277 -6.213 -30.530 1.00 0.10 H new ATOM 0 HA ARG A 28 -15.315 -6.809 -27.792 1.00 0.12 H new ATOM 0 HB2 ARG A 28 -18.006 -5.708 -28.667 1.00 0.19 H new ATOM 0 HB3 ARG A 28 -17.658 -6.301 -27.055 1.00 0.19 H new ATOM 0 HG2 ARG A 28 -15.568 -4.521 -27.509 1.00 0.29 H new ATOM 0 HG3 ARG A 28 -16.912 -3.747 -28.325 1.00 0.29 H new ATOM 0 HD2 ARG A 28 -17.323 -4.833 -25.552 1.00 0.29 H new ATOM 0 HD3 ARG A 28 -16.441 -3.333 -25.752 1.00 0.29 H new ATOM 0 HE ARG A 28 -19.183 -3.652 -26.912 1.00 0.74 H new ATOM 0 HH11 ARG A 28 -16.763 -1.899 -25.021 1.00 1.40 H new ATOM 0 HH12 ARG A 28 -17.874 -0.597 -24.580 1.00 1.40 H new ATOM 0 HH21 ARG A 28 -20.619 -1.977 -26.313 1.00 1.65 H new ATOM 0 HH22 ARG A 28 -20.045 -0.642 -25.308 1.00 1.65 H new ATOM 433 N ALA A 29 -16.217 -9.078 -27.838 1.00 0.08 N ATOM 434 CA ALA A 29 -16.594 -10.482 -27.906 1.00 0.07 C ATOM 435 C ALA A 29 -16.381 -11.145 -26.555 1.00 0.06 C ATOM 436 O ALA A 29 -15.954 -10.500 -25.600 1.00 0.08 O ATOM 437 CB ALA A 29 -15.801 -11.207 -28.988 1.00 0.08 C ATOM 0 H ALA A 29 -15.569 -8.859 -27.082 1.00 0.08 H new ATOM 0 HA ALA A 29 -17.651 -10.543 -28.166 1.00 0.07 H new ATOM 0 HB1 ALA A 29 -16.101 -12.254 -29.019 1.00 0.08 H new ATOM 0 HB2 ALA A 29 -15.998 -10.744 -29.955 1.00 0.08 H new ATOM 0 HB3 ALA A 29 -14.736 -11.141 -28.765 1.00 0.08 H new ATOM 443 N THR A 30 -16.690 -12.421 -26.471 1.00 0.06 N ATOM 444 CA THR A 30 -16.566 -13.142 -25.220 1.00 0.06 C ATOM 445 C THR A 30 -15.287 -13.973 -25.205 1.00 0.06 C ATOM 446 O THR A 30 -14.868 -14.497 -26.242 1.00 0.08 O ATOM 447 CB THR A 30 -17.772 -14.071 -25.002 1.00 0.08 C ATOM 448 OG1 THR A 30 -18.813 -13.733 -25.926 1.00 0.14 O ATOM 449 CG2 THR A 30 -18.298 -13.950 -23.581 1.00 0.11 C ATOM 0 H THR A 30 -17.029 -12.981 -27.253 1.00 0.06 H new ATOM 0 HA THR A 30 -16.531 -12.406 -24.416 1.00 0.06 H new ATOM 0 HB THR A 30 -17.449 -15.099 -25.167 1.00 0.08 H new ATOM 0 HG1 THR A 30 -19.580 -14.327 -25.787 1.00 0.14 H new ATOM 0 HG21 THR A 30 -19.151 -14.616 -23.451 1.00 0.11 H new ATOM 0 HG22 THR A 30 -17.512 -14.225 -22.877 1.00 0.11 H new ATOM 0 HG23 THR A 30 -18.609 -12.922 -23.394 1.00 0.11 H new ATOM 457 N VAL A 31 -14.659 -14.071 -24.039 1.00 0.08 N ATOM 458 CA VAL A 31 -13.488 -14.922 -23.877 1.00 0.10 C ATOM 459 C VAL A 31 -13.879 -16.380 -24.069 1.00 0.11 C ATOM 460 O VAL A 31 -14.669 -16.924 -23.299 1.00 0.14 O ATOM 461 CB VAL A 31 -12.848 -14.764 -22.485 1.00 0.11 C ATOM 462 CG1 VAL A 31 -11.576 -15.588 -22.387 1.00 0.14 C ATOM 463 CG2 VAL A 31 -12.562 -13.308 -22.181 1.00 0.13 C ATOM 0 H VAL A 31 -14.941 -13.573 -23.195 1.00 0.08 H new ATOM 0 HA VAL A 31 -12.760 -14.616 -24.629 1.00 0.10 H new ATOM 0 HB VAL A 31 -13.557 -15.131 -21.743 1.00 0.11 H new ATOM 0 HG11 VAL A 31 -11.138 -15.464 -21.397 1.00 0.14 H new ATOM 0 HG12 VAL A 31 -11.810 -16.640 -22.551 1.00 0.14 H new ATOM 0 HG13 VAL A 31 -10.866 -15.252 -23.143 1.00 0.14 H new ATOM 0 HG21 VAL A 31 -12.110 -13.225 -21.192 1.00 0.13 H new ATOM 0 HG22 VAL A 31 -11.876 -12.908 -22.928 1.00 0.13 H new ATOM 0 HG23 VAL A 31 -13.493 -12.742 -22.203 1.00 0.13 H new ATOM 473 N ASP A 32 -13.337 -16.994 -25.101 1.00 0.12 N ATOM 474 CA ASP A 32 -13.579 -18.398 -25.376 1.00 0.15 C ATOM 475 C ASP A 32 -12.900 -19.260 -24.325 1.00 0.15 C ATOM 476 O ASP A 32 -13.522 -20.139 -23.730 1.00 0.19 O ATOM 477 CB ASP A 32 -13.053 -18.758 -26.768 1.00 0.21 C ATOM 478 CG ASP A 32 -13.030 -20.256 -27.017 1.00 0.34 C ATOM 479 OD1 ASP A 32 -11.939 -20.858 -26.934 1.00 0.46 O ATOM 480 OD2 ASP A 32 -14.102 -20.835 -27.303 1.00 0.60 O ATOM 0 H ASP A 32 -12.718 -16.537 -25.771 1.00 0.12 H new ATOM 0 HA ASP A 32 -14.653 -18.583 -25.345 1.00 0.15 H new ATOM 0 HB2 ASP A 32 -13.676 -18.278 -27.523 1.00 0.21 H new ATOM 0 HB3 ASP A 32 -12.046 -18.359 -26.886 1.00 0.21 H new ATOM 485 N SER A 33 -11.631 -18.965 -24.073 1.00 0.14 N ATOM 486 CA SER A 33 -10.818 -19.761 -23.174 1.00 0.18 C ATOM 487 C SER A 33 -9.630 -18.941 -22.696 1.00 0.13 C ATOM 488 O SER A 33 -9.276 -17.937 -23.311 1.00 0.14 O ATOM 489 CB SER A 33 -10.300 -21.026 -23.877 1.00 0.27 C ATOM 490 OG SER A 33 -11.350 -21.796 -24.436 1.00 1.07 O ATOM 0 H SER A 33 -11.142 -18.171 -24.486 1.00 0.14 H new ATOM 0 HA SER A 33 -11.437 -20.056 -22.327 1.00 0.18 H new ATOM 0 HB2 SER A 33 -9.601 -20.742 -24.664 1.00 0.27 H new ATOM 0 HB3 SER A 33 -9.745 -21.635 -23.163 1.00 0.27 H new ATOM 0 HG SER A 33 -11.627 -21.401 -25.289 1.00 1.07 H new ATOM 496 N ILE A 34 -9.030 -19.362 -21.598 1.00 0.16 N ATOM 497 CA ILE A 34 -7.797 -18.757 -21.111 1.00 0.14 C ATOM 498 C ILE A 34 -6.851 -19.849 -20.636 1.00 0.16 C ATOM 499 O ILE A 34 -7.246 -20.748 -19.892 1.00 0.19 O ATOM 500 CB ILE A 34 -8.059 -17.721 -19.985 1.00 0.16 C ATOM 501 CG1 ILE A 34 -8.433 -16.367 -20.598 1.00 0.14 C ATOM 502 CG2 ILE A 34 -6.849 -17.572 -19.062 1.00 0.19 C ATOM 503 CD1 ILE A 34 -8.855 -15.321 -19.586 1.00 0.17 C ATOM 0 H ILE A 34 -9.378 -20.127 -21.020 1.00 0.16 H new ATOM 0 HA ILE A 34 -7.337 -18.211 -21.935 1.00 0.14 H new ATOM 0 HB ILE A 34 -8.890 -18.085 -19.380 1.00 0.16 H new ATOM 0 HG12 ILE A 34 -7.580 -15.988 -21.161 1.00 0.14 H new ATOM 0 HG13 ILE A 34 -9.245 -16.515 -21.310 1.00 0.14 H new ATOM 0 HG21 ILE A 34 -7.071 -16.838 -18.287 1.00 0.19 H new ATOM 0 HG22 ILE A 34 -6.624 -18.533 -18.599 1.00 0.19 H new ATOM 0 HG23 ILE A 34 -5.988 -17.238 -19.642 1.00 0.19 H new ATOM 0 HD11 ILE A 34 -9.102 -14.394 -20.103 1.00 0.17 H new ATOM 0 HD12 ILE A 34 -9.728 -15.676 -19.039 1.00 0.17 H new ATOM 0 HD13 ILE A 34 -8.038 -15.140 -18.887 1.00 0.17 H new ATOM 515 N LYS A 35 -5.615 -19.774 -21.095 1.00 0.17 N ATOM 516 CA LYS A 35 -4.629 -20.800 -20.833 1.00 0.21 C ATOM 517 C LYS A 35 -3.344 -20.174 -20.308 1.00 0.20 C ATOM 518 O LYS A 35 -2.504 -19.718 -21.087 1.00 0.22 O ATOM 519 CB LYS A 35 -4.340 -21.577 -22.115 1.00 0.24 C ATOM 520 CG LYS A 35 -5.566 -22.284 -22.679 1.00 0.34 C ATOM 521 CD LYS A 35 -6.130 -23.295 -21.688 1.00 0.47 C ATOM 522 CE LYS A 35 -7.555 -23.680 -22.043 1.00 0.64 C ATOM 523 NZ LYS A 35 -8.137 -24.630 -21.061 1.00 1.56 N ATOM 0 H LYS A 35 -5.269 -18.999 -21.660 1.00 0.17 H new ATOM 0 HA LYS A 35 -5.021 -21.482 -20.079 1.00 0.21 H new ATOM 0 HB2 LYS A 35 -3.946 -20.892 -22.866 1.00 0.24 H new ATOM 0 HB3 LYS A 35 -3.562 -22.315 -21.917 1.00 0.24 H new ATOM 0 HG2 LYS A 35 -6.331 -21.548 -22.925 1.00 0.34 H new ATOM 0 HG3 LYS A 35 -5.301 -22.791 -23.607 1.00 0.34 H new ATOM 0 HD2 LYS A 35 -5.502 -24.186 -21.677 1.00 0.47 H new ATOM 0 HD3 LYS A 35 -6.104 -22.875 -20.682 1.00 0.47 H new ATOM 0 HE2 LYS A 35 -8.172 -22.783 -22.089 1.00 0.64 H new ATOM 0 HE3 LYS A 35 -7.572 -24.129 -23.036 1.00 0.64 H new ATOM 0 HZ1 LYS A 35 -9.110 -24.866 -21.341 1.00 1.56 H new ATOM 0 HZ2 LYS A 35 -7.564 -25.497 -21.035 1.00 1.56 H new ATOM 0 HZ3 LYS A 35 -8.145 -24.192 -20.118 1.00 1.56 H new ATOM 537 N GLY A 36 -3.212 -20.126 -18.993 1.00 0.25 N ATOM 538 CA GLY A 36 -2.021 -19.564 -18.386 1.00 0.28 C ATOM 539 C GLY A 36 -1.900 -18.070 -18.617 1.00 0.24 C ATOM 540 O GLY A 36 -2.621 -17.279 -18.013 1.00 0.29 O ATOM 0 H GLY A 36 -3.909 -20.467 -18.331 1.00 0.25 H new ATOM 0 HA2 GLY A 36 -2.035 -19.763 -17.314 1.00 0.28 H new ATOM 0 HA3 GLY A 36 -1.141 -20.063 -18.791 1.00 0.28 H new ATOM 544 N GLN A 37 -0.987 -17.684 -19.501 1.00 0.21 N ATOM 545 CA GLN A 37 -0.749 -16.273 -19.789 1.00 0.20 C ATOM 546 C GLN A 37 -1.434 -15.871 -21.083 1.00 0.17 C ATOM 547 O GLN A 37 -1.151 -14.814 -21.632 1.00 0.21 O ATOM 548 CB GLN A 37 0.750 -15.992 -19.922 1.00 0.24 C ATOM 549 CG GLN A 37 1.593 -16.587 -18.813 1.00 0.36 C ATOM 550 CD GLN A 37 3.076 -16.335 -18.997 1.00 1.27 C ATOM 551 OE1 GLN A 37 3.571 -16.236 -20.117 1.00 2.10 O ATOM 552 NE2 GLN A 37 3.795 -16.227 -17.890 1.00 1.94 N ATOM 0 H GLN A 37 -0.399 -18.327 -20.031 1.00 0.21 H new ATOM 0 HA GLN A 37 -1.157 -15.694 -18.960 1.00 0.20 H new ATOM 0 HB2 GLN A 37 1.098 -16.383 -20.878 1.00 0.24 H new ATOM 0 HB3 GLN A 37 0.906 -14.913 -19.943 1.00 0.24 H new ATOM 0 HG2 GLN A 37 1.275 -16.169 -17.858 1.00 0.36 H new ATOM 0 HG3 GLN A 37 1.416 -17.661 -18.766 1.00 0.36 H new ATOM 0 HE21 GLN A 37 3.345 -16.316 -16.979 1.00 1.94 H new ATOM 0 HE22 GLN A 37 4.799 -16.055 -17.949 1.00 1.94 H new ATOM 561 N PHE A 38 -2.327 -16.706 -21.583 1.00 0.13 N ATOM 562 CA PHE A 38 -2.937 -16.446 -22.874 1.00 0.11 C ATOM 563 C PHE A 38 -4.430 -16.628 -22.822 1.00 0.10 C ATOM 564 O PHE A 38 -4.938 -17.511 -22.143 1.00 0.12 O ATOM 565 CB PHE A 38 -2.321 -17.343 -23.952 1.00 0.13 C ATOM 566 CG PHE A 38 -0.857 -17.094 -24.131 1.00 0.18 C ATOM 567 CD1 PHE A 38 -0.415 -16.114 -25.003 1.00 0.21 C ATOM 568 CD2 PHE A 38 0.075 -17.807 -23.394 1.00 0.23 C ATOM 569 CE1 PHE A 38 0.931 -15.848 -25.135 1.00 0.28 C ATOM 570 CE2 PHE A 38 1.423 -17.551 -23.529 1.00 0.29 C ATOM 571 CZ PHE A 38 1.848 -16.568 -24.397 1.00 0.32 C ATOM 0 H PHE A 38 -2.643 -17.559 -21.122 1.00 0.13 H new ATOM 0 HA PHE A 38 -2.738 -15.406 -23.133 1.00 0.11 H new ATOM 0 HB2 PHE A 38 -2.479 -18.388 -23.686 1.00 0.13 H new ATOM 0 HB3 PHE A 38 -2.834 -17.174 -24.899 1.00 0.13 H new ATOM 0 HD1 PHE A 38 -1.131 -15.553 -25.585 1.00 0.21 H new ATOM 0 HD2 PHE A 38 -0.258 -18.571 -22.707 1.00 0.23 H new ATOM 0 HE1 PHE A 38 1.267 -15.078 -25.814 1.00 0.28 H new ATOM 0 HE2 PHE A 38 2.143 -18.118 -22.957 1.00 0.29 H new ATOM 0 HZ PHE A 38 2.903 -16.361 -24.500 1.00 0.32 H new ATOM 581 N GLY A 39 -5.126 -15.775 -23.534 1.00 0.09 N ATOM 582 CA GLY A 39 -6.558 -15.872 -23.609 1.00 0.09 C ATOM 583 C GLY A 39 -7.020 -15.917 -25.036 1.00 0.09 C ATOM 584 O GLY A 39 -6.304 -15.488 -25.938 1.00 0.11 O ATOM 0 H GLY A 39 -4.721 -15.007 -24.069 1.00 0.09 H new ATOM 0 HA2 GLY A 39 -6.893 -16.768 -23.086 1.00 0.09 H new ATOM 0 HA3 GLY A 39 -7.011 -15.019 -23.103 1.00 0.09 H new ATOM 588 N PHE A 40 -8.198 -16.451 -25.247 1.00 0.09 N ATOM 589 CA PHE A 40 -8.760 -16.541 -26.570 1.00 0.10 C ATOM 590 C PHE A 40 -10.178 -16.017 -26.551 1.00 0.10 C ATOM 591 O PHE A 40 -10.867 -16.113 -25.539 1.00 0.18 O ATOM 592 CB PHE A 40 -8.741 -17.991 -27.063 1.00 0.12 C ATOM 593 CG PHE A 40 -7.378 -18.623 -27.042 1.00 0.12 C ATOM 594 CD1 PHE A 40 -6.899 -19.236 -25.891 1.00 0.14 C ATOM 595 CD2 PHE A 40 -6.577 -18.600 -28.170 1.00 0.13 C ATOM 596 CE1 PHE A 40 -5.645 -19.812 -25.869 1.00 0.16 C ATOM 597 CE2 PHE A 40 -5.320 -19.176 -28.153 1.00 0.16 C ATOM 598 CZ PHE A 40 -4.855 -19.784 -27.000 1.00 0.17 C ATOM 0 H PHE A 40 -8.791 -16.833 -24.510 1.00 0.09 H new ATOM 0 HA PHE A 40 -8.160 -15.939 -27.253 1.00 0.10 H new ATOM 0 HB2 PHE A 40 -9.415 -18.584 -26.445 1.00 0.12 H new ATOM 0 HB3 PHE A 40 -9.130 -18.024 -28.081 1.00 0.12 H new ATOM 0 HD1 PHE A 40 -7.515 -19.262 -25.004 1.00 0.14 H new ATOM 0 HD2 PHE A 40 -6.937 -18.128 -29.072 1.00 0.13 H new ATOM 0 HE1 PHE A 40 -5.283 -20.284 -24.968 1.00 0.16 H new ATOM 0 HE2 PHE A 40 -4.702 -19.151 -29.038 1.00 0.16 H new ATOM 0 HZ PHE A 40 -3.874 -20.236 -26.985 1.00 0.17 H new ATOM 608 N LEU A 41 -10.604 -15.454 -27.659 1.00 0.10 N ATOM 609 CA LEU A 41 -11.937 -14.893 -27.762 1.00 0.09 C ATOM 610 C LEU A 41 -12.647 -15.534 -28.935 1.00 0.09 C ATOM 611 O LEU A 41 -12.000 -15.914 -29.916 1.00 0.13 O ATOM 612 CB LEU A 41 -11.857 -13.380 -27.949 1.00 0.09 C ATOM 613 CG LEU A 41 -10.773 -12.705 -27.117 1.00 0.15 C ATOM 614 CD1 LEU A 41 -10.451 -11.335 -27.665 1.00 0.59 C ATOM 615 CD2 LEU A 41 -11.210 -12.610 -25.670 1.00 0.53 C ATOM 0 H LEU A 41 -10.045 -15.371 -28.508 1.00 0.10 H new ATOM 0 HA LEU A 41 -12.494 -15.093 -26.847 1.00 0.09 H new ATOM 0 HB2 LEU A 41 -11.678 -13.164 -29.002 1.00 0.09 H new ATOM 0 HB3 LEU A 41 -12.822 -12.942 -27.693 1.00 0.09 H new ATOM 0 HG LEU A 41 -9.869 -13.311 -27.171 1.00 0.15 H new ATOM 0 HD11 LEU A 41 -9.675 -10.872 -27.055 1.00 0.59 H new ATOM 0 HD12 LEU A 41 -10.098 -11.428 -28.692 1.00 0.59 H new ATOM 0 HD13 LEU A 41 -11.347 -10.715 -27.644 1.00 0.59 H new ATOM 0 HD21 LEU A 41 -10.428 -12.126 -25.085 1.00 0.53 H new ATOM 0 HD22 LEU A 41 -12.127 -12.024 -25.605 1.00 0.53 H new ATOM 0 HD23 LEU A 41 -11.390 -13.611 -25.278 1.00 0.53 H new ATOM 627 N ASN A 42 -13.961 -15.676 -28.849 1.00 0.11 N ATOM 628 CA ASN A 42 -14.703 -16.311 -29.927 1.00 0.15 C ATOM 629 C ASN A 42 -14.888 -15.325 -31.075 1.00 0.14 C ATOM 630 O ASN A 42 -15.971 -14.784 -31.291 1.00 0.17 O ATOM 631 CB ASN A 42 -16.054 -16.835 -29.441 1.00 0.22 C ATOM 632 CG ASN A 42 -16.642 -17.858 -30.396 1.00 0.79 C ATOM 633 OD1 ASN A 42 -15.913 -18.598 -31.062 1.00 1.53 O ATOM 634 ND2 ASN A 42 -17.961 -17.907 -30.466 1.00 1.37 N ATOM 0 H ASN A 42 -14.527 -15.366 -28.059 1.00 0.11 H new ATOM 0 HA ASN A 42 -14.130 -17.168 -30.281 1.00 0.15 H new ATOM 0 HB2 ASN A 42 -15.935 -17.285 -28.455 1.00 0.22 H new ATOM 0 HB3 ASN A 42 -16.748 -16.002 -29.330 1.00 0.22 H new ATOM 0 HD21 ASN A 42 -18.414 -18.576 -31.089 1.00 1.37 H new ATOM 0 HD22 ASN A 42 -18.526 -17.276 -29.897 1.00 1.37 H new ATOM 641 N PHE A 43 -13.796 -15.077 -31.779 1.00 0.12 N ATOM 642 CA PHE A 43 -13.781 -14.160 -32.901 1.00 0.13 C ATOM 643 C PHE A 43 -12.925 -14.747 -34.012 1.00 0.16 C ATOM 644 O PHE A 43 -11.697 -14.688 -33.961 1.00 0.18 O ATOM 645 CB PHE A 43 -13.236 -12.795 -32.459 1.00 0.12 C ATOM 646 CG PHE A 43 -13.445 -11.694 -33.465 1.00 0.16 C ATOM 647 CD1 PHE A 43 -14.639 -10.988 -33.500 1.00 0.21 C ATOM 648 CD2 PHE A 43 -12.449 -11.359 -34.365 1.00 0.22 C ATOM 649 CE1 PHE A 43 -14.831 -9.972 -34.416 1.00 0.27 C ATOM 650 CE2 PHE A 43 -12.637 -10.345 -35.284 1.00 0.27 C ATOM 651 CZ PHE A 43 -13.827 -9.652 -35.308 1.00 0.28 C ATOM 0 H PHE A 43 -12.892 -15.509 -31.586 1.00 0.12 H new ATOM 0 HA PHE A 43 -14.796 -14.015 -33.272 1.00 0.13 H new ATOM 0 HB2 PHE A 43 -13.714 -12.511 -31.521 1.00 0.12 H new ATOM 0 HB3 PHE A 43 -12.169 -12.890 -32.257 1.00 0.12 H new ATOM 0 HD1 PHE A 43 -15.427 -11.235 -32.804 1.00 0.21 H new ATOM 0 HD2 PHE A 43 -11.513 -11.897 -34.349 1.00 0.22 H new ATOM 0 HE1 PHE A 43 -15.764 -9.429 -34.434 1.00 0.27 H new ATOM 0 HE2 PHE A 43 -11.852 -10.096 -35.983 1.00 0.27 H new ATOM 0 HZ PHE A 43 -13.975 -8.858 -36.025 1.00 0.28 H new ATOM 661 N GLU A 44 -13.580 -15.356 -34.982 1.00 0.23 N ATOM 662 CA GLU A 44 -12.889 -16.043 -36.063 1.00 0.30 C ATOM 663 C GLU A 44 -12.516 -15.056 -37.167 1.00 0.29 C ATOM 664 O GLU A 44 -13.350 -14.645 -37.974 1.00 0.39 O ATOM 665 CB GLU A 44 -13.769 -17.181 -36.576 1.00 0.44 C ATOM 666 CG GLU A 44 -14.213 -18.102 -35.445 1.00 0.60 C ATOM 667 CD GLU A 44 -15.195 -19.168 -35.873 1.00 1.14 C ATOM 668 OE1 GLU A 44 -15.000 -20.344 -35.514 1.00 1.81 O ATOM 669 OE2 GLU A 44 -16.145 -18.838 -36.612 1.00 1.57 O ATOM 0 H GLU A 44 -14.597 -15.390 -35.046 1.00 0.23 H new ATOM 0 HA GLU A 44 -11.957 -16.474 -35.698 1.00 0.30 H new ATOM 0 HB2 GLU A 44 -14.646 -16.767 -37.074 1.00 0.44 H new ATOM 0 HB3 GLU A 44 -13.221 -17.757 -37.321 1.00 0.44 H new ATOM 0 HG2 GLU A 44 -13.334 -18.583 -35.015 1.00 0.60 H new ATOM 0 HG3 GLU A 44 -14.665 -17.501 -34.656 1.00 0.60 H new ATOM 676 N VAL A 45 -11.252 -14.666 -37.162 1.00 0.30 N ATOM 677 CA VAL A 45 -10.717 -13.679 -38.099 1.00 0.38 C ATOM 678 C VAL A 45 -10.398 -14.328 -39.436 1.00 0.45 C ATOM 679 O VAL A 45 -10.499 -13.712 -40.493 1.00 0.58 O ATOM 680 CB VAL A 45 -9.430 -13.058 -37.523 1.00 0.44 C ATOM 681 CG1 VAL A 45 -9.736 -12.360 -36.216 1.00 0.85 C ATOM 682 CG2 VAL A 45 -8.375 -14.131 -37.307 1.00 0.71 C ATOM 0 H VAL A 45 -10.559 -15.025 -36.505 1.00 0.30 H new ATOM 0 HA VAL A 45 -11.470 -12.905 -38.249 1.00 0.38 H new ATOM 0 HB VAL A 45 -9.043 -12.329 -38.235 1.00 0.44 H new ATOM 0 HG11 VAL A 45 -8.822 -11.923 -35.814 1.00 0.85 H new ATOM 0 HG12 VAL A 45 -10.470 -11.572 -36.387 1.00 0.85 H new ATOM 0 HG13 VAL A 45 -10.137 -13.081 -35.504 1.00 0.85 H new ATOM 0 HG21 VAL A 45 -7.472 -13.676 -36.900 1.00 0.71 H new ATOM 0 HG22 VAL A 45 -8.753 -14.877 -36.608 1.00 0.71 H new ATOM 0 HG23 VAL A 45 -8.143 -14.610 -38.258 1.00 0.71 H new ATOM 692 N GLU A 46 -10.014 -15.579 -39.351 1.00 0.51 N ATOM 693 CA GLU A 46 -9.647 -16.379 -40.477 1.00 0.61 C ATOM 694 C GLU A 46 -10.356 -17.712 -40.286 1.00 0.62 C ATOM 695 O GLU A 46 -11.042 -17.871 -39.278 1.00 0.97 O ATOM 696 CB GLU A 46 -8.110 -16.489 -40.485 1.00 0.75 C ATOM 697 CG GLU A 46 -7.534 -17.616 -41.312 1.00 0.88 C ATOM 698 CD GLU A 46 -7.710 -17.418 -42.804 1.00 1.35 C ATOM 699 OE1 GLU A 46 -8.735 -17.872 -43.348 1.00 2.24 O ATOM 700 OE2 GLU A 46 -6.819 -16.815 -43.436 1.00 1.57 O ATOM 0 H GLU A 46 -9.949 -16.077 -38.463 1.00 0.51 H new ATOM 0 HA GLU A 46 -9.939 -15.967 -41.443 1.00 0.61 H new ATOM 0 HB2 GLU A 46 -7.699 -15.548 -40.852 1.00 0.75 H new ATOM 0 HB3 GLU A 46 -7.768 -16.607 -39.457 1.00 0.75 H new ATOM 0 HG2 GLU A 46 -6.472 -17.714 -41.089 1.00 0.88 H new ATOM 0 HG3 GLU A 46 -8.009 -18.552 -41.019 1.00 0.88 H new ATOM 707 N ASP A 47 -10.214 -18.623 -41.239 1.00 0.85 N ATOM 708 CA ASP A 47 -10.828 -19.956 -41.202 1.00 0.84 C ATOM 709 C ASP A 47 -10.801 -20.600 -39.815 1.00 0.83 C ATOM 710 O ASP A 47 -9.873 -21.340 -39.481 1.00 1.18 O ATOM 711 CB ASP A 47 -10.080 -20.863 -42.163 1.00 0.90 C ATOM 712 CG ASP A 47 -10.748 -22.207 -42.361 1.00 1.18 C ATOM 713 OD1 ASP A 47 -11.994 -22.257 -42.410 1.00 1.30 O ATOM 714 OD2 ASP A 47 -10.022 -23.212 -42.500 1.00 1.55 O ATOM 0 H ASP A 47 -9.659 -18.459 -42.079 1.00 0.85 H new ATOM 0 HA ASP A 47 -11.874 -19.832 -41.482 1.00 0.84 H new ATOM 0 HB2 ASP A 47 -9.991 -20.364 -43.128 1.00 0.90 H new ATOM 0 HB3 ASP A 47 -9.068 -21.020 -41.790 1.00 0.90 H new ATOM 719 N GLY A 48 -11.790 -20.274 -38.994 1.00 0.65 N ATOM 720 CA GLY A 48 -11.937 -20.914 -37.705 1.00 0.67 C ATOM 721 C GLY A 48 -10.892 -20.441 -36.723 1.00 0.58 C ATOM 722 O GLY A 48 -10.766 -20.985 -35.629 1.00 0.66 O ATOM 0 H GLY A 48 -12.499 -19.571 -39.202 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -12.930 -20.707 -37.307 1.00 0.67 H new ATOM 0 HA3 GLY A 48 -11.861 -21.995 -37.825 1.00 0.67 H new ATOM 726 N LYS A 49 -10.140 -19.421 -37.124 1.00 0.48 N ATOM 727 CA LYS A 49 -9.067 -18.895 -36.316 1.00 0.44 C ATOM 728 C LYS A 49 -9.614 -18.228 -35.066 1.00 0.36 C ATOM 729 O LYS A 49 -10.234 -17.169 -35.147 1.00 0.35 O ATOM 730 CB LYS A 49 -8.267 -17.888 -37.129 1.00 0.50 C ATOM 731 CG LYS A 49 -6.992 -18.443 -37.729 1.00 0.71 C ATOM 732 CD LYS A 49 -5.877 -18.467 -36.706 1.00 0.93 C ATOM 733 CE LYS A 49 -4.525 -18.505 -37.385 1.00 1.41 C ATOM 734 NZ LYS A 49 -4.220 -19.841 -37.960 1.00 2.50 N ATOM 0 H LYS A 49 -10.264 -18.943 -38.017 1.00 0.48 H new ATOM 0 HA LYS A 49 -8.420 -19.718 -36.013 1.00 0.44 H new ATOM 0 HB2 LYS A 49 -8.896 -17.506 -37.933 1.00 0.50 H new ATOM 0 HB3 LYS A 49 -8.016 -17.041 -36.491 1.00 0.50 H new ATOM 0 HG2 LYS A 49 -7.170 -19.452 -38.102 1.00 0.71 H new ATOM 0 HG3 LYS A 49 -6.693 -17.836 -38.583 1.00 0.71 H new ATOM 0 HD2 LYS A 49 -5.944 -17.586 -36.068 1.00 0.93 H new ATOM 0 HD3 LYS A 49 -5.989 -19.338 -36.060 1.00 0.93 H new ATOM 0 HE2 LYS A 49 -4.497 -17.756 -38.177 1.00 1.41 H new ATOM 0 HE3 LYS A 49 -3.752 -18.237 -36.665 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 -3.285 -19.818 -38.414 1.00 2.50 H new ATOM 0 HZ2 LYS A 49 -4.220 -20.553 -37.202 1.00 2.50 H new ATOM 0 HZ3 LYS A 49 -4.942 -20.088 -38.667 1.00 2.50 H new ATOM 748 N LYS A 50 -9.381 -18.840 -33.920 1.00 0.37 N ATOM 749 CA LYS A 50 -9.829 -18.273 -32.664 1.00 0.32 C ATOM 750 C LYS A 50 -8.862 -17.180 -32.238 1.00 0.27 C ATOM 751 O LYS A 50 -7.657 -17.421 -32.133 1.00 0.36 O ATOM 752 CB LYS A 50 -9.906 -19.358 -31.589 1.00 0.41 C ATOM 753 CG LYS A 50 -10.915 -19.068 -30.487 1.00 0.47 C ATOM 754 CD LYS A 50 -12.349 -19.117 -31.008 1.00 0.47 C ATOM 755 CE LYS A 50 -12.758 -20.531 -31.395 1.00 0.69 C ATOM 756 NZ LYS A 50 -14.118 -20.582 -32.010 1.00 1.32 N ATOM 0 H LYS A 50 -8.885 -19.727 -33.834 1.00 0.37 H new ATOM 0 HA LYS A 50 -10.824 -17.848 -32.793 1.00 0.32 H new ATOM 0 HB2 LYS A 50 -10.163 -20.306 -32.062 1.00 0.41 H new ATOM 0 HB3 LYS A 50 -8.920 -19.482 -31.141 1.00 0.41 H new ATOM 0 HG2 LYS A 50 -10.795 -19.794 -29.683 1.00 0.47 H new ATOM 0 HG3 LYS A 50 -10.716 -18.085 -30.061 1.00 0.47 H new ATOM 0 HD2 LYS A 50 -13.027 -18.738 -30.244 1.00 0.47 H new ATOM 0 HD3 LYS A 50 -12.445 -18.461 -31.873 1.00 0.47 H new ATOM 0 HE2 LYS A 50 -12.030 -20.938 -32.096 1.00 0.69 H new ATOM 0 HE3 LYS A 50 -12.738 -21.167 -30.510 1.00 0.69 H new ATOM 0 HZ1 LYS A 50 -14.547 -21.512 -31.827 1.00 1.32 H new ATOM 0 HZ2 LYS A 50 -14.715 -19.838 -31.595 1.00 1.32 H new ATOM 0 HZ3 LYS A 50 -14.041 -20.432 -33.036 1.00 1.32 H new ATOM 770 N LEU A 51 -9.381 -15.979 -32.024 1.00 0.19 N ATOM 771 CA LEU A 51 -8.547 -14.848 -31.650 1.00 0.13 C ATOM 772 C LEU A 51 -7.835 -15.107 -30.333 1.00 0.12 C ATOM 773 O LEU A 51 -8.438 -15.599 -29.383 1.00 0.16 O ATOM 774 CB LEU A 51 -9.369 -13.570 -31.534 1.00 0.13 C ATOM 775 CG LEU A 51 -9.042 -12.488 -32.570 1.00 0.13 C ATOM 776 CD1 LEU A 51 -9.782 -11.207 -32.252 1.00 0.19 C ATOM 777 CD2 LEU A 51 -7.546 -12.227 -32.629 1.00 0.16 C ATOM 0 H LEU A 51 -10.375 -15.764 -32.103 1.00 0.19 H new ATOM 0 HA LEU A 51 -7.806 -14.722 -32.439 1.00 0.13 H new ATOM 0 HB2 LEU A 51 -10.425 -13.827 -31.621 1.00 0.13 H new ATOM 0 HB3 LEU A 51 -9.224 -13.152 -30.538 1.00 0.13 H new ATOM 0 HG LEU A 51 -9.367 -12.848 -33.546 1.00 0.13 H new ATOM 0 HD11 LEU A 51 -9.537 -10.451 -32.998 1.00 0.19 H new ATOM 0 HD12 LEU A 51 -10.856 -11.395 -32.264 1.00 0.19 H new ATOM 0 HD13 LEU A 51 -9.487 -10.852 -31.265 1.00 0.19 H new ATOM 0 HD21 LEU A 51 -7.340 -11.456 -33.371 1.00 0.16 H new ATOM 0 HD22 LEU A 51 -7.196 -11.893 -31.652 1.00 0.16 H new ATOM 0 HD23 LEU A 51 -7.027 -13.145 -32.906 1.00 0.16 H new ATOM 789 N PHE A 52 -6.556 -14.772 -30.282 1.00 0.12 N ATOM 790 CA PHE A 52 -5.778 -14.954 -29.071 1.00 0.11 C ATOM 791 C PHE A 52 -5.265 -13.616 -28.560 1.00 0.10 C ATOM 792 O PHE A 52 -5.214 -12.631 -29.306 1.00 0.12 O ATOM 793 CB PHE A 52 -4.596 -15.904 -29.317 1.00 0.14 C ATOM 794 CG PHE A 52 -3.449 -15.289 -30.082 1.00 0.20 C ATOM 795 CD1 PHE A 52 -3.438 -15.285 -31.467 1.00 0.29 C ATOM 796 CD2 PHE A 52 -2.381 -14.714 -29.405 1.00 0.28 C ATOM 797 CE1 PHE A 52 -2.383 -14.721 -32.161 1.00 0.38 C ATOM 798 CE2 PHE A 52 -1.328 -14.150 -30.093 1.00 0.37 C ATOM 799 CZ PHE A 52 -1.327 -14.152 -31.474 1.00 0.39 C ATOM 0 H PHE A 52 -6.037 -14.373 -31.064 1.00 0.12 H new ATOM 0 HA PHE A 52 -6.430 -15.396 -28.318 1.00 0.11 H new ATOM 0 HB2 PHE A 52 -4.226 -16.260 -28.356 1.00 0.14 H new ATOM 0 HB3 PHE A 52 -4.955 -16.776 -29.863 1.00 0.14 H new ATOM 0 HD1 PHE A 52 -4.261 -15.726 -32.010 1.00 0.29 H new ATOM 0 HD2 PHE A 52 -2.376 -14.709 -28.325 1.00 0.28 H new ATOM 0 HE1 PHE A 52 -2.384 -14.725 -33.241 1.00 0.38 H new ATOM 0 HE2 PHE A 52 -0.505 -13.707 -29.553 1.00 0.37 H new ATOM 0 HZ PHE A 52 -0.504 -13.710 -32.016 1.00 0.39 H new ATOM 809 N PHE A 53 -4.896 -13.590 -27.290 1.00 0.10 N ATOM 810 CA PHE A 53 -4.254 -12.434 -26.702 1.00 0.10 C ATOM 811 C PHE A 53 -3.330 -12.882 -25.580 1.00 0.11 C ATOM 812 O PHE A 53 -3.538 -13.947 -24.988 1.00 0.13 O ATOM 813 CB PHE A 53 -5.298 -11.430 -26.189 1.00 0.10 C ATOM 814 CG PHE A 53 -6.108 -11.874 -24.998 1.00 0.10 C ATOM 815 CD1 PHE A 53 -5.596 -11.780 -23.712 1.00 0.13 C ATOM 816 CD2 PHE A 53 -7.394 -12.363 -25.165 1.00 0.11 C ATOM 817 CE1 PHE A 53 -6.348 -12.169 -22.619 1.00 0.16 C ATOM 818 CE2 PHE A 53 -8.148 -12.753 -24.080 1.00 0.13 C ATOM 819 CZ PHE A 53 -7.627 -12.658 -22.806 1.00 0.14 C ATOM 0 H PHE A 53 -5.034 -14.367 -26.644 1.00 0.10 H new ATOM 0 HA PHE A 53 -3.662 -11.929 -27.466 1.00 0.10 H new ATOM 0 HB2 PHE A 53 -4.786 -10.503 -25.931 1.00 0.10 H new ATOM 0 HB3 PHE A 53 -5.983 -11.199 -27.005 1.00 0.10 H new ATOM 0 HD1 PHE A 53 -4.597 -11.398 -23.563 1.00 0.13 H new ATOM 0 HD2 PHE A 53 -7.810 -12.439 -26.159 1.00 0.11 H new ATOM 0 HE1 PHE A 53 -5.938 -12.091 -21.623 1.00 0.16 H new ATOM 0 HE2 PHE A 53 -9.148 -13.134 -24.227 1.00 0.13 H new ATOM 0 HZ PHE A 53 -8.218 -12.965 -21.956 1.00 0.14 H new ATOM 829 N HIS A 54 -2.308 -12.097 -25.303 1.00 0.13 N ATOM 830 CA HIS A 54 -1.433 -12.388 -24.189 1.00 0.15 C ATOM 831 C HIS A 54 -1.949 -11.647 -22.957 1.00 0.15 C ATOM 832 O HIS A 54 -2.539 -10.571 -23.068 1.00 0.16 O ATOM 833 CB HIS A 54 0.019 -12.007 -24.515 1.00 0.18 C ATOM 834 CG HIS A 54 0.989 -12.355 -23.424 1.00 0.21 C ATOM 835 ND1 HIS A 54 1.811 -11.445 -22.800 1.00 0.34 N ATOM 836 CD2 HIS A 54 1.246 -13.548 -22.837 1.00 0.25 C ATOM 837 CE1 HIS A 54 2.523 -12.104 -21.873 1.00 0.34 C ATOM 838 NE2 HIS A 54 2.216 -13.382 -21.858 1.00 0.27 N ATOM 0 H HIS A 54 -2.065 -11.259 -25.831 1.00 0.13 H new ATOM 0 HA HIS A 54 -1.436 -13.459 -23.987 1.00 0.15 H new ATOM 0 HB2 HIS A 54 0.321 -12.511 -25.433 1.00 0.18 H new ATOM 0 HB3 HIS A 54 0.070 -10.935 -24.708 1.00 0.18 H new ATOM 0 HD2 HIS A 54 0.770 -14.484 -23.091 1.00 0.25 H new ATOM 0 HE1 HIS A 54 3.253 -11.644 -21.224 1.00 0.34 H new ATOM 0 HE2 HIS A 54 2.609 -14.103 -21.252 1.00 0.27 H new ATOM 846 N MET A 55 -1.756 -12.248 -21.797 1.00 0.16 N ATOM 847 CA MET A 55 -2.242 -11.706 -20.529 1.00 0.17 C ATOM 848 C MET A 55 -1.669 -10.315 -20.237 1.00 0.17 C ATOM 849 O MET A 55 -2.200 -9.581 -19.408 1.00 0.27 O ATOM 850 CB MET A 55 -1.913 -12.708 -19.406 1.00 0.24 C ATOM 851 CG MET A 55 -2.113 -12.189 -17.993 1.00 0.76 C ATOM 852 SD MET A 55 -0.618 -11.432 -17.309 1.00 1.86 S ATOM 853 CE MET A 55 0.472 -12.855 -17.228 1.00 2.43 C ATOM 0 H MET A 55 -1.255 -13.131 -21.701 1.00 0.16 H new ATOM 0 HA MET A 55 -3.322 -11.573 -20.590 1.00 0.17 H new ATOM 0 HB2 MET A 55 -2.532 -13.595 -19.540 1.00 0.24 H new ATOM 0 HB3 MET A 55 -0.876 -13.024 -19.516 1.00 0.24 H new ATOM 0 HG2 MET A 55 -2.920 -11.456 -17.990 1.00 0.76 H new ATOM 0 HG3 MET A 55 -2.426 -13.011 -17.349 1.00 0.76 H new ATOM 0 HE1 MET A 55 1.206 -12.707 -16.435 1.00 2.43 H new ATOM 0 HE2 MET A 55 -0.113 -13.750 -17.018 1.00 2.43 H new ATOM 0 HE3 MET A 55 0.987 -12.974 -18.181 1.00 2.43 H new ATOM 863 N SER A 56 -0.619 -9.938 -20.948 1.00 0.16 N ATOM 864 CA SER A 56 -0.028 -8.616 -20.785 1.00 0.19 C ATOM 865 C SER A 56 -1.030 -7.531 -21.210 1.00 0.17 C ATOM 866 O SER A 56 -1.017 -6.417 -20.680 1.00 0.24 O ATOM 867 CB SER A 56 1.255 -8.508 -21.616 1.00 0.26 C ATOM 868 OG SER A 56 2.074 -7.430 -21.188 1.00 0.91 O ATOM 0 H SER A 56 -0.158 -10.526 -21.643 1.00 0.16 H new ATOM 0 HA SER A 56 0.221 -8.468 -19.734 1.00 0.19 H new ATOM 0 HB2 SER A 56 1.815 -9.440 -21.543 1.00 0.26 H new ATOM 0 HB3 SER A 56 0.997 -8.373 -22.666 1.00 0.26 H new ATOM 0 HG SER A 56 2.883 -7.394 -21.740 1.00 0.91 H new ATOM 874 N GLU A 57 -1.914 -7.871 -22.151 1.00 0.14 N ATOM 875 CA GLU A 57 -2.908 -6.929 -22.656 1.00 0.17 C ATOM 876 C GLU A 57 -4.210 -7.017 -21.855 1.00 0.16 C ATOM 877 O GLU A 57 -5.148 -6.262 -22.098 1.00 0.20 O ATOM 878 CB GLU A 57 -3.200 -7.205 -24.137 1.00 0.22 C ATOM 879 CG GLU A 57 -2.046 -6.887 -25.082 1.00 0.32 C ATOM 880 CD GLU A 57 -0.845 -7.794 -24.891 1.00 1.10 C ATOM 881 OE1 GLU A 57 -0.955 -8.998 -25.195 1.00 1.96 O ATOM 882 OE2 GLU A 57 0.209 -7.300 -24.441 1.00 1.20 O ATOM 0 H GLU A 57 -1.959 -8.796 -22.578 1.00 0.14 H new ATOM 0 HA GLU A 57 -2.499 -5.925 -22.547 1.00 0.17 H new ATOM 0 HB2 GLU A 57 -3.467 -8.256 -24.251 1.00 0.22 H new ATOM 0 HB3 GLU A 57 -4.070 -6.621 -24.437 1.00 0.22 H new ATOM 0 HG2 GLU A 57 -2.395 -6.970 -26.111 1.00 0.32 H new ATOM 0 HG3 GLU A 57 -1.738 -5.852 -24.933 1.00 0.32 H new ATOM 889 N VAL A 58 -4.253 -7.957 -20.917 1.00 0.17 N ATOM 890 CA VAL A 58 -5.429 -8.177 -20.076 1.00 0.17 C ATOM 891 C VAL A 58 -5.724 -6.943 -19.204 1.00 0.20 C ATOM 892 O VAL A 58 -4.820 -6.174 -18.870 1.00 0.27 O ATOM 893 CB VAL A 58 -5.228 -9.451 -19.210 1.00 0.16 C ATOM 894 CG1 VAL A 58 -5.120 -9.128 -17.725 1.00 0.27 C ATOM 895 CG2 VAL A 58 -6.345 -10.453 -19.461 1.00 0.22 C ATOM 0 H VAL A 58 -3.477 -8.588 -20.717 1.00 0.17 H new ATOM 0 HA VAL A 58 -6.297 -8.331 -20.718 1.00 0.17 H new ATOM 0 HB VAL A 58 -4.280 -9.897 -19.512 1.00 0.16 H new ATOM 0 HG11 VAL A 58 -4.980 -10.050 -17.161 1.00 0.27 H new ATOM 0 HG12 VAL A 58 -4.269 -8.468 -17.557 1.00 0.27 H new ATOM 0 HG13 VAL A 58 -6.033 -8.634 -17.393 1.00 0.27 H new ATOM 0 HG21 VAL A 58 -6.185 -11.338 -18.845 1.00 0.22 H new ATOM 0 HG22 VAL A 58 -7.303 -10.001 -19.205 1.00 0.22 H new ATOM 0 HG23 VAL A 58 -6.348 -10.739 -20.513 1.00 0.22 H new ATOM 905 N GLN A 59 -6.999 -6.761 -18.856 1.00 0.20 N ATOM 906 CA GLN A 59 -7.451 -5.600 -18.093 1.00 0.25 C ATOM 907 C GLN A 59 -6.900 -5.619 -16.672 1.00 0.34 C ATOM 908 O GLN A 59 -7.449 -6.294 -15.801 1.00 0.57 O ATOM 909 CB GLN A 59 -8.986 -5.573 -18.074 1.00 0.31 C ATOM 910 CG GLN A 59 -9.598 -4.246 -17.638 1.00 0.41 C ATOM 911 CD GLN A 59 -9.690 -4.066 -16.132 1.00 0.77 C ATOM 912 OE1 GLN A 59 -10.659 -4.496 -15.501 1.00 1.60 O ATOM 913 NE2 GLN A 59 -8.711 -3.387 -15.554 1.00 1.25 N ATOM 0 H GLN A 59 -7.745 -7.414 -19.095 1.00 0.20 H new ATOM 0 HA GLN A 59 -7.075 -4.698 -18.576 1.00 0.25 H new ATOM 0 HB2 GLN A 59 -9.352 -5.815 -19.072 1.00 0.31 H new ATOM 0 HB3 GLN A 59 -9.341 -6.357 -17.405 1.00 0.31 H new ATOM 0 HG2 GLN A 59 -9.005 -3.431 -18.054 1.00 0.41 H new ATOM 0 HG3 GLN A 59 -10.598 -4.163 -18.064 1.00 0.41 H new ATOM 0 HE21 GLN A 59 -7.927 -3.048 -16.112 1.00 1.25 H new ATOM 0 HE22 GLN A 59 -8.741 -3.203 -14.551 1.00 1.25 H new ATOM 922 N GLY A 60 -5.806 -4.895 -16.461 1.00 0.40 N ATOM 923 CA GLY A 60 -5.258 -4.720 -15.130 1.00 0.49 C ATOM 924 C GLY A 60 -4.874 -6.023 -14.456 1.00 0.44 C ATOM 925 O GLY A 60 -3.804 -6.576 -14.711 1.00 0.58 O ATOM 0 H GLY A 60 -5.284 -4.421 -17.198 1.00 0.40 H new ATOM 0 HA2 GLY A 60 -4.379 -4.078 -15.189 1.00 0.49 H new ATOM 0 HA3 GLY A 60 -5.990 -4.202 -14.510 1.00 0.49 H new ATOM 929 N ASN A 61 -5.749 -6.508 -13.591 1.00 0.47 N ATOM 930 CA ASN A 61 -5.491 -7.719 -12.832 1.00 0.52 C ATOM 931 C ASN A 61 -5.964 -8.939 -13.604 1.00 0.52 C ATOM 932 O ASN A 61 -7.022 -8.938 -14.233 1.00 0.49 O ATOM 933 CB ASN A 61 -6.191 -7.640 -11.476 1.00 0.63 C ATOM 934 CG ASN A 61 -5.734 -8.698 -10.480 1.00 1.27 C ATOM 935 OD1 ASN A 61 -5.386 -9.819 -10.844 1.00 2.20 O ATOM 936 ND2 ASN A 61 -5.744 -8.348 -9.202 1.00 1.71 N ATOM 0 H ASN A 61 -6.652 -6.076 -13.396 1.00 0.47 H new ATOM 0 HA ASN A 61 -4.417 -7.813 -12.669 1.00 0.52 H new ATOM 0 HB2 ASN A 61 -6.019 -6.653 -11.047 1.00 0.63 H new ATOM 0 HB3 ASN A 61 -7.266 -7.738 -11.627 1.00 0.63 H new ATOM 0 HD21 ASN A 61 -5.457 -9.017 -8.488 1.00 1.71 H new ATOM 0 HD22 ASN A 61 -6.038 -7.409 -8.933 1.00 1.71 H new ATOM 943 N THR A 62 -5.175 -9.985 -13.530 1.00 0.62 N ATOM 944 CA THR A 62 -5.410 -11.190 -14.288 1.00 0.71 C ATOM 945 C THR A 62 -6.551 -12.003 -13.691 1.00 0.70 C ATOM 946 O THR A 62 -7.154 -12.837 -14.364 1.00 0.82 O ATOM 947 CB THR A 62 -4.118 -12.015 -14.319 1.00 0.86 C ATOM 948 OG1 THR A 62 -3.846 -12.555 -13.021 1.00 0.87 O ATOM 949 CG2 THR A 62 -2.967 -11.119 -14.731 1.00 0.95 C ATOM 0 H THR A 62 -4.346 -10.023 -12.937 1.00 0.62 H new ATOM 0 HA THR A 62 -5.700 -10.922 -15.304 1.00 0.71 H new ATOM 0 HB THR A 62 -4.234 -12.832 -15.031 1.00 0.86 H new ATOM 0 HG1 THR A 62 -3.020 -13.081 -13.052 1.00 0.87 H new ATOM 0 HG21 THR A 62 -2.045 -11.699 -14.755 1.00 0.95 H new ATOM 0 HG22 THR A 62 -3.163 -10.707 -15.721 1.00 0.95 H new ATOM 0 HG23 THR A 62 -2.865 -10.305 -14.013 1.00 0.95 H new ATOM 957 N VAL A 63 -6.855 -11.740 -12.425 1.00 0.63 N ATOM 958 CA VAL A 63 -7.939 -12.422 -11.736 1.00 0.71 C ATOM 959 C VAL A 63 -9.242 -11.637 -11.918 1.00 0.64 C ATOM 960 O VAL A 63 -10.266 -11.940 -11.307 1.00 0.74 O ATOM 961 CB VAL A 63 -7.627 -12.590 -10.229 1.00 0.84 C ATOM 962 CG1 VAL A 63 -8.579 -13.586 -9.581 1.00 1.39 C ATOM 963 CG2 VAL A 63 -6.184 -13.019 -10.020 1.00 1.31 C ATOM 0 H VAL A 63 -6.361 -11.054 -11.854 1.00 0.63 H new ATOM 0 HA VAL A 63 -8.049 -13.416 -12.170 1.00 0.71 H new ATOM 0 HB VAL A 63 -7.770 -11.622 -9.749 1.00 0.84 H new ATOM 0 HG11 VAL A 63 -8.337 -13.685 -8.523 1.00 1.39 H new ATOM 0 HG12 VAL A 63 -9.604 -13.232 -9.687 1.00 1.39 H new ATOM 0 HG13 VAL A 63 -8.478 -14.556 -10.068 1.00 1.39 H new ATOM 0 HG21 VAL A 63 -5.988 -13.131 -8.954 1.00 1.31 H new ATOM 0 HG22 VAL A 63 -6.011 -13.971 -10.522 1.00 1.31 H new ATOM 0 HG23 VAL A 63 -5.516 -12.264 -10.434 1.00 1.31 H new ATOM 973 N ALA A 64 -9.191 -10.612 -12.764 1.00 0.55 N ATOM 974 CA ALA A 64 -10.372 -9.807 -13.065 1.00 0.53 C ATOM 975 C ALA A 64 -10.949 -10.183 -14.418 1.00 0.44 C ATOM 976 O ALA A 64 -12.088 -9.836 -14.740 1.00 0.56 O ATOM 977 CB ALA A 64 -10.044 -8.320 -13.018 1.00 0.57 C ATOM 0 H ALA A 64 -8.345 -10.319 -13.253 1.00 0.55 H new ATOM 0 HA ALA A 64 -11.123 -10.014 -12.302 1.00 0.53 H new ATOM 0 HB1 ALA A 64 -10.940 -7.742 -13.246 1.00 0.57 H new ATOM 0 HB2 ALA A 64 -9.686 -8.058 -12.022 1.00 0.57 H new ATOM 0 HB3 ALA A 64 -9.271 -8.095 -13.752 1.00 0.57 H new ATOM 983 N LEU A 65 -10.174 -10.917 -15.194 1.00 0.35 N ATOM 984 CA LEU A 65 -10.576 -11.303 -16.535 1.00 0.25 C ATOM 985 C LEU A 65 -10.574 -12.824 -16.642 1.00 0.22 C ATOM 986 O LEU A 65 -9.555 -13.466 -16.385 1.00 0.26 O ATOM 987 CB LEU A 65 -9.594 -10.678 -17.530 1.00 0.23 C ATOM 988 CG LEU A 65 -10.180 -10.252 -18.879 1.00 0.25 C ATOM 989 CD1 LEU A 65 -9.554 -8.952 -19.336 1.00 1.51 C ATOM 990 CD2 LEU A 65 -9.975 -11.343 -19.915 1.00 1.21 C ATOM 0 H LEU A 65 -9.255 -11.261 -14.916 1.00 0.35 H new ATOM 0 HA LEU A 65 -11.582 -10.949 -16.758 1.00 0.25 H new ATOM 0 HB2 LEU A 65 -9.141 -9.804 -17.062 1.00 0.23 H new ATOM 0 HB3 LEU A 65 -8.792 -11.392 -17.715 1.00 0.23 H new ATOM 0 HG LEU A 65 -11.252 -10.093 -18.760 1.00 0.25 H new ATOM 0 HD11 LEU A 65 -9.980 -8.661 -20.296 1.00 1.51 H new ATOM 0 HD12 LEU A 65 -9.753 -8.173 -18.600 1.00 1.51 H new ATOM 0 HD13 LEU A 65 -8.477 -9.084 -19.442 1.00 1.51 H new ATOM 0 HD21 LEU A 65 -10.397 -11.024 -20.868 1.00 1.21 H new ATOM 0 HD22 LEU A 65 -8.909 -11.534 -20.036 1.00 1.21 H new ATOM 0 HD23 LEU A 65 -10.472 -12.256 -19.585 1.00 1.21 H new ATOM 1002 N HIS A 66 -11.709 -13.401 -17.016 1.00 0.20 N ATOM 1003 CA HIS A 66 -11.855 -14.848 -17.029 1.00 0.21 C ATOM 1004 C HIS A 66 -12.539 -15.328 -18.305 1.00 0.15 C ATOM 1005 O HIS A 66 -13.220 -14.557 -18.980 1.00 0.15 O ATOM 1006 CB HIS A 66 -12.670 -15.307 -15.814 1.00 0.31 C ATOM 1007 CG HIS A 66 -11.966 -15.128 -14.502 1.00 0.53 C ATOM 1008 ND1 HIS A 66 -10.649 -15.476 -14.281 1.00 0.75 N ATOM 1009 CD2 HIS A 66 -12.419 -14.624 -13.325 1.00 0.76 C ATOM 1010 CE1 HIS A 66 -10.354 -15.192 -13.010 1.00 0.90 C ATOM 1011 NE2 HIS A 66 -11.392 -14.670 -12.385 1.00 0.91 N ATOM 0 H HIS A 66 -12.539 -12.889 -17.314 1.00 0.20 H new ATOM 0 HA HIS A 66 -10.855 -15.281 -16.989 1.00 0.21 H new ATOM 0 HB2 HIS A 66 -13.608 -14.753 -15.789 1.00 0.31 H new ATOM 0 HB3 HIS A 66 -12.924 -16.360 -15.937 1.00 0.31 H new ATOM 0 HD2 HIS A 66 -13.416 -14.248 -13.146 1.00 0.76 H new ATOM 0 HE1 HIS A 66 -9.391 -15.367 -12.553 1.00 0.90 H new ATOM 0 HE2 HIS A 66 -11.434 -14.363 -11.413 1.00 0.91 H new ATOM 1019 N PRO A 67 -12.360 -16.614 -18.659 1.00 0.15 N ATOM 1020 CA PRO A 67 -13.041 -17.206 -19.810 1.00 0.14 C ATOM 1021 C PRO A 67 -14.556 -17.253 -19.615 1.00 0.15 C ATOM 1022 O PRO A 67 -15.051 -17.718 -18.587 1.00 0.28 O ATOM 1023 CB PRO A 67 -12.459 -18.617 -19.899 1.00 0.19 C ATOM 1024 CG PRO A 67 -11.921 -18.905 -18.539 1.00 0.20 C ATOM 1025 CD PRO A 67 -11.478 -17.584 -17.979 1.00 0.19 C ATOM 0 HA PRO A 67 -12.887 -16.624 -20.719 1.00 0.14 H new ATOM 0 HB2 PRO A 67 -13.223 -19.341 -20.181 1.00 0.19 H new ATOM 0 HB3 PRO A 67 -11.674 -18.672 -20.653 1.00 0.19 H new ATOM 0 HG2 PRO A 67 -12.683 -19.361 -17.907 1.00 0.20 H new ATOM 0 HG3 PRO A 67 -11.088 -19.606 -18.590 1.00 0.20 H new ATOM 0 HD2 PRO A 67 -11.597 -17.546 -16.896 1.00 0.19 H new ATOM 0 HD3 PRO A 67 -10.427 -17.389 -18.191 1.00 0.19 H new ATOM 1033 N GLY A 68 -15.286 -16.768 -20.607 1.00 0.15 N ATOM 1034 CA GLY A 68 -16.727 -16.692 -20.502 1.00 0.18 C ATOM 1035 C GLY A 68 -17.196 -15.284 -20.219 1.00 0.18 C ATOM 1036 O GLY A 68 -18.375 -14.973 -20.387 1.00 0.22 O ATOM 0 H GLY A 68 -14.903 -16.424 -21.488 1.00 0.15 H new ATOM 0 HA2 GLY A 68 -17.178 -17.046 -21.429 1.00 0.18 H new ATOM 0 HA3 GLY A 68 -17.069 -17.355 -19.708 1.00 0.18 H new ATOM 1040 N ASP A 69 -16.274 -14.431 -19.788 1.00 0.18 N ATOM 1041 CA ASP A 69 -16.579 -13.023 -19.584 1.00 0.20 C ATOM 1042 C ASP A 69 -16.571 -12.295 -20.914 1.00 0.13 C ATOM 1043 O ASP A 69 -15.812 -12.653 -21.821 1.00 0.12 O ATOM 1044 CB ASP A 69 -15.571 -12.346 -18.647 1.00 0.27 C ATOM 1045 CG ASP A 69 -15.867 -12.547 -17.173 1.00 0.68 C ATOM 1046 OD1 ASP A 69 -17.051 -12.698 -16.811 1.00 1.28 O ATOM 1047 OD2 ASP A 69 -14.913 -12.494 -16.364 1.00 1.09 O ATOM 0 H ASP A 69 -15.311 -14.691 -19.574 1.00 0.18 H new ATOM 0 HA ASP A 69 -17.566 -12.971 -19.124 1.00 0.20 H new ATOM 0 HB2 ASP A 69 -14.574 -12.731 -18.863 1.00 0.27 H new ATOM 0 HB3 ASP A 69 -15.553 -11.277 -18.861 1.00 0.27 H new ATOM 1052 N THR A 70 -17.415 -11.288 -21.036 1.00 0.13 N ATOM 1053 CA THR A 70 -17.391 -10.432 -22.203 1.00 0.11 C ATOM 1054 C THR A 70 -16.210 -9.481 -22.087 1.00 0.10 C ATOM 1055 O THR A 70 -15.924 -8.966 -21.004 1.00 0.14 O ATOM 1056 CB THR A 70 -18.694 -9.616 -22.340 1.00 0.14 C ATOM 1057 OG1 THR A 70 -19.825 -10.458 -22.079 1.00 0.17 O ATOM 1058 CG2 THR A 70 -18.821 -9.029 -23.739 1.00 0.15 C ATOM 0 H THR A 70 -18.123 -11.045 -20.343 1.00 0.13 H new ATOM 0 HA THR A 70 -17.297 -11.060 -23.089 1.00 0.11 H new ATOM 0 HB THR A 70 -18.663 -8.801 -21.617 1.00 0.14 H new ATOM 0 HG1 THR A 70 -20.649 -9.935 -22.166 1.00 0.17 H new ATOM 0 HG21 THR A 70 -19.747 -8.458 -23.811 1.00 0.15 H new ATOM 0 HG22 THR A 70 -17.974 -8.372 -23.936 1.00 0.15 H new ATOM 0 HG23 THR A 70 -18.834 -9.835 -24.472 1.00 0.15 H new ATOM 1066 N VAL A 71 -15.496 -9.273 -23.173 1.00 0.10 N ATOM 1067 CA VAL A 71 -14.360 -8.374 -23.157 1.00 0.12 C ATOM 1068 C VAL A 71 -14.322 -7.545 -24.423 1.00 0.12 C ATOM 1069 O VAL A 71 -14.935 -7.906 -25.432 1.00 0.16 O ATOM 1070 CB VAL A 71 -13.024 -9.131 -23.016 1.00 0.17 C ATOM 1071 CG1 VAL A 71 -12.925 -9.814 -21.662 1.00 0.31 C ATOM 1072 CG2 VAL A 71 -12.861 -10.136 -24.143 1.00 0.24 C ATOM 0 H VAL A 71 -15.680 -9.712 -24.075 1.00 0.10 H new ATOM 0 HA VAL A 71 -14.483 -7.727 -22.289 1.00 0.12 H new ATOM 0 HB VAL A 71 -12.213 -8.406 -23.083 1.00 0.17 H new ATOM 0 HG11 VAL A 71 -11.973 -10.341 -21.589 1.00 0.31 H new ATOM 0 HG12 VAL A 71 -12.988 -9.066 -20.872 1.00 0.31 H new ATOM 0 HG13 VAL A 71 -13.743 -10.526 -21.553 1.00 0.31 H new ATOM 0 HG21 VAL A 71 -11.913 -10.661 -24.028 1.00 0.24 H new ATOM 0 HG22 VAL A 71 -13.680 -10.855 -24.111 1.00 0.24 H new ATOM 0 HG23 VAL A 71 -12.873 -9.615 -25.100 1.00 0.24 H new ATOM 1082 N GLU A 72 -13.628 -6.428 -24.362 1.00 0.14 N ATOM 1083 CA GLU A 72 -13.382 -5.650 -25.548 1.00 0.14 C ATOM 1084 C GLU A 72 -11.895 -5.641 -25.819 1.00 0.14 C ATOM 1085 O GLU A 72 -11.083 -5.661 -24.896 1.00 0.24 O ATOM 1086 CB GLU A 72 -13.942 -4.230 -25.436 1.00 0.21 C ATOM 1087 CG GLU A 72 -13.059 -3.231 -24.741 1.00 0.33 C ATOM 1088 CD GLU A 72 -13.591 -1.824 -24.878 1.00 0.42 C ATOM 1089 OE1 GLU A 72 -12.781 -0.876 -24.897 1.00 0.59 O ATOM 1090 OE2 GLU A 72 -14.825 -1.661 -24.999 1.00 0.78 O ATOM 0 H GLU A 72 -13.228 -6.044 -23.506 1.00 0.14 H new ATOM 0 HA GLU A 72 -13.904 -6.110 -26.387 1.00 0.14 H new ATOM 0 HB2 GLU A 72 -14.153 -3.863 -26.440 1.00 0.21 H new ATOM 0 HB3 GLU A 72 -14.894 -4.276 -24.906 1.00 0.21 H new ATOM 0 HG2 GLU A 72 -12.979 -3.489 -23.685 1.00 0.33 H new ATOM 0 HG3 GLU A 72 -12.053 -3.282 -25.158 1.00 0.33 H new ATOM 1097 N PHE A 73 -11.553 -5.646 -27.080 1.00 0.09 N ATOM 1098 CA PHE A 73 -10.182 -5.797 -27.506 1.00 0.08 C ATOM 1099 C PHE A 73 -9.966 -5.026 -28.789 1.00 0.07 C ATOM 1100 O PHE A 73 -10.890 -4.415 -29.311 1.00 0.07 O ATOM 1101 CB PHE A 73 -9.855 -7.283 -27.707 1.00 0.08 C ATOM 1102 CG PHE A 73 -10.849 -8.021 -28.564 1.00 0.08 C ATOM 1103 CD1 PHE A 73 -10.593 -8.263 -29.903 1.00 0.09 C ATOM 1104 CD2 PHE A 73 -12.038 -8.481 -28.022 1.00 0.11 C ATOM 1105 CE1 PHE A 73 -11.503 -8.949 -30.681 1.00 0.10 C ATOM 1106 CE2 PHE A 73 -12.948 -9.167 -28.794 1.00 0.11 C ATOM 1107 CZ PHE A 73 -12.682 -9.400 -30.128 1.00 0.10 C ATOM 0 H PHE A 73 -12.219 -5.545 -27.846 1.00 0.09 H new ATOM 0 HA PHE A 73 -9.516 -5.400 -26.739 1.00 0.08 H new ATOM 0 HB2 PHE A 73 -8.867 -7.369 -28.160 1.00 0.08 H new ATOM 0 HB3 PHE A 73 -9.802 -7.767 -26.732 1.00 0.08 H new ATOM 0 HD1 PHE A 73 -9.672 -7.911 -30.343 1.00 0.09 H new ATOM 0 HD2 PHE A 73 -12.254 -8.299 -26.980 1.00 0.11 H new ATOM 0 HE1 PHE A 73 -11.291 -9.133 -31.724 1.00 0.10 H new ATOM 0 HE2 PHE A 73 -13.869 -9.522 -28.356 1.00 0.11 H new ATOM 0 HZ PHE A 73 -13.396 -9.934 -30.737 1.00 0.10 H new ATOM 1117 N SER A 74 -8.758 -5.047 -29.293 1.00 0.09 N ATOM 1118 CA SER A 74 -8.451 -4.350 -30.519 1.00 0.10 C ATOM 1119 C SER A 74 -7.828 -5.323 -31.489 1.00 0.12 C ATOM 1120 O SER A 74 -6.859 -6.012 -31.159 1.00 0.19 O ATOM 1121 CB SER A 74 -7.515 -3.177 -30.242 1.00 0.15 C ATOM 1122 OG SER A 74 -8.042 -2.337 -29.224 1.00 0.86 O ATOM 0 H SER A 74 -7.969 -5.539 -28.874 1.00 0.09 H new ATOM 0 HA SER A 74 -9.365 -3.946 -30.955 1.00 0.10 H new ATOM 0 HB2 SER A 74 -6.537 -3.551 -29.940 1.00 0.15 H new ATOM 0 HB3 SER A 74 -7.368 -2.600 -31.155 1.00 0.15 H new ATOM 0 HG SER A 74 -7.425 -1.593 -29.062 1.00 0.86 H new ATOM 1128 N VAL A 75 -8.399 -5.402 -32.668 1.00 0.17 N ATOM 1129 CA VAL A 75 -8.011 -6.415 -33.620 1.00 0.19 C ATOM 1130 C VAL A 75 -6.875 -5.920 -34.523 1.00 0.20 C ATOM 1131 O VAL A 75 -7.082 -5.199 -35.494 1.00 0.27 O ATOM 1132 CB VAL A 75 -9.243 -6.879 -34.432 1.00 0.27 C ATOM 1133 CG1 VAL A 75 -9.890 -5.730 -35.202 1.00 0.33 C ATOM 1134 CG2 VAL A 75 -8.885 -8.029 -35.356 1.00 0.36 C ATOM 0 H VAL A 75 -9.136 -4.775 -32.991 1.00 0.17 H new ATOM 0 HA VAL A 75 -7.624 -7.279 -33.079 1.00 0.19 H new ATOM 0 HB VAL A 75 -9.983 -7.238 -33.717 1.00 0.27 H new ATOM 0 HG11 VAL A 75 -10.751 -6.103 -35.757 1.00 0.33 H new ATOM 0 HG12 VAL A 75 -10.216 -4.961 -34.502 1.00 0.33 H new ATOM 0 HG13 VAL A 75 -9.166 -5.305 -35.897 1.00 0.33 H new ATOM 0 HG21 VAL A 75 -9.769 -8.336 -35.915 1.00 0.36 H new ATOM 0 HG22 VAL A 75 -8.109 -7.709 -36.051 1.00 0.36 H new ATOM 0 HG23 VAL A 75 -8.519 -8.869 -34.766 1.00 0.36 H new ATOM 1144 N VAL A 76 -5.659 -6.312 -34.178 1.00 0.19 N ATOM 1145 CA VAL A 76 -4.491 -5.898 -34.925 1.00 0.26 C ATOM 1146 C VAL A 76 -3.962 -7.071 -35.741 1.00 0.25 C ATOM 1147 O VAL A 76 -3.826 -8.186 -35.232 1.00 0.25 O ATOM 1148 CB VAL A 76 -3.387 -5.337 -33.987 1.00 0.33 C ATOM 1149 CG1 VAL A 76 -2.947 -6.382 -32.967 1.00 0.32 C ATOM 1150 CG2 VAL A 76 -2.199 -4.822 -34.792 1.00 0.42 C ATOM 0 H VAL A 76 -5.459 -6.918 -33.382 1.00 0.19 H new ATOM 0 HA VAL A 76 -4.781 -5.094 -35.601 1.00 0.26 H new ATOM 0 HB VAL A 76 -3.811 -4.496 -33.438 1.00 0.33 H new ATOM 0 HG11 VAL A 76 -2.174 -5.960 -32.325 1.00 0.32 H new ATOM 0 HG12 VAL A 76 -3.801 -6.679 -32.359 1.00 0.32 H new ATOM 0 HG13 VAL A 76 -2.551 -7.254 -33.487 1.00 0.32 H new ATOM 0 HG21 VAL A 76 -1.440 -4.434 -34.113 1.00 0.42 H new ATOM 0 HG22 VAL A 76 -1.778 -5.637 -35.380 1.00 0.42 H new ATOM 0 HG23 VAL A 76 -2.529 -4.026 -35.459 1.00 0.42 H new ATOM 1160 N THR A 77 -3.713 -6.823 -37.011 1.00 0.34 N ATOM 1161 CA THR A 77 -3.264 -7.860 -37.926 1.00 0.38 C ATOM 1162 C THR A 77 -1.778 -8.168 -37.743 1.00 0.44 C ATOM 1163 O THR A 77 -0.949 -7.261 -37.661 1.00 0.56 O ATOM 1164 CB THR A 77 -3.524 -7.426 -39.379 1.00 0.57 C ATOM 1165 OG1 THR A 77 -4.887 -7.004 -39.506 1.00 0.67 O ATOM 1166 CG2 THR A 77 -3.246 -8.555 -40.362 1.00 0.62 C ATOM 0 H THR A 77 -3.815 -5.903 -37.439 1.00 0.34 H new ATOM 0 HA THR A 77 -3.828 -8.766 -37.703 1.00 0.38 H new ATOM 0 HB THR A 77 -2.848 -6.604 -39.616 1.00 0.57 H new ATOM 0 HG1 THR A 77 -5.058 -6.725 -40.430 1.00 0.67 H new ATOM 0 HG21 THR A 77 -3.441 -8.210 -41.377 1.00 0.62 H new ATOM 0 HG22 THR A 77 -2.204 -8.863 -40.277 1.00 0.62 H new ATOM 0 HG23 THR A 77 -3.894 -9.402 -40.136 1.00 0.62 H new ATOM 1174 N ASN A 78 -1.453 -9.454 -37.655 1.00 0.44 N ATOM 1175 CA ASN A 78 -0.062 -9.886 -37.609 1.00 0.57 C ATOM 1176 C ASN A 78 0.539 -9.812 -38.998 1.00 0.66 C ATOM 1177 O ASN A 78 0.046 -10.455 -39.923 1.00 0.70 O ATOM 1178 CB ASN A 78 0.057 -11.318 -37.075 1.00 0.64 C ATOM 1179 CG ASN A 78 -0.036 -11.413 -35.562 1.00 1.10 C ATOM 1180 OD1 ASN A 78 0.539 -12.315 -34.950 1.00 1.82 O ATOM 1181 ND2 ASN A 78 -0.746 -10.482 -34.943 1.00 1.54 N ATOM 0 H ASN A 78 -2.133 -10.213 -37.614 1.00 0.44 H new ATOM 0 HA ASN A 78 0.479 -9.223 -36.934 1.00 0.57 H new ATOM 0 HB2 ASN A 78 -0.730 -11.928 -37.518 1.00 0.64 H new ATOM 0 HB3 ASN A 78 1.008 -11.740 -37.399 1.00 0.64 H new ATOM 0 HD21 ASN A 78 -0.830 -10.497 -33.927 1.00 1.54 H new ATOM 0 HD22 ASN A 78 -1.208 -9.750 -35.483 1.00 1.54 H new ATOM 1188 N GLN A 79 1.613 -9.052 -39.140 1.00 0.79 N ATOM 1189 CA GLN A 79 2.210 -8.801 -40.452 1.00 0.91 C ATOM 1190 C GLN A 79 2.878 -10.045 -41.036 1.00 0.94 C ATOM 1191 O GLN A 79 3.352 -10.029 -42.174 1.00 1.06 O ATOM 1192 CB GLN A 79 3.220 -7.660 -40.367 1.00 1.09 C ATOM 1193 CG GLN A 79 4.264 -7.831 -39.278 1.00 1.18 C ATOM 1194 CD GLN A 79 5.238 -6.671 -39.240 1.00 1.43 C ATOM 1195 OE1 GLN A 79 5.016 -5.684 -38.535 1.00 1.95 O ATOM 1196 NE2 GLN A 79 6.313 -6.776 -40.002 1.00 1.90 N ATOM 0 H GLN A 79 2.093 -8.595 -38.365 1.00 0.79 H new ATOM 0 HA GLN A 79 1.398 -8.521 -41.123 1.00 0.91 H new ATOM 0 HB2 GLN A 79 3.726 -7.566 -41.328 1.00 1.09 H new ATOM 0 HB3 GLN A 79 2.683 -6.727 -40.196 1.00 1.09 H new ATOM 0 HG2 GLN A 79 3.768 -7.920 -38.311 1.00 1.18 H new ATOM 0 HG3 GLN A 79 4.811 -8.759 -39.443 1.00 1.18 H new ATOM 0 HE21 GLN A 79 6.456 -7.611 -40.569 1.00 1.90 H new ATOM 0 HE22 GLN A 79 6.999 -6.022 -40.022 1.00 1.90 H new ATOM 1205 N ARG A 80 2.922 -11.118 -40.261 1.00 0.93 N ATOM 1206 CA ARG A 80 3.527 -12.359 -40.720 1.00 1.03 C ATOM 1207 C ARG A 80 2.484 -13.213 -41.445 1.00 1.02 C ATOM 1208 O ARG A 80 2.623 -13.490 -42.635 1.00 1.21 O ATOM 1209 CB ARG A 80 4.117 -13.108 -39.512 1.00 1.18 C ATOM 1210 CG ARG A 80 5.013 -14.317 -39.830 1.00 1.35 C ATOM 1211 CD ARG A 80 4.254 -15.447 -40.512 1.00 1.67 C ATOM 1212 NE ARG A 80 4.844 -16.759 -40.268 1.00 2.41 N ATOM 1213 CZ ARG A 80 4.608 -17.833 -41.024 1.00 3.02 C ATOM 1214 NH1 ARG A 80 3.871 -17.743 -42.123 1.00 3.01 N ATOM 1215 NH2 ARG A 80 5.118 -18.998 -40.681 1.00 3.99 N ATOM 0 H ARG A 80 2.547 -11.155 -39.313 1.00 0.93 H new ATOM 0 HA ARG A 80 4.330 -12.143 -41.425 1.00 1.03 H new ATOM 0 HB2 ARG A 80 4.696 -12.399 -38.920 1.00 1.18 H new ATOM 0 HB3 ARG A 80 3.293 -13.449 -38.885 1.00 1.18 H new ATOM 0 HG2 ARG A 80 5.834 -13.997 -40.472 1.00 1.35 H new ATOM 0 HG3 ARG A 80 5.457 -14.688 -38.906 1.00 1.35 H new ATOM 0 HD2 ARG A 80 3.222 -15.448 -40.161 1.00 1.67 H new ATOM 0 HD3 ARG A 80 4.225 -15.262 -41.586 1.00 1.67 H new ATOM 0 HE ARG A 80 5.474 -16.861 -39.472 1.00 2.41 H new ATOM 0 HH11 ARG A 80 3.476 -16.844 -42.400 1.00 3.01 H new ATOM 0 HH12 ARG A 80 3.699 -18.573 -42.691 1.00 3.01 H new ATOM 0 HH21 ARG A 80 5.691 -19.076 -39.841 1.00 3.99 H new ATOM 0 HH22 ARG A 80 4.940 -19.822 -41.256 1.00 3.99 H new ATOM 1229 N ASN A 81 1.427 -13.594 -40.733 1.00 0.91 N ATOM 1230 CA ASN A 81 0.437 -14.530 -41.272 1.00 1.01 C ATOM 1231 C ASN A 81 -0.758 -13.803 -41.854 1.00 0.87 C ATOM 1232 O ASN A 81 -1.393 -14.284 -42.789 1.00 1.04 O ATOM 1233 CB ASN A 81 -0.066 -15.477 -40.178 1.00 1.16 C ATOM 1234 CG ASN A 81 0.993 -16.434 -39.684 1.00 1.53 C ATOM 1235 OD1 ASN A 81 1.719 -16.131 -38.738 1.00 1.95 O ATOM 1236 ND2 ASN A 81 1.072 -17.602 -40.297 1.00 2.21 N ATOM 0 H ASN A 81 1.232 -13.272 -39.785 1.00 0.91 H new ATOM 0 HA ASN A 81 0.935 -15.095 -42.060 1.00 1.01 H new ATOM 0 HB2 ASN A 81 -0.434 -14.888 -39.338 1.00 1.16 H new ATOM 0 HB3 ASN A 81 -0.912 -16.048 -40.562 1.00 1.16 H new ATOM 0 HD21 ASN A 81 1.755 -18.294 -39.989 1.00 2.21 H new ATOM 0 HD22 ASN A 81 0.450 -17.811 -41.078 1.00 2.21 H new ATOM 1243 N GLY A 82 -1.067 -12.648 -41.294 1.00 0.68 N ATOM 1244 CA GLY A 82 -2.293 -11.969 -41.641 1.00 0.69 C ATOM 1245 C GLY A 82 -3.390 -12.272 -40.642 1.00 0.52 C ATOM 1246 O GLY A 82 -4.493 -11.745 -40.738 1.00 0.58 O ATOM 0 H GLY A 82 -0.490 -12.167 -40.604 1.00 0.68 H new ATOM 0 HA2 GLY A 82 -2.118 -10.894 -41.678 1.00 0.69 H new ATOM 0 HA3 GLY A 82 -2.611 -12.274 -42.638 1.00 0.69 H new ATOM 1250 N LYS A 83 -3.075 -13.139 -39.678 1.00 0.45 N ATOM 1251 CA LYS A 83 -3.996 -13.445 -38.595 1.00 0.39 C ATOM 1252 C LYS A 83 -3.948 -12.331 -37.565 1.00 0.35 C ATOM 1253 O LYS A 83 -2.902 -11.734 -37.333 1.00 0.49 O ATOM 1254 CB LYS A 83 -3.664 -14.805 -37.955 1.00 0.53 C ATOM 1255 CG LYS A 83 -2.321 -14.856 -37.237 1.00 0.64 C ATOM 1256 CD LYS A 83 -1.955 -16.270 -36.820 1.00 1.01 C ATOM 1257 CE LYS A 83 -0.574 -16.328 -36.185 1.00 1.61 C ATOM 1258 NZ LYS A 83 -0.182 -17.719 -35.833 1.00 2.42 N ATOM 0 H LYS A 83 -2.187 -13.639 -39.630 1.00 0.45 H new ATOM 0 HA LYS A 83 -5.007 -13.515 -38.996 1.00 0.39 H new ATOM 0 HB2 LYS A 83 -4.451 -15.060 -37.245 1.00 0.53 H new ATOM 0 HB3 LYS A 83 -3.676 -15.570 -38.731 1.00 0.53 H new ATOM 0 HG2 LYS A 83 -1.545 -14.458 -37.890 1.00 0.64 H new ATOM 0 HG3 LYS A 83 -2.356 -14.215 -36.356 1.00 0.64 H new ATOM 0 HD2 LYS A 83 -2.696 -16.645 -36.114 1.00 1.01 H new ATOM 0 HD3 LYS A 83 -1.983 -16.925 -37.691 1.00 1.01 H new ATOM 0 HE2 LYS A 83 0.160 -15.907 -36.873 1.00 1.61 H new ATOM 0 HE3 LYS A 83 -0.561 -15.709 -35.288 1.00 1.61 H new ATOM 0 HZ1 LYS A 83 0.765 -17.715 -35.403 1.00 2.42 H new ATOM 0 HZ2 LYS A 83 -0.867 -18.112 -35.157 1.00 2.42 H new ATOM 0 HZ3 LYS A 83 -0.169 -18.304 -36.693 1.00 2.42 H new ATOM 1272 N SER A 84 -5.078 -12.032 -36.965 1.00 0.31 N ATOM 1273 CA SER A 84 -5.164 -10.911 -36.054 1.00 0.25 C ATOM 1274 C SER A 84 -4.840 -11.317 -34.621 1.00 0.24 C ATOM 1275 O SER A 84 -4.573 -12.485 -34.329 1.00 0.30 O ATOM 1276 CB SER A 84 -6.560 -10.313 -36.123 1.00 0.27 C ATOM 1277 OG SER A 84 -6.955 -10.103 -37.467 1.00 1.08 O ATOM 0 H SER A 84 -5.949 -12.548 -37.090 1.00 0.31 H new ATOM 0 HA SER A 84 -4.425 -10.170 -36.357 1.00 0.25 H new ATOM 0 HB2 SER A 84 -7.270 -10.978 -35.631 1.00 0.27 H new ATOM 0 HB3 SER A 84 -6.582 -9.367 -35.581 1.00 0.27 H new ATOM 0 HG SER A 84 -7.857 -9.719 -37.487 1.00 1.08 H new ATOM 1283 N SER A 85 -4.851 -10.326 -33.743 1.00 0.20 N ATOM 1284 CA SER A 85 -4.647 -10.529 -32.318 1.00 0.20 C ATOM 1285 C SER A 85 -5.429 -9.477 -31.542 1.00 0.18 C ATOM 1286 O SER A 85 -5.706 -8.402 -32.069 1.00 0.26 O ATOM 1287 CB SER A 85 -3.158 -10.438 -31.967 1.00 0.25 C ATOM 1288 OG SER A 85 -2.401 -11.370 -32.716 1.00 0.87 O ATOM 0 H SER A 85 -5.003 -9.351 -34.002 1.00 0.20 H new ATOM 0 HA SER A 85 -5.002 -11.523 -32.048 1.00 0.20 H new ATOM 0 HB2 SER A 85 -2.796 -9.429 -32.163 1.00 0.25 H new ATOM 0 HB3 SER A 85 -3.020 -10.625 -30.902 1.00 0.25 H new ATOM 0 HG SER A 85 -2.260 -12.180 -32.183 1.00 0.87 H new ATOM 1294 N ALA A 86 -5.802 -9.793 -30.315 1.00 0.14 N ATOM 1295 CA ALA A 86 -6.498 -8.859 -29.458 1.00 0.12 C ATOM 1296 C ALA A 86 -5.504 -8.120 -28.580 1.00 0.13 C ATOM 1297 O ALA A 86 -4.746 -8.731 -27.830 1.00 0.17 O ATOM 1298 CB ALA A 86 -7.517 -9.599 -28.598 1.00 0.13 C ATOM 0 H ALA A 86 -5.630 -10.703 -29.888 1.00 0.14 H new ATOM 0 HA ALA A 86 -7.025 -8.133 -30.077 1.00 0.12 H new ATOM 0 HB1 ALA A 86 -8.036 -8.888 -27.956 1.00 0.13 H new ATOM 0 HB2 ALA A 86 -8.239 -10.102 -29.241 1.00 0.13 H new ATOM 0 HB3 ALA A 86 -7.005 -10.338 -27.981 1.00 0.13 H new ATOM 1304 N CYS A 87 -5.505 -6.810 -28.687 1.00 0.14 N ATOM 1305 CA CYS A 87 -4.681 -5.980 -27.832 1.00 0.17 C ATOM 1306 C CYS A 87 -5.592 -5.103 -27.008 1.00 0.17 C ATOM 1307 O CYS A 87 -6.735 -4.877 -27.402 1.00 0.21 O ATOM 1308 CB CYS A 87 -3.757 -5.096 -28.665 1.00 0.22 C ATOM 1309 SG CYS A 87 -2.180 -4.704 -27.873 1.00 0.68 S ATOM 0 H CYS A 87 -6.070 -6.293 -29.361 1.00 0.14 H new ATOM 0 HA CYS A 87 -4.068 -6.616 -27.193 1.00 0.17 H new ATOM 0 HB2 CYS A 87 -3.559 -5.593 -29.615 1.00 0.22 H new ATOM 0 HB3 CYS A 87 -4.275 -4.165 -28.894 1.00 0.22 H new ATOM 0 HG CYS A 87 -1.472 -3.953 -28.664 1.00 0.68 H new ATOM 1315 N ASN A 88 -5.094 -4.625 -25.875 1.00 0.17 N ATOM 1316 CA ASN A 88 -5.866 -3.745 -25.006 1.00 0.20 C ATOM 1317 C ASN A 88 -7.186 -4.420 -24.627 1.00 0.18 C ATOM 1318 O ASN A 88 -8.267 -3.975 -25.006 1.00 0.27 O ATOM 1319 CB ASN A 88 -6.101 -2.390 -25.702 1.00 0.27 C ATOM 1320 CG ASN A 88 -6.660 -1.323 -24.778 1.00 0.99 C ATOM 1321 OD1 ASN A 88 -5.912 -0.626 -24.090 1.00 1.82 O ATOM 1322 ND2 ASN A 88 -7.972 -1.167 -24.777 1.00 1.60 N ATOM 0 H ASN A 88 -4.155 -4.833 -25.535 1.00 0.17 H new ATOM 0 HA ASN A 88 -5.309 -3.555 -24.088 1.00 0.20 H new ATOM 0 HB2 ASN A 88 -5.159 -2.038 -26.122 1.00 0.27 H new ATOM 0 HB3 ASN A 88 -6.788 -2.533 -26.536 1.00 0.27 H new ATOM 0 HD21 ASN A 88 -8.400 -0.449 -24.192 1.00 1.60 H new ATOM 0 HD22 ASN A 88 -8.557 -1.765 -25.361 1.00 1.60 H new ATOM 1329 N VAL A 89 -7.071 -5.531 -23.908 1.00 0.14 N ATOM 1330 CA VAL A 89 -8.223 -6.340 -23.525 1.00 0.15 C ATOM 1331 C VAL A 89 -8.890 -5.793 -22.263 1.00 0.19 C ATOM 1332 O VAL A 89 -8.278 -5.729 -21.202 1.00 0.32 O ATOM 1333 CB VAL A 89 -7.807 -7.820 -23.318 1.00 0.15 C ATOM 1334 CG1 VAL A 89 -8.943 -8.646 -22.741 1.00 0.22 C ATOM 1335 CG2 VAL A 89 -7.348 -8.417 -24.638 1.00 0.14 C ATOM 0 H VAL A 89 -6.179 -5.896 -23.575 1.00 0.14 H new ATOM 0 HA VAL A 89 -8.948 -6.291 -24.337 1.00 0.15 H new ATOM 0 HB VAL A 89 -6.985 -7.840 -22.602 1.00 0.15 H new ATOM 0 HG11 VAL A 89 -8.613 -9.677 -22.610 1.00 0.22 H new ATOM 0 HG12 VAL A 89 -9.238 -8.234 -21.776 1.00 0.22 H new ATOM 0 HG13 VAL A 89 -9.794 -8.621 -23.422 1.00 0.22 H new ATOM 0 HG21 VAL A 89 -7.057 -9.456 -24.486 1.00 0.14 H new ATOM 0 HG22 VAL A 89 -8.162 -8.370 -25.361 1.00 0.14 H new ATOM 0 HG23 VAL A 89 -6.495 -7.853 -25.015 1.00 0.14 H new ATOM 1345 N LEU A 90 -10.150 -5.395 -22.390 1.00 0.11 N ATOM 1346 CA LEU A 90 -10.900 -4.812 -21.282 1.00 0.16 C ATOM 1347 C LEU A 90 -12.031 -5.729 -20.850 1.00 0.11 C ATOM 1348 O LEU A 90 -12.597 -6.449 -21.667 1.00 0.13 O ATOM 1349 CB LEU A 90 -11.487 -3.453 -21.693 1.00 0.26 C ATOM 1350 CG LEU A 90 -10.646 -2.202 -21.424 1.00 0.43 C ATOM 1351 CD1 LEU A 90 -10.399 -2.006 -19.941 1.00 0.99 C ATOM 1352 CD2 LEU A 90 -9.338 -2.272 -22.188 1.00 1.12 C ATOM 0 H LEU A 90 -10.679 -5.466 -23.259 1.00 0.11 H new ATOM 0 HA LEU A 90 -10.211 -4.679 -20.448 1.00 0.16 H new ATOM 0 HB2 LEU A 90 -11.701 -3.490 -22.761 1.00 0.26 H new ATOM 0 HB3 LEU A 90 -12.441 -3.332 -21.181 1.00 0.26 H new ATOM 0 HG LEU A 90 -11.208 -1.337 -21.776 1.00 0.43 H new ATOM 0 HD11 LEU A 90 -9.799 -1.109 -19.787 1.00 0.99 H new ATOM 0 HD12 LEU A 90 -11.353 -1.898 -19.425 1.00 0.99 H new ATOM 0 HD13 LEU A 90 -9.867 -2.870 -19.543 1.00 0.99 H new ATOM 0 HD21 LEU A 90 -8.751 -1.376 -21.987 1.00 1.12 H new ATOM 0 HD22 LEU A 90 -8.778 -3.152 -21.871 1.00 1.12 H new ATOM 0 HD23 LEU A 90 -9.544 -2.339 -23.256 1.00 1.12 H new ATOM 1364 N LYS A 91 -12.359 -5.695 -19.565 1.00 0.16 N ATOM 1365 CA LYS A 91 -13.439 -6.507 -19.030 1.00 0.18 C ATOM 1366 C LYS A 91 -14.786 -5.834 -19.234 1.00 0.18 C ATOM 1367 O LYS A 91 -15.060 -4.771 -18.684 1.00 0.32 O ATOM 1368 CB LYS A 91 -13.212 -6.799 -17.546 1.00 0.27 C ATOM 1369 CG LYS A 91 -12.809 -8.238 -17.274 1.00 0.45 C ATOM 1370 CD LYS A 91 -13.920 -9.208 -17.656 1.00 0.59 C ATOM 1371 CE LYS A 91 -15.069 -9.156 -16.660 1.00 0.71 C ATOM 1372 NZ LYS A 91 -14.793 -9.969 -15.440 1.00 1.33 N ATOM 0 H LYS A 91 -11.889 -5.111 -18.873 1.00 0.16 H new ATOM 0 HA LYS A 91 -13.445 -7.451 -19.575 1.00 0.18 H new ATOM 0 HB2 LYS A 91 -12.437 -6.133 -17.166 1.00 0.27 H new ATOM 0 HB3 LYS A 91 -14.125 -6.574 -16.994 1.00 0.27 H new ATOM 0 HG2 LYS A 91 -11.906 -8.477 -17.836 1.00 0.45 H new ATOM 0 HG3 LYS A 91 -12.568 -8.356 -16.218 1.00 0.45 H new ATOM 0 HD2 LYS A 91 -14.289 -8.966 -18.653 1.00 0.59 H new ATOM 0 HD3 LYS A 91 -13.521 -10.221 -17.701 1.00 0.59 H new ATOM 0 HE2 LYS A 91 -15.251 -8.121 -16.371 1.00 0.71 H new ATOM 0 HE3 LYS A 91 -15.979 -9.518 -17.138 1.00 0.71 H new ATOM 0 HZ1 LYS A 91 -15.537 -9.798 -14.733 1.00 1.33 H new ATOM 0 HZ2 LYS A 91 -14.779 -10.978 -15.691 1.00 1.33 H new ATOM 0 HZ3 LYS A 91 -13.870 -9.698 -15.044 1.00 1.33 H new ATOM 1386 N ILE A 92 -15.625 -6.479 -20.021 1.00 0.16 N ATOM 1387 CA ILE A 92 -16.943 -5.958 -20.329 1.00 0.18 C ATOM 1388 C ILE A 92 -18.001 -6.731 -19.553 1.00 0.27 C ATOM 1389 O ILE A 92 -18.199 -7.925 -19.760 1.00 0.28 O ATOM 1390 CB ILE A 92 -17.233 -6.044 -21.843 1.00 0.16 C ATOM 1391 CG1 ILE A 92 -16.189 -5.253 -22.635 1.00 0.15 C ATOM 1392 CG2 ILE A 92 -18.633 -5.543 -22.171 1.00 0.21 C ATOM 1393 CD1 ILE A 92 -16.187 -3.776 -22.331 1.00 0.16 C ATOM 0 H ILE A 92 -15.414 -7.374 -20.463 1.00 0.16 H new ATOM 0 HA ILE A 92 -16.973 -4.909 -20.035 1.00 0.18 H new ATOM 0 HB ILE A 92 -17.175 -7.094 -22.131 1.00 0.16 H new ATOM 0 HG12 ILE A 92 -15.200 -5.660 -22.423 1.00 0.15 H new ATOM 0 HG13 ILE A 92 -16.370 -5.395 -23.700 1.00 0.15 H new ATOM 0 HG21 ILE A 92 -18.804 -5.618 -23.245 1.00 0.21 H new ATOM 0 HG22 ILE A 92 -19.369 -6.149 -21.644 1.00 0.21 H new ATOM 0 HG23 ILE A 92 -18.729 -4.503 -21.860 1.00 0.21 H new ATOM 0 HD11 ILE A 92 -15.421 -3.282 -22.930 1.00 0.16 H new ATOM 0 HD12 ILE A 92 -17.163 -3.354 -22.570 1.00 0.16 H new ATOM 0 HD13 ILE A 92 -15.975 -3.623 -21.273 1.00 0.16 H new ATOM 1405 N ASN A 93 -18.670 -6.037 -18.658 1.00 0.45 N ATOM 1406 CA ASN A 93 -19.645 -6.669 -17.777 1.00 0.65 C ATOM 1407 C ASN A 93 -21.049 -6.512 -18.336 1.00 0.72 C ATOM 1408 O ASN A 93 -21.625 -5.419 -18.316 1.00 0.80 O ATOM 1409 CB ASN A 93 -19.560 -6.087 -16.365 1.00 0.84 C ATOM 1410 CG ASN A 93 -18.218 -6.352 -15.699 1.00 1.79 C ATOM 1411 OD1 ASN A 93 -18.014 -7.395 -15.077 1.00 2.50 O ATOM 1412 ND2 ASN A 93 -17.294 -5.411 -15.827 1.00 2.57 N ATOM 0 H ASN A 93 -18.561 -5.033 -18.516 1.00 0.45 H new ATOM 0 HA ASN A 93 -19.413 -7.733 -17.720 1.00 0.65 H new ATOM 0 HB2 ASN A 93 -19.733 -5.012 -16.409 1.00 0.84 H new ATOM 0 HB3 ASN A 93 -20.355 -6.513 -15.753 1.00 0.84 H new ATOM 0 HD21 ASN A 93 -16.375 -5.537 -15.402 1.00 2.57 H new ATOM 0 HD22 ASN A 93 -17.501 -4.560 -16.350 1.00 2.57 H new ATOM 1419 N ASP A 94 -21.588 -7.610 -18.843 1.00 0.91 N ATOM 1420 CA ASP A 94 -22.903 -7.607 -19.476 1.00 1.18 C ATOM 1421 C ASP A 94 -24.015 -7.548 -18.435 1.00 1.71 C ATOM 1422 O ASP A 94 -23.759 -7.591 -17.229 1.00 2.21 O ATOM 1423 CB ASP A 94 -23.089 -8.852 -20.351 1.00 1.74 C ATOM 1424 CG ASP A 94 -23.398 -10.097 -19.540 1.00 2.42 C ATOM 1425 OD1 ASP A 94 -24.529 -10.616 -19.661 1.00 3.08 O ATOM 1426 OD2 ASP A 94 -22.524 -10.555 -18.777 1.00 2.81 O ATOM 0 H ASP A 94 -21.133 -8.523 -18.829 1.00 0.91 H new ATOM 0 HA ASP A 94 -22.961 -6.717 -20.103 1.00 1.18 H new ATOM 0 HB2 ASP A 94 -23.898 -8.675 -21.060 1.00 1.74 H new ATOM 0 HB3 ASP A 94 -22.184 -9.019 -20.935 1.00 1.74 H new TER 1431 ASP A 94