USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 966 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 97 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 1.87 K(o=3,f=-3.4!) USER MOD Set 1.3: A 112 SER OG : rot -89:sc= 1.14 USER MOD Set 2.1: A 96 ASN : amide:sc= 0.806 K(o=1.9,f=-3.5!) USER MOD Set 2.2: A 115 SER OG : rot -19:sc= 1.1 USER MOD Set 3.1: A 52 HIS : no HD1:sc= 1.15 K(o=1.8,f=-3.8!) USER MOD Set 3.2: A 58 THR OG1 : rot 17:sc= 0.632 USER MOD Set 4.1: A 38 THR OG1 : rot 180:sc= 0.0826 USER MOD Set 4.2: A 51 GLN : amide:sc= -0.192 X(o=-0.11,f=-0.091) USER MOD Set 5.1: A 3 THR OG1 : rot 180:sc= -0.589 USER MOD Set 5.2: A 42 GLN : amide:sc= -0.0484 K(o=-0.64,f=-2!) USER MOD Single : A 5 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.1) USER MOD Single : A 6 TYR OH : rot -154:sc= 0.804 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.01 K(o=1,f=-1.6!) USER MOD Single : A 14 TYR OH : rot -152:sc= 1.2 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 144:sc= -1.26 (180deg=-1.93!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 34 CYS SG : rot 145:sc= 1.14 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.104 K(o=-0.1,f=-2.1!) USER MOD Single : A 45 ASN : amide:sc= -2.13 K(o=-2.1,f=-3.3!) USER MOD Single : A 48 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 50 THR OG1 : rot 79:sc= 0.0763 USER MOD Single : A 59 THR OG1 : rot 78:sc= -0.0703 USER MOD Single : A 60 THR OG1 : rot -160:sc= -0.886 USER MOD Single : A 61 ASN : amide:sc= -1.04 K(o=-1,f=-1.6!) USER MOD Single : A 62 SER OG : rot 180:sc=8.41e-05 USER MOD Single : A 64 THR OG1 : rot 35:sc= 1.16 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -174:sc= -2.44! (180deg=-2.65!) USER MOD Single : A 73 THR OG1 : rot 160:sc= 0.0937 USER MOD Single : A 74 MET CE :methyl 159:sc= -0.0748 (180deg=-1.08) USER MOD Single : A 78 LYS NZ :NH3+ -167:sc= 0.513 (180deg=0.0927) USER MOD Single : A 80 LYS NZ :NH3+ 134:sc= 1.23 (180deg=0.394) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 178:sc= -1.11 (180deg=-1.22) USER MOD Single : A 89 LYS NZ :NH3+ -104:sc= 2.43 (180deg=-0.989) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 114 SER OG : rot 139:sc= 0.832 USER MOD Single : A 119 TYR OH : rot 150:sc= 0.0256 USER MOD Single : A 120 LYS NZ :NH3+ -153:sc= 0.329 (180deg=0.0636) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ -154:sc= 1.19 (180deg=-0.0114) USER MOD Single : A 125 LYS NZ :NH3+ 159:sc= -0.0358 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 2 -12.540 -6.772 -2.914 1.00 0.35 N ATOM 12 CA PHE A 2 -11.329 -6.260 -2.292 1.00 0.27 C ATOM 13 C PHE A 2 -11.013 -6.997 -0.998 1.00 0.23 C ATOM 14 O PHE A 2 -9.868 -7.013 -0.552 1.00 0.25 O ATOM 15 CB PHE A 2 -11.460 -4.762 -2.018 1.00 0.33 C ATOM 16 CG PHE A 2 -11.225 -3.913 -3.231 1.00 0.31 C ATOM 17 CD1 PHE A 2 -10.002 -3.944 -3.883 1.00 1.22 C ATOM 18 CD2 PHE A 2 -12.221 -3.086 -3.722 1.00 1.24 C ATOM 19 CE1 PHE A 2 -9.779 -3.170 -5.000 1.00 1.23 C ATOM 20 CE2 PHE A 2 -12.000 -2.307 -4.841 1.00 1.24 C ATOM 21 CZ PHE A 2 -10.777 -2.352 -5.479 1.00 0.36 C ATOM 0 HA PHE A 2 -10.507 -6.426 -2.988 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.457 -4.557 -1.628 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.749 -4.478 -1.242 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -9.215 -4.583 -3.511 1.00 1.22 H new ATOM 0 HD2 PHE A 2 -13.179 -3.050 -3.226 1.00 1.24 H new ATOM 0 HE1 PHE A 2 -8.822 -3.205 -5.500 1.00 1.23 H new ATOM 0 HE2 PHE A 2 -12.783 -1.664 -5.216 1.00 1.24 H new ATOM 0 HZ PHE A 2 -10.603 -1.745 -6.355 1.00 0.36 H new ATOM 31 N THR A 3 -12.026 -7.611 -0.400 1.00 0.20 N ATOM 32 CA THR A 3 -11.843 -8.334 0.845 1.00 0.19 C ATOM 33 C THR A 3 -10.994 -9.579 0.640 1.00 0.19 C ATOM 34 O THR A 3 -11.158 -10.300 -0.352 1.00 0.26 O ATOM 35 CB THR A 3 -13.182 -8.750 1.457 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.196 -7.795 1.120 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.051 -8.855 2.964 1.00 0.26 C ATOM 0 H THR A 3 -12.981 -7.621 -0.759 1.00 0.20 H new ATOM 0 HA THR A 3 -11.333 -7.653 1.526 1.00 0.19 H new ATOM 0 HB THR A 3 -13.466 -9.723 1.056 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.049 -8.071 1.515 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.008 -9.152 3.393 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.296 -9.600 3.212 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.755 -7.888 3.372 1.00 0.26 H new ATOM 45 N GLY A 4 -10.100 -9.834 1.583 1.00 0.19 N ATOM 46 CA GLY A 4 -9.242 -10.986 1.496 1.00 0.21 C ATOM 47 C GLY A 4 -7.822 -10.666 1.902 1.00 0.19 C ATOM 48 O GLY A 4 -7.486 -9.505 2.127 1.00 0.21 O ATOM 0 H GLY A 4 -9.957 -9.256 2.411 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.632 -11.778 2.135 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.250 -11.368 0.475 1.00 0.21 H new ATOM 52 N LYS A 5 -7.005 -11.694 2.040 1.00 0.20 N ATOM 53 CA LYS A 5 -5.607 -11.505 2.387 1.00 0.20 C ATOM 54 C LYS A 5 -4.779 -11.545 1.106 1.00 0.18 C ATOM 55 O LYS A 5 -5.089 -12.296 0.179 1.00 0.19 O ATOM 56 CB LYS A 5 -5.136 -12.565 3.400 1.00 0.23 C ATOM 57 CG LYS A 5 -4.348 -13.712 2.788 1.00 0.28 C ATOM 58 CD LYS A 5 -4.145 -14.863 3.766 1.00 0.31 C ATOM 59 CE LYS A 5 -3.026 -14.566 4.747 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.906 -15.541 4.628 1.00 1.54 N ATOM 0 H LYS A 5 -7.284 -12.667 1.917 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.476 -10.536 2.869 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.519 -12.079 4.156 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.007 -12.972 3.913 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -4.871 -14.078 1.904 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.377 -13.346 2.455 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.070 -15.046 4.312 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -3.915 -15.775 3.215 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.649 -13.558 4.573 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.419 -14.588 5.763 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.108 -15.226 5.216 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -2.225 -16.477 4.950 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.602 -15.601 3.635 1.00 1.54 H new ATOM 74 N TYR A 6 -3.752 -10.722 1.039 1.00 0.19 N ATOM 75 CA TYR A 6 -2.909 -10.662 -0.144 1.00 0.19 C ATOM 76 C TYR A 6 -1.449 -10.813 0.239 1.00 0.19 C ATOM 77 O TYR A 6 -1.016 -10.284 1.261 1.00 0.23 O ATOM 78 CB TYR A 6 -3.134 -9.342 -0.883 1.00 0.22 C ATOM 79 CG TYR A 6 -4.577 -9.111 -1.266 1.00 0.23 C ATOM 80 CD1 TYR A 6 -5.092 -9.641 -2.440 1.00 1.14 C ATOM 81 CD2 TYR A 6 -5.427 -8.373 -0.451 1.00 1.25 C ATOM 82 CE1 TYR A 6 -6.412 -9.443 -2.792 1.00 1.13 C ATOM 83 CE2 TYR A 6 -6.748 -8.170 -0.796 1.00 1.29 C ATOM 84 CZ TYR A 6 -7.234 -8.708 -1.967 1.00 0.35 C ATOM 85 OH TYR A 6 -8.550 -8.515 -2.309 1.00 0.44 O ATOM 0 H TYR A 6 -3.479 -10.085 1.787 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.177 -11.484 -0.808 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.796 -8.519 -0.254 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.520 -9.328 -1.783 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.450 -10.218 -3.089 1.00 1.14 H new ATOM 0 HD2 TYR A 6 -5.048 -7.951 0.468 1.00 1.25 H new ATOM 0 HE1 TYR A 6 -6.798 -9.862 -3.709 1.00 1.13 H new ATOM 0 HE2 TYR A 6 -7.396 -7.593 -0.152 1.00 1.29 H new ATOM 0 HH TYR A 6 -8.877 -7.688 -1.897 1.00 0.44 H new ATOM 95 N GLU A 7 -0.701 -11.546 -0.575 1.00 0.19 N ATOM 96 CA GLU A 7 0.711 -11.775 -0.317 1.00 0.21 C ATOM 97 C GLU A 7 1.559 -11.342 -1.506 1.00 0.19 C ATOM 98 O GLU A 7 1.168 -11.522 -2.663 1.00 0.22 O ATOM 99 CB GLU A 7 0.952 -13.250 0.004 1.00 0.26 C ATOM 100 CG GLU A 7 0.529 -13.633 1.413 1.00 0.33 C ATOM 101 CD GLU A 7 0.428 -15.130 1.617 1.00 0.59 C ATOM 102 OE1 GLU A 7 1.030 -15.890 0.830 1.00 1.20 O ATOM 103 OE2 GLU A 7 -0.263 -15.553 2.568 1.00 1.41 O ATOM 0 H GLU A 7 -1.052 -11.993 -1.422 1.00 0.19 H new ATOM 0 HA GLU A 7 1.006 -11.174 0.543 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.407 -13.865 -0.712 1.00 0.26 H new ATOM 0 HB3 GLU A 7 2.011 -13.475 -0.124 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.245 -13.223 2.125 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.436 -13.176 1.633 1.00 0.33 H new ATOM 110 N PHE A 8 2.717 -10.766 -1.190 1.00 0.23 N ATOM 111 CA PHE A 8 3.667 -10.274 -2.186 1.00 0.25 C ATOM 112 C PHE A 8 3.925 -11.308 -3.285 1.00 0.24 C ATOM 113 O PHE A 8 4.383 -12.424 -3.019 1.00 0.33 O ATOM 114 CB PHE A 8 4.981 -9.888 -1.483 1.00 0.33 C ATOM 115 CG PHE A 8 6.147 -9.661 -2.409 1.00 0.68 C ATOM 116 CD1 PHE A 8 6.057 -8.768 -3.466 1.00 1.55 C ATOM 117 CD2 PHE A 8 7.337 -10.346 -2.216 1.00 1.32 C ATOM 118 CE1 PHE A 8 7.131 -8.567 -4.315 1.00 1.86 C ATOM 119 CE2 PHE A 8 8.414 -10.150 -3.060 1.00 1.57 C ATOM 120 CZ PHE A 8 8.312 -9.259 -4.111 1.00 1.49 C ATOM 0 H PHE A 8 3.025 -10.626 -0.228 1.00 0.23 H new ATOM 0 HA PHE A 8 3.238 -9.397 -2.670 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.814 -8.981 -0.902 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.244 -10.675 -0.776 1.00 0.33 H new ATOM 0 HD1 PHE A 8 5.139 -8.223 -3.628 1.00 1.55 H new ATOM 0 HD2 PHE A 8 7.424 -11.042 -1.395 1.00 1.32 H new ATOM 0 HE1 PHE A 8 7.048 -7.871 -5.136 1.00 1.86 H new ATOM 0 HE2 PHE A 8 9.334 -10.692 -2.898 1.00 1.57 H new ATOM 0 HZ PHE A 8 9.152 -9.103 -4.772 1.00 1.49 H new ATOM 130 N GLU A 9 3.606 -10.934 -4.519 1.00 0.25 N ATOM 131 CA GLU A 9 3.805 -11.813 -5.663 1.00 0.26 C ATOM 132 C GLU A 9 4.823 -11.217 -6.634 1.00 0.28 C ATOM 133 O GLU A 9 5.772 -11.885 -7.043 1.00 0.34 O ATOM 134 CB GLU A 9 2.477 -12.047 -6.383 1.00 0.27 C ATOM 135 CG GLU A 9 2.560 -13.070 -7.503 1.00 0.35 C ATOM 136 CD GLU A 9 2.020 -14.421 -7.086 1.00 0.61 C ATOM 137 OE1 GLU A 9 2.636 -15.070 -6.214 1.00 1.19 O ATOM 138 OE2 GLU A 9 0.971 -14.836 -7.624 1.00 1.46 O ATOM 0 H GLU A 9 3.207 -10.025 -4.752 1.00 0.25 H new ATOM 0 HA GLU A 9 4.189 -12.766 -5.299 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.734 -12.376 -5.657 1.00 0.27 H new ATOM 0 HB3 GLU A 9 2.125 -11.101 -6.793 1.00 0.27 H new ATOM 0 HG2 GLU A 9 2.001 -12.708 -8.366 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.598 -13.177 -7.818 1.00 0.35 H new ATOM 145 N SER A 10 4.619 -9.960 -7.011 1.00 0.26 N ATOM 146 CA SER A 10 5.517 -9.283 -7.938 1.00 0.29 C ATOM 147 C SER A 10 5.593 -7.787 -7.627 1.00 0.27 C ATOM 148 O SER A 10 4.686 -7.230 -7.004 1.00 0.32 O ATOM 149 CB SER A 10 5.047 -9.509 -9.383 1.00 0.34 C ATOM 150 OG SER A 10 5.023 -10.892 -9.702 1.00 1.01 O ATOM 0 H SER A 10 3.838 -9.389 -6.688 1.00 0.26 H new ATOM 0 HA SER A 10 6.516 -9.702 -7.822 1.00 0.29 H new ATOM 0 HB2 SER A 10 4.052 -9.085 -9.516 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.711 -8.985 -10.071 1.00 0.34 H new ATOM 0 HG SER A 10 4.719 -11.009 -10.626 1.00 1.01 H new ATOM 156 N ASP A 11 6.677 -7.145 -8.062 1.00 0.28 N ATOM 157 CA ASP A 11 6.889 -5.722 -7.835 1.00 0.28 C ATOM 158 C ASP A 11 7.646 -5.127 -9.009 1.00 0.28 C ATOM 159 O ASP A 11 8.366 -5.834 -9.717 1.00 0.34 O ATOM 160 CB ASP A 11 7.666 -5.470 -6.531 1.00 0.32 C ATOM 161 CG ASP A 11 9.152 -5.794 -6.637 1.00 0.97 C ATOM 162 OD1 ASP A 11 9.938 -4.910 -7.039 1.00 1.71 O ATOM 163 OD2 ASP A 11 9.539 -6.935 -6.312 1.00 1.72 O ATOM 0 H ASP A 11 7.429 -7.599 -8.580 1.00 0.28 H new ATOM 0 HA ASP A 11 5.914 -5.243 -7.742 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.550 -4.425 -6.244 1.00 0.32 H new ATOM 0 HB3 ASP A 11 7.227 -6.070 -5.734 1.00 0.32 H new ATOM 168 N GLU A 12 7.479 -3.837 -9.209 1.00 0.26 N ATOM 169 CA GLU A 12 8.129 -3.146 -10.302 1.00 0.27 C ATOM 170 C GLU A 12 8.455 -1.715 -9.894 1.00 0.25 C ATOM 171 O GLU A 12 7.641 -1.041 -9.255 1.00 0.26 O ATOM 172 CB GLU A 12 7.218 -3.182 -11.529 1.00 0.32 C ATOM 173 CG GLU A 12 7.633 -2.258 -12.666 1.00 0.38 C ATOM 174 CD GLU A 12 6.729 -2.387 -13.878 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.829 -3.403 -14.593 1.00 1.44 O ATOM 176 OE2 GLU A 12 5.923 -1.467 -14.136 1.00 1.00 O ATOM 0 H GLU A 12 6.893 -3.242 -8.623 1.00 0.26 H new ATOM 0 HA GLU A 12 9.068 -3.641 -10.551 1.00 0.27 H new ATOM 0 HB2 GLU A 12 7.182 -4.204 -11.906 1.00 0.32 H new ATOM 0 HB3 GLU A 12 6.206 -2.921 -11.219 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.620 -1.226 -12.315 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.659 -2.483 -12.956 1.00 0.38 H new ATOM 183 N ASN A 13 9.652 -1.281 -10.262 1.00 0.25 N ATOM 184 CA ASN A 13 10.155 0.062 -9.948 1.00 0.25 C ATOM 185 C ASN A 13 10.308 0.257 -8.445 1.00 0.23 C ATOM 186 O ASN A 13 10.068 1.344 -7.921 1.00 0.30 O ATOM 187 CB ASN A 13 9.243 1.154 -10.528 1.00 0.29 C ATOM 188 CG ASN A 13 9.519 1.429 -11.991 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.636 1.245 -12.474 1.00 0.51 O ATOM 190 ND2 ASN A 13 8.499 1.878 -12.706 1.00 0.84 N ATOM 0 H ASN A 13 10.312 -1.851 -10.792 1.00 0.25 H new ATOM 0 HA ASN A 13 11.137 0.151 -10.412 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.202 0.853 -10.409 1.00 0.29 H new ATOM 0 HB3 ASN A 13 9.376 2.074 -9.958 1.00 0.29 H new ATOM 0 HD21 ASN A 13 8.623 2.085 -13.697 1.00 0.84 H new ATOM 0 HD22 ASN A 13 7.589 2.016 -12.266 1.00 0.84 H new ATOM 197 N TYR A 14 10.738 -0.793 -7.753 1.00 0.23 N ATOM 198 CA TYR A 14 10.916 -0.725 -6.308 1.00 0.25 C ATOM 199 C TYR A 14 12.013 0.267 -5.939 1.00 0.23 C ATOM 200 O TYR A 14 11.750 1.272 -5.274 1.00 0.22 O ATOM 201 CB TYR A 14 11.239 -2.104 -5.718 1.00 0.32 C ATOM 202 CG TYR A 14 11.187 -2.122 -4.208 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.281 -1.723 -3.454 1.00 1.28 C ATOM 204 CD2 TYR A 14 10.036 -2.517 -3.539 1.00 1.30 C ATOM 205 CE1 TYR A 14 12.229 -1.707 -2.077 1.00 1.39 C ATOM 206 CE2 TYR A 14 9.980 -2.512 -2.159 1.00 1.36 C ATOM 207 CZ TYR A 14 11.080 -2.105 -1.434 1.00 0.78 C ATOM 208 OH TYR A 14 11.023 -2.072 -0.062 1.00 0.98 O ATOM 0 H TYR A 14 10.968 -1.696 -8.167 1.00 0.23 H new ATOM 0 HA TYR A 14 9.973 -0.381 -5.882 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.533 -2.836 -6.110 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.232 -2.411 -6.046 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.189 -1.420 -3.955 1.00 1.28 H new ATOM 0 HD2 TYR A 14 9.173 -2.833 -4.106 1.00 1.30 H new ATOM 0 HE1 TYR A 14 13.086 -1.383 -1.505 1.00 1.39 H new ATOM 0 HE2 TYR A 14 9.080 -2.825 -1.651 1.00 1.36 H new ATOM 0 HH TYR A 14 10.394 -2.753 0.256 1.00 0.98 H new ATOM 218 N ASP A 15 13.239 -0.018 -6.377 1.00 0.25 N ATOM 219 CA ASP A 15 14.382 0.843 -6.074 1.00 0.26 C ATOM 220 C ASP A 15 14.145 2.257 -6.575 1.00 0.25 C ATOM 221 O ASP A 15 14.472 3.226 -5.898 1.00 0.26 O ATOM 222 CB ASP A 15 15.670 0.297 -6.691 1.00 0.33 C ATOM 223 CG ASP A 15 16.062 -1.060 -6.141 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.573 -2.082 -6.663 1.00 1.18 O ATOM 225 OD2 ASP A 15 16.864 -1.117 -5.185 1.00 1.30 O ATOM 0 H ASP A 15 13.466 -0.837 -6.942 1.00 0.25 H new ATOM 0 HA ASP A 15 14.492 0.860 -4.990 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.546 0.223 -7.771 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.480 1.004 -6.511 1.00 0.33 H new ATOM 230 N ASP A 16 13.557 2.368 -7.754 1.00 0.25 N ATOM 231 CA ASP A 16 13.268 3.667 -8.343 1.00 0.26 C ATOM 232 C ASP A 16 12.345 4.471 -7.436 1.00 0.25 C ATOM 233 O ASP A 16 12.564 5.656 -7.198 1.00 0.29 O ATOM 234 CB ASP A 16 12.624 3.481 -9.712 1.00 0.29 C ATOM 235 CG ASP A 16 13.396 4.169 -10.820 1.00 0.72 C ATOM 236 OD1 ASP A 16 14.438 3.626 -11.246 1.00 1.20 O ATOM 237 OD2 ASP A 16 12.967 5.255 -11.266 1.00 1.46 O ATOM 0 H ASP A 16 13.269 1.573 -8.324 1.00 0.25 H new ATOM 0 HA ASP A 16 14.203 4.216 -8.458 1.00 0.26 H new ATOM 0 HB2 ASP A 16 12.551 2.416 -9.933 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.607 3.872 -9.687 1.00 0.29 H new ATOM 242 N PHE A 17 11.328 3.802 -6.915 1.00 0.21 N ATOM 243 CA PHE A 17 10.359 4.429 -6.028 1.00 0.21 C ATOM 244 C PHE A 17 11.003 4.850 -4.715 1.00 0.20 C ATOM 245 O PHE A 17 10.893 6.002 -4.305 1.00 0.23 O ATOM 246 CB PHE A 17 9.212 3.461 -5.748 1.00 0.21 C ATOM 247 CG PHE A 17 8.062 4.070 -5.002 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.211 4.964 -5.629 1.00 1.17 C ATOM 249 CD2 PHE A 17 7.822 3.736 -3.676 1.00 1.22 C ATOM 250 CE1 PHE A 17 6.147 5.517 -4.948 1.00 1.19 C ATOM 251 CE2 PHE A 17 6.756 4.285 -2.994 1.00 1.24 C ATOM 252 CZ PHE A 17 5.918 5.175 -3.632 1.00 0.38 C ATOM 0 H PHE A 17 11.151 2.813 -7.094 1.00 0.21 H new ATOM 0 HA PHE A 17 9.977 5.322 -6.523 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.847 3.064 -6.695 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.596 2.617 -5.175 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.382 5.231 -6.661 1.00 1.17 H new ATOM 0 HD2 PHE A 17 8.477 3.039 -3.173 1.00 1.22 H new ATOM 0 HE1 PHE A 17 5.493 6.218 -5.445 1.00 1.19 H new ATOM 0 HE2 PHE A 17 6.578 4.018 -1.963 1.00 1.24 H new ATOM 0 HZ PHE A 17 5.082 5.605 -3.101 1.00 0.38 H new ATOM 262 N VAL A 18 11.681 3.910 -4.066 1.00 0.19 N ATOM 263 CA VAL A 18 12.328 4.180 -2.790 1.00 0.21 C ATOM 264 C VAL A 18 13.415 5.248 -2.924 1.00 0.23 C ATOM 265 O VAL A 18 13.613 6.055 -2.015 1.00 0.26 O ATOM 266 CB VAL A 18 12.917 2.897 -2.167 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.814 1.891 -1.879 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.971 2.282 -3.069 1.00 0.23 C ATOM 0 H VAL A 18 11.796 2.954 -4.404 1.00 0.19 H new ATOM 0 HA VAL A 18 11.555 4.560 -2.122 1.00 0.21 H new ATOM 0 HB VAL A 18 13.396 3.171 -1.227 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.247 0.992 -1.440 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.097 2.326 -1.182 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.306 1.632 -2.808 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.367 1.380 -2.603 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.524 2.028 -4.030 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.780 2.996 -3.223 1.00 0.23 H new ATOM 278 N LYS A 19 14.113 5.266 -4.056 1.00 0.24 N ATOM 279 CA LYS A 19 15.151 6.265 -4.280 1.00 0.29 C ATOM 280 C LYS A 19 14.526 7.622 -4.584 1.00 0.30 C ATOM 281 O LYS A 19 15.129 8.666 -4.340 1.00 0.34 O ATOM 282 CB LYS A 19 16.077 5.846 -5.425 1.00 0.33 C ATOM 283 CG LYS A 19 17.066 4.751 -5.044 1.00 0.41 C ATOM 284 CD LYS A 19 18.439 5.314 -4.699 1.00 0.54 C ATOM 285 CE LYS A 19 18.432 6.050 -3.369 1.00 0.87 C ATOM 286 NZ LYS A 19 19.766 6.608 -3.033 1.00 1.18 N ATOM 0 H LYS A 19 13.981 4.608 -4.824 1.00 0.24 H new ATOM 0 HA LYS A 19 15.744 6.344 -3.369 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.471 5.501 -6.263 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.631 6.719 -5.771 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.678 4.194 -4.191 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.161 4.045 -5.869 1.00 0.41 H new ATOM 0 HD2 LYS A 19 19.165 4.502 -4.661 1.00 0.54 H new ATOM 0 HD3 LYS A 19 18.762 5.993 -5.488 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.701 6.857 -3.406 1.00 0.87 H new ATOM 0 HE3 LYS A 19 18.115 5.368 -2.580 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 19.716 7.101 -2.119 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.460 5.836 -2.972 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 20.058 7.278 -3.772 1.00 1.18 H new ATOM 300 N LYS A 20 13.303 7.594 -5.095 1.00 0.29 N ATOM 301 CA LYS A 20 12.587 8.810 -5.448 1.00 0.32 C ATOM 302 C LYS A 20 11.947 9.457 -4.222 1.00 0.31 C ATOM 303 O LYS A 20 12.026 10.671 -4.040 1.00 0.36 O ATOM 304 CB LYS A 20 11.513 8.501 -6.494 1.00 0.35 C ATOM 305 CG LYS A 20 11.038 9.721 -7.256 1.00 0.58 C ATOM 306 CD LYS A 20 12.108 10.225 -8.211 1.00 0.73 C ATOM 307 CE LYS A 20 11.672 11.505 -8.897 1.00 0.71 C ATOM 308 NZ LYS A 20 12.746 12.080 -9.749 1.00 0.88 N ATOM 0 H LYS A 20 12.783 6.735 -5.275 1.00 0.29 H new ATOM 0 HA LYS A 20 13.308 9.514 -5.863 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.907 7.772 -7.202 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.660 8.037 -6.000 1.00 0.35 H new ATOM 0 HG2 LYS A 20 10.135 9.475 -7.815 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.773 10.511 -6.553 1.00 0.58 H new ATOM 0 HD2 LYS A 20 13.034 10.400 -7.664 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.319 9.462 -8.960 1.00 0.73 H new ATOM 0 HE2 LYS A 20 10.793 11.306 -9.509 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.377 12.236 -8.144 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 12.403 12.953 -10.198 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 13.577 12.296 -9.162 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 13.010 11.394 -10.484 1.00 0.88 H new ATOM 322 N ILE A 21 11.322 8.642 -3.377 1.00 0.28 N ATOM 323 CA ILE A 21 10.654 9.149 -2.182 1.00 0.30 C ATOM 324 C ILE A 21 11.649 9.470 -1.065 1.00 0.32 C ATOM 325 O ILE A 21 11.273 10.009 -0.023 1.00 0.39 O ATOM 326 CB ILE A 21 9.586 8.163 -1.663 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.216 6.799 -1.349 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.467 8.018 -2.689 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.417 5.971 -0.368 1.00 0.30 C ATOM 0 H ILE A 21 11.264 7.631 -3.497 1.00 0.28 H new ATOM 0 HA ILE A 21 10.158 10.074 -2.477 1.00 0.30 H new ATOM 0 HB ILE A 21 9.163 8.559 -0.740 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.328 6.238 -2.277 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.217 6.955 -0.948 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.718 7.320 -2.314 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.004 8.989 -2.862 1.00 0.31 H new ATOM 0 HG23 ILE A 21 8.878 7.640 -3.625 1.00 0.31 H new ATOM 0 HD11 ILE A 21 9.924 5.022 -0.195 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.327 6.511 0.575 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.424 5.783 -0.775 1.00 0.30 H new ATOM 341 N GLY A 22 12.913 9.125 -1.281 1.00 0.31 N ATOM 342 CA GLY A 22 13.947 9.411 -0.301 1.00 0.36 C ATOM 343 C GLY A 22 13.961 8.442 0.865 1.00 0.34 C ATOM 344 O GLY A 22 14.297 8.823 1.984 1.00 0.39 O ATOM 0 H GLY A 22 13.243 8.650 -2.121 1.00 0.31 H new ATOM 0 HA2 GLY A 22 14.919 9.388 -0.793 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.806 10.423 0.079 1.00 0.36 H new ATOM 348 N LEU A 23 13.596 7.193 0.611 1.00 0.28 N ATOM 349 CA LEU A 23 13.593 6.175 1.656 1.00 0.27 C ATOM 350 C LEU A 23 15.023 5.797 2.029 1.00 0.28 C ATOM 351 O LEU A 23 15.848 5.567 1.150 1.00 0.28 O ATOM 352 CB LEU A 23 12.847 4.927 1.174 1.00 0.24 C ATOM 353 CG LEU A 23 12.435 3.936 2.267 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.397 4.550 3.184 1.00 0.31 C ATOM 355 CD2 LEU A 23 11.893 2.660 1.648 1.00 0.25 C ATOM 0 H LEU A 23 13.299 6.860 -0.306 1.00 0.28 H new ATOM 0 HA LEU A 23 13.089 6.582 2.533 1.00 0.27 H new ATOM 0 HB2 LEU A 23 11.951 5.245 0.641 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.477 4.405 0.454 1.00 0.24 H new ATOM 0 HG LEU A 23 13.319 3.694 2.857 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.119 3.829 3.953 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.810 5.442 3.655 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.515 4.821 2.605 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.605 1.966 2.438 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.023 2.894 1.035 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.662 2.202 1.026 1.00 0.25 H new ATOM 367 N PRO A 24 15.350 5.748 3.325 1.00 0.30 N ATOM 368 CA PRO A 24 16.693 5.370 3.770 1.00 0.32 C ATOM 369 C PRO A 24 17.012 3.923 3.419 1.00 0.30 C ATOM 370 O PRO A 24 16.155 3.042 3.549 1.00 0.28 O ATOM 371 CB PRO A 24 16.640 5.546 5.287 1.00 0.37 C ATOM 372 CG PRO A 24 15.193 5.483 5.630 1.00 0.36 C ATOM 373 CD PRO A 24 14.462 6.068 4.456 1.00 0.33 C ATOM 0 HA PRO A 24 17.467 5.971 3.292 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.201 4.762 5.795 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.077 6.498 5.590 1.00 0.37 H new ATOM 0 HG2 PRO A 24 14.880 4.455 5.811 1.00 0.36 H new ATOM 0 HG3 PRO A 24 14.983 6.045 6.540 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.474 5.624 4.333 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.317 7.143 4.565 1.00 0.33 H new ATOM 381 N ALA A 25 18.247 3.688 2.998 1.00 0.32 N ATOM 382 CA ALA A 25 18.708 2.361 2.596 1.00 0.34 C ATOM 383 C ALA A 25 18.403 1.289 3.638 1.00 0.35 C ATOM 384 O ALA A 25 18.018 0.171 3.293 1.00 0.36 O ATOM 385 CB ALA A 25 20.200 2.389 2.304 1.00 0.39 C ATOM 0 H ALA A 25 18.961 4.412 2.924 1.00 0.32 H new ATOM 0 HA ALA A 25 18.159 2.097 1.692 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.531 1.394 2.006 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.400 3.095 1.498 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.740 2.698 3.199 1.00 0.39 H new ATOM 391 N ASP A 26 18.562 1.635 4.912 1.00 0.37 N ATOM 392 CA ASP A 26 18.314 0.692 6.000 1.00 0.40 C ATOM 393 C ASP A 26 16.857 0.236 6.028 1.00 0.38 C ATOM 394 O ASP A 26 16.566 -0.901 6.395 1.00 0.42 O ATOM 395 CB ASP A 26 18.710 1.301 7.349 1.00 0.46 C ATOM 396 CG ASP A 26 20.204 1.221 7.592 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.948 2.023 6.991 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.642 0.346 8.369 1.00 2.03 O ATOM 0 H ASP A 26 18.861 2.561 5.217 1.00 0.37 H new ATOM 0 HA ASP A 26 18.934 -0.186 5.818 1.00 0.40 H new ATOM 0 HB2 ASP A 26 18.393 2.343 7.383 1.00 0.46 H new ATOM 0 HB3 ASP A 26 18.184 0.781 8.150 1.00 0.46 H new ATOM 403 N LYS A 27 15.938 1.114 5.640 1.00 0.35 N ATOM 404 CA LYS A 27 14.525 0.753 5.619 1.00 0.36 C ATOM 405 C LYS A 27 14.184 0.092 4.292 1.00 0.32 C ATOM 406 O LYS A 27 13.306 -0.769 4.220 1.00 0.33 O ATOM 407 CB LYS A 27 13.630 1.977 5.831 1.00 0.39 C ATOM 408 CG LYS A 27 13.884 2.719 7.137 1.00 0.41 C ATOM 409 CD LYS A 27 13.435 1.911 8.347 1.00 0.48 C ATOM 410 CE LYS A 27 13.232 2.802 9.566 1.00 0.72 C ATOM 411 NZ LYS A 27 13.044 2.014 10.816 1.00 0.94 N ATOM 0 H LYS A 27 16.142 2.067 5.340 1.00 0.35 H new ATOM 0 HA LYS A 27 14.343 0.056 6.437 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.775 2.667 5.000 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.588 1.660 5.803 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.947 2.945 7.225 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.356 3.672 7.121 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.505 1.392 8.115 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.179 1.147 8.573 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.093 3.460 9.680 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.362 3.440 9.407 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.910 2.662 11.618 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.207 1.404 10.720 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 13.884 1.424 10.984 1.00 0.94 H new ATOM 425 N ILE A 28 14.898 0.504 3.246 1.00 0.30 N ATOM 426 CA ILE A 28 14.706 -0.035 1.904 1.00 0.29 C ATOM 427 C ILE A 28 15.001 -1.531 1.879 1.00 0.34 C ATOM 428 O ILE A 28 14.128 -2.343 1.575 1.00 0.37 O ATOM 429 CB ILE A 28 15.631 0.663 0.874 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.224 2.117 0.661 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.618 -0.080 -0.453 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.154 2.875 -0.265 1.00 0.26 C ATOM 0 H ILE A 28 15.623 1.219 3.306 1.00 0.30 H new ATOM 0 HA ILE A 28 13.666 0.147 1.634 1.00 0.29 H new ATOM 0 HB ILE A 28 16.643 0.646 1.278 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.214 2.147 0.253 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.193 2.623 1.626 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.274 0.427 -1.161 1.00 0.35 H new ATOM 0 HG22 ILE A 28 15.968 -1.101 -0.302 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.603 -0.099 -0.849 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.804 3.902 -0.371 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.161 2.876 0.152 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.166 2.393 -1.243 1.00 0.26 H new ATOM 444 N GLU A 29 16.235 -1.878 2.225 1.00 0.37 N ATOM 445 CA GLU A 29 16.681 -3.267 2.237 1.00 0.44 C ATOM 446 C GLU A 29 15.896 -4.091 3.248 1.00 0.43 C ATOM 447 O GLU A 29 15.767 -5.309 3.119 1.00 0.47 O ATOM 448 CB GLU A 29 18.177 -3.329 2.552 1.00 0.52 C ATOM 449 CG GLU A 29 19.044 -2.711 1.470 1.00 0.55 C ATOM 450 CD GLU A 29 18.762 -3.310 0.108 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.224 -4.441 -0.148 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.058 -2.667 -0.697 1.00 1.73 O ATOM 0 H GLU A 29 16.952 -1.208 2.504 1.00 0.37 H new ATOM 0 HA GLU A 29 16.502 -3.691 1.249 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.364 -2.816 3.495 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.469 -4.370 2.692 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.870 -1.635 1.436 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.095 -2.857 1.720 1.00 0.55 H new ATOM 459 N MET A 30 15.366 -3.409 4.246 1.00 0.41 N ATOM 460 CA MET A 30 14.591 -4.046 5.291 1.00 0.43 C ATOM 461 C MET A 30 13.219 -4.455 4.760 1.00 0.40 C ATOM 462 O MET A 30 12.770 -5.580 4.968 1.00 0.41 O ATOM 463 CB MET A 30 14.440 -3.076 6.471 1.00 0.45 C ATOM 464 CG MET A 30 13.900 -3.706 7.745 1.00 0.46 C ATOM 465 SD MET A 30 14.801 -5.180 8.242 1.00 0.63 S ATOM 466 CE MET A 30 13.544 -6.415 7.946 1.00 0.97 C ATOM 0 H MET A 30 15.461 -2.399 4.354 1.00 0.41 H new ATOM 0 HA MET A 30 15.108 -4.945 5.627 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.412 -2.631 6.685 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.777 -2.264 6.174 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.942 -2.973 8.551 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.850 -3.961 7.600 1.00 0.46 H new ATOM 0 HE1 MET A 30 14.011 -7.328 7.577 1.00 0.97 H new ATOM 0 HE2 MET A 30 13.017 -6.628 8.876 1.00 0.97 H new ATOM 0 HE3 MET A 30 12.837 -6.044 7.204 1.00 0.97 H new ATOM 476 N GLY A 31 12.570 -3.547 4.036 1.00 0.39 N ATOM 477 CA GLY A 31 11.244 -3.825 3.513 1.00 0.39 C ATOM 478 C GLY A 31 11.233 -4.287 2.069 1.00 0.43 C ATOM 479 O GLY A 31 10.226 -4.131 1.377 1.00 0.51 O ATOM 0 H GLY A 31 12.938 -2.625 3.803 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.774 -4.590 4.132 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.635 -2.925 3.600 1.00 0.39 H new ATOM 483 N ARG A 32 12.323 -4.877 1.610 1.00 0.43 N ATOM 484 CA ARG A 32 12.394 -5.337 0.228 1.00 0.50 C ATOM 485 C ARG A 32 12.489 -6.850 0.166 1.00 0.44 C ATOM 486 O ARG A 32 13.130 -7.487 1.008 1.00 0.49 O ATOM 487 CB ARG A 32 13.572 -4.693 -0.515 1.00 0.60 C ATOM 488 CG ARG A 32 14.901 -5.409 -0.330 1.00 0.78 C ATOM 489 CD ARG A 32 15.983 -4.807 -1.214 1.00 0.71 C ATOM 490 NE ARG A 32 15.630 -4.845 -2.635 1.00 1.31 N ATOM 491 CZ ARG A 32 15.872 -3.850 -3.490 1.00 1.49 C ATOM 492 NH1 ARG A 32 16.548 -2.774 -3.098 1.00 1.65 N ATOM 493 NH2 ARG A 32 15.474 -3.954 -4.753 1.00 2.27 N ATOM 0 H ARG A 32 13.163 -5.049 2.163 1.00 0.43 H new ATOM 0 HA ARG A 32 11.474 -5.029 -0.269 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.338 -4.657 -1.579 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.679 -3.662 -0.177 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.207 -5.348 0.714 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.782 -6.466 -0.566 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.160 -3.774 -0.914 1.00 0.71 H new ATOM 0 HD3 ARG A 32 16.917 -5.348 -1.060 1.00 0.71 H new ATOM 0 HE ARG A 32 15.171 -5.683 -2.992 1.00 1.31 H new ATOM 0 HH11 ARG A 32 16.885 -2.705 -2.138 1.00 1.65 H new ATOM 0 HH12 ARG A 32 16.729 -2.017 -3.757 1.00 1.65 H new ATOM 0 HH21 ARG A 32 14.985 -4.793 -5.066 1.00 2.27 H new ATOM 0 HH22 ARG A 32 15.657 -3.195 -5.410 1.00 2.27 H new ATOM 507 N ASN A 33 11.822 -7.419 -0.842 1.00 0.53 N ATOM 508 CA ASN A 33 11.794 -8.866 -1.061 1.00 0.67 C ATOM 509 C ASN A 33 11.195 -9.575 0.144 1.00 0.59 C ATOM 510 O ASN A 33 11.388 -10.774 0.341 1.00 0.69 O ATOM 511 CB ASN A 33 13.201 -9.404 -1.345 1.00 0.80 C ATOM 512 CG ASN A 33 13.914 -8.631 -2.440 1.00 1.23 C ATOM 513 OD1 ASN A 33 13.284 -8.036 -3.315 1.00 1.72 O ATOM 514 ND2 ASN A 33 15.234 -8.622 -2.390 1.00 1.78 N ATOM 0 H ASN A 33 11.286 -6.888 -1.529 1.00 0.53 H new ATOM 0 HA ASN A 33 11.169 -9.063 -1.932 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.793 -9.361 -0.431 1.00 0.80 H new ATOM 0 HB3 ASN A 33 13.133 -10.453 -1.632 1.00 0.80 H new ATOM 0 HD21 ASN A 33 15.767 -8.110 -3.092 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.720 -9.127 -1.649 1.00 1.78 H new ATOM 521 N CYS A 34 10.463 -8.817 0.945 1.00 0.47 N ATOM 522 CA CYS A 34 9.832 -9.341 2.138 1.00 0.41 C ATOM 523 C CYS A 34 8.365 -9.656 1.869 1.00 0.41 C ATOM 524 O CYS A 34 7.681 -8.901 1.175 1.00 0.48 O ATOM 525 CB CYS A 34 9.976 -8.336 3.280 1.00 0.38 C ATOM 526 SG CYS A 34 11.645 -8.263 3.974 1.00 1.16 S ATOM 0 H CYS A 34 10.292 -7.824 0.784 1.00 0.47 H new ATOM 0 HA CYS A 34 10.325 -10.269 2.427 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.698 -7.346 2.919 1.00 0.38 H new ATOM 0 HB3 CYS A 34 9.273 -8.595 4.072 1.00 0.38 H new ATOM 0 HG CYS A 34 11.916 -7.041 4.326 1.00 1.16 H new ATOM 532 N LYS A 35 7.902 -10.784 2.395 1.00 0.39 N ATOM 533 CA LYS A 35 6.518 -11.211 2.210 1.00 0.42 C ATOM 534 C LYS A 35 5.553 -10.325 2.991 1.00 0.38 C ATOM 535 O LYS A 35 5.244 -10.592 4.153 1.00 0.40 O ATOM 536 CB LYS A 35 6.340 -12.680 2.625 1.00 0.47 C ATOM 537 CG LYS A 35 7.206 -13.101 3.802 1.00 0.48 C ATOM 538 CD LYS A 35 6.851 -14.497 4.284 1.00 1.13 C ATOM 539 CE LYS A 35 8.089 -15.357 4.473 1.00 1.64 C ATOM 540 NZ LYS A 35 8.333 -16.246 3.306 1.00 2.49 N ATOM 0 H LYS A 35 8.467 -11.422 2.955 1.00 0.39 H new ATOM 0 HA LYS A 35 6.285 -11.115 1.149 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.294 -12.851 2.878 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.570 -13.318 1.772 1.00 0.47 H new ATOM 0 HG2 LYS A 35 8.256 -13.072 3.511 1.00 0.48 H new ATOM 0 HG3 LYS A 35 7.082 -12.390 4.619 1.00 0.48 H new ATOM 0 HD2 LYS A 35 6.307 -14.430 5.226 1.00 1.13 H new ATOM 0 HD3 LYS A 35 6.184 -14.972 3.564 1.00 1.13 H new ATOM 0 HE2 LYS A 35 8.956 -14.715 4.627 1.00 1.64 H new ATOM 0 HE3 LYS A 35 7.976 -15.962 5.373 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 9.187 -16.815 3.476 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 7.517 -16.877 3.173 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 8.467 -15.668 2.452 1.00 2.49 H new ATOM 554 N ILE A 36 5.103 -9.255 2.355 1.00 0.36 N ATOM 555 CA ILE A 36 4.158 -8.345 2.981 1.00 0.34 C ATOM 556 C ILE A 36 2.741 -8.849 2.775 1.00 0.33 C ATOM 557 O ILE A 36 2.304 -9.041 1.641 1.00 0.41 O ATOM 558 CB ILE A 36 4.258 -6.913 2.412 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.717 -6.470 2.309 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.460 -5.939 3.276 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.476 -6.548 3.614 1.00 0.66 C ATOM 0 H ILE A 36 5.377 -8.996 1.407 1.00 0.36 H new ATOM 0 HA ILE A 36 4.406 -8.310 4.042 1.00 0.34 H new ATOM 0 HB ILE A 36 3.833 -6.913 1.408 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.223 -7.090 1.569 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.750 -5.444 1.942 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.541 -4.934 2.861 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.413 -6.241 3.293 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.856 -5.945 4.292 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.503 -6.217 3.458 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.996 -5.906 4.353 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.477 -7.577 3.973 1.00 0.66 H new ATOM 573 N VAL A 37 2.036 -9.073 3.864 1.00 0.29 N ATOM 574 CA VAL A 37 0.664 -9.550 3.783 1.00 0.29 C ATOM 575 C VAL A 37 -0.298 -8.391 3.977 1.00 0.30 C ATOM 576 O VAL A 37 -0.137 -7.595 4.901 1.00 0.37 O ATOM 577 CB VAL A 37 0.357 -10.634 4.837 1.00 0.29 C ATOM 578 CG1 VAL A 37 -0.953 -11.343 4.523 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.501 -11.632 4.936 1.00 0.32 C ATOM 0 H VAL A 37 2.384 -8.935 4.813 1.00 0.29 H new ATOM 0 HA VAL A 37 0.538 -9.993 2.795 1.00 0.29 H new ATOM 0 HB VAL A 37 0.251 -10.142 5.804 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.146 -12.102 5.281 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.767 -10.618 4.519 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.885 -11.817 3.544 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.262 -12.387 5.685 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.648 -12.114 3.970 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.414 -11.111 5.224 1.00 0.32 H new ATOM 589 N THR A 38 -1.273 -8.290 3.091 1.00 0.25 N ATOM 590 CA THR A 38 -2.275 -7.242 3.160 1.00 0.26 C ATOM 591 C THR A 38 -3.647 -7.839 3.451 1.00 0.24 C ATOM 592 O THR A 38 -4.222 -8.520 2.608 1.00 0.23 O ATOM 593 CB THR A 38 -2.324 -6.448 1.844 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.017 -5.939 1.536 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.325 -5.307 1.932 1.00 0.30 C ATOM 0 H THR A 38 -1.392 -8.930 2.306 1.00 0.25 H new ATOM 0 HA THR A 38 -2.001 -6.564 3.968 1.00 0.26 H new ATOM 0 HB THR A 38 -2.647 -7.118 1.048 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.052 -5.435 0.696 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.339 -4.762 0.988 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.318 -5.709 2.134 1.00 0.30 H new ATOM 0 HG23 THR A 38 -3.036 -4.631 2.737 1.00 0.30 H new ATOM 603 N GLU A 39 -4.152 -7.615 4.653 1.00 0.25 N ATOM 604 CA GLU A 39 -5.461 -8.130 5.028 1.00 0.25 C ATOM 605 C GLU A 39 -6.510 -7.049 4.853 1.00 0.24 C ATOM 606 O GLU A 39 -6.451 -6.011 5.516 1.00 0.28 O ATOM 607 CB GLU A 39 -5.475 -8.619 6.474 1.00 0.28 C ATOM 608 CG GLU A 39 -4.439 -9.683 6.772 1.00 0.38 C ATOM 609 CD GLU A 39 -4.706 -10.387 8.082 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.324 -9.850 9.143 1.00 1.24 O ATOM 611 OE2 GLU A 39 -5.303 -11.483 8.060 1.00 1.39 O ATOM 0 H GLU A 39 -3.679 -7.083 5.383 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.686 -8.975 4.378 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.310 -7.769 7.136 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.464 -9.015 6.704 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.429 -10.414 5.964 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.450 -9.227 6.802 1.00 0.38 H new ATOM 618 N VAL A 40 -7.447 -7.288 3.954 1.00 0.20 N ATOM 619 CA VAL A 40 -8.512 -6.335 3.683 1.00 0.20 C ATOM 620 C VAL A 40 -9.855 -6.865 4.159 1.00 0.21 C ATOM 621 O VAL A 40 -10.221 -8.000 3.860 1.00 0.20 O ATOM 622 CB VAL A 40 -8.616 -6.018 2.177 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.749 -5.035 1.908 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.292 -5.484 1.652 1.00 0.22 C ATOM 0 H VAL A 40 -7.493 -8.140 3.395 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.262 -5.424 4.227 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.843 -6.942 1.646 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.803 -4.826 0.840 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.692 -5.467 2.242 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.563 -4.108 2.450 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.384 -5.266 0.588 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.029 -4.572 2.188 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.513 -6.231 1.803 1.00 0.22 H new ATOM 634 N VAL A 41 -10.569 -6.039 4.912 1.00 0.24 N ATOM 635 CA VAL A 41 -11.888 -6.382 5.414 1.00 0.27 C ATOM 636 C VAL A 41 -12.882 -5.352 4.890 1.00 0.29 C ATOM 637 O VAL A 41 -12.594 -4.152 4.906 1.00 0.31 O ATOM 638 CB VAL A 41 -11.926 -6.415 6.961 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.343 -6.662 7.463 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.971 -7.475 7.497 1.00 0.95 C ATOM 0 H VAL A 41 -10.248 -5.112 5.191 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.148 -7.382 5.066 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.602 -5.442 7.331 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.345 -6.681 8.553 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -13.997 -5.864 7.113 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.702 -7.618 7.083 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -11.011 -7.484 8.586 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.262 -8.454 7.115 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.955 -7.247 7.173 1.00 0.95 H new ATOM 650 N GLN A 42 -14.028 -5.810 4.404 1.00 0.31 N ATOM 651 CA GLN A 42 -15.026 -4.906 3.860 1.00 0.36 C ATOM 652 C GLN A 42 -16.111 -4.602 4.878 1.00 0.30 C ATOM 653 O GLN A 42 -16.863 -5.486 5.292 1.00 0.42 O ATOM 654 CB GLN A 42 -15.654 -5.483 2.593 1.00 0.53 C ATOM 655 CG GLN A 42 -16.651 -4.542 1.931 1.00 1.14 C ATOM 656 CD GLN A 42 -16.919 -4.897 0.481 1.00 1.35 C ATOM 657 OE1 GLN A 42 -16.059 -5.444 -0.207 1.00 2.06 O ATOM 658 NE2 GLN A 42 -18.105 -4.570 0.003 1.00 1.59 N ATOM 0 H GLN A 42 -14.286 -6.796 4.376 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.516 -3.976 3.610 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.864 -5.723 1.881 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -16.156 -6.419 2.839 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.589 -4.565 2.486 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.273 -3.521 1.987 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -18.791 -4.117 0.607 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.335 -4.770 -0.970 1.00 1.59 H new ATOM 667 N ASN A 43 -16.187 -3.344 5.274 1.00 0.30 N ATOM 668 CA ASN A 43 -17.185 -2.901 6.232 1.00 0.37 C ATOM 669 C ASN A 43 -17.932 -1.697 5.671 1.00 0.34 C ATOM 670 O ASN A 43 -17.603 -0.548 5.973 1.00 0.37 O ATOM 671 CB ASN A 43 -16.523 -2.553 7.571 1.00 0.53 C ATOM 672 CG ASN A 43 -17.513 -2.485 8.718 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.661 -2.080 8.544 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.074 -2.876 9.906 1.00 1.73 N ATOM 0 H ASN A 43 -15.565 -2.606 4.944 1.00 0.30 H new ATOM 0 HA ASN A 43 -17.897 -3.708 6.407 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -15.761 -3.299 7.799 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.013 -1.594 7.480 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -17.695 -2.847 10.714 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -16.115 -3.206 10.012 1.00 1.73 H new ATOM 681 N GLY A 44 -18.914 -1.971 4.819 1.00 0.35 N ATOM 682 CA GLY A 44 -19.693 -0.915 4.207 1.00 0.37 C ATOM 683 C GLY A 44 -18.899 -0.210 3.137 1.00 0.34 C ATOM 684 O GLY A 44 -18.892 -0.619 1.978 1.00 0.40 O ATOM 0 H GLY A 44 -19.185 -2.914 4.541 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.602 -1.333 3.775 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.002 -0.198 4.968 1.00 0.37 H new ATOM 688 N ASN A 45 -18.222 0.851 3.529 1.00 0.31 N ATOM 689 CA ASN A 45 -17.383 1.597 2.611 1.00 0.29 C ATOM 690 C ASN A 45 -16.045 1.870 3.267 1.00 0.28 C ATOM 691 O ASN A 45 -15.235 2.649 2.764 1.00 0.29 O ATOM 692 CB ASN A 45 -18.049 2.898 2.165 1.00 0.32 C ATOM 693 CG ASN A 45 -18.273 2.924 0.665 1.00 0.38 C ATOM 694 OD1 ASN A 45 -18.161 3.969 0.023 1.00 0.41 O ATOM 695 ND2 ASN A 45 -18.600 1.769 0.094 1.00 0.43 N ATOM 0 H ASN A 45 -18.237 1.217 4.481 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.231 0.997 1.714 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.004 3.013 2.678 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.427 3.744 2.455 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.768 1.727 -0.911 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -18.683 0.925 0.661 1.00 0.43 H new ATOM 702 N ASP A 46 -15.830 1.223 4.403 1.00 0.30 N ATOM 703 CA ASP A 46 -14.586 1.361 5.140 1.00 0.29 C ATOM 704 C ASP A 46 -13.754 0.102 4.949 1.00 0.28 C ATOM 705 O ASP A 46 -14.117 -0.968 5.438 1.00 0.36 O ATOM 706 CB ASP A 46 -14.872 1.585 6.632 1.00 0.33 C ATOM 707 CG ASP A 46 -13.635 1.961 7.435 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.303 3.166 7.498 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.007 1.067 8.031 1.00 1.36 O ATOM 0 H ASP A 46 -16.507 0.594 4.835 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.036 2.223 4.764 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.618 2.373 6.737 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.306 0.677 7.051 1.00 0.33 H new ATOM 714 N PHE A 47 -12.669 0.221 4.204 1.00 0.23 N ATOM 715 CA PHE A 47 -11.788 -0.905 3.963 1.00 0.23 C ATOM 716 C PHE A 47 -10.579 -0.828 4.876 1.00 0.23 C ATOM 717 O PHE A 47 -9.940 0.222 4.996 1.00 0.24 O ATOM 718 CB PHE A 47 -11.351 -0.945 2.500 1.00 0.25 C ATOM 719 CG PHE A 47 -12.465 -1.291 1.555 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.302 -0.305 1.055 1.00 0.81 C ATOM 721 CD2 PHE A 47 -12.677 -2.602 1.170 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.330 -0.625 0.189 1.00 0.82 C ATOM 723 CE2 PHE A 47 -13.702 -2.928 0.305 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.530 -1.937 -0.187 1.00 0.34 C ATOM 0 H PHE A 47 -12.378 1.089 3.755 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.333 -1.824 4.181 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -10.939 0.026 2.225 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.549 -1.675 2.388 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.149 0.724 1.346 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.033 -3.381 1.551 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -14.976 0.151 -0.193 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -13.857 -3.956 0.013 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.332 -2.189 -0.865 1.00 0.34 H new ATOM 734 N THR A 48 -10.284 -1.929 5.535 1.00 0.26 N ATOM 735 CA THR A 48 -9.153 -1.985 6.434 1.00 0.27 C ATOM 736 C THR A 48 -7.918 -2.507 5.714 1.00 0.28 C ATOM 737 O THR A 48 -7.929 -3.609 5.171 1.00 0.38 O ATOM 738 CB THR A 48 -9.445 -2.893 7.637 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.775 -4.207 7.179 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.591 -2.340 8.466 1.00 0.56 C ATOM 0 H THR A 48 -10.813 -2.798 5.464 1.00 0.26 H new ATOM 0 HA THR A 48 -8.971 -0.970 6.787 1.00 0.27 H new ATOM 0 HB THR A 48 -8.553 -2.934 8.263 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.648 -4.849 7.908 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.779 -3.000 9.313 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.330 -1.347 8.832 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.488 -2.275 7.850 1.00 0.56 H new ATOM 748 N TRP A 49 -6.868 -1.709 5.694 1.00 0.23 N ATOM 749 CA TRP A 49 -5.636 -2.115 5.057 1.00 0.23 C ATOM 750 C TRP A 49 -4.622 -2.520 6.116 1.00 0.23 C ATOM 751 O TRP A 49 -4.127 -1.680 6.871 1.00 0.24 O ATOM 752 CB TRP A 49 -5.084 -0.984 4.190 1.00 0.25 C ATOM 753 CG TRP A 49 -4.880 -1.356 2.749 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.691 -1.430 2.081 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.894 -1.688 1.791 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.901 -1.797 0.773 1.00 0.38 N ATOM 757 CE2 TRP A 49 -5.245 -1.959 0.571 1.00 0.36 C ATOM 758 CE3 TRP A 49 -7.287 -1.784 1.848 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.938 -2.321 -0.581 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.976 -2.140 0.704 1.00 0.38 C ATOM 761 CH2 TRP A 49 -7.302 -2.404 -0.497 1.00 0.42 C ATOM 0 H TRP A 49 -6.846 -0.778 6.111 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.835 -2.970 4.411 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.766 -0.136 4.241 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.133 -0.653 4.606 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.724 -1.229 2.518 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -3.175 -1.927 0.069 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.815 -1.584 2.769 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -5.419 -2.528 -1.505 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -9.053 -2.216 0.736 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.870 -2.678 -1.373 1.00 0.42 H new ATOM 772 N THR A 50 -4.347 -3.808 6.192 1.00 0.22 N ATOM 773 CA THR A 50 -3.400 -4.322 7.165 1.00 0.24 C ATOM 774 C THR A 50 -2.146 -4.835 6.484 1.00 0.25 C ATOM 775 O THR A 50 -2.218 -5.734 5.653 1.00 0.35 O ATOM 776 CB THR A 50 -4.012 -5.469 7.983 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.389 -5.193 8.278 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.239 -5.683 9.274 1.00 0.28 C ATOM 0 H THR A 50 -4.766 -4.519 5.592 1.00 0.22 H new ATOM 0 HA THR A 50 -3.147 -3.495 7.829 1.00 0.24 H new ATOM 0 HB THR A 50 -3.952 -6.380 7.387 1.00 0.26 H new ATOM 0 HG1 THR A 50 -5.938 -5.393 7.492 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.690 -6.500 9.837 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.203 -5.931 9.041 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.268 -4.771 9.871 1.00 0.28 H new ATOM 786 N GLN A 51 -1.004 -4.258 6.829 1.00 0.22 N ATOM 787 CA GLN A 51 0.262 -4.682 6.260 1.00 0.23 C ATOM 788 C GLN A 51 1.094 -5.393 7.312 1.00 0.22 C ATOM 789 O GLN A 51 1.488 -4.798 8.316 1.00 0.24 O ATOM 790 CB GLN A 51 1.050 -3.487 5.718 1.00 0.27 C ATOM 791 CG GLN A 51 0.828 -3.226 4.238 1.00 0.56 C ATOM 792 CD GLN A 51 -0.572 -2.737 3.938 1.00 0.71 C ATOM 793 OE1 GLN A 51 -1.156 -1.968 4.698 1.00 1.62 O ATOM 794 NE2 GLN A 51 -1.130 -3.211 2.840 1.00 0.82 N ATOM 0 H GLN A 51 -0.931 -3.494 7.501 1.00 0.22 H new ATOM 0 HA GLN A 51 0.047 -5.363 5.437 1.00 0.23 H new ATOM 0 HB2 GLN A 51 0.772 -2.595 6.280 1.00 0.27 H new ATOM 0 HB3 GLN A 51 2.113 -3.655 5.892 1.00 0.27 H new ATOM 0 HG2 GLN A 51 1.550 -2.486 3.891 1.00 0.56 H new ATOM 0 HG3 GLN A 51 1.017 -4.142 3.679 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -0.609 -3.847 2.237 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -2.082 -2.941 2.594 1.00 0.82 H new ATOM 803 N HIS A 52 1.384 -6.653 7.062 1.00 0.22 N ATOM 804 CA HIS A 52 2.174 -7.445 7.982 1.00 0.23 C ATOM 805 C HIS A 52 3.596 -7.563 7.492 1.00 0.23 C ATOM 806 O HIS A 52 3.845 -7.832 6.314 1.00 0.26 O ATOM 807 CB HIS A 52 1.566 -8.832 8.166 1.00 0.24 C ATOM 808 CG HIS A 52 0.254 -8.821 8.892 1.00 0.26 C ATOM 809 ND1 HIS A 52 0.187 -8.628 10.249 1.00 0.34 N ATOM 810 CD2 HIS A 52 -0.998 -8.990 8.406 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.100 -8.682 10.558 1.00 0.37 C ATOM 812 NE2 HIS A 52 -1.855 -8.903 9.473 1.00 0.35 N ATOM 0 H HIS A 52 1.083 -7.153 6.225 1.00 0.22 H new ATOM 0 HA HIS A 52 2.176 -6.938 8.947 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.426 -9.291 7.187 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.270 -9.458 8.714 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.270 -9.161 7.375 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.491 -8.563 11.558 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -2.871 -8.990 9.446 1.00 0.35 H new ATOM 820 N PHE A 53 4.519 -7.358 8.405 1.00 0.25 N ATOM 821 CA PHE A 53 5.926 -7.421 8.095 1.00 0.27 C ATOM 822 C PHE A 53 6.557 -8.624 8.784 1.00 0.31 C ATOM 823 O PHE A 53 6.423 -8.783 9.998 1.00 0.34 O ATOM 824 CB PHE A 53 6.602 -6.129 8.552 1.00 0.24 C ATOM 825 CG PHE A 53 7.893 -5.851 7.858 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.989 -5.983 6.491 1.00 1.13 C ATOM 827 CD2 PHE A 53 9.006 -5.460 8.573 1.00 1.20 C ATOM 828 CE1 PHE A 53 9.177 -5.729 5.839 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.199 -5.202 7.934 1.00 1.23 C ATOM 830 CZ PHE A 53 10.286 -5.339 6.564 1.00 0.34 C ATOM 0 H PHE A 53 4.314 -7.143 9.381 1.00 0.25 H new ATOM 0 HA PHE A 53 6.059 -7.532 7.019 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.922 -5.294 8.384 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.781 -6.183 9.626 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.123 -6.289 5.922 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.941 -5.355 9.646 1.00 1.20 H new ATOM 0 HE1 PHE A 53 9.240 -5.835 4.766 1.00 1.13 H new ATOM 0 HE2 PHE A 53 11.063 -4.894 8.504 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.220 -5.142 6.059 1.00 0.34 H new ATOM 840 N PRO A 54 7.230 -9.501 8.015 1.00 0.35 N ATOM 841 CA PRO A 54 7.879 -10.695 8.566 1.00 0.41 C ATOM 842 C PRO A 54 8.985 -10.344 9.549 1.00 0.39 C ATOM 843 O PRO A 54 10.000 -9.752 9.172 1.00 0.37 O ATOM 844 CB PRO A 54 8.471 -11.393 7.333 1.00 0.46 C ATOM 845 CG PRO A 54 8.534 -10.349 6.274 1.00 0.45 C ATOM 846 CD PRO A 54 7.406 -9.399 6.558 1.00 0.39 C ATOM 0 HA PRO A 54 7.176 -11.314 9.124 1.00 0.41 H new ATOM 0 HB2 PRO A 54 9.462 -11.794 7.547 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.848 -12.231 7.020 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.493 -9.832 6.293 1.00 0.45 H new ATOM 0 HG3 PRO A 54 8.430 -10.792 5.283 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.652 -8.382 6.254 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.499 -9.681 6.023 1.00 0.39 H new ATOM 854 N GLY A 55 8.785 -10.719 10.802 1.00 0.43 N ATOM 855 CA GLY A 55 9.764 -10.439 11.831 1.00 0.46 C ATOM 856 C GLY A 55 9.964 -8.953 12.081 1.00 0.41 C ATOM 857 O GLY A 55 11.050 -8.535 12.477 1.00 0.43 O ATOM 0 H GLY A 55 7.956 -11.216 11.127 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.453 -10.918 12.759 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.717 -10.884 11.547 1.00 0.46 H new ATOM 861 N GLY A 56 8.928 -8.153 11.841 1.00 0.37 N ATOM 862 CA GLY A 56 9.042 -6.726 12.051 1.00 0.34 C ATOM 863 C GLY A 56 7.747 -6.081 12.499 1.00 0.35 C ATOM 864 O GLY A 56 6.803 -6.767 12.901 1.00 0.41 O ATOM 0 H GLY A 56 8.017 -8.469 11.507 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.812 -6.536 12.799 1.00 0.34 H new ATOM 0 HA3 GLY A 56 9.373 -6.255 11.126 1.00 0.34 H new ATOM 868 N ARG A 57 7.703 -4.750 12.421 1.00 0.34 N ATOM 869 CA ARG A 57 6.532 -3.975 12.830 1.00 0.38 C ATOM 870 C ARG A 57 5.387 -4.107 11.829 1.00 0.31 C ATOM 871 O ARG A 57 5.605 -4.185 10.621 1.00 0.28 O ATOM 872 CB ARG A 57 6.904 -2.491 13.005 1.00 0.45 C ATOM 873 CG ARG A 57 7.199 -1.761 11.699 1.00 0.43 C ATOM 874 CD ARG A 57 6.051 -0.844 11.291 1.00 0.53 C ATOM 875 NE ARG A 57 5.955 0.341 12.150 1.00 1.58 N ATOM 876 CZ ARG A 57 5.030 1.296 12.008 1.00 2.33 C ATOM 877 NH1 ARG A 57 4.111 1.204 11.053 1.00 2.27 N ATOM 878 NH2 ARG A 57 5.020 2.342 12.829 1.00 3.34 N ATOM 0 H ARG A 57 8.475 -4.181 12.074 1.00 0.34 H new ATOM 0 HA ARG A 57 6.193 -4.378 13.784 1.00 0.38 H new ATOM 0 HB2 ARG A 57 6.087 -1.981 13.516 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.778 -2.421 13.652 1.00 0.45 H new ATOM 0 HG2 ARG A 57 8.111 -1.175 11.808 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.381 -2.489 10.909 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.189 -0.530 10.256 1.00 0.53 H new ATOM 0 HD3 ARG A 57 5.113 -1.398 11.333 1.00 0.53 H new ATOM 0 HE ARG A 57 6.636 0.443 12.902 1.00 1.58 H new ATOM 0 HH11 ARG A 57 4.109 0.402 10.423 1.00 2.27 H new ATOM 0 HH12 ARG A 57 3.408 1.936 10.950 1.00 2.27 H new ATOM 0 HH21 ARG A 57 5.719 2.417 13.568 1.00 3.34 H new ATOM 0 HH22 ARG A 57 4.314 3.070 12.719 1.00 3.34 H new ATOM 892 N THR A 58 4.171 -4.131 12.344 1.00 0.36 N ATOM 893 CA THR A 58 2.990 -4.245 11.508 1.00 0.31 C ATOM 894 C THR A 58 2.291 -2.885 11.396 1.00 0.28 C ATOM 895 O THR A 58 2.526 -1.988 12.212 1.00 0.33 O ATOM 896 CB THR A 58 2.014 -5.320 12.058 1.00 0.35 C ATOM 897 OG1 THR A 58 1.031 -5.656 11.071 1.00 0.34 O ATOM 898 CG2 THR A 58 1.321 -4.847 13.329 1.00 0.39 C ATOM 0 H THR A 58 3.975 -4.073 13.343 1.00 0.36 H new ATOM 0 HA THR A 58 3.304 -4.562 10.514 1.00 0.31 H new ATOM 0 HB THR A 58 2.604 -6.205 12.298 1.00 0.35 H new ATOM 0 HG1 THR A 58 1.333 -5.349 10.191 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.645 -5.624 13.686 1.00 0.39 H new ATOM 0 HG22 THR A 58 2.068 -4.636 14.094 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.753 -3.941 13.118 1.00 0.39 H new ATOM 906 N THR A 59 1.472 -2.722 10.365 1.00 0.25 N ATOM 907 CA THR A 59 0.753 -1.475 10.145 1.00 0.27 C ATOM 908 C THR A 59 -0.697 -1.763 9.768 1.00 0.24 C ATOM 909 O THR A 59 -0.972 -2.701 9.024 1.00 0.36 O ATOM 910 CB THR A 59 1.421 -0.643 9.034 1.00 0.32 C ATOM 911 OG1 THR A 59 2.834 -0.901 9.016 1.00 0.49 O ATOM 912 CG2 THR A 59 1.176 0.842 9.247 1.00 0.48 C ATOM 0 H THR A 59 1.289 -3.441 9.665 1.00 0.25 H new ATOM 0 HA THR A 59 0.779 -0.902 11.072 1.00 0.27 H new ATOM 0 HB THR A 59 0.983 -0.932 8.079 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.004 -1.759 8.575 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.658 1.408 8.450 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.104 1.039 9.236 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.590 1.145 10.209 1.00 0.48 H new ATOM 920 N THR A 60 -1.625 -0.984 10.301 1.00 0.26 N ATOM 921 CA THR A 60 -3.036 -1.183 10.007 1.00 0.23 C ATOM 922 C THR A 60 -3.787 0.140 9.967 1.00 0.22 C ATOM 923 O THR A 60 -3.909 0.828 10.981 1.00 0.26 O ATOM 924 CB THR A 60 -3.700 -2.100 11.053 1.00 0.25 C ATOM 925 OG1 THR A 60 -2.810 -3.171 11.397 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.011 -2.671 10.527 1.00 0.24 C ATOM 0 H THR A 60 -1.428 -0.211 10.937 1.00 0.26 H new ATOM 0 HA THR A 60 -3.088 -1.655 9.026 1.00 0.23 H new ATOM 0 HB THR A 60 -3.916 -1.504 11.940 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.321 -3.906 11.796 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.458 -3.314 11.285 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.695 -1.855 10.294 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.819 -3.253 9.625 1.00 0.24 H new ATOM 934 N ASN A 61 -4.281 0.495 8.792 1.00 0.25 N ATOM 935 CA ASN A 61 -5.040 1.729 8.619 1.00 0.26 C ATOM 936 C ASN A 61 -6.346 1.458 7.900 1.00 0.29 C ATOM 937 O ASN A 61 -6.375 0.805 6.858 1.00 0.51 O ATOM 938 CB ASN A 61 -4.237 2.812 7.866 1.00 0.36 C ATOM 939 CG ASN A 61 -3.267 2.272 6.824 1.00 0.87 C ATOM 940 OD1 ASN A 61 -2.193 2.832 6.624 1.00 1.43 O ATOM 941 ND2 ASN A 61 -3.644 1.208 6.131 1.00 1.72 N ATOM 0 H ASN A 61 -4.171 -0.054 7.939 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.251 2.112 9.618 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.936 3.489 7.376 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -3.678 3.402 8.592 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -3.035 0.830 5.405 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -4.543 0.767 6.323 1.00 1.72 H new ATOM 948 N SER A 62 -7.422 1.949 8.478 1.00 0.21 N ATOM 949 CA SER A 62 -8.742 1.778 7.917 1.00 0.25 C ATOM 950 C SER A 62 -9.206 3.089 7.298 1.00 0.23 C ATOM 951 O SER A 62 -8.950 4.166 7.847 1.00 0.29 O ATOM 952 CB SER A 62 -9.686 1.324 9.020 1.00 0.34 C ATOM 953 OG SER A 62 -9.639 2.214 10.125 1.00 1.04 O ATOM 0 H SER A 62 -7.404 2.478 9.350 1.00 0.21 H new ATOM 0 HA SER A 62 -8.729 1.022 7.132 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.704 1.271 8.634 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.415 0.319 9.345 1.00 0.34 H new ATOM 0 HG SER A 62 -10.255 1.904 10.821 1.00 1.04 H new ATOM 959 N PHE A 63 -9.885 3.010 6.166 1.00 0.18 N ATOM 960 CA PHE A 63 -10.344 4.210 5.484 1.00 0.17 C ATOM 961 C PHE A 63 -11.731 4.037 4.890 1.00 0.18 C ATOM 962 O PHE A 63 -12.074 2.974 4.378 1.00 0.24 O ATOM 963 CB PHE A 63 -9.352 4.587 4.375 1.00 0.17 C ATOM 964 CG PHE A 63 -9.103 3.481 3.385 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.107 2.547 3.605 1.00 0.86 C ATOM 966 CD2 PHE A 63 -9.879 3.374 2.244 1.00 0.88 C ATOM 967 CE1 PHE A 63 -7.887 1.527 2.703 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.667 2.355 1.340 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.669 1.430 1.568 1.00 0.23 C ATOM 0 H PHE A 63 -10.130 2.135 5.702 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.400 5.007 6.225 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.730 5.460 3.843 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.404 4.876 4.830 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.495 2.617 4.492 1.00 0.86 H new ATOM 0 HD2 PHE A 63 -10.660 4.097 2.060 1.00 0.88 H new ATOM 0 HE1 PHE A 63 -7.104 0.805 2.884 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.281 2.281 0.455 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.499 0.632 0.861 1.00 0.23 H new ATOM 979 N THR A 64 -12.528 5.085 4.967 1.00 0.17 N ATOM 980 CA THR A 64 -13.858 5.057 4.403 1.00 0.19 C ATOM 981 C THR A 64 -13.870 5.866 3.111 1.00 0.18 C ATOM 982 O THR A 64 -13.351 6.981 3.070 1.00 0.19 O ATOM 983 CB THR A 64 -14.919 5.619 5.377 1.00 0.21 C ATOM 984 OG1 THR A 64 -15.027 4.792 6.542 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.276 5.717 4.693 1.00 0.22 C ATOM 0 H THR A 64 -12.275 5.966 5.415 1.00 0.17 H new ATOM 0 HA THR A 64 -14.116 4.016 4.206 1.00 0.19 H new ATOM 0 HB THR A 64 -14.600 6.616 5.680 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.144 4.436 6.773 1.00 0.25 H new ATOM 0 HG21 THR A 64 -17.009 6.115 5.395 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.202 6.380 3.831 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.589 4.727 4.363 1.00 0.22 H new ATOM 993 N ILE A 65 -14.414 5.282 2.054 1.00 0.18 N ATOM 994 CA ILE A 65 -14.500 5.956 0.770 1.00 0.18 C ATOM 995 C ILE A 65 -15.257 7.283 0.897 1.00 0.21 C ATOM 996 O ILE A 65 -16.390 7.326 1.390 1.00 0.24 O ATOM 997 CB ILE A 65 -15.188 5.064 -0.281 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.481 3.707 -0.387 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.221 5.762 -1.626 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.018 3.793 -0.797 1.00 0.19 C ATOM 0 H ILE A 65 -14.803 4.339 2.062 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.481 6.161 0.441 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.215 4.885 0.037 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.547 3.200 0.576 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.013 3.089 -1.110 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.710 5.119 -2.358 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.774 6.697 -1.537 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.202 5.973 -1.952 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.595 2.790 -0.848 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.941 4.269 -1.775 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.468 4.382 -0.063 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.590 8.354 0.466 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.120 9.719 0.497 1.00 0.23 C ATOM 1014 C ASP A 66 -15.131 10.240 1.931 1.00 0.23 C ATOM 1015 O ASP A 66 -15.956 11.069 2.315 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.519 9.801 -0.136 1.00 0.27 C ATOM 1017 CG ASP A 66 -16.766 11.123 -0.842 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.444 12.189 -0.279 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -17.289 11.103 -1.976 1.00 1.10 O ATOM 0 H ASP A 66 -13.648 8.297 0.078 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.465 10.353 -0.101 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.639 8.985 -0.849 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.273 9.661 0.639 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.214 9.716 2.730 1.00 0.21 N ATOM 1025 CA LYS A 67 -14.087 10.109 4.120 1.00 0.22 C ATOM 1026 C LYS A 67 -12.612 10.235 4.511 1.00 0.21 C ATOM 1027 O LYS A 67 -11.758 9.531 3.967 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.798 9.080 4.996 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.513 9.215 6.481 1.00 0.25 C ATOM 1030 CD LYS A 67 -15.197 10.432 7.086 1.00 0.35 C ATOM 1031 CE LYS A 67 -14.715 10.676 8.502 1.00 1.15 C ATOM 1032 NZ LYS A 67 -15.475 11.765 9.168 1.00 1.59 N ATOM 0 H LYS A 67 -13.541 9.010 2.432 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.551 11.084 4.266 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.873 9.165 4.836 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.506 8.081 4.672 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.850 8.316 6.998 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -13.437 9.289 6.638 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.995 11.310 6.473 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -16.277 10.285 7.086 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -14.813 9.758 9.082 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -13.655 10.931 8.486 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -15.114 11.900 10.134 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -15.361 12.647 8.630 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -16.483 11.511 9.207 1.00 1.59 H new ATOM 1046 N GLU A 68 -12.317 11.156 5.424 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.951 11.340 5.906 1.00 0.26 C ATOM 1048 C GLU A 68 -10.548 10.127 6.734 1.00 0.23 C ATOM 1049 O GLU A 68 -11.355 9.596 7.498 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.838 12.609 6.757 1.00 0.34 C ATOM 1051 CG GLU A 68 -11.705 12.575 8.006 1.00 1.35 C ATOM 1052 CD GLU A 68 -11.559 13.805 8.878 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -10.674 13.816 9.756 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -12.349 14.757 8.708 1.00 2.51 O ATOM 0 H GLU A 68 -13.002 11.784 5.844 1.00 0.24 H new ATOM 0 HA GLU A 68 -10.286 11.445 5.049 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -9.797 12.751 7.049 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.119 13.471 6.151 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -12.749 12.471 7.711 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -11.450 11.692 8.592 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.319 9.677 6.582 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.862 8.518 7.325 1.00 0.18 C ATOM 1063 C ALA A 69 -7.486 8.728 7.936 1.00 0.21 C ATOM 1064 O ALA A 69 -6.601 9.337 7.329 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.847 7.293 6.429 1.00 0.18 C ATOM 0 H ALA A 69 -8.625 10.090 5.959 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.564 8.366 8.145 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.502 6.430 6.998 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.853 7.103 6.056 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.175 7.465 5.588 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.332 8.210 9.146 1.00 0.20 N ATOM 1072 CA ASP A 70 -6.081 8.287 9.884 1.00 0.24 C ATOM 1073 C ASP A 70 -5.165 7.168 9.400 1.00 0.22 C ATOM 1074 O ASP A 70 -5.459 5.988 9.602 1.00 0.25 O ATOM 1075 CB ASP A 70 -6.356 8.141 11.384 1.00 0.31 C ATOM 1076 CG ASP A 70 -5.371 8.900 12.236 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -4.316 8.334 12.584 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -5.652 10.065 12.574 1.00 1.87 O ATOM 0 H ASP A 70 -8.076 7.722 9.645 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.601 9.251 9.715 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -7.364 8.495 11.600 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -6.324 7.085 11.653 1.00 0.31 H new ATOM 1083 N MET A 71 -4.069 7.524 8.756 1.00 0.20 N ATOM 1084 CA MET A 71 -3.169 6.523 8.210 1.00 0.20 C ATOM 1085 C MET A 71 -1.770 6.613 8.802 1.00 0.22 C ATOM 1086 O MET A 71 -1.432 7.563 9.511 1.00 0.26 O ATOM 1087 CB MET A 71 -3.076 6.682 6.703 1.00 0.22 C ATOM 1088 CG MET A 71 -4.422 6.684 6.019 1.00 0.19 C ATOM 1089 SD MET A 71 -4.375 7.493 4.418 1.00 0.20 S ATOM 1090 CE MET A 71 -6.125 7.556 4.089 1.00 0.20 C ATOM 0 H MET A 71 -3.781 8.490 8.599 1.00 0.20 H new ATOM 0 HA MET A 71 -3.582 5.548 8.470 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.558 7.614 6.474 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.470 5.872 6.296 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.764 5.657 5.894 1.00 0.19 H new ATOM 0 HG3 MET A 71 -5.149 7.187 6.656 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.292 7.934 3.080 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.548 6.555 4.177 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.607 8.218 4.809 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.975 5.600 8.497 1.00 0.24 N ATOM 1101 CA GLU A 72 0.404 5.518 8.942 1.00 0.25 C ATOM 1102 C GLU A 72 1.149 4.565 8.019 1.00 0.26 C ATOM 1103 O GLU A 72 0.591 3.558 7.593 1.00 0.29 O ATOM 1104 CB GLU A 72 0.487 5.034 10.397 1.00 0.28 C ATOM 1105 CG GLU A 72 1.861 4.508 10.787 1.00 0.30 C ATOM 1106 CD GLU A 72 2.210 4.757 12.239 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.322 5.160 13.016 1.00 1.32 O ATOM 1108 OE2 GLU A 72 3.383 4.544 12.618 1.00 1.47 O ATOM 0 H GLU A 72 -1.272 4.806 7.929 1.00 0.24 H new ATOM 0 HA GLU A 72 0.859 6.508 8.904 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.220 5.857 11.060 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.251 4.247 10.552 1.00 0.28 H new ATOM 0 HG2 GLU A 72 1.901 3.437 10.590 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.615 4.977 10.154 1.00 0.30 H new ATOM 1115 N THR A 73 2.388 4.891 7.683 1.00 0.26 N ATOM 1116 CA THR A 73 3.173 4.036 6.802 1.00 0.28 C ATOM 1117 C THR A 73 3.983 3.027 7.601 1.00 0.30 C ATOM 1118 O THR A 73 3.909 2.986 8.827 1.00 0.36 O ATOM 1119 CB THR A 73 4.139 4.854 5.926 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.166 5.438 6.742 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.394 5.943 5.177 1.00 0.32 C ATOM 0 H THR A 73 2.869 5.732 8.002 1.00 0.26 H new ATOM 0 HA THR A 73 2.462 3.516 6.160 1.00 0.28 H new ATOM 0 HB THR A 73 4.595 4.183 5.198 1.00 0.28 H new ATOM 0 HG1 THR A 73 5.934 5.675 6.181 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.096 6.509 4.564 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.636 5.491 4.537 1.00 0.32 H new ATOM 0 HG23 THR A 73 2.914 6.613 5.891 1.00 0.32 H new ATOM 1129 N MET A 74 4.780 2.232 6.903 1.00 0.32 N ATOM 1130 CA MET A 74 5.613 1.232 7.548 1.00 0.34 C ATOM 1131 C MET A 74 6.906 1.873 8.039 1.00 0.31 C ATOM 1132 O MET A 74 7.725 1.228 8.691 1.00 0.37 O ATOM 1133 CB MET A 74 5.920 0.083 6.585 1.00 0.42 C ATOM 1134 CG MET A 74 4.677 -0.610 6.043 1.00 0.76 C ATOM 1135 SD MET A 74 5.065 -2.025 4.990 1.00 0.93 S ATOM 1136 CE MET A 74 4.962 -3.368 6.171 1.00 1.05 C ATOM 0 H MET A 74 4.867 2.261 5.887 1.00 0.32 H new ATOM 0 HA MET A 74 5.072 0.825 8.402 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.504 0.468 5.749 1.00 0.42 H new ATOM 0 HB3 MET A 74 6.541 -0.652 7.097 1.00 0.42 H new ATOM 0 HG2 MET A 74 4.060 -0.943 6.877 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.085 0.108 5.475 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.804 -4.307 5.641 1.00 1.05 H new ATOM 0 HE2 MET A 74 5.890 -3.424 6.740 1.00 1.05 H new ATOM 0 HE3 MET A 74 4.129 -3.191 6.852 1.00 1.05 H new ATOM 1146 N GLY A 75 7.085 3.152 7.708 1.00 0.28 N ATOM 1147 CA GLY A 75 8.265 3.875 8.133 1.00 0.31 C ATOM 1148 C GLY A 75 8.021 4.608 9.433 1.00 0.35 C ATOM 1149 O GLY A 75 8.960 4.987 10.134 1.00 0.48 O ATOM 0 H GLY A 75 6.428 3.698 7.151 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.096 3.180 8.255 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.556 4.587 7.361 1.00 0.31 H new ATOM 1153 N GLY A 76 6.748 4.800 9.758 1.00 0.34 N ATOM 1154 CA GLY A 76 6.381 5.486 10.984 1.00 0.39 C ATOM 1155 C GLY A 76 5.791 6.861 10.746 1.00 0.38 C ATOM 1156 O GLY A 76 5.760 7.689 11.658 1.00 0.48 O ATOM 0 H GLY A 76 5.959 4.491 9.191 1.00 0.34 H new ATOM 0 HA2 GLY A 76 5.660 4.878 11.531 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.263 5.581 11.617 1.00 0.39 H new ATOM 1160 N ARG A 77 5.321 7.114 9.532 1.00 0.38 N ATOM 1161 CA ARG A 77 4.728 8.407 9.210 1.00 0.38 C ATOM 1162 C ARG A 77 3.261 8.421 9.598 1.00 0.37 C ATOM 1163 O ARG A 77 2.498 7.569 9.149 1.00 0.36 O ATOM 1164 CB ARG A 77 4.830 8.718 7.716 1.00 0.37 C ATOM 1165 CG ARG A 77 6.154 8.375 7.083 1.00 0.39 C ATOM 1166 CD ARG A 77 6.030 8.372 5.572 1.00 0.43 C ATOM 1167 NE ARG A 77 6.246 9.692 4.991 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.293 10.006 4.232 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.235 9.101 3.979 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.388 11.227 3.722 1.00 0.85 N ATOM 0 H ARG A 77 5.338 6.448 8.759 1.00 0.38 H new ATOM 0 HA ARG A 77 5.280 9.161 9.770 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.043 8.175 7.193 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.638 9.781 7.567 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.910 9.097 7.391 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.488 7.397 7.429 1.00 0.39 H new ATOM 0 HD2 ARG A 77 6.752 7.672 5.153 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.039 8.013 5.293 1.00 0.43 H new ATOM 0 HE ARG A 77 5.554 10.417 5.177 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.157 8.161 4.367 1.00 0.80 H new ATOM 0 HH12 ARG A 77 9.035 9.347 3.397 1.00 0.80 H new ATOM 0 HH21 ARG A 77 6.662 11.917 3.913 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.187 11.476 3.139 1.00 0.85 H new ATOM 1184 N LYS A 78 2.872 9.371 10.429 1.00 0.42 N ATOM 1185 CA LYS A 78 1.484 9.496 10.845 1.00 0.43 C ATOM 1186 C LYS A 78 0.843 10.645 10.082 1.00 0.39 C ATOM 1187 O LYS A 78 1.306 11.783 10.158 1.00 0.44 O ATOM 1188 CB LYS A 78 1.381 9.745 12.352 1.00 0.57 C ATOM 1189 CG LYS A 78 1.813 8.563 13.209 1.00 0.75 C ATOM 1190 CD LYS A 78 3.313 8.578 13.478 1.00 1.12 C ATOM 1191 CE LYS A 78 3.673 7.773 14.720 1.00 1.69 C ATOM 1192 NZ LYS A 78 3.146 6.381 14.669 1.00 1.76 N ATOM 0 H LYS A 78 3.498 10.069 10.831 1.00 0.42 H new ATOM 0 HA LYS A 78 0.963 8.564 10.625 1.00 0.43 H new ATOM 0 HB2 LYS A 78 1.993 10.609 12.609 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.350 10.000 12.597 1.00 0.57 H new ATOM 0 HG2 LYS A 78 1.274 8.584 14.156 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.543 7.633 12.709 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.841 8.171 12.616 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.650 9.607 13.602 1.00 1.12 H new ATOM 0 HE2 LYS A 78 4.757 7.744 14.829 1.00 1.69 H new ATOM 0 HE3 LYS A 78 3.277 8.276 15.602 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.221 5.947 15.611 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 2.149 6.398 14.374 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 3.700 5.825 13.986 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.226 10.351 9.362 1.00 0.33 N ATOM 1207 CA PHE A 79 -0.898 11.359 8.557 1.00 0.31 C ATOM 1208 C PHE A 79 -2.372 11.029 8.358 1.00 0.28 C ATOM 1209 O PHE A 79 -2.853 9.988 8.796 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.208 11.458 7.194 1.00 0.31 C ATOM 1211 CG PHE A 79 -0.145 10.144 6.470 1.00 0.28 C ATOM 1212 CD1 PHE A 79 0.855 9.237 6.760 1.00 1.07 C ATOM 1213 CD2 PHE A 79 -1.093 9.806 5.520 1.00 1.17 C ATOM 1214 CE1 PHE A 79 0.916 8.021 6.122 1.00 1.09 C ATOM 1215 CE2 PHE A 79 -1.041 8.583 4.877 1.00 1.16 C ATOM 1216 CZ PHE A 79 -0.034 7.686 5.178 1.00 0.26 C ATOM 0 H PHE A 79 -0.648 9.423 9.318 1.00 0.33 H new ATOM 0 HA PHE A 79 -0.836 12.311 9.084 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.739 12.182 6.576 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.804 11.839 7.332 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.601 9.487 7.500 1.00 1.07 H new ATOM 0 HD2 PHE A 79 -1.881 10.504 5.279 1.00 1.17 H new ATOM 0 HE1 PHE A 79 1.708 7.327 6.360 1.00 1.09 H new ATOM 0 HE2 PHE A 79 -1.788 8.329 4.139 1.00 1.16 H new ATOM 0 HZ PHE A 79 0.010 6.730 4.678 1.00 0.26 H new ATOM 1226 N LYS A 80 -3.082 11.938 7.707 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.497 11.750 7.423 1.00 0.33 C ATOM 1228 C LYS A 80 -4.761 12.092 5.965 1.00 0.27 C ATOM 1229 O LYS A 80 -4.237 13.080 5.449 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.374 12.627 8.334 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.251 12.316 9.823 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.075 13.049 10.447 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.117 13.007 11.967 1.00 1.64 C ATOM 1234 NZ LYS A 80 -3.635 11.710 12.507 1.00 2.55 N ATOM 0 H LYS A 80 -2.699 12.819 7.364 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.755 10.709 7.616 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -5.112 13.673 8.172 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -6.416 12.509 8.036 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -6.171 12.601 10.333 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -5.128 11.242 9.963 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -3.144 12.603 10.098 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -4.076 14.087 10.113 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -3.505 13.815 12.368 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -5.138 13.182 12.305 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -2.976 11.884 13.292 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -4.444 11.155 12.851 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -3.147 11.181 11.756 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.566 11.284 5.301 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.865 11.510 3.898 1.00 0.20 C ATOM 1250 C ALA A 81 -7.266 11.036 3.554 1.00 0.19 C ATOM 1251 O ALA A 81 -7.871 10.263 4.298 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.826 10.810 3.030 1.00 0.21 C ATOM 0 H ALA A 81 -6.023 10.468 5.708 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.825 12.581 3.701 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.055 10.982 1.978 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.836 11.207 3.256 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.843 9.739 3.234 1.00 0.21 H new ATOM 1258 N THR A 82 -7.786 11.522 2.438 1.00 0.19 N ATOM 1259 CA THR A 82 -9.113 11.143 1.983 1.00 0.19 C ATOM 1260 C THR A 82 -8.996 10.139 0.839 1.00 0.20 C ATOM 1261 O THR A 82 -8.202 10.331 -0.090 1.00 0.28 O ATOM 1262 CB THR A 82 -9.917 12.373 1.512 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.425 13.556 2.153 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.401 12.205 1.816 1.00 0.25 C ATOM 0 H THR A 82 -7.306 12.183 1.828 1.00 0.19 H new ATOM 0 HA THR A 82 -9.643 10.691 2.821 1.00 0.19 H new ATOM 0 HB THR A 82 -9.793 12.465 0.433 1.00 0.23 H new ATOM 0 HG1 THR A 82 -9.940 14.332 1.847 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.944 13.086 1.474 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.780 11.322 1.301 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.541 12.087 2.890 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.765 9.066 0.917 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.740 8.032 -0.102 1.00 0.15 C ATOM 1274 C VAL A 83 -11.099 7.929 -0.773 1.00 0.16 C ATOM 1275 O VAL A 83 -12.116 8.066 -0.114 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.373 6.660 0.499 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.273 5.610 -0.590 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.076 6.750 1.284 1.00 0.19 C ATOM 0 H VAL A 83 -10.418 8.888 1.680 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.981 8.308 -0.834 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.165 6.362 1.186 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.013 4.649 -0.146 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.231 5.526 -1.103 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.503 5.899 -1.305 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.834 5.772 1.700 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.272 7.072 0.622 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.190 7.471 2.094 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.110 7.692 -2.073 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.357 7.570 -2.819 1.00 0.19 C ATOM 1290 C LYS A 84 -12.267 6.378 -3.768 1.00 0.19 C ATOM 1291 O LYS A 84 -11.277 5.646 -3.753 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.634 8.864 -3.591 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.491 9.261 -4.499 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.248 10.754 -4.494 1.00 0.42 C ATOM 1295 CE LYS A 84 -9.862 11.077 -5.027 1.00 0.49 C ATOM 1296 NZ LYS A 84 -9.653 12.542 -5.161 1.00 1.14 N ATOM 0 H LYS A 84 -10.268 7.579 -2.638 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.183 7.404 -2.127 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.539 8.740 -4.186 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.826 9.670 -2.883 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.583 8.746 -4.184 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.707 8.933 -5.516 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.002 11.252 -5.104 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -11.352 11.141 -3.480 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.109 10.662 -4.358 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.725 10.599 -5.997 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -8.697 12.724 -5.527 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -10.356 12.934 -5.819 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -9.759 12.994 -4.231 1.00 1.14 H new ATOM 1310 N MET A 85 -13.292 6.169 -4.575 1.00 0.21 N ATOM 1311 CA MET A 85 -13.296 5.059 -5.511 1.00 0.22 C ATOM 1312 C MET A 85 -13.543 5.551 -6.931 1.00 0.28 C ATOM 1313 O MET A 85 -14.199 6.571 -7.136 1.00 0.41 O ATOM 1314 CB MET A 85 -14.355 4.038 -5.108 1.00 0.23 C ATOM 1315 CG MET A 85 -13.775 2.726 -4.616 1.00 0.21 C ATOM 1316 SD MET A 85 -15.041 1.571 -4.054 1.00 0.26 S ATOM 1317 CE MET A 85 -14.061 0.486 -3.019 1.00 0.25 C ATOM 0 H MET A 85 -14.129 6.751 -4.601 1.00 0.21 H new ATOM 0 HA MET A 85 -12.317 4.580 -5.484 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.981 4.466 -4.325 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.003 3.842 -5.962 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.199 2.265 -5.418 1.00 0.21 H new ATOM 0 HG3 MET A 85 -13.081 2.924 -3.799 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.707 -0.266 -2.566 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.301 -0.006 -3.625 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.578 1.069 -2.235 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.002 4.838 -7.908 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.163 5.209 -9.305 1.00 0.32 C ATOM 1329 C GLU A 86 -13.504 3.992 -10.162 1.00 0.29 C ATOM 1330 O GLU A 86 -12.639 3.433 -10.841 1.00 0.36 O ATOM 1331 CB GLU A 86 -11.889 5.884 -9.828 1.00 0.48 C ATOM 1332 CG GLU A 86 -10.608 5.274 -9.277 1.00 1.22 C ATOM 1333 CD GLU A 86 -9.462 5.305 -10.263 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -9.592 5.965 -11.311 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -8.424 4.661 -9.997 1.00 2.46 O ATOM 0 H GLU A 86 -12.446 3.996 -7.757 1.00 0.26 H new ATOM 0 HA GLU A 86 -13.991 5.915 -9.372 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -11.874 5.820 -10.916 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -11.917 6.943 -9.572 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -10.317 5.811 -8.374 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.801 4.241 -8.986 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.760 3.575 -10.116 1.00 0.37 N ATOM 1343 CA GLY A 87 -15.189 2.436 -10.908 1.00 0.46 C ATOM 1344 C GLY A 87 -14.695 1.110 -10.361 1.00 0.38 C ATOM 1345 O GLY A 87 -14.126 0.305 -11.096 1.00 0.36 O ATOM 0 H GLY A 87 -15.490 4.002 -9.546 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -16.278 2.421 -10.952 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -14.831 2.556 -11.930 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.913 0.883 -9.072 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.490 -0.363 -8.451 1.00 0.33 C ATOM 1351 C GLY A 88 -13.000 -0.397 -8.153 1.00 0.27 C ATOM 1352 O GLY A 88 -12.431 -1.460 -7.913 1.00 0.32 O ATOM 0 H GLY A 88 -15.376 1.539 -8.442 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -15.045 -0.508 -7.524 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.744 -1.195 -9.108 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.369 0.767 -8.188 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.943 0.888 -7.905 1.00 0.19 C ATOM 1358 C LYS A 89 -10.741 1.943 -6.832 1.00 0.17 C ATOM 1359 O LYS A 89 -11.218 3.068 -6.970 1.00 0.20 O ATOM 1360 CB LYS A 89 -10.150 1.262 -9.165 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.522 0.451 -10.401 1.00 0.28 C ATOM 1362 CD LYS A 89 -9.479 0.578 -11.510 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.190 2.028 -11.861 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.861 2.470 -11.355 1.00 1.76 N ATOM 0 H LYS A 89 -12.826 1.651 -8.412 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.573 -0.077 -7.558 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.305 2.320 -9.378 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -9.087 1.130 -8.964 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.631 -0.598 -10.126 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -11.490 0.785 -10.775 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.556 0.091 -11.196 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -9.830 0.054 -12.399 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.226 2.153 -12.943 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.968 2.665 -11.440 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -7.991 3.066 -10.513 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.290 1.637 -11.105 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.372 3.015 -12.093 1.00 1.76 H new ATOM 1378 N ILE A 90 -10.084 1.572 -5.749 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.836 2.505 -4.661 1.00 0.16 C ATOM 1380 C ILE A 90 -8.679 3.439 -4.996 1.00 0.17 C ATOM 1381 O ILE A 90 -7.566 2.986 -5.257 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.527 1.768 -3.343 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.543 0.647 -3.117 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.543 2.744 -2.186 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.635 0.164 -1.681 1.00 0.20 C ATOM 0 H ILE A 90 -9.713 0.634 -5.597 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.747 3.090 -4.531 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.533 1.325 -3.408 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.526 0.995 -3.434 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -10.282 -0.197 -3.755 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.324 2.214 -1.259 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.790 3.515 -2.350 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.527 3.207 -2.114 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.378 -0.630 -1.611 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.665 -0.218 -1.363 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -10.928 0.993 -1.036 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.950 4.738 -4.991 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.936 5.734 -5.287 1.00 0.17 C ATOM 1399 C VAL A 91 -7.713 6.655 -4.092 1.00 0.16 C ATOM 1400 O VAL A 91 -8.654 7.235 -3.543 1.00 0.16 O ATOM 1401 CB VAL A 91 -8.296 6.579 -6.535 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.649 7.251 -6.391 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -7.218 7.615 -6.814 1.00 0.25 C ATOM 0 H VAL A 91 -9.871 5.125 -4.783 1.00 0.15 H new ATOM 0 HA VAL A 91 -7.016 5.191 -5.501 1.00 0.17 H new ATOM 0 HB VAL A 91 -8.355 5.895 -7.382 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.863 7.833 -7.287 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.420 6.492 -6.259 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.637 7.911 -5.524 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -7.492 8.197 -7.694 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -7.121 8.280 -5.956 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -6.268 7.112 -6.992 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.463 6.768 -3.680 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.110 7.628 -2.569 1.00 0.19 C ATOM 1415 C ALA A 92 -5.517 8.923 -3.089 1.00 0.20 C ATOM 1416 O ALA A 92 -4.711 8.912 -4.026 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.139 6.930 -1.639 1.00 0.22 C ATOM 0 H ALA A 92 -5.676 6.274 -4.100 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.012 7.857 -2.002 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.887 7.593 -0.812 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.598 6.022 -1.249 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.232 6.672 -2.186 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.913 10.032 -2.490 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.426 11.332 -2.914 1.00 0.26 C ATOM 1425 C ASP A 93 -4.269 11.795 -2.049 1.00 0.22 C ATOM 1426 O ASP A 93 -4.393 11.909 -0.826 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.551 12.358 -2.873 1.00 0.37 C ATOM 1428 CG ASP A 93 -6.097 13.751 -3.264 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -6.125 14.068 -4.472 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -5.716 14.538 -2.371 1.00 1.19 O ATOM 0 H ASP A 93 -6.569 10.058 -1.710 1.00 0.22 H new ATOM 0 HA ASP A 93 -5.067 11.236 -3.939 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.349 12.040 -3.544 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -6.972 12.388 -1.868 1.00 0.37 H new ATOM 1435 N PHE A 94 -3.150 12.051 -2.699 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.942 12.501 -2.022 1.00 0.21 C ATOM 1437 C PHE A 94 -1.170 13.470 -2.905 1.00 0.24 C ATOM 1438 O PHE A 94 -1.248 13.398 -4.134 1.00 0.26 O ATOM 1439 CB PHE A 94 -1.032 11.318 -1.679 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.527 10.467 -0.553 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.277 10.825 0.759 1.00 1.26 C ATOM 1442 CD2 PHE A 94 -2.248 9.317 -0.810 1.00 1.14 C ATOM 1443 CE1 PHE A 94 -1.740 10.048 1.799 1.00 1.27 C ATOM 1444 CE2 PHE A 94 -2.714 8.536 0.225 1.00 1.14 C ATOM 1445 CZ PHE A 94 -2.462 8.902 1.530 1.00 0.25 C ATOM 0 H PHE A 94 -3.049 11.954 -3.709 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.247 12.999 -1.102 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.916 10.695 -2.566 1.00 0.21 H new ATOM 0 HB3 PHE A 94 -0.043 11.698 -1.424 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.714 11.722 0.971 1.00 1.26 H new ATOM 0 HD2 PHE A 94 -2.448 9.028 -1.831 1.00 1.14 H new ATOM 0 HE1 PHE A 94 -1.539 10.334 2.821 1.00 1.27 H new ATOM 0 HE2 PHE A 94 -3.276 7.638 0.014 1.00 1.14 H new ATOM 0 HZ PHE A 94 -2.829 8.292 2.342 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.410 14.389 -2.294 1.00 0.26 N ATOM 1456 CA PRO A 95 0.385 15.360 -3.039 1.00 0.29 C ATOM 1457 C PRO A 95 1.605 14.709 -3.694 1.00 0.26 C ATOM 1458 O PRO A 95 2.518 14.245 -3.003 1.00 0.27 O ATOM 1459 CB PRO A 95 0.814 16.362 -1.965 1.00 0.36 C ATOM 1460 CG PRO A 95 0.787 15.610 -0.680 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.282 14.562 -0.828 1.00 0.28 C ATOM 0 HA PRO A 95 -0.172 15.815 -3.858 1.00 0.29 H new ATOM 0 HB2 PRO A 95 1.811 16.753 -2.169 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.137 17.216 -1.933 1.00 0.36 H new ATOM 0 HG2 PRO A 95 1.755 15.152 -0.477 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.567 16.275 0.155 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.002 13.630 -0.339 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -1.222 14.884 -0.380 1.00 0.28 H new ATOM 1469 N ASN A 96 1.599 14.676 -5.027 1.00 0.27 N ATOM 1470 CA ASN A 96 2.687 14.089 -5.819 1.00 0.29 C ATOM 1471 C ASN A 96 2.772 12.575 -5.592 1.00 0.28 C ATOM 1472 O ASN A 96 3.771 11.939 -5.924 1.00 0.37 O ATOM 1473 CB ASN A 96 4.027 14.759 -5.484 1.00 0.35 C ATOM 1474 CG ASN A 96 4.837 15.088 -6.718 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.631 14.278 -7.189 1.00 1.27 O ATOM 1476 ND2 ASN A 96 4.638 16.282 -7.249 1.00 1.50 N ATOM 0 H ASN A 96 0.839 15.056 -5.592 1.00 0.27 H new ATOM 0 HA ASN A 96 2.469 14.265 -6.872 1.00 0.29 H new ATOM 0 HB2 ASN A 96 3.841 15.674 -4.921 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.607 14.100 -4.838 1.00 0.35 H new ATOM 0 HD21 ASN A 96 5.154 16.562 -8.083 1.00 1.50 H new ATOM 0 HD22 ASN A 96 3.968 16.924 -6.825 1.00 1.50 H new ATOM 1483 N TYR A 97 1.705 12.013 -5.039 1.00 0.23 N ATOM 1484 CA TYR A 97 1.624 10.584 -4.761 1.00 0.21 C ATOM 1485 C TYR A 97 0.242 10.083 -5.170 1.00 0.21 C ATOM 1486 O TYR A 97 -0.774 10.658 -4.786 1.00 0.24 O ATOM 1487 CB TYR A 97 1.878 10.321 -3.271 1.00 0.22 C ATOM 1488 CG TYR A 97 2.180 8.876 -2.918 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.264 7.859 -3.173 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.381 8.529 -2.307 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.538 6.544 -2.839 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.661 7.217 -1.968 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.735 6.228 -2.236 1.00 0.32 C ATOM 1494 OH TYR A 97 3.006 4.919 -1.891 1.00 0.38 O ATOM 0 H TYR A 97 0.871 12.535 -4.770 1.00 0.23 H new ATOM 0 HA TYR A 97 2.385 10.050 -5.331 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.713 10.941 -2.945 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.003 10.642 -2.706 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.321 8.101 -3.641 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.108 9.298 -2.093 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.816 5.769 -3.050 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.600 6.967 -1.496 1.00 1.14 H new ATOM 0 HH TYR A 97 3.892 4.867 -1.476 1.00 0.38 H new ATOM 1504 N HIS A 98 0.212 9.029 -5.960 1.00 0.21 N ATOM 1505 CA HIS A 98 -1.041 8.457 -6.428 1.00 0.22 C ATOM 1506 C HIS A 98 -1.085 6.970 -6.117 1.00 0.21 C ATOM 1507 O HIS A 98 -0.263 6.213 -6.620 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.190 8.691 -7.937 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.602 8.607 -8.426 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -3.527 9.614 -8.234 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.250 7.632 -9.109 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -4.678 9.259 -8.776 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -4.536 8.061 -9.314 1.00 1.09 N ATOM 0 H HIS A 98 1.046 8.546 -6.295 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.869 8.944 -5.913 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.788 9.674 -8.184 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -0.587 7.956 -8.470 1.00 0.25 H new ATOM 0 HD2 HIS A 98 -2.831 6.691 -9.432 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -5.583 9.849 -8.779 1.00 1.09 H new ATOM 0 HE2 HIS A 98 -5.264 7.540 -9.802 1.00 1.09 H new ATOM 1522 N HIS A 99 -2.025 6.560 -5.281 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.149 5.155 -4.912 1.00 0.22 C ATOM 1524 C HIS A 99 -3.513 4.608 -5.318 1.00 0.21 C ATOM 1525 O HIS A 99 -4.544 5.120 -4.879 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.957 4.983 -3.402 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.659 3.571 -2.982 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.367 3.133 -2.793 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.514 2.552 -2.717 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.469 1.866 -2.418 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.747 1.473 -2.360 1.00 0.49 N ATOM 0 H HIS A 99 -2.712 7.175 -4.845 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.375 4.598 -5.440 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.143 5.629 -3.074 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.858 5.321 -2.890 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.592 2.584 -2.776 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.373 1.230 -2.188 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -2.086 0.547 -2.100 1.00 0.49 H new ATOM 1539 N THR A 100 -3.514 3.588 -6.162 1.00 0.22 N ATOM 1540 CA THR A 100 -4.750 2.965 -6.608 1.00 0.22 C ATOM 1541 C THR A 100 -4.691 1.455 -6.448 1.00 0.23 C ATOM 1542 O THR A 100 -3.685 0.826 -6.786 1.00 0.31 O ATOM 1543 CB THR A 100 -5.049 3.296 -8.079 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.897 3.028 -8.889 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.448 4.750 -8.229 1.00 0.24 C ATOM 0 H THR A 100 -2.669 3.173 -6.553 1.00 0.22 H new ATOM 0 HA THR A 100 -5.547 3.367 -5.982 1.00 0.22 H new ATOM 0 HB THR A 100 -5.877 2.668 -8.409 1.00 0.23 H new ATOM 0 HG1 THR A 100 -4.098 3.240 -9.824 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.655 4.964 -9.277 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.341 4.945 -7.635 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.635 5.388 -7.882 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.769 0.884 -5.932 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.857 -0.554 -5.736 1.00 0.23 C ATOM 1555 C ALA A 101 -6.989 -1.131 -6.572 1.00 0.22 C ATOM 1556 O ALA A 101 -8.125 -0.651 -6.515 1.00 0.23 O ATOM 1557 CB ALA A 101 -6.068 -0.875 -4.264 1.00 0.26 C ATOM 0 H ALA A 101 -6.600 1.399 -5.640 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.920 -1.008 -6.059 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -6.132 -1.955 -4.133 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.231 -0.488 -3.684 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.993 -0.412 -3.920 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.677 -2.154 -7.355 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.665 -2.794 -8.209 1.00 0.23 C ATOM 1565 C GLU A 102 -7.350 -4.275 -8.388 1.00 0.24 C ATOM 1566 O GLU A 102 -6.272 -4.746 -8.015 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.726 -2.097 -9.570 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.374 -1.957 -10.251 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.269 -0.687 -11.079 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.369 0.420 -10.507 1.00 1.18 O ATOM 1571 OE2 GLU A 102 -6.104 -0.789 -12.313 1.00 1.38 O ATOM 0 H GLU A 102 -5.743 -2.559 -7.416 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.638 -2.707 -7.726 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.395 -2.656 -10.224 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -8.161 -1.106 -9.441 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.588 -1.961 -9.496 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.203 -2.821 -10.893 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.289 -4.993 -8.980 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.144 -6.418 -9.213 1.00 0.29 C ATOM 1580 C ILE A 103 -7.984 -6.666 -10.701 1.00 0.31 C ATOM 1581 O ILE A 103 -8.892 -6.391 -11.484 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.358 -7.223 -8.695 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.686 -6.844 -7.243 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.086 -8.718 -8.811 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.553 -7.099 -6.273 1.00 0.37 C ATOM 0 H ILE A 103 -9.172 -4.604 -9.312 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.264 -6.754 -8.665 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.223 -6.977 -9.311 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.953 -5.788 -7.205 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.562 -7.407 -6.920 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -9.948 -9.274 -8.443 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -8.907 -8.975 -9.855 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.208 -8.975 -8.218 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -8.861 -6.807 -5.269 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.299 -8.159 -6.280 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.682 -6.515 -6.570 1.00 0.37 H new ATOM 1597 N SER A 104 -6.831 -7.170 -11.093 1.00 0.34 N ATOM 1598 CA SER A 104 -6.565 -7.422 -12.497 1.00 0.38 C ATOM 1599 C SER A 104 -5.962 -8.808 -12.684 1.00 0.48 C ATOM 1600 O SER A 104 -4.792 -9.040 -12.375 1.00 0.88 O ATOM 1601 CB SER A 104 -5.635 -6.334 -13.038 1.00 0.55 C ATOM 1602 OG SER A 104 -6.049 -5.056 -12.590 1.00 1.37 O ATOM 0 H SER A 104 -6.066 -7.412 -10.463 1.00 0.34 H new ATOM 0 HA SER A 104 -7.500 -7.393 -13.057 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.613 -6.526 -12.711 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.632 -6.360 -14.128 1.00 0.55 H new ATOM 0 HG SER A 104 -5.442 -4.373 -12.944 1.00 1.37 H new ATOM 1608 N GLY A 105 -6.779 -9.734 -13.162 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.326 -11.095 -13.375 1.00 0.64 C ATOM 1610 C GLY A 105 -6.465 -11.929 -12.121 1.00 0.63 C ATOM 1611 O GLY A 105 -5.715 -12.885 -11.913 1.00 0.96 O ATOM 0 H GLY A 105 -7.755 -9.567 -13.408 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -6.902 -11.549 -14.181 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.284 -11.087 -13.694 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.436 -11.562 -11.288 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.660 -12.272 -10.044 1.00 0.50 C ATOM 1617 C GLY A 106 -6.577 -11.964 -9.038 1.00 0.44 C ATOM 1618 O GLY A 106 -6.357 -12.721 -8.095 1.00 0.48 O ATOM 0 H GLY A 106 -8.073 -10.783 -11.455 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.631 -11.995 -9.634 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -7.689 -13.345 -10.234 1.00 0.50 H new ATOM 1622 N LYS A 107 -5.908 -10.835 -9.241 1.00 0.38 N ATOM 1623 CA LYS A 107 -4.822 -10.416 -8.372 1.00 0.35 C ATOM 1624 C LYS A 107 -4.962 -8.952 -8.007 1.00 0.32 C ATOM 1625 O LYS A 107 -5.520 -8.158 -8.770 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.476 -10.637 -9.063 1.00 0.34 C ATOM 1627 CG LYS A 107 -2.894 -12.025 -8.859 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.234 -12.540 -10.127 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.434 -13.806 -9.867 1.00 0.75 C ATOM 1630 NZ LYS A 107 -1.302 -14.638 -11.091 1.00 1.22 N ATOM 0 H LYS A 107 -6.103 -10.191 -10.007 1.00 0.38 H new ATOM 0 HA LYS A 107 -4.867 -11.015 -7.463 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.595 -10.458 -10.132 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -2.765 -9.899 -8.693 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.163 -12.000 -8.051 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.684 -12.711 -8.553 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.997 -12.739 -10.880 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.577 -11.771 -10.534 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -0.443 -13.540 -9.500 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -1.919 -14.388 -9.083 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 -0.750 -15.492 -10.872 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -2.247 -14.913 -11.427 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 -0.816 -14.092 -11.831 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.435 -8.601 -6.851 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.474 -7.237 -6.365 1.00 0.28 C ATOM 1646 C LEU A 108 -3.206 -6.527 -6.810 1.00 0.27 C ATOM 1647 O LEU A 108 -2.105 -6.917 -6.430 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.598 -7.240 -4.831 1.00 0.29 C ATOM 1649 CG LEU A 108 -4.720 -5.876 -4.132 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -3.348 -5.265 -3.886 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -5.592 -4.922 -4.928 1.00 0.76 C ATOM 0 H LEU A 108 -3.968 -9.254 -6.222 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.337 -6.710 -6.772 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.471 -7.835 -4.564 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.726 -7.752 -4.423 1.00 0.29 H new ATOM 0 HG LEU A 108 -5.199 -6.044 -3.168 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -3.463 -4.301 -3.391 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -2.761 -5.931 -3.253 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -2.836 -5.125 -4.838 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -5.657 -3.967 -4.406 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -5.155 -4.767 -5.915 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -6.590 -5.346 -5.036 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.362 -5.517 -7.634 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.221 -4.768 -8.115 1.00 0.29 C ATOM 1665 C VAL A 109 -2.361 -3.299 -7.745 1.00 0.29 C ATOM 1666 O VAL A 109 -3.322 -2.632 -8.134 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.026 -4.944 -9.640 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.299 -4.612 -10.405 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -0.855 -4.104 -10.136 1.00 0.32 C ATOM 0 H VAL A 109 -4.264 -5.195 -7.985 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.328 -5.163 -7.630 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.795 -5.993 -9.827 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.127 -4.746 -11.473 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.102 -5.274 -10.081 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.581 -3.577 -10.210 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -0.737 -4.243 -11.211 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.047 -3.052 -9.926 1.00 0.32 H new ATOM 0 HG23 VAL A 109 0.057 -4.415 -9.627 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.417 -2.816 -6.958 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.419 -1.431 -6.522 1.00 0.30 C ATOM 1681 C GLU A 110 -0.389 -0.629 -7.293 1.00 0.28 C ATOM 1682 O GLU A 110 0.703 -1.120 -7.593 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.116 -1.322 -5.026 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.165 -1.956 -4.132 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.685 -2.119 -2.703 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -0.896 -3.055 -2.443 1.00 1.45 O ATOM 1687 OE2 GLU A 110 -2.084 -1.306 -1.843 1.00 1.69 O ATOM 0 H GLU A 110 -0.634 -3.367 -6.606 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.415 -1.030 -6.713 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.153 -1.792 -4.827 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -1.018 -0.269 -4.762 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.066 -1.342 -4.142 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.439 -2.931 -4.534 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.752 0.593 -7.629 1.00 0.26 N ATOM 1695 CA ILE A 111 0.133 1.487 -8.343 1.00 0.24 C ATOM 1696 C ILE A 111 0.337 2.763 -7.538 1.00 0.25 C ATOM 1697 O ILE A 111 -0.625 3.461 -7.209 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.407 1.841 -9.751 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.384 0.614 -10.670 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.415 2.959 -10.368 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.675 -0.170 -10.687 1.00 0.37 C ATOM 0 H ILE A 111 -1.666 0.992 -7.415 1.00 0.26 H new ATOM 0 HA ILE A 111 1.084 0.971 -8.473 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.439 2.175 -9.641 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.155 0.938 -11.685 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.425 -0.046 -10.356 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.023 3.196 -11.357 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.359 3.844 -9.734 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.454 2.641 -10.456 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.575 -1.021 -11.361 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -1.897 -0.528 -9.681 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.486 0.472 -11.031 1.00 0.37 H new ATOM 1713 N SER A 112 1.587 3.038 -7.202 1.00 0.23 N ATOM 1714 CA SER A 112 1.941 4.226 -6.440 1.00 0.24 C ATOM 1715 C SER A 112 2.898 5.103 -7.242 1.00 0.22 C ATOM 1716 O SER A 112 4.053 4.742 -7.467 1.00 0.25 O ATOM 1717 CB SER A 112 2.581 3.833 -5.106 1.00 0.28 C ATOM 1718 OG SER A 112 1.948 2.693 -4.548 1.00 0.37 O ATOM 0 H SER A 112 2.382 2.448 -7.448 1.00 0.23 H new ATOM 0 HA SER A 112 1.031 4.791 -6.238 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.641 3.627 -5.255 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.514 4.667 -4.408 1.00 0.28 H new ATOM 0 HG SER A 112 1.197 2.978 -3.986 1.00 0.37 H new ATOM 1724 N THR A 113 2.401 6.238 -7.694 1.00 0.22 N ATOM 1725 CA THR A 113 3.209 7.164 -8.465 1.00 0.22 C ATOM 1726 C THR A 113 3.766 8.263 -7.571 1.00 0.23 C ATOM 1727 O THR A 113 3.051 8.791 -6.721 1.00 0.26 O ATOM 1728 CB THR A 113 2.389 7.806 -9.592 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.206 7.031 -9.833 1.00 0.27 O ATOM 1730 CG2 THR A 113 3.212 7.906 -10.867 1.00 0.27 C ATOM 0 H THR A 113 1.440 6.542 -7.540 1.00 0.22 H new ATOM 0 HA THR A 113 4.031 6.595 -8.900 1.00 0.22 H new ATOM 0 HB THR A 113 2.106 8.813 -9.285 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.684 7.445 -10.552 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.611 8.364 -11.653 1.00 0.27 H new ATOM 0 HG22 THR A 113 4.095 8.517 -10.683 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.520 6.908 -11.180 1.00 0.27 H new ATOM 1738 N SER A 114 5.037 8.580 -7.750 1.00 0.25 N ATOM 1739 CA SER A 114 5.683 9.622 -6.968 1.00 0.30 C ATOM 1740 C SER A 114 6.742 10.346 -7.795 1.00 0.29 C ATOM 1741 O SER A 114 7.767 9.762 -8.153 1.00 0.30 O ATOM 1742 CB SER A 114 6.305 9.032 -5.706 1.00 0.38 C ATOM 1743 OG SER A 114 5.307 8.492 -4.861 1.00 1.43 O ATOM 0 H SER A 114 5.645 8.129 -8.433 1.00 0.25 H new ATOM 0 HA SER A 114 4.924 10.348 -6.677 1.00 0.30 H new ATOM 0 HB2 SER A 114 7.019 8.254 -5.976 1.00 0.38 H new ATOM 0 HB3 SER A 114 6.861 9.804 -5.173 1.00 0.38 H new ATOM 0 HG SER A 114 5.623 7.646 -4.481 1.00 1.43 H new ATOM 1749 N SER A 115 6.458 11.605 -8.115 1.00 0.37 N ATOM 1750 CA SER A 115 7.365 12.452 -8.885 1.00 0.47 C ATOM 1751 C SER A 115 7.761 11.825 -10.226 1.00 0.47 C ATOM 1752 O SER A 115 8.880 12.015 -10.704 1.00 0.57 O ATOM 1753 CB SER A 115 8.604 12.778 -8.048 1.00 0.54 C ATOM 1754 OG SER A 115 8.244 13.363 -6.805 1.00 0.63 O ATOM 0 H SER A 115 5.590 12.069 -7.847 1.00 0.37 H new ATOM 0 HA SER A 115 6.834 13.374 -9.121 1.00 0.47 H new ATOM 0 HB2 SER A 115 9.177 11.868 -7.872 1.00 0.54 H new ATOM 0 HB3 SER A 115 9.250 13.460 -8.600 1.00 0.54 H new ATOM 0 HG SER A 115 7.330 13.713 -6.860 1.00 0.63 H new ATOM 1760 N GLY A 116 6.837 11.085 -10.832 1.00 0.42 N ATOM 1761 CA GLY A 116 7.112 10.476 -12.117 1.00 0.46 C ATOM 1762 C GLY A 116 7.350 8.979 -12.043 1.00 0.40 C ATOM 1763 O GLY A 116 7.113 8.266 -13.018 1.00 0.46 O ATOM 0 H GLY A 116 5.907 10.898 -10.457 1.00 0.42 H new ATOM 0 HA2 GLY A 116 6.275 10.669 -12.788 1.00 0.46 H new ATOM 0 HA3 GLY A 116 7.988 10.953 -12.555 1.00 0.46 H new ATOM 1767 N VAL A 117 7.813 8.491 -10.899 1.00 0.33 N ATOM 1768 CA VAL A 117 8.082 7.067 -10.744 1.00 0.29 C ATOM 1769 C VAL A 117 6.810 6.304 -10.390 1.00 0.28 C ATOM 1770 O VAL A 117 6.110 6.659 -9.443 1.00 0.29 O ATOM 1771 CB VAL A 117 9.157 6.806 -9.665 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.339 5.315 -9.432 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.474 7.450 -10.064 1.00 0.53 C ATOM 0 H VAL A 117 8.009 9.054 -10.072 1.00 0.33 H new ATOM 0 HA VAL A 117 8.458 6.709 -11.702 1.00 0.29 H new ATOM 0 HB VAL A 117 8.820 7.255 -8.731 1.00 0.30 H new ATOM 0 HG11 VAL A 117 10.101 5.156 -8.669 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.396 4.881 -9.100 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.651 4.837 -10.361 1.00 0.52 H new ATOM 0 HG21 VAL A 117 11.221 7.257 -9.294 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.812 7.030 -11.011 1.00 0.53 H new ATOM 0 HG23 VAL A 117 10.335 8.526 -10.173 1.00 0.53 H new ATOM 1783 N VAL A 118 6.512 5.271 -11.168 1.00 0.27 N ATOM 1784 CA VAL A 118 5.333 4.456 -10.933 1.00 0.27 C ATOM 1785 C VAL A 118 5.718 3.097 -10.337 1.00 0.25 C ATOM 1786 O VAL A 118 6.319 2.248 -10.995 1.00 0.29 O ATOM 1787 CB VAL A 118 4.509 4.264 -12.228 1.00 0.29 C ATOM 1788 CG1 VAL A 118 5.354 3.676 -13.347 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.291 3.401 -11.965 1.00 0.86 C ATOM 0 H VAL A 118 7.074 4.980 -11.968 1.00 0.27 H new ATOM 0 HA VAL A 118 4.708 4.986 -10.214 1.00 0.27 H new ATOM 0 HB VAL A 118 4.172 5.248 -12.553 1.00 0.29 H new ATOM 0 HG11 VAL A 118 4.742 3.555 -14.241 1.00 0.97 H new ATOM 0 HG12 VAL A 118 6.186 4.346 -13.565 1.00 0.97 H new ATOM 0 HG13 VAL A 118 5.741 2.705 -13.039 1.00 0.97 H new ATOM 0 HG21 VAL A 118 2.725 3.279 -12.889 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.609 2.424 -11.602 1.00 0.86 H new ATOM 0 HG23 VAL A 118 2.661 3.879 -11.215 1.00 0.86 H new ATOM 1799 N TYR A 119 5.379 2.914 -9.076 1.00 0.22 N ATOM 1800 CA TYR A 119 5.677 1.677 -8.374 1.00 0.21 C ATOM 1801 C TYR A 119 4.479 0.738 -8.422 1.00 0.22 C ATOM 1802 O TYR A 119 3.407 1.059 -7.915 1.00 0.29 O ATOM 1803 CB TYR A 119 6.066 1.981 -6.924 1.00 0.22 C ATOM 1804 CG TYR A 119 6.086 0.777 -6.008 1.00 0.21 C ATOM 1805 CD1 TYR A 119 6.957 -0.283 -6.223 1.00 1.17 C ATOM 1806 CD2 TYR A 119 5.232 0.711 -4.915 1.00 1.21 C ATOM 1807 CE1 TYR A 119 6.975 -1.374 -5.373 1.00 1.20 C ATOM 1808 CE2 TYR A 119 5.244 -0.373 -4.063 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.114 -1.413 -4.295 1.00 0.34 C ATOM 1810 OH TYR A 119 6.129 -2.496 -3.442 1.00 0.43 O ATOM 0 H TYR A 119 4.893 3.611 -8.511 1.00 0.22 H new ATOM 0 HA TYR A 119 6.516 1.184 -8.865 1.00 0.21 H new ATOM 0 HB2 TYR A 119 7.053 2.442 -6.916 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.368 2.715 -6.521 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.631 -0.255 -7.067 1.00 1.17 H new ATOM 0 HD2 TYR A 119 4.546 1.524 -4.729 1.00 1.21 H new ATOM 0 HE1 TYR A 119 7.659 -2.191 -5.552 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.573 -0.405 -3.217 1.00 1.22 H new ATOM 0 HH TYR A 119 5.870 -2.207 -2.542 1.00 0.43 H new ATOM 1820 N LYS A 120 4.659 -0.405 -9.065 1.00 0.21 N ATOM 1821 CA LYS A 120 3.605 -1.399 -9.162 1.00 0.23 C ATOM 1822 C LYS A 120 3.904 -2.584 -8.259 1.00 0.24 C ATOM 1823 O LYS A 120 5.057 -2.975 -8.088 1.00 0.29 O ATOM 1824 CB LYS A 120 3.461 -1.886 -10.600 1.00 0.28 C ATOM 1825 CG LYS A 120 2.865 -0.863 -11.542 1.00 0.31 C ATOM 1826 CD LYS A 120 3.044 -1.295 -12.977 1.00 0.46 C ATOM 1827 CE LYS A 120 2.574 -0.226 -13.938 1.00 0.87 C ATOM 1828 NZ LYS A 120 3.288 -0.318 -15.239 1.00 1.17 N ATOM 0 H LYS A 120 5.529 -0.667 -9.529 1.00 0.21 H new ATOM 0 HA LYS A 120 2.673 -0.932 -8.845 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.442 -2.179 -10.973 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.837 -2.779 -10.609 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.805 -0.735 -11.325 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.342 0.105 -11.386 1.00 0.31 H new ATOM 0 HD2 LYS A 120 4.095 -1.517 -13.163 1.00 0.46 H new ATOM 0 HD3 LYS A 120 2.487 -2.215 -13.154 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.501 -0.327 -14.102 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.738 0.758 -13.499 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 3.314 0.620 -15.688 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 4.260 -0.653 -15.079 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.790 -0.986 -15.862 1.00 1.17 H new ATOM 1842 N ARG A 121 2.859 -3.138 -7.673 1.00 0.25 N ATOM 1843 CA ARG A 121 2.986 -4.292 -6.803 1.00 0.28 C ATOM 1844 C ARG A 121 1.789 -5.211 -6.985 1.00 0.28 C ATOM 1845 O ARG A 121 0.642 -4.793 -6.833 1.00 0.34 O ATOM 1846 CB ARG A 121 3.109 -3.869 -5.335 1.00 0.36 C ATOM 1847 CG ARG A 121 2.509 -2.505 -5.033 1.00 0.59 C ATOM 1848 CD ARG A 121 1.939 -2.447 -3.631 1.00 0.84 C ATOM 1849 NE ARG A 121 2.919 -2.839 -2.620 1.00 1.20 N ATOM 1850 CZ ARG A 121 2.593 -3.361 -1.439 1.00 1.59 C ATOM 1851 NH1 ARG A 121 1.315 -3.533 -1.112 1.00 1.88 N ATOM 1852 NH2 ARG A 121 3.547 -3.711 -0.583 1.00 2.48 N ATOM 0 H ARG A 121 1.902 -2.803 -7.786 1.00 0.25 H new ATOM 0 HA ARG A 121 3.896 -4.826 -7.076 1.00 0.28 H new ATOM 0 HB2 ARG A 121 2.620 -4.616 -4.710 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.163 -3.861 -5.057 1.00 0.36 H new ATOM 0 HG2 ARG A 121 3.273 -1.737 -5.148 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.723 -2.284 -5.756 1.00 0.59 H new ATOM 0 HD2 ARG A 121 1.591 -1.435 -3.424 1.00 0.84 H new ATOM 0 HD3 ARG A 121 1.071 -3.103 -3.566 1.00 0.84 H new ATOM 0 HE ARG A 121 3.908 -2.705 -2.831 1.00 1.20 H new ATOM 0 HH11 ARG A 121 0.580 -3.265 -1.767 1.00 1.88 H new ATOM 0 HH12 ARG A 121 1.070 -3.933 -0.206 1.00 1.88 H new ATOM 0 HH21 ARG A 121 4.528 -3.580 -0.831 1.00 2.48 H new ATOM 0 HH22 ARG A 121 3.299 -4.111 0.322 1.00 2.48 H new ATOM 1866 N THR A 122 2.067 -6.449 -7.338 1.00 0.27 N ATOM 1867 CA THR A 122 1.033 -7.437 -7.547 1.00 0.27 C ATOM 1868 C THR A 122 1.013 -8.423 -6.390 1.00 0.25 C ATOM 1869 O THR A 122 2.035 -9.034 -6.069 1.00 0.29 O ATOM 1870 CB THR A 122 1.256 -8.197 -8.870 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.386 -7.258 -9.948 1.00 0.43 O ATOM 1872 CG2 THR A 122 0.108 -9.155 -9.152 1.00 0.34 C ATOM 0 H THR A 122 3.014 -6.797 -7.487 1.00 0.27 H new ATOM 0 HA THR A 122 0.075 -6.919 -7.601 1.00 0.27 H new ATOM 0 HB THR A 122 2.171 -8.783 -8.781 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.529 -7.742 -10.788 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.292 -9.677 -10.091 1.00 0.34 H new ATOM 0 HG22 THR A 122 0.032 -9.881 -8.342 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.824 -8.595 -9.225 1.00 0.34 H new ATOM 1880 N SER A 123 -0.130 -8.549 -5.751 1.00 0.24 N ATOM 1881 CA SER A 123 -0.282 -9.460 -4.637 1.00 0.23 C ATOM 1882 C SER A 123 -1.420 -10.430 -4.914 1.00 0.23 C ATOM 1883 O SER A 123 -2.501 -10.025 -5.348 1.00 0.25 O ATOM 1884 CB SER A 123 -0.547 -8.670 -3.356 1.00 0.25 C ATOM 1885 OG SER A 123 0.384 -7.609 -3.214 1.00 0.38 O ATOM 0 H SER A 123 -0.974 -8.027 -5.986 1.00 0.24 H new ATOM 0 HA SER A 123 0.637 -10.032 -4.509 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.561 -8.270 -3.374 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.482 -9.334 -2.494 1.00 0.25 H new ATOM 0 HG SER A 123 0.195 -7.116 -2.389 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.166 -11.713 -4.695 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.178 -12.732 -4.925 1.00 0.25 C ATOM 1893 C LYS A 124 -3.185 -12.742 -3.784 1.00 0.22 C ATOM 1894 O LYS A 124 -2.865 -12.349 -2.662 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.531 -14.111 -5.080 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.699 -14.542 -3.885 1.00 0.31 C ATOM 1897 CD LYS A 124 -0.047 -15.896 -4.124 1.00 0.43 C ATOM 1898 CE LYS A 124 1.087 -16.156 -3.147 1.00 0.61 C ATOM 1899 NZ LYS A 124 2.396 -15.653 -3.657 1.00 1.45 N ATOM 0 H LYS A 124 -0.272 -12.071 -4.360 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.702 -12.495 -5.851 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.313 -14.851 -5.251 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.898 -14.106 -5.967 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.070 -13.796 -3.687 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.331 -14.592 -2.998 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.796 -16.682 -4.029 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.334 -15.941 -5.144 1.00 0.43 H new ATOM 0 HE2 LYS A 124 0.861 -15.676 -2.195 1.00 0.61 H new ATOM 0 HE3 LYS A 124 1.161 -17.226 -2.955 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 3.169 -16.200 -3.228 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 2.430 -15.759 -4.691 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.503 -14.649 -3.408 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.391 -13.193 -4.081 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.462 -13.247 -3.095 1.00 0.23 C ATOM 1915 C LYS A 125 -5.539 -14.637 -2.482 1.00 0.25 C ATOM 1916 O LYS A 125 -5.606 -15.641 -3.192 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.816 -12.887 -3.739 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.918 -12.514 -2.743 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.384 -13.715 -1.930 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.866 -13.660 -1.625 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.695 -13.837 -2.847 1.00 1.45 N ATOM 0 H LYS A 125 -4.657 -13.531 -5.006 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.243 -12.520 -2.313 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.667 -12.053 -4.424 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.156 -13.733 -4.336 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.550 -11.741 -2.069 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.765 -12.090 -3.282 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -8.161 -14.631 -2.478 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -7.824 -13.758 -0.996 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -10.116 -14.437 -0.902 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.105 -12.703 -1.161 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -11.651 -14.146 -2.577 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.755 -12.934 -3.360 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -10.260 -14.555 -3.461 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.523 -14.690 -1.159 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.618 -15.951 -0.443 1.00 0.28 C ATOM 1937 C ILE A 126 -6.476 -15.781 0.802 1.00 0.30 C ATOM 1938 O ILE A 126 -6.803 -14.656 1.189 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.232 -16.523 -0.033 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.080 -15.836 -0.774 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -4.188 -18.020 -0.292 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.548 -14.605 -0.081 1.00 0.27 C ATOM 0 H ILE A 126 -5.445 -13.870 -0.558 1.00 0.24 H new ATOM 0 HA ILE A 126 -6.076 -16.663 -1.129 1.00 0.28 H new ATOM 0 HB ILE A 126 -4.103 -16.327 1.032 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.266 -16.550 -0.899 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.418 -15.560 -1.773 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -3.213 -18.411 -0.001 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.965 -18.513 0.292 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.354 -18.211 -1.352 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.736 -14.179 -0.669 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.347 -13.871 0.020 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.177 -14.876 0.907 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.875 -16.895 1.392 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.679 -16.887 2.598 1.00 0.44 C ATOM 1956 C ALA A 127 -7.392 -18.148 3.389 1.00 0.67 C ATOM 1957 O ALA A 127 -7.370 -19.232 2.770 1.00 1.27 O ATOM 1958 CB ALA A 127 -9.166 -16.784 2.278 1.00 0.46 C ATOM 0 H ALA A 127 -6.650 -17.828 1.047 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.416 -16.011 3.190 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.738 -16.781 3.206 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.357 -15.861 1.730 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.467 -17.636 1.669 1.00 0.46 H new