USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 927 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 79 SER OG : rot 71:sc= 0.382 USER MOD Set 1.2: A 110 ASN : amide:sc= -1.34 X(o=-0.46,f=-0.29) USER MOD Set 1.3: A 114 LYS NZ :NH3+ 164:sc= 0.494 (180deg=-0.146) USER MOD Set 2.1: A 53 TYR OH : rot -167:sc= 1.32 USER MOD Set 2.2: A 111 HIS : no HD1:sc= 0.234 K(o=1.6,f=-5.7!) USER MOD Set 3.1: A 68 THR OG1 : rot -49:sc= 1.23 USER MOD Set 3.2: A 71 ASN : amide:sc= 1.02 K(o=2.2,f=-3.6) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.17) USER MOD Single : A 50 LYS NZ :NH3+ 163:sc= 2.28 (180deg=1.79) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 68:sc= 0.422 USER MOD Single : A 59 THR OG1 : rot 5:sc= 0.917 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -112:sc=-0.00776 (180deg=-0.0174) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -163:sc= -0.269 (180deg=-0.768) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= 1.11 (180deg=0.68) USER MOD Single : A 83 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.29) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0749 (180deg=-0.46) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= 0.898 (180deg=-2.9!) USER MOD Single : A 116 LYS NZ :NH3+ 168:sc= -0.0352 (180deg=-0.255) USER MOD Single : A 120 HIS :FLIP no HD1:sc= -0.169 F(o=-1.9,f=-0.17) USER MOD Single : A 129 HIS :FLIP no HD1:sc= -0.0236 F(o=-0.62,f=-0.024) USER MOD Single : A 134 SER OG : rot -146:sc= 1.27 USER MOD Single : A 135 LYS NZ :NH3+ -130:sc= 1.25 (180deg=0.748) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 144 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-0.92) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 147 SER OG : rot 180:sc= 0 USER MOD Single : B 148 THR OG1 : rot 116:sc= 0.102 USER MOD Single : B 152 THR OG1 : rot 180:sc= 0 USER MOD Single : B 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -38.015 -4.366 -4.823 1.00 10.97 N ATOM 2 CA GLY A 35 -36.931 -3.360 -4.937 1.00 10.19 C ATOM 3 C GLY A 35 -35.787 -3.651 -3.991 1.00 9.10 C ATOM 4 O GLY A 35 -36.017 -4.045 -2.847 1.00 8.96 O ATOM 0 HA2 GLY A 35 -36.559 -3.342 -5.961 1.00 10.19 H new ATOM 0 HA3 GLY A 35 -37.333 -2.369 -4.726 1.00 10.19 H new ATOM 10 N PRO A 36 -34.535 -3.500 -4.453 1.00 8.54 N ATOM 11 CA PRO A 36 -33.348 -3.758 -3.629 1.00 7.65 C ATOM 12 C PRO A 36 -33.279 -2.835 -2.413 1.00 6.89 C ATOM 13 O PRO A 36 -33.341 -3.304 -1.278 1.00 7.16 O ATOM 14 CB PRO A 36 -32.175 -3.486 -4.582 1.00 7.68 C ATOM 15 CG PRO A 36 -32.760 -3.559 -5.950 1.00 8.48 C ATOM 16 CD PRO A 36 -34.175 -3.081 -5.817 1.00 9.00 C ATOM 0 HA PRO A 36 -33.348 -4.769 -3.221 1.00 7.65 H new ATOM 0 HB2 PRO A 36 -31.733 -2.507 -4.394 1.00 7.68 H new ATOM 0 HB3 PRO A 36 -31.383 -4.223 -4.452 1.00 7.68 H new ATOM 0 HG2 PRO A 36 -32.201 -2.936 -6.648 1.00 8.48 H new ATOM 0 HG3 PRO A 36 -32.726 -4.578 -6.335 1.00 8.48 H new ATOM 0 HD2 PRO A 36 -34.250 -2.001 -5.941 1.00 9.00 H new ATOM 0 HD3 PRO A 36 -34.827 -3.534 -6.564 1.00 9.00 H new ATOM 24 N LEU A 37 -33.161 -1.529 -2.675 1.00 6.26 N ATOM 25 CA LEU A 37 -33.106 -0.507 -1.629 1.00 5.84 C ATOM 26 C LEU A 37 -32.052 -0.836 -0.570 1.00 5.04 C ATOM 27 O LEU A 37 -32.360 -1.379 0.493 1.00 5.27 O ATOM 28 CB LEU A 37 -34.482 -0.328 -0.978 1.00 6.34 C ATOM 29 CG LEU A 37 -34.582 0.800 0.049 1.00 6.76 C ATOM 30 CD1 LEU A 37 -34.303 2.145 -0.604 1.00 7.27 C ATOM 31 CD2 LEU A 37 -35.953 0.796 0.712 1.00 7.42 C ATOM 0 H LEU A 37 -33.101 -1.152 -3.621 1.00 6.26 H new ATOM 0 HA LEU A 37 -32.816 0.431 -2.103 1.00 5.84 H new ATOM 0 HB2 LEU A 37 -35.216 -0.147 -1.764 1.00 6.34 H new ATOM 0 HB3 LEU A 37 -34.759 -1.264 -0.493 1.00 6.34 H new ATOM 0 HG LEU A 37 -33.829 0.634 0.819 1.00 6.76 H new ATOM 0 HD11 LEU A 37 -34.379 2.935 0.143 1.00 7.27 H new ATOM 0 HD12 LEU A 37 -33.299 2.142 -1.028 1.00 7.27 H new ATOM 0 HD13 LEU A 37 -35.031 2.323 -1.396 1.00 7.27 H new ATOM 0 HD21 LEU A 37 -36.007 1.605 1.440 1.00 7.42 H new ATOM 0 HD22 LEU A 37 -36.724 0.937 -0.046 1.00 7.42 H new ATOM 0 HD23 LEU A 37 -36.110 -0.157 1.216 1.00 7.42 H new ATOM 43 N GLY A 38 -30.803 -0.524 -0.878 1.00 4.46 N ATOM 44 CA GLY A 38 -29.725 -0.787 0.049 1.00 3.99 C ATOM 45 C GLY A 38 -28.387 -0.315 -0.477 1.00 3.17 C ATOM 46 O GLY A 38 -28.319 0.617 -1.280 1.00 3.12 O ATOM 0 H GLY A 38 -30.517 -0.092 -1.757 1.00 4.46 H new ATOM 0 HA2 GLY A 38 -29.935 -0.292 0.997 1.00 3.99 H new ATOM 0 HA3 GLY A 38 -29.676 -1.857 0.252 1.00 3.99 H new ATOM 50 N SER A 39 -27.325 -0.958 -0.022 1.00 3.10 N ATOM 51 CA SER A 39 -25.977 -0.622 -0.441 1.00 2.87 C ATOM 52 C SER A 39 -25.112 -1.878 -0.512 1.00 2.54 C ATOM 53 O SER A 39 -25.264 -2.792 0.303 1.00 2.63 O ATOM 54 CB SER A 39 -25.369 0.397 0.526 1.00 3.26 C ATOM 55 OG SER A 39 -25.619 0.032 1.875 1.00 3.97 O ATOM 0 H SER A 39 -27.374 -1.726 0.647 1.00 3.10 H new ATOM 0 HA SER A 39 -26.017 -0.179 -1.436 1.00 2.87 H new ATOM 0 HB2 SER A 39 -24.294 0.467 0.358 1.00 3.26 H new ATOM 0 HB3 SER A 39 -25.787 1.384 0.329 1.00 3.26 H new ATOM 0 HG SER A 39 -25.219 0.697 2.473 1.00 3.97 H new ATOM 61 N ASP A 40 -24.224 -1.928 -1.495 1.00 2.38 N ATOM 62 CA ASP A 40 -23.320 -3.063 -1.644 1.00 2.24 C ATOM 63 C ASP A 40 -21.924 -2.694 -1.157 1.00 1.92 C ATOM 64 O ASP A 40 -21.269 -1.816 -1.723 1.00 1.94 O ATOM 65 CB ASP A 40 -23.266 -3.526 -3.108 1.00 2.59 C ATOM 66 CG ASP A 40 -22.393 -4.755 -3.310 1.00 2.94 C ATOM 67 OD1 ASP A 40 -22.806 -5.863 -2.905 1.00 3.15 O ATOM 68 OD2 ASP A 40 -21.274 -4.611 -3.848 1.00 3.46 O ATOM 0 H ASP A 40 -24.109 -1.199 -2.200 1.00 2.38 H new ATOM 0 HA ASP A 40 -23.699 -3.885 -1.037 1.00 2.24 H new ATOM 0 HB2 ASP A 40 -24.277 -3.745 -3.452 1.00 2.59 H new ATOM 0 HB3 ASP A 40 -22.888 -2.712 -3.727 1.00 2.59 H new ATOM 73 N ASP A 41 -21.490 -3.345 -0.087 1.00 1.79 N ATOM 74 CA ASP A 41 -20.152 -3.134 0.453 1.00 1.55 C ATOM 75 C ASP A 41 -19.272 -4.326 0.117 1.00 1.46 C ATOM 76 O ASP A 41 -19.470 -5.432 0.631 1.00 1.73 O ATOM 77 CB ASP A 41 -20.203 -2.906 1.968 1.00 1.57 C ATOM 78 CG ASP A 41 -18.822 -2.755 2.586 1.00 1.41 C ATOM 79 OD1 ASP A 41 -18.027 -1.932 2.074 1.00 1.44 O ATOM 80 OD2 ASP A 41 -18.515 -3.478 3.559 1.00 1.93 O ATOM 0 H ASP A 41 -22.047 -4.027 0.427 1.00 1.79 H new ATOM 0 HA ASP A 41 -19.726 -2.240 -0.002 1.00 1.55 H new ATOM 0 HB2 ASP A 41 -20.790 -2.011 2.177 1.00 1.57 H new ATOM 0 HB3 ASP A 41 -20.718 -3.743 2.440 1.00 1.57 H new ATOM 85 N VAL A 42 -18.309 -4.090 -0.756 1.00 1.22 N ATOM 86 CA VAL A 42 -17.473 -5.149 -1.299 1.00 1.13 C ATOM 87 C VAL A 42 -16.409 -5.597 -0.304 1.00 1.01 C ATOM 88 O VAL A 42 -16.003 -4.835 0.577 1.00 0.98 O ATOM 89 CB VAL A 42 -16.783 -4.684 -2.599 1.00 1.13 C ATOM 90 CG1 VAL A 42 -17.819 -4.362 -3.665 1.00 1.85 C ATOM 91 CG2 VAL A 42 -15.900 -3.473 -2.330 1.00 1.59 C ATOM 0 H VAL A 42 -18.084 -3.160 -1.109 1.00 1.22 H new ATOM 0 HA VAL A 42 -18.128 -5.994 -1.510 1.00 1.13 H new ATOM 0 HB VAL A 42 -16.153 -5.495 -2.964 1.00 1.13 H new ATOM 0 HG11 VAL A 42 -17.315 -4.036 -4.575 1.00 1.85 H new ATOM 0 HG12 VAL A 42 -18.411 -5.252 -3.877 1.00 1.85 H new ATOM 0 HG13 VAL A 42 -18.474 -3.567 -3.308 1.00 1.85 H new ATOM 0 HG21 VAL A 42 -15.421 -3.159 -3.257 1.00 1.59 H new ATOM 0 HG22 VAL A 42 -16.510 -2.657 -1.942 1.00 1.59 H new ATOM 0 HG23 VAL A 42 -15.136 -3.735 -1.598 1.00 1.59 H new ATOM 101 N GLU A 43 -15.964 -6.842 -0.447 1.00 1.02 N ATOM 102 CA GLU A 43 -14.875 -7.359 0.368 1.00 0.97 C ATOM 103 C GLU A 43 -13.575 -6.668 -0.013 1.00 0.80 C ATOM 104 O GLU A 43 -13.352 -6.361 -1.184 1.00 0.79 O ATOM 105 CB GLU A 43 -14.679 -8.863 0.154 1.00 1.17 C ATOM 106 CG GLU A 43 -15.927 -9.716 0.297 1.00 1.78 C ATOM 107 CD GLU A 43 -15.630 -11.184 0.036 1.00 2.27 C ATOM 108 OE1 GLU A 43 -15.068 -11.505 -1.027 1.00 3.10 O ATOM 109 OE2 GLU A 43 -15.993 -12.029 0.888 1.00 2.15 O ATOM 0 H GLU A 43 -16.342 -7.509 -1.120 1.00 1.02 H new ATOM 0 HA GLU A 43 -15.132 -7.170 1.410 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -14.267 -9.019 -0.843 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -13.934 -9.219 0.866 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -16.336 -9.599 1.301 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -16.689 -9.368 -0.400 1.00 1.78 H new ATOM 116 N TRP A 44 -12.714 -6.424 0.956 1.00 0.71 N ATOM 117 CA TRP A 44 -11.373 -5.994 0.638 1.00 0.60 C ATOM 118 C TRP A 44 -10.550 -7.236 0.329 1.00 0.60 C ATOM 119 O TRP A 44 -10.185 -7.984 1.234 1.00 0.64 O ATOM 120 CB TRP A 44 -10.746 -5.193 1.789 1.00 0.57 C ATOM 121 CG TRP A 44 -9.579 -4.357 1.341 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.438 -3.769 0.120 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.401 -4.004 2.090 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.254 -3.083 0.057 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.603 -3.204 1.250 1.00 0.41 C ATOM 126 CE3 TRP A 44 -7.944 -4.273 3.383 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.378 -2.683 1.648 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.723 -3.752 3.781 1.00 0.49 C ATOM 129 CH2 TRP A 44 -5.955 -2.958 2.913 1.00 0.44 C ATOM 0 H TRP A 44 -12.917 -6.515 1.952 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.396 -5.327 -0.224 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.503 -4.546 2.232 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.418 -5.880 2.569 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.157 -3.834 -0.683 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -7.913 -2.564 -0.753 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.532 -4.876 4.060 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.782 -2.081 0.978 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.356 -3.960 4.775 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -5.012 -2.558 3.255 1.00 0.44 H new ATOM 140 N VAL A 45 -10.284 -7.476 -0.956 1.00 0.61 N ATOM 141 CA VAL A 45 -9.582 -8.688 -1.381 1.00 0.64 C ATOM 142 C VAL A 45 -8.117 -8.668 -0.955 1.00 0.57 C ATOM 143 O VAL A 45 -7.337 -9.545 -1.316 1.00 0.69 O ATOM 144 CB VAL A 45 -9.675 -8.907 -2.904 1.00 0.72 C ATOM 145 CG1 VAL A 45 -11.111 -9.182 -3.312 1.00 1.45 C ATOM 146 CG2 VAL A 45 -9.124 -7.712 -3.665 1.00 1.28 C ATOM 0 H VAL A 45 -10.543 -6.850 -1.718 1.00 0.61 H new ATOM 0 HA VAL A 45 -10.082 -9.519 -0.883 1.00 0.64 H new ATOM 0 HB VAL A 45 -9.067 -9.775 -3.158 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -11.160 -9.334 -4.390 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -11.469 -10.076 -2.802 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -11.736 -8.333 -3.037 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -9.203 -7.895 -4.737 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -9.696 -6.821 -3.406 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -8.078 -7.562 -3.399 1.00 1.28 H new ATOM 156 N VAL A 46 -7.753 -7.646 -0.208 1.00 0.46 N ATOM 157 CA VAL A 46 -6.447 -7.569 0.410 1.00 0.42 C ATOM 158 C VAL A 46 -6.557 -7.892 1.897 1.00 0.38 C ATOM 159 O VAL A 46 -5.635 -8.436 2.500 1.00 0.41 O ATOM 160 CB VAL A 46 -5.839 -6.167 0.237 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.430 -6.122 0.791 1.00 0.54 C ATOM 162 CG2 VAL A 46 -5.854 -5.757 -1.226 1.00 1.10 C ATOM 0 H VAL A 46 -8.355 -6.846 -0.013 1.00 0.46 H new ATOM 0 HA VAL A 46 -5.797 -8.295 -0.078 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.447 -5.458 0.798 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -4.019 -5.121 0.658 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.448 -6.369 1.852 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -3.808 -6.843 0.261 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.420 -4.762 -1.330 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.271 -6.470 -1.810 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -6.881 -5.744 -1.590 1.00 1.10 H new ATOM 172 N GLY A 47 -7.713 -7.584 2.473 1.00 0.40 N ATOM 173 CA GLY A 47 -7.906 -7.753 3.898 1.00 0.47 C ATOM 174 C GLY A 47 -8.273 -9.168 4.281 1.00 0.49 C ATOM 175 O GLY A 47 -8.291 -9.511 5.463 1.00 0.59 O ATOM 0 H GLY A 47 -8.524 -7.218 1.974 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -6.992 -7.467 4.419 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -8.691 -7.076 4.235 1.00 0.47 H new ATOM 179 N LYS A 48 -8.571 -9.996 3.289 1.00 0.49 N ATOM 180 CA LYS A 48 -8.877 -11.393 3.547 1.00 0.61 C ATOM 181 C LYS A 48 -7.592 -12.195 3.707 1.00 0.60 C ATOM 182 O LYS A 48 -7.569 -13.218 4.392 1.00 0.73 O ATOM 183 CB LYS A 48 -9.766 -11.982 2.445 1.00 0.72 C ATOM 184 CG LYS A 48 -9.211 -11.850 1.033 1.00 0.74 C ATOM 185 CD LYS A 48 -10.147 -12.490 0.014 1.00 0.96 C ATOM 186 CE LYS A 48 -11.510 -11.811 -0.008 1.00 1.82 C ATOM 187 NZ LYS A 48 -12.489 -12.545 -0.856 1.00 2.46 N ATOM 0 H LYS A 48 -8.607 -9.726 2.306 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.437 -11.453 4.480 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.931 -13.038 2.657 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.740 -11.493 2.484 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -9.070 -10.797 0.791 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -8.231 -12.323 0.978 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -9.697 -12.434 -0.977 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -10.271 -13.547 0.249 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -11.895 -11.739 1.009 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -11.401 -10.792 -0.380 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -13.442 -12.161 -0.697 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -12.233 -12.433 -1.858 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -12.477 -13.554 -0.606 1.00 2.46 H new ATOM 201 N ASP A 49 -6.516 -11.710 3.096 1.00 0.48 N ATOM 202 CA ASP A 49 -5.199 -12.307 3.285 1.00 0.50 C ATOM 203 C ASP A 49 -4.334 -11.350 4.090 1.00 0.44 C ATOM 204 O ASP A 49 -3.112 -11.320 3.947 1.00 0.45 O ATOM 205 CB ASP A 49 -4.523 -12.581 1.934 1.00 0.60 C ATOM 206 CG ASP A 49 -5.384 -13.384 0.982 1.00 1.16 C ATOM 207 OD1 ASP A 49 -5.402 -14.627 1.108 1.00 1.52 O ATOM 208 OD2 ASP A 49 -6.060 -12.774 0.122 1.00 1.66 O ATOM 0 H ASP A 49 -6.530 -10.907 2.467 1.00 0.48 H new ATOM 0 HA ASP A 49 -5.316 -13.253 3.813 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -4.266 -11.631 1.466 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.589 -13.115 2.106 1.00 0.60 H new ATOM 213 N LYS A 50 -4.974 -10.618 4.995 1.00 0.43 N ATOM 214 CA LYS A 50 -4.292 -9.582 5.758 1.00 0.49 C ATOM 215 C LYS A 50 -3.437 -10.168 6.890 1.00 0.45 C ATOM 216 O LYS A 50 -2.321 -9.714 7.074 1.00 0.45 O ATOM 217 CB LYS A 50 -5.282 -8.552 6.313 1.00 0.70 C ATOM 218 CG LYS A 50 -4.669 -7.171 6.504 1.00 0.72 C ATOM 219 CD LYS A 50 -5.692 -6.159 6.999 1.00 0.90 C ATOM 220 CE LYS A 50 -5.986 -6.330 8.485 1.00 1.01 C ATOM 221 NZ LYS A 50 -4.801 -6.014 9.326 1.00 1.15 N ATOM 0 H LYS A 50 -5.964 -10.724 5.217 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.621 -9.075 5.065 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.133 -8.474 5.636 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -5.667 -8.907 7.269 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -3.847 -7.234 7.217 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -4.246 -6.828 5.560 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -5.323 -5.150 6.816 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -6.616 -6.269 6.431 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -6.815 -5.681 8.768 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -6.304 -7.355 8.676 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -5.104 -5.860 10.309 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -4.129 -6.807 9.291 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -4.340 -5.154 8.967 1.00 1.15 H new ATOM 235 N PRO A 51 -3.929 -11.177 7.662 1.00 0.49 N ATOM 236 CA PRO A 51 -3.155 -11.810 8.744 1.00 0.58 C ATOM 237 C PRO A 51 -1.710 -12.133 8.352 1.00 0.46 C ATOM 238 O PRO A 51 -0.793 -12.016 9.166 1.00 0.47 O ATOM 239 CB PRO A 51 -3.916 -13.113 9.032 1.00 0.69 C ATOM 240 CG PRO A 51 -5.011 -13.185 8.017 1.00 0.75 C ATOM 241 CD PRO A 51 -5.266 -11.774 7.584 1.00 0.55 C ATOM 0 HA PRO A 51 -3.073 -11.139 9.599 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.255 -13.976 8.954 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -4.322 -13.112 10.044 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -4.718 -13.806 7.170 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.910 -13.631 8.443 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.675 -11.726 6.575 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -5.976 -11.269 8.240 1.00 0.55 H new ATOM 249 N THR A 52 -1.514 -12.531 7.102 1.00 0.38 N ATOM 250 CA THR A 52 -0.185 -12.840 6.598 1.00 0.36 C ATOM 251 C THR A 52 0.651 -11.565 6.478 1.00 0.26 C ATOM 252 O THR A 52 1.807 -11.514 6.919 1.00 0.28 O ATOM 253 CB THR A 52 -0.279 -13.527 5.223 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.253 -14.574 5.287 1.00 0.68 O ATOM 255 CG2 THR A 52 1.065 -14.103 4.795 1.00 0.66 C ATOM 0 H THR A 52 -2.261 -12.647 6.418 1.00 0.38 H new ATOM 0 HA THR A 52 0.298 -13.517 7.303 1.00 0.36 H new ATOM 0 HB THR A 52 -0.574 -12.781 4.485 1.00 0.42 H new ATOM 0 HG1 THR A 52 -1.318 -15.014 4.414 1.00 0.68 H new ATOM 0 HG21 THR A 52 0.963 -14.580 3.821 1.00 0.66 H new ATOM 0 HG22 THR A 52 1.801 -13.301 4.731 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.395 -14.840 5.527 1.00 0.66 H new ATOM 263 N TYR A 53 0.046 -10.521 5.919 1.00 0.22 N ATOM 264 CA TYR A 53 0.729 -9.246 5.770 1.00 0.23 C ATOM 265 C TYR A 53 0.898 -8.585 7.133 1.00 0.23 C ATOM 266 O TYR A 53 1.790 -7.767 7.320 1.00 0.24 O ATOM 267 CB TYR A 53 -0.046 -8.312 4.834 1.00 0.33 C ATOM 268 CG TYR A 53 -0.339 -8.898 3.471 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.656 -9.519 2.727 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.616 -8.826 2.926 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.388 -10.050 1.480 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.890 -9.357 1.682 1.00 0.62 C ATOM 273 CZ TYR A 53 -0.886 -9.968 0.963 1.00 0.57 C ATOM 274 OH TYR A 53 -1.156 -10.497 -0.279 1.00 0.69 O ATOM 0 H TYR A 53 -0.910 -10.535 5.564 1.00 0.22 H new ATOM 0 HA TYR A 53 1.709 -9.434 5.332 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -0.988 -8.040 5.310 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.523 -7.391 4.706 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.656 -9.588 3.130 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.406 -8.347 3.485 1.00 0.53 H new ATOM 0 HE1 TYR A 53 1.174 -10.527 0.913 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -2.888 -9.294 1.274 1.00 0.62 H new ATOM 0 HH TYR A 53 -2.031 -10.180 -0.587 1.00 0.69 H new ATOM 284 N ASP A 54 0.055 -8.979 8.085 1.00 0.28 N ATOM 285 CA ASP A 54 0.158 -8.502 9.460 1.00 0.35 C ATOM 286 C ASP A 54 1.406 -9.062 10.106 1.00 0.33 C ATOM 287 O ASP A 54 2.161 -8.343 10.752 1.00 0.35 O ATOM 288 CB ASP A 54 -1.062 -8.922 10.293 1.00 0.51 C ATOM 289 CG ASP A 54 -2.184 -7.902 10.291 1.00 1.35 C ATOM 290 OD1 ASP A 54 -2.886 -7.784 9.258 1.00 2.18 O ATOM 291 OD2 ASP A 54 -2.354 -7.194 11.301 1.00 1.83 O ATOM 0 H ASP A 54 -0.712 -9.632 7.926 1.00 0.28 H new ATOM 0 HA ASP A 54 0.203 -7.413 9.430 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.443 -9.869 9.910 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -0.745 -9.098 11.321 1.00 0.51 H new ATOM 296 N GLU A 55 1.631 -10.351 9.903 1.00 0.35 N ATOM 297 CA GLU A 55 2.790 -11.011 10.470 1.00 0.43 C ATOM 298 C GLU A 55 4.064 -10.385 9.921 1.00 0.38 C ATOM 299 O GLU A 55 4.992 -10.079 10.668 1.00 0.46 O ATOM 300 CB GLU A 55 2.751 -12.511 10.179 1.00 0.54 C ATOM 301 CG GLU A 55 3.740 -13.306 11.012 1.00 1.31 C ATOM 302 CD GLU A 55 3.590 -14.802 10.837 1.00 1.54 C ATOM 303 OE1 GLU A 55 2.447 -15.299 10.873 1.00 1.65 O ATOM 304 OE2 GLU A 55 4.618 -15.494 10.679 1.00 2.33 O ATOM 0 H GLU A 55 1.025 -10.958 9.350 1.00 0.35 H new ATOM 0 HA GLU A 55 2.776 -10.879 11.552 1.00 0.43 H new ATOM 0 HB2 GLU A 55 1.744 -12.885 10.366 1.00 0.54 H new ATOM 0 HB3 GLU A 55 2.961 -12.675 9.122 1.00 0.54 H new ATOM 0 HG2 GLU A 55 4.754 -13.013 10.740 1.00 1.31 H new ATOM 0 HG3 GLU A 55 3.607 -13.053 12.064 1.00 1.31 H new ATOM 311 N ILE A 56 4.081 -10.163 8.614 1.00 0.32 N ATOM 312 CA ILE A 56 5.216 -9.522 7.960 1.00 0.35 C ATOM 313 C ILE A 56 5.364 -8.069 8.425 1.00 0.32 C ATOM 314 O ILE A 56 6.471 -7.593 8.682 1.00 0.45 O ATOM 315 CB ILE A 56 5.045 -9.563 6.433 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.861 -11.008 5.975 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.243 -8.933 5.745 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.252 -11.132 4.600 1.00 0.64 C ATOM 0 H ILE A 56 3.321 -10.417 7.984 1.00 0.32 H new ATOM 0 HA ILE A 56 6.117 -10.070 8.235 1.00 0.35 H new ATOM 0 HB ILE A 56 4.159 -8.990 6.160 1.00 0.39 H new ATOM 0 HG12 ILE A 56 5.829 -11.509 5.981 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.228 -11.530 6.692 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.104 -8.971 4.665 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.340 -7.895 6.062 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.146 -9.480 6.014 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.151 -12.186 4.341 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.269 -10.661 4.594 1.00 0.64 H new ATOM 0 HD13 ILE A 56 4.895 -10.639 3.871 1.00 0.64 H new ATOM 330 N PHE A 57 4.233 -7.389 8.554 1.00 0.20 N ATOM 331 CA PHE A 57 4.193 -5.999 8.999 1.00 0.19 C ATOM 332 C PHE A 57 4.751 -5.853 10.414 1.00 0.16 C ATOM 333 O PHE A 57 5.475 -4.902 10.714 1.00 0.15 O ATOM 334 CB PHE A 57 2.744 -5.493 8.946 1.00 0.21 C ATOM 335 CG PHE A 57 2.572 -4.040 9.265 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.873 -3.078 8.324 1.00 0.26 C ATOM 337 CD2 PHE A 57 2.088 -3.643 10.498 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.697 -1.742 8.603 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.913 -2.308 10.785 1.00 0.25 C ATOM 340 CZ PHE A 57 2.218 -1.356 9.836 1.00 0.27 C ATOM 0 H PHE A 57 3.315 -7.785 8.353 1.00 0.20 H new ATOM 0 HA PHE A 57 4.817 -5.402 8.334 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.345 -5.681 7.949 1.00 0.21 H new ATOM 0 HB3 PHE A 57 2.145 -6.077 9.645 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.251 -3.376 7.357 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.845 -4.387 11.242 1.00 0.22 H new ATOM 0 HE1 PHE A 57 2.934 -0.998 7.857 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.537 -2.007 11.752 1.00 0.25 H new ATOM 0 HZ PHE A 57 2.082 -0.308 10.059 1.00 0.27 H new ATOM 350 N TYR A 58 4.437 -6.810 11.277 1.00 0.19 N ATOM 351 CA TYR A 58 4.834 -6.726 12.679 1.00 0.22 C ATOM 352 C TYR A 58 6.292 -7.135 12.865 1.00 0.26 C ATOM 353 O TYR A 58 6.928 -6.744 13.844 1.00 0.39 O ATOM 354 CB TYR A 58 3.925 -7.596 13.563 1.00 0.26 C ATOM 355 CG TYR A 58 2.483 -7.125 13.650 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.970 -6.192 12.757 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.629 -7.636 14.617 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.652 -5.784 12.821 1.00 1.17 C ATOM 359 CE2 TYR A 58 0.309 -7.230 14.693 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.175 -6.306 13.790 1.00 0.83 C ATOM 361 OH TYR A 58 -1.493 -5.908 13.854 1.00 1.05 O ATOM 0 H TYR A 58 3.911 -7.650 11.034 1.00 0.19 H new ATOM 0 HA TYR A 58 4.726 -5.686 12.987 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.937 -8.616 13.179 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.343 -7.629 14.569 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.615 -5.777 11.997 1.00 1.07 H new ATOM 0 HD2 TYR A 58 2.002 -8.364 15.323 1.00 1.04 H new ATOM 0 HE1 TYR A 58 0.273 -5.060 12.115 1.00 1.17 H new ATOM 0 HE2 TYR A 58 -0.340 -7.634 15.456 1.00 1.17 H new ATOM 0 HH TYR A 58 -1.974 -6.243 13.069 1.00 1.05 H new ATOM 371 N THR A 59 6.826 -7.909 11.927 1.00 0.25 N ATOM 372 CA THR A 59 8.223 -8.320 11.999 1.00 0.29 C ATOM 373 C THR A 59 9.158 -7.209 11.520 1.00 0.29 C ATOM 374 O THR A 59 10.372 -7.295 11.687 1.00 0.36 O ATOM 375 CB THR A 59 8.491 -9.610 11.198 1.00 0.35 C ATOM 376 OG1 THR A 59 7.976 -9.497 9.865 1.00 0.44 O ATOM 377 CG2 THR A 59 7.873 -10.818 11.892 1.00 0.38 C ATOM 0 H THR A 59 6.319 -8.262 11.115 1.00 0.25 H new ATOM 0 HA THR A 59 8.429 -8.525 13.050 1.00 0.29 H new ATOM 0 HB THR A 59 9.571 -9.751 11.146 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.632 -8.591 9.723 1.00 0.44 H new ATOM 0 HG21 THR A 59 8.075 -11.716 11.308 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.305 -10.927 12.887 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.796 -10.676 11.978 1.00 0.38 H new ATOM 385 N LEU A 60 8.585 -6.161 10.931 1.00 0.26 N ATOM 386 CA LEU A 60 9.362 -4.994 10.524 1.00 0.27 C ATOM 387 C LEU A 60 9.440 -3.987 11.667 1.00 0.30 C ATOM 388 O LEU A 60 10.067 -2.939 11.533 1.00 0.38 O ATOM 389 CB LEU A 60 8.748 -4.319 9.288 1.00 0.29 C ATOM 390 CG LEU A 60 8.817 -5.120 7.980 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.272 -4.301 6.826 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.247 -5.559 7.689 1.00 1.22 C ATOM 0 H LEU A 60 7.588 -6.097 10.726 1.00 0.26 H new ATOM 0 HA LEU A 60 10.365 -5.336 10.269 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.702 -4.098 9.501 1.00 0.29 H new ATOM 0 HB3 LEU A 60 9.250 -3.364 9.133 1.00 0.29 H new ATOM 0 HG LEU A 60 8.201 -6.012 8.095 1.00 0.31 H new ATOM 0 HD11 LEU A 60 8.329 -4.884 5.907 1.00 1.37 H new ATOM 0 HD12 LEU A 60 7.233 -4.038 7.025 1.00 1.37 H new ATOM 0 HD13 LEU A 60 8.862 -3.391 6.715 1.00 1.37 H new ATOM 0 HD21 LEU A 60 10.272 -6.125 6.758 1.00 1.22 H new ATOM 0 HD22 LEU A 60 10.886 -4.681 7.597 1.00 1.22 H new ATOM 0 HD23 LEU A 60 10.608 -6.186 8.504 1.00 1.22 H new ATOM 404 N SER A 61 8.802 -4.332 12.787 1.00 0.27 N ATOM 405 CA SER A 61 8.719 -3.456 13.954 1.00 0.30 C ATOM 406 C SER A 61 7.969 -2.162 13.617 1.00 0.28 C ATOM 407 O SER A 61 8.574 -1.125 13.343 1.00 0.36 O ATOM 408 CB SER A 61 10.115 -3.153 14.516 1.00 0.41 C ATOM 409 OG SER A 61 10.774 -4.348 14.922 1.00 1.24 O ATOM 0 H SER A 61 8.329 -5.227 12.909 1.00 0.27 H new ATOM 0 HA SER A 61 8.154 -3.979 14.726 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.712 -2.644 13.760 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.029 -2.475 15.365 1.00 0.41 H new ATOM 0 HG SER A 61 11.662 -4.128 15.275 1.00 1.24 H new ATOM 415 N PRO A 62 6.627 -2.223 13.620 1.00 0.24 N ATOM 416 CA PRO A 62 5.782 -1.077 13.298 1.00 0.29 C ATOM 417 C PRO A 62 5.700 -0.079 14.445 1.00 0.32 C ATOM 418 O PRO A 62 5.931 -0.428 15.603 1.00 0.47 O ATOM 419 CB PRO A 62 4.416 -1.715 13.057 1.00 0.35 C ATOM 420 CG PRO A 62 4.413 -2.924 13.923 1.00 0.33 C ATOM 421 CD PRO A 62 5.832 -3.423 13.941 1.00 0.23 C ATOM 0 HA PRO A 62 6.166 -0.509 12.451 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.607 -1.034 13.323 1.00 0.35 H new ATOM 0 HB3 PRO A 62 4.280 -1.978 12.008 1.00 0.35 H new ATOM 0 HG2 PRO A 62 4.071 -2.682 14.929 1.00 0.33 H new ATOM 0 HG3 PRO A 62 3.737 -3.684 13.531 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.100 -3.833 14.915 1.00 0.23 H new ATOM 0 HD3 PRO A 62 5.988 -4.215 13.208 1.00 0.23 H new ATOM 429 N VAL A 63 5.368 1.156 14.119 1.00 0.29 N ATOM 430 CA VAL A 63 5.196 2.192 15.118 1.00 0.36 C ATOM 431 C VAL A 63 3.807 2.808 14.999 1.00 0.37 C ATOM 432 O VAL A 63 3.454 3.387 13.971 1.00 0.38 O ATOM 433 CB VAL A 63 6.289 3.286 15.013 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.632 2.730 15.460 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.398 3.834 13.594 1.00 1.02 C ATOM 0 H VAL A 63 5.211 1.467 13.160 1.00 0.29 H new ATOM 0 HA VAL A 63 5.299 1.728 16.099 1.00 0.36 H new ATOM 0 HB VAL A 63 6.001 4.107 15.669 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.392 3.508 15.382 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.561 2.395 16.495 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.907 1.889 14.824 1.00 1.02 H new ATOM 0 HG21 VAL A 63 7.174 4.599 13.558 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.654 3.025 12.910 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.444 4.271 13.298 1.00 1.02 H new ATOM 445 N ASN A 64 3.007 2.623 16.047 1.00 0.44 N ATOM 446 CA ASN A 64 1.641 3.150 16.103 1.00 0.52 C ATOM 447 C ASN A 64 0.755 2.519 15.026 1.00 0.44 C ATOM 448 O ASN A 64 -0.254 3.100 14.623 1.00 0.50 O ATOM 449 CB ASN A 64 1.632 4.681 15.965 1.00 0.64 C ATOM 450 CG ASN A 64 2.379 5.382 17.085 1.00 0.84 C ATOM 451 OD1 ASN A 64 2.467 4.875 18.206 1.00 1.34 O ATOM 452 ND2 ASN A 64 2.918 6.558 16.791 1.00 1.31 N ATOM 0 H ASN A 64 3.285 2.105 16.881 1.00 0.44 H new ATOM 0 HA ASN A 64 1.233 2.887 17.079 1.00 0.52 H new ATOM 0 HB2 ASN A 64 2.079 4.957 15.010 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.600 5.033 15.948 1.00 0.64 H new ATOM 0 HD21 ASN A 64 3.428 7.078 17.505 1.00 1.31 H new ATOM 0 HD22 ASN A 64 2.822 6.942 15.851 1.00 1.31 H new ATOM 459 N GLY A 65 1.125 1.320 14.585 1.00 0.40 N ATOM 460 CA GLY A 65 0.336 0.612 13.588 1.00 0.43 C ATOM 461 C GLY A 65 0.737 0.951 12.168 1.00 0.33 C ATOM 462 O GLY A 65 0.045 0.587 11.219 1.00 0.35 O ATOM 0 H GLY A 65 1.959 0.824 14.900 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.443 -0.462 13.744 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -0.718 0.852 13.729 1.00 0.43 H new ATOM 466 N LYS A 66 1.857 1.649 12.025 1.00 0.28 N ATOM 467 CA LYS A 66 2.367 2.040 10.714 1.00 0.26 C ATOM 468 C LYS A 66 3.873 1.804 10.644 1.00 0.23 C ATOM 469 O LYS A 66 4.551 1.786 11.668 1.00 0.27 O ATOM 470 CB LYS A 66 2.066 3.517 10.434 1.00 0.34 C ATOM 471 CG LYS A 66 0.611 3.896 10.650 1.00 0.64 C ATOM 472 CD LYS A 66 0.342 5.342 10.270 1.00 0.75 C ATOM 473 CE LYS A 66 -1.043 5.773 10.719 1.00 1.05 C ATOM 474 NZ LYS A 66 -1.394 7.131 10.231 1.00 1.48 N ATOM 0 H LYS A 66 2.434 1.959 12.807 1.00 0.28 H new ATOM 0 HA LYS A 66 1.870 1.430 9.960 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.692 4.135 11.078 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.343 3.746 9.405 1.00 0.34 H new ATOM 0 HG2 LYS A 66 -0.027 3.240 10.058 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.346 3.740 11.696 1.00 0.64 H new ATOM 0 HD2 LYS A 66 1.093 5.987 10.725 1.00 0.75 H new ATOM 0 HD3 LYS A 66 0.432 5.461 9.190 1.00 0.75 H new ATOM 0 HE2 LYS A 66 -1.780 5.057 10.356 1.00 1.05 H new ATOM 0 HE3 LYS A 66 -1.092 5.756 11.808 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -2.347 7.383 10.562 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 -0.707 7.820 10.598 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -1.374 7.142 9.191 1.00 1.48 H new ATOM 488 N ILE A 67 4.392 1.604 9.445 1.00 0.25 N ATOM 489 CA ILE A 67 5.834 1.478 9.259 1.00 0.27 C ATOM 490 C ILE A 67 6.357 2.610 8.389 1.00 0.26 C ATOM 491 O ILE A 67 5.598 3.225 7.639 1.00 0.29 O ATOM 492 CB ILE A 67 6.244 0.132 8.623 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.530 -0.072 7.284 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.957 -1.020 9.575 1.00 0.33 C ATOM 495 CD1 ILE A 67 6.005 -1.290 6.526 1.00 0.64 C ATOM 0 H ILE A 67 3.844 1.525 8.588 1.00 0.25 H new ATOM 0 HA ILE A 67 6.274 1.526 10.255 1.00 0.27 H new ATOM 0 HB ILE A 67 7.317 0.154 8.433 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.458 -0.160 7.463 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.678 0.812 6.664 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.253 -1.960 9.109 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.521 -0.879 10.497 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.891 -1.047 9.802 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.456 -1.372 5.588 1.00 0.64 H new ATOM 0 HD12 ILE A 67 7.070 -1.195 6.316 1.00 0.64 H new ATOM 0 HD13 ILE A 67 5.832 -2.183 7.127 1.00 0.64 H new ATOM 507 N THR A 68 7.652 2.873 8.483 1.00 0.32 N ATOM 508 CA THR A 68 8.261 3.938 7.706 1.00 0.36 C ATOM 509 C THR A 68 8.540 3.459 6.288 1.00 0.33 C ATOM 510 O THR A 68 8.432 2.265 5.992 1.00 0.33 O ATOM 511 CB THR A 68 9.577 4.436 8.345 1.00 0.45 C ATOM 512 OG1 THR A 68 10.578 3.408 8.299 1.00 0.55 O ATOM 513 CG2 THR A 68 9.355 4.861 9.790 1.00 0.50 C ATOM 0 H THR A 68 8.298 2.365 9.087 1.00 0.32 H new ATOM 0 HA THR A 68 7.556 4.769 7.686 1.00 0.36 H new ATOM 0 HB THR A 68 9.918 5.299 7.773 1.00 0.45 H new ATOM 0 HG1 THR A 68 10.202 2.570 8.640 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.297 5.207 10.216 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.623 5.668 9.824 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.986 4.012 10.366 1.00 0.50 H new ATOM 521 N GLY A 69 8.901 4.388 5.417 1.00 0.37 N ATOM 522 CA GLY A 69 9.245 4.031 4.058 1.00 0.41 C ATOM 523 C GLY A 69 10.481 3.156 3.983 1.00 0.35 C ATOM 524 O GLY A 69 10.722 2.510 2.972 1.00 0.37 O ATOM 0 H GLY A 69 8.962 5.384 5.628 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.405 3.509 3.599 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.411 4.939 3.478 1.00 0.41 H new ATOM 528 N ALA A 70 11.259 3.127 5.064 1.00 0.33 N ATOM 529 CA ALA A 70 12.488 2.340 5.117 1.00 0.33 C ATOM 530 C ALA A 70 12.200 0.842 5.122 1.00 0.31 C ATOM 531 O ALA A 70 12.801 0.072 4.366 1.00 0.34 O ATOM 532 CB ALA A 70 13.295 2.727 6.346 1.00 0.38 C ATOM 0 H ALA A 70 11.057 3.644 5.920 1.00 0.33 H new ATOM 0 HA ALA A 70 13.066 2.558 4.219 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.211 2.137 6.381 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.548 3.786 6.297 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.706 2.536 7.243 1.00 0.38 H new ATOM 538 N ASN A 71 11.261 0.440 5.958 1.00 0.33 N ATOM 539 CA ASN A 71 10.964 -0.971 6.152 1.00 0.36 C ATOM 540 C ASN A 71 10.242 -1.514 4.934 1.00 0.32 C ATOM 541 O ASN A 71 10.555 -2.598 4.434 1.00 0.32 O ATOM 542 CB ASN A 71 10.117 -1.154 7.412 1.00 0.46 C ATOM 543 CG ASN A 71 10.497 -0.155 8.486 1.00 0.76 C ATOM 544 OD1 ASN A 71 9.814 0.853 8.682 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.620 -0.382 9.147 1.00 0.61 N ATOM 0 H ASN A 71 10.688 1.072 6.517 1.00 0.33 H new ATOM 0 HA ASN A 71 11.894 -1.525 6.279 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.062 -1.038 7.163 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.245 -2.167 7.794 1.00 0.46 H new ATOM 0 HD21 ASN A 71 11.946 0.288 9.844 1.00 0.61 H new ATOM 0 HD22 ASN A 71 12.160 -1.227 8.960 1.00 0.61 H new ATOM 552 N ALA A 72 9.293 -0.735 4.439 1.00 0.32 N ATOM 553 CA ALA A 72 8.584 -1.094 3.229 1.00 0.33 C ATOM 554 C ALA A 72 9.547 -1.122 2.044 1.00 0.30 C ATOM 555 O ALA A 72 9.413 -1.948 1.148 1.00 0.32 O ATOM 556 CB ALA A 72 7.445 -0.122 2.971 1.00 0.39 C ATOM 0 H ALA A 72 8.999 0.147 4.858 1.00 0.32 H new ATOM 0 HA ALA A 72 8.159 -2.090 3.355 1.00 0.33 H new ATOM 0 HB1 ALA A 72 6.923 -0.407 2.058 1.00 0.39 H new ATOM 0 HB2 ALA A 72 6.749 -0.146 3.809 1.00 0.39 H new ATOM 0 HB3 ALA A 72 7.845 0.886 2.861 1.00 0.39 H new ATOM 562 N LYS A 73 10.524 -0.213 2.059 1.00 0.29 N ATOM 563 CA LYS A 73 11.573 -0.163 1.036 1.00 0.30 C ATOM 564 C LYS A 73 12.294 -1.503 0.956 1.00 0.26 C ATOM 565 O LYS A 73 12.534 -2.033 -0.130 1.00 0.27 O ATOM 566 CB LYS A 73 12.590 0.933 1.374 1.00 0.36 C ATOM 567 CG LYS A 73 13.611 1.221 0.283 1.00 0.47 C ATOM 568 CD LYS A 73 14.788 2.006 0.846 1.00 0.67 C ATOM 569 CE LYS A 73 15.706 2.530 -0.246 1.00 0.84 C ATOM 570 NZ LYS A 73 15.118 3.698 -0.949 1.00 0.76 N ATOM 0 H LYS A 73 10.611 0.507 2.777 1.00 0.29 H new ATOM 0 HA LYS A 73 11.106 0.057 0.076 1.00 0.30 H new ATOM 0 HB2 LYS A 73 12.050 1.853 1.597 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.121 0.647 2.282 1.00 0.36 H new ATOM 0 HG2 LYS A 73 13.964 0.285 -0.149 1.00 0.47 H new ATOM 0 HG3 LYS A 73 13.142 1.786 -0.522 1.00 0.47 H new ATOM 0 HD2 LYS A 73 14.415 2.843 1.437 1.00 0.67 H new ATOM 0 HD3 LYS A 73 15.358 1.368 1.522 1.00 0.67 H new ATOM 0 HE2 LYS A 73 16.664 2.813 0.190 1.00 0.84 H new ATOM 0 HE3 LYS A 73 15.905 1.736 -0.965 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 14.884 3.433 -1.927 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 14.254 4.001 -0.456 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 15.804 4.480 -0.957 1.00 0.76 H new ATOM 584 N LYS A 74 12.625 -2.048 2.123 1.00 0.26 N ATOM 585 CA LYS A 74 13.342 -3.314 2.203 1.00 0.29 C ATOM 586 C LYS A 74 12.472 -4.467 1.718 1.00 0.29 C ATOM 587 O LYS A 74 12.966 -5.421 1.147 1.00 0.35 O ATOM 588 CB LYS A 74 13.828 -3.573 3.630 1.00 0.34 C ATOM 589 CG LYS A 74 14.794 -2.516 4.139 1.00 1.03 C ATOM 590 CD LYS A 74 15.468 -2.953 5.428 1.00 1.05 C ATOM 591 CE LYS A 74 16.429 -4.111 5.196 1.00 1.63 C ATOM 592 NZ LYS A 74 17.094 -4.542 6.454 1.00 1.95 N ATOM 0 H LYS A 74 12.407 -1.630 3.028 1.00 0.26 H new ATOM 0 HA LYS A 74 14.212 -3.247 1.550 1.00 0.29 H new ATOM 0 HB2 LYS A 74 12.967 -3.619 4.297 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.314 -4.548 3.669 1.00 0.34 H new ATOM 0 HG2 LYS A 74 15.551 -2.318 3.380 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.258 -1.582 4.306 1.00 1.03 H new ATOM 0 HD2 LYS A 74 16.010 -2.111 5.859 1.00 1.05 H new ATOM 0 HD3 LYS A 74 14.710 -3.249 6.153 1.00 1.05 H new ATOM 0 HE2 LYS A 74 15.886 -4.953 4.766 1.00 1.63 H new ATOM 0 HE3 LYS A 74 17.185 -3.815 4.469 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 17.740 -5.332 6.252 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 17.634 -3.747 6.852 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 16.375 -4.849 7.139 1.00 1.95 H new ATOM 606 N GLU A 75 11.179 -4.351 1.919 1.00 0.31 N ATOM 607 CA GLU A 75 10.238 -5.380 1.468 1.00 0.35 C ATOM 608 C GLU A 75 10.120 -5.340 -0.053 1.00 0.32 C ATOM 609 O GLU A 75 10.207 -6.368 -0.736 1.00 0.35 O ATOM 610 CB GLU A 75 8.866 -5.163 2.119 1.00 0.41 C ATOM 611 CG GLU A 75 7.728 -5.937 1.464 1.00 0.59 C ATOM 612 CD GLU A 75 7.898 -7.442 1.552 1.00 0.93 C ATOM 613 OE1 GLU A 75 8.137 -7.955 2.663 1.00 1.09 O ATOM 614 OE2 GLU A 75 7.750 -8.121 0.513 1.00 1.60 O ATOM 0 H GLU A 75 10.744 -3.558 2.391 1.00 0.31 H new ATOM 0 HA GLU A 75 10.609 -6.360 1.766 1.00 0.35 H new ATOM 0 HB2 GLU A 75 8.926 -5.449 3.169 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.629 -4.100 2.092 1.00 0.41 H new ATOM 0 HG2 GLU A 75 6.787 -5.656 1.937 1.00 0.59 H new ATOM 0 HG3 GLU A 75 7.657 -5.647 0.416 1.00 0.59 H new ATOM 621 N MET A 76 9.941 -4.132 -0.572 1.00 0.29 N ATOM 622 CA MET A 76 9.900 -3.898 -2.007 1.00 0.30 C ATOM 623 C MET A 76 11.170 -4.437 -2.651 1.00 0.30 C ATOM 624 O MET A 76 11.135 -5.083 -3.701 1.00 0.38 O ATOM 625 CB MET A 76 9.790 -2.397 -2.286 1.00 0.39 C ATOM 626 CG MET A 76 8.539 -1.733 -1.737 1.00 0.56 C ATOM 627 SD MET A 76 7.095 -1.973 -2.782 1.00 1.04 S ATOM 628 CE MET A 76 5.900 -0.971 -1.906 1.00 1.24 C ATOM 0 H MET A 76 9.821 -3.289 -0.010 1.00 0.29 H new ATOM 0 HA MET A 76 9.033 -4.409 -2.425 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.663 -1.899 -1.864 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.824 -2.239 -3.364 1.00 0.39 H new ATOM 0 HG2 MET A 76 8.331 -2.130 -0.743 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.723 -0.665 -1.622 1.00 0.56 H new ATOM 0 HE1 MET A 76 4.894 -1.238 -2.230 1.00 1.24 H new ATOM 0 HE2 MET A 76 5.995 -1.146 -0.834 1.00 1.24 H new ATOM 0 HE3 MET A 76 6.082 0.082 -2.119 1.00 1.24 H new ATOM 638 N VAL A 77 12.294 -4.184 -1.988 1.00 0.29 N ATOM 639 CA VAL A 77 13.596 -4.578 -2.498 1.00 0.35 C ATOM 640 C VAL A 77 13.814 -6.092 -2.361 1.00 0.33 C ATOM 641 O VAL A 77 14.598 -6.685 -3.106 1.00 0.37 O ATOM 642 CB VAL A 77 14.728 -3.785 -1.790 1.00 0.51 C ATOM 643 CG1 VAL A 77 15.180 -4.438 -0.498 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.898 -3.585 -2.718 1.00 1.14 C ATOM 0 H VAL A 77 12.325 -3.703 -1.089 1.00 0.29 H new ATOM 0 HA VAL A 77 13.626 -4.336 -3.560 1.00 0.35 H new ATOM 0 HB VAL A 77 14.312 -2.813 -1.526 1.00 0.51 H new ATOM 0 HG11 VAL A 77 15.972 -3.841 -0.046 1.00 1.57 H new ATOM 0 HG12 VAL A 77 14.338 -4.504 0.191 1.00 1.57 H new ATOM 0 HG13 VAL A 77 15.555 -5.439 -0.708 1.00 1.57 H new ATOM 0 HG21 VAL A 77 16.680 -3.027 -2.203 1.00 1.14 H new ATOM 0 HG22 VAL A 77 16.287 -4.555 -3.027 1.00 1.14 H new ATOM 0 HG23 VAL A 77 15.574 -3.028 -3.597 1.00 1.14 H new ATOM 654 N LYS A 78 13.093 -6.720 -1.429 1.00 0.36 N ATOM 655 CA LYS A 78 13.154 -8.173 -1.262 1.00 0.45 C ATOM 656 C LYS A 78 12.415 -8.854 -2.398 1.00 0.42 C ATOM 657 O LYS A 78 12.751 -9.970 -2.796 1.00 0.47 O ATOM 658 CB LYS A 78 12.536 -8.609 0.070 1.00 0.61 C ATOM 659 CG LYS A 78 13.346 -8.210 1.288 1.00 0.71 C ATOM 660 CD LYS A 78 14.712 -8.863 1.283 1.00 1.25 C ATOM 661 CE LYS A 78 14.605 -10.367 1.462 1.00 1.79 C ATOM 662 NZ LYS A 78 15.941 -11.022 1.460 1.00 2.79 N ATOM 0 H LYS A 78 12.463 -6.247 -0.781 1.00 0.36 H new ATOM 0 HA LYS A 78 14.204 -8.465 -1.269 1.00 0.45 H new ATOM 0 HB2 LYS A 78 11.538 -8.178 0.154 1.00 0.61 H new ATOM 0 HB3 LYS A 78 12.416 -9.692 0.065 1.00 0.61 H new ATOM 0 HG2 LYS A 78 13.460 -7.126 1.312 1.00 0.71 H new ATOM 0 HG3 LYS A 78 12.809 -8.494 2.193 1.00 0.71 H new ATOM 0 HD2 LYS A 78 15.220 -8.642 0.344 1.00 1.25 H new ATOM 0 HD3 LYS A 78 15.322 -8.442 2.082 1.00 1.25 H new ATOM 0 HE2 LYS A 78 14.095 -10.586 2.400 1.00 1.79 H new ATOM 0 HE3 LYS A 78 13.994 -10.785 0.662 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 15.825 -12.048 1.585 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 16.418 -10.835 0.555 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 16.515 -10.642 2.239 1.00 2.79 H new ATOM 676 N SER A 79 11.422 -8.162 -2.936 1.00 0.40 N ATOM 677 CA SER A 79 10.653 -8.682 -4.057 1.00 0.43 C ATOM 678 C SER A 79 11.393 -8.437 -5.371 1.00 0.38 C ATOM 679 O SER A 79 10.957 -8.878 -6.433 1.00 0.44 O ATOM 680 CB SER A 79 9.268 -8.044 -4.077 1.00 0.54 C ATOM 681 OG SER A 79 8.585 -8.281 -2.850 1.00 1.27 O ATOM 0 H SER A 79 11.130 -7.239 -2.615 1.00 0.40 H new ATOM 0 HA SER A 79 10.533 -9.759 -3.939 1.00 0.43 H new ATOM 0 HB2 SER A 79 9.359 -6.971 -4.246 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.688 -8.449 -4.906 1.00 0.54 H new ATOM 0 HG SER A 79 8.998 -7.749 -2.138 1.00 1.27 H new ATOM 687 N LYS A 80 12.511 -7.712 -5.273 1.00 0.39 N ATOM 688 CA LYS A 80 13.472 -7.568 -6.370 1.00 0.42 C ATOM 689 C LYS A 80 12.876 -6.816 -7.559 1.00 0.35 C ATOM 690 O LYS A 80 13.359 -6.938 -8.686 1.00 0.45 O ATOM 691 CB LYS A 80 13.971 -8.949 -6.806 1.00 0.54 C ATOM 692 CG LYS A 80 14.467 -9.796 -5.644 1.00 0.85 C ATOM 693 CD LYS A 80 14.767 -11.220 -6.069 1.00 1.32 C ATOM 694 CE LYS A 80 14.955 -12.126 -4.863 1.00 2.10 C ATOM 695 NZ LYS A 80 13.712 -12.244 -4.054 1.00 2.97 N ATOM 0 H LYS A 80 12.776 -7.207 -4.427 1.00 0.39 H new ATOM 0 HA LYS A 80 14.311 -6.976 -6.004 1.00 0.42 H new ATOM 0 HB2 LYS A 80 13.164 -9.477 -7.315 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.777 -8.826 -7.529 1.00 0.54 H new ATOM 0 HG2 LYS A 80 15.366 -9.345 -5.224 1.00 0.85 H new ATOM 0 HG3 LYS A 80 13.716 -9.804 -4.854 1.00 0.85 H new ATOM 0 HD2 LYS A 80 13.952 -11.597 -6.687 1.00 1.32 H new ATOM 0 HD3 LYS A 80 15.667 -11.237 -6.684 1.00 1.32 H new ATOM 0 HE2 LYS A 80 15.264 -13.116 -5.198 1.00 2.10 H new ATOM 0 HE3 LYS A 80 15.758 -11.736 -4.238 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 13.762 -13.098 -3.463 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 13.614 -11.407 -3.445 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 12.890 -12.309 -4.688 1.00 2.97 H new ATOM 709 N LEU A 81 11.852 -6.022 -7.299 1.00 0.31 N ATOM 710 CA LEU A 81 11.219 -5.237 -8.345 1.00 0.30 C ATOM 711 C LEU A 81 11.961 -3.917 -8.536 1.00 0.30 C ATOM 712 O LEU A 81 12.542 -3.384 -7.588 1.00 0.41 O ATOM 713 CB LEU A 81 9.747 -4.977 -8.002 1.00 0.37 C ATOM 714 CG LEU A 81 8.875 -6.228 -7.869 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.444 -5.845 -7.535 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.926 -7.042 -9.151 1.00 0.47 C ATOM 0 H LEU A 81 11.441 -5.904 -6.373 1.00 0.31 H new ATOM 0 HA LEU A 81 11.262 -5.800 -9.277 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.702 -4.422 -7.065 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.319 -4.336 -8.773 1.00 0.37 H new ATOM 0 HG LEU A 81 9.264 -6.840 -7.055 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.838 -6.746 -7.444 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.424 -5.298 -6.592 1.00 0.52 H new ATOM 0 HD13 LEU A 81 7.041 -5.215 -8.328 1.00 0.52 H new ATOM 0 HD21 LEU A 81 8.302 -7.929 -9.044 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.559 -6.438 -9.980 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.954 -7.344 -9.350 1.00 0.47 H new ATOM 728 N PRO A 82 11.973 -3.388 -9.771 1.00 0.28 N ATOM 729 CA PRO A 82 12.631 -2.114 -10.092 1.00 0.34 C ATOM 730 C PRO A 82 12.136 -0.970 -9.209 1.00 0.33 C ATOM 731 O PRO A 82 10.935 -0.833 -8.973 1.00 0.27 O ATOM 732 CB PRO A 82 12.245 -1.872 -11.553 1.00 0.43 C ATOM 733 CG PRO A 82 11.948 -3.227 -12.095 1.00 0.44 C ATOM 734 CD PRO A 82 11.348 -3.999 -10.958 1.00 0.37 C ATOM 0 HA PRO A 82 13.707 -2.156 -9.926 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.378 -1.216 -11.630 1.00 0.43 H new ATOM 0 HB3 PRO A 82 13.056 -1.395 -12.103 1.00 0.43 H new ATOM 0 HG2 PRO A 82 11.257 -3.169 -12.936 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.855 -3.710 -12.460 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.262 -3.905 -10.935 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.574 -5.063 -11.030 1.00 0.37 H new ATOM 742 N ASN A 83 13.071 -0.144 -8.748 1.00 0.44 N ATOM 743 CA ASN A 83 12.780 0.929 -7.790 1.00 0.49 C ATOM 744 C ASN A 83 11.768 1.911 -8.363 1.00 0.42 C ATOM 745 O ASN A 83 10.930 2.453 -7.645 1.00 0.41 O ATOM 746 CB ASN A 83 14.074 1.664 -7.410 1.00 0.64 C ATOM 747 CG ASN A 83 14.481 2.731 -8.411 1.00 1.05 C ATOM 748 OD1 ASN A 83 14.105 3.894 -8.281 1.00 1.85 O ATOM 749 ND2 ASN A 83 15.251 2.340 -9.415 1.00 1.79 N ATOM 0 H ASN A 83 14.051 -0.196 -9.025 1.00 0.44 H new ATOM 0 HA ASN A 83 12.350 0.480 -6.895 1.00 0.49 H new ATOM 0 HB2 ASN A 83 13.946 2.126 -6.431 1.00 0.64 H new ATOM 0 HB3 ASN A 83 14.881 0.937 -7.317 1.00 0.64 H new ATOM 0 HD21 ASN A 83 15.554 3.014 -10.118 1.00 1.79 H new ATOM 0 HD22 ASN A 83 15.541 1.365 -9.486 1.00 1.79 H new ATOM 756 N THR A 84 11.853 2.127 -9.665 1.00 0.43 N ATOM 757 CA THR A 84 10.928 2.998 -10.365 1.00 0.45 C ATOM 758 C THR A 84 9.502 2.437 -10.286 1.00 0.35 C ATOM 759 O THR A 84 8.534 3.172 -10.060 1.00 0.34 O ATOM 760 CB THR A 84 11.372 3.141 -11.832 1.00 0.59 C ATOM 761 OG1 THR A 84 12.721 3.626 -11.885 1.00 1.47 O ATOM 762 CG2 THR A 84 10.455 4.083 -12.603 1.00 1.27 C ATOM 0 H THR A 84 12.563 1.705 -10.263 1.00 0.43 H new ATOM 0 HA THR A 84 10.932 3.981 -9.893 1.00 0.45 H new ATOM 0 HB THR A 84 11.315 2.158 -12.299 1.00 0.59 H new ATOM 0 HG1 THR A 84 13.000 3.714 -12.820 1.00 1.47 H new ATOM 0 HG21 THR A 84 10.798 4.161 -13.635 1.00 1.27 H new ATOM 0 HG22 THR A 84 9.437 3.694 -12.587 1.00 1.27 H new ATOM 0 HG23 THR A 84 10.474 5.069 -12.139 1.00 1.27 H new ATOM 770 N VAL A 85 9.389 1.122 -10.428 1.00 0.32 N ATOM 771 CA VAL A 85 8.104 0.446 -10.335 1.00 0.32 C ATOM 772 C VAL A 85 7.625 0.441 -8.888 1.00 0.26 C ATOM 773 O VAL A 85 6.432 0.547 -8.614 1.00 0.31 O ATOM 774 CB VAL A 85 8.193 -1.003 -10.860 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.836 -1.689 -10.813 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.755 -1.024 -12.274 1.00 0.45 C ATOM 0 H VAL A 85 10.178 0.501 -10.609 1.00 0.32 H new ATOM 0 HA VAL A 85 7.391 0.989 -10.955 1.00 0.32 H new ATOM 0 HB VAL A 85 8.870 -1.556 -10.209 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.930 -2.708 -11.189 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.476 -1.713 -9.784 1.00 0.44 H new ATOM 0 HG13 VAL A 85 6.128 -1.138 -11.432 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.811 -2.053 -12.628 1.00 0.45 H new ATOM 0 HG22 VAL A 85 8.105 -0.448 -12.933 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.753 -0.585 -12.275 1.00 0.45 H new ATOM 786 N LEU A 86 8.570 0.336 -7.964 1.00 0.24 N ATOM 787 CA LEU A 86 8.264 0.432 -6.545 1.00 0.28 C ATOM 788 C LEU A 86 7.720 1.821 -6.219 1.00 0.24 C ATOM 789 O LEU A 86 6.860 1.980 -5.353 1.00 0.28 O ATOM 790 CB LEU A 86 9.519 0.152 -5.716 1.00 0.37 C ATOM 791 CG LEU A 86 10.201 -1.188 -5.995 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.465 -1.325 -5.158 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.247 -2.339 -5.728 1.00 0.82 C ATOM 0 H LEU A 86 9.557 0.184 -8.173 1.00 0.24 H new ATOM 0 HA LEU A 86 7.506 -0.311 -6.298 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.238 0.951 -5.895 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.253 0.193 -4.660 1.00 0.37 H new ATOM 0 HG LEU A 86 10.483 -1.221 -7.047 1.00 0.51 H new ATOM 0 HD11 LEU A 86 11.938 -2.284 -5.368 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.155 -0.518 -5.405 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.208 -1.271 -4.100 1.00 0.90 H new ATOM 0 HD21 LEU A 86 9.751 -3.284 -5.932 1.00 0.82 H new ATOM 0 HD22 LEU A 86 8.930 -2.315 -4.685 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.374 -2.246 -6.375 1.00 0.82 H new ATOM 805 N GLY A 87 8.227 2.824 -6.930 1.00 0.23 N ATOM 806 CA GLY A 87 7.735 4.179 -6.777 1.00 0.26 C ATOM 807 C GLY A 87 6.312 4.305 -7.262 1.00 0.27 C ATOM 808 O GLY A 87 5.502 5.019 -6.668 1.00 0.32 O ATOM 0 H GLY A 87 8.976 2.719 -7.614 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.791 4.472 -5.729 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.373 4.865 -7.334 1.00 0.26 H new ATOM 812 N LYS A 88 6.010 3.604 -8.347 1.00 0.27 N ATOM 813 CA LYS A 88 4.643 3.493 -8.831 1.00 0.36 C ATOM 814 C LYS A 88 3.753 2.895 -7.746 1.00 0.33 C ATOM 815 O LYS A 88 2.689 3.438 -7.429 1.00 0.35 O ATOM 816 CB LYS A 88 4.592 2.605 -10.073 1.00 0.50 C ATOM 817 CG LYS A 88 5.268 3.200 -11.297 1.00 0.74 C ATOM 818 CD LYS A 88 4.467 4.356 -11.873 1.00 1.03 C ATOM 819 CE LYS A 88 5.018 4.797 -13.219 1.00 1.50 C ATOM 820 NZ LYS A 88 4.220 5.900 -13.819 1.00 1.89 N ATOM 0 H LYS A 88 6.697 3.102 -8.910 1.00 0.27 H new ATOM 0 HA LYS A 88 4.284 4.490 -9.088 1.00 0.36 H new ATOM 0 HB2 LYS A 88 5.063 1.649 -9.841 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.549 2.397 -10.314 1.00 0.50 H new ATOM 0 HG2 LYS A 88 6.266 3.546 -11.030 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.391 2.428 -12.057 1.00 0.74 H new ATOM 0 HD2 LYS A 88 3.425 4.058 -11.985 1.00 1.03 H new ATOM 0 HD3 LYS A 88 4.486 5.195 -11.178 1.00 1.03 H new ATOM 0 HE2 LYS A 88 6.051 5.123 -13.098 1.00 1.50 H new ATOM 0 HE3 LYS A 88 5.030 3.947 -13.901 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 4.632 6.168 -14.735 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 3.240 5.582 -13.960 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 4.229 6.722 -13.182 1.00 1.89 H new ATOM 834 N ILE A 89 4.209 1.783 -7.171 1.00 0.34 N ATOM 835 CA ILE A 89 3.465 1.085 -6.128 1.00 0.38 C ATOM 836 C ILE A 89 3.219 1.991 -4.920 1.00 0.30 C ATOM 837 O ILE A 89 2.098 2.088 -4.435 1.00 0.31 O ATOM 838 CB ILE A 89 4.192 -0.202 -5.661 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.408 -1.162 -6.835 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.408 -0.897 -4.552 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.124 -1.709 -7.422 1.00 0.71 C ATOM 0 H ILE A 89 5.098 1.345 -7.414 1.00 0.34 H new ATOM 0 HA ILE A 89 2.508 0.804 -6.568 1.00 0.38 H new ATOM 0 HB ILE A 89 5.166 0.089 -5.267 1.00 0.49 H new ATOM 0 HG12 ILE A 89 4.963 -0.645 -7.618 1.00 0.59 H new ATOM 0 HG13 ILE A 89 5.028 -1.995 -6.502 1.00 0.59 H new ATOM 0 HG21 ILE A 89 3.938 -1.797 -4.241 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.307 -0.223 -3.701 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.419 -1.168 -4.921 1.00 0.55 H new ATOM 0 HD11 ILE A 89 3.359 -2.380 -8.248 1.00 0.71 H new ATOM 0 HD12 ILE A 89 2.577 -2.256 -6.654 1.00 0.71 H new ATOM 0 HD13 ILE A 89 2.511 -0.885 -7.787 1.00 0.71 H new ATOM 853 N TRP A 90 4.263 2.661 -4.443 1.00 0.27 N ATOM 854 CA TRP A 90 4.144 3.527 -3.277 1.00 0.23 C ATOM 855 C TRP A 90 3.186 4.682 -3.547 1.00 0.26 C ATOM 856 O TRP A 90 2.328 5.000 -2.721 1.00 0.29 O ATOM 857 CB TRP A 90 5.515 4.077 -2.876 1.00 0.25 C ATOM 858 CG TRP A 90 5.466 4.944 -1.657 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.175 6.276 -1.612 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.714 4.540 -0.305 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.218 6.724 -0.317 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.545 5.678 0.506 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.056 3.328 0.295 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.708 5.638 1.886 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.218 3.290 1.667 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.041 4.438 2.450 1.00 0.33 C ATOM 0 H TRP A 90 5.199 2.621 -4.846 1.00 0.27 H new ATOM 0 HA TRP A 90 3.744 2.929 -2.458 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.195 3.245 -2.695 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.927 4.651 -3.706 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.944 6.888 -2.471 1.00 0.29 H new ATOM 0 HE1 TRP A 90 5.036 7.681 -0.015 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.191 2.437 -0.301 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.576 6.523 2.491 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.486 2.359 2.144 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.170 4.374 3.520 1.00 0.33 H new ATOM 877 N LYS A 91 3.334 5.302 -4.710 1.00 0.30 N ATOM 878 CA LYS A 91 2.533 6.464 -5.067 1.00 0.41 C ATOM 879 C LYS A 91 1.052 6.103 -5.182 1.00 0.41 C ATOM 880 O LYS A 91 0.185 6.952 -4.983 1.00 0.47 O ATOM 881 CB LYS A 91 3.018 7.054 -6.392 1.00 0.58 C ATOM 882 CG LYS A 91 2.403 8.409 -6.716 1.00 0.90 C ATOM 883 CD LYS A 91 2.712 8.840 -8.140 1.00 1.49 C ATOM 884 CE LYS A 91 1.975 7.983 -9.156 1.00 2.16 C ATOM 885 NZ LYS A 91 0.500 8.053 -8.973 1.00 2.70 N ATOM 0 H LYS A 91 4.004 5.018 -5.424 1.00 0.30 H new ATOM 0 HA LYS A 91 2.649 7.203 -4.274 1.00 0.41 H new ATOM 0 HB2 LYS A 91 4.103 7.155 -6.360 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.786 6.357 -7.197 1.00 0.58 H new ATOM 0 HG2 LYS A 91 1.323 8.361 -6.576 1.00 0.90 H new ATOM 0 HG3 LYS A 91 2.782 9.157 -6.019 1.00 0.90 H new ATOM 0 HD2 LYS A 91 2.432 9.885 -8.273 1.00 1.49 H new ATOM 0 HD3 LYS A 91 3.785 8.772 -8.316 1.00 1.49 H new ATOM 0 HE2 LYS A 91 2.232 8.311 -10.163 1.00 2.16 H new ATOM 0 HE3 LYS A 91 2.304 6.948 -9.065 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 0.027 7.737 -9.844 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 0.219 7.438 -8.183 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 0.222 9.033 -8.764 1.00 2.70 H new ATOM 899 N LEU A 92 0.774 4.851 -5.514 1.00 0.40 N ATOM 900 CA LEU A 92 -0.579 4.397 -5.741 1.00 0.47 C ATOM 901 C LEU A 92 -1.205 3.788 -4.478 1.00 0.46 C ATOM 902 O LEU A 92 -2.326 4.131 -4.108 1.00 0.61 O ATOM 903 CB LEU A 92 -0.551 3.381 -6.877 1.00 0.54 C ATOM 904 CG LEU A 92 -1.778 2.497 -6.975 1.00 0.97 C ATOM 905 CD1 LEU A 92 -2.981 3.287 -7.463 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.504 1.314 -7.883 1.00 1.66 C ATOM 0 H LEU A 92 1.482 4.127 -5.632 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.202 5.250 -6.008 1.00 0.47 H new ATOM 0 HB2 LEU A 92 -0.430 3.915 -7.819 1.00 0.54 H new ATOM 0 HB3 LEU A 92 0.327 2.746 -6.755 1.00 0.54 H new ATOM 0 HG LEU A 92 -2.010 2.121 -5.979 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -3.848 2.629 -7.524 1.00 1.51 H new ATOM 0 HD12 LEU A 92 -3.190 4.099 -6.766 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -2.769 3.701 -8.449 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -2.394 0.688 -7.944 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -1.244 1.672 -8.879 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -0.677 0.730 -7.480 1.00 1.66 H new ATOM 918 N ALA A 93 -0.471 2.889 -3.825 1.00 0.37 N ATOM 919 CA ALA A 93 -0.991 2.141 -2.680 1.00 0.42 C ATOM 920 C ALA A 93 -1.104 3.015 -1.435 1.00 0.38 C ATOM 921 O ALA A 93 -2.076 2.917 -0.684 1.00 0.43 O ATOM 922 CB ALA A 93 -0.113 0.930 -2.398 1.00 0.47 C ATOM 0 H ALA A 93 0.492 2.659 -4.071 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.995 1.803 -2.936 1.00 0.42 H new ATOM 0 HB1 ALA A 93 -0.511 0.383 -1.544 1.00 0.47 H new ATOM 0 HB2 ALA A 93 -0.100 0.279 -3.272 1.00 0.47 H new ATOM 0 HB3 ALA A 93 0.902 1.260 -2.176 1.00 0.47 H new ATOM 928 N ASP A 94 -0.107 3.858 -1.206 1.00 0.33 N ATOM 929 CA ASP A 94 -0.158 4.795 -0.092 1.00 0.35 C ATOM 930 C ASP A 94 -1.060 5.964 -0.469 1.00 0.32 C ATOM 931 O ASP A 94 -0.641 6.901 -1.149 1.00 0.37 O ATOM 932 CB ASP A 94 1.251 5.271 0.284 1.00 0.37 C ATOM 933 CG ASP A 94 1.259 6.370 1.333 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.785 6.137 2.473 1.00 0.46 O ATOM 935 OD2 ASP A 94 1.751 7.471 1.021 1.00 0.79 O ATOM 0 H ASP A 94 0.740 3.913 -1.771 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.572 4.298 0.786 1.00 0.35 H new ATOM 0 HB2 ASP A 94 1.826 4.422 0.654 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.756 5.631 -0.612 1.00 0.37 H new ATOM 940 N VAL A 95 -2.310 5.880 -0.050 1.00 0.35 N ATOM 941 CA VAL A 95 -3.335 6.822 -0.480 1.00 0.42 C ATOM 942 C VAL A 95 -3.220 8.137 0.274 1.00 0.50 C ATOM 943 O VAL A 95 -3.440 9.210 -0.285 1.00 0.61 O ATOM 944 CB VAL A 95 -4.750 6.240 -0.263 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.821 7.185 -0.792 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.872 4.870 -0.914 1.00 0.51 C ATOM 0 H VAL A 95 -2.645 5.163 0.594 1.00 0.35 H new ATOM 0 HA VAL A 95 -3.179 7.003 -1.544 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.905 6.127 0.810 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.806 6.749 -0.625 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.754 8.140 -0.270 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.671 7.344 -1.860 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.875 4.477 -0.750 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.687 4.958 -1.985 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -4.141 4.192 -0.474 1.00 0.51 H new ATOM 956 N ASP A 96 -2.859 8.049 1.542 1.00 0.49 N ATOM 957 CA ASP A 96 -2.820 9.226 2.397 1.00 0.59 C ATOM 958 C ASP A 96 -1.516 10.000 2.245 1.00 0.53 C ATOM 959 O ASP A 96 -1.405 11.127 2.729 1.00 0.67 O ATOM 960 CB ASP A 96 -3.067 8.845 3.865 1.00 0.66 C ATOM 961 CG ASP A 96 -2.311 7.603 4.303 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.228 7.312 3.746 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.802 6.905 5.204 1.00 0.96 O ATOM 0 H ASP A 96 -2.589 7.180 2.002 1.00 0.49 H new ATOM 0 HA ASP A 96 -3.624 9.887 2.074 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -2.778 9.680 4.503 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.134 8.683 4.016 1.00 0.66 H new ATOM 968 N LYS A 97 -0.541 9.391 1.569 1.00 0.40 N ATOM 969 CA LYS A 97 0.710 10.070 1.215 1.00 0.43 C ATOM 970 C LYS A 97 1.436 10.562 2.453 1.00 0.37 C ATOM 971 O LYS A 97 2.168 11.546 2.413 1.00 0.54 O ATOM 972 CB LYS A 97 0.421 11.231 0.264 1.00 0.65 C ATOM 973 CG LYS A 97 -0.353 10.801 -0.970 1.00 0.87 C ATOM 974 CD LYS A 97 0.530 10.561 -2.174 1.00 1.21 C ATOM 975 CE LYS A 97 1.791 9.761 -1.861 1.00 2.08 C ATOM 976 NZ LYS A 97 1.506 8.357 -1.459 1.00 2.96 N ATOM 0 H LYS A 97 -0.593 8.423 1.253 1.00 0.40 H new ATOM 0 HA LYS A 97 1.360 9.353 0.713 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -0.145 11.997 0.794 1.00 0.65 H new ATOM 0 HB3 LYS A 97 1.363 11.686 -0.043 1.00 0.65 H new ATOM 0 HG2 LYS A 97 -0.905 9.889 -0.745 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.089 11.567 -1.214 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -0.045 10.033 -2.935 1.00 1.21 H new ATOM 0 HD3 LYS A 97 0.817 11.522 -2.600 1.00 1.21 H new ATOM 0 HE2 LYS A 97 2.439 9.757 -2.738 1.00 2.08 H new ATOM 0 HE3 LYS A 97 2.340 10.258 -1.061 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 2.054 8.122 -0.607 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 0.491 8.253 -1.257 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 1.773 7.714 -2.231 1.00 2.96 H new ATOM 990 N ASP A 98 1.261 9.835 3.539 1.00 0.36 N ATOM 991 CA ASP A 98 1.777 10.253 4.829 1.00 0.37 C ATOM 992 C ASP A 98 3.218 9.791 5.024 1.00 0.36 C ATOM 993 O ASP A 98 3.781 9.922 6.112 1.00 0.41 O ATOM 994 CB ASP A 98 0.882 9.696 5.941 1.00 0.42 C ATOM 995 CG ASP A 98 1.013 8.193 6.134 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.845 7.426 5.149 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.250 7.772 7.278 1.00 0.43 O ATOM 0 H ASP A 98 0.762 8.946 3.554 1.00 0.36 H new ATOM 0 HA ASP A 98 1.772 11.342 4.870 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.127 10.197 6.878 1.00 0.42 H new ATOM 0 HB3 ASP A 98 -0.157 9.935 5.714 1.00 0.42 H new ATOM 1002 N GLY A 99 3.821 9.284 3.950 1.00 0.35 N ATOM 1003 CA GLY A 99 5.188 8.788 4.011 1.00 0.41 C ATOM 1004 C GLY A 99 5.317 7.550 4.875 1.00 0.41 C ATOM 1005 O GLY A 99 6.425 7.092 5.168 1.00 0.44 O ATOM 0 H GLY A 99 3.383 9.207 3.032 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.534 8.561 3.003 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.838 9.570 4.403 1.00 0.41 H new ATOM 1009 N LEU A 100 4.178 7.010 5.273 1.00 0.46 N ATOM 1010 CA LEU A 100 4.123 5.825 6.102 1.00 0.48 C ATOM 1011 C LEU A 100 3.073 4.879 5.549 1.00 0.38 C ATOM 1012 O LEU A 100 2.212 5.279 4.760 1.00 0.40 O ATOM 1013 CB LEU A 100 3.778 6.204 7.548 1.00 0.61 C ATOM 1014 CG LEU A 100 4.755 7.168 8.230 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.199 7.627 9.568 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.120 6.516 8.414 1.00 0.88 C ATOM 0 H LEU A 100 3.262 7.386 5.027 1.00 0.46 H new ATOM 0 HA LEU A 100 5.097 5.335 6.096 1.00 0.48 H new ATOM 0 HB2 LEU A 100 2.785 6.653 7.560 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.723 5.291 8.141 1.00 0.61 H new ATOM 0 HG LEU A 100 4.879 8.040 7.588 1.00 0.60 H new ATOM 0 HD11 LEU A 100 4.904 8.311 10.040 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.249 8.137 9.411 1.00 1.11 H new ATOM 0 HD13 LEU A 100 4.045 6.763 10.214 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.797 7.219 8.900 1.00 0.88 H new ATOM 0 HD22 LEU A 100 6.017 5.625 9.033 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.524 6.237 7.441 1.00 0.88 H new ATOM 1028 N LEU A 101 3.146 3.628 5.934 1.00 0.35 N ATOM 1029 CA LEU A 101 2.150 2.668 5.517 1.00 0.31 C ATOM 1030 C LEU A 101 1.420 2.121 6.724 1.00 0.34 C ATOM 1031 O LEU A 101 2.050 1.619 7.660 1.00 0.42 O ATOM 1032 CB LEU A 101 2.788 1.522 4.728 1.00 0.33 C ATOM 1033 CG LEU A 101 3.364 1.902 3.362 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.975 0.680 2.691 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.285 2.507 2.476 1.00 0.30 C ATOM 0 H LEU A 101 3.881 3.251 6.533 1.00 0.35 H new ATOM 0 HA LEU A 101 1.439 3.176 4.866 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.586 1.089 5.331 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.039 0.743 4.583 1.00 0.33 H new ATOM 0 HG LEU A 101 4.145 2.648 3.511 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.381 0.963 1.720 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.774 0.283 3.317 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.208 -0.082 2.555 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.714 2.771 1.509 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.484 1.782 2.332 1.00 0.30 H new ATOM 0 HD23 LEU A 101 1.884 3.402 2.951 1.00 0.30 H new ATOM 1047 N ASP A 102 0.097 2.223 6.703 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.727 1.600 7.731 1.00 0.39 C ATOM 1049 C ASP A 102 -0.642 0.096 7.556 1.00 0.24 C ATOM 1050 O ASP A 102 -0.087 -0.375 6.561 1.00 0.20 O ATOM 1051 CB ASP A 102 -2.198 2.021 7.598 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.435 3.513 7.716 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.621 4.010 8.844 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.485 4.189 6.670 1.00 0.97 O ATOM 0 H ASP A 102 -0.427 2.729 5.989 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.364 1.913 8.710 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.575 1.681 6.634 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.780 1.511 8.366 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.199 -0.665 8.484 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.203 -2.115 8.336 1.00 0.29 C ATOM 1061 C ASP A 103 -2.014 -2.491 7.097 1.00 0.25 C ATOM 1062 O ASP A 103 -1.686 -3.445 6.388 1.00 0.28 O ATOM 1063 CB ASP A 103 -1.740 -2.818 9.597 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.247 -2.717 9.767 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -3.974 -3.524 9.146 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -3.710 -1.825 10.504 1.00 1.60 O ATOM 0 H ASP A 103 -1.646 -0.315 9.331 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.176 -2.457 8.208 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.458 -3.870 9.561 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -1.256 -2.388 10.474 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.041 -1.693 6.810 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.837 -1.875 5.609 1.00 0.28 C ATOM 1073 C GLU A 104 -3.053 -1.455 4.364 1.00 0.23 C ATOM 1074 O GLU A 104 -3.046 -2.171 3.363 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.137 -1.073 5.696 1.00 0.37 C ATOM 1076 CG GLU A 104 -6.077 -1.529 6.803 1.00 0.59 C ATOM 1077 CD GLU A 104 -7.358 -0.721 6.837 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -7.321 0.445 7.284 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -8.411 -1.254 6.424 1.00 1.66 O ATOM 0 H GLU A 104 -3.338 -0.914 7.398 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.079 -2.935 5.529 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.893 -0.022 5.852 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.658 -1.141 4.741 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -6.318 -2.583 6.661 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -5.571 -1.444 7.765 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.380 -0.302 4.422 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.659 0.204 3.255 1.00 0.24 C ATOM 1088 C GLU A 105 -0.514 -0.733 2.889 1.00 0.18 C ATOM 1089 O GLU A 105 -0.260 -0.986 1.712 1.00 0.18 O ATOM 1090 CB GLU A 105 -1.116 1.627 3.480 1.00 0.33 C ATOM 1091 CG GLU A 105 -2.182 2.667 3.781 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.714 4.094 3.522 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.689 4.528 4.113 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -2.375 4.793 2.724 1.00 0.44 O ATOM 0 H GLU A 105 -2.320 0.289 5.251 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.373 0.247 2.432 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.405 1.605 4.306 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.564 1.937 2.592 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -3.062 2.463 3.171 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.488 2.575 4.823 1.00 0.33 H new ATOM 1101 N PHE A 106 0.166 -1.255 3.903 1.00 0.18 N ATOM 1102 CA PHE A 106 1.240 -2.208 3.683 1.00 0.17 C ATOM 1103 C PHE A 106 0.687 -3.493 3.090 1.00 0.18 C ATOM 1104 O PHE A 106 1.294 -4.078 2.194 1.00 0.23 O ATOM 1105 CB PHE A 106 1.974 -2.513 4.985 1.00 0.18 C ATOM 1106 CG PHE A 106 3.040 -3.556 4.830 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.252 -3.243 4.236 1.00 0.35 C ATOM 1108 CD2 PHE A 106 2.830 -4.850 5.276 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.232 -4.202 4.089 1.00 0.42 C ATOM 1110 CE2 PHE A 106 3.807 -5.814 5.133 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.016 -5.484 4.547 1.00 0.42 C ATOM 0 H PHE A 106 -0.009 -1.033 4.883 1.00 0.18 H new ATOM 0 HA PHE A 106 1.948 -1.764 2.983 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.424 -1.596 5.365 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.253 -2.847 5.732 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.431 -2.238 3.885 1.00 0.35 H new ATOM 0 HD2 PHE A 106 1.890 -5.108 5.741 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.169 -3.949 3.615 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.629 -6.822 5.477 1.00 0.42 H new ATOM 0 HZ PHE A 106 5.790 -6.231 4.448 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.462 -3.925 3.594 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.134 -5.097 3.054 1.00 0.19 C ATOM 1123 C ALA A 107 -1.450 -4.903 1.573 1.00 0.18 C ATOM 1124 O ALA A 107 -1.181 -5.782 0.753 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.405 -5.393 3.836 1.00 0.21 C ATOM 0 H ALA A 107 -0.946 -3.481 4.374 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.463 -5.950 3.152 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -2.893 -6.273 3.417 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.155 -5.580 4.880 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.079 -4.539 3.772 1.00 0.21 H new ATOM 1131 N LEU A 108 -2.016 -3.743 1.236 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.341 -3.413 -0.152 1.00 0.19 C ATOM 1133 C LEU A 108 -1.083 -3.372 -1.012 1.00 0.20 C ATOM 1134 O LEU A 108 -1.053 -3.934 -2.111 1.00 0.23 O ATOM 1135 CB LEU A 108 -3.066 -2.064 -0.223 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.393 -1.562 -1.634 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.286 -2.544 -2.372 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -4.058 -0.200 -1.567 1.00 1.14 C ATOM 0 H LEU A 108 -2.259 -3.015 1.907 1.00 0.17 H new ATOM 0 HA LEU A 108 -2.998 -4.192 -0.539 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.996 -2.141 0.340 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -2.452 -1.315 0.277 1.00 0.23 H new ATOM 0 HG LEU A 108 -2.457 -1.474 -2.185 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.501 -2.161 -3.370 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -3.780 -3.506 -2.454 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -5.219 -2.671 -1.823 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -4.285 0.144 -2.576 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -4.982 -0.274 -0.993 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -3.386 0.510 -1.084 1.00 1.14 H new ATOM 1150 N ALA A 109 -0.048 -2.714 -0.501 1.00 0.23 N ATOM 1151 CA ALA A 109 1.227 -2.638 -1.199 1.00 0.28 C ATOM 1152 C ALA A 109 1.754 -4.034 -1.503 1.00 0.29 C ATOM 1153 O ALA A 109 1.978 -4.375 -2.658 1.00 0.32 O ATOM 1154 CB ALA A 109 2.244 -1.858 -0.379 1.00 0.32 C ATOM 0 H ALA A 109 -0.069 -2.226 0.394 1.00 0.23 H new ATOM 0 HA ALA A 109 1.068 -2.113 -2.141 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.190 -1.813 -0.919 1.00 0.32 H new ATOM 0 HB2 ALA A 109 1.875 -0.846 -0.209 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.397 -2.355 0.579 1.00 0.32 H new ATOM 1160 N ASN A 110 1.917 -4.840 -0.453 1.00 0.30 N ATOM 1161 CA ASN A 110 2.407 -6.211 -0.575 1.00 0.33 C ATOM 1162 C ASN A 110 1.542 -7.027 -1.523 1.00 0.33 C ATOM 1163 O ASN A 110 2.043 -7.876 -2.259 1.00 0.39 O ATOM 1164 CB ASN A 110 2.416 -6.884 0.794 1.00 0.36 C ATOM 1165 CG ASN A 110 3.659 -7.711 1.015 1.00 0.58 C ATOM 1166 OD1 ASN A 110 3.718 -8.891 0.676 1.00 1.20 O ATOM 1167 ND2 ASN A 110 4.663 -7.082 1.587 1.00 0.71 N ATOM 0 H ASN A 110 1.713 -4.559 0.506 1.00 0.30 H new ATOM 0 HA ASN A 110 3.419 -6.167 -0.978 1.00 0.33 H new ATOM 0 HB2 ASN A 110 2.345 -6.123 1.571 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.536 -7.521 0.890 1.00 0.36 H new ATOM 0 HD21 ASN A 110 5.538 -7.575 1.767 1.00 0.71 H new ATOM 0 HD22 ASN A 110 4.567 -6.101 1.851 1.00 0.71 H new ATOM 1174 N HIS A 111 0.240 -6.769 -1.496 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.702 -7.484 -2.348 1.00 0.30 C ATOM 1176 C HIS A 111 -0.407 -7.195 -3.817 1.00 0.33 C ATOM 1177 O HIS A 111 -0.479 -8.091 -4.657 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.143 -7.080 -2.021 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.161 -8.144 -2.329 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.294 -9.299 -1.586 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -4.104 -8.218 -3.299 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.280 -10.029 -2.080 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.784 -9.396 -3.118 1.00 0.45 N ATOM 0 H HIS A 111 -0.188 -6.068 -0.891 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.588 -8.552 -2.162 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.207 -6.826 -0.963 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.393 -6.179 -2.581 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -4.287 -7.486 -4.071 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -4.614 -10.982 -1.697 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.556 -9.728 -3.695 1.00 0.45 H new ATOM 1192 N LEU A 112 -0.074 -5.943 -4.115 1.00 0.27 N ATOM 1193 CA LEU A 112 0.268 -5.541 -5.475 1.00 0.32 C ATOM 1194 C LEU A 112 1.655 -6.054 -5.851 1.00 0.36 C ATOM 1195 O LEU A 112 1.880 -6.505 -6.975 1.00 0.40 O ATOM 1196 CB LEU A 112 0.224 -4.017 -5.612 1.00 0.36 C ATOM 1197 CG LEU A 112 -1.137 -3.376 -5.340 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -1.044 -1.862 -5.457 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -2.188 -3.920 -6.298 1.00 0.52 C ATOM 0 H LEU A 112 -0.034 -5.188 -3.431 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.466 -5.977 -6.153 1.00 0.32 H new ATOM 0 HB2 LEU A 112 0.954 -3.586 -4.927 1.00 0.36 H new ATOM 0 HB3 LEU A 112 0.538 -3.750 -6.621 1.00 0.36 H new ATOM 0 HG LEU A 112 -1.437 -3.628 -4.323 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -2.021 -1.421 -5.260 1.00 0.55 H new ATOM 0 HD12 LEU A 112 -0.323 -1.485 -4.732 1.00 0.55 H new ATOM 0 HD13 LEU A 112 -0.721 -1.594 -6.463 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -3.149 -3.451 -6.088 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.894 -3.700 -7.324 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -2.274 -4.999 -6.169 1.00 0.52 H new ATOM 1211 N ILE A 113 2.578 -5.990 -4.899 1.00 0.39 N ATOM 1212 CA ILE A 113 3.930 -6.494 -5.112 1.00 0.49 C ATOM 1213 C ILE A 113 3.893 -7.972 -5.479 1.00 0.54 C ATOM 1214 O ILE A 113 4.497 -8.408 -6.463 1.00 0.60 O ATOM 1215 CB ILE A 113 4.813 -6.342 -3.858 1.00 0.55 C ATOM 1216 CG1 ILE A 113 4.801 -4.911 -3.327 1.00 0.57 C ATOM 1217 CG2 ILE A 113 6.235 -6.763 -4.180 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.521 -4.761 -2.004 1.00 0.84 C ATOM 0 H ILE A 113 2.416 -5.595 -3.973 1.00 0.39 H new ATOM 0 HA ILE A 113 4.356 -5.901 -5.922 1.00 0.49 H new ATOM 0 HB ILE A 113 4.404 -6.986 -3.080 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.265 -4.253 -4.062 1.00 0.57 H new ATOM 0 HG13 ILE A 113 3.768 -4.582 -3.211 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.857 -6.654 -3.291 1.00 0.73 H new ATOM 0 HG22 ILE A 113 6.242 -7.804 -4.503 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.629 -6.133 -4.978 1.00 0.73 H new ATOM 0 HD11 ILE A 113 5.476 -3.721 -1.681 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.043 -5.394 -1.256 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.563 -5.060 -2.121 1.00 0.84 H new ATOM 1230 N LYS A 114 3.161 -8.737 -4.683 1.00 0.56 N ATOM 1231 CA LYS A 114 3.079 -10.173 -4.870 1.00 0.70 C ATOM 1232 C LYS A 114 2.267 -10.512 -6.115 1.00 0.66 C ATOM 1233 O LYS A 114 2.453 -11.572 -6.710 1.00 0.68 O ATOM 1234 CB LYS A 114 2.475 -10.848 -3.637 1.00 0.86 C ATOM 1235 CG LYS A 114 3.443 -11.761 -2.887 1.00 1.54 C ATOM 1236 CD LYS A 114 4.285 -11.030 -1.835 1.00 2.03 C ATOM 1237 CE LYS A 114 5.294 -10.058 -2.442 1.00 2.96 C ATOM 1238 NZ LYS A 114 6.272 -9.557 -1.429 1.00 3.83 N ATOM 0 H LYS A 114 2.614 -8.383 -3.899 1.00 0.56 H new ATOM 0 HA LYS A 114 4.091 -10.553 -5.007 1.00 0.70 H new ATOM 0 HB2 LYS A 114 2.116 -10.078 -2.954 1.00 0.86 H new ATOM 0 HB3 LYS A 114 1.607 -11.431 -3.944 1.00 0.86 H new ATOM 0 HG2 LYS A 114 2.877 -12.555 -2.400 1.00 1.54 H new ATOM 0 HG3 LYS A 114 4.109 -12.239 -3.605 1.00 1.54 H new ATOM 0 HD2 LYS A 114 3.622 -10.484 -1.164 1.00 2.03 H new ATOM 0 HD3 LYS A 114 4.816 -11.764 -1.230 1.00 2.03 H new ATOM 0 HE2 LYS A 114 5.832 -10.553 -3.251 1.00 2.96 H new ATOM 0 HE3 LYS A 114 4.764 -9.213 -2.882 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 7.086 -9.128 -1.914 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 5.813 -8.844 -0.826 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 6.599 -10.350 -0.840 1.00 3.83 H new ATOM 1252 N VAL A 115 1.376 -9.607 -6.514 1.00 0.64 N ATOM 1253 CA VAL A 115 0.593 -9.808 -7.726 1.00 0.70 C ATOM 1254 C VAL A 115 1.483 -9.618 -8.953 1.00 0.71 C ATOM 1255 O VAL A 115 1.301 -10.279 -9.980 1.00 0.82 O ATOM 1256 CB VAL A 115 -0.645 -8.867 -7.785 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -0.442 -7.692 -8.738 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -1.890 -9.653 -8.167 1.00 1.07 C ATOM 0 H VAL A 115 1.181 -8.736 -6.020 1.00 0.64 H new ATOM 0 HA VAL A 115 0.211 -10.829 -7.715 1.00 0.70 H new ATOM 0 HB VAL A 115 -0.776 -8.448 -6.787 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -1.335 -7.068 -8.741 1.00 1.19 H new ATOM 0 HG12 VAL A 115 0.413 -7.101 -8.410 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -0.258 -8.068 -9.745 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -2.747 -8.981 -8.204 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -1.745 -10.111 -9.146 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -2.071 -10.431 -7.425 1.00 1.07 H new ATOM 1268 N LYS A 116 2.457 -8.713 -8.838 1.00 0.65 N ATOM 1269 CA LYS A 116 3.456 -8.541 -9.864 1.00 0.73 C ATOM 1270 C LYS A 116 4.323 -9.788 -9.958 1.00 0.76 C ATOM 1271 O LYS A 116 4.678 -10.229 -11.050 1.00 0.90 O ATOM 1272 CB LYS A 116 4.319 -7.322 -9.549 1.00 0.72 C ATOM 1273 CG LYS A 116 4.960 -6.715 -10.774 1.00 0.95 C ATOM 1274 CD LYS A 116 3.901 -6.316 -11.776 1.00 0.93 C ATOM 1275 CE LYS A 116 4.516 -5.714 -13.014 1.00 1.06 C ATOM 1276 NZ LYS A 116 5.423 -6.665 -13.717 1.00 1.32 N ATOM 0 H LYS A 116 2.565 -8.091 -8.037 1.00 0.65 H new ATOM 0 HA LYS A 116 2.961 -8.384 -10.822 1.00 0.73 H new ATOM 0 HB2 LYS A 116 3.705 -6.568 -9.056 1.00 0.72 H new ATOM 0 HB3 LYS A 116 5.099 -7.609 -8.843 1.00 0.72 H new ATOM 0 HG2 LYS A 116 5.549 -5.843 -10.490 1.00 0.95 H new ATOM 0 HG3 LYS A 116 5.647 -7.431 -11.226 1.00 0.95 H new ATOM 0 HD2 LYS A 116 3.309 -7.189 -12.050 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.219 -5.598 -11.321 1.00 0.93 H new ATOM 0 HE2 LYS A 116 3.724 -5.401 -13.694 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.074 -4.818 -12.741 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 5.660 -6.288 -14.657 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 6.295 -6.787 -13.163 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 4.948 -7.584 -13.822 1.00 1.32 H new ATOM 1290 N LEU A 117 4.645 -10.366 -8.801 1.00 0.67 N ATOM 1291 CA LEU A 117 5.410 -11.613 -8.748 1.00 0.74 C ATOM 1292 C LEU A 117 4.605 -12.763 -9.355 1.00 0.78 C ATOM 1293 O LEU A 117 5.165 -13.758 -9.809 1.00 0.85 O ATOM 1294 CB LEU A 117 5.793 -11.957 -7.304 1.00 0.74 C ATOM 1295 CG LEU A 117 6.658 -10.924 -6.575 1.00 0.79 C ATOM 1296 CD1 LEU A 117 7.007 -11.417 -5.178 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.924 -10.629 -7.359 1.00 0.96 C ATOM 0 H LEU A 117 4.388 -9.991 -7.888 1.00 0.67 H new ATOM 0 HA LEU A 117 6.322 -11.471 -9.328 1.00 0.74 H new ATOM 0 HB2 LEU A 117 4.877 -12.104 -6.731 1.00 0.74 H new ATOM 0 HB3 LEU A 117 6.324 -12.909 -7.307 1.00 0.74 H new ATOM 0 HG LEU A 117 6.085 -10.001 -6.489 1.00 0.79 H new ATOM 0 HD11 LEU A 117 7.622 -10.672 -4.672 1.00 0.90 H new ATOM 0 HD12 LEU A 117 6.091 -11.578 -4.610 1.00 0.90 H new ATOM 0 HD13 LEU A 117 7.558 -12.354 -5.250 1.00 0.90 H new ATOM 0 HD21 LEU A 117 8.522 -9.893 -6.821 1.00 0.96 H new ATOM 0 HD22 LEU A 117 8.500 -11.547 -7.479 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.661 -10.235 -8.341 1.00 0.96 H new ATOM 1309 N GLU A 118 3.286 -12.608 -9.362 1.00 0.78 N ATOM 1310 CA GLU A 118 2.390 -13.598 -9.948 1.00 0.90 C ATOM 1311 C GLU A 118 2.356 -13.481 -11.469 1.00 1.00 C ATOM 1312 O GLU A 118 1.748 -14.307 -12.148 1.00 1.17 O ATOM 1313 CB GLU A 118 0.977 -13.433 -9.388 1.00 0.95 C ATOM 1314 CG GLU A 118 0.775 -14.071 -8.026 1.00 1.31 C ATOM 1315 CD GLU A 118 0.912 -15.574 -8.080 1.00 1.52 C ATOM 1316 OE1 GLU A 118 -0.049 -16.239 -8.505 1.00 1.90 O ATOM 1317 OE2 GLU A 118 1.976 -16.091 -7.674 1.00 2.18 O ATOM 0 H GLU A 118 2.810 -11.798 -8.964 1.00 0.78 H new ATOM 0 HA GLU A 118 2.770 -14.586 -9.686 1.00 0.90 H new ATOM 0 HB2 GLU A 118 0.747 -12.370 -9.318 1.00 0.95 H new ATOM 0 HB3 GLU A 118 0.266 -13.867 -10.090 1.00 0.95 H new ATOM 0 HG2 GLU A 118 1.504 -13.665 -7.324 1.00 1.31 H new ATOM 0 HG3 GLU A 118 -0.213 -13.810 -7.646 1.00 1.31 H new ATOM 1324 N GLY A 119 3.000 -12.448 -11.994 1.00 0.95 N ATOM 1325 CA GLY A 119 3.015 -12.238 -13.427 1.00 1.06 C ATOM 1326 C GLY A 119 1.809 -11.456 -13.902 1.00 1.06 C ATOM 1327 O GLY A 119 1.394 -11.578 -15.052 1.00 1.16 O ATOM 0 H GLY A 119 3.512 -11.752 -11.453 1.00 0.95 H new ATOM 0 HA2 GLY A 119 3.924 -11.705 -13.705 1.00 1.06 H new ATOM 0 HA3 GLY A 119 3.043 -13.203 -13.934 1.00 1.06 H new ATOM 1331 N HIS A 120 1.238 -10.656 -13.009 1.00 0.96 N ATOM 1332 CA HIS A 120 0.099 -9.821 -13.355 1.00 0.97 C ATOM 1333 C HIS A 120 0.513 -8.359 -13.380 1.00 0.94 C ATOM 1334 O HIS A 120 1.451 -7.959 -12.688 1.00 0.95 O ATOM 1335 CB HIS A 120 -1.054 -10.004 -12.359 1.00 0.94 C ATOM 1336 CG HIS A 120 -1.596 -11.396 -12.290 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -1.404 -12.367 -11.372 1.00 1.80 N flip ATOM 1338 CD2 HIS A 120 -2.451 -11.926 -13.230 1.00 1.83 C flip ATOM 1339 CE1 HIS A 120 -2.136 -13.454 -11.767 1.00 2.36 C flip ATOM 1340 NE2 HIS A 120 -2.757 -13.164 -12.892 1.00 2.42 N flip ATOM 0 H HIS A 120 1.547 -10.569 -12.041 1.00 0.96 H new ATOM 0 HA HIS A 120 -0.246 -10.126 -14.343 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -0.711 -9.711 -11.367 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.863 -9.325 -12.630 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -2.814 -11.410 -14.106 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -2.195 -14.396 -11.242 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -3.370 -13.790 -13.413 1.00 2.42 H new ATOM 1349 N GLU A 121 -0.176 -7.577 -14.186 1.00 1.03 N ATOM 1350 CA GLU A 121 0.061 -6.151 -14.261 1.00 1.05 C ATOM 1351 C GLU A 121 -1.098 -5.406 -13.609 1.00 0.98 C ATOM 1352 O GLU A 121 -2.212 -5.929 -13.518 1.00 1.14 O ATOM 1353 CB GLU A 121 0.228 -5.726 -15.721 1.00 1.25 C ATOM 1354 CG GLU A 121 0.651 -4.281 -15.895 1.00 1.61 C ATOM 1355 CD GLU A 121 0.888 -3.924 -17.343 1.00 1.79 C ATOM 1356 OE1 GLU A 121 2.029 -4.089 -17.819 1.00 1.77 O ATOM 1357 OE2 GLU A 121 -0.064 -3.479 -18.014 1.00 2.53 O ATOM 0 H GLU A 121 -0.914 -7.912 -14.806 1.00 1.03 H new ATOM 0 HA GLU A 121 0.978 -5.905 -13.726 1.00 1.05 H new ATOM 0 HB2 GLU A 121 0.968 -6.371 -16.195 1.00 1.25 H new ATOM 0 HB3 GLU A 121 -0.714 -5.884 -16.245 1.00 1.25 H new ATOM 0 HG2 GLU A 121 -0.118 -3.627 -15.483 1.00 1.61 H new ATOM 0 HG3 GLU A 121 1.562 -4.100 -15.325 1.00 1.61 H new ATOM 1364 N LEU A 122 -0.837 -4.194 -13.153 1.00 0.90 N ATOM 1365 CA LEU A 122 -1.850 -3.412 -12.473 1.00 0.87 C ATOM 1366 C LEU A 122 -2.128 -2.123 -13.240 1.00 0.93 C ATOM 1367 O LEU A 122 -1.202 -1.409 -13.619 1.00 1.02 O ATOM 1368 CB LEU A 122 -1.447 -3.104 -11.018 1.00 0.89 C ATOM 1369 CG LEU A 122 -0.094 -2.409 -10.816 1.00 1.05 C ATOM 1370 CD1 LEU A 122 -0.120 -1.576 -9.547 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.038 -3.428 -10.731 1.00 1.16 C ATOM 0 H LEU A 122 0.068 -3.731 -13.242 1.00 0.90 H new ATOM 0 HA LEU A 122 -2.764 -4.005 -12.440 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -2.222 -2.479 -10.574 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -1.436 -4.041 -10.461 1.00 0.89 H new ATOM 0 HG LEU A 122 0.083 -1.762 -11.675 1.00 1.05 H new ATOM 0 HD11 LEU A 122 0.845 -1.087 -9.413 1.00 1.33 H new ATOM 0 HD12 LEU A 122 -0.902 -0.821 -9.624 1.00 1.33 H new ATOM 0 HD13 LEU A 122 -0.322 -2.221 -8.692 1.00 1.33 H new ATOM 0 HD21 LEU A 122 1.985 -2.908 -10.588 1.00 1.16 H new ATOM 0 HD22 LEU A 122 0.861 -4.099 -9.890 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.077 -4.006 -11.654 1.00 1.16 H new ATOM 1383 N PRO A 123 -3.417 -1.816 -13.468 1.00 0.97 N ATOM 1384 CA PRO A 123 -3.842 -0.641 -14.247 1.00 1.06 C ATOM 1385 C PRO A 123 -3.608 0.683 -13.525 1.00 1.07 C ATOM 1386 O PRO A 123 -3.922 1.745 -14.059 1.00 1.18 O ATOM 1387 CB PRO A 123 -5.347 -0.862 -14.427 1.00 1.18 C ATOM 1388 CG PRO A 123 -5.747 -1.727 -13.284 1.00 1.33 C ATOM 1389 CD PRO A 123 -4.566 -2.609 -12.995 1.00 1.02 C ATOM 0 HA PRO A 123 -3.275 -0.563 -15.175 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -5.889 0.084 -14.415 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -5.564 -1.342 -15.381 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -6.007 -1.126 -12.413 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -6.625 -2.322 -13.534 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -4.486 -2.836 -11.932 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -4.639 -3.562 -13.520 1.00 1.02 H new ATOM 1397 N ALA A 124 -3.064 0.606 -12.310 1.00 1.00 N ATOM 1398 CA ALA A 124 -2.871 1.781 -11.458 1.00 1.07 C ATOM 1399 C ALA A 124 -4.218 2.408 -11.105 1.00 1.11 C ATOM 1400 O ALA A 124 -4.305 3.575 -10.730 1.00 1.25 O ATOM 1401 CB ALA A 124 -1.948 2.797 -12.124 1.00 1.23 C ATOM 0 H ALA A 124 -2.746 -0.267 -11.890 1.00 1.00 H new ATOM 0 HA ALA A 124 -2.391 1.459 -10.534 1.00 1.07 H new ATOM 0 HB1 ALA A 124 -1.823 3.659 -11.469 1.00 1.23 H new ATOM 0 HB2 ALA A 124 -0.977 2.339 -12.311 1.00 1.23 H new ATOM 0 HB3 ALA A 124 -2.384 3.120 -13.069 1.00 1.23 H new ATOM 1407 N ASP A 125 -5.264 1.598 -11.220 1.00 1.06 N ATOM 1408 CA ASP A 125 -6.618 2.017 -10.896 1.00 1.15 C ATOM 1409 C ASP A 125 -6.999 1.421 -9.554 1.00 1.07 C ATOM 1410 O ASP A 125 -6.610 0.293 -9.251 1.00 1.04 O ATOM 1411 CB ASP A 125 -7.593 1.539 -11.982 1.00 1.24 C ATOM 1412 CG ASP A 125 -9.007 2.055 -11.784 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -9.763 1.469 -10.982 1.00 2.73 O ATOM 1414 OD2 ASP A 125 -9.380 3.036 -12.456 1.00 2.11 O ATOM 0 H ASP A 125 -5.195 0.632 -11.541 1.00 1.06 H new ATOM 0 HA ASP A 125 -6.668 3.105 -10.846 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -7.228 1.862 -12.957 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -7.609 0.449 -11.993 1.00 1.24 H new ATOM 1419 N LEU A 126 -7.734 2.168 -8.750 1.00 1.07 N ATOM 1420 CA LEU A 126 -8.150 1.677 -7.445 1.00 1.02 C ATOM 1421 C LEU A 126 -9.662 1.526 -7.367 1.00 1.10 C ATOM 1422 O LEU A 126 -10.374 2.477 -7.035 1.00 1.20 O ATOM 1423 CB LEU A 126 -7.656 2.597 -6.332 1.00 1.00 C ATOM 1424 CG LEU A 126 -6.155 2.537 -6.072 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -5.789 3.411 -4.892 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -5.709 1.100 -5.837 1.00 1.66 C ATOM 0 H LEU A 126 -8.054 3.110 -8.974 1.00 1.07 H new ATOM 0 HA LEU A 126 -7.701 0.693 -7.309 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -7.927 3.623 -6.581 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -8.181 2.344 -5.411 1.00 1.00 H new ATOM 0 HG LEU A 126 -5.636 2.914 -6.953 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -4.714 3.357 -4.719 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -6.072 4.443 -5.102 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -6.317 3.063 -4.004 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -4.635 1.078 -5.653 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -6.233 0.693 -4.972 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -5.939 0.499 -6.717 1.00 1.66 H new ATOM 1438 N PRO A 127 -10.172 0.334 -7.711 1.00 1.08 N ATOM 1439 CA PRO A 127 -11.585 0.004 -7.547 1.00 1.16 C ATOM 1440 C PRO A 127 -11.951 -0.170 -6.073 1.00 1.08 C ATOM 1441 O PRO A 127 -11.084 -0.445 -5.243 1.00 0.96 O ATOM 1442 CB PRO A 127 -11.736 -1.324 -8.296 1.00 1.17 C ATOM 1443 CG PRO A 127 -10.374 -1.923 -8.301 1.00 1.11 C ATOM 1444 CD PRO A 127 -9.405 -0.775 -8.301 1.00 1.03 C ATOM 0 HA PRO A 127 -12.240 0.789 -7.925 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -12.452 -1.978 -7.799 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -12.101 -1.165 -9.311 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -10.225 -2.557 -7.427 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -10.230 -2.553 -9.179 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -8.515 -1.003 -7.714 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -9.068 -0.536 -9.310 1.00 1.03 H new ATOM 1452 N PRO A 128 -13.242 -0.022 -5.731 1.00 1.19 N ATOM 1453 CA PRO A 128 -13.724 -0.106 -4.344 1.00 1.21 C ATOM 1454 C PRO A 128 -13.289 -1.378 -3.604 1.00 1.10 C ATOM 1455 O PRO A 128 -13.116 -1.360 -2.388 1.00 1.18 O ATOM 1456 CB PRO A 128 -15.247 -0.069 -4.497 1.00 1.37 C ATOM 1457 CG PRO A 128 -15.473 0.666 -5.771 1.00 1.54 C ATOM 1458 CD PRO A 128 -14.336 0.281 -6.672 1.00 1.37 C ATOM 0 HA PRO A 128 -13.310 0.701 -3.739 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -15.667 -1.074 -4.538 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -15.719 0.439 -3.656 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -16.432 0.396 -6.214 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -15.492 1.743 -5.603 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -14.586 -0.582 -7.288 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -14.069 1.091 -7.351 1.00 1.37 H new ATOM 1466 N HIS A 129 -13.096 -2.477 -4.327 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.702 -3.730 -3.682 1.00 0.97 C ATOM 1468 C HIS A 129 -11.188 -3.790 -3.449 1.00 0.84 C ATOM 1469 O HIS A 129 -10.669 -4.791 -2.954 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.183 -4.965 -4.475 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.675 -5.072 -5.883 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -11.421 -5.219 -6.366 1.00 1.07 N flip ATOM 1473 CD2 HIS A 129 -13.506 -5.083 -6.981 1.00 0.84 C flip ATOM 1474 CE1 HIS A 129 -11.516 -5.310 -7.730 1.00 1.02 C flip ATOM 1475 NE2 HIS A 129 -12.786 -5.222 -8.074 1.00 0.89 N flip ATOM 0 H HIS A 129 -13.203 -2.529 -5.340 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.195 -3.751 -2.710 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -12.885 -5.862 -3.932 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.273 -4.955 -4.501 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -14.582 -4.992 -6.950 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -10.687 -5.433 -8.411 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -13.149 -5.256 -9.027 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.480 -2.722 -3.815 1.00 0.79 N ATOM 1485 CA LEU A 130 -9.047 -2.628 -3.544 1.00 0.70 C ATOM 1486 C LEU A 130 -8.743 -1.512 -2.548 1.00 0.65 C ATOM 1487 O LEU A 130 -7.616 -1.392 -2.073 1.00 0.61 O ATOM 1488 CB LEU A 130 -8.239 -2.423 -4.835 1.00 0.73 C ATOM 1489 CG LEU A 130 -8.069 -3.670 -5.712 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -7.168 -3.372 -6.900 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -7.503 -4.823 -4.899 1.00 1.29 C ATOM 0 H LEU A 130 -10.873 -1.914 -4.297 1.00 0.79 H new ATOM 0 HA LEU A 130 -8.744 -3.577 -3.102 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.724 -1.647 -5.427 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -7.250 -2.050 -4.569 1.00 0.73 H new ATOM 0 HG LEU A 130 -9.051 -3.958 -6.086 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -7.060 -4.269 -7.509 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -7.609 -2.576 -7.501 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -6.188 -3.056 -6.543 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -7.390 -5.698 -5.539 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -6.531 -4.541 -4.495 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.182 -5.058 -4.079 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.748 -0.718 -2.208 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.570 0.342 -1.222 1.00 0.71 C ATOM 1505 C VAL A 131 -9.969 -0.157 0.164 1.00 0.69 C ATOM 1506 O VAL A 131 -10.953 -0.890 0.314 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.372 1.618 -1.577 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -9.963 2.146 -2.945 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -11.870 1.367 -1.534 1.00 1.28 C ATOM 0 H VAL A 131 -10.689 -0.785 -2.596 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.514 0.611 -1.225 1.00 0.71 H new ATOM 0 HB VAL A 131 -10.138 2.372 -0.825 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.538 3.043 -3.176 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -8.900 2.388 -2.939 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -10.157 1.386 -3.701 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -12.400 2.285 -1.789 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -12.129 0.588 -2.251 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -12.157 1.048 -0.532 1.00 1.28 H new ATOM 1519 N PRO A 132 -9.196 0.219 1.190 1.00 0.62 N ATOM 1520 CA PRO A 132 -9.441 -0.221 2.566 1.00 0.65 C ATOM 1521 C PRO A 132 -10.785 0.273 3.100 1.00 0.77 C ATOM 1522 O PRO A 132 -11.223 1.379 2.773 1.00 0.81 O ATOM 1523 CB PRO A 132 -8.284 0.396 3.360 1.00 0.64 C ATOM 1524 CG PRO A 132 -7.785 1.517 2.515 1.00 0.64 C ATOM 1525 CD PRO A 132 -8.023 1.105 1.093 1.00 0.57 C ATOM 0 HA PRO A 132 -9.486 -1.307 2.642 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -8.621 0.755 4.332 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -7.499 -0.337 3.546 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -8.312 2.443 2.746 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -6.726 1.699 2.696 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -8.220 1.965 0.452 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -7.160 0.586 0.674 1.00 0.57 H new ATOM 1533 N PRO A 133 -11.463 -0.554 3.916 1.00 0.88 N ATOM 1534 CA PRO A 133 -12.760 -0.206 4.517 1.00 1.03 C ATOM 1535 C PRO A 133 -12.726 1.117 5.286 1.00 1.04 C ATOM 1536 O PRO A 133 -13.725 1.831 5.352 1.00 1.13 O ATOM 1537 CB PRO A 133 -13.034 -1.369 5.478 1.00 1.17 C ATOM 1538 CG PRO A 133 -12.244 -2.510 4.937 1.00 1.03 C ATOM 1539 CD PRO A 133 -11.022 -1.908 4.305 1.00 0.93 C ATOM 0 HA PRO A 133 -13.527 -0.068 3.755 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -12.726 -1.122 6.494 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -14.097 -1.608 5.516 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -11.970 -3.205 5.731 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -12.824 -3.073 4.206 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -10.186 -1.872 5.003 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -10.691 -2.485 3.442 1.00 0.93 H new ATOM 1547 N SER A 134 -11.575 1.445 5.849 1.00 1.02 N ATOM 1548 CA SER A 134 -11.427 2.659 6.642 1.00 1.09 C ATOM 1549 C SER A 134 -11.360 3.904 5.755 1.00 1.09 C ATOM 1550 O SER A 134 -11.703 5.007 6.180 1.00 1.22 O ATOM 1551 CB SER A 134 -10.157 2.554 7.479 1.00 1.14 C ATOM 1552 OG SER A 134 -9.041 2.276 6.648 1.00 1.60 O ATOM 0 H SER A 134 -10.725 0.886 5.772 1.00 1.02 H new ATOM 0 HA SER A 134 -12.299 2.758 7.288 1.00 1.09 H new ATOM 0 HB2 SER A 134 -9.992 3.485 8.021 1.00 1.14 H new ATOM 0 HB3 SER A 134 -10.269 1.767 8.225 1.00 1.14 H new ATOM 0 HG SER A 134 -8.408 1.704 7.131 1.00 1.60 H new ATOM 1558 N LYS A 135 -10.930 3.718 4.516 1.00 0.99 N ATOM 1559 CA LYS A 135 -10.682 4.832 3.614 1.00 1.02 C ATOM 1560 C LYS A 135 -11.617 4.777 2.407 1.00 1.11 C ATOM 1561 O LYS A 135 -11.331 5.357 1.362 1.00 1.21 O ATOM 1562 CB LYS A 135 -9.215 4.820 3.162 1.00 0.89 C ATOM 1563 CG LYS A 135 -8.234 5.176 4.273 1.00 0.90 C ATOM 1564 CD LYS A 135 -6.795 4.855 3.896 1.00 0.67 C ATOM 1565 CE LYS A 135 -5.848 5.192 5.044 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.476 4.655 4.832 1.00 1.15 N ATOM 0 H LYS A 135 -10.745 2.800 4.111 1.00 0.99 H new ATOM 0 HA LYS A 135 -10.881 5.762 4.147 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -8.970 3.831 2.775 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -9.091 5.524 2.339 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -8.319 6.238 4.503 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -8.500 4.631 5.179 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -6.707 3.798 3.644 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -6.512 5.419 3.007 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -5.796 6.274 5.161 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -6.252 4.790 5.973 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -4.170 4.139 5.682 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -4.478 4.009 4.017 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -3.820 5.441 4.649 1.00 1.15 H new ATOM 1580 N ARG A 136 -12.744 4.089 2.557 1.00 1.14 N ATOM 1581 CA ARG A 136 -13.716 3.993 1.474 1.00 1.24 C ATOM 1582 C ARG A 136 -14.983 4.773 1.803 1.00 1.49 C ATOM 1583 O ARG A 136 -15.455 4.764 2.940 1.00 1.58 O ATOM 1584 CB ARG A 136 -14.070 2.531 1.178 1.00 1.18 C ATOM 1585 CG ARG A 136 -14.740 1.815 2.339 1.00 1.21 C ATOM 1586 CD ARG A 136 -15.243 0.436 1.938 1.00 1.20 C ATOM 1587 NE ARG A 136 -14.167 -0.422 1.438 1.00 1.60 N ATOM 1588 CZ ARG A 136 -14.317 -1.716 1.153 1.00 1.82 C ATOM 1589 NH1 ARG A 136 -15.484 -2.323 1.371 1.00 1.40 N ATOM 1590 NH2 ARG A 136 -13.289 -2.401 0.662 1.00 2.76 N ATOM 0 H ARG A 136 -13.005 3.594 3.410 1.00 1.14 H new ATOM 0 HA ARG A 136 -13.257 4.429 0.587 1.00 1.24 H new ATOM 0 HB2 ARG A 136 -14.730 2.495 0.311 1.00 1.18 H new ATOM 0 HB3 ARG A 136 -13.161 1.994 0.908 1.00 1.18 H new ATOM 0 HG2 ARG A 136 -14.033 1.719 3.163 1.00 1.21 H new ATOM 0 HG3 ARG A 136 -15.574 2.415 2.703 1.00 1.21 H new ATOM 0 HD2 ARG A 136 -15.716 -0.040 2.797 1.00 1.20 H new ATOM 0 HD3 ARG A 136 -16.009 0.540 1.170 1.00 1.20 H new ATOM 0 HE ARG A 136 -13.247 -0.005 1.299 1.00 1.60 H new ATOM 0 HH11 ARG A 136 -16.268 -1.797 1.758 1.00 1.40 H new ATOM 0 HH12 ARG A 136 -15.593 -3.313 1.151 1.00 1.40 H new ATOM 0 HH21 ARG A 136 -12.394 -1.936 0.506 1.00 2.76 H new ATOM 0 HH22 ARG A 136 -13.395 -3.391 0.441 1.00 2.76 H new ATOM 1604 N ARG A 137 -15.519 5.460 0.804 1.00 1.73 N ATOM 1605 CA ARG A 137 -16.798 6.142 0.941 1.00 2.03 C ATOM 1606 C ARG A 137 -17.674 5.863 -0.269 1.00 2.43 C ATOM 1607 O ARG A 137 -17.282 6.140 -1.405 1.00 2.60 O ATOM 1608 CB ARG A 137 -16.614 7.653 1.101 1.00 2.24 C ATOM 1609 CG ARG A 137 -16.092 8.076 2.462 1.00 2.53 C ATOM 1610 CD ARG A 137 -16.260 9.573 2.661 1.00 2.87 C ATOM 1611 NE ARG A 137 -17.658 9.982 2.503 1.00 3.17 N ATOM 1612 CZ ARG A 137 -18.081 11.242 2.559 1.00 3.83 C ATOM 1613 NH1 ARG A 137 -17.226 12.233 2.792 1.00 4.17 N ATOM 1614 NH2 ARG A 137 -19.368 11.508 2.377 1.00 4.54 N ATOM 0 H ARG A 137 -15.086 5.560 -0.114 1.00 1.73 H new ATOM 0 HA ARG A 137 -17.281 5.759 1.840 1.00 2.03 H new ATOM 0 HB2 ARG A 137 -15.925 8.007 0.334 1.00 2.24 H new ATOM 0 HB3 ARG A 137 -17.570 8.145 0.922 1.00 2.24 H new ATOM 0 HG2 ARG A 137 -16.626 7.538 3.245 1.00 2.53 H new ATOM 0 HG3 ARG A 137 -15.039 7.808 2.552 1.00 2.53 H new ATOM 0 HD2 ARG A 137 -15.909 9.851 3.655 1.00 2.87 H new ATOM 0 HD3 ARG A 137 -15.640 10.109 1.942 1.00 2.87 H new ATOM 0 HE ARG A 137 -18.352 9.253 2.339 1.00 3.17 H new ATOM 0 HH11 ARG A 137 -16.236 12.031 2.930 1.00 4.17 H new ATOM 0 HH12 ARG A 137 -17.560 13.196 2.833 1.00 4.17 H new ATOM 0 HH21 ARG A 137 -20.025 10.749 2.196 1.00 4.54 H new ATOM 0 HH22 ARG A 137 -19.700 12.471 2.418 1.00 4.54 H new ATOM 1628 N HIS A 138 -18.840 5.282 -0.035 1.00 2.88 N ATOM 1629 CA HIS A 138 -19.777 5.031 -1.113 1.00 3.44 C ATOM 1630 C HIS A 138 -21.186 5.458 -0.728 1.00 3.98 C ATOM 1631 O HIS A 138 -21.864 4.785 0.051 1.00 4.30 O ATOM 1632 CB HIS A 138 -19.760 3.556 -1.527 1.00 3.84 C ATOM 1633 CG HIS A 138 -20.654 3.257 -2.691 1.00 4.52 C ATOM 1634 ND1 HIS A 138 -20.447 3.784 -3.946 1.00 5.25 N ATOM 1635 CD2 HIS A 138 -21.772 2.503 -2.782 1.00 4.95 C ATOM 1636 CE1 HIS A 138 -21.397 3.368 -4.759 1.00 5.95 C ATOM 1637 NE2 HIS A 138 -22.215 2.589 -4.079 1.00 5.77 N ATOM 0 H HIS A 138 -19.157 4.978 0.886 1.00 2.88 H new ATOM 0 HA HIS A 138 -19.461 5.630 -1.967 1.00 3.44 H new ATOM 0 HB2 HIS A 138 -18.739 3.268 -1.778 1.00 3.84 H new ATOM 0 HB3 HIS A 138 -20.064 2.944 -0.678 1.00 3.84 H new ATOM 0 HD2 HIS A 138 -22.231 1.938 -1.984 1.00 4.95 H new ATOM 0 HE1 HIS A 138 -21.490 3.622 -5.805 1.00 5.95 H new ATOM 0 HE2 HIS A 138 -23.042 2.126 -4.455 1.00 5.77 H new ATOM 1646 N GLU A 139 -21.606 6.580 -1.275 1.00 4.30 N ATOM 1647 CA GLU A 139 -22.946 7.089 -1.069 1.00 4.91 C ATOM 1648 C GLU A 139 -23.416 7.810 -2.323 1.00 5.22 C ATOM 1649 O GLU A 139 -24.593 7.644 -2.699 1.00 5.78 O ATOM 1650 CB GLU A 139 -23.018 8.019 0.151 1.00 5.38 C ATOM 1651 CG GLU A 139 -22.094 9.232 0.093 1.00 5.41 C ATOM 1652 CD GLU A 139 -20.699 8.952 0.622 1.00 5.79 C ATOM 1653 OE1 GLU A 139 -20.497 9.053 1.853 1.00 6.01 O ATOM 1654 OE2 GLU A 139 -19.795 8.653 -0.189 1.00 6.15 O ATOM 1655 OXT GLU A 139 -22.592 8.507 -2.953 1.00 5.23 O ATOM 0 H GLU A 139 -21.027 7.166 -1.876 1.00 4.30 H new ATOM 0 HA GLU A 139 -23.606 6.245 -0.869 1.00 4.91 H new ATOM 0 HB2 GLU A 139 -24.045 8.368 0.263 1.00 5.38 H new ATOM 0 HB3 GLU A 139 -22.779 7.441 1.044 1.00 5.38 H new ATOM 0 HG2 GLU A 139 -22.021 9.575 -0.939 1.00 5.41 H new ATOM 0 HG3 GLU A 139 -22.537 10.045 0.669 1.00 5.41 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 15.212 21.936 -1.822 1.00 10.39 N ATOM 1664 CA PHE B 143 13.932 22.516 -1.371 1.00 9.66 C ATOM 1665 C PHE B 143 13.075 21.439 -0.715 1.00 8.69 C ATOM 1666 O PHE B 143 12.922 20.343 -1.250 1.00 8.65 O ATOM 1667 CB PHE B 143 13.194 23.128 -2.567 1.00 10.03 C ATOM 1668 CG PHE B 143 11.881 23.769 -2.219 1.00 10.55 C ATOM 1669 CD1 PHE B 143 11.836 25.046 -1.683 1.00 10.94 C ATOM 1670 CD2 PHE B 143 10.693 23.090 -2.424 1.00 10.86 C ATOM 1671 CE1 PHE B 143 10.628 25.634 -1.362 1.00 11.60 C ATOM 1672 CE2 PHE B 143 9.482 23.673 -2.105 1.00 11.48 C ATOM 1673 CZ PHE B 143 9.456 24.962 -1.579 1.00 11.86 C ATOM 0 HA PHE B 143 14.129 23.299 -0.638 1.00 9.66 H new ATOM 0 HB2 PHE B 143 13.837 23.874 -3.033 1.00 10.03 H new ATOM 0 HB3 PHE B 143 13.020 22.349 -3.309 1.00 10.03 H new ATOM 0 HD1 PHE B 143 12.755 25.587 -1.514 1.00 10.94 H new ATOM 0 HD2 PHE B 143 10.713 22.093 -2.838 1.00 10.86 H new ATOM 0 HE1 PHE B 143 10.609 26.627 -0.938 1.00 11.60 H new ATOM 0 HE2 PHE B 143 8.561 23.132 -2.263 1.00 11.48 H new ATOM 0 HZ PHE B 143 8.512 25.431 -1.343 1.00 11.86 H new ATOM 1685 N ASN B 144 12.524 21.754 0.447 1.00 8.14 N ATOM 1686 CA ASN B 144 11.709 20.805 1.191 1.00 7.38 C ATOM 1687 C ASN B 144 10.237 21.172 1.065 1.00 6.30 C ATOM 1688 O ASN B 144 9.883 22.352 1.040 1.00 6.24 O ATOM 1689 CB ASN B 144 12.120 20.793 2.665 1.00 7.92 C ATOM 1690 CG ASN B 144 11.345 19.778 3.483 1.00 7.74 C ATOM 1691 OD1 ASN B 144 10.963 18.718 2.984 1.00 7.80 O ATOM 1692 ND2 ASN B 144 11.102 20.098 4.742 1.00 7.83 N ATOM 0 H ASN B 144 12.627 22.664 0.897 1.00 8.14 H new ATOM 0 HA ASN B 144 11.865 19.809 0.776 1.00 7.38 H new ATOM 0 HB2 ASN B 144 13.185 20.575 2.739 1.00 7.92 H new ATOM 0 HB3 ASN B 144 11.968 21.786 3.088 1.00 7.92 H new ATOM 0 HD21 ASN B 144 10.580 19.457 5.340 1.00 7.83 H new ATOM 0 HD22 ASN B 144 11.436 20.986 5.116 1.00 7.83 H new ATOM 1699 N TYR B 145 9.386 20.162 0.974 1.00 5.72 N ATOM 1700 CA TYR B 145 7.953 20.376 0.843 1.00 4.87 C ATOM 1701 C TYR B 145 7.178 19.314 1.629 1.00 4.32 C ATOM 1702 O TYR B 145 6.956 19.454 2.831 1.00 4.64 O ATOM 1703 CB TYR B 145 7.539 20.402 -0.649 1.00 5.10 C ATOM 1704 CG TYR B 145 8.216 19.356 -1.530 1.00 5.03 C ATOM 1705 CD1 TYR B 145 9.471 19.587 -2.087 1.00 5.32 C ATOM 1706 CD2 TYR B 145 7.599 18.141 -1.800 1.00 5.17 C ATOM 1707 CE1 TYR B 145 10.085 18.644 -2.887 1.00 5.78 C ATOM 1708 CE2 TYR B 145 8.209 17.190 -2.596 1.00 5.60 C ATOM 1709 CZ TYR B 145 9.455 17.445 -3.136 1.00 5.92 C ATOM 1710 OH TYR B 145 10.064 16.505 -3.934 1.00 6.71 O ATOM 0 H TYR B 145 9.665 19.181 0.989 1.00 5.72 H new ATOM 0 HA TYR B 145 7.703 21.348 1.268 1.00 4.87 H new ATOM 0 HB2 TYR B 145 6.460 20.263 -0.712 1.00 5.10 H new ATOM 0 HB3 TYR B 145 7.758 21.390 -1.053 1.00 5.10 H new ATOM 0 HD1 TYR B 145 9.974 20.522 -1.889 1.00 5.32 H new ATOM 0 HD2 TYR B 145 6.625 17.936 -1.380 1.00 5.17 H new ATOM 0 HE1 TYR B 145 11.055 18.846 -3.316 1.00 5.78 H new ATOM 0 HE2 TYR B 145 7.714 16.251 -2.795 1.00 5.60 H new ATOM 0 HH TYR B 145 9.488 15.716 -4.008 1.00 6.71 H new ATOM 1720 N GLU B 146 6.779 18.263 0.941 1.00 3.92 N ATOM 1721 CA GLU B 146 6.146 17.104 1.543 1.00 3.68 C ATOM 1722 C GLU B 146 6.867 15.861 1.027 1.00 2.72 C ATOM 1723 O GLU B 146 8.015 15.958 0.597 1.00 2.75 O ATOM 1724 CB GLU B 146 4.653 17.081 1.193 1.00 4.48 C ATOM 1725 CG GLU B 146 3.896 18.285 1.740 1.00 5.23 C ATOM 1726 CD GLU B 146 2.464 18.373 1.255 1.00 5.98 C ATOM 1727 OE1 GLU B 146 2.242 18.918 0.156 1.00 6.61 O ATOM 1728 OE2 GLU B 146 1.552 17.932 1.987 1.00 6.16 O ATOM 0 H GLU B 146 6.887 18.188 -0.070 1.00 3.92 H new ATOM 0 HA GLU B 146 6.218 17.138 2.630 1.00 3.68 H new ATOM 0 HB2 GLU B 146 4.540 17.049 0.109 1.00 4.48 H new ATOM 0 HB3 GLU B 146 4.207 16.168 1.587 1.00 4.48 H new ATOM 0 HG2 GLU B 146 3.900 18.242 2.829 1.00 5.23 H new ATOM 0 HG3 GLU B 146 4.424 19.195 1.455 1.00 5.23 H new ATOM 1735 N SER B 147 6.228 14.707 1.044 1.00 2.52 N ATOM 1736 CA SER B 147 6.915 13.496 0.632 1.00 2.12 C ATOM 1737 C SER B 147 6.219 12.801 -0.534 1.00 1.51 C ATOM 1738 O SER B 147 5.003 12.605 -0.529 1.00 1.82 O ATOM 1739 CB SER B 147 7.057 12.555 1.822 1.00 3.04 C ATOM 1740 OG SER B 147 5.827 12.410 2.513 1.00 3.65 O ATOM 0 H SER B 147 5.257 14.581 1.331 1.00 2.52 H new ATOM 0 HA SER B 147 7.906 13.779 0.276 1.00 2.12 H new ATOM 0 HB2 SER B 147 7.401 11.579 1.478 1.00 3.04 H new ATOM 0 HB3 SER B 147 7.816 12.939 2.503 1.00 3.04 H new ATOM 0 HG SER B 147 5.947 11.800 3.270 1.00 3.65 H new ATOM 1746 N THR B 148 7.008 12.448 -1.541 1.00 0.99 N ATOM 1747 CA THR B 148 6.515 11.697 -2.682 1.00 0.74 C ATOM 1748 C THR B 148 6.664 10.199 -2.442 1.00 0.58 C ATOM 1749 O THR B 148 5.754 9.415 -2.719 1.00 1.05 O ATOM 1750 CB THR B 148 7.289 12.080 -3.952 1.00 1.17 C ATOM 1751 OG1 THR B 148 8.693 12.159 -3.650 1.00 1.57 O ATOM 1752 CG2 THR B 148 6.801 13.408 -4.507 1.00 1.79 C ATOM 0 H THR B 148 8.002 12.674 -1.587 1.00 0.99 H new ATOM 0 HA THR B 148 5.460 11.939 -2.812 1.00 0.74 H new ATOM 0 HB THR B 148 7.119 11.314 -4.709 1.00 1.17 H new ATOM 0 HG1 THR B 148 9.175 11.470 -4.153 1.00 1.57 H new ATOM 0 HG21 THR B 148 7.365 13.656 -5.406 1.00 1.79 H new ATOM 0 HG22 THR B 148 5.742 13.332 -4.753 1.00 1.79 H new ATOM 0 HG23 THR B 148 6.945 14.189 -3.761 1.00 1.79 H new ATOM 1760 N GLY B 149 7.822 9.819 -1.918 1.00 0.48 N ATOM 1761 CA GLY B 149 8.094 8.432 -1.613 1.00 0.35 C ATOM 1762 C GLY B 149 9.574 8.186 -1.418 1.00 0.33 C ATOM 1763 O GLY B 149 10.395 8.958 -1.908 1.00 0.39 O ATOM 0 H GLY B 149 8.586 10.458 -1.697 1.00 0.48 H new ATOM 0 HA2 GLY B 149 7.555 8.144 -0.711 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.723 7.801 -2.421 1.00 0.35 H new ATOM 1767 N PRO B 150 9.948 7.111 -0.707 1.00 0.28 N ATOM 1768 CA PRO B 150 11.349 6.796 -0.426 1.00 0.29 C ATOM 1769 C PRO B 150 12.065 6.173 -1.623 1.00 0.30 C ATOM 1770 O PRO B 150 13.253 5.855 -1.554 1.00 0.33 O ATOM 1771 CB PRO B 150 11.255 5.791 0.721 1.00 0.29 C ATOM 1772 CG PRO B 150 9.952 5.103 0.510 1.00 0.26 C ATOM 1773 CD PRO B 150 9.029 6.126 -0.101 1.00 0.26 C ATOM 0 HA PRO B 150 11.927 7.689 -0.190 1.00 0.29 H new ATOM 0 HB2 PRO B 150 12.085 5.085 0.698 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.288 6.290 1.689 1.00 0.29 H new ATOM 0 HG2 PRO B 150 10.069 4.242 -0.148 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.551 4.731 1.453 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.373 5.678 -0.848 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.388 6.586 0.651 1.00 0.26 H new ATOM 1781 N PHE B 151 11.336 5.971 -2.710 1.00 0.31 N ATOM 1782 CA PHE B 151 11.902 5.354 -3.898 1.00 0.36 C ATOM 1783 C PHE B 151 12.439 6.412 -4.854 1.00 0.51 C ATOM 1784 O PHE B 151 13.624 6.408 -5.184 1.00 0.75 O ATOM 1785 CB PHE B 151 10.857 4.465 -4.579 1.00 0.34 C ATOM 1786 CG PHE B 151 10.363 3.376 -3.675 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.246 2.442 -3.155 1.00 0.32 C ATOM 1788 CD2 PHE B 151 9.027 3.300 -3.316 1.00 0.34 C ATOM 1789 CE1 PHE B 151 10.804 1.451 -2.303 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.582 2.309 -2.460 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.471 1.387 -1.954 1.00 0.41 C ATOM 0 H PHE B 151 10.352 6.225 -2.793 1.00 0.31 H new ATOM 0 HA PHE B 151 12.741 4.725 -3.601 1.00 0.36 H new ATOM 0 HB2 PHE B 151 10.015 5.078 -4.900 1.00 0.34 H new ATOM 0 HB3 PHE B 151 11.289 4.022 -5.476 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.292 2.491 -3.420 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.326 4.022 -3.709 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.501 0.726 -1.910 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.538 2.258 -2.189 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.125 0.614 -1.284 1.00 0.41 H new ATOM 1801 N THR B 152 11.585 7.334 -5.265 1.00 0.66 N ATOM 1802 CA THR B 152 12.009 8.401 -6.154 1.00 0.91 C ATOM 1803 C THR B 152 11.806 9.772 -5.507 1.00 1.58 C ATOM 1804 O THR B 152 10.764 10.050 -4.906 1.00 2.22 O ATOM 1805 CB THR B 152 11.283 8.339 -7.517 1.00 1.40 C ATOM 1806 OG1 THR B 152 11.776 9.371 -8.379 1.00 2.16 O ATOM 1807 CG2 THR B 152 9.775 8.485 -7.362 1.00 1.64 C ATOM 0 H THR B 152 10.601 7.365 -4.999 1.00 0.66 H new ATOM 0 HA THR B 152 13.074 8.256 -6.337 1.00 0.91 H new ATOM 0 HB THR B 152 11.484 7.361 -7.953 1.00 1.40 H new ATOM 0 HG1 THR B 152 11.313 9.325 -9.242 1.00 2.16 H new ATOM 0 HG21 THR B 152 9.302 8.436 -8.343 1.00 1.64 H new ATOM 0 HG22 THR B 152 9.394 7.679 -6.735 1.00 1.64 H new ATOM 0 HG23 THR B 152 9.548 9.445 -6.897 1.00 1.64 H new ATOM 1815 N ALA B 153 12.829 10.610 -5.614 1.00 2.23 N ATOM 1816 CA ALA B 153 12.802 11.955 -5.052 1.00 3.13 C ATOM 1817 C ALA B 153 13.817 12.842 -5.762 1.00 3.79 C ATOM 1818 O ALA B 153 14.094 13.960 -5.333 1.00 4.40 O ATOM 1819 CB ALA B 153 13.107 11.905 -3.561 1.00 3.77 C ATOM 0 H ALA B 153 13.700 10.377 -6.092 1.00 2.23 H new ATOM 0 HA ALA B 153 11.806 12.375 -5.196 1.00 3.13 H new ATOM 0 HB1 ALA B 153 13.084 12.915 -3.151 1.00 3.77 H new ATOM 0 HB2 ALA B 153 12.360 11.292 -3.057 1.00 3.77 H new ATOM 0 HB3 ALA B 153 14.096 11.473 -3.406 1.00 3.77 H new ATOM 1825 N LYS B 154 14.360 12.335 -6.861 1.00 4.06 N ATOM 1826 CA LYS B 154 15.426 13.027 -7.573 1.00 4.97 C ATOM 1827 C LYS B 154 14.957 13.438 -8.962 1.00 5.83 C ATOM 1828 O LYS B 154 15.054 12.610 -9.891 1.00 6.43 O ATOM 1829 CB LYS B 154 16.659 12.125 -7.686 1.00 5.53 C ATOM 1830 CG LYS B 154 17.950 12.769 -7.201 1.00 5.50 C ATOM 1831 CD LYS B 154 17.958 12.936 -5.690 1.00 5.47 C ATOM 1832 CE LYS B 154 19.259 13.559 -5.206 1.00 6.09 C ATOM 1833 NZ LYS B 154 19.400 13.463 -3.732 1.00 6.75 N ATOM 1834 OXT LYS B 154 14.479 14.581 -9.117 1.00 6.18 O ATOM 0 H LYS B 154 14.080 11.448 -7.279 1.00 4.06 H new ATOM 0 HA LYS B 154 15.691 13.923 -7.012 1.00 4.97 H new ATOM 0 HB2 LYS B 154 16.483 11.215 -7.113 1.00 5.53 H new ATOM 0 HB3 LYS B 154 16.783 11.827 -8.727 1.00 5.53 H new ATOM 0 HG2 LYS B 154 18.799 12.157 -7.505 1.00 5.50 H new ATOM 0 HG3 LYS B 154 18.073 13.742 -7.676 1.00 5.50 H new ATOM 0 HD2 LYS B 154 17.119 13.562 -5.387 1.00 5.47 H new ATOM 0 HD3 LYS B 154 17.819 11.965 -5.215 1.00 5.47 H new ATOM 0 HE2 LYS B 154 20.101 13.060 -5.685 1.00 6.09 H new ATOM 0 HE3 LYS B 154 19.295 14.606 -5.507 1.00 6.09 H new ATOM 0 HZ1 LYS B 154 20.298 13.898 -3.440 1.00 6.75 H new ATOM 0 HZ2 LYS B 154 18.610 13.961 -3.275 1.00 6.75 H new ATOM 0 HZ3 LYS B 154 19.391 12.463 -3.447 1.00 6.75 H new TER 1848 LYS B 154 HETATM 1849 CA CA A 141 0.074 6.151 4.104 1.00 0.29 CA