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: B 147 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 152 THR OG1 : rot -33:sc= 0.262 USER MOD Set 2.1: A 134 SER OG : rot -130:sc= 1.27 USER MOD Set 2.2: A 135 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.21) USER MOD Set 3.1: A 53 TYR OH : rot -173:sc= 1.1 USER MOD Set 3.2: A 111 HIS : no HD1:sc= 0.308 K(o=1.4,f=-1.1) USER MOD Set 4.1: A 68 THR OG1 : rot -49:sc= 1.11 USER MOD Set 4.2: A 71 ASN : amide:sc= 0.815 K(o=1.9,f=-2.4) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 138:sc= 1.16 (180deg=0.23) USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 2.15 (180deg=2.13) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -6:sc= 1.16 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00824 K(o=-0.0082,f=-0.96) USER MOD Single : A 66 LYS NZ :NH3+ -156:sc= 1.16 (180deg=0.596) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc= 1.91 (180deg=1.61) USER MOD Single : A 74 LYS NZ :NH3+ 164:sc= -0.0253 (180deg=-0.223) USER MOD Single : A 76 MET CE :methyl -179:sc= 0 (180deg=-0.000347) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -46:sc= 1.21 USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0.872) USER MOD Single : A 83 ASN : amide:sc= -0.108 K(o=-0.11,f=-3.9!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN :FLIP amide:sc= 1.21 F(o=-1.2,f=1.2) USER MOD Single : A 114 LYS NZ :NH3+ -170:sc= 1.18 (180deg=0.629) USER MOD Single : A 116 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.01) USER MOD Single : A 120 HIS :FLIP no HD1:sc=-0.00618 F(o=-1.3,f=-0.0062) USER MOD Single : A 129 HIS : no HD1:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : B 144 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0029) USER MOD Single : B 145 TYR OH : rot 180:sc= 0 USER MOD Single : B 148 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 -25.228 10.668 5.372 1.00 10.97 N ATOM 2 CA GLY A 35 -26.244 9.654 5.004 1.00 10.19 C ATOM 3 C GLY A 35 -25.621 8.388 4.448 1.00 9.10 C ATOM 4 O GLY A 35 -24.427 8.358 4.146 1.00 8.96 O ATOM 0 HA2 GLY A 35 -26.841 9.407 5.882 1.00 10.19 H new ATOM 0 HA3 GLY A 35 -26.924 10.076 4.264 1.00 10.19 H new ATOM 10 N PRO A 36 -26.413 7.314 4.307 1.00 8.54 N ATOM 11 CA PRO A 36 -25.939 6.049 3.752 1.00 7.65 C ATOM 12 C PRO A 36 -25.984 6.039 2.224 1.00 6.89 C ATOM 13 O PRO A 36 -26.786 5.329 1.619 1.00 7.16 O ATOM 14 CB PRO A 36 -26.929 5.043 4.331 1.00 7.68 C ATOM 15 CG PRO A 36 -28.211 5.803 4.429 1.00 8.48 C ATOM 16 CD PRO A 36 -27.838 7.245 4.683 1.00 9.00 C ATOM 0 HA PRO A 36 -24.898 5.841 4.001 1.00 7.65 H new ATOM 0 HB2 PRO A 36 -27.032 4.170 3.686 1.00 7.68 H new ATOM 0 HB3 PRO A 36 -26.605 4.682 5.307 1.00 7.68 H new ATOM 0 HG2 PRO A 36 -28.789 5.708 3.510 1.00 8.48 H new ATOM 0 HG3 PRO A 36 -28.831 5.415 5.237 1.00 8.48 H new ATOM 0 HD2 PRO A 36 -28.443 7.926 4.084 1.00 9.00 H new ATOM 0 HD3 PRO A 36 -27.990 7.519 5.727 1.00 9.00 H new ATOM 24 N LEU A 37 -25.121 6.841 1.608 1.00 6.26 N ATOM 25 CA LEU A 37 -25.090 6.968 0.149 1.00 5.84 C ATOM 26 C LEU A 37 -24.617 5.677 -0.520 1.00 5.04 C ATOM 27 O LEU A 37 -24.946 5.410 -1.676 1.00 5.27 O ATOM 28 CB LEU A 37 -24.185 8.132 -0.284 1.00 6.34 C ATOM 29 CG LEU A 37 -22.674 7.925 -0.094 1.00 6.76 C ATOM 30 CD1 LEU A 37 -21.898 9.038 -0.782 1.00 7.27 C ATOM 31 CD2 LEU A 37 -22.304 7.864 1.382 1.00 7.42 C ATOM 0 H LEU A 37 -24.432 7.415 2.094 1.00 6.26 H new ATOM 0 HA LEU A 37 -26.111 7.170 -0.173 1.00 5.84 H new ATOM 0 HB2 LEU A 37 -24.373 8.338 -1.338 1.00 6.34 H new ATOM 0 HB3 LEU A 37 -24.481 9.021 0.272 1.00 6.34 H new ATOM 0 HG LEU A 37 -22.408 6.971 -0.548 1.00 6.76 H new ATOM 0 HD11 LEU A 37 -20.829 8.878 -0.639 1.00 7.27 H new ATOM 0 HD12 LEU A 37 -22.126 9.035 -1.848 1.00 7.27 H new ATOM 0 HD13 LEU A 37 -22.182 9.999 -0.353 1.00 7.27 H new ATOM 0 HD21 LEU A 37 -21.229 7.717 1.482 1.00 7.42 H new ATOM 0 HD22 LEU A 37 -22.589 8.797 1.867 1.00 7.42 H new ATOM 0 HD23 LEU A 37 -22.829 7.034 1.855 1.00 7.42 H new ATOM 43 N GLY A 38 -23.849 4.882 0.217 1.00 4.46 N ATOM 44 CA GLY A 38 -23.306 3.655 -0.332 1.00 3.99 C ATOM 45 C GLY A 38 -24.330 2.540 -0.371 1.00 3.17 C ATOM 46 O GLY A 38 -24.500 1.890 -1.405 1.00 3.12 O ATOM 0 H GLY A 38 -23.593 5.067 1.187 1.00 4.46 H new ATOM 0 HA2 GLY A 38 -22.938 3.843 -1.341 1.00 3.99 H new ATOM 0 HA3 GLY A 38 -22.451 3.339 0.266 1.00 3.99 H new ATOM 50 N SER A 39 -25.022 2.342 0.757 1.00 3.10 N ATOM 51 CA SER A 39 -26.000 1.267 0.912 1.00 2.87 C ATOM 52 C SER A 39 -25.308 -0.101 0.877 1.00 2.54 C ATOM 53 O SER A 39 -25.104 -0.728 1.918 1.00 2.63 O ATOM 54 CB SER A 39 -27.087 1.347 -0.168 1.00 3.26 C ATOM 55 OG SER A 39 -27.670 2.642 -0.217 1.00 3.97 O ATOM 0 H SER A 39 -24.917 2.925 1.587 1.00 3.10 H new ATOM 0 HA SER A 39 -26.480 1.389 1.883 1.00 2.87 H new ATOM 0 HB2 SER A 39 -26.657 1.102 -1.139 1.00 3.26 H new ATOM 0 HB3 SER A 39 -27.860 0.605 0.035 1.00 3.26 H new ATOM 0 HG SER A 39 -28.358 2.665 -0.915 1.00 3.97 H new ATOM 61 N ASP A 40 -24.915 -0.531 -0.316 1.00 2.38 N ATOM 62 CA ASP A 40 -24.256 -1.816 -0.491 1.00 2.24 C ATOM 63 C ASP A 40 -22.746 -1.619 -0.421 1.00 1.92 C ATOM 64 O ASP A 40 -22.207 -0.688 -1.023 1.00 1.94 O ATOM 65 CB ASP A 40 -24.651 -2.446 -1.828 1.00 2.59 C ATOM 66 CG ASP A 40 -24.364 -3.932 -1.870 1.00 2.94 C ATOM 67 OD1 ASP A 40 -25.179 -4.712 -1.331 1.00 3.15 O ATOM 68 OD2 ASP A 40 -23.328 -4.331 -2.443 1.00 3.46 O ATOM 0 H ASP A 40 -25.043 -0.004 -1.180 1.00 2.38 H new ATOM 0 HA ASP A 40 -24.570 -2.491 0.305 1.00 2.24 H new ATOM 0 HB2 ASP A 40 -25.713 -2.278 -2.007 1.00 2.59 H new ATOM 0 HB3 ASP A 40 -24.110 -1.951 -2.634 1.00 2.59 H new ATOM 73 N ASP A 41 -22.063 -2.476 0.321 1.00 1.79 N ATOM 74 CA ASP A 41 -20.644 -2.272 0.600 1.00 1.55 C ATOM 75 C ASP A 41 -19.790 -3.365 -0.034 1.00 1.46 C ATOM 76 O ASP A 41 -20.153 -4.543 -0.004 1.00 1.73 O ATOM 77 CB ASP A 41 -20.417 -2.238 2.112 1.00 1.57 C ATOM 78 CG ASP A 41 -19.249 -1.363 2.502 1.00 1.41 C ATOM 79 OD1 ASP A 41 -19.413 -0.128 2.501 1.00 1.93 O ATOM 80 OD2 ASP A 41 -18.173 -1.897 2.839 1.00 1.44 O ATOM 0 H ASP A 41 -22.462 -3.316 0.740 1.00 1.79 H new ATOM 0 HA ASP A 41 -20.343 -1.319 0.164 1.00 1.55 H new ATOM 0 HB2 ASP A 41 -21.319 -1.874 2.604 1.00 1.57 H new ATOM 0 HB3 ASP A 41 -20.244 -3.252 2.473 1.00 1.57 H new ATOM 85 N VAL A 42 -18.657 -2.968 -0.602 1.00 1.22 N ATOM 86 CA VAL A 42 -17.754 -3.901 -1.268 1.00 1.13 C ATOM 87 C VAL A 42 -16.589 -4.280 -0.346 1.00 1.01 C ATOM 88 O VAL A 42 -16.120 -3.459 0.446 1.00 0.98 O ATOM 89 CB VAL A 42 -17.213 -3.298 -2.594 1.00 1.13 C ATOM 90 CG1 VAL A 42 -16.384 -2.042 -2.343 1.00 1.85 C ATOM 91 CG2 VAL A 42 -16.411 -4.330 -3.375 1.00 1.59 C ATOM 0 H VAL A 42 -18.340 -1.999 -0.615 1.00 1.22 H new ATOM 0 HA VAL A 42 -18.319 -4.803 -1.504 1.00 1.13 H new ATOM 0 HB VAL A 42 -18.074 -3.009 -3.196 1.00 1.13 H new ATOM 0 HG11 VAL A 42 -16.023 -1.649 -3.293 1.00 1.85 H new ATOM 0 HG12 VAL A 42 -17.002 -1.291 -1.851 1.00 1.85 H new ATOM 0 HG13 VAL A 42 -15.535 -2.288 -1.706 1.00 1.85 H new ATOM 0 HG21 VAL A 42 -16.044 -3.882 -4.299 1.00 1.59 H new ATOM 0 HG22 VAL A 42 -15.566 -4.666 -2.773 1.00 1.59 H new ATOM 0 HG23 VAL A 42 -17.048 -5.182 -3.613 1.00 1.59 H new ATOM 101 N GLU A 43 -16.146 -5.530 -0.436 1.00 1.02 N ATOM 102 CA GLU A 43 -15.041 -6.014 0.382 1.00 0.97 C ATOM 103 C GLU A 43 -13.715 -5.457 -0.116 1.00 0.80 C ATOM 104 O GLU A 43 -13.506 -5.301 -1.325 1.00 0.79 O ATOM 105 CB GLU A 43 -14.968 -7.545 0.351 1.00 1.17 C ATOM 106 CG GLU A 43 -13.838 -8.109 1.202 1.00 1.78 C ATOM 107 CD GLU A 43 -13.378 -9.487 0.763 1.00 2.27 C ATOM 108 OE1 GLU A 43 -14.017 -10.487 1.162 1.00 2.15 O ATOM 109 OE2 GLU A 43 -12.395 -9.577 0.005 1.00 3.10 O ATOM 0 H GLU A 43 -16.537 -6.227 -1.069 1.00 1.02 H new ATOM 0 HA GLU A 43 -15.221 -5.676 1.403 1.00 0.97 H new ATOM 0 HB2 GLU A 43 -15.916 -7.955 0.700 1.00 1.17 H new ATOM 0 HB3 GLU A 43 -14.838 -7.875 -0.680 1.00 1.17 H new ATOM 0 HG2 GLU A 43 -12.991 -7.424 1.167 1.00 1.78 H new ATOM 0 HG3 GLU A 43 -14.166 -8.158 2.240 1.00 1.78 H new ATOM 116 N TRP A 44 -12.828 -5.151 0.818 1.00 0.71 N ATOM 117 CA TRP A 44 -11.454 -4.843 0.480 1.00 0.60 C ATOM 118 C TRP A 44 -10.710 -6.163 0.341 1.00 0.60 C ATOM 119 O TRP A 44 -10.369 -6.795 1.339 1.00 0.64 O ATOM 120 CB TRP A 44 -10.808 -3.973 1.564 1.00 0.57 C ATOM 121 CG TRP A 44 -9.557 -3.282 1.109 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.407 -2.537 -0.024 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.290 -3.242 1.785 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.128 -2.049 -0.103 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.426 -2.463 0.994 1.00 0.41 C ATOM 126 CE3 TRP A 44 -7.801 -3.788 2.978 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.107 -2.217 1.351 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -6.484 -3.538 3.332 1.00 0.49 C ATOM 129 CH2 TRP A 44 -5.654 -2.753 2.519 1.00 0.44 C ATOM 0 H TRP A 44 -13.039 -5.110 1.815 1.00 0.71 H new ATOM 0 HA TRP A 44 -11.412 -4.280 -0.453 1.00 0.60 H new ATOM 0 HB2 TRP A 44 -11.528 -3.224 1.895 1.00 0.57 H new ATOM 0 HB3 TRP A 44 -10.576 -4.596 2.428 1.00 0.57 H new ATOM 0 HD1 TRP A 44 -10.183 -2.358 -0.753 1.00 0.50 H new ATOM 0 HE1 TRP A 44 -7.760 -1.471 -0.858 1.00 0.46 H new ATOM 0 HE3 TRP A 44 -8.436 -4.391 3.609 1.00 0.48 H new ATOM 0 HZ2 TRP A 44 -5.461 -1.620 0.724 1.00 0.41 H new ATOM 0 HZ3 TRP A 44 -6.091 -3.954 4.248 1.00 0.49 H new ATOM 0 HH2 TRP A 44 -4.635 -2.569 2.825 1.00 0.44 H new ATOM 140 N VAL A 45 -10.483 -6.582 -0.902 1.00 0.61 N ATOM 141 CA VAL A 45 -9.972 -7.928 -1.197 1.00 0.64 C ATOM 142 C VAL A 45 -8.591 -8.189 -0.593 1.00 0.57 C ATOM 143 O VAL A 45 -8.104 -9.316 -0.606 1.00 0.69 O ATOM 144 CB VAL A 45 -9.913 -8.191 -2.715 1.00 0.72 C ATOM 145 CG1 VAL A 45 -11.303 -8.125 -3.320 1.00 1.45 C ATOM 146 CG2 VAL A 45 -8.991 -7.200 -3.406 1.00 1.28 C ATOM 0 H VAL A 45 -10.645 -6.008 -1.729 1.00 0.61 H new ATOM 0 HA VAL A 45 -10.680 -8.614 -0.733 1.00 0.64 H new ATOM 0 HB VAL A 45 -9.511 -9.193 -2.867 1.00 0.72 H new ATOM 0 HG11 VAL A 45 -11.243 -8.313 -4.392 1.00 1.45 H new ATOM 0 HG12 VAL A 45 -11.938 -8.879 -2.855 1.00 1.45 H new ATOM 0 HG13 VAL A 45 -11.728 -7.136 -3.148 1.00 1.45 H new ATOM 0 HG21 VAL A 45 -8.968 -7.409 -4.476 1.00 1.28 H new ATOM 0 HG22 VAL A 45 -9.357 -6.187 -3.242 1.00 1.28 H new ATOM 0 HG23 VAL A 45 -7.985 -7.293 -2.997 1.00 1.28 H new ATOM 156 N VAL A 46 -7.966 -7.147 -0.076 1.00 0.46 N ATOM 157 CA VAL A 46 -6.672 -7.275 0.568 1.00 0.42 C ATOM 158 C VAL A 46 -6.850 -7.642 2.043 1.00 0.38 C ATOM 159 O VAL A 46 -5.946 -8.179 2.680 1.00 0.41 O ATOM 160 CB VAL A 46 -5.870 -5.962 0.457 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.455 -6.148 0.966 1.00 0.54 C ATOM 162 CG2 VAL A 46 -5.863 -5.450 -0.975 1.00 1.10 C ATOM 0 H VAL A 46 -8.337 -6.197 -0.090 1.00 0.46 H new ATOM 0 HA VAL A 46 -6.120 -8.066 0.061 1.00 0.42 H new ATOM 0 HB VAL A 46 -6.360 -5.216 1.082 1.00 0.46 H new ATOM 0 HG11 VAL A 46 -3.910 -5.208 0.877 1.00 0.54 H new ATOM 0 HG12 VAL A 46 -4.482 -6.455 2.012 1.00 0.54 H new ATOM 0 HG13 VAL A 46 -3.954 -6.915 0.376 1.00 0.54 H new ATOM 0 HG21 VAL A 46 -5.291 -4.523 -1.027 1.00 1.10 H new ATOM 0 HG22 VAL A 46 -5.406 -6.196 -1.626 1.00 1.10 H new ATOM 0 HG23 VAL A 46 -6.887 -5.264 -1.300 1.00 1.10 H new ATOM 172 N GLY A 47 -8.042 -7.373 2.564 1.00 0.40 N ATOM 173 CA GLY A 47 -8.310 -7.574 3.974 1.00 0.47 C ATOM 174 C GLY A 47 -8.437 -9.034 4.356 1.00 0.49 C ATOM 175 O GLY A 47 -8.181 -9.399 5.505 1.00 0.59 O ATOM 0 H GLY A 47 -8.833 -7.016 2.028 1.00 0.40 H new ATOM 0 HA2 GLY A 47 -7.508 -7.121 4.558 1.00 0.47 H new ATOM 0 HA3 GLY A 47 -9.231 -7.054 4.240 1.00 0.47 H new ATOM 179 N LYS A 48 -8.818 -9.875 3.405 1.00 0.49 N ATOM 180 CA LYS A 48 -8.991 -11.293 3.689 1.00 0.61 C ATOM 181 C LYS A 48 -7.642 -11.990 3.842 1.00 0.60 C ATOM 182 O LYS A 48 -7.530 -13.011 4.521 1.00 0.73 O ATOM 183 CB LYS A 48 -9.815 -11.985 2.598 1.00 0.72 C ATOM 184 CG LYS A 48 -9.193 -11.928 1.207 1.00 0.74 C ATOM 185 CD LYS A 48 -9.685 -13.072 0.329 1.00 0.96 C ATOM 186 CE LYS A 48 -11.179 -12.986 0.048 1.00 1.82 C ATOM 187 NZ LYS A 48 -11.515 -11.873 -0.880 1.00 2.46 N ATOM 0 H LYS A 48 -9.011 -9.605 2.441 1.00 0.49 H new ATOM 0 HA LYS A 48 -9.534 -11.369 4.631 1.00 0.61 H new ATOM 0 HB2 LYS A 48 -9.959 -13.029 2.876 1.00 0.72 H new ATOM 0 HB3 LYS A 48 -10.803 -11.526 2.560 1.00 0.72 H new ATOM 0 HG2 LYS A 48 -9.437 -10.976 0.737 1.00 0.74 H new ATOM 0 HG3 LYS A 48 -8.107 -11.973 1.291 1.00 0.74 H new ATOM 0 HD2 LYS A 48 -9.139 -13.063 -0.615 1.00 0.96 H new ATOM 0 HD3 LYS A 48 -9.464 -14.022 0.816 1.00 0.96 H new ATOM 0 HE2 LYS A 48 -11.521 -13.929 -0.380 1.00 1.82 H new ATOM 0 HE3 LYS A 48 -11.716 -12.848 0.987 1.00 1.82 H new ATOM 0 HZ1 LYS A 48 -12.226 -12.196 -1.567 1.00 2.46 H new ATOM 0 HZ2 LYS A 48 -11.897 -11.072 -0.338 1.00 2.46 H new ATOM 0 HZ3 LYS A 48 -10.657 -11.571 -1.385 1.00 2.46 H new ATOM 201 N ASP A 49 -6.614 -11.428 3.220 1.00 0.48 N ATOM 202 CA ASP A 49 -5.279 -11.999 3.308 1.00 0.50 C ATOM 203 C ASP A 49 -4.413 -11.154 4.227 1.00 0.44 C ATOM 204 O ASP A 49 -3.199 -11.056 4.045 1.00 0.45 O ATOM 205 CB ASP A 49 -4.622 -12.065 1.924 1.00 0.60 C ATOM 206 CG ASP A 49 -5.480 -12.758 0.880 1.00 1.16 C ATOM 207 OD1 ASP A 49 -5.688 -13.986 0.980 1.00 1.52 O ATOM 208 OD2 ASP A 49 -5.946 -12.073 -0.055 1.00 1.66 O ATOM 0 H ASP A 49 -6.679 -10.583 2.653 1.00 0.48 H new ATOM 0 HA ASP A 49 -5.369 -13.009 3.708 1.00 0.50 H new ATOM 0 HB2 ASP A 49 -4.400 -11.052 1.587 1.00 0.60 H new ATOM 0 HB3 ASP A 49 -3.670 -12.589 2.007 1.00 0.60 H new ATOM 213 N LYS A 50 -5.035 -10.584 5.249 1.00 0.43 N ATOM 214 CA LYS A 50 -4.306 -9.784 6.225 1.00 0.49 C ATOM 215 C LYS A 50 -3.391 -10.631 7.118 1.00 0.45 C ATOM 216 O LYS A 50 -2.272 -10.215 7.365 1.00 0.45 O ATOM 217 CB LYS A 50 -5.241 -8.942 7.097 1.00 0.70 C ATOM 218 CG LYS A 50 -5.572 -7.581 6.500 1.00 0.72 C ATOM 219 CD LYS A 50 -6.033 -6.600 7.571 1.00 0.90 C ATOM 220 CE LYS A 50 -6.205 -5.194 7.017 1.00 1.01 C ATOM 221 NZ LYS A 50 -6.287 -4.185 8.107 1.00 1.15 N ATOM 0 H LYS A 50 -6.037 -10.659 5.424 1.00 0.43 H new ATOM 0 HA LYS A 50 -3.680 -9.113 5.638 1.00 0.49 H new ATOM 0 HB2 LYS A 50 -6.167 -9.493 7.259 1.00 0.70 H new ATOM 0 HB3 LYS A 50 -4.781 -8.798 8.075 1.00 0.70 H new ATOM 0 HG2 LYS A 50 -4.694 -7.182 5.993 1.00 0.72 H new ATOM 0 HG3 LYS A 50 -6.352 -7.693 5.747 1.00 0.72 H new ATOM 0 HD2 LYS A 50 -6.978 -6.942 7.994 1.00 0.90 H new ATOM 0 HD3 LYS A 50 -5.308 -6.583 8.384 1.00 0.90 H new ATOM 0 HE2 LYS A 50 -5.368 -4.955 6.361 1.00 1.01 H new ATOM 0 HE3 LYS A 50 -7.109 -5.149 6.409 1.00 1.01 H new ATOM 0 HZ1 LYS A 50 -6.455 -3.244 7.697 1.00 1.15 H new ATOM 0 HZ2 LYS A 50 -7.070 -4.428 8.747 1.00 1.15 H new ATOM 0 HZ3 LYS A 50 -5.394 -4.176 8.640 1.00 1.15 H new ATOM 235 N PRO A 51 -3.841 -11.814 7.630 1.00 0.49 N ATOM 236 CA PRO A 51 -3.021 -12.668 8.507 1.00 0.58 C ATOM 237 C PRO A 51 -1.551 -12.749 8.094 1.00 0.46 C ATOM 238 O PRO A 51 -0.659 -12.542 8.915 1.00 0.47 O ATOM 239 CB PRO A 51 -3.684 -14.032 8.369 1.00 0.69 C ATOM 240 CG PRO A 51 -5.125 -13.722 8.163 1.00 0.75 C ATOM 241 CD PRO A 51 -5.184 -12.404 7.430 1.00 0.55 C ATOM 0 HA PRO A 51 -2.989 -12.276 9.523 1.00 0.58 H new ATOM 0 HB2 PRO A 51 -3.273 -14.591 7.528 1.00 0.69 H new ATOM 0 HB3 PRO A 51 -3.532 -14.640 9.261 1.00 0.69 H new ATOM 0 HG2 PRO A 51 -5.611 -14.508 7.586 1.00 0.75 H new ATOM 0 HG3 PRO A 51 -5.647 -13.658 9.117 1.00 0.75 H new ATOM 0 HD2 PRO A 51 -5.402 -12.547 6.372 1.00 0.55 H new ATOM 0 HD3 PRO A 51 -5.966 -11.760 7.832 1.00 0.55 H new ATOM 249 N THR A 52 -1.304 -13.007 6.816 1.00 0.38 N ATOM 250 CA THR A 52 0.056 -13.158 6.317 1.00 0.36 C ATOM 251 C THR A 52 0.802 -11.820 6.332 1.00 0.26 C ATOM 252 O THR A 52 1.950 -11.733 6.789 1.00 0.28 O ATOM 253 CB THR A 52 0.042 -13.720 4.885 1.00 0.42 C ATOM 254 OG1 THR A 52 -0.816 -14.866 4.831 1.00 0.68 O ATOM 255 CG2 THR A 52 1.444 -14.108 4.436 1.00 0.66 C ATOM 0 H THR A 52 -2.028 -13.116 6.106 1.00 0.38 H new ATOM 0 HA THR A 52 0.575 -13.854 6.976 1.00 0.36 H new ATOM 0 HB THR A 52 -0.330 -12.946 4.213 1.00 0.42 H new ATOM 0 HG1 THR A 52 -0.827 -15.224 3.919 1.00 0.68 H new ATOM 0 HG21 THR A 52 1.405 -14.502 3.421 1.00 0.66 H new ATOM 0 HG22 THR A 52 2.090 -13.230 4.460 1.00 0.66 H new ATOM 0 HG23 THR A 52 1.843 -14.870 5.106 1.00 0.66 H new ATOM 263 N TYR A 53 0.125 -10.773 5.870 1.00 0.22 N ATOM 264 CA TYR A 53 0.736 -9.452 5.796 1.00 0.23 C ATOM 265 C TYR A 53 0.928 -8.893 7.196 1.00 0.23 C ATOM 266 O TYR A 53 1.772 -8.034 7.415 1.00 0.24 O ATOM 267 CB TYR A 53 -0.125 -8.482 4.972 1.00 0.33 C ATOM 268 CG TYR A 53 -0.511 -8.989 3.596 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.260 -9.929 2.926 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.654 -8.514 2.967 1.00 0.53 C ATOM 271 CE1 TYR A 53 -0.100 -10.382 1.671 1.00 0.49 C ATOM 272 CE2 TYR A 53 -2.020 -8.960 1.716 1.00 0.62 C ATOM 273 CZ TYR A 53 -1.242 -9.893 1.071 1.00 0.57 C ATOM 274 OH TYR A 53 -1.611 -10.345 -0.175 1.00 0.69 O ATOM 0 H TYR A 53 -0.840 -10.814 5.543 1.00 0.22 H new ATOM 0 HA TYR A 53 1.702 -9.557 5.303 1.00 0.23 H new ATOM 0 HB2 TYR A 53 -1.034 -8.260 5.531 1.00 0.33 H new ATOM 0 HB3 TYR A 53 0.417 -7.543 4.859 1.00 0.33 H new ATOM 0 HD1 TYR A 53 1.155 -10.312 3.393 1.00 0.41 H new ATOM 0 HD2 TYR A 53 -2.268 -7.781 3.468 1.00 0.53 H new ATOM 0 HE1 TYR A 53 0.509 -11.115 1.163 1.00 0.49 H new ATOM 0 HE2 TYR A 53 -2.914 -8.579 1.244 1.00 0.62 H new ATOM 0 HH TYR A 53 -2.377 -9.825 -0.498 1.00 0.69 H new ATOM 284 N ASP A 54 0.161 -9.419 8.141 1.00 0.28 N ATOM 285 CA ASP A 54 0.256 -9.026 9.542 1.00 0.35 C ATOM 286 C ASP A 54 1.501 -9.635 10.162 1.00 0.33 C ATOM 287 O ASP A 54 2.265 -8.960 10.853 1.00 0.35 O ATOM 288 CB ASP A 54 -0.995 -9.493 10.293 1.00 0.51 C ATOM 289 CG ASP A 54 -0.988 -9.133 11.765 1.00 1.35 C ATOM 290 OD1 ASP A 54 -0.285 -9.810 12.539 1.00 2.18 O ATOM 291 OD2 ASP A 54 -1.660 -8.154 12.149 1.00 1.83 O ATOM 0 H ASP A 54 -0.546 -10.131 7.959 1.00 0.28 H new ATOM 0 HA ASP A 54 0.325 -7.940 9.611 1.00 0.35 H new ATOM 0 HB2 ASP A 54 -1.875 -9.053 9.824 1.00 0.51 H new ATOM 0 HB3 ASP A 54 -1.087 -10.574 10.192 1.00 0.51 H new ATOM 296 N GLU A 55 1.717 -10.913 9.871 1.00 0.35 N ATOM 297 CA GLU A 55 2.884 -11.627 10.363 1.00 0.43 C ATOM 298 C GLU A 55 4.161 -10.970 9.857 1.00 0.38 C ATOM 299 O GLU A 55 5.194 -11.007 10.518 1.00 0.46 O ATOM 300 CB GLU A 55 2.830 -13.093 9.923 1.00 0.54 C ATOM 301 CG GLU A 55 1.600 -13.831 10.435 1.00 1.31 C ATOM 302 CD GLU A 55 1.409 -15.184 9.779 1.00 1.54 C ATOM 303 OE1 GLU A 55 1.716 -15.315 8.577 1.00 2.33 O ATOM 304 OE2 GLU A 55 0.924 -16.118 10.451 1.00 1.65 O ATOM 0 H GLU A 55 1.093 -11.477 9.293 1.00 0.35 H new ATOM 0 HA GLU A 55 2.883 -11.588 11.452 1.00 0.43 H new ATOM 0 HB2 GLU A 55 2.846 -13.139 8.834 1.00 0.54 H new ATOM 0 HB3 GLU A 55 3.725 -13.604 10.277 1.00 0.54 H new ATOM 0 HG2 GLU A 55 1.685 -13.964 11.513 1.00 1.31 H new ATOM 0 HG3 GLU A 55 0.715 -13.219 10.258 1.00 1.31 H new ATOM 311 N ILE A 56 4.078 -10.358 8.683 1.00 0.32 N ATOM 312 CA ILE A 56 5.219 -9.648 8.119 1.00 0.35 C ATOM 313 C ILE A 56 5.305 -8.216 8.661 1.00 0.32 C ATOM 314 O ILE A 56 6.359 -7.780 9.127 1.00 0.45 O ATOM 315 CB ILE A 56 5.132 -9.619 6.580 1.00 0.39 C ATOM 316 CG1 ILE A 56 5.025 -11.050 6.047 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.344 -8.912 5.984 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.547 -11.135 4.617 1.00 0.64 C ATOM 0 H ILE A 56 3.238 -10.338 8.105 1.00 0.32 H new ATOM 0 HA ILE A 56 6.121 -10.184 8.416 1.00 0.35 H new ATOM 0 HB ILE A 56 4.243 -9.062 6.285 1.00 0.39 H new ATOM 0 HG12 ILE A 56 6.001 -11.530 6.123 1.00 0.45 H new ATOM 0 HG13 ILE A 56 4.342 -11.614 6.682 1.00 0.45 H new ATOM 0 HG21 ILE A 56 6.262 -8.903 4.897 1.00 0.45 H new ATOM 0 HG22 ILE A 56 6.385 -7.887 6.353 1.00 0.45 H new ATOM 0 HG23 ILE A 56 7.252 -9.439 6.275 1.00 0.45 H new ATOM 0 HD11 ILE A 56 4.497 -12.180 4.312 1.00 0.64 H new ATOM 0 HD12 ILE A 56 3.557 -10.686 4.537 1.00 0.64 H new ATOM 0 HD13 ILE A 56 5.241 -10.600 3.969 1.00 0.64 H new ATOM 330 N PHE A 57 4.181 -7.505 8.627 1.00 0.20 N ATOM 331 CA PHE A 57 4.112 -6.098 9.042 1.00 0.19 C ATOM 332 C PHE A 57 4.609 -5.911 10.472 1.00 0.16 C ATOM 333 O PHE A 57 5.293 -4.936 10.783 1.00 0.15 O ATOM 334 CB PHE A 57 2.663 -5.606 8.920 1.00 0.21 C ATOM 335 CG PHE A 57 2.451 -4.150 9.234 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.812 -3.171 8.324 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.912 -3.762 10.448 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.639 -1.833 8.620 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.733 -2.428 10.748 1.00 0.25 C ATOM 340 CZ PHE A 57 2.023 -1.464 9.792 1.00 0.27 C ATOM 0 H PHE A 57 3.289 -7.885 8.311 1.00 0.20 H new ATOM 0 HA PHE A 57 4.760 -5.514 8.389 1.00 0.19 H new ATOM 0 HB2 PHE A 57 2.316 -5.796 7.904 1.00 0.21 H new ATOM 0 HB3 PHE A 57 2.038 -6.200 9.587 1.00 0.21 H new ATOM 0 HD1 PHE A 57 3.234 -3.457 7.372 1.00 0.26 H new ATOM 0 HD2 PHE A 57 1.628 -4.514 11.170 1.00 0.22 H new ATOM 0 HE1 PHE A 57 2.987 -1.078 7.931 1.00 0.29 H new ATOM 0 HE2 PHE A 57 1.369 -2.135 11.722 1.00 0.25 H new ATOM 0 HZ PHE A 57 1.766 -0.430 9.968 1.00 0.27 H new ATOM 350 N TYR A 58 4.299 -6.873 11.331 1.00 0.19 N ATOM 351 CA TYR A 58 4.609 -6.763 12.751 1.00 0.22 C ATOM 352 C TYR A 58 6.063 -7.109 13.035 1.00 0.26 C ATOM 353 O TYR A 58 6.552 -6.887 14.139 1.00 0.39 O ATOM 354 CB TYR A 58 3.672 -7.651 13.570 1.00 0.26 C ATOM 355 CG TYR A 58 2.284 -7.065 13.729 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.703 -6.318 12.712 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.549 -7.267 14.891 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.434 -5.790 12.852 1.00 1.17 C ATOM 359 CE2 TYR A 58 0.281 -6.744 15.039 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.255 -5.972 14.022 1.00 0.83 C ATOM 361 OH TYR A 58 -1.530 -5.485 14.161 1.00 1.05 O ATOM 0 H TYR A 58 3.832 -7.741 11.069 1.00 0.19 H new ATOM 0 HA TYR A 58 4.456 -5.725 13.047 1.00 0.22 H new ATOM 0 HB2 TYR A 58 3.595 -8.627 13.090 1.00 0.26 H new ATOM 0 HB3 TYR A 58 4.106 -7.814 14.556 1.00 0.26 H new ATOM 0 HD1 TYR A 58 2.252 -6.147 11.798 1.00 1.07 H new ATOM 0 HD2 TYR A 58 1.979 -7.846 15.695 1.00 1.04 H new ATOM 0 HE1 TYR A 58 -0.014 -5.235 12.041 1.00 1.17 H new ATOM 0 HE2 TYR A 58 -0.287 -6.934 15.938 1.00 1.17 H new ATOM 0 HH TYR A 58 -1.869 -5.705 15.054 1.00 1.05 H new ATOM 371 N THR A 59 6.761 -7.642 12.043 1.00 0.25 N ATOM 372 CA THR A 59 8.177 -7.940 12.205 1.00 0.29 C ATOM 373 C THR A 59 9.032 -6.827 11.610 1.00 0.29 C ATOM 374 O THR A 59 10.259 -6.850 11.701 1.00 0.36 O ATOM 375 CB THR A 59 8.561 -9.298 11.579 1.00 0.35 C ATOM 376 OG1 THR A 59 8.207 -9.334 10.191 1.00 0.44 O ATOM 377 CG2 THR A 59 7.873 -10.443 12.309 1.00 0.38 C ATOM 0 H THR A 59 6.376 -7.875 11.128 1.00 0.25 H new ATOM 0 HA THR A 59 8.369 -8.005 13.276 1.00 0.29 H new ATOM 0 HB THR A 59 9.641 -9.415 11.674 1.00 0.35 H new ATOM 0 HG1 THR A 59 7.702 -8.526 9.961 1.00 0.44 H new ATOM 0 HG21 THR A 59 8.158 -11.390 11.851 1.00 0.38 H new ATOM 0 HG22 THR A 59 8.175 -10.441 13.356 1.00 0.38 H new ATOM 0 HG23 THR A 59 6.792 -10.319 12.243 1.00 0.38 H new ATOM 385 N LEU A 60 8.368 -5.837 11.022 1.00 0.26 N ATOM 386 CA LEU A 60 9.049 -4.698 10.419 1.00 0.27 C ATOM 387 C LEU A 60 9.071 -3.514 11.385 1.00 0.30 C ATOM 388 O LEU A 60 9.403 -2.396 10.999 1.00 0.38 O ATOM 389 CB LEU A 60 8.363 -4.295 9.107 1.00 0.29 C ATOM 390 CG LEU A 60 8.920 -4.950 7.837 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.881 -6.463 7.926 1.00 1.37 C ATOM 392 CD2 LEU A 60 8.143 -4.476 6.619 1.00 1.22 C ATOM 0 H LEU A 60 7.351 -5.802 10.950 1.00 0.26 H new ATOM 0 HA LEU A 60 10.076 -4.990 10.201 1.00 0.27 H new ATOM 0 HB2 LEU A 60 7.303 -4.537 9.183 1.00 0.29 H new ATOM 0 HB3 LEU A 60 8.436 -3.213 8.998 1.00 0.29 H new ATOM 0 HG LEU A 60 9.963 -4.650 7.738 1.00 0.31 H new ATOM 0 HD11 LEU A 60 9.283 -6.892 7.008 1.00 1.37 H new ATOM 0 HD12 LEU A 60 9.481 -6.793 8.774 1.00 1.37 H new ATOM 0 HD13 LEU A 60 7.851 -6.793 8.059 1.00 1.37 H new ATOM 0 HD21 LEU A 60 8.547 -4.948 5.723 1.00 1.22 H new ATOM 0 HD22 LEU A 60 7.093 -4.747 6.729 1.00 1.22 H new ATOM 0 HD23 LEU A 60 8.231 -3.393 6.530 1.00 1.22 H new ATOM 404 N SER A 61 8.728 -3.791 12.644 1.00 0.27 N ATOM 405 CA SER A 61 8.679 -2.775 13.694 1.00 0.30 C ATOM 406 C SER A 61 7.605 -1.723 13.404 1.00 0.28 C ATOM 407 O SER A 61 7.916 -0.592 13.021 1.00 0.36 O ATOM 408 CB SER A 61 10.056 -2.116 13.877 1.00 0.41 C ATOM 409 OG SER A 61 10.016 -1.105 14.869 1.00 1.24 O ATOM 0 H SER A 61 8.476 -4.726 12.963 1.00 0.27 H new ATOM 0 HA SER A 61 8.410 -3.272 14.626 1.00 0.30 H new ATOM 0 HB2 SER A 61 10.789 -2.873 14.156 1.00 0.41 H new ATOM 0 HB3 SER A 61 10.385 -1.687 12.931 1.00 0.41 H new ATOM 0 HG SER A 61 10.906 -0.705 14.965 1.00 1.24 H new ATOM 415 N PRO A 62 6.319 -2.086 13.571 1.00 0.24 N ATOM 416 CA PRO A 62 5.212 -1.158 13.347 1.00 0.29 C ATOM 417 C PRO A 62 5.035 -0.173 14.502 1.00 0.32 C ATOM 418 O PRO A 62 4.920 -0.569 15.663 1.00 0.47 O ATOM 419 CB PRO A 62 3.994 -2.078 13.241 1.00 0.35 C ATOM 420 CG PRO A 62 4.348 -3.279 14.049 1.00 0.33 C ATOM 421 CD PRO A 62 5.847 -3.426 13.976 1.00 0.23 C ATOM 0 HA PRO A 62 5.374 -0.537 12.466 1.00 0.29 H new ATOM 0 HB2 PRO A 62 3.098 -1.593 13.627 1.00 0.35 H new ATOM 0 HB3 PRO A 62 3.790 -2.346 12.204 1.00 0.35 H new ATOM 0 HG2 PRO A 62 4.021 -3.160 15.082 1.00 0.33 H new ATOM 0 HG3 PRO A 62 3.853 -4.168 13.658 1.00 0.33 H new ATOM 0 HD2 PRO A 62 6.266 -3.723 14.937 1.00 0.23 H new ATOM 0 HD3 PRO A 62 6.139 -4.187 13.252 1.00 0.23 H new ATOM 429 N VAL A 63 5.021 1.109 14.177 1.00 0.29 N ATOM 430 CA VAL A 63 4.810 2.149 15.167 1.00 0.36 C ATOM 431 C VAL A 63 3.438 2.794 14.979 1.00 0.37 C ATOM 432 O VAL A 63 3.166 3.433 13.961 1.00 0.38 O ATOM 433 CB VAL A 63 5.925 3.226 15.129 1.00 0.47 C ATOM 434 CG1 VAL A 63 7.237 2.653 15.644 1.00 1.02 C ATOM 435 CG2 VAL A 63 6.115 3.783 13.724 1.00 1.02 C ATOM 0 H VAL A 63 5.155 1.455 13.227 1.00 0.29 H new ATOM 0 HA VAL A 63 4.850 1.676 16.148 1.00 0.36 H new ATOM 0 HB VAL A 63 5.614 4.045 15.778 1.00 0.47 H new ATOM 0 HG11 VAL A 63 8.008 3.422 15.610 1.00 1.02 H new ATOM 0 HG12 VAL A 63 7.107 2.314 16.672 1.00 1.02 H new ATOM 0 HG13 VAL A 63 7.537 1.811 15.019 1.00 1.02 H new ATOM 0 HG21 VAL A 63 6.904 4.535 13.734 1.00 1.02 H new ATOM 0 HG22 VAL A 63 6.393 2.975 13.047 1.00 1.02 H new ATOM 0 HG23 VAL A 63 5.185 4.238 13.384 1.00 1.02 H new ATOM 445 N ASN A 64 2.562 2.580 15.959 1.00 0.44 N ATOM 446 CA ASN A 64 1.206 3.132 15.943 1.00 0.52 C ATOM 447 C ASN A 64 0.413 2.613 14.745 1.00 0.44 C ATOM 448 O ASN A 64 -0.425 3.321 14.186 1.00 0.50 O ATOM 449 CB ASN A 64 1.245 4.667 15.940 1.00 0.64 C ATOM 450 CG ASN A 64 1.780 5.236 17.244 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.636 4.633 18.310 1.00 1.34 O ATOM 452 ND2 ASN A 64 2.390 6.409 17.176 1.00 1.31 N ATOM 0 H ASN A 64 2.770 2.020 16.786 1.00 0.44 H new ATOM 0 HA ASN A 64 0.700 2.801 16.850 1.00 0.52 H new ATOM 0 HB2 ASN A 64 1.868 5.010 15.114 1.00 0.64 H new ATOM 0 HB3 ASN A 64 0.241 5.053 15.763 1.00 0.64 H new ATOM 0 HD21 ASN A 64 2.759 6.842 18.023 1.00 1.31 H new ATOM 0 HD22 ASN A 64 2.491 6.880 16.277 1.00 1.31 H new ATOM 459 N GLY A 65 0.673 1.361 14.374 1.00 0.40 N ATOM 460 CA GLY A 65 -0.040 0.735 13.273 1.00 0.43 C ATOM 461 C GLY A 65 0.461 1.184 11.913 1.00 0.33 C ATOM 462 O GLY A 65 -0.256 1.081 10.916 1.00 0.35 O ATOM 0 H GLY A 65 1.370 0.765 14.820 1.00 0.40 H new ATOM 0 HA2 GLY A 65 0.059 -0.348 13.352 1.00 0.43 H new ATOM 0 HA3 GLY A 65 -1.102 0.965 13.357 1.00 0.43 H new ATOM 466 N LYS A 66 1.688 1.683 11.878 1.00 0.28 N ATOM 467 CA LYS A 66 2.296 2.175 10.645 1.00 0.26 C ATOM 468 C LYS A 66 3.772 1.788 10.603 1.00 0.23 C ATOM 469 O LYS A 66 4.412 1.675 11.643 1.00 0.27 O ATOM 470 CB LYS A 66 2.190 3.704 10.559 1.00 0.34 C ATOM 471 CG LYS A 66 0.784 4.258 10.732 1.00 0.64 C ATOM 472 CD LYS A 66 0.801 5.778 10.742 1.00 0.75 C ATOM 473 CE LYS A 66 -0.552 6.367 11.116 1.00 1.05 C ATOM 474 NZ LYS A 66 -1.570 6.183 10.049 1.00 1.48 N ATOM 0 H LYS A 66 2.290 1.759 12.698 1.00 0.28 H new ATOM 0 HA LYS A 66 1.765 1.727 9.805 1.00 0.26 H new ATOM 0 HB2 LYS A 66 2.834 4.142 11.322 1.00 0.34 H new ATOM 0 HB3 LYS A 66 2.576 4.027 9.592 1.00 0.34 H new ATOM 0 HG2 LYS A 66 0.146 3.902 9.923 1.00 0.64 H new ATOM 0 HG3 LYS A 66 0.354 3.888 11.663 1.00 0.64 H new ATOM 0 HD2 LYS A 66 1.555 6.126 11.448 1.00 0.75 H new ATOM 0 HD3 LYS A 66 1.094 6.143 9.758 1.00 0.75 H new ATOM 0 HE2 LYS A 66 -0.906 5.900 12.035 1.00 1.05 H new ATOM 0 HE3 LYS A 66 -0.436 7.431 11.323 1.00 1.05 H new ATOM 0 HZ1 LYS A 66 -2.308 6.910 10.144 1.00 1.48 H new ATOM 0 HZ2 LYS A 66 -1.116 6.270 9.117 1.00 1.48 H new ATOM 0 HZ3 LYS A 66 -2.000 5.240 10.138 1.00 1.48 H new ATOM 488 N ILE A 67 4.306 1.569 9.412 1.00 0.25 N ATOM 489 CA ILE A 67 5.744 1.384 9.253 1.00 0.27 C ATOM 490 C ILE A 67 6.316 2.492 8.379 1.00 0.26 C ATOM 491 O ILE A 67 5.582 3.143 7.634 1.00 0.29 O ATOM 492 CB ILE A 67 6.123 0.018 8.642 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.422 -0.193 7.294 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.796 -1.112 9.609 1.00 0.33 C ATOM 495 CD1 ILE A 67 5.857 -1.451 6.577 1.00 0.64 C ATOM 0 H ILE A 67 3.772 1.515 8.545 1.00 0.25 H new ATOM 0 HA ILE A 67 6.169 1.419 10.256 1.00 0.27 H new ATOM 0 HB ILE A 67 7.198 0.012 8.464 1.00 0.30 H new ATOM 0 HG12 ILE A 67 4.345 -0.231 7.456 1.00 0.28 H new ATOM 0 HG13 ILE A 67 5.618 0.667 6.653 1.00 0.28 H new ATOM 0 HG21 ILE A 67 6.071 -2.066 9.160 1.00 0.33 H new ATOM 0 HG22 ILE A 67 6.355 -0.972 10.534 1.00 0.33 H new ATOM 0 HG23 ILE A 67 4.728 -1.107 9.826 1.00 0.33 H new ATOM 0 HD11 ILE A 67 5.321 -1.535 5.632 1.00 0.64 H new ATOM 0 HD12 ILE A 67 6.929 -1.407 6.383 1.00 0.64 H new ATOM 0 HD13 ILE A 67 5.636 -2.319 7.198 1.00 0.64 H new ATOM 507 N THR A 68 7.621 2.697 8.462 1.00 0.32 N ATOM 508 CA THR A 68 8.266 3.768 7.719 1.00 0.36 C ATOM 509 C THR A 68 8.629 3.303 6.312 1.00 0.33 C ATOM 510 O THR A 68 8.540 2.112 5.994 1.00 0.33 O ATOM 511 CB THR A 68 9.536 4.271 8.437 1.00 0.45 C ATOM 512 OG1 THR A 68 10.530 3.240 8.473 1.00 0.55 O ATOM 513 CG2 THR A 68 9.210 4.722 9.857 1.00 0.50 C ATOM 0 H THR A 68 8.253 2.138 9.035 1.00 0.32 H new ATOM 0 HA THR A 68 7.555 4.592 7.657 1.00 0.36 H new ATOM 0 HB THR A 68 9.925 5.123 7.879 1.00 0.45 H new ATOM 0 HG1 THR A 68 10.126 2.407 8.794 1.00 0.55 H new ATOM 0 HG21 THR A 68 10.119 5.073 10.345 1.00 0.50 H new ATOM 0 HG22 THR A 68 8.481 5.532 9.823 1.00 0.50 H new ATOM 0 HG23 THR A 68 8.797 3.884 10.419 1.00 0.50 H new ATOM 521 N GLY A 69 9.049 4.249 5.476 1.00 0.37 N ATOM 522 CA GLY A 69 9.448 3.924 4.125 1.00 0.41 C ATOM 523 C GLY A 69 10.680 3.044 4.084 1.00 0.35 C ATOM 524 O GLY A 69 10.921 2.360 3.097 1.00 0.37 O ATOM 0 H GLY A 69 9.119 5.238 5.715 1.00 0.37 H new ATOM 0 HA2 GLY A 69 8.626 3.418 3.618 1.00 0.41 H new ATOM 0 HA3 GLY A 69 9.644 4.845 3.575 1.00 0.41 H new ATOM 528 N ALA A 70 11.452 3.054 5.169 1.00 0.33 N ATOM 529 CA ALA A 70 12.670 2.258 5.261 1.00 0.33 C ATOM 530 C ALA A 70 12.361 0.770 5.189 1.00 0.31 C ATOM 531 O ALA A 70 12.912 0.047 4.359 1.00 0.34 O ATOM 532 CB ALA A 70 13.406 2.584 6.551 1.00 0.38 C ATOM 0 H ALA A 70 11.252 3.609 6.001 1.00 0.33 H new ATOM 0 HA ALA A 70 13.307 2.508 4.413 1.00 0.33 H new ATOM 0 HB1 ALA A 70 14.315 1.985 6.613 1.00 0.38 H new ATOM 0 HB2 ALA A 70 13.667 3.642 6.564 1.00 0.38 H new ATOM 0 HB3 ALA A 70 12.765 2.358 7.403 1.00 0.38 H new ATOM 538 N ASN A 71 11.450 0.330 6.036 1.00 0.33 N ATOM 539 CA ASN A 71 11.132 -1.088 6.152 1.00 0.36 C ATOM 540 C ASN A 71 10.379 -1.553 4.916 1.00 0.32 C ATOM 541 O ASN A 71 10.651 -2.627 4.367 1.00 0.32 O ATOM 542 CB ASN A 71 10.304 -1.335 7.417 1.00 0.46 C ATOM 543 CG ASN A 71 10.658 -0.354 8.521 1.00 0.76 C ATOM 544 OD1 ASN A 71 9.956 0.638 8.732 1.00 1.81 O ATOM 545 ND2 ASN A 71 11.772 -0.582 9.197 1.00 0.61 N ATOM 0 H ASN A 71 10.913 0.934 6.658 1.00 0.33 H new ATOM 0 HA ASN A 71 12.057 -1.660 6.228 1.00 0.36 H new ATOM 0 HB2 ASN A 71 9.244 -1.249 7.180 1.00 0.46 H new ATOM 0 HB3 ASN A 71 10.471 -2.353 7.768 1.00 0.46 H new ATOM 0 HD21 ASN A 71 12.074 0.073 9.918 1.00 0.61 H new ATOM 0 HD22 ASN A 71 12.329 -1.413 8.997 1.00 0.61 H new ATOM 552 N ALA A 72 9.452 -0.717 4.464 1.00 0.32 N ATOM 553 CA ALA A 72 8.691 -0.995 3.257 1.00 0.33 C ATOM 554 C ALA A 72 9.617 -1.085 2.047 1.00 0.30 C ATOM 555 O ALA A 72 9.423 -1.924 1.167 1.00 0.32 O ATOM 556 CB ALA A 72 7.643 0.081 3.045 1.00 0.39 C ATOM 0 H ALA A 72 9.210 0.163 4.920 1.00 0.32 H new ATOM 0 HA ALA A 72 8.190 -1.956 3.374 1.00 0.33 H new ATOM 0 HB1 ALA A 72 7.078 -0.135 2.139 1.00 0.39 H new ATOM 0 HB2 ALA A 72 6.966 0.102 3.899 1.00 0.39 H new ATOM 0 HB3 ALA A 72 8.132 1.050 2.945 1.00 0.39 H new ATOM 562 N LYS A 73 10.634 -0.225 2.019 1.00 0.29 N ATOM 563 CA LYS A 73 11.606 -0.232 0.936 1.00 0.30 C ATOM 564 C LYS A 73 12.383 -1.533 0.931 1.00 0.26 C ATOM 565 O LYS A 73 12.598 -2.117 -0.121 1.00 0.27 O ATOM 566 CB LYS A 73 12.575 0.944 1.052 1.00 0.36 C ATOM 567 CG LYS A 73 13.426 1.158 -0.187 1.00 0.47 C ATOM 568 CD LYS A 73 14.181 2.472 -0.123 1.00 0.67 C ATOM 569 CE LYS A 73 14.908 2.748 -1.426 1.00 0.84 C ATOM 570 NZ LYS A 73 15.510 4.103 -1.435 1.00 0.76 N ATOM 0 H LYS A 73 10.803 0.483 2.734 1.00 0.29 H new ATOM 0 HA LYS A 73 11.057 -0.135 -0.001 1.00 0.30 H new ATOM 0 HB2 LYS A 73 12.007 1.852 1.253 1.00 0.36 H new ATOM 0 HB3 LYS A 73 13.230 0.781 1.908 1.00 0.36 H new ATOM 0 HG2 LYS A 73 14.134 0.335 -0.290 1.00 0.47 H new ATOM 0 HG3 LYS A 73 12.791 1.145 -1.073 1.00 0.47 H new ATOM 0 HD2 LYS A 73 13.486 3.285 0.088 1.00 0.67 H new ATOM 0 HD3 LYS A 73 14.897 2.444 0.698 1.00 0.67 H new ATOM 0 HE2 LYS A 73 15.688 2.001 -1.574 1.00 0.84 H new ATOM 0 HE3 LYS A 73 14.212 2.652 -2.260 1.00 0.84 H new ATOM 0 HZ1 LYS A 73 16.150 4.193 -2.250 1.00 0.76 H new ATOM 0 HZ2 LYS A 73 14.757 4.817 -1.506 1.00 0.76 H new ATOM 0 HZ3 LYS A 73 16.046 4.251 -0.556 1.00 0.76 H new ATOM 584 N LYS A 74 12.790 -1.991 2.109 1.00 0.26 N ATOM 585 CA LYS A 74 13.557 -3.228 2.221 1.00 0.29 C ATOM 586 C LYS A 74 12.763 -4.403 1.650 1.00 0.29 C ATOM 587 O LYS A 74 13.301 -5.214 0.895 1.00 0.35 O ATOM 588 CB LYS A 74 13.944 -3.510 3.678 1.00 0.34 C ATOM 589 CG LYS A 74 14.722 -2.379 4.335 1.00 1.03 C ATOM 590 CD LYS A 74 15.067 -2.694 5.782 1.00 1.05 C ATOM 591 CE LYS A 74 16.181 -3.720 5.892 1.00 1.63 C ATOM 592 NZ LYS A 74 17.483 -3.181 5.418 1.00 1.95 N ATOM 0 H LYS A 74 12.603 -1.527 2.998 1.00 0.26 H new ATOM 0 HA LYS A 74 14.473 -3.106 1.643 1.00 0.29 H new ATOM 0 HB2 LYS A 74 13.039 -3.699 4.255 1.00 0.34 H new ATOM 0 HB3 LYS A 74 14.542 -4.420 3.716 1.00 0.34 H new ATOM 0 HG2 LYS A 74 15.639 -2.196 3.775 1.00 1.03 H new ATOM 0 HG3 LYS A 74 14.134 -1.462 4.293 1.00 1.03 H new ATOM 0 HD2 LYS A 74 15.367 -1.778 6.291 1.00 1.05 H new ATOM 0 HD3 LYS A 74 14.179 -3.067 6.293 1.00 1.05 H new ATOM 0 HE2 LYS A 74 16.277 -4.041 6.929 1.00 1.63 H new ATOM 0 HE3 LYS A 74 15.920 -4.603 5.308 1.00 1.63 H new ATOM 0 HZ1 LYS A 74 18.254 -3.793 5.752 1.00 1.95 H new ATOM 0 HZ2 LYS A 74 17.489 -3.153 4.378 1.00 1.95 H new ATOM 0 HZ3 LYS A 74 17.617 -2.220 5.791 1.00 1.95 H new ATOM 606 N GLU A 75 11.478 -4.472 1.996 1.00 0.31 N ATOM 607 CA GLU A 75 10.601 -5.516 1.467 1.00 0.35 C ATOM 608 C GLU A 75 10.505 -5.414 -0.055 1.00 0.32 C ATOM 609 O GLU A 75 10.677 -6.406 -0.767 1.00 0.35 O ATOM 610 CB GLU A 75 9.208 -5.407 2.101 1.00 0.41 C ATOM 611 CG GLU A 75 8.185 -6.389 1.535 1.00 0.59 C ATOM 612 CD GLU A 75 8.618 -7.837 1.666 1.00 0.93 C ATOM 613 OE1 GLU A 75 8.729 -8.334 2.805 1.00 1.09 O ATOM 614 OE2 GLU A 75 8.849 -8.488 0.628 1.00 1.60 O ATOM 0 H GLU A 75 11.023 -3.821 2.637 1.00 0.31 H new ATOM 0 HA GLU A 75 11.025 -6.488 1.719 1.00 0.35 H new ATOM 0 HB2 GLU A 75 9.296 -5.570 3.175 1.00 0.41 H new ATOM 0 HB3 GLU A 75 8.836 -4.392 1.962 1.00 0.41 H new ATOM 0 HG2 GLU A 75 7.234 -6.252 2.050 1.00 0.59 H new ATOM 0 HG3 GLU A 75 8.014 -6.161 0.483 1.00 0.59 H new ATOM 621 N MET A 76 10.257 -4.209 -0.552 1.00 0.29 N ATOM 622 CA MET A 76 10.137 -3.992 -1.989 1.00 0.30 C ATOM 623 C MET A 76 11.449 -4.297 -2.707 1.00 0.30 C ATOM 624 O MET A 76 11.458 -4.778 -3.838 1.00 0.38 O ATOM 625 CB MET A 76 9.705 -2.561 -2.283 1.00 0.39 C ATOM 626 CG MET A 76 8.282 -2.255 -1.857 1.00 0.56 C ATOM 627 SD MET A 76 7.690 -0.690 -2.516 1.00 1.04 S ATOM 628 CE MET A 76 6.084 -0.588 -1.747 1.00 1.24 C ATOM 0 H MET A 76 10.135 -3.370 0.015 1.00 0.29 H new ATOM 0 HA MET A 76 9.375 -4.676 -2.362 1.00 0.30 H new ATOM 0 HB2 MET A 76 10.383 -1.875 -1.775 1.00 0.39 H new ATOM 0 HB3 MET A 76 9.803 -2.373 -3.352 1.00 0.39 H new ATOM 0 HG2 MET A 76 7.625 -3.058 -2.191 1.00 0.56 H new ATOM 0 HG3 MET A 76 8.229 -2.231 -0.769 1.00 0.56 H new ATOM 0 HE1 MET A 76 5.582 0.323 -2.072 1.00 1.24 H new ATOM 0 HE2 MET A 76 5.487 -1.454 -2.035 1.00 1.24 H new ATOM 0 HE3 MET A 76 6.200 -0.571 -0.663 1.00 1.24 H new ATOM 638 N VAL A 77 12.556 -4.028 -2.036 1.00 0.29 N ATOM 639 CA VAL A 77 13.875 -4.340 -2.567 1.00 0.35 C ATOM 640 C VAL A 77 14.042 -5.853 -2.702 1.00 0.33 C ATOM 641 O VAL A 77 14.721 -6.341 -3.610 1.00 0.37 O ATOM 642 CB VAL A 77 14.986 -3.735 -1.672 1.00 0.51 C ATOM 643 CG1 VAL A 77 16.352 -4.313 -1.989 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.028 -2.223 -1.827 1.00 1.14 C ATOM 0 H VAL A 77 12.568 -3.591 -1.115 1.00 0.29 H new ATOM 0 HA VAL A 77 13.968 -3.893 -3.557 1.00 0.35 H new ATOM 0 HB VAL A 77 14.741 -3.993 -0.642 1.00 0.51 H new ATOM 0 HG11 VAL A 77 17.099 -3.860 -1.337 1.00 1.57 H new ATOM 0 HG12 VAL A 77 16.337 -5.391 -1.829 1.00 1.57 H new ATOM 0 HG13 VAL A 77 16.603 -4.104 -3.029 1.00 1.57 H new ATOM 0 HG21 VAL A 77 15.814 -1.814 -1.192 1.00 1.14 H new ATOM 0 HG22 VAL A 77 15.233 -1.969 -2.867 1.00 1.14 H new ATOM 0 HG23 VAL A 77 14.067 -1.800 -1.533 1.00 1.14 H new ATOM 654 N LYS A 78 13.382 -6.595 -1.822 1.00 0.36 N ATOM 655 CA LYS A 78 13.442 -8.052 -1.862 1.00 0.45 C ATOM 656 C LYS A 78 12.515 -8.625 -2.928 1.00 0.42 C ATOM 657 O LYS A 78 12.767 -9.708 -3.454 1.00 0.47 O ATOM 658 CB LYS A 78 13.103 -8.657 -0.499 1.00 0.61 C ATOM 659 CG LYS A 78 14.133 -8.359 0.578 1.00 0.71 C ATOM 660 CD LYS A 78 15.539 -8.678 0.099 1.00 1.25 C ATOM 661 CE LYS A 78 16.553 -8.516 1.216 1.00 1.79 C ATOM 662 NZ LYS A 78 17.946 -8.508 0.698 1.00 2.79 N ATOM 0 H LYS A 78 12.801 -6.215 -1.075 1.00 0.36 H new ATOM 0 HA LYS A 78 14.467 -8.319 -2.120 1.00 0.45 H new ATOM 0 HB2 LYS A 78 12.133 -8.279 -0.175 1.00 0.61 H new ATOM 0 HB3 LYS A 78 13.005 -9.737 -0.606 1.00 0.61 H new ATOM 0 HG2 LYS A 78 14.073 -7.308 0.862 1.00 0.71 H new ATOM 0 HG3 LYS A 78 13.909 -8.943 1.470 1.00 0.71 H new ATOM 0 HD2 LYS A 78 15.573 -9.699 -0.280 1.00 1.25 H new ATOM 0 HD3 LYS A 78 15.801 -8.021 -0.730 1.00 1.25 H new ATOM 0 HE2 LYS A 78 16.359 -7.587 1.752 1.00 1.79 H new ATOM 0 HE3 LYS A 78 16.436 -9.328 1.934 1.00 1.79 H new ATOM 0 HZ1 LYS A 78 18.610 -8.396 1.490 1.00 2.79 H new ATOM 0 HZ2 LYS A 78 18.140 -9.405 0.209 1.00 2.79 H new ATOM 0 HZ3 LYS A 78 18.064 -7.718 0.032 1.00 2.79 H new ATOM 676 N SER A 79 11.449 -7.902 -3.257 1.00 0.40 N ATOM 677 CA SER A 79 10.526 -8.357 -4.292 1.00 0.43 C ATOM 678 C SER A 79 11.216 -8.370 -5.657 1.00 0.38 C ATOM 679 O SER A 79 10.716 -8.970 -6.608 1.00 0.44 O ATOM 680 CB SER A 79 9.278 -7.471 -4.337 1.00 0.54 C ATOM 681 OG SER A 79 9.570 -6.181 -4.846 1.00 1.27 O ATOM 0 H SER A 79 11.204 -7.009 -2.828 1.00 0.40 H new ATOM 0 HA SER A 79 10.217 -9.373 -4.047 1.00 0.43 H new ATOM 0 HB2 SER A 79 8.518 -7.944 -4.959 1.00 0.54 H new ATOM 0 HB3 SER A 79 8.859 -7.381 -3.335 1.00 0.54 H new ATOM 0 HG SER A 79 10.384 -5.838 -4.421 1.00 1.27 H new ATOM 687 N LYS A 80 12.370 -7.696 -5.727 1.00 0.39 N ATOM 688 CA LYS A 80 13.210 -7.665 -6.923 1.00 0.42 C ATOM 689 C LYS A 80 12.561 -6.860 -8.043 1.00 0.35 C ATOM 690 O LYS A 80 12.934 -6.985 -9.212 1.00 0.45 O ATOM 691 CB LYS A 80 13.530 -9.088 -7.386 1.00 0.54 C ATOM 692 CG LYS A 80 14.435 -9.847 -6.425 1.00 0.85 C ATOM 693 CD LYS A 80 14.493 -11.329 -6.755 1.00 1.32 C ATOM 694 CE LYS A 80 13.187 -12.031 -6.411 1.00 2.10 C ATOM 695 NZ LYS A 80 12.922 -12.024 -4.947 1.00 2.97 N ATOM 0 H LYS A 80 12.747 -7.155 -4.949 1.00 0.39 H new ATOM 0 HA LYS A 80 14.144 -7.166 -6.664 1.00 0.42 H new ATOM 0 HB2 LYS A 80 12.598 -9.640 -7.509 1.00 0.54 H new ATOM 0 HB3 LYS A 80 14.007 -9.045 -8.365 1.00 0.54 H new ATOM 0 HG2 LYS A 80 15.440 -9.427 -6.464 1.00 0.85 H new ATOM 0 HG3 LYS A 80 14.073 -9.716 -5.405 1.00 0.85 H new ATOM 0 HD2 LYS A 80 14.708 -11.458 -7.816 1.00 1.32 H new ATOM 0 HD3 LYS A 80 15.312 -11.793 -6.205 1.00 1.32 H new ATOM 0 HE2 LYS A 80 12.364 -11.541 -6.931 1.00 2.10 H new ATOM 0 HE3 LYS A 80 13.223 -13.060 -6.768 1.00 2.10 H new ATOM 0 HZ1 LYS A 80 12.120 -12.652 -4.736 1.00 2.97 H new ATOM 0 HZ2 LYS A 80 13.766 -12.359 -4.440 1.00 2.97 H new ATOM 0 HZ3 LYS A 80 12.694 -11.057 -4.640 1.00 2.97 H new ATOM 709 N LEU A 81 11.600 -6.023 -7.682 1.00 0.31 N ATOM 710 CA LEU A 81 10.991 -5.116 -8.638 1.00 0.30 C ATOM 711 C LEU A 81 11.861 -3.872 -8.788 1.00 0.30 C ATOM 712 O LEU A 81 12.478 -3.429 -7.818 1.00 0.41 O ATOM 713 CB LEU A 81 9.582 -4.718 -8.187 1.00 0.37 C ATOM 714 CG LEU A 81 8.581 -5.870 -8.067 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.248 -5.364 -7.544 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.392 -6.556 -9.412 1.00 0.47 C ATOM 0 H LEU A 81 11.227 -5.954 -6.735 1.00 0.31 H new ATOM 0 HA LEU A 81 10.912 -5.623 -9.600 1.00 0.30 H new ATOM 0 HB2 LEU A 81 9.655 -4.221 -7.220 1.00 0.37 H new ATOM 0 HB3 LEU A 81 9.186 -3.987 -8.892 1.00 0.37 H new ATOM 0 HG LEU A 81 8.980 -6.597 -7.359 1.00 0.42 H new ATOM 0 HD11 LEU A 81 6.549 -6.196 -7.465 1.00 0.52 H new ATOM 0 HD12 LEU A 81 7.390 -4.915 -6.561 1.00 0.52 H new ATOM 0 HD13 LEU A 81 6.848 -4.617 -8.230 1.00 0.52 H new ATOM 0 HD21 LEU A 81 7.677 -7.372 -9.307 1.00 0.47 H new ATOM 0 HD22 LEU A 81 8.016 -5.835 -10.138 1.00 0.47 H new ATOM 0 HD23 LEU A 81 9.347 -6.953 -9.756 1.00 0.47 H new ATOM 728 N PRO A 82 11.943 -3.313 -10.006 1.00 0.28 N ATOM 729 CA PRO A 82 12.725 -2.098 -10.268 1.00 0.34 C ATOM 730 C PRO A 82 12.279 -0.921 -9.401 1.00 0.33 C ATOM 731 O PRO A 82 11.100 -0.806 -9.061 1.00 0.27 O ATOM 732 CB PRO A 82 12.452 -1.803 -11.747 1.00 0.43 C ATOM 733 CG PRO A 82 12.024 -3.107 -12.324 1.00 0.44 C ATOM 734 CD PRO A 82 11.294 -3.823 -11.223 1.00 0.37 C ATOM 0 HA PRO A 82 13.781 -2.240 -10.037 1.00 0.34 H new ATOM 0 HB2 PRO A 82 11.676 -1.046 -11.862 1.00 0.43 H new ATOM 0 HB3 PRO A 82 13.344 -1.424 -12.246 1.00 0.43 H new ATOM 0 HG2 PRO A 82 11.378 -2.958 -13.189 1.00 0.44 H new ATOM 0 HG3 PRO A 82 12.883 -3.685 -12.664 1.00 0.44 H new ATOM 0 HD2 PRO A 82 10.227 -3.600 -11.235 1.00 0.37 H new ATOM 0 HD3 PRO A 82 11.394 -4.905 -11.310 1.00 0.37 H new ATOM 742 N ASN A 83 13.235 -0.056 -9.058 1.00 0.44 N ATOM 743 CA ASN A 83 12.981 1.122 -8.221 1.00 0.49 C ATOM 744 C ASN A 83 11.800 1.932 -8.748 1.00 0.42 C ATOM 745 O ASN A 83 10.966 2.406 -7.978 1.00 0.41 O ATOM 746 CB ASN A 83 14.224 2.024 -8.168 1.00 0.64 C ATOM 747 CG ASN A 83 15.445 1.348 -7.560 1.00 1.05 C ATOM 748 OD1 ASN A 83 15.634 0.139 -7.689 1.00 1.85 O ATOM 749 ND2 ASN A 83 16.285 2.127 -6.896 1.00 1.79 N ATOM 0 H ASN A 83 14.207 -0.151 -9.352 1.00 0.44 H new ATOM 0 HA ASN A 83 12.744 0.764 -7.219 1.00 0.49 H new ATOM 0 HB2 ASN A 83 14.467 2.352 -9.179 1.00 0.64 H new ATOM 0 HB3 ASN A 83 13.989 2.918 -7.590 1.00 0.64 H new ATOM 0 HD21 ASN A 83 17.122 1.729 -6.471 1.00 1.79 H new ATOM 0 HD22 ASN A 83 16.095 3.125 -6.810 1.00 1.79 H new ATOM 756 N THR A 84 11.743 2.086 -10.066 1.00 0.43 N ATOM 757 CA THR A 84 10.670 2.821 -10.716 1.00 0.45 C ATOM 758 C THR A 84 9.308 2.217 -10.370 1.00 0.35 C ATOM 759 O THR A 84 8.377 2.930 -9.982 1.00 0.34 O ATOM 760 CB THR A 84 10.867 2.789 -12.239 1.00 0.59 C ATOM 761 OG1 THR A 84 12.274 2.707 -12.525 1.00 1.47 O ATOM 762 CG2 THR A 84 10.272 4.029 -12.894 1.00 1.27 C ATOM 0 H THR A 84 12.437 1.706 -10.710 1.00 0.43 H new ATOM 0 HA THR A 84 10.697 3.851 -10.360 1.00 0.45 H new ATOM 0 HB THR A 84 10.352 1.918 -12.645 1.00 0.59 H new ATOM 0 HG1 THR A 84 12.410 2.684 -13.495 1.00 1.47 H new ATOM 0 HG21 THR A 84 10.426 3.980 -13.972 1.00 1.27 H new ATOM 0 HG22 THR A 84 9.204 4.076 -12.681 1.00 1.27 H new ATOM 0 HG23 THR A 84 10.760 4.919 -12.498 1.00 1.27 H new ATOM 770 N VAL A 85 9.217 0.895 -10.486 1.00 0.32 N ATOM 771 CA VAL A 85 7.986 0.171 -10.198 1.00 0.32 C ATOM 772 C VAL A 85 7.608 0.330 -8.734 1.00 0.26 C ATOM 773 O VAL A 85 6.437 0.476 -8.397 1.00 0.31 O ATOM 774 CB VAL A 85 8.130 -1.330 -10.535 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.855 -2.091 -10.204 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.495 -1.510 -12.000 1.00 0.45 C ATOM 0 H VAL A 85 9.991 0.300 -10.781 1.00 0.32 H new ATOM 0 HA VAL A 85 7.199 0.593 -10.823 1.00 0.32 H new ATOM 0 HB VAL A 85 8.933 -1.740 -9.922 1.00 0.36 H new ATOM 0 HG11 VAL A 85 6.985 -3.144 -10.451 1.00 0.44 H new ATOM 0 HG12 VAL A 85 6.638 -1.992 -9.140 1.00 0.44 H new ATOM 0 HG13 VAL A 85 6.027 -1.682 -10.783 1.00 0.44 H new ATOM 0 HG21 VAL A 85 8.593 -2.573 -12.223 1.00 0.45 H new ATOM 0 HG22 VAL A 85 7.713 -1.079 -12.625 1.00 0.45 H new ATOM 0 HG23 VAL A 85 9.441 -1.008 -12.204 1.00 0.45 H new ATOM 786 N LEU A 86 8.613 0.329 -7.871 1.00 0.24 N ATOM 787 CA LEU A 86 8.397 0.479 -6.440 1.00 0.28 C ATOM 788 C LEU A 86 7.844 1.861 -6.122 1.00 0.24 C ATOM 789 O LEU A 86 7.003 2.013 -5.239 1.00 0.28 O ATOM 790 CB LEU A 86 9.698 0.247 -5.677 1.00 0.37 C ATOM 791 CG LEU A 86 10.359 -1.109 -5.935 1.00 0.51 C ATOM 792 CD1 LEU A 86 11.631 -1.257 -5.113 1.00 0.90 C ATOM 793 CD2 LEU A 86 9.391 -2.246 -5.647 1.00 0.82 C ATOM 0 H LEU A 86 9.592 0.225 -8.139 1.00 0.24 H new ATOM 0 HA LEU A 86 7.668 -0.268 -6.126 1.00 0.28 H new ATOM 0 HB2 LEU A 86 10.403 1.035 -5.941 1.00 0.37 H new ATOM 0 HB3 LEU A 86 9.499 0.341 -4.610 1.00 0.37 H new ATOM 0 HG LEU A 86 10.632 -1.157 -6.989 1.00 0.51 H new ATOM 0 HD11 LEU A 86 12.083 -2.229 -5.313 1.00 0.90 H new ATOM 0 HD12 LEU A 86 12.333 -0.468 -5.383 1.00 0.90 H new ATOM 0 HD13 LEU A 86 11.390 -1.181 -4.053 1.00 0.90 H new ATOM 0 HD21 LEU A 86 9.883 -3.200 -5.837 1.00 0.82 H new ATOM 0 HD22 LEU A 86 9.077 -2.201 -4.604 1.00 0.82 H new ATOM 0 HD23 LEU A 86 8.518 -2.153 -6.293 1.00 0.82 H new ATOM 805 N GLY A 87 8.313 2.866 -6.855 1.00 0.23 N ATOM 806 CA GLY A 87 7.792 4.208 -6.688 1.00 0.26 C ATOM 807 C GLY A 87 6.340 4.276 -7.098 1.00 0.27 C ATOM 808 O GLY A 87 5.528 4.962 -6.470 1.00 0.32 O ATOM 0 H GLY A 87 9.044 2.774 -7.561 1.00 0.23 H new ATOM 0 HA2 GLY A 87 7.895 4.516 -5.647 1.00 0.26 H new ATOM 0 HA3 GLY A 87 8.376 4.907 -7.287 1.00 0.26 H new ATOM 812 N LYS A 88 6.015 3.545 -8.156 1.00 0.27 N ATOM 813 CA LYS A 88 4.642 3.411 -8.612 1.00 0.36 C ATOM 814 C LYS A 88 3.794 2.751 -7.527 1.00 0.33 C ATOM 815 O LYS A 88 2.708 3.233 -7.188 1.00 0.35 O ATOM 816 CB LYS A 88 4.602 2.577 -9.896 1.00 0.50 C ATOM 817 CG LYS A 88 5.369 3.209 -11.045 1.00 0.74 C ATOM 818 CD LYS A 88 4.713 4.494 -11.509 1.00 1.03 C ATOM 819 CE LYS A 88 3.477 4.217 -12.351 1.00 1.50 C ATOM 820 NZ LYS A 88 2.799 5.471 -12.764 1.00 1.89 N ATOM 0 H LYS A 88 6.693 3.031 -8.718 1.00 0.27 H new ATOM 0 HA LYS A 88 4.235 4.401 -8.820 1.00 0.36 H new ATOM 0 HB2 LYS A 88 5.014 1.589 -9.693 1.00 0.50 H new ATOM 0 HB3 LYS A 88 3.564 2.434 -10.196 1.00 0.50 H new ATOM 0 HG2 LYS A 88 6.393 3.414 -10.732 1.00 0.74 H new ATOM 0 HG3 LYS A 88 5.425 2.507 -11.877 1.00 0.74 H new ATOM 0 HD2 LYS A 88 4.437 5.096 -10.643 1.00 1.03 H new ATOM 0 HD3 LYS A 88 5.426 5.079 -12.090 1.00 1.03 H new ATOM 0 HE2 LYS A 88 3.761 3.648 -13.237 1.00 1.50 H new ATOM 0 HE3 LYS A 88 2.782 3.598 -11.784 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 1.962 5.241 -13.336 1.00 1.89 H new ATOM 0 HZ2 LYS A 88 2.506 6.002 -11.919 1.00 1.89 H new ATOM 0 HZ3 LYS A 88 3.454 6.051 -13.327 1.00 1.89 H new ATOM 834 N ILE A 89 4.320 1.657 -6.974 1.00 0.34 N ATOM 835 CA ILE A 89 3.641 0.918 -5.915 1.00 0.38 C ATOM 836 C ILE A 89 3.389 1.814 -4.710 1.00 0.30 C ATOM 837 O ILE A 89 2.286 1.831 -4.176 1.00 0.31 O ATOM 838 CB ILE A 89 4.448 -0.328 -5.456 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.677 -1.299 -6.620 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.731 -1.040 -4.314 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.420 -2.002 -7.098 1.00 0.71 C ATOM 0 H ILE A 89 5.221 1.263 -7.246 1.00 0.34 H new ATOM 0 HA ILE A 89 2.693 0.579 -6.333 1.00 0.38 H new ATOM 0 HB ILE A 89 5.420 0.017 -5.102 1.00 0.49 H new ATOM 0 HG12 ILE A 89 5.114 -0.751 -7.455 1.00 0.59 H new ATOM 0 HG13 ILE A 89 5.406 -2.049 -6.315 1.00 0.59 H new ATOM 0 HG21 ILE A 89 4.311 -1.910 -4.006 1.00 0.55 H new ATOM 0 HG22 ILE A 89 3.624 -0.358 -3.470 1.00 0.55 H new ATOM 0 HG23 ILE A 89 2.745 -1.362 -4.648 1.00 0.55 H new ATOM 0 HD11 ILE A 89 3.668 -2.670 -7.922 1.00 0.71 H new ATOM 0 HD12 ILE A 89 2.992 -2.580 -6.279 1.00 0.71 H new ATOM 0 HD13 ILE A 89 2.695 -1.261 -7.437 1.00 0.71 H new ATOM 853 N TRP A 90 4.405 2.563 -4.290 1.00 0.27 N ATOM 854 CA TRP A 90 4.267 3.436 -3.134 1.00 0.23 C ATOM 855 C TRP A 90 3.169 4.471 -3.361 1.00 0.26 C ATOM 856 O TRP A 90 2.312 4.668 -2.503 1.00 0.29 O ATOM 857 CB TRP A 90 5.591 4.136 -2.817 1.00 0.25 C ATOM 858 CG TRP A 90 5.513 4.989 -1.584 1.00 0.24 C ATOM 859 CD1 TRP A 90 5.133 6.299 -1.516 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.813 4.584 -0.244 1.00 0.23 C ATOM 861 NE1 TRP A 90 5.174 6.730 -0.215 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.591 5.698 0.587 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.251 3.388 0.336 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.785 5.649 1.963 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.445 3.340 1.702 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.214 4.468 2.504 1.00 0.33 C ATOM 0 H TRP A 90 5.325 2.582 -4.730 1.00 0.27 H new ATOM 0 HA TRP A 90 3.989 2.816 -2.282 1.00 0.23 H new ATOM 0 HB2 TRP A 90 6.372 3.387 -2.687 1.00 0.25 H new ATOM 0 HB3 TRP A 90 5.882 4.756 -3.665 1.00 0.25 H new ATOM 0 HD1 TRP A 90 4.843 6.905 -2.361 1.00 0.29 H new ATOM 0 HE1 TRP A 90 4.933 7.668 0.105 1.00 0.30 H new ATOM 0 HE3 TRP A 90 6.434 2.517 -0.275 1.00 0.26 H new ATOM 0 HZ2 TRP A 90 5.603 6.514 2.584 1.00 0.30 H new ATOM 0 HZ3 TRP A 90 6.779 2.421 2.160 1.00 0.32 H new ATOM 0 HH2 TRP A 90 6.378 4.403 3.569 1.00 0.33 H new ATOM 877 N LYS A 91 3.193 5.113 -4.525 1.00 0.30 N ATOM 878 CA LYS A 91 2.221 6.157 -4.849 1.00 0.41 C ATOM 879 C LYS A 91 0.795 5.597 -4.891 1.00 0.41 C ATOM 880 O LYS A 91 -0.179 6.334 -4.714 1.00 0.47 O ATOM 881 CB LYS A 91 2.568 6.806 -6.190 1.00 0.58 C ATOM 882 CG LYS A 91 1.812 8.101 -6.440 1.00 0.90 C ATOM 883 CD LYS A 91 2.030 8.625 -7.848 1.00 1.49 C ATOM 884 CE LYS A 91 3.493 8.940 -8.115 1.00 2.16 C ATOM 885 NZ LYS A 91 3.679 9.651 -9.408 1.00 2.70 N ATOM 0 H LYS A 91 3.875 4.930 -5.261 1.00 0.30 H new ATOM 0 HA LYS A 91 2.266 6.911 -4.063 1.00 0.41 H new ATOM 0 HB2 LYS A 91 3.639 7.005 -6.224 1.00 0.58 H new ATOM 0 HB3 LYS A 91 2.349 6.104 -6.994 1.00 0.58 H new ATOM 0 HG2 LYS A 91 0.747 7.937 -6.275 1.00 0.90 H new ATOM 0 HG3 LYS A 91 2.133 8.853 -5.720 1.00 0.90 H new ATOM 0 HD2 LYS A 91 1.680 7.886 -8.569 1.00 1.49 H new ATOM 0 HD3 LYS A 91 1.432 9.524 -7.998 1.00 1.49 H new ATOM 0 HE2 LYS A 91 3.887 9.552 -7.304 1.00 2.16 H new ATOM 0 HE3 LYS A 91 4.068 8.014 -8.123 1.00 2.16 H new ATOM 0 HZ1 LYS A 91 4.690 9.848 -9.554 1.00 2.70 H new ATOM 0 HZ2 LYS A 91 3.327 9.056 -10.185 1.00 2.70 H new ATOM 0 HZ3 LYS A 91 3.151 10.547 -9.391 1.00 2.70 H new ATOM 899 N LEU A 92 0.677 4.295 -5.135 1.00 0.40 N ATOM 900 CA LEU A 92 -0.629 3.648 -5.197 1.00 0.47 C ATOM 901 C LEU A 92 -1.028 3.058 -3.842 1.00 0.46 C ATOM 902 O LEU A 92 -2.210 2.965 -3.523 1.00 0.61 O ATOM 903 CB LEU A 92 -0.630 2.549 -6.264 1.00 0.54 C ATOM 904 CG LEU A 92 -0.370 3.032 -7.691 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.378 1.860 -8.654 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.399 4.076 -8.106 1.00 1.66 C ATOM 0 H LEU A 92 1.467 3.669 -5.292 1.00 0.40 H new ATOM 0 HA LEU A 92 -1.361 4.410 -5.464 1.00 0.47 H new ATOM 0 HB2 LEU A 92 0.128 1.810 -6.003 1.00 0.54 H new ATOM 0 HB3 LEU A 92 -1.594 2.040 -6.239 1.00 0.54 H new ATOM 0 HG LEU A 92 0.615 3.499 -7.721 1.00 0.97 H new ATOM 0 HD11 LEU A 92 -0.192 2.219 -9.666 1.00 1.51 H new ATOM 0 HD12 LEU A 92 0.401 1.151 -8.371 1.00 1.51 H new ATOM 0 HD13 LEU A 92 -1.349 1.366 -8.618 1.00 1.51 H new ATOM 0 HD21 LEU A 92 -1.193 4.405 -9.125 1.00 1.66 H new ATOM 0 HD22 LEU A 92 -2.397 3.641 -8.059 1.00 1.66 H new ATOM 0 HD23 LEU A 92 -1.343 4.930 -7.431 1.00 1.66 H new ATOM 918 N ALA A 93 -0.037 2.660 -3.052 1.00 0.37 N ATOM 919 CA ALA A 93 -0.292 2.030 -1.764 1.00 0.42 C ATOM 920 C ALA A 93 -0.475 3.068 -0.666 1.00 0.38 C ATOM 921 O ALA A 93 -1.344 2.923 0.195 1.00 0.43 O ATOM 922 CB ALA A 93 0.842 1.081 -1.410 1.00 0.47 C ATOM 0 H ALA A 93 0.951 2.763 -3.282 1.00 0.37 H new ATOM 0 HA ALA A 93 -1.219 1.462 -1.845 1.00 0.42 H new ATOM 0 HB1 ALA A 93 0.640 0.616 -0.445 1.00 0.47 H new ATOM 0 HB2 ALA A 93 0.922 0.309 -2.175 1.00 0.47 H new ATOM 0 HB3 ALA A 93 1.778 1.637 -1.356 1.00 0.47 H new ATOM 928 N ASP A 94 0.353 4.108 -0.690 1.00 0.33 N ATOM 929 CA ASP A 94 0.238 5.195 0.273 1.00 0.35 C ATOM 930 C ASP A 94 -0.802 6.190 -0.229 1.00 0.32 C ATOM 931 O ASP A 94 -0.474 7.229 -0.807 1.00 0.37 O ATOM 932 CB ASP A 94 1.594 5.882 0.506 1.00 0.37 C ATOM 933 CG ASP A 94 1.571 6.836 1.689 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.748 6.629 2.606 1.00 0.46 O ATOM 935 OD2 ASP A 94 2.382 7.787 1.719 1.00 0.79 O ATOM 0 H ASP A 94 1.109 4.220 -1.365 1.00 0.33 H new ATOM 0 HA ASP A 94 -0.081 4.790 1.234 1.00 0.35 H new ATOM 0 HB2 ASP A 94 2.358 5.122 0.671 1.00 0.37 H new ATOM 0 HB3 ASP A 94 1.878 6.430 -0.392 1.00 0.37 H new ATOM 940 N VAL A 95 -2.063 5.841 -0.026 1.00 0.35 N ATOM 941 CA VAL A 95 -3.182 6.579 -0.594 1.00 0.42 C ATOM 942 C VAL A 95 -3.295 7.965 0.027 1.00 0.50 C ATOM 943 O VAL A 95 -3.604 8.946 -0.658 1.00 0.61 O ATOM 944 CB VAL A 95 -4.512 5.816 -0.393 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.662 6.531 -1.089 1.00 0.59 C ATOM 946 CG2 VAL A 95 -4.388 4.385 -0.894 1.00 0.51 C ATOM 0 H VAL A 95 -2.340 5.037 0.538 1.00 0.35 H new ATOM 0 HA VAL A 95 -2.991 6.683 -1.662 1.00 0.42 H new ATOM 0 HB VAL A 95 -4.729 5.790 0.675 1.00 0.49 H new ATOM 0 HG11 VAL A 95 -6.585 5.974 -0.932 1.00 0.59 H new ATOM 0 HG12 VAL A 95 -5.769 7.534 -0.677 1.00 0.59 H new ATOM 0 HG13 VAL A 95 -5.456 6.598 -2.157 1.00 0.59 H new ATOM 0 HG21 VAL A 95 -5.334 3.864 -0.744 1.00 0.51 H new ATOM 0 HG22 VAL A 95 -4.141 4.391 -1.956 1.00 0.51 H new ATOM 0 HG23 VAL A 95 -3.600 3.873 -0.342 1.00 0.51 H new ATOM 956 N ASP A 96 -3.023 8.044 1.323 1.00 0.49 N ATOM 957 CA ASP A 96 -3.114 9.307 2.048 1.00 0.59 C ATOM 958 C ASP A 96 -1.834 10.126 1.883 1.00 0.53 C ATOM 959 O ASP A 96 -1.803 11.313 2.221 1.00 0.67 O ATOM 960 CB ASP A 96 -3.438 9.070 3.538 1.00 0.66 C ATOM 961 CG ASP A 96 -2.465 8.143 4.260 1.00 0.64 C ATOM 962 OD1 ASP A 96 -1.569 7.559 3.611 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.607 7.976 5.489 1.00 0.96 O ATOM 0 H ASP A 96 -2.737 7.249 1.895 1.00 0.49 H new ATOM 0 HA ASP A 96 -3.935 9.882 1.619 1.00 0.59 H new ATOM 0 HB2 ASP A 96 -3.451 10.032 4.051 1.00 0.66 H new ATOM 0 HB3 ASP A 96 -4.442 8.653 3.616 1.00 0.66 H new ATOM 968 N LYS A 97 -0.810 9.489 1.313 1.00 0.40 N ATOM 969 CA LYS A 97 0.490 10.119 1.072 1.00 0.43 C ATOM 970 C LYS A 97 1.029 10.756 2.348 1.00 0.37 C ATOM 971 O LYS A 97 1.031 11.983 2.492 1.00 0.54 O ATOM 972 CB LYS A 97 0.406 11.170 -0.040 1.00 0.65 C ATOM 973 CG LYS A 97 -0.072 10.633 -1.381 1.00 0.87 C ATOM 974 CD LYS A 97 -0.079 11.736 -2.426 1.00 1.21 C ATOM 975 CE LYS A 97 -0.757 11.301 -3.716 1.00 2.08 C ATOM 976 NZ LYS A 97 -0.879 12.431 -4.676 1.00 2.96 N ATOM 0 H LYS A 97 -0.859 8.518 1.004 1.00 0.40 H new ATOM 0 HA LYS A 97 1.176 9.335 0.751 1.00 0.43 H new ATOM 0 HB2 LYS A 97 -0.267 11.965 0.279 1.00 0.65 H new ATOM 0 HB3 LYS A 97 1.390 11.619 -0.173 1.00 0.65 H new ATOM 0 HG2 LYS A 97 0.578 9.820 -1.706 1.00 0.87 H new ATOM 0 HG3 LYS A 97 -1.074 10.217 -1.276 1.00 0.87 H new ATOM 0 HD2 LYS A 97 -0.591 12.611 -2.025 1.00 1.21 H new ATOM 0 HD3 LYS A 97 0.946 12.038 -2.640 1.00 1.21 H new ATOM 0 HE2 LYS A 97 -0.186 10.493 -4.174 1.00 2.08 H new ATOM 0 HE3 LYS A 97 -1.747 10.904 -3.492 1.00 2.08 H new ATOM 0 HZ1 LYS A 97 -1.346 12.100 -5.544 1.00 2.96 H new ATOM 0 HZ2 LYS A 97 -1.445 13.191 -4.247 1.00 2.96 H new ATOM 0 HZ3 LYS A 97 0.068 12.793 -4.908 1.00 2.96 H new ATOM 990 N ASP A 98 1.467 9.927 3.278 1.00 0.36 N ATOM 991 CA ASP A 98 1.941 10.418 4.562 1.00 0.37 C ATOM 992 C ASP A 98 3.328 9.875 4.866 1.00 0.36 C ATOM 993 O ASP A 98 3.852 10.059 5.963 1.00 0.41 O ATOM 994 CB ASP A 98 0.965 10.028 5.675 1.00 0.42 C ATOM 995 CG ASP A 98 0.936 8.531 5.955 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.601 7.744 5.037 1.00 0.37 O ATOM 997 OD2 ASP A 98 1.217 8.139 7.099 1.00 0.43 O ATOM 0 H ASP A 98 1.505 8.913 3.170 1.00 0.36 H new ATOM 0 HA ASP A 98 2.000 11.505 4.512 1.00 0.37 H new ATOM 0 HB2 ASP A 98 1.237 10.556 6.589 1.00 0.42 H new ATOM 0 HB3 ASP A 98 -0.037 10.359 5.402 1.00 0.42 H new ATOM 1002 N GLY A 99 3.930 9.231 3.873 1.00 0.35 N ATOM 1003 CA GLY A 99 5.279 8.719 4.030 1.00 0.41 C ATOM 1004 C GLY A 99 5.338 7.485 4.908 1.00 0.41 C ATOM 1005 O GLY A 99 6.416 6.936 5.143 1.00 0.44 O ATOM 0 H GLY A 99 3.508 9.054 2.961 1.00 0.35 H new ATOM 0 HA2 GLY A 99 5.690 8.482 3.049 1.00 0.41 H new ATOM 0 HA3 GLY A 99 5.910 9.496 4.460 1.00 0.41 H new ATOM 1009 N LEU A 100 4.184 7.056 5.387 1.00 0.46 N ATOM 1010 CA LEU A 100 4.088 5.883 6.227 1.00 0.48 C ATOM 1011 C LEU A 100 3.029 4.951 5.672 1.00 0.38 C ATOM 1012 O LEU A 100 2.041 5.389 5.075 1.00 0.40 O ATOM 1013 CB LEU A 100 3.733 6.269 7.667 1.00 0.61 C ATOM 1014 CG LEU A 100 4.726 7.199 8.360 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.172 7.663 9.696 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.066 6.506 8.556 1.00 0.88 C ATOM 0 H LEU A 100 3.290 7.512 5.203 1.00 0.46 H new ATOM 0 HA LEU A 100 5.055 5.381 6.235 1.00 0.48 H new ATOM 0 HB2 LEU A 100 2.753 6.747 7.666 1.00 0.61 H new ATOM 0 HB3 LEU A 100 3.642 5.357 8.258 1.00 0.61 H new ATOM 0 HG LEU A 100 4.880 8.070 7.724 1.00 0.60 H new ATOM 0 HD11 LEU A 100 4.891 8.325 10.178 1.00 1.11 H new ATOM 0 HD12 LEU A 100 3.236 8.199 9.536 1.00 1.11 H new ATOM 0 HD13 LEU A 100 3.990 6.799 10.335 1.00 1.11 H new ATOM 0 HD21 LEU A 100 6.759 7.187 9.051 1.00 0.88 H new ATOM 0 HD22 LEU A 100 5.929 5.616 9.171 1.00 0.88 H new ATOM 0 HD23 LEU A 100 6.472 6.218 7.586 1.00 0.88 H new ATOM 1028 N LEU A 101 3.243 3.666 5.848 1.00 0.35 N ATOM 1029 CA LEU A 101 2.268 2.685 5.428 1.00 0.31 C ATOM 1030 C LEU A 101 1.541 2.131 6.635 1.00 0.34 C ATOM 1031 O LEU A 101 2.163 1.564 7.535 1.00 0.42 O ATOM 1032 CB LEU A 101 2.927 1.545 4.647 1.00 0.33 C ATOM 1033 CG LEU A 101 3.509 1.931 3.285 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.056 0.704 2.575 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.458 2.615 2.421 1.00 0.30 C ATOM 0 H LEU A 101 4.082 3.277 6.278 1.00 0.35 H new ATOM 0 HA LEU A 101 1.554 3.178 4.768 1.00 0.31 H new ATOM 0 HB2 LEU A 101 3.725 1.123 5.258 1.00 0.33 H new ATOM 0 HB3 LEU A 101 2.190 0.756 4.497 1.00 0.33 H new ATOM 0 HG LEU A 101 4.326 2.633 3.452 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.466 0.996 1.608 1.00 0.39 H new ATOM 0 HD12 LEU A 101 4.842 0.253 3.181 1.00 0.39 H new ATOM 0 HD13 LEU A 101 3.253 -0.018 2.426 1.00 0.39 H new ATOM 0 HD21 LEU A 101 2.895 2.880 1.458 1.00 0.30 H new ATOM 0 HD22 LEU A 101 1.619 1.938 2.264 1.00 0.30 H new ATOM 0 HD23 LEU A 101 2.107 3.518 2.921 1.00 0.30 H new ATOM 1047 N ASP A 102 0.226 2.306 6.660 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.599 1.714 7.702 1.00 0.39 C ATOM 1049 C ASP A 102 -0.642 0.214 7.524 1.00 0.24 C ATOM 1050 O ASP A 102 -0.100 -0.317 6.555 1.00 0.20 O ATOM 1051 CB ASP A 102 -2.037 2.238 7.647 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.203 3.613 8.239 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.168 3.735 9.476 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.336 4.580 7.466 1.00 0.97 O ATOM 0 H ASP A 102 -0.291 2.853 5.971 1.00 0.33 H new ATOM 0 HA ASP A 102 -0.157 1.983 8.662 1.00 0.39 H new ATOM 0 HB2 ASP A 102 -2.368 2.257 6.609 1.00 0.57 H new ATOM 0 HB3 ASP A 102 -2.688 1.543 8.177 1.00 0.57 H new ATOM 1059 N ASP A 103 -1.307 -0.460 8.440 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.550 -1.884 8.303 1.00 0.29 C ATOM 1061 C ASP A 103 -2.282 -2.154 6.988 1.00 0.25 C ATOM 1062 O ASP A 103 -1.930 -3.069 6.240 1.00 0.28 O ATOM 1063 CB ASP A 103 -2.368 -2.379 9.493 1.00 0.45 C ATOM 1064 CG ASP A 103 -2.717 -3.847 9.389 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -1.871 -4.686 9.762 1.00 1.60 O ATOM 1066 OD2 ASP A 103 -3.830 -4.165 8.923 1.00 1.17 O ATOM 0 H ASP A 103 -1.690 -0.045 9.289 1.00 0.26 H new ATOM 0 HA ASP A 103 -0.602 -2.422 8.287 1.00 0.29 H new ATOM 0 HB2 ASP A 103 -1.807 -2.207 10.412 1.00 0.45 H new ATOM 0 HB3 ASP A 103 -3.286 -1.796 9.566 1.00 0.45 H new ATOM 1071 N GLU A 104 -3.269 -1.308 6.686 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.966 -1.367 5.403 1.00 0.28 C ATOM 1073 C GLU A 104 -3.012 -1.106 4.243 1.00 0.23 C ATOM 1074 O GLU A 104 -2.925 -1.903 3.311 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.104 -0.340 5.323 1.00 0.37 C ATOM 1076 CG GLU A 104 -6.412 -0.778 5.960 1.00 0.59 C ATOM 1077 CD GLU A 104 -6.461 -0.512 7.443 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.355 0.669 7.834 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -6.574 -1.487 8.215 1.00 1.66 O ATOM 0 H GLU A 104 -3.602 -0.575 7.313 1.00 0.26 H new ATOM 0 HA GLU A 104 -4.379 -2.373 5.329 1.00 0.28 H new ATOM 0 HB2 GLU A 104 -4.775 0.582 5.802 1.00 0.37 H new ATOM 0 HB3 GLU A 104 -5.289 -0.106 4.275 1.00 0.37 H new ATOM 0 HG2 GLU A 104 -7.238 -0.258 5.475 1.00 0.59 H new ATOM 0 HG3 GLU A 104 -6.558 -1.843 5.782 1.00 0.59 H new ATOM 1086 N GLU A 105 -2.289 0.005 4.304 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.515 0.460 3.155 1.00 0.24 C ATOM 1088 C GLU A 105 -0.363 -0.496 2.842 1.00 0.18 C ATOM 1089 O GLU A 105 -0.018 -0.702 1.674 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.991 1.887 3.378 1.00 0.33 C ATOM 1091 CG GLU A 105 -2.082 2.885 3.746 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.682 4.336 3.512 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.750 4.805 4.186 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -2.274 5.011 2.630 1.00 0.44 O ATOM 0 H GLU A 105 -2.222 0.603 5.128 1.00 0.22 H new ATOM 0 HA GLU A 105 -2.182 0.470 2.293 1.00 0.24 H new ATOM 0 HB2 GLU A 105 -0.242 1.871 4.170 1.00 0.33 H new ATOM 0 HB3 GLU A 105 -0.489 2.227 2.472 1.00 0.33 H new ATOM 0 HG2 GLU A 105 -2.977 2.665 3.164 1.00 0.33 H new ATOM 0 HG3 GLU A 105 -2.345 2.754 4.796 1.00 0.33 H new ATOM 1101 N PHE A 106 0.221 -1.092 3.874 1.00 0.18 N ATOM 1102 CA PHE A 106 1.273 -2.078 3.668 1.00 0.17 C ATOM 1103 C PHE A 106 0.681 -3.356 3.100 1.00 0.18 C ATOM 1104 O PHE A 106 1.265 -3.972 2.212 1.00 0.23 O ATOM 1105 CB PHE A 106 2.025 -2.382 4.964 1.00 0.18 C ATOM 1106 CG PHE A 106 3.087 -3.438 4.801 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.257 -3.164 4.108 1.00 0.35 C ATOM 1108 CD2 PHE A 106 2.916 -4.702 5.344 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.232 -4.132 3.960 1.00 0.42 C ATOM 1110 CE2 PHE A 106 3.890 -5.672 5.197 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.044 -5.390 4.496 1.00 0.42 C ATOM 0 H PHE A 106 -0.012 -0.913 4.851 1.00 0.18 H new ATOM 0 HA PHE A 106 1.988 -1.659 2.959 1.00 0.17 H new ATOM 0 HB2 PHE A 106 2.487 -1.466 5.332 1.00 0.18 H new ATOM 0 HB3 PHE A 106 1.312 -2.707 5.722 1.00 0.18 H new ATOM 0 HD1 PHE A 106 4.407 -2.184 3.680 1.00 0.35 H new ATOM 0 HD2 PHE A 106 2.012 -4.932 5.888 1.00 0.33 H new ATOM 0 HE1 PHE A 106 6.142 -3.904 3.425 1.00 0.42 H new ATOM 0 HE2 PHE A 106 3.747 -6.651 5.631 1.00 0.42 H new ATOM 0 HZ PHE A 106 5.799 -6.152 4.367 1.00 0.42 H new ATOM 1121 N ALA A 107 -0.485 -3.746 3.615 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.201 -4.900 3.095 1.00 0.19 C ATOM 1123 C ALA A 107 -1.485 -4.723 1.606 1.00 0.18 C ATOM 1124 O ALA A 107 -1.315 -5.649 0.811 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.500 -5.115 3.863 1.00 0.21 C ATOM 0 H ALA A 107 -0.950 -3.276 4.392 1.00 0.18 H new ATOM 0 HA ALA A 107 -0.574 -5.782 3.226 1.00 0.19 H new ATOM 0 HB1 ALA A 107 -3.022 -5.983 3.460 1.00 0.21 H new ATOM 0 HB2 ALA A 107 -2.276 -5.283 4.916 1.00 0.21 H new ATOM 0 HB3 ALA A 107 -3.132 -4.233 3.763 1.00 0.21 H new ATOM 1131 N LEU A 108 -1.905 -3.515 1.243 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.187 -3.175 -0.147 1.00 0.19 C ATOM 1133 C LEU A 108 -0.929 -3.350 -0.993 1.00 0.20 C ATOM 1134 O LEU A 108 -0.956 -4.023 -2.029 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.711 -1.731 -0.234 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.405 -1.341 -1.547 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.209 -0.070 -1.353 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -2.403 -1.132 -2.672 1.00 1.14 C ATOM 0 H LEU A 108 -2.059 -2.749 1.899 1.00 0.17 H new ATOM 0 HA LEU A 108 -2.955 -3.845 -0.535 1.00 0.19 H new ATOM 0 HB2 LEU A 108 -3.412 -1.571 0.585 1.00 0.23 H new ATOM 0 HB3 LEU A 108 -1.873 -1.052 -0.074 1.00 0.23 H new ATOM 0 HG LEU A 108 -4.066 -2.162 -1.824 1.00 0.32 H new ATOM 0 HD11 LEU A 108 -4.697 0.198 -2.290 1.00 1.33 H new ATOM 0 HD12 LEU A 108 -4.964 -0.231 -0.583 1.00 1.33 H new ATOM 0 HD13 LEU A 108 -3.544 0.738 -1.046 1.00 1.33 H new ATOM 0 HD21 LEU A 108 -2.932 -0.857 -3.584 1.00 1.14 H new ATOM 0 HD22 LEU A 108 -1.711 -0.335 -2.400 1.00 1.14 H new ATOM 0 HD23 LEU A 108 -1.846 -2.054 -2.839 1.00 1.14 H new ATOM 1150 N ALA A 109 0.173 -2.759 -0.534 1.00 0.23 N ATOM 1151 CA ALA A 109 1.452 -2.858 -1.235 1.00 0.28 C ATOM 1152 C ALA A 109 1.870 -4.313 -1.396 1.00 0.29 C ATOM 1153 O ALA A 109 2.282 -4.732 -2.474 1.00 0.32 O ATOM 1154 CB ALA A 109 2.532 -2.083 -0.490 1.00 0.32 C ATOM 0 H ALA A 109 0.206 -2.205 0.322 1.00 0.23 H new ATOM 0 HA ALA A 109 1.327 -2.422 -2.226 1.00 0.28 H new ATOM 0 HB1 ALA A 109 3.477 -2.168 -1.027 1.00 0.32 H new ATOM 0 HB2 ALA A 109 2.246 -1.033 -0.423 1.00 0.32 H new ATOM 0 HB3 ALA A 109 2.647 -2.492 0.514 1.00 0.32 H new ATOM 1160 N ASN A 110 1.743 -5.079 -0.318 1.00 0.30 N ATOM 1161 CA ASN A 110 2.110 -6.489 -0.324 1.00 0.33 C ATOM 1162 C ASN A 110 1.243 -7.267 -1.309 1.00 0.33 C ATOM 1163 O ASN A 110 1.703 -8.211 -1.951 1.00 0.39 O ATOM 1164 CB ASN A 110 1.958 -7.076 1.082 1.00 0.36 C ATOM 1165 CG ASN A 110 3.214 -7.786 1.567 1.00 0.58 C ATOM 1166 OD1 ASN A 110 4.377 -7.235 1.249 1.00 1.20 O flip ATOM 1167 ND2 ASN A 110 3.137 -8.802 2.254 1.00 0.71 N flip ATOM 0 H ASN A 110 1.386 -4.743 0.577 1.00 0.30 H new ATOM 0 HA ASN A 110 3.151 -6.573 -0.637 1.00 0.33 H new ATOM 0 HB2 ASN A 110 1.707 -6.276 1.779 1.00 0.36 H new ATOM 0 HB3 ASN A 110 1.124 -7.778 1.089 1.00 0.36 H new ATOM 0 HD21 ASN A 110 2.224 -9.198 2.479 1.00 0.71 H new ATOM 0 HD22 ASN A 110 3.986 -9.250 2.600 1.00 0.71 H new ATOM 1174 N HIS A 111 -0.013 -6.853 -1.439 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.939 -7.511 -2.354 1.00 0.30 C ATOM 1176 C HIS A 111 -0.547 -7.226 -3.803 1.00 0.33 C ATOM 1177 O HIS A 111 -0.683 -8.086 -4.675 1.00 0.46 O ATOM 1178 CB HIS A 111 -2.380 -7.055 -2.100 1.00 0.26 C ATOM 1179 CG HIS A 111 -3.397 -8.120 -2.375 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -3.912 -8.937 -1.391 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -3.999 -8.499 -3.526 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -4.785 -9.771 -1.927 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.856 -9.527 -3.220 1.00 0.45 N ATOM 0 H HIS A 111 -0.412 -6.068 -0.925 1.00 0.29 H new ATOM 0 HA HIS A 111 -0.883 -8.585 -2.176 1.00 0.30 H new ATOM 0 HB2 HIS A 111 -2.474 -6.732 -1.063 1.00 0.26 H new ATOM 0 HB3 HIS A 111 -2.595 -6.188 -2.725 1.00 0.26 H new ATOM 0 HD2 HIS A 111 -3.836 -8.072 -4.504 1.00 0.36 H new ATOM 0 HE1 HIS A 111 -5.346 -10.525 -1.395 1.00 0.52 H new ATOM 0 HE2 HIS A 111 -5.451 -10.021 -3.885 1.00 0.45 H new ATOM 1192 N LEU A 112 -0.056 -6.016 -4.050 1.00 0.27 N ATOM 1193 CA LEU A 112 0.425 -5.639 -5.376 1.00 0.32 C ATOM 1194 C LEU A 112 1.697 -6.408 -5.709 1.00 0.36 C ATOM 1195 O LEU A 112 1.882 -6.867 -6.839 1.00 0.40 O ATOM 1196 CB LEU A 112 0.681 -4.130 -5.455 1.00 0.36 C ATOM 1197 CG LEU A 112 -0.565 -3.244 -5.397 1.00 0.43 C ATOM 1198 CD1 LEU A 112 -0.170 -1.782 -5.531 1.00 0.55 C ATOM 1199 CD2 LEU A 112 -1.554 -3.638 -6.488 1.00 0.52 C ATOM 0 H LEU A 112 0.020 -5.279 -3.349 1.00 0.27 H new ATOM 0 HA LEU A 112 -0.344 -5.892 -6.106 1.00 0.32 H new ATOM 0 HB2 LEU A 112 1.343 -3.849 -4.636 1.00 0.36 H new ATOM 0 HB3 LEU A 112 1.213 -3.918 -6.383 1.00 0.36 H new ATOM 0 HG LEU A 112 -1.052 -3.386 -4.432 1.00 0.43 H new ATOM 0 HD11 LEU A 112 -1.063 -1.158 -5.489 1.00 0.55 H new ATOM 0 HD12 LEU A 112 0.501 -1.510 -4.716 1.00 0.55 H new ATOM 0 HD13 LEU A 112 0.335 -1.628 -6.484 1.00 0.55 H new ATOM 0 HD21 LEU A 112 -2.434 -2.997 -6.431 1.00 0.52 H new ATOM 0 HD22 LEU A 112 -1.084 -3.522 -7.464 1.00 0.52 H new ATOM 0 HD23 LEU A 112 -1.853 -4.677 -6.350 1.00 0.52 H new ATOM 1211 N ILE A 113 2.568 -6.555 -4.711 1.00 0.39 N ATOM 1212 CA ILE A 113 3.769 -7.367 -4.855 1.00 0.49 C ATOM 1213 C ILE A 113 3.382 -8.790 -5.241 1.00 0.54 C ATOM 1214 O ILE A 113 4.001 -9.406 -6.109 1.00 0.60 O ATOM 1215 CB ILE A 113 4.593 -7.400 -3.546 1.00 0.55 C ATOM 1216 CG1 ILE A 113 5.065 -5.990 -3.175 1.00 0.57 C ATOM 1217 CG2 ILE A 113 5.780 -8.345 -3.676 1.00 0.73 C ATOM 1218 CD1 ILE A 113 5.863 -5.933 -1.889 1.00 0.84 C ATOM 0 H ILE A 113 2.461 -6.121 -3.794 1.00 0.39 H new ATOM 0 HA ILE A 113 4.384 -6.919 -5.635 1.00 0.49 H new ATOM 0 HB ILE A 113 3.950 -7.772 -2.748 1.00 0.55 H new ATOM 0 HG12 ILE A 113 5.674 -5.595 -3.988 1.00 0.57 H new ATOM 0 HG13 ILE A 113 4.196 -5.338 -3.082 1.00 0.57 H new ATOM 0 HG21 ILE A 113 6.344 -8.351 -2.743 1.00 0.73 H new ATOM 0 HG22 ILE A 113 5.422 -9.352 -3.890 1.00 0.73 H new ATOM 0 HG23 ILE A 113 6.425 -8.009 -4.488 1.00 0.73 H new ATOM 0 HD11 ILE A 113 6.162 -4.904 -1.692 1.00 0.84 H new ATOM 0 HD12 ILE A 113 5.250 -6.297 -1.064 1.00 0.84 H new ATOM 0 HD13 ILE A 113 6.751 -6.557 -1.984 1.00 0.84 H new ATOM 1230 N LYS A 114 2.333 -9.290 -4.597 1.00 0.56 N ATOM 1231 CA LYS A 114 1.808 -10.617 -4.898 1.00 0.70 C ATOM 1232 C LYS A 114 1.410 -10.714 -6.362 1.00 0.66 C ATOM 1233 O LYS A 114 1.796 -11.650 -7.043 1.00 0.68 O ATOM 1234 CB LYS A 114 0.612 -10.938 -4.003 1.00 0.86 C ATOM 1235 CG LYS A 114 0.891 -12.045 -3.003 1.00 1.54 C ATOM 1236 CD LYS A 114 0.946 -13.410 -3.676 1.00 2.03 C ATOM 1237 CE LYS A 114 -0.444 -13.919 -4.017 1.00 2.96 C ATOM 1238 NZ LYS A 114 -0.422 -15.297 -4.581 1.00 3.83 N ATOM 0 H LYS A 114 1.828 -8.795 -3.862 1.00 0.56 H new ATOM 0 HA LYS A 114 2.594 -11.347 -4.702 1.00 0.70 H new ATOM 0 HB2 LYS A 114 0.318 -10.037 -3.465 1.00 0.86 H new ATOM 0 HB3 LYS A 114 -0.233 -11.227 -4.628 1.00 0.86 H new ATOM 0 HG2 LYS A 114 1.837 -11.850 -2.498 1.00 1.54 H new ATOM 0 HG3 LYS A 114 0.116 -12.048 -2.237 1.00 1.54 H new ATOM 0 HD2 LYS A 114 1.544 -13.345 -4.585 1.00 2.03 H new ATOM 0 HD3 LYS A 114 1.444 -14.122 -3.017 1.00 2.03 H new ATOM 0 HE2 LYS A 114 -1.063 -13.907 -3.120 1.00 2.96 H new ATOM 0 HE3 LYS A 114 -0.909 -13.243 -4.734 1.00 2.96 H new ATOM 0 HZ1 LYS A 114 -1.364 -15.535 -4.953 1.00 3.83 H new ATOM 0 HZ2 LYS A 114 0.277 -15.346 -5.350 1.00 3.83 H new ATOM 0 HZ3 LYS A 114 -0.164 -15.974 -3.835 1.00 3.83 H new ATOM 1252 N VAL A 115 0.652 -9.733 -6.832 1.00 0.64 N ATOM 1253 CA VAL A 115 0.235 -9.669 -8.236 1.00 0.70 C ATOM 1254 C VAL A 115 1.433 -9.755 -9.184 1.00 0.71 C ATOM 1255 O VAL A 115 1.377 -10.433 -10.214 1.00 0.82 O ATOM 1256 CB VAL A 115 -0.561 -8.371 -8.526 1.00 0.80 C ATOM 1257 CG1 VAL A 115 -0.819 -8.198 -10.016 1.00 1.19 C ATOM 1258 CG2 VAL A 115 -1.877 -8.376 -7.771 1.00 1.07 C ATOM 0 H VAL A 115 0.308 -8.962 -6.260 1.00 0.64 H new ATOM 0 HA VAL A 115 -0.411 -10.529 -8.412 1.00 0.70 H new ATOM 0 HB VAL A 115 0.044 -7.531 -8.186 1.00 0.80 H new ATOM 0 HG11 VAL A 115 -1.379 -7.278 -10.184 1.00 1.19 H new ATOM 0 HG12 VAL A 115 0.132 -8.146 -10.546 1.00 1.19 H new ATOM 0 HG13 VAL A 115 -1.395 -9.046 -10.386 1.00 1.19 H new ATOM 0 HG21 VAL A 115 -2.423 -7.458 -7.986 1.00 1.07 H new ATOM 0 HG22 VAL A 115 -2.472 -9.234 -8.083 1.00 1.07 H new ATOM 0 HG23 VAL A 115 -1.682 -8.440 -6.700 1.00 1.07 H new ATOM 1268 N LYS A 116 2.518 -9.079 -8.835 1.00 0.65 N ATOM 1269 CA LYS A 116 3.723 -9.117 -9.650 1.00 0.73 C ATOM 1270 C LYS A 116 4.408 -10.479 -9.588 1.00 0.76 C ATOM 1271 O LYS A 116 4.999 -10.927 -10.569 1.00 0.90 O ATOM 1272 CB LYS A 116 4.693 -8.014 -9.238 1.00 0.72 C ATOM 1273 CG LYS A 116 4.489 -6.720 -10.008 1.00 0.95 C ATOM 1274 CD LYS A 116 4.711 -6.944 -11.497 1.00 0.93 C ATOM 1275 CE LYS A 116 4.660 -5.647 -12.283 1.00 1.06 C ATOM 1276 NZ LYS A 116 5.020 -5.859 -13.712 1.00 1.32 N ATOM 0 H LYS A 116 2.589 -8.501 -7.998 1.00 0.65 H new ATOM 0 HA LYS A 116 3.419 -8.947 -10.683 1.00 0.73 H new ATOM 0 HB2 LYS A 116 4.578 -7.817 -8.172 1.00 0.72 H new ATOM 0 HB3 LYS A 116 5.715 -8.362 -9.389 1.00 0.72 H new ATOM 0 HG2 LYS A 116 3.480 -6.344 -9.837 1.00 0.95 H new ATOM 0 HG3 LYS A 116 5.179 -5.960 -9.642 1.00 0.95 H new ATOM 0 HD2 LYS A 116 5.678 -7.423 -11.651 1.00 0.93 H new ATOM 0 HD3 LYS A 116 3.952 -7.628 -11.877 1.00 0.93 H new ATOM 0 HE2 LYS A 116 3.659 -5.221 -12.219 1.00 1.06 H new ATOM 0 HE3 LYS A 116 5.344 -4.924 -11.838 1.00 1.06 H new ATOM 0 HZ1 LYS A 116 4.926 -4.962 -14.230 1.00 1.32 H new ATOM 0 HZ2 LYS A 116 6.002 -6.195 -13.776 1.00 1.32 H new ATOM 0 HZ3 LYS A 116 4.384 -6.568 -14.129 1.00 1.32 H new ATOM 1290 N LEU A 117 4.327 -11.138 -8.439 1.00 0.67 N ATOM 1291 CA LEU A 117 4.860 -12.491 -8.298 1.00 0.74 C ATOM 1292 C LEU A 117 3.986 -13.480 -9.063 1.00 0.78 C ATOM 1293 O LEU A 117 4.464 -14.504 -9.560 1.00 0.85 O ATOM 1294 CB LEU A 117 4.930 -12.887 -6.822 1.00 0.74 C ATOM 1295 CG LEU A 117 5.851 -12.022 -5.956 1.00 0.79 C ATOM 1296 CD1 LEU A 117 5.799 -12.466 -4.502 1.00 0.90 C ATOM 1297 CD2 LEU A 117 7.281 -12.074 -6.473 1.00 0.96 C ATOM 0 H LEU A 117 3.899 -10.761 -7.593 1.00 0.67 H new ATOM 0 HA LEU A 117 5.868 -12.512 -8.713 1.00 0.74 H new ATOM 0 HB2 LEU A 117 3.924 -12.849 -6.404 1.00 0.74 H new ATOM 0 HB3 LEU A 117 5.263 -13.923 -6.756 1.00 0.74 H new ATOM 0 HG LEU A 117 5.499 -10.992 -6.015 1.00 0.79 H new ATOM 0 HD11 LEU A 117 6.461 -11.838 -3.906 1.00 0.90 H new ATOM 0 HD12 LEU A 117 4.779 -12.374 -4.130 1.00 0.90 H new ATOM 0 HD13 LEU A 117 6.120 -13.505 -4.427 1.00 0.90 H new ATOM 0 HD21 LEU A 117 7.918 -11.453 -5.844 1.00 0.96 H new ATOM 0 HD22 LEU A 117 7.639 -13.103 -6.449 1.00 0.96 H new ATOM 0 HD23 LEU A 117 7.311 -11.703 -7.498 1.00 0.96 H new ATOM 1309 N GLU A 118 2.703 -13.156 -9.148 1.00 0.78 N ATOM 1310 CA GLU A 118 1.747 -13.944 -9.912 1.00 0.90 C ATOM 1311 C GLU A 118 2.054 -13.841 -11.402 1.00 1.00 C ATOM 1312 O GLU A 118 1.735 -14.737 -12.183 1.00 1.17 O ATOM 1313 CB GLU A 118 0.323 -13.437 -9.662 1.00 0.95 C ATOM 1314 CG GLU A 118 -0.131 -13.514 -8.219 1.00 1.31 C ATOM 1315 CD GLU A 118 -0.272 -14.931 -7.726 1.00 1.52 C ATOM 1316 OE1 GLU A 118 -1.313 -15.553 -8.019 1.00 1.90 O ATOM 1317 OE2 GLU A 118 0.634 -15.412 -7.015 1.00 2.18 O ATOM 0 H GLU A 118 2.296 -12.340 -8.690 1.00 0.78 H new ATOM 0 HA GLU A 118 1.826 -14.983 -9.592 1.00 0.90 H new ATOM 0 HB2 GLU A 118 0.257 -12.401 -9.995 1.00 0.95 H new ATOM 0 HB3 GLU A 118 -0.367 -14.014 -10.277 1.00 0.95 H new ATOM 0 HG2 GLU A 118 0.584 -12.984 -7.589 1.00 1.31 H new ATOM 0 HG3 GLU A 118 -1.087 -13.001 -8.116 1.00 1.31 H new ATOM 1324 N GLY A 119 2.686 -12.743 -11.785 1.00 0.95 N ATOM 1325 CA GLY A 119 2.965 -12.504 -13.185 1.00 1.06 C ATOM 1326 C GLY A 119 1.864 -11.708 -13.853 1.00 1.06 C ATOM 1327 O GLY A 119 1.528 -11.944 -15.013 1.00 1.16 O ATOM 0 H GLY A 119 3.011 -12.013 -11.151 1.00 0.95 H new ATOM 0 HA2 GLY A 119 3.909 -11.968 -13.280 1.00 1.06 H new ATOM 0 HA3 GLY A 119 3.086 -13.458 -13.699 1.00 1.06 H new ATOM 1331 N HIS A 120 1.270 -10.782 -13.107 1.00 0.96 N ATOM 1332 CA HIS A 120 0.226 -9.923 -13.655 1.00 0.97 C ATOM 1333 C HIS A 120 0.656 -8.465 -13.569 1.00 0.94 C ATOM 1334 O HIS A 120 1.588 -8.127 -12.839 1.00 0.95 O ATOM 1335 CB HIS A 120 -1.110 -10.122 -12.924 1.00 0.94 C ATOM 1336 CG HIS A 120 -1.644 -11.522 -12.999 1.00 1.40 C ATOM 1337 ND1 HIS A 120 -1.703 -12.491 -12.057 1.00 1.80 N flip ATOM 1338 CD2 HIS A 120 -2.195 -12.071 -14.137 1.00 1.83 C flip ATOM 1339 CE1 HIS A 120 -2.277 -13.595 -12.634 1.00 2.36 C flip ATOM 1340 NE2 HIS A 120 -2.568 -13.315 -13.889 1.00 2.42 N flip ATOM 0 H HIS A 120 1.492 -10.608 -12.127 1.00 0.96 H new ATOM 0 HA HIS A 120 0.079 -10.198 -14.699 1.00 0.97 H new ATOM 0 HB2 HIS A 120 -0.984 -9.848 -11.877 1.00 0.94 H new ATOM 0 HB3 HIS A 120 -1.848 -9.439 -13.345 1.00 0.94 H new ATOM 0 HD2 HIS A 120 -2.305 -11.564 -15.084 1.00 1.83 H new ATOM 0 HE1 HIS A 120 -2.460 -14.538 -12.141 1.00 2.36 H new ATOM 0 HE2 HIS A 120 -3.007 -13.950 -14.556 1.00 2.42 H new ATOM 1349 N GLU A 121 -0.035 -7.607 -14.296 1.00 1.03 N ATOM 1350 CA GLU A 121 0.345 -6.211 -14.391 1.00 1.05 C ATOM 1351 C GLU A 121 -0.663 -5.325 -13.676 1.00 0.98 C ATOM 1352 O GLU A 121 -1.790 -5.740 -13.405 1.00 1.14 O ATOM 1353 CB GLU A 121 0.445 -5.787 -15.860 1.00 1.25 C ATOM 1354 CG GLU A 121 1.538 -6.498 -16.640 1.00 1.61 C ATOM 1355 CD GLU A 121 2.915 -6.253 -16.060 1.00 1.79 C ATOM 1356 OE1 GLU A 121 3.445 -5.137 -16.224 1.00 1.77 O ATOM 1357 OE2 GLU A 121 3.472 -7.169 -15.428 1.00 2.53 O ATOM 0 H GLU A 121 -0.867 -7.855 -14.832 1.00 1.03 H new ATOM 0 HA GLU A 121 1.317 -6.094 -13.913 1.00 1.05 H new ATOM 0 HB2 GLU A 121 -0.513 -5.973 -16.346 1.00 1.25 H new ATOM 0 HB3 GLU A 121 0.622 -4.712 -15.905 1.00 1.25 H new ATOM 0 HG2 GLU A 121 1.336 -7.569 -16.649 1.00 1.61 H new ATOM 0 HG3 GLU A 121 1.518 -6.161 -17.677 1.00 1.61 H new ATOM 1364 N LEU A 122 -0.246 -4.106 -13.374 1.00 0.90 N ATOM 1365 CA LEU A 122 -1.122 -3.124 -12.762 1.00 0.87 C ATOM 1366 C LEU A 122 -1.138 -1.857 -13.611 1.00 0.93 C ATOM 1367 O LEU A 122 -0.091 -1.395 -14.058 1.00 1.02 O ATOM 1368 CB LEU A 122 -0.688 -2.798 -11.322 1.00 0.89 C ATOM 1369 CG LEU A 122 0.724 -2.214 -11.144 1.00 1.05 C ATOM 1370 CD1 LEU A 122 0.838 -1.525 -9.791 1.00 1.33 C ATOM 1371 CD2 LEU A 122 1.785 -3.304 -11.259 1.00 1.16 C ATOM 0 H LEU A 122 0.703 -3.772 -13.545 1.00 0.90 H new ATOM 0 HA LEU A 122 -2.127 -3.544 -12.713 1.00 0.87 H new ATOM 0 HB2 LEU A 122 -1.404 -2.092 -10.902 1.00 0.89 H new ATOM 0 HB3 LEU A 122 -0.756 -3.711 -10.731 1.00 0.89 H new ATOM 0 HG LEU A 122 0.892 -1.485 -11.937 1.00 1.05 H new ATOM 0 HD11 LEU A 122 1.841 -1.115 -9.675 1.00 1.33 H new ATOM 0 HD12 LEU A 122 0.107 -0.719 -9.731 1.00 1.33 H new ATOM 0 HD13 LEU A 122 0.647 -2.248 -8.998 1.00 1.33 H new ATOM 0 HD21 LEU A 122 2.774 -2.864 -11.129 1.00 1.16 H new ATOM 0 HD22 LEU A 122 1.619 -4.057 -10.488 1.00 1.16 H new ATOM 0 HD23 LEU A 122 1.722 -3.771 -12.242 1.00 1.16 H new ATOM 1383 N PRO A 123 -2.328 -1.288 -13.845 1.00 0.97 N ATOM 1384 CA PRO A 123 -2.496 -0.123 -14.725 1.00 1.06 C ATOM 1385 C PRO A 123 -2.007 1.187 -14.105 1.00 1.07 C ATOM 1386 O PRO A 123 -2.060 2.236 -14.744 1.00 1.18 O ATOM 1387 CB PRO A 123 -4.009 -0.066 -14.934 1.00 1.18 C ATOM 1388 CG PRO A 123 -4.583 -0.685 -13.705 1.00 1.33 C ATOM 1389 CD PRO A 123 -3.609 -1.745 -13.273 1.00 1.02 C ATOM 0 HA PRO A 123 -1.911 -0.229 -15.638 1.00 1.06 H new ATOM 0 HB2 PRO A 123 -4.353 0.961 -15.058 1.00 1.18 H new ATOM 0 HB3 PRO A 123 -4.306 -0.613 -15.829 1.00 1.18 H new ATOM 0 HG2 PRO A 123 -4.719 0.060 -12.921 1.00 1.33 H new ATOM 0 HG3 PRO A 123 -5.563 -1.117 -13.908 1.00 1.33 H new ATOM 0 HD2 PRO A 123 -3.558 -1.825 -12.187 1.00 1.02 H new ATOM 0 HD3 PRO A 123 -3.890 -2.727 -13.652 1.00 1.02 H new ATOM 1397 N ALA A 124 -1.536 1.110 -12.859 1.00 1.00 N ATOM 1398 CA ALA A 124 -1.113 2.285 -12.090 1.00 1.07 C ATOM 1399 C ALA A 124 -2.314 3.155 -11.726 1.00 1.11 C ATOM 1400 O ALA A 124 -2.170 4.322 -11.368 1.00 1.25 O ATOM 1401 CB ALA A 124 -0.058 3.090 -12.838 1.00 1.23 C ATOM 0 H ALA A 124 -1.436 0.230 -12.353 1.00 1.00 H new ATOM 0 HA ALA A 124 -0.658 1.931 -11.165 1.00 1.07 H new ATOM 0 HB1 ALA A 124 0.233 3.953 -12.240 1.00 1.23 H new ATOM 0 HB2 ALA A 124 0.816 2.464 -13.020 1.00 1.23 H new ATOM 0 HB3 ALA A 124 -0.466 3.429 -13.790 1.00 1.23 H new ATOM 1407 N ASP A 125 -3.494 2.553 -11.794 1.00 1.06 N ATOM 1408 CA ASP A 125 -4.726 3.201 -11.375 1.00 1.15 C ATOM 1409 C ASP A 125 -5.333 2.423 -10.224 1.00 1.07 C ATOM 1410 O ASP A 125 -5.058 1.233 -10.062 1.00 1.04 O ATOM 1411 CB ASP A 125 -5.729 3.297 -12.531 1.00 1.24 C ATOM 1412 CG ASP A 125 -5.485 4.506 -13.414 1.00 1.94 C ATOM 1413 OD1 ASP A 125 -4.670 4.402 -14.359 1.00 2.11 O ATOM 1414 OD2 ASP A 125 -6.090 5.570 -13.169 1.00 2.73 O ATOM 0 H ASP A 125 -3.622 1.602 -12.141 1.00 1.06 H new ATOM 0 HA ASP A 125 -4.492 4.216 -11.055 1.00 1.15 H new ATOM 0 HB2 ASP A 125 -5.669 2.392 -13.135 1.00 1.24 H new ATOM 0 HB3 ASP A 125 -6.740 3.344 -12.127 1.00 1.24 H new ATOM 1419 N LEU A 126 -6.151 3.086 -9.423 1.00 1.07 N ATOM 1420 CA LEU A 126 -6.738 2.458 -8.247 1.00 1.02 C ATOM 1421 C LEU A 126 -8.231 2.207 -8.430 1.00 1.10 C ATOM 1422 O LEU A 126 -9.033 3.140 -8.403 1.00 1.20 O ATOM 1423 CB LEU A 126 -6.505 3.319 -7.005 1.00 1.00 C ATOM 1424 CG LEU A 126 -5.039 3.475 -6.592 1.00 0.91 C ATOM 1425 CD1 LEU A 126 -4.913 4.374 -5.372 1.00 1.17 C ATOM 1426 CD2 LEU A 126 -4.420 2.113 -6.313 1.00 1.66 C ATOM 0 H LEU A 126 -6.425 4.058 -9.564 1.00 1.07 H new ATOM 0 HA LEU A 126 -6.246 1.495 -8.113 1.00 1.02 H new ATOM 0 HB2 LEU A 126 -6.924 4.309 -7.184 1.00 1.00 H new ATOM 0 HB3 LEU A 126 -7.058 2.885 -6.172 1.00 1.00 H new ATOM 0 HG LEU A 126 -4.500 3.942 -7.416 1.00 0.91 H new ATOM 0 HD11 LEU A 126 -3.862 4.470 -5.098 1.00 1.17 H new ATOM 0 HD12 LEU A 126 -5.319 5.359 -5.602 1.00 1.17 H new ATOM 0 HD13 LEU A 126 -5.467 3.939 -4.540 1.00 1.17 H new ATOM 0 HD21 LEU A 126 -3.378 2.240 -6.021 1.00 1.66 H new ATOM 0 HD22 LEU A 126 -4.966 1.623 -5.507 1.00 1.66 H new ATOM 0 HD23 LEU A 126 -4.472 1.499 -7.212 1.00 1.66 H new ATOM 1438 N PRO A 127 -8.609 0.939 -8.666 1.00 1.08 N ATOM 1439 CA PRO A 127 -10.012 0.516 -8.694 1.00 1.16 C ATOM 1440 C PRO A 127 -10.744 0.894 -7.407 1.00 1.08 C ATOM 1441 O PRO A 127 -10.160 0.867 -6.319 1.00 0.96 O ATOM 1442 CB PRO A 127 -9.930 -1.008 -8.827 1.00 1.17 C ATOM 1443 CG PRO A 127 -8.600 -1.267 -9.446 1.00 1.11 C ATOM 1444 CD PRO A 127 -7.691 -0.171 -8.962 1.00 1.03 C ATOM 0 HA PRO A 127 -10.566 0.994 -9.501 1.00 1.16 H new ATOM 0 HB2 PRO A 127 -10.015 -1.495 -7.855 1.00 1.17 H new ATOM 0 HB3 PRO A 127 -10.737 -1.394 -9.449 1.00 1.17 H new ATOM 0 HG2 PRO A 127 -8.219 -2.246 -9.154 1.00 1.11 H new ATOM 0 HG3 PRO A 127 -8.670 -1.263 -10.534 1.00 1.11 H new ATOM 0 HD2 PRO A 127 -7.133 -0.476 -8.077 1.00 1.03 H new ATOM 0 HD3 PRO A 127 -6.959 0.106 -9.721 1.00 1.03 H new ATOM 1452 N PRO A 128 -12.045 1.213 -7.507 1.00 1.19 N ATOM 1453 CA PRO A 128 -12.844 1.715 -6.373 1.00 1.21 C ATOM 1454 C PRO A 128 -13.069 0.689 -5.259 1.00 1.10 C ATOM 1455 O PRO A 128 -13.769 0.969 -4.287 1.00 1.18 O ATOM 1456 CB PRO A 128 -14.180 2.090 -7.022 1.00 1.37 C ATOM 1457 CG PRO A 128 -14.255 1.260 -8.256 1.00 1.54 C ATOM 1458 CD PRO A 128 -12.842 1.128 -8.745 1.00 1.37 C ATOM 0 HA PRO A 128 -12.331 2.537 -5.874 1.00 1.21 H new ATOM 0 HB2 PRO A 128 -15.016 1.881 -6.354 1.00 1.37 H new ATOM 0 HB3 PRO A 128 -14.219 3.153 -7.258 1.00 1.37 H new ATOM 0 HG2 PRO A 128 -14.689 0.283 -8.044 1.00 1.54 H new ATOM 0 HG3 PRO A 128 -14.887 1.733 -9.008 1.00 1.54 H new ATOM 0 HD2 PRO A 128 -12.682 0.182 -9.262 1.00 1.37 H new ATOM 0 HD3 PRO A 128 -12.583 1.922 -9.445 1.00 1.37 H new ATOM 1466 N HIS A 129 -12.484 -0.495 -5.391 1.00 1.01 N ATOM 1467 CA HIS A 129 -12.612 -1.510 -4.351 1.00 0.97 C ATOM 1468 C HIS A 129 -11.245 -1.839 -3.750 1.00 0.84 C ATOM 1469 O HIS A 129 -11.113 -2.773 -2.962 1.00 0.85 O ATOM 1470 CB HIS A 129 -13.294 -2.782 -4.895 1.00 1.00 C ATOM 1471 CG HIS A 129 -12.428 -3.655 -5.761 1.00 0.91 C ATOM 1472 ND1 HIS A 129 -12.384 -3.556 -7.133 1.00 1.07 N ATOM 1473 CD2 HIS A 129 -11.589 -4.667 -5.437 1.00 0.84 C ATOM 1474 CE1 HIS A 129 -11.556 -4.463 -7.613 1.00 1.02 C ATOM 1475 NE2 HIS A 129 -11.060 -5.154 -6.605 1.00 0.89 N ATOM 0 H HIS A 129 -11.923 -0.775 -6.196 1.00 1.01 H new ATOM 0 HA HIS A 129 -13.246 -1.106 -3.561 1.00 0.97 H new ATOM 0 HB2 HIS A 129 -13.649 -3.373 -4.051 1.00 1.00 H new ATOM 0 HB3 HIS A 129 -14.172 -2.486 -5.469 1.00 1.00 H new ATOM 0 HD2 HIS A 129 -11.375 -5.025 -4.441 1.00 0.84 H new ATOM 0 HE1 HIS A 129 -11.323 -4.615 -8.657 1.00 1.02 H new ATOM 0 HE2 HIS A 129 -10.394 -5.923 -6.681 1.00 0.89 H new ATOM 1484 N LEU A 130 -10.227 -1.074 -4.134 1.00 0.79 N ATOM 1485 CA LEU A 130 -8.884 -1.285 -3.601 1.00 0.70 C ATOM 1486 C LEU A 130 -8.490 -0.176 -2.639 1.00 0.65 C ATOM 1487 O LEU A 130 -7.394 -0.181 -2.089 1.00 0.61 O ATOM 1488 CB LEU A 130 -7.851 -1.411 -4.725 1.00 0.73 C ATOM 1489 CG LEU A 130 -7.816 -2.778 -5.413 1.00 0.84 C ATOM 1490 CD1 LEU A 130 -6.738 -2.815 -6.480 1.00 1.36 C ATOM 1491 CD2 LEU A 130 -7.591 -3.887 -4.393 1.00 1.29 C ATOM 0 H LEU A 130 -10.304 -0.310 -4.805 1.00 0.79 H new ATOM 0 HA LEU A 130 -8.900 -2.224 -3.048 1.00 0.70 H new ATOM 0 HB2 LEU A 130 -8.056 -0.647 -5.475 1.00 0.73 H new ATOM 0 HB3 LEU A 130 -6.863 -1.200 -4.317 1.00 0.73 H new ATOM 0 HG LEU A 130 -8.781 -2.940 -5.893 1.00 0.84 H new ATOM 0 HD11 LEU A 130 -6.731 -3.796 -6.956 1.00 1.36 H new ATOM 0 HD12 LEU A 130 -6.941 -2.049 -7.229 1.00 1.36 H new ATOM 0 HD13 LEU A 130 -5.767 -2.627 -6.023 1.00 1.36 H new ATOM 0 HD21 LEU A 130 -7.569 -4.851 -4.902 1.00 1.29 H new ATOM 0 HD22 LEU A 130 -6.642 -3.725 -3.883 1.00 1.29 H new ATOM 0 HD23 LEU A 130 -8.401 -3.880 -3.663 1.00 1.29 H new ATOM 1503 N VAL A 131 -9.395 0.763 -2.423 1.00 0.71 N ATOM 1504 CA VAL A 131 -9.185 1.801 -1.424 1.00 0.71 C ATOM 1505 C VAL A 131 -9.435 1.249 -0.022 1.00 0.69 C ATOM 1506 O VAL A 131 -10.519 0.738 0.270 1.00 0.76 O ATOM 1507 CB VAL A 131 -10.088 3.029 -1.674 1.00 0.76 C ATOM 1508 CG1 VAL A 131 -9.533 3.871 -2.810 1.00 1.19 C ATOM 1509 CG2 VAL A 131 -11.518 2.605 -1.993 1.00 1.28 C ATOM 0 H VAL A 131 -10.281 0.830 -2.924 1.00 0.71 H new ATOM 0 HA VAL A 131 -8.148 2.126 -1.505 1.00 0.71 H new ATOM 0 HB VAL A 131 -10.102 3.624 -0.761 1.00 0.76 H new ATOM 0 HG11 VAL A 131 -10.180 4.733 -2.974 1.00 1.19 H new ATOM 0 HG12 VAL A 131 -8.531 4.214 -2.553 1.00 1.19 H new ATOM 0 HG13 VAL A 131 -9.489 3.272 -3.719 1.00 1.19 H new ATOM 0 HG21 VAL A 131 -12.130 3.490 -2.164 1.00 1.28 H new ATOM 0 HG22 VAL A 131 -11.522 1.982 -2.888 1.00 1.28 H new ATOM 0 HG23 VAL A 131 -11.925 2.039 -1.155 1.00 1.28 H new ATOM 1519 N PRO A 132 -8.413 1.316 0.845 1.00 0.62 N ATOM 1520 CA PRO A 132 -8.500 0.815 2.221 1.00 0.65 C ATOM 1521 C PRO A 132 -9.692 1.397 2.968 1.00 0.77 C ATOM 1522 O PRO A 132 -10.088 2.536 2.720 1.00 0.81 O ATOM 1523 CB PRO A 132 -7.189 1.286 2.856 1.00 0.64 C ATOM 1524 CG PRO A 132 -6.250 1.443 1.711 1.00 0.64 C ATOM 1525 CD PRO A 132 -7.086 1.877 0.542 1.00 0.57 C ATOM 0 HA PRO A 132 -8.639 -0.266 2.255 1.00 0.65 H new ATOM 0 HB2 PRO A 132 -7.323 2.227 3.390 1.00 0.64 H new ATOM 0 HB3 PRO A 132 -6.815 0.560 3.578 1.00 0.64 H new ATOM 0 HG2 PRO A 132 -5.481 2.182 1.936 1.00 0.64 H new ATOM 0 HG3 PRO A 132 -5.737 0.505 1.496 1.00 0.64 H new ATOM 0 HD2 PRO A 132 -7.120 2.963 0.453 1.00 0.57 H new ATOM 0 HD3 PRO A 132 -6.692 1.492 -0.399 1.00 0.57 H new ATOM 1533 N PRO A 133 -10.272 0.629 3.906 1.00 0.88 N ATOM 1534 CA PRO A 133 -11.446 1.062 4.675 1.00 1.03 C ATOM 1535 C PRO A 133 -11.219 2.393 5.392 1.00 1.04 C ATOM 1536 O PRO A 133 -12.160 3.142 5.642 1.00 1.13 O ATOM 1537 CB PRO A 133 -11.642 -0.067 5.692 1.00 1.17 C ATOM 1538 CG PRO A 133 -10.996 -1.257 5.072 1.00 1.03 C ATOM 1539 CD PRO A 133 -9.833 -0.729 4.285 1.00 0.93 C ATOM 0 HA PRO A 133 -12.310 1.232 4.033 1.00 1.03 H new ATOM 0 HB2 PRO A 133 -11.182 0.179 6.649 1.00 1.17 H new ATOM 0 HB3 PRO A 133 -12.700 -0.247 5.884 1.00 1.17 H new ATOM 0 HG2 PRO A 133 -10.664 -1.963 5.834 1.00 1.03 H new ATOM 0 HG3 PRO A 133 -11.695 -1.789 4.427 1.00 1.03 H new ATOM 0 HD2 PRO A 133 -8.921 -0.706 4.881 1.00 0.93 H new ATOM 0 HD3 PRO A 133 -9.626 -1.345 3.410 1.00 0.93 H new ATOM 1547 N SER A 134 -9.961 2.685 5.697 1.00 1.02 N ATOM 1548 CA SER A 134 -9.605 3.911 6.392 1.00 1.09 C ATOM 1549 C SER A 134 -9.324 5.058 5.413 1.00 1.09 C ATOM 1550 O SER A 134 -9.243 6.218 5.816 1.00 1.22 O ATOM 1551 CB SER A 134 -8.389 3.655 7.293 1.00 1.14 C ATOM 1552 OG SER A 134 -7.397 2.886 6.621 1.00 1.60 O ATOM 0 H SER A 134 -9.168 2.085 5.472 1.00 1.02 H new ATOM 0 HA SER A 134 -10.452 4.216 7.006 1.00 1.09 H new ATOM 0 HB2 SER A 134 -7.962 4.607 7.609 1.00 1.14 H new ATOM 0 HB3 SER A 134 -8.707 3.133 8.196 1.00 1.14 H new ATOM 0 HG SER A 134 -7.129 2.132 7.187 1.00 1.60 H new ATOM 1558 N LYS A 135 -9.175 4.735 4.128 1.00 0.99 N ATOM 1559 CA LYS A 135 -8.856 5.740 3.113 1.00 1.02 C ATOM 1560 C LYS A 135 -10.021 5.973 2.154 1.00 1.11 C ATOM 1561 O LYS A 135 -10.034 6.959 1.414 1.00 1.21 O ATOM 1562 CB LYS A 135 -7.622 5.320 2.306 1.00 0.89 C ATOM 1563 CG LYS A 135 -6.294 5.631 2.980 1.00 0.90 C ATOM 1564 CD LYS A 135 -6.105 4.843 4.261 1.00 0.67 C ATOM 1565 CE LYS A 135 -4.817 5.236 4.970 1.00 0.66 C ATOM 1566 NZ LYS A 135 -4.728 4.653 6.335 1.00 1.15 N ATOM 0 H LYS A 135 -9.270 3.786 3.765 1.00 0.99 H new ATOM 0 HA LYS A 135 -8.653 6.670 3.644 1.00 1.02 H new ATOM 0 HB2 LYS A 135 -7.676 4.248 2.114 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -7.649 5.819 1.337 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -5.478 5.406 2.293 1.00 0.90 H new ATOM 0 HG3 LYS A 135 -6.241 6.697 3.200 1.00 0.90 H new ATOM 0 HD2 LYS A 135 -6.953 5.014 4.924 1.00 0.67 H new ATOM 0 HD3 LYS A 135 -6.087 3.777 4.035 1.00 0.67 H new ATOM 0 HE2 LYS A 135 -3.963 4.905 4.379 1.00 0.66 H new ATOM 0 HE3 LYS A 135 -4.757 6.322 5.036 1.00 0.66 H new ATOM 0 HZ1 LYS A 135 -3.800 4.876 6.748 1.00 1.15 H new ATOM 0 HZ2 LYS A 135 -5.478 5.054 6.933 1.00 1.15 H new ATOM 0 HZ3 LYS A 135 -4.843 3.621 6.280 1.00 1.15 H new ATOM 1580 N ARG A 136 -10.991 5.070 2.158 1.00 1.14 N ATOM 1581 CA ARG A 136 -12.120 5.176 1.248 1.00 1.24 C ATOM 1582 C ARG A 136 -13.082 6.265 1.715 1.00 1.49 C ATOM 1583 O ARG A 136 -13.289 6.457 2.914 1.00 1.58 O ATOM 1584 CB ARG A 136 -12.851 3.834 1.123 1.00 1.18 C ATOM 1585 CG ARG A 136 -13.600 3.419 2.378 1.00 1.21 C ATOM 1586 CD ARG A 136 -14.374 2.129 2.162 1.00 1.20 C ATOM 1587 NE ARG A 136 -15.370 1.913 3.213 1.00 1.60 N ATOM 1588 CZ ARG A 136 -16.255 0.913 3.208 1.00 1.82 C ATOM 1589 NH1 ARG A 136 -16.218 -0.020 2.265 1.00 1.40 N ATOM 1590 NH2 ARG A 136 -17.185 0.850 4.150 1.00 2.76 N ATOM 0 H ARG A 136 -11.019 4.260 2.778 1.00 1.14 H new ATOM 0 HA ARG A 136 -11.738 5.448 0.264 1.00 1.24 H new ATOM 0 HB2 ARG A 136 -13.556 3.892 0.294 1.00 1.18 H new ATOM 0 HB3 ARG A 136 -12.127 3.059 0.872 1.00 1.18 H new ATOM 0 HG2 ARG A 136 -12.894 3.288 3.198 1.00 1.21 H new ATOM 0 HG3 ARG A 136 -14.287 4.212 2.672 1.00 1.21 H new ATOM 0 HD2 ARG A 136 -14.870 2.160 1.192 1.00 1.20 H new ATOM 0 HD3 ARG A 136 -13.681 1.288 2.139 1.00 1.20 H new ATOM 0 HE ARG A 136 -15.389 2.566 3.996 1.00 1.60 H new ATOM 0 HH11 ARG A 136 -15.508 0.022 1.534 1.00 1.40 H new ATOM 0 HH12 ARG A 136 -16.899 -0.779 2.272 1.00 1.40 H new ATOM 0 HH21 ARG A 136 -17.224 1.564 4.877 1.00 2.76 H new ATOM 0 HH22 ARG A 136 -17.862 0.087 4.148 1.00 2.76 H new ATOM 1604 N ARG A 137 -13.665 6.984 0.768 1.00 1.73 N ATOM 1605 CA ARG A 137 -14.555 8.082 1.108 1.00 2.03 C ATOM 1606 C ARG A 137 -15.983 7.587 1.265 1.00 2.43 C ATOM 1607 O ARG A 137 -16.683 7.348 0.282 1.00 2.60 O ATOM 1608 CB ARG A 137 -14.510 9.173 0.043 1.00 2.24 C ATOM 1609 CG ARG A 137 -15.134 10.484 0.495 1.00 2.53 C ATOM 1610 CD ARG A 137 -15.329 11.438 -0.671 1.00 2.87 C ATOM 1611 NE ARG A 137 -14.120 11.577 -1.478 1.00 3.17 N ATOM 1612 CZ ARG A 137 -13.999 12.433 -2.490 1.00 3.83 C ATOM 1613 NH1 ARG A 137 -14.969 13.301 -2.757 1.00 4.17 N ATOM 1614 NH2 ARG A 137 -12.894 12.433 -3.224 1.00 4.54 N ATOM 0 H ARG A 137 -13.539 6.829 -0.232 1.00 1.73 H new ATOM 0 HA ARG A 137 -14.214 8.500 2.055 1.00 2.03 H new ATOM 0 HB2 ARG A 137 -13.473 9.351 -0.240 1.00 2.24 H new ATOM 0 HB3 ARG A 137 -15.028 8.821 -0.849 1.00 2.24 H new ATOM 0 HG2 ARG A 137 -16.095 10.286 0.970 1.00 2.53 H new ATOM 0 HG3 ARG A 137 -14.498 10.951 1.246 1.00 2.53 H new ATOM 0 HD2 ARG A 137 -16.144 11.079 -1.299 1.00 2.87 H new ATOM 0 HD3 ARG A 137 -15.625 12.416 -0.292 1.00 2.87 H new ATOM 0 HE ARG A 137 -13.322 10.983 -1.253 1.00 3.17 H new ATOM 0 HH11 ARG A 137 -15.813 13.314 -2.185 1.00 4.17 H new ATOM 0 HH12 ARG A 137 -14.869 13.954 -3.534 1.00 4.17 H new ATOM 0 HH21 ARG A 137 -12.141 11.779 -3.012 1.00 4.54 H new ATOM 0 HH22 ARG A 137 -12.797 13.087 -4.000 1.00 4.54 H new ATOM 1628 N HIS A 138 -16.400 7.402 2.501 1.00 2.88 N ATOM 1629 CA HIS A 138 -17.775 7.042 2.788 1.00 3.44 C ATOM 1630 C HIS A 138 -18.497 8.237 3.393 1.00 3.98 C ATOM 1631 O HIS A 138 -18.340 8.515 4.579 1.00 4.30 O ATOM 1632 CB HIS A 138 -17.828 5.831 3.735 1.00 3.84 C ATOM 1633 CG HIS A 138 -19.215 5.403 4.114 1.00 4.52 C ATOM 1634 ND1 HIS A 138 -19.836 5.804 5.278 1.00 5.25 N ATOM 1635 CD2 HIS A 138 -20.102 4.596 3.480 1.00 4.95 C ATOM 1636 CE1 HIS A 138 -21.037 5.265 5.345 1.00 5.95 C ATOM 1637 NE2 HIS A 138 -21.224 4.531 4.267 1.00 5.77 N ATOM 0 H HIS A 138 -15.806 7.495 3.325 1.00 2.88 H new ATOM 0 HA HIS A 138 -18.275 6.762 1.861 1.00 3.44 H new ATOM 0 HB2 HIS A 138 -17.318 4.992 3.262 1.00 3.84 H new ATOM 0 HB3 HIS A 138 -17.273 6.070 4.643 1.00 3.84 H new ATOM 0 HD2 HIS A 138 -19.953 4.098 2.533 1.00 4.95 H new ATOM 0 HE1 HIS A 138 -21.747 5.402 6.147 1.00 5.95 H new ATOM 0 HE2 HIS A 138 -22.068 4.000 4.052 1.00 5.77 H new ATOM 1646 N GLU A 139 -19.258 8.944 2.557 1.00 4.30 N ATOM 1647 CA GLU A 139 -19.984 10.146 2.975 1.00 4.91 C ATOM 1648 C GLU A 139 -18.996 11.246 3.359 1.00 5.22 C ATOM 1649 O GLU A 139 -18.719 11.420 4.563 1.00 5.78 O ATOM 1650 CB GLU A 139 -20.948 9.827 4.133 1.00 5.38 C ATOM 1651 CG GLU A 139 -21.759 11.015 4.628 1.00 5.41 C ATOM 1652 CD GLU A 139 -22.603 11.649 3.542 1.00 5.79 C ATOM 1653 OE1 GLU A 139 -23.688 11.114 3.231 1.00 6.15 O ATOM 1654 OE2 GLU A 139 -22.172 12.675 2.978 1.00 6.01 O ATOM 1655 OXT GLU A 139 -18.484 11.921 2.442 1.00 5.23 O ATOM 0 H GLU A 139 -19.389 8.702 1.575 1.00 4.30 H new ATOM 0 HA GLU A 139 -20.585 10.504 2.139 1.00 4.91 H new ATOM 0 HB2 GLU A 139 -21.635 9.044 3.811 1.00 5.38 H new ATOM 0 HB3 GLU A 139 -20.373 9.424 4.967 1.00 5.38 H new ATOM 0 HG2 GLU A 139 -22.408 10.691 5.442 1.00 5.41 H new ATOM 0 HG3 GLU A 139 -21.082 11.764 5.038 1.00 5.41 H new TER 1662 GLU A 139 ATOM 1663 N PHE B 143 16.820 18.616 -11.037 1.00 10.39 N ATOM 1664 CA PHE B 143 16.942 19.861 -10.250 1.00 9.66 C ATOM 1665 C PHE B 143 15.672 20.108 -9.444 1.00 8.69 C ATOM 1666 O PHE B 143 15.733 20.575 -8.307 1.00 8.65 O ATOM 1667 CB PHE B 143 17.223 21.054 -11.173 1.00 10.03 C ATOM 1668 CG PHE B 143 17.473 22.343 -10.435 1.00 10.55 C ATOM 1669 CD1 PHE B 143 18.725 22.629 -9.908 1.00 10.94 C ATOM 1670 CD2 PHE B 143 16.454 23.267 -10.264 1.00 10.86 C ATOM 1671 CE1 PHE B 143 18.953 23.813 -9.227 1.00 11.60 C ATOM 1672 CE2 PHE B 143 16.677 24.451 -9.586 1.00 11.48 C ATOM 1673 CZ PHE B 143 17.927 24.724 -9.066 1.00 11.86 C ATOM 0 HA PHE B 143 17.778 19.750 -9.559 1.00 9.66 H new ATOM 0 HB2 PHE B 143 18.090 20.826 -11.793 1.00 10.03 H new ATOM 0 HB3 PHE B 143 16.376 21.189 -11.846 1.00 10.03 H new ATOM 0 HD1 PHE B 143 19.530 21.920 -10.031 1.00 10.94 H new ATOM 0 HD2 PHE B 143 15.473 23.059 -10.666 1.00 10.86 H new ATOM 0 HE1 PHE B 143 19.932 24.024 -8.822 1.00 11.60 H new ATOM 0 HE2 PHE B 143 15.874 25.162 -9.463 1.00 11.48 H new ATOM 0 HZ PHE B 143 18.102 25.648 -8.535 1.00 11.86 H new ATOM 1685 N ASN B 144 14.523 19.794 -10.029 1.00 8.14 N ATOM 1686 CA ASN B 144 13.253 19.995 -9.346 1.00 7.38 C ATOM 1687 C ASN B 144 13.013 18.888 -8.329 1.00 6.30 C ATOM 1688 O ASN B 144 12.607 17.780 -8.681 1.00 6.24 O ATOM 1689 CB ASN B 144 12.095 20.056 -10.348 1.00 7.92 C ATOM 1690 CG ASN B 144 10.733 20.100 -9.674 1.00 7.74 C ATOM 1691 OD1 ASN B 144 10.250 21.165 -9.291 1.00 7.80 O ATOM 1692 ND2 ASN B 144 10.107 18.945 -9.530 1.00 7.83 N ATOM 0 H ASN B 144 14.445 19.402 -10.967 1.00 8.14 H new ATOM 0 HA ASN B 144 13.300 20.949 -8.820 1.00 7.38 H new ATOM 0 HB2 ASN B 144 12.212 20.938 -10.978 1.00 7.92 H new ATOM 0 HB3 ASN B 144 12.142 19.187 -11.004 1.00 7.92 H new ATOM 0 HD21 ASN B 144 9.189 18.914 -9.087 1.00 7.83 H new ATOM 0 HD22 ASN B 144 10.542 18.084 -9.861 1.00 7.83 H new ATOM 1699 N TYR B 145 13.295 19.183 -7.072 1.00 5.72 N ATOM 1700 CA TYR B 145 13.058 18.233 -6.005 1.00 4.87 C ATOM 1701 C TYR B 145 11.676 18.467 -5.408 1.00 4.32 C ATOM 1702 O TYR B 145 11.279 19.608 -5.161 1.00 4.64 O ATOM 1703 CB TYR B 145 14.144 18.353 -4.922 1.00 5.10 C ATOM 1704 CG TYR B 145 14.002 19.578 -4.044 1.00 5.03 C ATOM 1705 CD1 TYR B 145 14.481 20.819 -4.449 1.00 5.17 C ATOM 1706 CD2 TYR B 145 13.372 19.489 -2.811 1.00 5.32 C ATOM 1707 CE1 TYR B 145 14.334 21.936 -3.646 1.00 5.60 C ATOM 1708 CE2 TYR B 145 13.221 20.597 -2.006 1.00 5.78 C ATOM 1709 CZ TYR B 145 13.703 21.818 -2.425 1.00 5.92 C ATOM 1710 OH TYR B 145 13.549 22.927 -1.624 1.00 6.71 O ATOM 0 H TYR B 145 13.688 20.074 -6.768 1.00 5.72 H new ATOM 0 HA TYR B 145 13.101 17.223 -6.413 1.00 4.87 H new ATOM 0 HB2 TYR B 145 14.117 17.463 -4.294 1.00 5.10 H new ATOM 0 HB3 TYR B 145 15.122 18.374 -5.403 1.00 5.10 H new ATOM 0 HD1 TYR B 145 14.975 20.912 -5.405 1.00 5.17 H new ATOM 0 HD2 TYR B 145 12.993 18.535 -2.476 1.00 5.32 H new ATOM 0 HE1 TYR B 145 14.711 22.894 -3.973 1.00 5.60 H new ATOM 0 HE2 TYR B 145 12.727 20.509 -1.050 1.00 5.78 H new ATOM 0 HH TYR B 145 13.084 22.673 -0.800 1.00 6.71 H new ATOM 1720 N GLU B 146 10.932 17.393 -5.217 1.00 3.92 N ATOM 1721 CA GLU B 146 9.636 17.462 -4.552 1.00 3.68 C ATOM 1722 C GLU B 146 9.479 16.282 -3.603 1.00 2.72 C ATOM 1723 O GLU B 146 8.996 16.442 -2.487 1.00 2.75 O ATOM 1724 CB GLU B 146 8.497 17.500 -5.578 1.00 4.48 C ATOM 1725 CG GLU B 146 8.472 18.781 -6.399 1.00 5.23 C ATOM 1726 CD GLU B 146 7.322 18.835 -7.386 1.00 5.98 C ATOM 1727 OE1 GLU B 146 6.194 19.176 -6.972 1.00 6.16 O ATOM 1728 OE2 GLU B 146 7.530 18.522 -8.575 1.00 6.61 O ATOM 0 H GLU B 146 11.202 16.455 -5.514 1.00 3.92 H new ATOM 0 HA GLU B 146 9.587 18.384 -3.972 1.00 3.68 H new ATOM 0 HB2 GLU B 146 8.593 16.647 -6.250 1.00 4.48 H new ATOM 0 HB3 GLU B 146 7.545 17.390 -5.059 1.00 4.48 H new ATOM 0 HG2 GLU B 146 8.405 19.635 -5.726 1.00 5.23 H new ATOM 0 HG3 GLU B 146 9.413 18.876 -6.941 1.00 5.23 H new ATOM 1735 N SER B 147 9.919 15.107 -4.066 1.00 2.52 N ATOM 1736 CA SER B 147 9.936 13.888 -3.258 1.00 2.12 C ATOM 1737 C SER B 147 8.521 13.392 -2.972 1.00 1.51 C ATOM 1738 O SER B 147 7.753 14.022 -2.249 1.00 1.82 O ATOM 1739 CB SER B 147 10.707 14.111 -1.951 1.00 3.04 C ATOM 1740 OG SER B 147 10.958 12.883 -1.284 1.00 3.65 O ATOM 0 H SER B 147 10.273 14.977 -5.014 1.00 2.52 H new ATOM 0 HA SER B 147 10.450 13.117 -3.832 1.00 2.12 H new ATOM 0 HB2 SER B 147 11.652 14.611 -2.164 1.00 3.04 H new ATOM 0 HB3 SER B 147 10.137 14.772 -1.298 1.00 3.04 H new ATOM 0 HG SER B 147 11.452 13.056 -0.455 1.00 3.65 H new ATOM 1746 N THR B 148 8.187 12.251 -3.544 1.00 0.99 N ATOM 1747 CA THR B 148 6.858 11.691 -3.392 1.00 0.74 C ATOM 1748 C THR B 148 6.918 10.391 -2.592 1.00 0.58 C ATOM 1749 O THR B 148 5.903 9.735 -2.362 1.00 1.05 O ATOM 1750 CB THR B 148 6.231 11.446 -4.778 1.00 1.17 C ATOM 1751 OG1 THR B 148 6.572 12.536 -5.650 1.00 1.57 O ATOM 1752 CG2 THR B 148 4.714 11.332 -4.686 1.00 1.79 C ATOM 0 H THR B 148 8.819 11.693 -4.119 1.00 0.99 H new ATOM 0 HA THR B 148 6.235 12.399 -2.846 1.00 0.74 H new ATOM 0 HB THR B 148 6.622 10.508 -5.171 1.00 1.17 H new ATOM 0 HG1 THR B 148 6.177 12.384 -6.534 1.00 1.57 H new ATOM 0 HG21 THR B 148 4.301 11.159 -5.680 1.00 1.79 H new ATOM 0 HG22 THR B 148 4.451 10.499 -4.034 1.00 1.79 H new ATOM 0 HG23 THR B 148 4.304 12.256 -4.278 1.00 1.79 H new ATOM 1760 N GLY B 149 8.119 10.028 -2.161 1.00 0.48 N ATOM 1761 CA GLY B 149 8.287 8.829 -1.369 1.00 0.35 C ATOM 1762 C GLY B 149 9.741 8.452 -1.211 1.00 0.33 C ATOM 1763 O GLY B 149 10.622 9.166 -1.686 1.00 0.39 O ATOM 0 H GLY B 149 8.979 10.544 -2.347 1.00 0.48 H new ATOM 0 HA2 GLY B 149 7.843 8.980 -0.385 1.00 0.35 H new ATOM 0 HA3 GLY B 149 7.748 8.006 -1.839 1.00 0.35 H new ATOM 1767 N PRO B 150 10.027 7.316 -0.561 1.00 0.28 N ATOM 1768 CA PRO B 150 11.402 6.856 -0.331 1.00 0.29 C ATOM 1769 C PRO B 150 12.062 6.342 -1.611 1.00 0.30 C ATOM 1770 O PRO B 150 13.231 5.944 -1.610 1.00 0.33 O ATOM 1771 CB PRO B 150 11.226 5.721 0.680 1.00 0.29 C ATOM 1772 CG PRO B 150 9.855 5.203 0.435 1.00 0.26 C ATOM 1773 CD PRO B 150 9.032 6.390 0.007 1.00 0.26 C ATOM 0 HA PRO B 150 12.052 7.658 0.018 1.00 0.29 H new ATOM 0 HB2 PRO B 150 11.975 4.942 0.535 1.00 0.29 H new ATOM 0 HB3 PRO B 150 11.336 6.082 1.703 1.00 0.29 H new ATOM 0 HG2 PRO B 150 9.861 4.434 -0.337 1.00 0.26 H new ATOM 0 HG3 PRO B 150 9.443 4.747 1.336 1.00 0.26 H new ATOM 0 HD2 PRO B 150 8.278 6.111 -0.729 1.00 0.26 H new ATOM 0 HD3 PRO B 150 8.504 6.837 0.850 1.00 0.26 H new ATOM 1781 N PHE B 151 11.302 6.343 -2.698 1.00 0.31 N ATOM 1782 CA PHE B 151 11.795 5.863 -3.979 1.00 0.36 C ATOM 1783 C PHE B 151 12.146 7.022 -4.905 1.00 0.51 C ATOM 1784 O PHE B 151 12.558 6.817 -6.041 1.00 0.75 O ATOM 1785 CB PHE B 151 10.758 4.940 -4.625 1.00 0.34 C ATOM 1786 CG PHE B 151 10.423 3.763 -3.756 1.00 0.29 C ATOM 1787 CD1 PHE B 151 11.410 2.861 -3.389 1.00 0.32 C ATOM 1788 CD2 PHE B 151 9.133 3.570 -3.280 1.00 0.34 C ATOM 1789 CE1 PHE B 151 11.117 1.788 -2.571 1.00 0.39 C ATOM 1790 CE2 PHE B 151 8.840 2.500 -2.459 1.00 0.40 C ATOM 1791 CZ PHE B 151 9.832 1.609 -2.106 1.00 0.41 C ATOM 0 H PHE B 151 10.337 6.673 -2.716 1.00 0.31 H new ATOM 0 HA PHE B 151 12.710 5.296 -3.806 1.00 0.36 H new ATOM 0 HB2 PHE B 151 9.850 5.506 -4.832 1.00 0.34 H new ATOM 0 HB3 PHE B 151 11.138 4.585 -5.583 1.00 0.34 H new ATOM 0 HD1 PHE B 151 12.419 2.999 -3.747 1.00 0.32 H new ATOM 0 HD2 PHE B 151 8.352 4.263 -3.555 1.00 0.34 H new ATOM 0 HE1 PHE B 151 11.894 1.090 -2.296 1.00 0.39 H new ATOM 0 HE2 PHE B 151 7.834 2.360 -2.093 1.00 0.40 H new ATOM 0 HZ PHE B 151 9.602 0.771 -1.465 1.00 0.41 H new ATOM 1801 N THR B 152 11.988 8.244 -4.408 1.00 0.66 N ATOM 1802 CA THR B 152 12.386 9.424 -5.160 1.00 0.91 C ATOM 1803 C THR B 152 13.627 10.052 -4.530 1.00 1.58 C ATOM 1804 O THR B 152 13.889 11.245 -4.686 1.00 2.22 O ATOM 1805 CB THR B 152 11.240 10.458 -5.251 1.00 1.40 C ATOM 1806 OG1 THR B 152 10.674 10.707 -3.957 1.00 2.16 O ATOM 1807 CG2 THR B 152 10.144 9.976 -6.193 1.00 1.64 C ATOM 0 H THR B 152 11.588 8.441 -3.490 1.00 0.66 H new ATOM 0 HA THR B 152 12.622 9.110 -6.177 1.00 0.91 H new ATOM 0 HB THR B 152 11.665 11.383 -5.642 1.00 1.40 H new ATOM 0 HG1 THR B 152 10.709 9.887 -3.421 1.00 2.16 H new ATOM 0 HG21 THR B 152 9.350 10.721 -6.239 1.00 1.64 H new ATOM 0 HG22 THR B 152 10.560 9.827 -7.189 1.00 1.64 H new ATOM 0 HG23 THR B 152 9.737 9.034 -5.825 1.00 1.64 H new ATOM 1815 N ALA B 153 14.391 9.228 -3.821 1.00 2.23 N ATOM 1816 CA ALA B 153 15.631 9.668 -3.200 1.00 3.13 C ATOM 1817 C ALA B 153 16.804 8.858 -3.743 1.00 3.79 C ATOM 1818 O ALA B 153 17.595 9.357 -4.543 1.00 4.40 O ATOM 1819 CB ALA B 153 15.543 9.544 -1.689 1.00 3.77 C ATOM 0 H ALA B 153 14.169 8.245 -3.663 1.00 2.23 H new ATOM 0 HA ALA B 153 15.793 10.718 -3.443 1.00 3.13 H new ATOM 0 HB1 ALA B 153 16.479 9.877 -1.241 1.00 3.77 H new ATOM 0 HB2 ALA B 153 14.724 10.162 -1.320 1.00 3.77 H new ATOM 0 HB3 ALA B 153 15.362 8.503 -1.419 1.00 3.77 H new ATOM 1825 N LYS B 154 16.906 7.605 -3.305 1.00 4.06 N ATOM 1826 CA LYS B 154 17.895 6.675 -3.849 1.00 4.97 C ATOM 1827 C LYS B 154 17.196 5.428 -4.363 1.00 5.83 C ATOM 1828 O LYS B 154 16.924 4.528 -3.543 1.00 6.43 O ATOM 1829 CB LYS B 154 18.941 6.255 -2.808 1.00 5.53 C ATOM 1830 CG LYS B 154 19.865 7.368 -2.338 1.00 5.50 C ATOM 1831 CD LYS B 154 19.288 8.115 -1.150 1.00 5.47 C ATOM 1832 CE LYS B 154 20.288 9.109 -0.582 1.00 6.09 C ATOM 1833 NZ LYS B 154 19.804 9.715 0.681 1.00 6.75 N ATOM 1834 OXT LYS B 154 16.906 5.364 -5.572 1.00 6.18 O ATOM 0 H LYS B 154 16.315 7.209 -2.574 1.00 4.06 H new ATOM 0 HA LYS B 154 18.410 7.195 -4.656 1.00 4.97 H new ATOM 0 HB2 LYS B 154 18.424 5.843 -1.942 1.00 5.53 H new ATOM 0 HB3 LYS B 154 19.548 5.453 -3.228 1.00 5.53 H new ATOM 0 HG2 LYS B 154 20.833 6.947 -2.067 1.00 5.50 H new ATOM 0 HG3 LYS B 154 20.039 8.066 -3.157 1.00 5.50 H new ATOM 0 HD2 LYS B 154 18.382 8.640 -1.453 1.00 5.47 H new ATOM 0 HD3 LYS B 154 19.000 7.404 -0.376 1.00 5.47 H new ATOM 0 HE2 LYS B 154 21.239 8.607 -0.403 1.00 6.09 H new ATOM 0 HE3 LYS B 154 20.475 9.895 -1.314 1.00 6.09 H new ATOM 0 HZ1 LYS B 154 20.513 10.387 1.038 1.00 6.75 H new ATOM 0 HZ2 LYS B 154 18.910 10.216 0.505 1.00 6.75 H new ATOM 0 HZ3 LYS B 154 19.649 8.968 1.388 1.00 6.75 H new TER 1848 LYS B 154 HETATM 1849 CA CA A 141 -0.196 6.535 4.050 1.00 0.29 CA