USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 948 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 145 SER OG : rot 7:sc= 1.03 USER MOD Set 1.2: B 146 LYS NZ :NH3+ 137:sc= -0.0137 (180deg=-0.379) USER MOD Set 2.1: A 68 THR OG1 : rot 180:sc= 0.557 USER MOD Set 2.2: A 71 ASN : amide:sc= 0.613 K(o=1.2,f=-9.1e-06) USER MOD Set 3.1: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 111 HIS : no HD1:sc= -0.0204 X(o=-0.02,f=-0.41) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= 1.44 (180deg=1.12) 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 -103:sc= 0.465 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc=-0.00534 K(o=-0.0053,f=-0.9) USER MOD Single : A 66 LYS NZ :NH3+ -171:sc= -0.804 (180deg=-0.931) USER MOD Single : A 73 LYS NZ :NH3+ 175:sc= 1.07 (180deg=0.984) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -124:sc= -0.479 (180deg=-2.07!) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= -0.0908 (180deg=-0.454) USER MOD Single : A 79 SER OG : rot -35:sc= 0.00745 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.4!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.00406 USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0112) USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= 1.16 (180deg=-0.965!) USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0.601 (180deg=0.569) USER MOD Single : A 110 ASN : amide:sc= -1.27! K(o=-1.3!,f=0.044) USER MOD Single : A 114 LYS NZ :NH3+ 161:sc= 0.681 (180deg=0.506) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-0.13) USER MOD Single : A 129 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.012) USER MOD Single : A 134 SER OG : rot 180:sc= 0.00919 USER MOD Single : A 135 LYS NZ :NH3+ -173:sc= 1.09 (180deg=1.01) USER MOD Single : A 138 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 148 TYR OH : rot 180:sc= 0 USER MOD Single : B 149 ASN : amide:sc= -1.7 K(o=-1.7,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 35 -39.450 2.225 6.373 1.00 11.68 N ATOM 2 CA GLY A 35 -38.728 3.453 5.969 1.00 11.24 C ATOM 3 C GLY A 35 -37.455 3.131 5.218 1.00 10.62 C ATOM 4 O GLY A 35 -36.732 2.210 5.596 1.00 10.28 O ATOM 0 HA2 GLY A 35 -39.375 4.066 5.342 1.00 11.24 H new ATOM 0 HA3 GLY A 35 -38.489 4.043 6.854 1.00 11.24 H new ATOM 10 N PRO A 36 -37.150 3.870 4.141 1.00 10.58 N ATOM 11 CA PRO A 36 -35.944 3.645 3.347 1.00 10.06 C ATOM 12 C PRO A 36 -34.691 4.131 4.065 1.00 9.08 C ATOM 13 O PRO A 36 -34.484 5.333 4.245 1.00 8.86 O ATOM 14 CB PRO A 36 -36.184 4.457 2.063 1.00 10.56 C ATOM 15 CG PRO A 36 -37.604 4.922 2.136 1.00 11.24 C ATOM 16 CD PRO A 36 -37.958 4.965 3.593 1.00 11.17 C ATOM 0 HA PRO A 36 -35.776 2.585 3.157 1.00 10.06 H new ATOM 0 HB2 PRO A 36 -35.498 5.302 2.001 1.00 10.56 H new ATOM 0 HB3 PRO A 36 -36.018 3.845 1.176 1.00 10.56 H new ATOM 0 HG2 PRO A 36 -37.715 5.906 1.680 1.00 11.24 H new ATOM 0 HG3 PRO A 36 -38.264 4.243 1.595 1.00 11.24 H new ATOM 0 HD2 PRO A 36 -37.705 5.924 4.045 1.00 11.17 H new ATOM 0 HD3 PRO A 36 -39.024 4.807 3.758 1.00 11.17 H new ATOM 24 N LEU A 37 -33.870 3.188 4.504 1.00 8.62 N ATOM 25 CA LEU A 37 -32.634 3.519 5.194 1.00 7.75 C ATOM 26 C LEU A 37 -31.455 3.360 4.237 1.00 7.28 C ATOM 27 O LEU A 37 -31.213 2.272 3.709 1.00 7.65 O ATOM 28 CB LEU A 37 -32.472 2.615 6.430 1.00 7.67 C ATOM 29 CG LEU A 37 -31.512 3.115 7.526 1.00 8.22 C ATOM 30 CD1 LEU A 37 -30.056 2.947 7.117 1.00 8.45 C ATOM 31 CD2 LEU A 37 -31.803 4.569 7.871 1.00 8.21 C ATOM 0 H LEU A 37 -34.038 2.188 4.394 1.00 8.62 H new ATOM 0 HA LEU A 37 -32.665 4.555 5.531 1.00 7.75 H new ATOM 0 HB2 LEU A 37 -33.455 2.470 6.878 1.00 7.67 H new ATOM 0 HB3 LEU A 37 -32.127 1.637 6.095 1.00 7.67 H new ATOM 0 HG LEU A 37 -31.680 2.503 8.412 1.00 8.22 H new ATOM 0 HD11 LEU A 37 -29.409 3.311 7.916 1.00 8.45 H new ATOM 0 HD12 LEU A 37 -29.849 1.893 6.934 1.00 8.45 H new ATOM 0 HD13 LEU A 37 -29.865 3.517 6.208 1.00 8.45 H new ATOM 0 HD21 LEU A 37 -31.115 4.904 8.647 1.00 8.21 H new ATOM 0 HD22 LEU A 37 -31.676 5.186 6.982 1.00 8.21 H new ATOM 0 HD23 LEU A 37 -32.828 4.659 8.232 1.00 8.21 H new ATOM 43 N GLY A 38 -30.729 4.446 4.011 1.00 6.64 N ATOM 44 CA GLY A 38 -29.595 4.404 3.109 1.00 6.23 C ATOM 45 C GLY A 38 -28.299 4.128 3.837 1.00 5.52 C ATOM 46 O GLY A 38 -28.060 4.659 4.921 1.00 5.30 O ATOM 0 H GLY A 38 -30.905 5.356 4.436 1.00 6.64 H new ATOM 0 HA2 GLY A 38 -29.759 3.632 2.357 1.00 6.23 H new ATOM 0 HA3 GLY A 38 -29.518 5.354 2.580 1.00 6.23 H new ATOM 50 N SER A 39 -27.475 3.272 3.257 1.00 5.34 N ATOM 51 CA SER A 39 -26.195 2.922 3.848 1.00 4.78 C ATOM 52 C SER A 39 -25.076 3.012 2.816 1.00 4.17 C ATOM 53 O SER A 39 -25.219 2.531 1.688 1.00 4.30 O ATOM 54 CB SER A 39 -26.255 1.511 4.433 1.00 5.21 C ATOM 55 OG SER A 39 -27.252 1.412 5.440 1.00 5.85 O ATOM 0 H SER A 39 -27.671 2.804 2.372 1.00 5.34 H new ATOM 0 HA SER A 39 -25.982 3.632 4.647 1.00 4.78 H new ATOM 0 HB2 SER A 39 -26.465 0.794 3.639 1.00 5.21 H new ATOM 0 HB3 SER A 39 -25.284 1.247 4.852 1.00 5.21 H new ATOM 0 HG SER A 39 -27.269 0.499 5.795 1.00 5.85 H new ATOM 61 N ASP A 40 -23.971 3.634 3.206 1.00 3.75 N ATOM 62 CA ASP A 40 -22.798 3.714 2.347 1.00 3.33 C ATOM 63 C ASP A 40 -21.960 2.456 2.539 1.00 2.95 C ATOM 64 O ASP A 40 -21.142 2.374 3.456 1.00 3.12 O ATOM 65 CB ASP A 40 -21.963 4.963 2.677 1.00 3.57 C ATOM 66 CG ASP A 40 -20.869 5.246 1.655 1.00 3.59 C ATOM 67 OD1 ASP A 40 -20.168 4.294 1.246 1.00 4.01 O ATOM 68 OD2 ASP A 40 -20.715 6.407 1.225 1.00 3.65 O ATOM 0 H ASP A 40 -23.863 4.090 4.112 1.00 3.75 H new ATOM 0 HA ASP A 40 -23.119 3.791 1.308 1.00 3.33 H new ATOM 0 HB2 ASP A 40 -22.624 5.827 2.739 1.00 3.57 H new ATOM 0 HB3 ASP A 40 -21.508 4.838 3.660 1.00 3.57 H new ATOM 73 N ASP A 41 -22.198 1.464 1.696 1.00 2.83 N ATOM 74 CA ASP A 41 -21.479 0.205 1.783 1.00 2.69 C ATOM 75 C ASP A 41 -20.495 0.074 0.642 1.00 2.13 C ATOM 76 O ASP A 41 -20.837 0.295 -0.523 1.00 2.29 O ATOM 77 CB ASP A 41 -22.443 -0.987 1.782 1.00 3.37 C ATOM 78 CG ASP A 41 -23.189 -1.146 3.092 1.00 3.54 C ATOM 79 OD1 ASP A 41 -22.599 -1.668 4.060 1.00 3.81 O ATOM 80 OD2 ASP A 41 -24.363 -0.729 3.168 1.00 3.86 O ATOM 0 H ASP A 41 -22.885 1.507 0.943 1.00 2.83 H new ATOM 0 HA ASP A 41 -20.932 0.202 2.726 1.00 2.69 H new ATOM 0 HB2 ASP A 41 -23.163 -0.864 0.973 1.00 3.37 H new ATOM 0 HB3 ASP A 41 -21.884 -1.899 1.576 1.00 3.37 H new ATOM 85 N VAL A 42 -19.269 -0.270 0.987 1.00 1.70 N ATOM 86 CA VAL A 42 -18.219 -0.467 0.000 1.00 1.24 C ATOM 87 C VAL A 42 -17.637 -1.865 0.129 1.00 1.05 C ATOM 88 O VAL A 42 -17.146 -2.241 1.194 1.00 1.25 O ATOM 89 CB VAL A 42 -17.077 0.562 0.163 1.00 1.36 C ATOM 90 CG1 VAL A 42 -15.957 0.293 -0.833 1.00 1.61 C ATOM 91 CG2 VAL A 42 -17.603 1.980 0.007 1.00 1.84 C ATOM 0 H VAL A 42 -18.972 -0.420 1.951 1.00 1.70 H new ATOM 0 HA VAL A 42 -18.671 -0.333 -0.983 1.00 1.24 H new ATOM 0 HB VAL A 42 -16.670 0.457 1.169 1.00 1.36 H new ATOM 0 HG11 VAL A 42 -15.165 1.030 -0.698 1.00 1.61 H new ATOM 0 HG12 VAL A 42 -15.554 -0.706 -0.667 1.00 1.61 H new ATOM 0 HG13 VAL A 42 -16.348 0.362 -1.848 1.00 1.61 H new ATOM 0 HG21 VAL A 42 -16.782 2.688 0.126 1.00 1.84 H new ATOM 0 HG22 VAL A 42 -18.044 2.098 -0.983 1.00 1.84 H new ATOM 0 HG23 VAL A 42 -18.361 2.173 0.767 1.00 1.84 H new ATOM 101 N GLU A 43 -17.711 -2.641 -0.943 1.00 1.01 N ATOM 102 CA GLU A 43 -17.081 -3.944 -0.955 1.00 1.02 C ATOM 103 C GLU A 43 -15.590 -3.788 -1.233 1.00 0.87 C ATOM 104 O GLU A 43 -15.179 -3.226 -2.251 1.00 0.83 O ATOM 105 CB GLU A 43 -17.745 -4.875 -1.975 1.00 1.31 C ATOM 106 CG GLU A 43 -17.622 -4.430 -3.427 1.00 1.47 C ATOM 107 CD GLU A 43 -18.245 -5.424 -4.384 1.00 2.31 C ATOM 108 OE1 GLU A 43 -17.542 -6.366 -4.812 1.00 3.02 O ATOM 109 OE2 GLU A 43 -19.440 -5.281 -4.709 1.00 2.57 O ATOM 0 H GLU A 43 -18.196 -2.391 -1.805 1.00 1.01 H new ATOM 0 HA GLU A 43 -17.209 -4.405 0.025 1.00 1.02 H new ATOM 0 HB2 GLU A 43 -17.307 -5.868 -1.877 1.00 1.31 H new ATOM 0 HB3 GLU A 43 -18.802 -4.966 -1.727 1.00 1.31 H new ATOM 0 HG2 GLU A 43 -18.103 -3.459 -3.550 1.00 1.47 H new ATOM 0 HG3 GLU A 43 -16.569 -4.298 -3.677 1.00 1.47 H new ATOM 116 N TRP A 44 -14.781 -4.246 -0.299 1.00 0.85 N ATOM 117 CA TRP A 44 -13.345 -4.132 -0.429 1.00 0.73 C ATOM 118 C TRP A 44 -12.833 -5.231 -1.349 1.00 0.63 C ATOM 119 O TRP A 44 -12.671 -6.375 -0.931 1.00 0.64 O ATOM 120 CB TRP A 44 -12.694 -4.217 0.951 1.00 0.78 C ATOM 121 CG TRP A 44 -11.446 -3.401 1.071 1.00 0.67 C ATOM 122 CD1 TRP A 44 -11.177 -2.221 0.443 1.00 0.70 C ATOM 123 CD2 TRP A 44 -10.310 -3.689 1.893 1.00 0.61 C ATOM 124 NE1 TRP A 44 -9.937 -1.765 0.809 1.00 0.66 N ATOM 125 CE2 TRP A 44 -9.386 -2.645 1.701 1.00 0.60 C ATOM 126 CE3 TRP A 44 -9.983 -4.728 2.769 1.00 0.64 C ATOM 127 CZ2 TRP A 44 -8.159 -2.608 2.350 1.00 0.63 C ATOM 128 CZ3 TRP A 44 -8.761 -4.690 3.416 1.00 0.67 C ATOM 129 CH2 TRP A 44 -7.863 -3.635 3.203 1.00 0.67 C ATOM 0 H TRP A 44 -15.095 -4.701 0.558 1.00 0.85 H new ATOM 0 HA TRP A 44 -13.086 -3.168 -0.866 1.00 0.73 H new ATOM 0 HB2 TRP A 44 -13.410 -3.885 1.703 1.00 0.78 H new ATOM 0 HB3 TRP A 44 -12.461 -5.259 1.171 1.00 0.78 H new ATOM 0 HD1 TRP A 44 -11.843 -1.719 -0.243 1.00 0.70 H new ATOM 0 HE1 TRP A 44 -9.497 -0.909 0.471 1.00 0.66 H new ATOM 0 HE3 TRP A 44 -10.670 -5.544 2.937 1.00 0.64 H new ATOM 0 HZ2 TRP A 44 -7.464 -1.798 2.187 1.00 0.63 H new ATOM 0 HZ3 TRP A 44 -8.495 -5.486 4.096 1.00 0.67 H new ATOM 0 HH2 TRP A 44 -6.917 -3.633 3.724 1.00 0.67 H new ATOM 140 N VAL A 45 -12.609 -4.874 -2.610 1.00 0.62 N ATOM 141 CA VAL A 45 -12.240 -5.846 -3.640 1.00 0.60 C ATOM 142 C VAL A 45 -10.987 -6.638 -3.282 1.00 0.54 C ATOM 143 O VAL A 45 -10.869 -7.807 -3.638 1.00 0.62 O ATOM 144 CB VAL A 45 -12.043 -5.175 -5.019 1.00 0.73 C ATOM 145 CG1 VAL A 45 -13.380 -4.713 -5.577 1.00 1.24 C ATOM 146 CG2 VAL A 45 -11.068 -4.010 -4.923 1.00 1.09 C ATOM 0 H VAL A 45 -12.677 -3.914 -2.947 1.00 0.62 H new ATOM 0 HA VAL A 45 -13.077 -6.541 -3.696 1.00 0.60 H new ATOM 0 HB VAL A 45 -11.618 -5.912 -5.701 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -13.226 -4.243 -6.548 1.00 1.24 H new ATOM 0 HG12 VAL A 45 -14.043 -5.571 -5.690 1.00 1.24 H new ATOM 0 HG13 VAL A 45 -13.831 -3.994 -4.893 1.00 1.24 H new ATOM 0 HG21 VAL A 45 -10.947 -3.555 -5.906 1.00 1.09 H new ATOM 0 HG22 VAL A 45 -11.455 -3.268 -4.225 1.00 1.09 H new ATOM 0 HG23 VAL A 45 -10.103 -4.372 -4.569 1.00 1.09 H new ATOM 156 N VAL A 46 -10.067 -6.023 -2.550 1.00 0.52 N ATOM 157 CA VAL A 46 -8.842 -6.711 -2.167 1.00 0.53 C ATOM 158 C VAL A 46 -9.102 -7.681 -1.022 1.00 0.52 C ATOM 159 O VAL A 46 -8.223 -8.446 -0.636 1.00 0.51 O ATOM 160 CB VAL A 46 -7.724 -5.731 -1.769 1.00 0.63 C ATOM 161 CG1 VAL A 46 -7.435 -4.772 -2.898 1.00 1.25 C ATOM 162 CG2 VAL A 46 -8.081 -4.971 -0.511 1.00 1.30 C ATOM 0 H VAL A 46 -10.143 -5.063 -2.214 1.00 0.52 H new ATOM 0 HA VAL A 46 -8.507 -7.265 -3.044 1.00 0.53 H new ATOM 0 HB VAL A 46 -6.826 -6.315 -1.565 1.00 0.63 H new ATOM 0 HG11 VAL A 46 -6.642 -4.086 -2.599 1.00 1.25 H new ATOM 0 HG12 VAL A 46 -7.118 -5.331 -3.778 1.00 1.25 H new ATOM 0 HG13 VAL A 46 -8.336 -4.205 -3.133 1.00 1.25 H new ATOM 0 HG21 VAL A 46 -7.271 -4.287 -0.257 1.00 1.30 H new ATOM 0 HG22 VAL A 46 -8.997 -4.403 -0.676 1.00 1.30 H new ATOM 0 HG23 VAL A 46 -8.233 -5.674 0.308 1.00 1.30 H new ATOM 172 N GLY A 47 -10.321 -7.642 -0.491 1.00 0.57 N ATOM 173 CA GLY A 47 -10.733 -8.604 0.511 1.00 0.58 C ATOM 174 C GLY A 47 -10.964 -9.960 -0.109 1.00 0.57 C ATOM 175 O GLY A 47 -10.928 -10.989 0.566 1.00 0.62 O ATOM 0 H GLY A 47 -11.033 -6.956 -0.740 1.00 0.57 H new ATOM 0 HA2 GLY A 47 -9.969 -8.679 1.285 1.00 0.58 H new ATOM 0 HA3 GLY A 47 -11.647 -8.261 0.997 1.00 0.58 H new ATOM 179 N LYS A 48 -11.170 -9.950 -1.415 1.00 0.59 N ATOM 180 CA LYS A 48 -11.387 -11.159 -2.179 1.00 0.67 C ATOM 181 C LYS A 48 -10.047 -11.782 -2.563 1.00 0.65 C ATOM 182 O LYS A 48 -9.985 -12.918 -3.036 1.00 0.80 O ATOM 183 CB LYS A 48 -12.206 -10.816 -3.424 1.00 0.77 C ATOM 184 CG LYS A 48 -13.493 -10.067 -3.104 1.00 1.27 C ATOM 185 CD LYS A 48 -14.245 -9.658 -4.364 1.00 1.65 C ATOM 186 CE LYS A 48 -14.722 -10.864 -5.151 1.00 2.24 C ATOM 187 NZ LYS A 48 -15.500 -10.471 -6.354 1.00 2.99 N ATOM 0 H LYS A 48 -11.191 -9.097 -1.974 1.00 0.59 H new ATOM 0 HA LYS A 48 -11.936 -11.886 -1.580 1.00 0.67 H new ATOM 0 HB2 LYS A 48 -11.598 -10.211 -4.096 1.00 0.77 H new ATOM 0 HB3 LYS A 48 -12.450 -11.736 -3.956 1.00 0.77 H new ATOM 0 HG2 LYS A 48 -14.135 -10.696 -2.487 1.00 1.27 H new ATOM 0 HG3 LYS A 48 -13.259 -9.179 -2.517 1.00 1.27 H new ATOM 0 HD2 LYS A 48 -15.100 -9.040 -4.092 1.00 1.65 H new ATOM 0 HD3 LYS A 48 -13.597 -9.047 -4.992 1.00 1.65 H new ATOM 0 HE2 LYS A 48 -13.863 -11.462 -5.454 1.00 2.24 H new ATOM 0 HE3 LYS A 48 -15.339 -11.494 -4.510 1.00 2.24 H new ATOM 0 HZ1 LYS A 48 -15.807 -11.324 -6.863 1.00 2.99 H new ATOM 0 HZ2 LYS A 48 -16.334 -9.922 -6.064 1.00 2.99 H new ATOM 0 HZ3 LYS A 48 -14.904 -9.891 -6.979 1.00 2.99 H new ATOM 201 N ASP A 49 -8.978 -11.020 -2.343 1.00 0.61 N ATOM 202 CA ASP A 49 -7.618 -11.466 -2.646 1.00 0.70 C ATOM 203 C ASP A 49 -6.763 -11.504 -1.381 1.00 0.53 C ATOM 204 O ASP A 49 -5.547 -11.699 -1.453 1.00 0.46 O ATOM 205 CB ASP A 49 -6.955 -10.528 -3.662 1.00 0.96 C ATOM 206 CG ASP A 49 -7.515 -10.650 -5.067 1.00 1.38 C ATOM 207 OD1 ASP A 49 -7.506 -11.769 -5.624 1.00 1.80 O ATOM 208 OD2 ASP A 49 -7.933 -9.617 -5.629 1.00 1.82 O ATOM 0 H ASP A 49 -9.028 -10.080 -1.951 1.00 0.61 H new ATOM 0 HA ASP A 49 -7.688 -12.470 -3.066 1.00 0.70 H new ATOM 0 HB2 ASP A 49 -7.073 -9.499 -3.323 1.00 0.96 H new ATOM 0 HB3 ASP A 49 -5.885 -10.735 -3.688 1.00 0.96 H new ATOM 213 N LYS A 50 -7.401 -11.328 -0.223 1.00 0.52 N ATOM 214 CA LYS A 50 -6.687 -11.245 1.060 1.00 0.46 C ATOM 215 C LYS A 50 -5.745 -12.429 1.306 1.00 0.43 C ATOM 216 O LYS A 50 -4.590 -12.210 1.656 1.00 0.43 O ATOM 217 CB LYS A 50 -7.660 -11.119 2.235 1.00 0.51 C ATOM 218 CG LYS A 50 -8.348 -9.771 2.314 1.00 0.55 C ATOM 219 CD LYS A 50 -7.359 -8.635 2.524 1.00 0.74 C ATOM 220 CE LYS A 50 -6.897 -8.557 3.971 1.00 0.79 C ATOM 221 NZ LYS A 50 -6.172 -7.290 4.262 1.00 0.93 N ATOM 0 H LYS A 50 -8.414 -11.239 -0.143 1.00 0.52 H new ATOM 0 HA LYS A 50 -6.076 -10.345 0.993 1.00 0.46 H new ATOM 0 HB2 LYS A 50 -8.417 -11.899 2.154 1.00 0.51 H new ATOM 0 HB3 LYS A 50 -7.118 -11.296 3.164 1.00 0.51 H new ATOM 0 HG2 LYS A 50 -8.910 -9.597 1.396 1.00 0.55 H new ATOM 0 HG3 LYS A 50 -9.068 -9.780 3.132 1.00 0.55 H new ATOM 0 HD2 LYS A 50 -6.496 -8.777 1.873 1.00 0.74 H new ATOM 0 HD3 LYS A 50 -7.822 -7.691 2.238 1.00 0.74 H new ATOM 0 HE2 LYS A 50 -7.760 -8.639 4.631 1.00 0.79 H new ATOM 0 HE3 LYS A 50 -6.247 -9.404 4.189 1.00 0.79 H new ATOM 0 HZ1 LYS A 50 -6.159 -7.126 5.289 1.00 0.93 H new ATOM 0 HZ2 LYS A 50 -5.196 -7.360 3.910 1.00 0.93 H new ATOM 0 HZ3 LYS A 50 -6.654 -6.498 3.791 1.00 0.93 H new ATOM 235 N PRO A 51 -6.207 -13.696 1.143 1.00 0.46 N ATOM 236 CA PRO A 51 -5.361 -14.882 1.356 1.00 0.48 C ATOM 237 C PRO A 51 -4.049 -14.808 0.581 1.00 0.42 C ATOM 238 O PRO A 51 -2.995 -15.190 1.087 1.00 0.44 O ATOM 239 CB PRO A 51 -6.218 -16.045 0.830 1.00 0.57 C ATOM 240 CG PRO A 51 -7.326 -15.400 0.071 1.00 0.54 C ATOM 241 CD PRO A 51 -7.567 -14.088 0.750 1.00 0.51 C ATOM 0 HA PRO A 51 -5.075 -14.985 2.403 1.00 0.48 H new ATOM 0 HB2 PRO A 51 -5.634 -16.706 0.189 1.00 0.57 H new ATOM 0 HB3 PRO A 51 -6.603 -16.653 1.649 1.00 0.57 H new ATOM 0 HG2 PRO A 51 -7.053 -15.256 -0.975 1.00 0.54 H new ATOM 0 HG3 PRO A 51 -8.223 -16.019 0.084 1.00 0.54 H new ATOM 0 HD2 PRO A 51 -8.025 -13.360 0.081 1.00 0.51 H new ATOM 0 HD3 PRO A 51 -8.228 -14.189 1.611 1.00 0.51 H new ATOM 249 N THR A 52 -4.118 -14.286 -0.636 1.00 0.39 N ATOM 250 CA THR A 52 -2.942 -14.170 -1.483 1.00 0.41 C ATOM 251 C THR A 52 -2.006 -13.094 -0.937 1.00 0.35 C ATOM 252 O THR A 52 -0.782 -13.281 -0.846 1.00 0.38 O ATOM 253 CB THR A 52 -3.345 -13.819 -2.929 1.00 0.51 C ATOM 254 OG1 THR A 52 -4.383 -14.707 -3.374 1.00 0.67 O ATOM 255 CG2 THR A 52 -2.152 -13.916 -3.870 1.00 0.56 C ATOM 0 H THR A 52 -4.978 -13.936 -1.058 1.00 0.39 H new ATOM 0 HA THR A 52 -2.427 -15.131 -1.485 1.00 0.41 H new ATOM 0 HB THR A 52 -3.709 -12.792 -2.941 1.00 0.51 H new ATOM 0 HG1 THR A 52 -4.637 -14.479 -4.293 1.00 0.67 H new ATOM 0 HG21 THR A 52 -2.466 -13.663 -4.883 1.00 0.56 H new ATOM 0 HG22 THR A 52 -1.376 -13.222 -3.547 1.00 0.56 H new ATOM 0 HG23 THR A 52 -1.759 -14.932 -3.855 1.00 0.56 H new ATOM 263 N TYR A 53 -2.599 -11.980 -0.523 1.00 0.33 N ATOM 264 CA TYR A 53 -1.833 -10.864 0.011 1.00 0.37 C ATOM 265 C TYR A 53 -1.261 -11.234 1.376 1.00 0.32 C ATOM 266 O TYR A 53 -0.265 -10.673 1.818 1.00 0.35 O ATOM 267 CB TYR A 53 -2.710 -9.613 0.142 1.00 0.48 C ATOM 268 CG TYR A 53 -3.339 -9.126 -1.155 1.00 0.57 C ATOM 269 CD1 TYR A 53 -2.854 -9.573 -2.374 1.00 0.67 C ATOM 270 CD2 TYR A 53 -4.414 -8.240 -1.165 1.00 0.65 C ATOM 271 CE1 TYR A 53 -3.413 -9.160 -3.567 1.00 0.76 C ATOM 272 CE2 TYR A 53 -4.983 -7.822 -2.361 1.00 0.76 C ATOM 273 CZ TYR A 53 -4.511 -8.181 -3.505 1.00 0.81 C ATOM 274 OH TYR A 53 -5.037 -7.883 -4.759 1.00 0.92 O ATOM 0 H TYR A 53 -3.607 -11.827 -0.548 1.00 0.33 H new ATOM 0 HA TYR A 53 -1.018 -10.646 -0.680 1.00 0.37 H new ATOM 0 HB2 TYR A 53 -3.505 -9.819 0.858 1.00 0.48 H new ATOM 0 HB3 TYR A 53 -2.106 -8.807 0.560 1.00 0.48 H new ATOM 0 HD1 TYR A 53 -2.020 -10.260 -2.391 1.00 0.67 H new ATOM 0 HD2 TYR A 53 -4.810 -7.873 -0.230 1.00 0.65 H new ATOM 0 HE1 TYR A 53 -3.057 -9.542 -4.513 1.00 0.76 H new ATOM 0 HE2 TYR A 53 -5.848 -7.176 -2.331 1.00 0.76 H new ATOM 0 HH TYR A 53 -5.762 -7.231 -4.663 1.00 0.92 H new ATOM 284 N ASP A 54 -1.894 -12.209 2.021 1.00 0.32 N ATOM 285 CA ASP A 54 -1.412 -12.733 3.293 1.00 0.40 C ATOM 286 C ASP A 54 -0.185 -13.595 3.070 1.00 0.43 C ATOM 287 O ASP A 54 0.806 -13.481 3.793 1.00 0.49 O ATOM 288 CB ASP A 54 -2.507 -13.550 3.986 1.00 0.50 C ATOM 289 CG ASP A 54 -2.028 -14.234 5.252 1.00 1.22 C ATOM 290 OD1 ASP A 54 -1.916 -13.553 6.292 1.00 1.46 O ATOM 291 OD2 ASP A 54 -1.744 -15.446 5.205 1.00 1.86 O ATOM 0 H ASP A 54 -2.747 -12.654 1.681 1.00 0.32 H new ATOM 0 HA ASP A 54 -1.145 -11.893 3.935 1.00 0.40 H new ATOM 0 HB2 ASP A 54 -3.343 -12.894 4.229 1.00 0.50 H new ATOM 0 HB3 ASP A 54 -2.883 -14.303 3.294 1.00 0.50 H new ATOM 296 N GLU A 55 -0.252 -14.440 2.047 1.00 0.43 N ATOM 297 CA GLU A 55 0.858 -15.306 1.687 1.00 0.52 C ATOM 298 C GLU A 55 2.115 -14.496 1.380 1.00 0.52 C ATOM 299 O GLU A 55 3.230 -14.943 1.646 1.00 0.70 O ATOM 300 CB GLU A 55 0.480 -16.165 0.487 1.00 0.57 C ATOM 301 CG GLU A 55 -0.526 -17.265 0.808 1.00 1.01 C ATOM 302 CD GLU A 55 -0.942 -18.062 -0.412 1.00 1.39 C ATOM 303 OE1 GLU A 55 -0.169 -18.940 -0.849 1.00 1.90 O ATOM 304 OE2 GLU A 55 -2.040 -17.806 -0.956 1.00 2.00 O ATOM 0 H GLU A 55 -1.072 -14.542 1.449 1.00 0.43 H new ATOM 0 HA GLU A 55 1.074 -15.952 2.538 1.00 0.52 H new ATOM 0 HB2 GLU A 55 0.066 -15.523 -0.291 1.00 0.57 H new ATOM 0 HB3 GLU A 55 1.383 -16.619 0.079 1.00 0.57 H new ATOM 0 HG2 GLU A 55 -0.094 -17.940 1.546 1.00 1.01 H new ATOM 0 HG3 GLU A 55 -1.411 -16.819 1.263 1.00 1.01 H new ATOM 311 N ILE A 56 1.932 -13.306 0.818 1.00 0.40 N ATOM 312 CA ILE A 56 3.062 -12.426 0.534 1.00 0.42 C ATOM 313 C ILE A 56 3.420 -11.591 1.772 1.00 0.40 C ATOM 314 O ILE A 56 4.549 -11.123 1.922 1.00 0.52 O ATOM 315 CB ILE A 56 2.750 -11.483 -0.654 1.00 0.44 C ATOM 316 CG1 ILE A 56 2.177 -12.284 -1.832 1.00 0.47 C ATOM 317 CG2 ILE A 56 4.000 -10.718 -1.089 1.00 0.53 C ATOM 318 CD1 ILE A 56 1.766 -11.430 -3.013 1.00 0.52 C ATOM 0 H ILE A 56 1.022 -12.930 0.552 1.00 0.40 H new ATOM 0 HA ILE A 56 3.911 -13.055 0.267 1.00 0.42 H new ATOM 0 HB ILE A 56 2.006 -10.757 -0.326 1.00 0.44 H new ATOM 0 HG12 ILE A 56 2.921 -13.009 -2.162 1.00 0.47 H new ATOM 0 HG13 ILE A 56 1.312 -12.850 -1.487 1.00 0.47 H new ATOM 0 HG21 ILE A 56 3.753 -10.063 -1.925 1.00 0.53 H new ATOM 0 HG22 ILE A 56 4.369 -10.120 -0.256 1.00 0.53 H new ATOM 0 HG23 ILE A 56 4.770 -11.425 -1.397 1.00 0.53 H new ATOM 0 HD11 ILE A 56 1.372 -12.068 -3.804 1.00 0.52 H new ATOM 0 HD12 ILE A 56 0.998 -10.722 -2.701 1.00 0.52 H new ATOM 0 HD13 ILE A 56 2.632 -10.884 -3.386 1.00 0.52 H new ATOM 330 N PHE A 57 2.458 -11.430 2.671 1.00 0.31 N ATOM 331 CA PHE A 57 2.627 -10.582 3.848 1.00 0.31 C ATOM 332 C PHE A 57 3.455 -11.268 4.934 1.00 0.35 C ATOM 333 O PHE A 57 4.466 -10.729 5.381 1.00 0.40 O ATOM 334 CB PHE A 57 1.254 -10.190 4.406 1.00 0.29 C ATOM 335 CG PHE A 57 1.303 -9.388 5.673 1.00 0.31 C ATOM 336 CD1 PHE A 57 1.620 -8.039 5.643 1.00 0.32 C ATOM 337 CD2 PHE A 57 1.044 -9.983 6.891 1.00 0.40 C ATOM 338 CE1 PHE A 57 1.675 -7.300 6.807 1.00 0.36 C ATOM 339 CE2 PHE A 57 1.100 -9.251 8.062 1.00 0.43 C ATOM 340 CZ PHE A 57 1.373 -7.897 8.015 1.00 0.40 C ATOM 0 H PHE A 57 1.544 -11.879 2.608 1.00 0.31 H new ATOM 0 HA PHE A 57 3.169 -9.689 3.538 1.00 0.31 H new ATOM 0 HB2 PHE A 57 0.718 -9.617 3.649 1.00 0.29 H new ATOM 0 HB3 PHE A 57 0.677 -11.097 4.587 1.00 0.29 H new ATOM 0 HD1 PHE A 57 1.826 -7.560 4.697 1.00 0.32 H new ATOM 0 HD2 PHE A 57 0.795 -11.033 6.930 1.00 0.40 H new ATOM 0 HE1 PHE A 57 1.954 -6.257 6.773 1.00 0.36 H new ATOM 0 HE2 PHE A 57 0.931 -9.736 9.012 1.00 0.43 H new ATOM 0 HZ PHE A 57 1.350 -7.308 8.920 1.00 0.40 H new ATOM 350 N TYR A 58 3.029 -12.458 5.361 1.00 0.35 N ATOM 351 CA TYR A 58 3.665 -13.112 6.503 1.00 0.41 C ATOM 352 C TYR A 58 5.072 -13.601 6.157 1.00 0.43 C ATOM 353 O TYR A 58 5.879 -13.866 7.049 1.00 0.46 O ATOM 354 CB TYR A 58 2.808 -14.269 7.048 1.00 0.50 C ATOM 355 CG TYR A 58 2.838 -15.518 6.210 1.00 0.91 C ATOM 356 CD1 TYR A 58 3.823 -16.470 6.389 1.00 1.50 C ATOM 357 CD2 TYR A 58 1.875 -15.740 5.241 1.00 1.23 C ATOM 358 CE1 TYR A 58 3.850 -17.621 5.632 1.00 2.18 C ATOM 359 CE2 TYR A 58 1.890 -16.886 4.472 1.00 1.92 C ATOM 360 CZ TYR A 58 2.909 -17.811 4.655 1.00 2.35 C ATOM 361 OH TYR A 58 2.898 -18.977 3.927 1.00 3.08 O ATOM 0 H TYR A 58 2.260 -12.980 4.941 1.00 0.35 H new ATOM 0 HA TYR A 58 3.751 -12.362 7.289 1.00 0.41 H new ATOM 0 HB2 TYR A 58 3.149 -14.514 8.054 1.00 0.50 H new ATOM 0 HB3 TYR A 58 1.776 -13.930 7.135 1.00 0.50 H new ATOM 0 HD1 TYR A 58 4.586 -16.309 7.136 1.00 1.50 H new ATOM 0 HD2 TYR A 58 1.100 -15.005 5.084 1.00 1.23 H new ATOM 0 HE1 TYR A 58 4.609 -18.369 5.808 1.00 2.18 H new ATOM 0 HE2 TYR A 58 1.118 -17.061 3.737 1.00 1.92 H new ATOM 0 HH TYR A 58 2.166 -18.950 3.276 1.00 3.08 H new ATOM 371 N THR A 59 5.371 -13.697 4.865 1.00 0.44 N ATOM 372 CA THR A 59 6.688 -14.122 4.411 1.00 0.48 C ATOM 373 C THR A 59 7.733 -13.040 4.669 1.00 0.42 C ATOM 374 O THR A 59 8.938 -13.284 4.579 1.00 0.45 O ATOM 375 CB THR A 59 6.668 -14.486 2.914 1.00 0.59 C ATOM 376 OG1 THR A 59 5.847 -13.555 2.199 1.00 0.63 O ATOM 377 CG2 THR A 59 6.133 -15.891 2.717 1.00 0.75 C ATOM 0 H THR A 59 4.716 -13.485 4.113 1.00 0.44 H new ATOM 0 HA THR A 59 6.958 -15.011 4.982 1.00 0.48 H new ATOM 0 HB THR A 59 7.688 -14.441 2.531 1.00 0.59 H new ATOM 0 HG1 THR A 59 4.982 -13.969 1.997 1.00 0.63 H new ATOM 0 HG21 THR A 59 6.126 -16.132 1.654 1.00 0.75 H new ATOM 0 HG22 THR A 59 6.770 -16.600 3.245 1.00 0.75 H new ATOM 0 HG23 THR A 59 5.118 -15.952 3.110 1.00 0.75 H new ATOM 385 N LEU A 60 7.257 -11.845 4.997 1.00 0.37 N ATOM 386 CA LEU A 60 8.131 -10.725 5.297 1.00 0.38 C ATOM 387 C LEU A 60 8.266 -10.537 6.804 1.00 0.41 C ATOM 388 O LEU A 60 8.737 -9.501 7.270 1.00 0.56 O ATOM 389 CB LEU A 60 7.591 -9.452 4.645 1.00 0.40 C ATOM 390 CG LEU A 60 7.536 -9.487 3.116 1.00 0.52 C ATOM 391 CD1 LEU A 60 7.000 -8.173 2.568 1.00 1.26 C ATOM 392 CD2 LEU A 60 8.918 -9.780 2.557 1.00 1.25 C ATOM 0 H LEU A 60 6.262 -11.629 5.061 1.00 0.37 H new ATOM 0 HA LEU A 60 9.120 -10.936 4.891 1.00 0.38 H new ATOM 0 HB2 LEU A 60 6.588 -9.263 5.026 1.00 0.40 H new ATOM 0 HB3 LEU A 60 8.213 -8.611 4.953 1.00 0.40 H new ATOM 0 HG LEU A 60 6.857 -10.281 2.806 1.00 0.52 H new ATOM 0 HD11 LEU A 60 6.969 -8.218 1.479 1.00 1.26 H new ATOM 0 HD12 LEU A 60 5.995 -8.001 2.953 1.00 1.26 H new ATOM 0 HD13 LEU A 60 7.652 -7.356 2.879 1.00 1.26 H new ATOM 0 HD21 LEU A 60 8.873 -9.804 1.468 1.00 1.25 H new ATOM 0 HD22 LEU A 60 9.611 -9.001 2.874 1.00 1.25 H new ATOM 0 HD23 LEU A 60 9.263 -10.746 2.927 1.00 1.25 H new ATOM 404 N SER A 61 7.846 -11.559 7.550 1.00 0.36 N ATOM 405 CA SER A 61 7.944 -11.571 9.007 1.00 0.41 C ATOM 406 C SER A 61 7.063 -10.489 9.627 1.00 0.40 C ATOM 407 O SER A 61 7.491 -9.354 9.833 1.00 0.50 O ATOM 408 CB SER A 61 9.402 -11.415 9.456 1.00 0.55 C ATOM 409 OG SER A 61 10.204 -12.439 8.891 1.00 1.11 O ATOM 0 H SER A 61 7.428 -12.403 7.159 1.00 0.36 H new ATOM 0 HA SER A 61 7.582 -12.537 9.360 1.00 0.41 H new ATOM 0 HB2 SER A 61 9.780 -10.439 9.153 1.00 0.55 H new ATOM 0 HB3 SER A 61 9.461 -11.456 10.544 1.00 0.55 H new ATOM 0 HG SER A 61 11.132 -12.327 9.184 1.00 1.11 H new ATOM 415 N PRO A 62 5.797 -10.832 9.900 1.00 0.37 N ATOM 416 CA PRO A 62 4.854 -9.912 10.521 1.00 0.42 C ATOM 417 C PRO A 62 5.128 -9.716 12.012 1.00 0.47 C ATOM 418 O PRO A 62 4.741 -10.538 12.843 1.00 0.69 O ATOM 419 CB PRO A 62 3.497 -10.580 10.298 1.00 0.50 C ATOM 420 CG PRO A 62 3.779 -12.025 10.110 1.00 0.51 C ATOM 421 CD PRO A 62 5.194 -12.143 9.605 1.00 0.38 C ATOM 0 HA PRO A 62 4.919 -8.912 10.092 1.00 0.42 H new ATOM 0 HB2 PRO A 62 2.838 -10.419 11.151 1.00 0.50 H new ATOM 0 HB3 PRO A 62 2.996 -10.163 9.424 1.00 0.50 H new ATOM 0 HG2 PRO A 62 3.660 -12.565 11.049 1.00 0.51 H new ATOM 0 HG3 PRO A 62 3.079 -12.464 9.399 1.00 0.51 H new ATOM 0 HD2 PRO A 62 5.729 -12.949 10.107 1.00 0.38 H new ATOM 0 HD3 PRO A 62 5.218 -12.361 8.537 1.00 0.38 H new ATOM 429 N VAL A 63 5.807 -8.627 12.345 1.00 0.39 N ATOM 430 CA VAL A 63 6.148 -8.328 13.728 1.00 0.48 C ATOM 431 C VAL A 63 5.038 -7.503 14.364 1.00 0.42 C ATOM 432 O VAL A 63 4.741 -6.400 13.911 1.00 0.41 O ATOM 433 CB VAL A 63 7.486 -7.560 13.833 1.00 0.60 C ATOM 434 CG1 VAL A 63 7.856 -7.308 15.288 1.00 1.43 C ATOM 435 CG2 VAL A 63 8.597 -8.323 13.130 1.00 1.14 C ATOM 0 H VAL A 63 6.134 -7.933 11.672 1.00 0.39 H new ATOM 0 HA VAL A 63 6.260 -9.275 14.256 1.00 0.48 H new ATOM 0 HB VAL A 63 7.360 -6.596 13.341 1.00 0.60 H new ATOM 0 HG11 VAL A 63 8.801 -6.766 15.335 1.00 1.43 H new ATOM 0 HG12 VAL A 63 7.075 -6.716 15.765 1.00 1.43 H new ATOM 0 HG13 VAL A 63 7.958 -8.261 15.808 1.00 1.43 H new ATOM 0 HG21 VAL A 63 9.531 -7.767 13.215 1.00 1.14 H new ATOM 0 HG22 VAL A 63 8.715 -9.303 13.593 1.00 1.14 H new ATOM 0 HG23 VAL A 63 8.343 -8.448 12.077 1.00 1.14 H new ATOM 445 N ASN A 64 4.406 -8.063 15.391 1.00 0.47 N ATOM 446 CA ASN A 64 3.289 -7.409 16.081 1.00 0.50 C ATOM 447 C ASN A 64 2.129 -7.155 15.119 1.00 0.52 C ATOM 448 O ASN A 64 1.280 -6.296 15.356 1.00 0.68 O ATOM 449 CB ASN A 64 3.743 -6.089 16.727 1.00 0.57 C ATOM 450 CG ASN A 64 4.707 -6.307 17.881 1.00 1.25 C ATOM 451 OD1 ASN A 64 4.634 -7.317 18.586 1.00 2.15 O ATOM 452 ND2 ASN A 64 5.609 -5.357 18.090 1.00 1.72 N ATOM 0 H ASN A 64 4.649 -8.978 15.770 1.00 0.47 H new ATOM 0 HA ASN A 64 2.944 -8.079 16.869 1.00 0.50 H new ATOM 0 HB2 ASN A 64 4.220 -5.464 15.972 1.00 0.57 H new ATOM 0 HB3 ASN A 64 2.869 -5.544 17.085 1.00 0.57 H new ATOM 0 HD21 ASN A 64 6.276 -5.446 18.857 1.00 1.72 H new ATOM 0 HD22 ASN A 64 5.636 -4.537 17.484 1.00 1.72 H new ATOM 459 N GLY A 65 2.088 -7.928 14.040 1.00 0.46 N ATOM 460 CA GLY A 65 1.008 -7.803 13.080 1.00 0.55 C ATOM 461 C GLY A 65 1.248 -6.715 12.044 1.00 0.45 C ATOM 462 O GLY A 65 0.324 -6.310 11.341 1.00 0.62 O ATOM 0 H GLY A 65 2.783 -8.639 13.813 1.00 0.46 H new ATOM 0 HA2 GLY A 65 0.872 -8.757 12.570 1.00 0.55 H new ATOM 0 HA3 GLY A 65 0.081 -7.591 13.612 1.00 0.55 H new ATOM 466 N LYS A 66 2.479 -6.229 11.943 1.00 0.32 N ATOM 467 CA LYS A 66 2.804 -5.200 10.961 1.00 0.35 C ATOM 468 C LYS A 66 4.240 -5.390 10.482 1.00 0.27 C ATOM 469 O LYS A 66 5.161 -5.474 11.291 1.00 0.42 O ATOM 470 CB LYS A 66 2.613 -3.810 11.589 1.00 0.58 C ATOM 471 CG LYS A 66 2.302 -2.699 10.594 1.00 0.74 C ATOM 472 CD LYS A 66 2.037 -1.378 11.310 1.00 0.90 C ATOM 473 CE LYS A 66 1.669 -0.258 10.347 1.00 1.52 C ATOM 474 NZ LYS A 66 0.368 -0.492 9.666 1.00 2.24 N ATOM 0 H LYS A 66 3.263 -6.527 12.523 1.00 0.32 H new ATOM 0 HA LYS A 66 2.139 -5.283 10.102 1.00 0.35 H new ATOM 0 HB2 LYS A 66 1.804 -3.864 12.318 1.00 0.58 H new ATOM 0 HB3 LYS A 66 3.518 -3.546 12.136 1.00 0.58 H new ATOM 0 HG2 LYS A 66 3.137 -2.581 9.904 1.00 0.74 H new ATOM 0 HG3 LYS A 66 1.432 -2.974 9.998 1.00 0.74 H new ATOM 0 HD2 LYS A 66 1.230 -1.514 12.030 1.00 0.90 H new ATOM 0 HD3 LYS A 66 2.923 -1.090 11.875 1.00 0.90 H new ATOM 0 HE2 LYS A 66 1.625 0.685 10.892 1.00 1.52 H new ATOM 0 HE3 LYS A 66 2.454 -0.156 9.597 1.00 1.52 H new ATOM 0 HZ1 LYS A 66 0.237 0.215 8.915 1.00 2.24 H new ATOM 0 HZ2 LYS A 66 0.361 -1.445 9.249 1.00 2.24 H new ATOM 0 HZ3 LYS A 66 -0.405 -0.411 10.357 1.00 2.24 H new ATOM 488 N ILE A 67 4.432 -5.479 9.173 1.00 0.24 N ATOM 489 CA ILE A 67 5.766 -5.709 8.628 1.00 0.24 C ATOM 490 C ILE A 67 6.526 -4.398 8.506 1.00 0.28 C ATOM 491 O ILE A 67 5.937 -3.344 8.235 1.00 0.31 O ATOM 492 CB ILE A 67 5.736 -6.419 7.254 1.00 0.24 C ATOM 493 CG1 ILE A 67 4.930 -5.605 6.239 1.00 0.25 C ATOM 494 CG2 ILE A 67 5.173 -7.828 7.394 1.00 0.26 C ATOM 495 CD1 ILE A 67 4.917 -6.202 4.851 1.00 0.28 C ATOM 0 H ILE A 67 3.693 -5.397 8.475 1.00 0.24 H new ATOM 0 HA ILE A 67 6.277 -6.370 9.329 1.00 0.24 H new ATOM 0 HB ILE A 67 6.759 -6.496 6.884 1.00 0.24 H new ATOM 0 HG12 ILE A 67 3.904 -5.513 6.594 1.00 0.25 H new ATOM 0 HG13 ILE A 67 5.341 -4.597 6.187 1.00 0.25 H new ATOM 0 HG21 ILE A 67 5.159 -8.313 6.418 1.00 0.26 H new ATOM 0 HG22 ILE A 67 5.799 -8.404 8.076 1.00 0.26 H new ATOM 0 HG23 ILE A 67 4.158 -7.777 7.788 1.00 0.26 H new ATOM 0 HD11 ILE A 67 4.326 -5.569 4.188 1.00 0.28 H new ATOM 0 HD12 ILE A 67 5.938 -6.269 4.474 1.00 0.28 H new ATOM 0 HD13 ILE A 67 4.478 -7.199 4.888 1.00 0.28 H new ATOM 507 N THR A 68 7.830 -4.468 8.710 1.00 0.33 N ATOM 508 CA THR A 68 8.670 -3.288 8.680 1.00 0.38 C ATOM 509 C THR A 68 9.008 -2.885 7.250 1.00 0.39 C ATOM 510 O THR A 68 8.928 -3.702 6.325 1.00 0.46 O ATOM 511 CB THR A 68 9.967 -3.516 9.477 1.00 0.44 C ATOM 512 OG1 THR A 68 10.678 -4.646 8.957 1.00 0.52 O ATOM 513 CG2 THR A 68 9.652 -3.746 10.945 1.00 0.42 C ATOM 0 H THR A 68 8.331 -5.336 8.899 1.00 0.33 H new ATOM 0 HA THR A 68 8.108 -2.478 9.144 1.00 0.38 H new ATOM 0 HB THR A 68 10.589 -2.626 9.381 1.00 0.44 H new ATOM 0 HG1 THR A 68 11.501 -4.779 9.471 1.00 0.52 H new ATOM 0 HG21 THR A 68 10.579 -3.906 11.495 1.00 0.42 H new ATOM 0 HG22 THR A 68 9.137 -2.874 11.348 1.00 0.42 H new ATOM 0 HG23 THR A 68 9.014 -4.624 11.047 1.00 0.42 H new ATOM 521 N GLY A 69 9.396 -1.627 7.077 1.00 0.38 N ATOM 522 CA GLY A 69 9.696 -1.110 5.756 1.00 0.38 C ATOM 523 C GLY A 69 10.887 -1.789 5.116 1.00 0.36 C ATOM 524 O GLY A 69 11.025 -1.781 3.898 1.00 0.37 O ATOM 0 H GLY A 69 9.509 -0.952 7.834 1.00 0.38 H new ATOM 0 HA2 GLY A 69 8.824 -1.237 5.115 1.00 0.38 H new ATOM 0 HA3 GLY A 69 9.888 -0.039 5.825 1.00 0.38 H new ATOM 528 N ALA A 70 11.747 -2.381 5.936 1.00 0.36 N ATOM 529 CA ALA A 70 12.908 -3.104 5.434 1.00 0.37 C ATOM 530 C ALA A 70 12.492 -4.289 4.568 1.00 0.34 C ATOM 531 O ALA A 70 12.962 -4.456 3.438 1.00 0.33 O ATOM 532 CB ALA A 70 13.773 -3.576 6.592 1.00 0.40 C ATOM 0 H ALA A 70 11.662 -2.374 6.952 1.00 0.36 H new ATOM 0 HA ALA A 70 13.487 -2.421 4.812 1.00 0.37 H new ATOM 0 HB1 ALA A 70 14.637 -4.115 6.204 1.00 0.40 H new ATOM 0 HB2 ALA A 70 14.111 -2.715 7.168 1.00 0.40 H new ATOM 0 HB3 ALA A 70 13.192 -4.237 7.235 1.00 0.40 H new ATOM 538 N ASN A 71 11.582 -5.088 5.096 1.00 0.40 N ATOM 539 CA ASN A 71 11.158 -6.309 4.430 1.00 0.47 C ATOM 540 C ASN A 71 10.274 -6.002 3.229 1.00 0.36 C ATOM 541 O ASN A 71 10.372 -6.654 2.193 1.00 0.33 O ATOM 542 CB ASN A 71 10.430 -7.217 5.416 1.00 0.64 C ATOM 543 CG ASN A 71 11.354 -7.715 6.510 1.00 0.80 C ATOM 544 OD1 ASN A 71 11.976 -8.769 6.381 1.00 1.73 O ATOM 545 ND2 ASN A 71 11.451 -6.966 7.597 1.00 0.58 N ATOM 0 H ASN A 71 11.120 -4.913 5.988 1.00 0.40 H new ATOM 0 HA ASN A 71 12.045 -6.826 4.064 1.00 0.47 H new ATOM 0 HB2 ASN A 71 9.597 -6.675 5.863 1.00 0.64 H new ATOM 0 HB3 ASN A 71 10.007 -8.068 4.882 1.00 0.64 H new ATOM 0 HD21 ASN A 71 12.057 -7.257 8.364 1.00 0.58 H new ATOM 0 HD22 ASN A 71 10.920 -6.098 7.667 1.00 0.58 H new ATOM 552 N ALA A 72 9.422 -5.004 3.353 1.00 0.35 N ATOM 553 CA ALA A 72 8.601 -4.594 2.231 1.00 0.30 C ATOM 554 C ALA A 72 9.477 -3.963 1.150 1.00 0.29 C ATOM 555 O ALA A 72 9.193 -4.082 -0.040 1.00 0.30 O ATOM 556 CB ALA A 72 7.503 -3.651 2.690 1.00 0.36 C ATOM 0 H ALA A 72 9.281 -4.467 4.209 1.00 0.35 H new ATOM 0 HA ALA A 72 8.115 -5.470 1.801 1.00 0.30 H new ATOM 0 HB1 ALA A 72 6.897 -3.354 1.834 1.00 0.36 H new ATOM 0 HB2 ALA A 72 6.873 -4.155 3.423 1.00 0.36 H new ATOM 0 HB3 ALA A 72 7.949 -2.766 3.143 1.00 0.36 H new ATOM 562 N LYS A 73 10.568 -3.322 1.567 1.00 0.28 N ATOM 563 CA LYS A 73 11.523 -2.755 0.621 1.00 0.31 C ATOM 564 C LYS A 73 12.153 -3.853 -0.234 1.00 0.31 C ATOM 565 O LYS A 73 12.194 -3.737 -1.461 1.00 0.34 O ATOM 566 CB LYS A 73 12.621 -1.957 1.339 1.00 0.35 C ATOM 567 CG LYS A 73 13.668 -1.375 0.399 1.00 0.39 C ATOM 568 CD LYS A 73 14.778 -0.653 1.160 1.00 0.53 C ATOM 569 CE LYS A 73 14.274 0.631 1.810 1.00 0.61 C ATOM 570 NZ LYS A 73 15.361 1.398 2.478 1.00 0.54 N ATOM 0 H LYS A 73 10.810 -3.184 2.548 1.00 0.28 H new ATOM 0 HA LYS A 73 10.973 -2.072 -0.026 1.00 0.31 H new ATOM 0 HB2 LYS A 73 12.159 -1.146 1.902 1.00 0.35 H new ATOM 0 HB3 LYS A 73 13.115 -2.605 2.062 1.00 0.35 H new ATOM 0 HG2 LYS A 73 14.101 -2.175 -0.202 1.00 0.39 H new ATOM 0 HG3 LYS A 73 13.190 -0.680 -0.291 1.00 0.39 H new ATOM 0 HD2 LYS A 73 15.183 -1.314 1.926 1.00 0.53 H new ATOM 0 HD3 LYS A 73 15.595 -0.419 0.477 1.00 0.53 H new ATOM 0 HE2 LYS A 73 13.805 1.258 1.052 1.00 0.61 H new ATOM 0 HE3 LYS A 73 13.504 0.386 2.542 1.00 0.61 H new ATOM 0 HZ1 LYS A 73 14.983 2.301 2.830 1.00 0.54 H new ATOM 0 HZ2 LYS A 73 15.736 0.846 3.275 1.00 0.54 H new ATOM 0 HZ3 LYS A 73 16.124 1.584 1.796 1.00 0.54 H new ATOM 584 N LYS A 74 12.636 -4.924 0.406 1.00 0.32 N ATOM 585 CA LYS A 74 13.267 -6.010 -0.339 1.00 0.36 C ATOM 586 C LYS A 74 12.264 -6.706 -1.250 1.00 0.34 C ATOM 587 O LYS A 74 12.618 -7.163 -2.332 1.00 0.37 O ATOM 588 CB LYS A 74 13.989 -7.014 0.581 1.00 0.43 C ATOM 589 CG LYS A 74 13.140 -7.667 1.665 1.00 0.90 C ATOM 590 CD LYS A 74 12.199 -8.748 1.136 1.00 1.04 C ATOM 591 CE LYS A 74 12.937 -9.898 0.476 1.00 1.26 C ATOM 592 NZ LYS A 74 12.000 -10.926 -0.052 1.00 2.24 N ATOM 0 H LYS A 74 12.602 -5.058 1.417 1.00 0.32 H new ATOM 0 HA LYS A 74 14.035 -5.560 -0.968 1.00 0.36 H new ATOM 0 HB2 LYS A 74 14.416 -7.801 -0.040 1.00 0.43 H new ATOM 0 HB3 LYS A 74 14.822 -6.500 1.061 1.00 0.43 H new ATOM 0 HG2 LYS A 74 13.798 -8.105 2.415 1.00 0.90 H new ATOM 0 HG3 LYS A 74 12.552 -6.898 2.166 1.00 0.90 H new ATOM 0 HD2 LYS A 74 11.597 -9.133 1.959 1.00 1.04 H new ATOM 0 HD3 LYS A 74 11.510 -8.304 0.417 1.00 1.04 H new ATOM 0 HE2 LYS A 74 13.553 -9.515 -0.338 1.00 1.26 H new ATOM 0 HE3 LYS A 74 13.612 -10.358 1.197 1.00 1.26 H new ATOM 0 HZ1 LYS A 74 12.542 -11.695 -0.495 1.00 2.24 H new ATOM 0 HZ2 LYS A 74 11.430 -11.310 0.729 1.00 2.24 H new ATOM 0 HZ3 LYS A 74 11.372 -10.493 -0.759 1.00 2.24 H new ATOM 606 N GLU A 75 11.008 -6.757 -0.833 1.00 0.32 N ATOM 607 CA GLU A 75 9.986 -7.413 -1.628 1.00 0.33 C ATOM 608 C GLU A 75 9.742 -6.626 -2.913 1.00 0.31 C ATOM 609 O GLU A 75 9.690 -7.191 -4.014 1.00 0.37 O ATOM 610 CB GLU A 75 8.691 -7.538 -0.827 1.00 0.36 C ATOM 611 CG GLU A 75 7.715 -8.534 -1.422 1.00 0.40 C ATOM 612 CD GLU A 75 8.291 -9.938 -1.454 1.00 0.44 C ATOM 613 OE1 GLU A 75 8.943 -10.305 -2.451 1.00 0.82 O ATOM 614 OE2 GLU A 75 8.075 -10.696 -0.484 1.00 0.76 O ATOM 0 H GLU A 75 10.676 -6.355 0.044 1.00 0.32 H new ATOM 0 HA GLU A 75 10.329 -8.414 -1.888 1.00 0.33 H new ATOM 0 HB2 GLU A 75 8.930 -7.838 0.193 1.00 0.36 H new ATOM 0 HB3 GLU A 75 8.212 -6.561 -0.768 1.00 0.36 H new ATOM 0 HG2 GLU A 75 6.794 -8.532 -0.839 1.00 0.40 H new ATOM 0 HG3 GLU A 75 7.453 -8.226 -2.434 1.00 0.40 H new ATOM 621 N MET A 76 9.637 -5.314 -2.764 1.00 0.28 N ATOM 622 CA MET A 76 9.365 -4.428 -3.887 1.00 0.31 C ATOM 623 C MET A 76 10.509 -4.435 -4.896 1.00 0.33 C ATOM 624 O MET A 76 10.282 -4.549 -6.100 1.00 0.38 O ATOM 625 CB MET A 76 9.119 -3.004 -3.394 1.00 0.40 C ATOM 626 CG MET A 76 7.651 -2.651 -3.189 1.00 0.65 C ATOM 627 SD MET A 76 6.818 -3.709 -1.986 1.00 1.04 S ATOM 628 CE MET A 76 5.248 -2.866 -1.827 1.00 0.63 C ATOM 0 H MET A 76 9.737 -4.836 -1.869 1.00 0.28 H new ATOM 0 HA MET A 76 8.469 -4.797 -4.387 1.00 0.31 H new ATOM 0 HB2 MET A 76 9.649 -2.863 -2.452 1.00 0.40 H new ATOM 0 HB3 MET A 76 9.551 -2.305 -4.110 1.00 0.40 H new ATOM 0 HG2 MET A 76 7.577 -1.614 -2.862 1.00 0.65 H new ATOM 0 HG3 MET A 76 7.131 -2.722 -4.145 1.00 0.65 H new ATOM 0 HE1 MET A 76 5.073 -2.618 -0.780 1.00 0.63 H new ATOM 0 HE2 MET A 76 5.265 -1.951 -2.419 1.00 0.63 H new ATOM 0 HE3 MET A 76 4.449 -3.515 -2.185 1.00 0.63 H new ATOM 638 N VAL A 77 11.739 -4.323 -4.408 1.00 0.35 N ATOM 639 CA VAL A 77 12.895 -4.250 -5.296 1.00 0.44 C ATOM 640 C VAL A 77 13.170 -5.595 -5.973 1.00 0.49 C ATOM 641 O VAL A 77 13.653 -5.639 -7.104 1.00 0.62 O ATOM 642 CB VAL A 77 14.166 -3.755 -4.568 1.00 0.52 C ATOM 643 CG1 VAL A 77 13.966 -2.342 -4.032 1.00 0.78 C ATOM 644 CG2 VAL A 77 14.558 -4.698 -3.443 1.00 1.02 C ATOM 0 H VAL A 77 11.961 -4.281 -3.413 1.00 0.35 H new ATOM 0 HA VAL A 77 12.643 -3.518 -6.063 1.00 0.44 H new ATOM 0 HB VAL A 77 14.979 -3.739 -5.294 1.00 0.52 H new ATOM 0 HG11 VAL A 77 14.873 -2.014 -3.524 1.00 0.78 H new ATOM 0 HG12 VAL A 77 13.749 -1.666 -4.859 1.00 0.78 H new ATOM 0 HG13 VAL A 77 13.133 -2.334 -3.329 1.00 0.78 H new ATOM 0 HG21 VAL A 77 15.455 -4.323 -2.950 1.00 1.02 H new ATOM 0 HG22 VAL A 77 13.745 -4.759 -2.720 1.00 1.02 H new ATOM 0 HG23 VAL A 77 14.756 -5.689 -3.851 1.00 1.02 H new ATOM 654 N LYS A 78 12.842 -6.694 -5.302 1.00 0.46 N ATOM 655 CA LYS A 78 13.024 -8.011 -5.895 1.00 0.58 C ATOM 656 C LYS A 78 11.876 -8.335 -6.845 1.00 0.53 C ATOM 657 O LYS A 78 11.942 -9.299 -7.609 1.00 0.62 O ATOM 658 CB LYS A 78 13.162 -9.089 -4.819 1.00 0.76 C ATOM 659 CG LYS A 78 14.395 -8.908 -3.951 1.00 0.97 C ATOM 660 CD LYS A 78 14.493 -9.978 -2.878 1.00 1.17 C ATOM 661 CE LYS A 78 14.936 -11.317 -3.447 1.00 2.01 C ATOM 662 NZ LYS A 78 16.301 -11.257 -4.048 1.00 3.04 N ATOM 0 H LYS A 78 12.454 -6.699 -4.359 1.00 0.46 H new ATOM 0 HA LYS A 78 13.951 -7.996 -6.469 1.00 0.58 H new ATOM 0 HB2 LYS A 78 12.275 -9.078 -4.186 1.00 0.76 H new ATOM 0 HB3 LYS A 78 13.201 -10.068 -5.297 1.00 0.76 H new ATOM 0 HG2 LYS A 78 15.287 -8.938 -4.577 1.00 0.97 H new ATOM 0 HG3 LYS A 78 14.368 -7.925 -3.482 1.00 0.97 H new ATOM 0 HD2 LYS A 78 15.199 -9.659 -2.111 1.00 1.17 H new ATOM 0 HD3 LYS A 78 13.524 -10.093 -2.392 1.00 1.17 H new ATOM 0 HE2 LYS A 78 14.923 -12.067 -2.656 1.00 2.01 H new ATOM 0 HE3 LYS A 78 14.222 -11.641 -4.205 1.00 2.01 H new ATOM 0 HZ1 LYS A 78 16.688 -12.219 -4.127 1.00 3.04 H new ATOM 0 HZ2 LYS A 78 16.245 -10.828 -4.994 1.00 3.04 H new ATOM 0 HZ3 LYS A 78 16.922 -10.683 -3.443 1.00 3.04 H new ATOM 676 N SER A 79 10.830 -7.522 -6.800 1.00 0.47 N ATOM 677 CA SER A 79 9.754 -7.614 -7.774 1.00 0.49 C ATOM 678 C SER A 79 10.242 -7.038 -9.109 1.00 0.48 C ATOM 679 O SER A 79 9.597 -7.198 -10.146 1.00 0.57 O ATOM 680 CB SER A 79 8.513 -6.866 -7.268 1.00 0.48 C ATOM 681 OG SER A 79 7.350 -7.219 -8.001 1.00 0.86 O ATOM 0 H SER A 79 10.704 -6.792 -6.099 1.00 0.47 H new ATOM 0 HA SER A 79 9.473 -8.657 -7.919 1.00 0.49 H new ATOM 0 HB2 SER A 79 8.359 -7.089 -6.212 1.00 0.48 H new ATOM 0 HB3 SER A 79 8.679 -5.792 -7.345 1.00 0.48 H new ATOM 0 HG SER A 79 7.590 -7.380 -8.937 1.00 0.86 H new ATOM 687 N LYS A 80 11.405 -6.373 -9.054 1.00 0.44 N ATOM 688 CA LYS A 80 12.079 -5.828 -10.233 1.00 0.47 C ATOM 689 C LYS A 80 11.286 -4.698 -10.879 1.00 0.46 C ATOM 690 O LYS A 80 11.299 -4.536 -12.101 1.00 0.58 O ATOM 691 CB LYS A 80 12.378 -6.933 -11.255 1.00 0.60 C ATOM 692 CG LYS A 80 13.469 -7.888 -10.800 1.00 0.64 C ATOM 693 CD LYS A 80 14.775 -7.150 -10.531 1.00 1.15 C ATOM 694 CE LYS A 80 15.864 -8.092 -10.044 1.00 1.42 C ATOM 695 NZ LYS A 80 17.133 -7.376 -9.742 1.00 2.05 N ATOM 0 H LYS A 80 11.905 -6.199 -8.182 1.00 0.44 H new ATOM 0 HA LYS A 80 13.024 -5.406 -9.891 1.00 0.47 H new ATOM 0 HB2 LYS A 80 11.466 -7.498 -11.447 1.00 0.60 H new ATOM 0 HB3 LYS A 80 12.674 -6.476 -12.199 1.00 0.60 H new ATOM 0 HG2 LYS A 80 13.148 -8.405 -9.896 1.00 0.64 H new ATOM 0 HG3 LYS A 80 13.630 -8.650 -11.563 1.00 0.64 H new ATOM 0 HD2 LYS A 80 15.106 -6.652 -11.442 1.00 1.15 H new ATOM 0 HD3 LYS A 80 14.607 -6.372 -9.786 1.00 1.15 H new ATOM 0 HE2 LYS A 80 15.520 -8.611 -9.149 1.00 1.42 H new ATOM 0 HE3 LYS A 80 16.050 -8.853 -10.802 1.00 1.42 H new ATOM 0 HZ1 LYS A 80 17.846 -8.058 -9.413 1.00 2.05 H new ATOM 0 HZ2 LYS A 80 17.477 -6.902 -10.601 1.00 2.05 H new ATOM 0 HZ3 LYS A 80 16.964 -6.667 -9.000 1.00 2.05 H new ATOM 709 N LEU A 81 10.616 -3.907 -10.058 1.00 0.42 N ATOM 710 CA LEU A 81 9.972 -2.700 -10.536 1.00 0.43 C ATOM 711 C LEU A 81 10.850 -1.504 -10.192 1.00 0.43 C ATOM 712 O LEU A 81 11.516 -1.509 -9.156 1.00 0.44 O ATOM 713 CB LEU A 81 8.585 -2.538 -9.907 1.00 0.46 C ATOM 714 CG LEU A 81 7.609 -3.686 -10.179 1.00 0.63 C ATOM 715 CD1 LEU A 81 6.292 -3.442 -9.467 1.00 1.34 C ATOM 716 CD2 LEU A 81 7.372 -3.848 -11.671 1.00 1.22 C ATOM 0 H LEU A 81 10.505 -4.080 -9.059 1.00 0.42 H new ATOM 0 HA LEU A 81 9.843 -2.765 -11.616 1.00 0.43 H new ATOM 0 HB2 LEU A 81 8.703 -2.430 -8.829 1.00 0.46 H new ATOM 0 HB3 LEU A 81 8.143 -1.612 -10.274 1.00 0.46 H new ATOM 0 HG LEU A 81 8.051 -4.606 -9.796 1.00 0.63 H new ATOM 0 HD11 LEU A 81 5.610 -4.267 -9.671 1.00 1.34 H new ATOM 0 HD12 LEU A 81 6.466 -3.372 -8.393 1.00 1.34 H new ATOM 0 HD13 LEU A 81 5.852 -2.511 -9.824 1.00 1.34 H new ATOM 0 HD21 LEU A 81 6.676 -4.669 -11.842 1.00 1.22 H new ATOM 0 HD22 LEU A 81 6.953 -2.927 -12.075 1.00 1.22 H new ATOM 0 HD23 LEU A 81 8.317 -4.065 -12.168 1.00 1.22 H new ATOM 728 N PRO A 82 10.888 -0.484 -11.060 1.00 0.45 N ATOM 729 CA PRO A 82 11.707 0.714 -10.837 1.00 0.49 C ATOM 730 C PRO A 82 11.400 1.383 -9.500 1.00 0.44 C ATOM 731 O PRO A 82 10.243 1.438 -9.075 1.00 0.39 O ATOM 732 CB PRO A 82 11.321 1.633 -11.998 1.00 0.54 C ATOM 733 CG PRO A 82 10.815 0.718 -13.056 1.00 0.62 C ATOM 734 CD PRO A 82 10.155 -0.418 -12.336 1.00 0.48 C ATOM 0 HA PRO A 82 12.771 0.479 -10.801 1.00 0.49 H new ATOM 0 HB2 PRO A 82 10.557 2.350 -11.697 1.00 0.54 H new ATOM 0 HB3 PRO A 82 12.178 2.208 -12.349 1.00 0.54 H new ATOM 0 HG2 PRO A 82 10.108 1.230 -13.709 1.00 0.62 H new ATOM 0 HG3 PRO A 82 11.630 0.361 -13.686 1.00 0.62 H new ATOM 0 HD2 PRO A 82 9.092 -0.232 -12.180 1.00 0.48 H new ATOM 0 HD3 PRO A 82 10.237 -1.350 -12.895 1.00 0.48 H new ATOM 742 N ASN A 83 12.441 1.901 -8.850 1.00 0.49 N ATOM 743 CA ASN A 83 12.306 2.528 -7.532 1.00 0.48 C ATOM 744 C ASN A 83 11.285 3.656 -7.559 1.00 0.41 C ATOM 745 O ASN A 83 10.573 3.882 -6.581 1.00 0.37 O ATOM 746 CB ASN A 83 13.654 3.068 -7.039 1.00 0.57 C ATOM 747 CG ASN A 83 14.663 1.970 -6.748 1.00 0.71 C ATOM 748 OD1 ASN A 83 14.668 0.923 -7.391 1.00 0.94 O ATOM 749 ND2 ASN A 83 15.528 2.206 -5.775 1.00 0.89 N ATOM 0 H ASN A 83 13.393 1.900 -9.216 1.00 0.49 H new ATOM 0 HA ASN A 83 11.959 1.758 -6.843 1.00 0.48 H new ATOM 0 HB2 ASN A 83 14.066 3.742 -7.790 1.00 0.57 H new ATOM 0 HB3 ASN A 83 13.495 3.656 -6.135 1.00 0.57 H new ATOM 0 HD21 ASN A 83 16.231 1.506 -5.536 1.00 0.89 H new ATOM 0 HD22 ASN A 83 15.492 3.088 -5.264 1.00 0.89 H new ATOM 756 N THR A 84 11.217 4.356 -8.687 1.00 0.44 N ATOM 757 CA THR A 84 10.242 5.419 -8.871 1.00 0.42 C ATOM 758 C THR A 84 8.818 4.871 -8.731 1.00 0.35 C ATOM 759 O THR A 84 7.997 5.410 -7.987 1.00 0.35 O ATOM 760 CB THR A 84 10.412 6.075 -10.257 1.00 0.48 C ATOM 761 OG1 THR A 84 11.806 6.299 -10.520 1.00 0.59 O ATOM 762 CG2 THR A 84 9.669 7.400 -10.327 1.00 0.46 C ATOM 0 H THR A 84 11.829 4.203 -9.489 1.00 0.44 H new ATOM 0 HA THR A 84 10.410 6.171 -8.100 1.00 0.42 H new ATOM 0 HB THR A 84 9.996 5.401 -11.006 1.00 0.48 H new ATOM 0 HG1 THR A 84 11.910 6.714 -11.402 1.00 0.59 H new ATOM 0 HG21 THR A 84 9.805 7.842 -11.314 1.00 0.46 H new ATOM 0 HG22 THR A 84 8.607 7.232 -10.148 1.00 0.46 H new ATOM 0 HG23 THR A 84 10.062 8.078 -9.569 1.00 0.46 H new ATOM 770 N VAL A 85 8.553 3.766 -9.426 1.00 0.34 N ATOM 771 CA VAL A 85 7.248 3.115 -9.388 1.00 0.31 C ATOM 772 C VAL A 85 6.952 2.623 -7.974 1.00 0.27 C ATOM 773 O VAL A 85 5.852 2.810 -7.461 1.00 0.29 O ATOM 774 CB VAL A 85 7.186 1.930 -10.381 1.00 0.33 C ATOM 775 CG1 VAL A 85 5.818 1.254 -10.363 1.00 0.36 C ATOM 776 CG2 VAL A 85 7.529 2.396 -11.788 1.00 0.40 C ATOM 0 H VAL A 85 9.233 3.301 -10.027 1.00 0.34 H new ATOM 0 HA VAL A 85 6.495 3.846 -9.683 1.00 0.31 H new ATOM 0 HB VAL A 85 7.924 1.194 -10.064 1.00 0.33 H new ATOM 0 HG11 VAL A 85 5.812 0.427 -11.073 1.00 0.36 H new ATOM 0 HG12 VAL A 85 5.613 0.875 -9.362 1.00 0.36 H new ATOM 0 HG13 VAL A 85 5.051 1.977 -10.642 1.00 0.36 H new ATOM 0 HG21 VAL A 85 7.481 1.550 -12.473 1.00 0.40 H new ATOM 0 HG22 VAL A 85 6.817 3.159 -12.102 1.00 0.40 H new ATOM 0 HG23 VAL A 85 8.536 2.814 -11.798 1.00 0.40 H new ATOM 786 N LEU A 86 7.962 2.029 -7.346 1.00 0.25 N ATOM 787 CA LEU A 86 7.842 1.534 -5.977 1.00 0.24 C ATOM 788 C LEU A 86 7.483 2.668 -5.024 1.00 0.25 C ATOM 789 O LEU A 86 6.615 2.515 -4.163 1.00 0.27 O ATOM 790 CB LEU A 86 9.152 0.880 -5.524 1.00 0.26 C ATOM 791 CG LEU A 86 9.649 -0.258 -6.411 1.00 0.41 C ATOM 792 CD1 LEU A 86 10.967 -0.799 -5.888 1.00 1.25 C ATOM 793 CD2 LEU A 86 8.612 -1.366 -6.498 1.00 1.23 C ATOM 0 H LEU A 86 8.879 1.878 -7.766 1.00 0.25 H new ATOM 0 HA LEU A 86 7.046 0.789 -5.958 1.00 0.24 H new ATOM 0 HB2 LEU A 86 9.925 1.647 -5.476 1.00 0.26 H new ATOM 0 HB3 LEU A 86 9.018 0.499 -4.512 1.00 0.26 H new ATOM 0 HG LEU A 86 9.810 0.135 -7.415 1.00 0.41 H new ATOM 0 HD11 LEU A 86 11.308 -1.610 -6.531 1.00 1.25 H new ATOM 0 HD12 LEU A 86 11.711 -0.002 -5.883 1.00 1.25 H new ATOM 0 HD13 LEU A 86 10.830 -1.174 -4.874 1.00 1.25 H new ATOM 0 HD21 LEU A 86 8.988 -2.167 -7.135 1.00 1.23 H new ATOM 0 HD22 LEU A 86 8.414 -1.759 -5.501 1.00 1.23 H new ATOM 0 HD23 LEU A 86 7.689 -0.968 -6.921 1.00 1.23 H new ATOM 805 N GLY A 87 8.150 3.803 -5.194 1.00 0.28 N ATOM 806 CA GLY A 87 7.868 4.962 -4.376 1.00 0.32 C ATOM 807 C GLY A 87 6.432 5.424 -4.519 1.00 0.31 C ATOM 808 O GLY A 87 5.819 5.877 -3.558 1.00 0.34 O ATOM 0 H GLY A 87 8.885 3.939 -5.888 1.00 0.28 H new ATOM 0 HA2 GLY A 87 8.070 4.726 -3.331 1.00 0.32 H new ATOM 0 HA3 GLY A 87 8.539 5.774 -4.655 1.00 0.32 H new ATOM 812 N LYS A 88 5.882 5.277 -5.723 1.00 0.29 N ATOM 813 CA LYS A 88 4.500 5.666 -5.989 1.00 0.32 C ATOM 814 C LYS A 88 3.537 4.677 -5.333 1.00 0.31 C ATOM 815 O LYS A 88 2.561 5.077 -4.684 1.00 0.33 O ATOM 816 CB LYS A 88 4.243 5.729 -7.499 1.00 0.37 C ATOM 817 CG LYS A 88 5.179 6.671 -8.236 1.00 1.10 C ATOM 818 CD LYS A 88 4.984 6.571 -9.741 1.00 1.05 C ATOM 819 CE LYS A 88 3.700 7.254 -10.193 1.00 0.68 C ATOM 820 NZ LYS A 88 3.829 8.736 -10.198 1.00 1.16 N ATOM 0 H LYS A 88 6.373 4.891 -6.529 1.00 0.29 H new ATOM 0 HA LYS A 88 4.331 6.656 -5.565 1.00 0.32 H new ATOM 0 HB2 LYS A 88 4.344 4.728 -7.918 1.00 0.37 H new ATOM 0 HB3 LYS A 88 3.214 6.044 -7.671 1.00 0.37 H new ATOM 0 HG2 LYS A 88 4.999 7.696 -7.910 1.00 1.10 H new ATOM 0 HG3 LYS A 88 6.212 6.433 -7.984 1.00 1.10 H new ATOM 0 HD2 LYS A 88 5.835 7.025 -10.248 1.00 1.05 H new ATOM 0 HD3 LYS A 88 4.960 5.522 -10.035 1.00 1.05 H new ATOM 0 HE2 LYS A 88 3.439 6.909 -11.194 1.00 0.68 H new ATOM 0 HE3 LYS A 88 2.883 6.963 -9.533 1.00 0.68 H new ATOM 0 HZ1 LYS A 88 2.951 9.160 -10.560 1.00 1.16 H new ATOM 0 HZ2 LYS A 88 4.002 9.073 -9.229 1.00 1.16 H new ATOM 0 HZ3 LYS A 88 4.624 9.013 -10.808 1.00 1.16 H new ATOM 834 N ILE A 89 3.831 3.389 -5.497 1.00 0.28 N ATOM 835 CA ILE A 89 3.023 2.327 -4.904 1.00 0.30 C ATOM 836 C ILE A 89 2.930 2.520 -3.394 1.00 0.28 C ATOM 837 O ILE A 89 1.844 2.499 -2.821 1.00 0.30 O ATOM 838 CB ILE A 89 3.619 0.921 -5.176 1.00 0.31 C ATOM 839 CG1 ILE A 89 3.855 0.690 -6.672 1.00 0.37 C ATOM 840 CG2 ILE A 89 2.709 -0.162 -4.610 1.00 0.34 C ATOM 841 CD1 ILE A 89 2.599 0.756 -7.512 1.00 0.89 C ATOM 0 H ILE A 89 4.628 3.055 -6.039 1.00 0.28 H new ATOM 0 HA ILE A 89 2.037 2.386 -5.364 1.00 0.30 H new ATOM 0 HB ILE A 89 4.585 0.869 -4.674 1.00 0.31 H new ATOM 0 HG12 ILE A 89 4.563 1.435 -7.037 1.00 0.37 H new ATOM 0 HG13 ILE A 89 4.320 -0.286 -6.809 1.00 0.37 H new ATOM 0 HG21 ILE A 89 3.142 -1.142 -4.810 1.00 0.34 H new ATOM 0 HG22 ILE A 89 2.605 -0.024 -3.534 1.00 0.34 H new ATOM 0 HG23 ILE A 89 1.728 -0.096 -5.081 1.00 0.34 H new ATOM 0 HD11 ILE A 89 2.851 0.582 -8.558 1.00 0.89 H new ATOM 0 HD12 ILE A 89 1.896 -0.007 -7.177 1.00 0.89 H new ATOM 0 HD13 ILE A 89 2.143 1.740 -7.408 1.00 0.89 H new ATOM 853 N TRP A 90 4.080 2.727 -2.759 1.00 0.25 N ATOM 854 CA TRP A 90 4.135 2.884 -1.308 1.00 0.25 C ATOM 855 C TRP A 90 3.438 4.171 -0.883 1.00 0.28 C ATOM 856 O TRP A 90 2.707 4.198 0.112 1.00 0.33 O ATOM 857 CB TRP A 90 5.587 2.895 -0.824 1.00 0.22 C ATOM 858 CG TRP A 90 5.708 2.836 0.666 1.00 0.22 C ATOM 859 CD1 TRP A 90 5.503 3.857 1.546 1.00 0.25 C ATOM 860 CD2 TRP A 90 6.059 1.695 1.447 1.00 0.24 C ATOM 861 NE1 TRP A 90 5.704 3.417 2.830 1.00 0.27 N ATOM 862 CE2 TRP A 90 6.053 2.093 2.795 1.00 0.27 C ATOM 863 CE3 TRP A 90 6.387 0.375 1.134 1.00 0.29 C ATOM 864 CZ2 TRP A 90 6.352 1.213 3.831 1.00 0.31 C ATOM 865 CZ3 TRP A 90 6.687 -0.494 2.160 1.00 0.35 C ATOM 866 CH2 TRP A 90 6.667 -0.074 3.495 1.00 0.35 C ATOM 0 H TRP A 90 4.985 2.790 -3.225 1.00 0.25 H new ATOM 0 HA TRP A 90 3.619 2.038 -0.855 1.00 0.25 H new ATOM 0 HB2 TRP A 90 6.116 2.047 -1.260 1.00 0.22 H new ATOM 0 HB3 TRP A 90 6.078 3.798 -1.187 1.00 0.22 H new ATOM 0 HD1 TRP A 90 5.224 4.864 1.273 1.00 0.25 H new ATOM 0 HE1 TRP A 90 5.609 3.983 3.673 1.00 0.27 H new ATOM 0 HE3 TRP A 90 6.405 0.041 0.107 1.00 0.29 H new ATOM 0 HZ2 TRP A 90 6.336 1.535 4.862 1.00 0.31 H new ATOM 0 HZ3 TRP A 90 6.942 -1.518 1.930 1.00 0.35 H new ATOM 0 HH2 TRP A 90 6.905 -0.781 4.276 1.00 0.35 H new ATOM 877 N LYS A 91 3.665 5.232 -1.654 1.00 0.30 N ATOM 878 CA LYS A 91 3.062 6.535 -1.391 1.00 0.37 C ATOM 879 C LYS A 91 1.539 6.422 -1.325 1.00 0.37 C ATOM 880 O LYS A 91 0.873 7.190 -0.624 1.00 0.43 O ATOM 881 CB LYS A 91 3.474 7.521 -2.487 1.00 0.45 C ATOM 882 CG LYS A 91 3.090 8.966 -2.214 1.00 0.62 C ATOM 883 CD LYS A 91 3.396 9.858 -3.411 1.00 1.19 C ATOM 884 CE LYS A 91 4.886 9.894 -3.733 1.00 1.38 C ATOM 885 NZ LYS A 91 5.680 10.564 -2.670 1.00 1.16 N ATOM 0 H LYS A 91 4.270 5.213 -2.475 1.00 0.30 H new ATOM 0 HA LYS A 91 3.417 6.899 -0.427 1.00 0.37 H new ATOM 0 HB2 LYS A 91 4.554 7.465 -2.621 1.00 0.45 H new ATOM 0 HB3 LYS A 91 3.020 7.209 -3.428 1.00 0.45 H new ATOM 0 HG2 LYS A 91 2.027 9.023 -1.978 1.00 0.62 H new ATOM 0 HG3 LYS A 91 3.631 9.329 -1.340 1.00 0.62 H new ATOM 0 HD2 LYS A 91 2.846 9.498 -4.281 1.00 1.19 H new ATOM 0 HD3 LYS A 91 3.045 10.870 -3.208 1.00 1.19 H new ATOM 0 HE2 LYS A 91 5.250 8.876 -3.867 1.00 1.38 H new ATOM 0 HE3 LYS A 91 5.038 10.414 -4.679 1.00 1.38 H new ATOM 0 HZ1 LYS A 91 6.542 10.971 -3.085 1.00 1.16 H new ATOM 0 HZ2 LYS A 91 5.113 11.321 -2.238 1.00 1.16 H new ATOM 0 HZ3 LYS A 91 5.941 9.869 -1.942 1.00 1.16 H new ATOM 899 N LEU A 92 1.000 5.457 -2.057 1.00 0.34 N ATOM 900 CA LEU A 92 -0.434 5.207 -2.081 1.00 0.37 C ATOM 901 C LEU A 92 -0.854 4.174 -1.036 1.00 0.35 C ATOM 902 O LEU A 92 -1.863 4.345 -0.354 1.00 0.37 O ATOM 903 CB LEU A 92 -0.838 4.708 -3.460 1.00 0.43 C ATOM 904 CG LEU A 92 -0.751 5.737 -4.584 1.00 0.59 C ATOM 905 CD1 LEU A 92 -1.117 5.100 -5.915 1.00 1.53 C ATOM 906 CD2 LEU A 92 -1.659 6.922 -4.288 1.00 1.21 C ATOM 0 H LEU A 92 1.542 4.828 -2.649 1.00 0.34 H new ATOM 0 HA LEU A 92 -0.936 6.146 -1.848 1.00 0.37 H new ATOM 0 HB2 LEU A 92 -0.206 3.859 -3.719 1.00 0.43 H new ATOM 0 HB3 LEU A 92 -1.862 4.339 -3.408 1.00 0.43 H new ATOM 0 HG LEU A 92 0.276 6.098 -4.648 1.00 0.59 H new ATOM 0 HD11 LEU A 92 -1.050 5.847 -6.706 1.00 1.53 H new ATOM 0 HD12 LEU A 92 -0.429 4.282 -6.129 1.00 1.53 H new ATOM 0 HD13 LEU A 92 -2.135 4.714 -5.866 1.00 1.53 H new ATOM 0 HD21 LEU A 92 -1.586 7.647 -5.098 1.00 1.21 H new ATOM 0 HD22 LEU A 92 -2.690 6.578 -4.200 1.00 1.21 H new ATOM 0 HD23 LEU A 92 -1.352 7.391 -3.353 1.00 1.21 H new ATOM 918 N ALA A 93 -0.072 3.106 -0.920 1.00 0.35 N ATOM 919 CA ALA A 93 -0.435 1.958 -0.094 1.00 0.39 C ATOM 920 C ALA A 93 -0.522 2.328 1.381 1.00 0.35 C ATOM 921 O ALA A 93 -1.422 1.881 2.096 1.00 0.40 O ATOM 922 CB ALA A 93 0.576 0.838 -0.298 1.00 0.43 C ATOM 0 H ALA A 93 0.827 3.011 -1.393 1.00 0.35 H new ATOM 0 HA ALA A 93 -1.423 1.619 -0.404 1.00 0.39 H new ATOM 0 HB1 ALA A 93 0.302 -0.017 0.320 1.00 0.43 H new ATOM 0 HB2 ALA A 93 0.583 0.540 -1.347 1.00 0.43 H new ATOM 0 HB3 ALA A 93 1.569 1.188 -0.014 1.00 0.43 H new ATOM 928 N ASP A 94 0.408 3.151 1.832 1.00 0.30 N ATOM 929 CA ASP A 94 0.417 3.580 3.225 1.00 0.32 C ATOM 930 C ASP A 94 -0.366 4.876 3.348 1.00 0.35 C ATOM 931 O ASP A 94 0.163 5.965 3.117 1.00 0.46 O ATOM 932 CB ASP A 94 1.851 3.745 3.750 1.00 0.35 C ATOM 933 CG ASP A 94 1.920 3.990 5.255 1.00 0.42 C ATOM 934 OD1 ASP A 94 0.904 3.780 5.969 1.00 0.59 O ATOM 935 OD2 ASP A 94 2.998 4.380 5.743 1.00 0.56 O ATOM 0 H ASP A 94 1.162 3.535 1.262 1.00 0.30 H new ATOM 0 HA ASP A 94 -0.057 2.814 3.838 1.00 0.32 H new ATOM 0 HB2 ASP A 94 2.424 2.850 3.508 1.00 0.35 H new ATOM 0 HB3 ASP A 94 2.327 4.578 3.231 1.00 0.35 H new ATOM 940 N VAL A 95 -1.641 4.737 3.679 1.00 0.42 N ATOM 941 CA VAL A 95 -2.570 5.861 3.689 1.00 0.51 C ATOM 942 C VAL A 95 -2.346 6.750 4.902 1.00 0.59 C ATOM 943 O VAL A 95 -2.225 7.969 4.783 1.00 0.74 O ATOM 944 CB VAL A 95 -4.035 5.371 3.693 1.00 0.60 C ATOM 945 CG1 VAL A 95 -5.000 6.536 3.516 1.00 1.15 C ATOM 946 CG2 VAL A 95 -4.254 4.321 2.615 1.00 1.49 C ATOM 0 H VAL A 95 -2.061 3.847 3.947 1.00 0.42 H new ATOM 0 HA VAL A 95 -2.383 6.436 2.782 1.00 0.51 H new ATOM 0 HB VAL A 95 -4.235 4.913 4.662 1.00 0.60 H new ATOM 0 HG11 VAL A 95 -6.025 6.164 3.522 1.00 1.15 H new ATOM 0 HG12 VAL A 95 -4.867 7.246 4.332 1.00 1.15 H new ATOM 0 HG13 VAL A 95 -4.800 7.033 2.567 1.00 1.15 H new ATOM 0 HG21 VAL A 95 -5.292 3.990 2.635 1.00 1.49 H new ATOM 0 HG22 VAL A 95 -4.029 4.750 1.638 1.00 1.49 H new ATOM 0 HG23 VAL A 95 -3.598 3.470 2.797 1.00 1.49 H new ATOM 956 N ASP A 96 -2.271 6.124 6.062 1.00 0.59 N ATOM 957 CA ASP A 96 -2.187 6.841 7.328 1.00 0.69 C ATOM 958 C ASP A 96 -0.748 7.253 7.662 1.00 0.53 C ATOM 959 O ASP A 96 -0.527 8.025 8.600 1.00 0.57 O ATOM 960 CB ASP A 96 -2.790 5.993 8.453 1.00 0.88 C ATOM 961 CG ASP A 96 -2.392 4.534 8.373 1.00 0.93 C ATOM 962 OD1 ASP A 96 -1.317 4.232 7.803 1.00 1.02 O ATOM 963 OD2 ASP A 96 -3.167 3.682 8.849 1.00 1.45 O ATOM 0 H ASP A 96 -2.266 5.108 6.157 1.00 0.59 H new ATOM 0 HA ASP A 96 -2.764 7.761 7.229 1.00 0.69 H new ATOM 0 HB2 ASP A 96 -2.474 6.398 9.415 1.00 0.88 H new ATOM 0 HB3 ASP A 96 -3.877 6.070 8.416 1.00 0.88 H new ATOM 968 N LYS A 97 0.214 6.735 6.889 1.00 0.43 N ATOM 969 CA LYS A 97 1.620 7.165 6.965 1.00 0.47 C ATOM 970 C LYS A 97 2.327 6.649 8.221 1.00 0.49 C ATOM 971 O LYS A 97 2.515 7.388 9.190 1.00 0.66 O ATOM 972 CB LYS A 97 1.752 8.691 6.859 1.00 0.63 C ATOM 973 CG LYS A 97 1.065 9.279 5.637 1.00 0.67 C ATOM 974 CD LYS A 97 1.568 8.646 4.350 1.00 1.18 C ATOM 975 CE LYS A 97 0.698 9.029 3.163 1.00 1.77 C ATOM 976 NZ LYS A 97 1.117 8.324 1.920 1.00 2.67 N ATOM 0 H LYS A 97 0.043 6.008 6.194 1.00 0.43 H new ATOM 0 HA LYS A 97 2.120 6.717 6.106 1.00 0.47 H new ATOM 0 HB2 LYS A 97 1.332 9.147 7.756 1.00 0.63 H new ATOM 0 HB3 LYS A 97 2.809 8.955 6.833 1.00 0.63 H new ATOM 0 HG2 LYS A 97 -0.012 9.131 5.719 1.00 0.67 H new ATOM 0 HG3 LYS A 97 1.237 10.355 5.605 1.00 0.67 H new ATOM 0 HD2 LYS A 97 2.595 8.961 4.166 1.00 1.18 H new ATOM 0 HD3 LYS A 97 1.581 7.561 4.458 1.00 1.18 H new ATOM 0 HE2 LYS A 97 -0.343 8.790 3.383 1.00 1.77 H new ATOM 0 HE3 LYS A 97 0.752 10.106 3.006 1.00 1.77 H new ATOM 0 HZ1 LYS A 97 0.593 8.709 1.109 1.00 2.67 H new ATOM 0 HZ2 LYS A 97 2.137 8.462 1.770 1.00 2.67 H new ATOM 0 HZ3 LYS A 97 0.915 7.308 2.012 1.00 2.67 H new ATOM 990 N ASP A 98 2.683 5.368 8.205 1.00 0.46 N ATOM 991 CA ASP A 98 3.395 4.748 9.324 1.00 0.51 C ATOM 992 C ASP A 98 4.864 4.561 8.974 1.00 0.43 C ATOM 993 O ASP A 98 5.758 4.846 9.775 1.00 0.49 O ATOM 994 CB ASP A 98 2.839 3.353 9.653 1.00 0.65 C ATOM 995 CG ASP A 98 1.337 3.275 9.693 1.00 0.56 C ATOM 996 OD1 ASP A 98 0.742 2.976 8.634 1.00 0.70 O ATOM 997 OD2 ASP A 98 0.750 3.459 10.778 1.00 1.13 O ATOM 0 H ASP A 98 2.491 4.735 7.428 1.00 0.46 H new ATOM 0 HA ASP A 98 3.266 5.412 10.178 1.00 0.51 H new ATOM 0 HB2 ASP A 98 3.208 2.644 8.911 1.00 0.65 H new ATOM 0 HB3 ASP A 98 3.233 3.037 10.619 1.00 0.65 H new ATOM 1002 N GLY A 99 5.096 4.071 7.765 1.00 0.40 N ATOM 1003 CA GLY A 99 6.410 3.581 7.396 1.00 0.43 C ATOM 1004 C GLY A 99 6.463 2.067 7.519 1.00 0.35 C ATOM 1005 O GLY A 99 7.505 1.441 7.317 1.00 0.40 O ATOM 0 H GLY A 99 4.394 4.003 7.028 1.00 0.40 H new ATOM 0 HA2 GLY A 99 6.642 3.878 6.373 1.00 0.43 H new ATOM 0 HA3 GLY A 99 7.167 4.031 8.038 1.00 0.43 H new ATOM 1009 N LEU A 100 5.317 1.493 7.881 1.00 0.33 N ATOM 1010 CA LEU A 100 5.157 0.051 8.021 1.00 0.30 C ATOM 1011 C LEU A 100 3.901 -0.371 7.275 1.00 0.31 C ATOM 1012 O LEU A 100 3.063 0.471 6.957 1.00 0.40 O ATOM 1013 CB LEU A 100 4.990 -0.341 9.492 1.00 0.30 C ATOM 1014 CG LEU A 100 6.024 0.209 10.470 1.00 0.33 C ATOM 1015 CD1 LEU A 100 5.616 -0.140 11.891 1.00 0.45 C ATOM 1016 CD2 LEU A 100 7.405 -0.344 10.160 1.00 0.39 C ATOM 0 H LEU A 100 4.469 2.021 8.086 1.00 0.33 H new ATOM 0 HA LEU A 100 6.044 -0.439 7.619 1.00 0.30 H new ATOM 0 HB2 LEU A 100 4.003 -0.015 9.821 1.00 0.30 H new ATOM 0 HB3 LEU A 100 5.004 -1.429 9.558 1.00 0.30 H new ATOM 0 HG LEU A 100 6.067 1.293 10.367 1.00 0.33 H new ATOM 0 HD11 LEU A 100 6.355 0.253 12.589 1.00 0.45 H new ATOM 0 HD12 LEU A 100 4.642 0.299 12.108 1.00 0.45 H new ATOM 0 HD13 LEU A 100 5.557 -1.223 11.997 1.00 0.45 H new ATOM 0 HD21 LEU A 100 8.127 0.061 10.869 1.00 0.39 H new ATOM 0 HD22 LEU A 100 7.388 -1.431 10.240 1.00 0.39 H new ATOM 0 HD23 LEU A 100 7.692 -0.059 9.148 1.00 0.39 H new ATOM 1028 N LEU A 101 3.741 -1.659 7.024 1.00 0.30 N ATOM 1029 CA LEU A 101 2.544 -2.133 6.345 1.00 0.33 C ATOM 1030 C LEU A 101 1.842 -3.219 7.143 1.00 0.29 C ATOM 1031 O LEU A 101 2.433 -4.235 7.492 1.00 0.27 O ATOM 1032 CB LEU A 101 2.866 -2.661 4.945 1.00 0.43 C ATOM 1033 CG LEU A 101 3.463 -1.639 3.974 1.00 0.33 C ATOM 1034 CD1 LEU A 101 3.805 -2.305 2.648 1.00 0.71 C ATOM 1035 CD2 LEU A 101 2.498 -0.480 3.752 1.00 0.43 C ATOM 0 H LEU A 101 4.411 -2.386 7.274 1.00 0.30 H new ATOM 0 HA LEU A 101 1.877 -1.275 6.255 1.00 0.33 H new ATOM 0 HB2 LEU A 101 3.563 -3.494 5.042 1.00 0.43 H new ATOM 0 HB3 LEU A 101 1.951 -3.060 4.507 1.00 0.43 H new ATOM 0 HG LEU A 101 4.379 -1.244 4.413 1.00 0.33 H new ATOM 0 HD11 LEU A 101 4.228 -1.566 1.968 1.00 0.71 H new ATOM 0 HD12 LEU A 101 4.531 -3.100 2.817 1.00 0.71 H new ATOM 0 HD13 LEU A 101 2.901 -2.726 2.209 1.00 0.71 H new ATOM 0 HD21 LEU A 101 2.941 0.235 3.059 1.00 0.43 H new ATOM 0 HD22 LEU A 101 1.565 -0.858 3.335 1.00 0.43 H new ATOM 0 HD23 LEU A 101 2.297 0.013 4.703 1.00 0.43 H new ATOM 1047 N ASP A 102 0.584 -2.975 7.459 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.291 -4.017 7.986 1.00 0.35 C ATOM 1049 C ASP A 102 -0.934 -4.754 6.817 1.00 0.31 C ATOM 1050 O ASP A 102 -0.628 -4.460 5.664 1.00 0.28 O ATOM 1051 CB ASP A 102 -1.364 -3.437 8.915 1.00 0.49 C ATOM 1052 CG ASP A 102 -2.133 -2.295 8.285 1.00 0.75 C ATOM 1053 OD1 ASP A 102 -2.761 -2.522 7.234 1.00 1.01 O ATOM 1054 OD2 ASP A 102 -2.129 -1.187 8.851 1.00 1.42 O ATOM 0 H ASP A 102 0.140 -2.062 7.361 1.00 0.33 H new ATOM 0 HA ASP A 102 0.304 -4.710 8.581 1.00 0.35 H new ATOM 0 HB2 ASP A 102 -2.061 -4.227 9.195 1.00 0.49 H new ATOM 0 HB3 ASP A 102 -0.892 -3.088 9.834 1.00 0.49 H new ATOM 1059 N ASP A 103 -1.826 -5.694 7.096 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.409 -6.508 6.033 1.00 0.37 C ATOM 1061 C ASP A 103 -3.351 -5.688 5.155 1.00 0.34 C ATOM 1062 O ASP A 103 -3.596 -6.044 3.999 1.00 0.36 O ATOM 1063 CB ASP A 103 -3.134 -7.734 6.601 1.00 0.49 C ATOM 1064 CG ASP A 103 -4.387 -7.395 7.376 1.00 0.72 C ATOM 1065 OD1 ASP A 103 -4.289 -7.173 8.603 1.00 1.73 O ATOM 1066 OD2 ASP A 103 -5.468 -7.331 6.759 1.00 0.92 O ATOM 0 H ASP A 103 -2.160 -5.912 8.035 1.00 0.36 H new ATOM 0 HA ASP A 103 -1.587 -6.859 5.410 1.00 0.37 H new ATOM 0 HB2 ASP A 103 -3.395 -8.403 5.781 1.00 0.49 H new ATOM 0 HB3 ASP A 103 -2.451 -8.279 7.252 1.00 0.49 H new ATOM 1071 N GLU A 104 -3.870 -4.588 5.691 1.00 0.33 N ATOM 1072 CA GLU A 104 -4.716 -3.691 4.913 1.00 0.37 C ATOM 1073 C GLU A 104 -3.871 -2.932 3.904 1.00 0.29 C ATOM 1074 O GLU A 104 -4.109 -2.997 2.695 1.00 0.29 O ATOM 1075 CB GLU A 104 -5.445 -2.675 5.804 1.00 0.50 C ATOM 1076 CG GLU A 104 -6.504 -3.262 6.718 1.00 0.89 C ATOM 1077 CD GLU A 104 -7.239 -2.182 7.491 1.00 1.08 C ATOM 1078 OE1 GLU A 104 -7.719 -1.213 6.866 1.00 1.53 O ATOM 1079 OE2 GLU A 104 -7.361 -2.310 8.730 1.00 1.50 O ATOM 0 H GLU A 104 -3.720 -4.297 6.657 1.00 0.33 H new ATOM 0 HA GLU A 104 -5.461 -4.305 4.407 1.00 0.37 H new ATOM 0 HB2 GLU A 104 -4.707 -2.156 6.416 1.00 0.50 H new ATOM 0 HB3 GLU A 104 -5.913 -1.926 5.166 1.00 0.50 H new ATOM 0 HG2 GLU A 104 -7.217 -3.836 6.127 1.00 0.89 H new ATOM 0 HG3 GLU A 104 -6.037 -3.956 7.417 1.00 0.89 H new ATOM 1086 N GLU A 105 -2.869 -2.234 4.414 1.00 0.27 N ATOM 1087 CA GLU A 105 -2.017 -1.387 3.589 1.00 0.26 C ATOM 1088 C GLU A 105 -1.160 -2.223 2.648 1.00 0.22 C ATOM 1089 O GLU A 105 -0.848 -1.800 1.531 1.00 0.22 O ATOM 1090 CB GLU A 105 -1.139 -0.508 4.478 1.00 0.36 C ATOM 1091 CG GLU A 105 -1.935 0.240 5.530 1.00 0.75 C ATOM 1092 CD GLU A 105 -1.159 1.359 6.185 1.00 0.69 C ATOM 1093 OE1 GLU A 105 -0.331 1.103 7.077 1.00 0.76 O ATOM 1094 OE2 GLU A 105 -1.362 2.530 5.831 1.00 0.82 O ATOM 0 H GLU A 105 -2.623 -2.237 5.404 1.00 0.27 H new ATOM 0 HA GLU A 105 -2.654 -0.748 2.978 1.00 0.26 H new ATOM 0 HB2 GLU A 105 -0.389 -1.129 4.969 1.00 0.36 H new ATOM 0 HB3 GLU A 105 -0.602 0.209 3.857 1.00 0.36 H new ATOM 0 HG2 GLU A 105 -2.834 0.651 5.071 1.00 0.75 H new ATOM 0 HG3 GLU A 105 -2.262 -0.463 6.296 1.00 0.75 H new ATOM 1101 N PHE A 106 -0.787 -3.413 3.092 1.00 0.24 N ATOM 1102 CA PHE A 106 -0.031 -4.327 2.252 1.00 0.26 C ATOM 1103 C PHE A 106 -0.931 -4.882 1.155 1.00 0.29 C ATOM 1104 O PHE A 106 -0.470 -5.186 0.055 1.00 0.31 O ATOM 1105 CB PHE A 106 0.568 -5.457 3.087 1.00 0.28 C ATOM 1106 CG PHE A 106 1.564 -6.294 2.338 1.00 0.26 C ATOM 1107 CD1 PHE A 106 2.807 -5.790 2.011 1.00 0.26 C ATOM 1108 CD2 PHE A 106 1.249 -7.590 1.962 1.00 0.35 C ATOM 1109 CE1 PHE A 106 3.722 -6.562 1.320 1.00 0.26 C ATOM 1110 CE2 PHE A 106 2.160 -8.368 1.272 1.00 0.37 C ATOM 1111 CZ PHE A 106 3.416 -7.834 0.955 1.00 0.28 C ATOM 0 H PHE A 106 -0.995 -3.767 4.026 1.00 0.24 H new ATOM 0 HA PHE A 106 0.792 -3.783 1.789 1.00 0.26 H new ATOM 0 HB2 PHE A 106 1.052 -5.031 3.966 1.00 0.28 H new ATOM 0 HB3 PHE A 106 -0.237 -6.099 3.446 1.00 0.28 H new ATOM 0 HD1 PHE A 106 3.067 -4.782 2.298 1.00 0.26 H new ATOM 0 HD2 PHE A 106 0.280 -7.997 2.211 1.00 0.35 H new ATOM 0 HE1 PHE A 106 4.688 -6.150 1.068 1.00 0.26 H new ATOM 0 HE2 PHE A 106 1.906 -9.376 0.980 1.00 0.37 H new ATOM 0 HZ PHE A 106 4.139 -8.433 0.421 1.00 0.28 H new ATOM 1121 N ALA A 107 -2.223 -4.991 1.452 1.00 0.35 N ATOM 1122 CA ALA A 107 -3.192 -5.396 0.444 1.00 0.41 C ATOM 1123 C ALA A 107 -3.305 -4.330 -0.631 1.00 0.38 C ATOM 1124 O ALA A 107 -3.430 -4.640 -1.815 1.00 0.40 O ATOM 1125 CB ALA A 107 -4.552 -5.660 1.071 1.00 0.50 C ATOM 0 H ALA A 107 -2.618 -4.806 2.374 1.00 0.35 H new ATOM 0 HA ALA A 107 -2.844 -6.323 -0.012 1.00 0.41 H new ATOM 0 HB1 ALA A 107 -5.257 -5.961 0.296 1.00 0.50 H new ATOM 0 HB2 ALA A 107 -4.463 -6.456 1.810 1.00 0.50 H new ATOM 0 HB3 ALA A 107 -4.911 -4.753 1.556 1.00 0.50 H new ATOM 1131 N LEU A 108 -3.265 -3.071 -0.210 1.00 0.34 N ATOM 1132 CA LEU A 108 -3.210 -1.962 -1.151 1.00 0.34 C ATOM 1133 C LEU A 108 -1.931 -2.032 -1.979 1.00 0.27 C ATOM 1134 O LEU A 108 -1.964 -1.828 -3.196 1.00 0.27 O ATOM 1135 CB LEU A 108 -3.296 -0.616 -0.424 1.00 0.40 C ATOM 1136 CG LEU A 108 -4.695 0.007 -0.361 1.00 0.61 C ATOM 1137 CD1 LEU A 108 -5.192 0.341 -1.757 1.00 1.23 C ATOM 1138 CD2 LEU A 108 -5.672 -0.922 0.340 1.00 1.32 C ATOM 0 H LEU A 108 -3.270 -2.795 0.772 1.00 0.34 H new ATOM 0 HA LEU A 108 -4.069 -2.043 -1.818 1.00 0.34 H new ATOM 0 HB2 LEU A 108 -2.929 -0.748 0.594 1.00 0.40 H new ATOM 0 HB3 LEU A 108 -2.625 0.088 -0.917 1.00 0.40 H new ATOM 0 HG LEU A 108 -4.629 0.930 0.216 1.00 0.61 H new ATOM 0 HD11 LEU A 108 -6.187 0.782 -1.693 1.00 1.23 H new ATOM 0 HD12 LEU A 108 -4.510 1.050 -2.226 1.00 1.23 H new ATOM 0 HD13 LEU A 108 -5.237 -0.569 -2.355 1.00 1.23 H new ATOM 0 HD21 LEU A 108 -6.657 -0.457 0.372 1.00 1.32 H new ATOM 0 HD22 LEU A 108 -5.733 -1.864 -0.205 1.00 1.32 H new ATOM 0 HD23 LEU A 108 -5.328 -1.112 1.357 1.00 1.32 H new ATOM 1150 N ALA A 109 -0.817 -2.340 -1.313 1.00 0.23 N ATOM 1151 CA ALA A 109 0.472 -2.504 -1.983 1.00 0.24 C ATOM 1152 C ALA A 109 0.371 -3.536 -3.097 1.00 0.26 C ATOM 1153 O ALA A 109 0.673 -3.249 -4.255 1.00 0.26 O ATOM 1154 CB ALA A 109 1.552 -2.921 -0.988 1.00 0.26 C ATOM 0 H ALA A 109 -0.783 -2.481 -0.303 1.00 0.23 H new ATOM 0 HA ALA A 109 0.748 -1.543 -2.416 1.00 0.24 H new ATOM 0 HB1 ALA A 109 2.502 -3.037 -1.510 1.00 0.26 H new ATOM 0 HB2 ALA A 109 1.652 -2.156 -0.218 1.00 0.26 H new ATOM 0 HB3 ALA A 109 1.274 -3.868 -0.525 1.00 0.26 H new ATOM 1160 N ASN A 110 -0.082 -4.730 -2.738 1.00 0.31 N ATOM 1161 CA ASN A 110 -0.187 -5.821 -3.692 1.00 0.37 C ATOM 1162 C ASN A 110 -1.175 -5.486 -4.798 1.00 0.35 C ATOM 1163 O ASN A 110 -0.912 -5.755 -5.968 1.00 0.38 O ATOM 1164 CB ASN A 110 -0.606 -7.117 -2.998 1.00 0.45 C ATOM 1165 CG ASN A 110 0.457 -7.683 -2.076 1.00 0.52 C ATOM 1166 OD1 ASN A 110 0.143 -8.334 -1.086 1.00 1.36 O ATOM 1167 ND2 ASN A 110 1.722 -7.448 -2.393 1.00 0.83 N ATOM 0 H ASN A 110 -0.382 -4.966 -1.792 1.00 0.31 H new ATOM 0 HA ASN A 110 0.799 -5.964 -4.135 1.00 0.37 H new ATOM 0 HB2 ASN A 110 -1.514 -6.934 -2.423 1.00 0.45 H new ATOM 0 HB3 ASN A 110 -0.852 -7.862 -3.755 1.00 0.45 H new ATOM 0 HD21 ASN A 110 2.471 -7.813 -1.805 1.00 0.83 H new ATOM 0 HD22 ASN A 110 1.946 -6.902 -3.225 1.00 0.83 H new ATOM 1174 N HIS A 111 -2.296 -4.880 -4.430 1.00 0.35 N ATOM 1175 CA HIS A 111 -3.315 -4.537 -5.408 1.00 0.37 C ATOM 1176 C HIS A 111 -2.773 -3.557 -6.451 1.00 0.31 C ATOM 1177 O HIS A 111 -3.000 -3.733 -7.642 1.00 0.36 O ATOM 1178 CB HIS A 111 -4.549 -3.936 -4.742 1.00 0.48 C ATOM 1179 CG HIS A 111 -5.673 -3.727 -5.711 1.00 0.53 C ATOM 1180 ND1 HIS A 111 -6.376 -4.771 -6.275 1.00 0.60 N ATOM 1181 CD2 HIS A 111 -6.185 -2.595 -6.251 1.00 0.57 C ATOM 1182 CE1 HIS A 111 -7.264 -4.290 -7.125 1.00 0.67 C ATOM 1183 NE2 HIS A 111 -7.170 -2.976 -7.129 1.00 0.66 N ATOM 0 H HIS A 111 -2.520 -4.618 -3.470 1.00 0.35 H new ATOM 0 HA HIS A 111 -3.601 -5.464 -5.905 1.00 0.37 H new ATOM 0 HB2 HIS A 111 -4.882 -4.593 -3.939 1.00 0.48 H new ATOM 0 HB3 HIS A 111 -4.284 -2.983 -4.285 1.00 0.48 H new ATOM 0 HD2 HIS A 111 -5.877 -1.583 -6.032 1.00 0.57 H new ATOM 0 HE1 HIS A 111 -7.952 -4.875 -7.717 1.00 0.67 H new ATOM 0 HE2 HIS A 111 -7.737 -2.343 -7.693 1.00 0.66 H new ATOM 1192 N LEU A 112 -2.070 -2.520 -5.994 1.00 0.25 N ATOM 1193 CA LEU A 112 -1.530 -1.497 -6.892 1.00 0.24 C ATOM 1194 C LEU A 112 -0.439 -2.072 -7.793 1.00 0.25 C ATOM 1195 O LEU A 112 -0.373 -1.756 -8.986 1.00 0.29 O ATOM 1196 CB LEU A 112 -0.984 -0.314 -6.090 1.00 0.25 C ATOM 1197 CG LEU A 112 -2.025 0.455 -5.278 1.00 0.33 C ATOM 1198 CD1 LEU A 112 -1.349 1.496 -4.404 1.00 0.89 C ATOM 1199 CD2 LEU A 112 -3.048 1.107 -6.195 1.00 0.57 C ATOM 0 H LEU A 112 -1.861 -2.366 -5.008 1.00 0.25 H new ATOM 0 HA LEU A 112 -2.344 -1.147 -7.527 1.00 0.24 H new ATOM 0 HB2 LEU A 112 -0.214 -0.680 -5.411 1.00 0.25 H new ATOM 0 HB3 LEU A 112 -0.499 0.378 -6.778 1.00 0.25 H new ATOM 0 HG LEU A 112 -2.549 -0.250 -4.633 1.00 0.33 H new ATOM 0 HD11 LEU A 112 -2.103 2.036 -3.832 1.00 0.89 H new ATOM 0 HD12 LEU A 112 -0.658 1.003 -3.720 1.00 0.89 H new ATOM 0 HD13 LEU A 112 -0.800 2.197 -5.032 1.00 0.89 H new ATOM 0 HD21 LEU A 112 -3.780 1.649 -5.596 1.00 0.57 H new ATOM 0 HD22 LEU A 112 -2.544 1.801 -6.868 1.00 0.57 H new ATOM 0 HD23 LEU A 112 -3.555 0.339 -6.779 1.00 0.57 H new ATOM 1211 N ILE A 113 0.407 -2.918 -7.218 1.00 0.27 N ATOM 1212 CA ILE A 113 1.437 -3.604 -7.986 1.00 0.34 C ATOM 1213 C ILE A 113 0.790 -4.481 -9.051 1.00 0.37 C ATOM 1214 O ILE A 113 1.230 -4.509 -10.200 1.00 0.43 O ATOM 1215 CB ILE A 113 2.348 -4.462 -7.079 1.00 0.38 C ATOM 1216 CG1 ILE A 113 3.117 -3.560 -6.111 1.00 0.35 C ATOM 1217 CG2 ILE A 113 3.323 -5.283 -7.912 1.00 0.46 C ATOM 1218 CD1 ILE A 113 3.978 -4.311 -5.117 1.00 0.38 C ATOM 0 H ILE A 113 0.400 -3.145 -6.224 1.00 0.27 H new ATOM 0 HA ILE A 113 2.060 -2.847 -8.463 1.00 0.34 H new ATOM 0 HB ILE A 113 1.721 -5.148 -6.510 1.00 0.38 H new ATOM 0 HG12 ILE A 113 3.750 -2.884 -6.686 1.00 0.35 H new ATOM 0 HG13 ILE A 113 2.405 -2.942 -5.564 1.00 0.35 H new ATOM 0 HG21 ILE A 113 3.954 -5.879 -7.252 1.00 0.46 H new ATOM 0 HG22 ILE A 113 2.767 -5.944 -8.576 1.00 0.46 H new ATOM 0 HG23 ILE A 113 3.948 -4.615 -8.505 1.00 0.46 H new ATOM 0 HD11 ILE A 113 4.489 -3.600 -4.468 1.00 0.38 H new ATOM 0 HD12 ILE A 113 3.350 -4.966 -4.514 1.00 0.38 H new ATOM 0 HD13 ILE A 113 4.716 -4.908 -5.653 1.00 0.38 H new ATOM 1230 N LYS A 114 -0.275 -5.176 -8.659 1.00 0.36 N ATOM 1231 CA LYS A 114 -1.062 -5.967 -9.596 1.00 0.42 C ATOM 1232 C LYS A 114 -1.546 -5.105 -10.753 1.00 0.36 C ATOM 1233 O LYS A 114 -1.429 -5.500 -11.905 1.00 0.39 O ATOM 1234 CB LYS A 114 -2.259 -6.618 -8.892 1.00 0.52 C ATOM 1235 CG LYS A 114 -3.287 -7.200 -9.855 1.00 0.64 C ATOM 1236 CD LYS A 114 -4.468 -7.814 -9.119 1.00 0.93 C ATOM 1237 CE LYS A 114 -5.640 -8.090 -10.054 1.00 1.55 C ATOM 1238 NZ LYS A 114 -5.296 -9.045 -11.142 1.00 2.07 N ATOM 0 H LYS A 114 -0.612 -5.206 -7.697 1.00 0.36 H new ATOM 0 HA LYS A 114 -0.420 -6.755 -9.989 1.00 0.42 H new ATOM 0 HB2 LYS A 114 -1.898 -7.410 -8.236 1.00 0.52 H new ATOM 0 HB3 LYS A 114 -2.745 -5.876 -8.258 1.00 0.52 H new ATOM 0 HG2 LYS A 114 -3.643 -6.416 -10.523 1.00 0.64 H new ATOM 0 HG3 LYS A 114 -2.813 -7.959 -10.478 1.00 0.64 H new ATOM 0 HD2 LYS A 114 -4.156 -8.744 -8.644 1.00 0.93 H new ATOM 0 HD3 LYS A 114 -4.789 -7.142 -8.323 1.00 0.93 H new ATOM 0 HE2 LYS A 114 -6.474 -8.489 -9.476 1.00 1.55 H new ATOM 0 HE3 LYS A 114 -5.977 -7.151 -10.494 1.00 1.55 H new ATOM 0 HZ1 LYS A 114 -6.169 -9.444 -11.543 1.00 2.07 H new ATOM 0 HZ2 LYS A 114 -4.769 -8.547 -11.887 1.00 2.07 H new ATOM 0 HZ3 LYS A 114 -4.709 -9.813 -10.757 1.00 2.07 H new ATOM 1252 N VAL A 115 -2.073 -3.923 -10.439 1.00 0.33 N ATOM 1253 CA VAL A 115 -2.587 -3.013 -11.460 1.00 0.37 C ATOM 1254 C VAL A 115 -1.493 -2.658 -12.468 1.00 0.40 C ATOM 1255 O VAL A 115 -1.724 -2.673 -13.681 1.00 0.43 O ATOM 1256 CB VAL A 115 -3.158 -1.716 -10.842 1.00 0.41 C ATOM 1257 CG1 VAL A 115 -3.709 -0.804 -11.920 1.00 0.50 C ATOM 1258 CG2 VAL A 115 -4.246 -2.035 -9.828 1.00 0.46 C ATOM 0 H VAL A 115 -2.155 -3.573 -9.484 1.00 0.33 H new ATOM 0 HA VAL A 115 -3.397 -3.534 -11.970 1.00 0.37 H new ATOM 0 HB VAL A 115 -2.343 -1.203 -10.332 1.00 0.41 H new ATOM 0 HG11 VAL A 115 -4.105 0.102 -11.462 1.00 0.50 H new ATOM 0 HG12 VAL A 115 -2.912 -0.541 -12.616 1.00 0.50 H new ATOM 0 HG13 VAL A 115 -4.506 -1.317 -12.458 1.00 0.50 H new ATOM 0 HG21 VAL A 115 -4.633 -1.108 -9.406 1.00 0.46 H new ATOM 0 HG22 VAL A 115 -5.055 -2.575 -10.320 1.00 0.46 H new ATOM 0 HG23 VAL A 115 -3.831 -2.651 -9.030 1.00 0.46 H new ATOM 1268 N LYS A 116 -0.301 -2.355 -11.958 1.00 0.44 N ATOM 1269 CA LYS A 116 0.843 -2.052 -12.813 1.00 0.54 C ATOM 1270 C LYS A 116 1.270 -3.271 -13.628 1.00 0.59 C ATOM 1271 O LYS A 116 1.605 -3.147 -14.807 1.00 0.72 O ATOM 1272 CB LYS A 116 2.020 -1.523 -11.978 1.00 0.60 C ATOM 1273 CG LYS A 116 1.906 -0.041 -11.628 1.00 0.93 C ATOM 1274 CD LYS A 116 2.635 0.847 -12.633 1.00 1.13 C ATOM 1275 CE LYS A 116 2.071 0.684 -14.030 1.00 0.85 C ATOM 1276 NZ LYS A 116 2.838 1.443 -15.053 1.00 1.25 N ATOM 0 H LYS A 116 -0.103 -2.313 -10.958 1.00 0.44 H new ATOM 0 HA LYS A 116 0.535 -1.275 -13.512 1.00 0.54 H new ATOM 0 HB2 LYS A 116 2.089 -2.101 -11.056 1.00 0.60 H new ATOM 0 HB3 LYS A 116 2.947 -1.687 -12.527 1.00 0.60 H new ATOM 0 HG2 LYS A 116 0.854 0.242 -11.592 1.00 0.93 H new ATOM 0 HG3 LYS A 116 2.316 0.128 -10.632 1.00 0.93 H new ATOM 0 HD2 LYS A 116 2.553 1.890 -12.326 1.00 1.13 H new ATOM 0 HD3 LYS A 116 3.696 0.599 -12.637 1.00 1.13 H new ATOM 0 HE2 LYS A 116 2.069 -0.373 -14.295 1.00 0.85 H new ATOM 0 HE3 LYS A 116 1.033 1.017 -14.039 1.00 0.85 H new ATOM 0 HZ1 LYS A 116 2.409 1.296 -15.989 1.00 1.25 H new ATOM 0 HZ2 LYS A 116 2.820 2.456 -14.819 1.00 1.25 H new ATOM 0 HZ3 LYS A 116 3.823 1.109 -15.067 1.00 1.25 H new ATOM 1290 N LEU A 117 1.244 -4.447 -13.010 1.00 0.52 N ATOM 1291 CA LEU A 117 1.613 -5.681 -13.702 1.00 0.60 C ATOM 1292 C LEU A 117 0.550 -6.064 -14.734 1.00 0.54 C ATOM 1293 O LEU A 117 0.840 -6.740 -15.719 1.00 0.63 O ATOM 1294 CB LEU A 117 1.812 -6.827 -12.698 1.00 0.66 C ATOM 1295 CG LEU A 117 2.942 -6.633 -11.678 1.00 0.79 C ATOM 1296 CD1 LEU A 117 3.022 -7.824 -10.733 1.00 0.91 C ATOM 1297 CD2 LEU A 117 4.271 -6.424 -12.385 1.00 0.94 C ATOM 0 H LEU A 117 0.973 -4.574 -12.035 1.00 0.52 H new ATOM 0 HA LEU A 117 2.554 -5.506 -14.223 1.00 0.60 H new ATOM 0 HB2 LEU A 117 0.879 -6.975 -12.154 1.00 0.66 H new ATOM 0 HB3 LEU A 117 2.005 -7.744 -13.255 1.00 0.66 H new ATOM 0 HG LEU A 117 2.722 -5.742 -11.090 1.00 0.79 H new ATOM 0 HD11 LEU A 117 3.829 -7.667 -10.018 1.00 0.91 H new ATOM 0 HD12 LEU A 117 2.078 -7.928 -10.198 1.00 0.91 H new ATOM 0 HD13 LEU A 117 3.216 -8.731 -11.306 1.00 0.91 H new ATOM 0 HD21 LEU A 117 5.060 -6.288 -11.645 1.00 0.94 H new ATOM 0 HD22 LEU A 117 4.497 -7.295 -13.000 1.00 0.94 H new ATOM 0 HD23 LEU A 117 4.211 -5.539 -13.018 1.00 0.94 H new ATOM 1309 N GLU A 118 -0.678 -5.626 -14.499 1.00 0.44 N ATOM 1310 CA GLU A 118 -1.768 -5.837 -15.441 1.00 0.46 C ATOM 1311 C GLU A 118 -1.579 -4.971 -16.681 1.00 0.49 C ATOM 1312 O GLU A 118 -2.193 -5.213 -17.719 1.00 0.54 O ATOM 1313 CB GLU A 118 -3.109 -5.492 -14.798 1.00 0.51 C ATOM 1314 CG GLU A 118 -3.582 -6.479 -13.746 1.00 0.63 C ATOM 1315 CD GLU A 118 -4.032 -7.797 -14.334 1.00 0.90 C ATOM 1316 OE1 GLU A 118 -4.509 -7.807 -15.492 1.00 1.17 O ATOM 1317 OE2 GLU A 118 -3.943 -8.819 -13.628 1.00 1.65 O ATOM 0 H GLU A 118 -0.946 -5.118 -13.656 1.00 0.44 H new ATOM 0 HA GLU A 118 -1.762 -6.889 -15.726 1.00 0.46 H new ATOM 0 HB2 GLU A 118 -3.034 -4.505 -14.342 1.00 0.51 H new ATOM 0 HB3 GLU A 118 -3.865 -5.426 -15.580 1.00 0.51 H new ATOM 0 HG2 GLU A 118 -2.775 -6.661 -13.037 1.00 0.63 H new ATOM 0 HG3 GLU A 118 -4.406 -6.037 -13.185 1.00 0.63 H new ATOM 1324 N GLY A 119 -0.743 -3.951 -16.556 1.00 0.55 N ATOM 1325 CA GLY A 119 -0.506 -3.047 -17.659 1.00 0.66 C ATOM 1326 C GLY A 119 -1.197 -1.717 -17.460 1.00 0.63 C ATOM 1327 O GLY A 119 -0.902 -0.743 -18.154 1.00 0.80 O ATOM 0 H GLY A 119 -0.223 -3.734 -15.706 1.00 0.55 H new ATOM 0 HA2 GLY A 119 0.566 -2.885 -17.771 1.00 0.66 H new ATOM 0 HA3 GLY A 119 -0.858 -3.504 -18.584 1.00 0.66 H new ATOM 1331 N HIS A 120 -2.102 -1.668 -16.495 1.00 0.58 N ATOM 1332 CA HIS A 120 -2.896 -0.474 -16.261 1.00 0.62 C ATOM 1333 C HIS A 120 -2.131 0.489 -15.363 1.00 0.57 C ATOM 1334 O HIS A 120 -1.075 0.147 -14.828 1.00 0.57 O ATOM 1335 CB HIS A 120 -4.242 -0.828 -15.619 1.00 0.66 C ATOM 1336 CG HIS A 120 -4.991 -1.926 -16.314 1.00 0.71 C ATOM 1337 ND1 HIS A 120 -5.655 -1.756 -17.508 1.00 0.94 N ATOM 1338 CD2 HIS A 120 -5.185 -3.216 -15.961 1.00 0.78 C ATOM 1339 CE1 HIS A 120 -6.222 -2.897 -17.862 1.00 1.06 C ATOM 1340 NE2 HIS A 120 -5.950 -3.800 -16.939 1.00 0.95 N ATOM 0 H HIS A 120 -2.304 -2.442 -15.862 1.00 0.58 H new ATOM 0 HA HIS A 120 -3.090 0.003 -17.222 1.00 0.62 H new ATOM 0 HB2 HIS A 120 -4.071 -1.121 -14.583 1.00 0.66 H new ATOM 0 HB3 HIS A 120 -4.867 0.065 -15.599 1.00 0.66 H new ATOM 0 HD2 HIS A 120 -4.807 -3.699 -15.072 1.00 0.78 H new ATOM 0 HE1 HIS A 120 -6.808 -3.062 -18.754 1.00 1.06 H new ATOM 0 HE2 HIS A 120 -6.258 -4.772 -16.951 1.00 0.95 H new ATOM 1349 N GLU A 121 -2.669 1.682 -15.184 1.00 0.64 N ATOM 1350 CA GLU A 121 -1.997 2.709 -14.407 1.00 0.69 C ATOM 1351 C GLU A 121 -2.862 3.158 -13.236 1.00 0.65 C ATOM 1352 O GLU A 121 -4.067 3.374 -13.385 1.00 0.72 O ATOM 1353 CB GLU A 121 -1.640 3.901 -15.306 1.00 0.89 C ATOM 1354 CG GLU A 121 -2.819 4.445 -16.095 1.00 1.75 C ATOM 1355 CD GLU A 121 -2.420 5.523 -17.082 1.00 2.84 C ATOM 1356 OE1 GLU A 121 -1.948 5.179 -18.189 1.00 3.29 O ATOM 1357 OE2 GLU A 121 -2.569 6.718 -16.756 1.00 3.60 O ATOM 0 H GLU A 121 -3.571 1.964 -15.567 1.00 0.64 H new ATOM 0 HA GLU A 121 -1.077 2.289 -14.001 1.00 0.69 H new ATOM 0 HB2 GLU A 121 -1.227 4.699 -14.689 1.00 0.89 H new ATOM 0 HB3 GLU A 121 -0.857 3.599 -16.001 1.00 0.89 H new ATOM 0 HG2 GLU A 121 -3.299 3.627 -16.632 1.00 1.75 H new ATOM 0 HG3 GLU A 121 -3.558 4.849 -15.403 1.00 1.75 H new ATOM 1364 N LEU A 122 -2.247 3.265 -12.069 1.00 0.71 N ATOM 1365 CA LEU A 122 -2.933 3.767 -10.887 1.00 0.72 C ATOM 1366 C LEU A 122 -3.099 5.281 -10.991 1.00 0.76 C ATOM 1367 O LEU A 122 -2.196 5.981 -11.448 1.00 0.88 O ATOM 1368 CB LEU A 122 -2.185 3.362 -9.602 1.00 0.80 C ATOM 1369 CG LEU A 122 -0.663 3.213 -9.723 1.00 0.79 C ATOM 1370 CD1 LEU A 122 0.013 4.550 -9.974 1.00 1.51 C ATOM 1371 CD2 LEU A 122 -0.100 2.562 -8.475 1.00 0.97 C ATOM 0 H LEU A 122 -1.272 3.010 -11.914 1.00 0.71 H new ATOM 0 HA LEU A 122 -3.925 3.318 -10.833 1.00 0.72 H new ATOM 0 HB2 LEU A 122 -2.396 4.106 -8.834 1.00 0.80 H new ATOM 0 HB3 LEU A 122 -2.595 2.415 -9.251 1.00 0.80 H new ATOM 0 HG LEU A 122 -0.458 2.574 -10.582 1.00 0.79 H new ATOM 0 HD11 LEU A 122 1.090 4.404 -10.054 1.00 1.51 H new ATOM 0 HD12 LEU A 122 -0.365 4.980 -10.902 1.00 1.51 H new ATOM 0 HD13 LEU A 122 -0.201 5.227 -9.147 1.00 1.51 H new ATOM 0 HD21 LEU A 122 0.981 2.462 -8.573 1.00 0.97 H new ATOM 0 HD22 LEU A 122 -0.330 3.180 -7.607 1.00 0.97 H new ATOM 0 HD23 LEU A 122 -0.546 1.576 -8.346 1.00 0.97 H new ATOM 1383 N PRO A 123 -4.261 5.807 -10.576 1.00 0.79 N ATOM 1384 CA PRO A 123 -4.604 7.222 -10.754 1.00 0.89 C ATOM 1385 C PRO A 123 -3.900 8.143 -9.758 1.00 0.80 C ATOM 1386 O PRO A 123 -4.120 9.356 -9.771 1.00 0.89 O ATOM 1387 CB PRO A 123 -6.125 7.263 -10.514 1.00 1.01 C ATOM 1388 CG PRO A 123 -6.562 5.843 -10.331 1.00 0.93 C ATOM 1389 CD PRO A 123 -5.345 5.072 -9.914 1.00 0.83 C ATOM 0 HA PRO A 123 -4.294 7.577 -11.737 1.00 0.89 H new ATOM 0 HB2 PRO A 123 -6.363 7.859 -9.633 1.00 1.01 H new ATOM 0 HB3 PRO A 123 -6.639 7.722 -11.358 1.00 1.01 H new ATOM 0 HG2 PRO A 123 -7.344 5.772 -9.575 1.00 0.93 H new ATOM 0 HG3 PRO A 123 -6.976 5.443 -11.256 1.00 0.93 H new ATOM 0 HD2 PRO A 123 -5.224 5.059 -8.831 1.00 0.83 H new ATOM 0 HD3 PRO A 123 -5.390 4.033 -10.242 1.00 0.83 H new ATOM 1397 N ALA A 124 -3.063 7.559 -8.894 1.00 0.67 N ATOM 1398 CA ALA A 124 -2.407 8.296 -7.807 1.00 0.67 C ATOM 1399 C ALA A 124 -3.451 8.871 -6.848 1.00 0.62 C ATOM 1400 O ALA A 124 -3.180 9.793 -6.078 1.00 0.71 O ATOM 1401 CB ALA A 124 -1.501 9.394 -8.359 1.00 0.87 C ATOM 0 H ALA A 124 -2.822 6.568 -8.927 1.00 0.67 H new ATOM 0 HA ALA A 124 -1.779 7.601 -7.250 1.00 0.67 H new ATOM 0 HB1 ALA A 124 -1.027 9.924 -7.533 1.00 0.87 H new ATOM 0 HB2 ALA A 124 -0.733 8.948 -8.992 1.00 0.87 H new ATOM 0 HB3 ALA A 124 -2.095 10.094 -8.947 1.00 0.87 H new ATOM 1407 N ASP A 125 -4.638 8.287 -6.895 1.00 0.57 N ATOM 1408 CA ASP A 125 -5.748 8.707 -6.060 1.00 0.57 C ATOM 1409 C ASP A 125 -6.355 7.493 -5.380 1.00 0.50 C ATOM 1410 O ASP A 125 -6.584 6.469 -6.023 1.00 0.56 O ATOM 1411 CB ASP A 125 -6.803 9.428 -6.907 1.00 0.68 C ATOM 1412 CG ASP A 125 -8.113 9.634 -6.168 1.00 1.13 C ATOM 1413 OD1 ASP A 125 -8.167 10.486 -5.255 1.00 1.35 O ATOM 1414 OD2 ASP A 125 -9.100 8.952 -6.507 1.00 1.94 O ATOM 0 H ASP A 125 -4.857 7.507 -7.515 1.00 0.57 H new ATOM 0 HA ASP A 125 -5.387 9.399 -5.299 1.00 0.57 H new ATOM 0 HB2 ASP A 125 -6.412 10.396 -7.219 1.00 0.68 H new ATOM 0 HB3 ASP A 125 -6.990 8.852 -7.814 1.00 0.68 H new ATOM 1419 N LEU A 126 -6.568 7.597 -4.078 1.00 0.45 N ATOM 1420 CA LEU A 126 -7.201 6.530 -3.317 1.00 0.48 C ATOM 1421 C LEU A 126 -8.708 6.744 -3.253 1.00 0.51 C ATOM 1422 O LEU A 126 -9.193 7.597 -2.510 1.00 0.56 O ATOM 1423 CB LEU A 126 -6.621 6.466 -1.906 1.00 0.54 C ATOM 1424 CG LEU A 126 -5.120 6.186 -1.841 1.00 0.54 C ATOM 1425 CD1 LEU A 126 -4.627 6.268 -0.408 1.00 0.67 C ATOM 1426 CD2 LEU A 126 -4.805 4.820 -2.432 1.00 0.56 C ATOM 0 H LEU A 126 -6.311 8.413 -3.523 1.00 0.45 H new ATOM 0 HA LEU A 126 -7.003 5.584 -3.821 1.00 0.48 H new ATOM 0 HB2 LEU A 126 -6.822 7.412 -1.403 1.00 0.54 H new ATOM 0 HB3 LEU A 126 -7.145 5.690 -1.348 1.00 0.54 H new ATOM 0 HG LEU A 126 -4.603 6.944 -2.430 1.00 0.54 H new ATOM 0 HD11 LEU A 126 -3.556 6.066 -0.379 1.00 0.67 H new ATOM 0 HD12 LEU A 126 -4.819 7.266 -0.014 1.00 0.67 H new ATOM 0 HD13 LEU A 126 -5.152 5.531 0.200 1.00 0.67 H new ATOM 0 HD21 LEU A 126 -3.732 4.638 -2.377 1.00 0.56 H new ATOM 0 HD22 LEU A 126 -5.333 4.050 -1.870 1.00 0.56 H new ATOM 0 HD23 LEU A 126 -5.125 4.792 -3.474 1.00 0.56 H new ATOM 1438 N PRO A 127 -9.471 5.986 -4.052 1.00 0.55 N ATOM 1439 CA PRO A 127 -10.921 6.110 -4.113 1.00 0.61 C ATOM 1440 C PRO A 127 -11.605 5.361 -2.972 1.00 0.50 C ATOM 1441 O PRO A 127 -11.024 4.441 -2.391 1.00 0.46 O ATOM 1442 CB PRO A 127 -11.287 5.480 -5.467 1.00 0.75 C ATOM 1443 CG PRO A 127 -10.002 5.025 -6.078 1.00 0.72 C ATOM 1444 CD PRO A 127 -8.998 4.949 -4.966 1.00 0.63 C ATOM 0 HA PRO A 127 -11.246 7.146 -4.017 1.00 0.61 H new ATOM 0 HB2 PRO A 127 -11.972 4.643 -5.334 1.00 0.75 H new ATOM 0 HB3 PRO A 127 -11.789 6.203 -6.110 1.00 0.75 H new ATOM 0 HG2 PRO A 127 -10.124 4.053 -6.556 1.00 0.72 H new ATOM 0 HG3 PRO A 127 -9.673 5.721 -6.850 1.00 0.72 H new ATOM 0 HD2 PRO A 127 -8.986 3.966 -4.495 1.00 0.63 H new ATOM 0 HD3 PRO A 127 -7.985 5.147 -5.317 1.00 0.63 H new ATOM 1452 N PRO A 128 -12.855 5.737 -2.645 1.00 0.52 N ATOM 1453 CA PRO A 128 -13.616 5.118 -1.553 1.00 0.52 C ATOM 1454 C PRO A 128 -13.766 3.602 -1.699 1.00 0.50 C ATOM 1455 O PRO A 128 -14.020 2.905 -0.723 1.00 0.58 O ATOM 1456 CB PRO A 128 -14.983 5.790 -1.632 1.00 0.66 C ATOM 1457 CG PRO A 128 -14.748 7.076 -2.340 1.00 0.71 C ATOM 1458 CD PRO A 128 -13.618 6.820 -3.296 1.00 0.63 C ATOM 0 HA PRO A 128 -13.107 5.255 -0.599 1.00 0.52 H new ATOM 0 HB2 PRO A 128 -15.696 5.168 -2.173 1.00 0.66 H new ATOM 0 HB3 PRO A 128 -15.397 5.958 -0.638 1.00 0.66 H new ATOM 0 HG2 PRO A 128 -15.643 7.399 -2.871 1.00 0.71 H new ATOM 0 HG3 PRO A 128 -14.492 7.868 -1.636 1.00 0.71 H new ATOM 0 HD2 PRO A 128 -13.983 6.519 -4.278 1.00 0.63 H new ATOM 0 HD3 PRO A 128 -13.006 7.710 -3.442 1.00 0.63 H new ATOM 1466 N HIS A 129 -13.599 3.094 -2.917 1.00 0.50 N ATOM 1467 CA HIS A 129 -13.733 1.658 -3.157 1.00 0.59 C ATOM 1468 C HIS A 129 -12.389 0.944 -3.016 1.00 0.60 C ATOM 1469 O HIS A 129 -12.252 -0.217 -3.399 1.00 0.74 O ATOM 1470 CB HIS A 129 -14.364 1.372 -4.534 1.00 0.71 C ATOM 1471 CG HIS A 129 -13.593 1.892 -5.715 1.00 0.74 C ATOM 1472 ND1 HIS A 129 -13.994 2.983 -6.449 1.00 0.79 N ATOM 1473 CD2 HIS A 129 -12.457 1.445 -6.305 1.00 0.86 C ATOM 1474 CE1 HIS A 129 -13.143 3.186 -7.437 1.00 0.91 C ATOM 1475 NE2 HIS A 129 -12.198 2.266 -7.375 1.00 0.94 N ATOM 0 H HIS A 129 -13.373 3.646 -3.744 1.00 0.50 H new ATOM 0 HA HIS A 129 -14.405 1.264 -2.395 1.00 0.59 H new ATOM 0 HB2 HIS A 129 -14.482 0.294 -4.644 1.00 0.71 H new ATOM 0 HB3 HIS A 129 -15.364 1.806 -4.554 1.00 0.71 H new ATOM 0 HD2 HIS A 129 -11.864 0.598 -5.991 1.00 0.86 H new ATOM 0 HE1 HIS A 129 -13.209 3.973 -8.173 1.00 0.91 H new ATOM 0 HE2 HIS A 129 -11.408 2.180 -8.015 1.00 0.94 H new ATOM 1484 N LEU A 130 -11.399 1.644 -2.476 1.00 0.50 N ATOM 1485 CA LEU A 130 -10.110 1.032 -2.173 1.00 0.56 C ATOM 1486 C LEU A 130 -9.702 1.311 -0.733 1.00 0.56 C ATOM 1487 O LEU A 130 -8.880 0.592 -0.165 1.00 0.64 O ATOM 1488 CB LEU A 130 -9.019 1.528 -3.128 1.00 0.60 C ATOM 1489 CG LEU A 130 -9.104 0.977 -4.554 1.00 0.71 C ATOM 1490 CD1 LEU A 130 -7.945 1.478 -5.404 1.00 0.79 C ATOM 1491 CD2 LEU A 130 -9.125 -0.548 -4.536 1.00 0.83 C ATOM 0 H LEU A 130 -11.463 2.634 -2.239 1.00 0.50 H new ATOM 0 HA LEU A 130 -10.222 -0.044 -2.306 1.00 0.56 H new ATOM 0 HB2 LEU A 130 -9.064 2.616 -3.172 1.00 0.60 H new ATOM 0 HB3 LEU A 130 -8.047 1.266 -2.711 1.00 0.60 H new ATOM 0 HG LEU A 130 -10.032 1.336 -4.999 1.00 0.71 H new ATOM 0 HD11 LEU A 130 -8.030 1.071 -6.412 1.00 0.79 H new ATOM 0 HD12 LEU A 130 -7.971 2.567 -5.449 1.00 0.79 H new ATOM 0 HD13 LEU A 130 -7.003 1.155 -4.961 1.00 0.79 H new ATOM 0 HD21 LEU A 130 -9.186 -0.923 -5.558 1.00 0.83 H new ATOM 0 HD22 LEU A 130 -8.214 -0.919 -4.067 1.00 0.83 H new ATOM 0 HD23 LEU A 130 -9.991 -0.893 -3.971 1.00 0.83 H new ATOM 1503 N VAL A 131 -10.274 2.355 -0.147 1.00 0.58 N ATOM 1504 CA VAL A 131 -9.989 2.699 1.240 1.00 0.65 C ATOM 1505 C VAL A 131 -11.105 2.212 2.158 1.00 0.79 C ATOM 1506 O VAL A 131 -12.286 2.469 1.909 1.00 0.92 O ATOM 1507 CB VAL A 131 -9.785 4.224 1.434 1.00 0.68 C ATOM 1508 CG1 VAL A 131 -8.545 4.693 0.692 1.00 1.44 C ATOM 1509 CG2 VAL A 131 -11.005 5.008 0.972 1.00 1.40 C ATOM 0 H VAL A 131 -10.937 2.977 -0.610 1.00 0.58 H new ATOM 0 HA VAL A 131 -9.057 2.198 1.503 1.00 0.65 H new ATOM 0 HB VAL A 131 -9.649 4.409 2.499 1.00 0.68 H new ATOM 0 HG11 VAL A 131 -8.417 5.765 0.839 1.00 1.44 H new ATOM 0 HG12 VAL A 131 -7.671 4.167 1.076 1.00 1.44 H new ATOM 0 HG13 VAL A 131 -8.656 4.483 -0.372 1.00 1.44 H new ATOM 0 HG21 VAL A 131 -10.831 6.074 1.121 1.00 1.40 H new ATOM 0 HG22 VAL A 131 -11.183 4.814 -0.086 1.00 1.40 H new ATOM 0 HG23 VAL A 131 -11.876 4.699 1.549 1.00 1.40 H new ATOM 1519 N PRO A 132 -10.746 1.480 3.224 1.00 0.88 N ATOM 1520 CA PRO A 132 -11.710 1.016 4.224 1.00 1.09 C ATOM 1521 C PRO A 132 -12.387 2.190 4.931 1.00 1.10 C ATOM 1522 O PRO A 132 -11.815 3.279 5.019 1.00 0.97 O ATOM 1523 CB PRO A 132 -10.855 0.214 5.213 1.00 1.22 C ATOM 1524 CG PRO A 132 -9.602 -0.108 4.477 1.00 1.22 C ATOM 1525 CD PRO A 132 -9.378 1.037 3.534 1.00 0.93 C ATOM 0 HA PRO A 132 -12.516 0.430 3.781 1.00 1.09 H new ATOM 0 HB2 PRO A 132 -10.645 0.794 6.112 1.00 1.22 H new ATOM 0 HB3 PRO A 132 -11.368 -0.693 5.531 1.00 1.22 H new ATOM 0 HG2 PRO A 132 -8.763 -0.220 5.163 1.00 1.22 H new ATOM 0 HG3 PRO A 132 -9.697 -1.049 3.935 1.00 1.22 H new ATOM 0 HD2 PRO A 132 -8.791 1.831 3.995 1.00 0.93 H new ATOM 0 HD3 PRO A 132 -8.842 0.724 2.638 1.00 0.93 H new ATOM 1533 N PRO A 133 -13.609 1.981 5.449 1.00 1.36 N ATOM 1534 CA PRO A 133 -14.389 3.041 6.102 1.00 1.54 C ATOM 1535 C PRO A 133 -13.624 3.709 7.233 1.00 1.51 C ATOM 1536 O PRO A 133 -13.818 4.889 7.513 1.00 1.67 O ATOM 1537 CB PRO A 133 -15.613 2.307 6.648 1.00 1.84 C ATOM 1538 CG PRO A 133 -15.733 1.094 5.799 1.00 1.86 C ATOM 1539 CD PRO A 133 -14.332 0.700 5.434 1.00 1.58 C ATOM 0 HA PRO A 133 -14.635 3.845 5.409 1.00 1.54 H new ATOM 0 HB2 PRO A 133 -15.482 2.045 7.698 1.00 1.84 H new ATOM 0 HB3 PRO A 133 -16.508 2.926 6.583 1.00 1.84 H new ATOM 0 HG2 PRO A 133 -16.236 0.290 6.337 1.00 1.86 H new ATOM 0 HG3 PRO A 133 -16.325 1.300 4.907 1.00 1.86 H new ATOM 0 HD2 PRO A 133 -13.913 -0.007 6.150 1.00 1.58 H new ATOM 0 HD3 PRO A 133 -14.289 0.225 4.454 1.00 1.58 H new ATOM 1547 N SER A 134 -12.739 2.951 7.863 1.00 1.40 N ATOM 1548 CA SER A 134 -11.914 3.462 8.945 1.00 1.43 C ATOM 1549 C SER A 134 -11.063 4.650 8.475 1.00 1.30 C ATOM 1550 O SER A 134 -10.798 5.577 9.237 1.00 1.46 O ATOM 1551 CB SER A 134 -11.019 2.340 9.475 1.00 1.43 C ATOM 1552 OG SER A 134 -11.761 1.138 9.629 1.00 2.07 O ATOM 0 H SER A 134 -12.574 1.970 7.639 1.00 1.40 H new ATOM 0 HA SER A 134 -12.564 3.816 9.745 1.00 1.43 H new ATOM 0 HB2 SER A 134 -10.188 2.175 8.789 1.00 1.43 H new ATOM 0 HB3 SER A 134 -10.588 2.633 10.432 1.00 1.43 H new ATOM 0 HG SER A 134 -11.172 0.431 9.967 1.00 2.07 H new ATOM 1558 N LYS A 135 -10.663 4.627 7.206 1.00 1.09 N ATOM 1559 CA LYS A 135 -9.852 5.697 6.638 1.00 1.04 C ATOM 1560 C LYS A 135 -10.719 6.705 5.875 1.00 1.20 C ATOM 1561 O LYS A 135 -10.201 7.608 5.222 1.00 1.27 O ATOM 1562 CB LYS A 135 -8.781 5.131 5.693 1.00 0.89 C ATOM 1563 CG LYS A 135 -7.590 4.477 6.390 1.00 0.87 C ATOM 1564 CD LYS A 135 -7.869 3.038 6.813 1.00 0.93 C ATOM 1565 CE LYS A 135 -6.649 2.422 7.497 1.00 1.23 C ATOM 1566 NZ LYS A 135 -6.887 1.031 7.977 1.00 1.27 N ATOM 0 H LYS A 135 -10.888 3.877 6.552 1.00 1.09 H new ATOM 0 HA LYS A 135 -9.364 6.208 7.468 1.00 1.04 H new ATOM 0 HB2 LYS A 135 -9.248 4.396 5.037 1.00 0.89 H new ATOM 0 HB3 LYS A 135 -8.414 5.938 5.058 1.00 0.89 H new ATOM 0 HG2 LYS A 135 -6.729 4.494 5.721 1.00 0.87 H new ATOM 0 HG3 LYS A 135 -7.322 5.064 7.269 1.00 0.87 H new ATOM 0 HD2 LYS A 135 -8.722 3.013 7.491 1.00 0.93 H new ATOM 0 HD3 LYS A 135 -8.139 2.444 5.940 1.00 0.93 H new ATOM 0 HE2 LYS A 135 -5.811 2.421 6.800 1.00 1.23 H new ATOM 0 HE3 LYS A 135 -6.360 3.047 8.342 1.00 1.23 H new ATOM 0 HZ1 LYS A 135 -6.069 0.711 8.534 1.00 1.27 H new ATOM 0 HZ2 LYS A 135 -7.740 1.010 8.572 1.00 1.27 H new ATOM 0 HZ3 LYS A 135 -7.018 0.400 7.161 1.00 1.27 H new ATOM 1580 N ARG A 136 -12.034 6.549 5.965 1.00 1.35 N ATOM 1581 CA ARG A 136 -12.958 7.412 5.241 1.00 1.57 C ATOM 1582 C ARG A 136 -13.530 8.491 6.146 1.00 1.86 C ATOM 1583 O ARG A 136 -13.635 8.310 7.358 1.00 1.91 O ATOM 1584 CB ARG A 136 -14.100 6.600 4.629 1.00 1.66 C ATOM 1585 CG ARG A 136 -13.690 5.772 3.425 1.00 1.55 C ATOM 1586 CD ARG A 136 -14.904 5.129 2.768 1.00 1.64 C ATOM 1587 NE ARG A 136 -15.898 6.130 2.358 1.00 2.03 N ATOM 1588 CZ ARG A 136 -17.169 5.853 2.054 1.00 2.56 C ATOM 1589 NH1 ARG A 136 -17.612 4.598 2.074 1.00 3.07 N ATOM 1590 NH2 ARG A 136 -18.001 6.836 1.736 1.00 3.04 N ATOM 0 H ARG A 136 -12.485 5.832 6.533 1.00 1.35 H new ATOM 0 HA ARG A 136 -12.393 7.890 4.441 1.00 1.57 H new ATOM 0 HB2 ARG A 136 -14.510 5.937 5.391 1.00 1.66 H new ATOM 0 HB3 ARG A 136 -14.899 7.280 4.335 1.00 1.66 H new ATOM 0 HG2 ARG A 136 -13.173 6.404 2.703 1.00 1.55 H new ATOM 0 HG3 ARG A 136 -12.986 4.999 3.733 1.00 1.55 H new ATOM 0 HD2 ARG A 136 -14.585 4.556 1.897 1.00 1.64 H new ATOM 0 HD3 ARG A 136 -15.363 4.425 3.462 1.00 1.64 H new ATOM 0 HE ARG A 136 -15.597 7.103 2.302 1.00 2.03 H new ATOM 0 HH11 ARG A 136 -16.979 3.838 2.323 1.00 3.07 H new ATOM 0 HH12 ARG A 136 -18.584 4.397 1.840 1.00 3.07 H new ATOM 0 HH21 ARG A 136 -17.670 7.801 1.724 1.00 3.04 H new ATOM 0 HH22 ARG A 136 -18.972 6.627 1.503 1.00 3.04 H new ATOM 1604 N ARG A 137 -13.880 9.620 5.551 1.00 2.15 N ATOM 1605 CA ARG A 137 -14.472 10.726 6.287 1.00 2.50 C ATOM 1606 C ARG A 137 -15.988 10.742 6.088 1.00 2.95 C ATOM 1607 O ARG A 137 -16.505 10.159 5.133 1.00 3.20 O ATOM 1608 CB ARG A 137 -13.881 12.060 5.819 1.00 2.86 C ATOM 1609 CG ARG A 137 -14.374 12.476 4.445 1.00 3.19 C ATOM 1610 CD ARG A 137 -13.841 13.835 4.043 1.00 3.72 C ATOM 1611 NE ARG A 137 -14.493 14.342 2.839 1.00 4.09 N ATOM 1612 CZ ARG A 137 -13.871 15.041 1.892 1.00 4.82 C ATOM 1613 NH1 ARG A 137 -12.575 15.300 2.000 1.00 5.22 N ATOM 1614 NH2 ARG A 137 -14.553 15.486 0.844 1.00 5.46 N ATOM 0 H ARG A 137 -13.763 9.795 4.553 1.00 2.15 H new ATOM 0 HA ARG A 137 -14.249 10.590 7.345 1.00 2.50 H new ATOM 0 HB2 ARG A 137 -14.134 12.837 6.541 1.00 2.86 H new ATOM 0 HB3 ARG A 137 -12.794 11.984 5.801 1.00 2.86 H new ATOM 0 HG2 ARG A 137 -14.067 11.733 3.709 1.00 3.19 H new ATOM 0 HG3 ARG A 137 -15.464 12.497 4.441 1.00 3.19 H new ATOM 0 HD2 ARG A 137 -13.991 14.540 4.861 1.00 3.72 H new ATOM 0 HD3 ARG A 137 -12.766 13.768 3.873 1.00 3.72 H new ATOM 0 HE ARG A 137 -15.487 14.149 2.716 1.00 4.09 H new ATOM 0 HH11 ARG A 137 -12.053 14.964 2.809 1.00 5.22 H new ATOM 0 HH12 ARG A 137 -12.100 15.836 1.274 1.00 5.22 H new ATOM 0 HH21 ARG A 137 -15.551 15.292 0.766 1.00 5.46 H new ATOM 0 HH22 ARG A 137 -14.079 16.022 0.117 1.00 5.46 H new ATOM 1628 N HIS A 138 -16.693 11.388 6.999 1.00 3.24 N ATOM 1629 CA HIS A 138 -18.131 11.564 6.868 1.00 3.79 C ATOM 1630 C HIS A 138 -18.514 13.005 7.168 1.00 4.40 C ATOM 1631 O HIS A 138 -18.117 13.555 8.194 1.00 4.46 O ATOM 1632 CB HIS A 138 -18.891 10.614 7.801 1.00 3.91 C ATOM 1633 CG HIS A 138 -20.376 10.820 7.800 1.00 4.55 C ATOM 1634 ND1 HIS A 138 -21.215 10.247 6.871 1.00 4.96 N ATOM 1635 CD2 HIS A 138 -21.166 11.547 8.622 1.00 5.14 C ATOM 1636 CE1 HIS A 138 -22.460 10.609 7.124 1.00 5.75 C ATOM 1637 NE2 HIS A 138 -22.457 11.396 8.184 1.00 5.80 N ATOM 0 H HIS A 138 -16.293 11.801 7.841 1.00 3.24 H new ATOM 0 HA HIS A 138 -18.407 11.327 5.841 1.00 3.79 H new ATOM 0 HB2 HIS A 138 -18.677 9.586 7.510 1.00 3.91 H new ATOM 0 HB3 HIS A 138 -18.517 10.742 8.817 1.00 3.91 H new ATOM 0 HD2 HIS A 138 -20.841 12.137 9.466 1.00 5.14 H new ATOM 0 HE1 HIS A 138 -23.332 10.312 6.560 1.00 5.75 H new ATOM 0 HE2 HIS A 138 -23.281 11.822 8.608 1.00 5.80 H new ATOM 1646 N GLU A 139 -19.273 13.604 6.268 1.00 4.94 N ATOM 1647 CA GLU A 139 -19.810 14.938 6.481 1.00 5.66 C ATOM 1648 C GLU A 139 -21.055 14.862 7.363 1.00 6.33 C ATOM 1649 O GLU A 139 -20.976 15.243 8.552 1.00 6.61 O ATOM 1650 CB GLU A 139 -20.152 15.610 5.143 1.00 5.83 C ATOM 1651 CG GLU A 139 -18.954 15.837 4.221 1.00 6.14 C ATOM 1652 CD GLU A 139 -18.398 14.555 3.624 1.00 6.54 C ATOM 1653 OE1 GLU A 139 -19.194 13.653 3.292 1.00 6.74 O ATOM 1654 OE2 GLU A 139 -17.163 14.454 3.459 1.00 6.93 O ATOM 1655 OXT GLU A 139 -22.103 14.381 6.874 1.00 6.88 O ATOM 0 H GLU A 139 -19.534 13.185 5.375 1.00 4.94 H new ATOM 0 HA GLU A 139 -19.051 15.540 6.981 1.00 5.66 H new ATOM 0 HB2 GLU A 139 -20.885 14.996 4.620 1.00 5.83 H new ATOM 0 HB3 GLU A 139 -20.626 16.571 5.344 1.00 5.83 H new ATOM 0 HG2 GLU A 139 -19.249 16.507 3.413 1.00 6.14 H new ATOM 0 HG3 GLU A 139 -18.165 16.340 4.780 1.00 6.14 H new TER 1662 GLU A 139 ATOM 1663 N LEU B 143 13.996 13.503 15.972 1.00 8.33 N ATOM 1664 CA LEU B 143 13.793 12.661 14.767 1.00 8.11 C ATOM 1665 C LEU B 143 13.479 13.529 13.558 1.00 7.41 C ATOM 1666 O LEU B 143 12.328 13.906 13.322 1.00 7.62 O ATOM 1667 CB LEU B 143 12.675 11.634 14.995 1.00 8.69 C ATOM 1668 CG LEU B 143 13.093 10.335 15.704 1.00 9.73 C ATOM 1669 CD1 LEU B 143 13.670 10.616 17.085 1.00 10.57 C ATOM 1670 CD2 LEU B 143 11.901 9.391 15.798 1.00 10.05 C ATOM 0 HA LEU B 143 14.718 12.117 14.575 1.00 8.11 H new ATOM 0 HB2 LEU B 143 11.887 12.107 15.580 1.00 8.69 H new ATOM 0 HB3 LEU B 143 12.243 11.375 14.028 1.00 8.69 H new ATOM 0 HG LEU B 143 13.877 9.859 15.115 1.00 9.73 H new ATOM 0 HD11 LEU B 143 13.955 9.676 17.558 1.00 10.57 H new ATOM 0 HD12 LEU B 143 14.548 11.255 16.989 1.00 10.57 H new ATOM 0 HD13 LEU B 143 12.921 11.118 17.697 1.00 10.57 H new ATOM 0 HD21 LEU B 143 12.203 8.472 16.301 1.00 10.05 H new ATOM 0 HD22 LEU B 143 11.102 9.869 16.365 1.00 10.05 H new ATOM 0 HD23 LEU B 143 11.544 9.155 14.796 1.00 10.05 H new ATOM 1684 N GLU B 144 14.518 13.860 12.806 1.00 6.82 N ATOM 1685 CA GLU B 144 14.378 14.715 11.641 1.00 6.37 C ATOM 1686 C GLU B 144 14.621 13.918 10.365 1.00 5.76 C ATOM 1687 O GLU B 144 15.200 12.829 10.417 1.00 6.34 O ATOM 1688 CB GLU B 144 15.354 15.898 11.710 1.00 6.59 C ATOM 1689 CG GLU B 144 15.169 16.804 12.926 1.00 6.77 C ATOM 1690 CD GLU B 144 15.806 16.261 14.194 1.00 7.52 C ATOM 1691 OE1 GLU B 144 17.036 16.402 14.351 1.00 7.76 O ATOM 1692 OE2 GLU B 144 15.076 15.707 15.043 1.00 8.04 O ATOM 0 H GLU B 144 15.472 13.546 12.985 1.00 6.82 H new ATOM 0 HA GLU B 144 13.360 15.105 11.629 1.00 6.37 H new ATOM 0 HB2 GLU B 144 16.373 15.512 11.713 1.00 6.59 H new ATOM 0 HB3 GLU B 144 15.243 16.497 10.806 1.00 6.59 H new ATOM 0 HG2 GLU B 144 15.595 17.783 12.707 1.00 6.77 H new ATOM 0 HG3 GLU B 144 14.103 16.951 13.100 1.00 6.77 H new ATOM 1699 N SER B 145 14.179 14.479 9.231 1.00 4.78 N ATOM 1700 CA SER B 145 14.322 13.858 7.902 1.00 4.29 C ATOM 1701 C SER B 145 13.742 12.441 7.878 1.00 3.58 C ATOM 1702 O SER B 145 12.986 12.059 8.772 1.00 3.60 O ATOM 1703 CB SER B 145 15.796 13.852 7.447 1.00 4.37 C ATOM 1704 OG SER B 145 16.612 13.057 8.290 1.00 5.11 O ATOM 0 H SER B 145 13.708 15.384 9.207 1.00 4.78 H new ATOM 0 HA SER B 145 13.751 14.463 7.198 1.00 4.29 H new ATOM 0 HB2 SER B 145 15.858 13.477 6.425 1.00 4.37 H new ATOM 0 HB3 SER B 145 16.175 14.874 7.435 1.00 4.37 H new ATOM 0 HG SER B 145 16.050 12.584 8.939 1.00 5.11 H new ATOM 1710 N LYS B 146 14.074 11.689 6.823 1.00 3.39 N ATOM 1711 CA LYS B 146 13.681 10.283 6.700 1.00 2.94 C ATOM 1712 C LYS B 146 12.158 10.133 6.631 1.00 2.13 C ATOM 1713 O LYS B 146 11.480 10.050 7.655 1.00 2.58 O ATOM 1714 CB LYS B 146 14.252 9.473 7.872 1.00 3.85 C ATOM 1715 CG LYS B 146 15.770 9.515 7.948 1.00 4.69 C ATOM 1716 CD LYS B 146 16.276 9.087 9.316 1.00 5.34 C ATOM 1717 CE LYS B 146 17.795 9.155 9.402 1.00 6.30 C ATOM 1718 NZ LYS B 146 18.320 10.503 9.054 1.00 6.70 N ATOM 0 H LYS B 146 14.620 12.037 6.035 1.00 3.39 H new ATOM 0 HA LYS B 146 14.092 9.895 5.768 1.00 2.94 H new ATOM 0 HB2 LYS B 146 13.838 9.855 8.805 1.00 3.85 H new ATOM 0 HB3 LYS B 146 13.928 8.436 7.780 1.00 3.85 H new ATOM 0 HG2 LYS B 146 16.191 8.862 7.184 1.00 4.69 H new ATOM 0 HG3 LYS B 146 16.118 10.525 7.731 1.00 4.69 H new ATOM 0 HD2 LYS B 146 15.839 9.728 10.082 1.00 5.34 H new ATOM 0 HD3 LYS B 146 15.945 8.070 9.524 1.00 5.34 H new ATOM 0 HE2 LYS B 146 18.112 8.894 10.412 1.00 6.30 H new ATOM 0 HE3 LYS B 146 18.228 8.414 8.730 1.00 6.30 H new ATOM 0 HZ1 LYS B 146 19.067 10.769 9.727 1.00 6.70 H new ATOM 0 HZ2 LYS B 146 18.712 10.485 8.091 1.00 6.70 H new ATOM 0 HZ3 LYS B 146 17.548 11.199 9.101 1.00 6.70 H new ATOM 1732 N PRO B 147 11.601 10.107 5.410 1.00 1.37 N ATOM 1733 CA PRO B 147 10.158 10.021 5.197 1.00 1.19 C ATOM 1734 C PRO B 147 9.605 8.629 5.491 1.00 0.89 C ATOM 1735 O PRO B 147 10.322 7.745 5.962 1.00 1.17 O ATOM 1736 CB PRO B 147 9.979 10.358 3.706 1.00 1.79 C ATOM 1737 CG PRO B 147 11.329 10.762 3.206 1.00 1.96 C ATOM 1738 CD PRO B 147 12.330 10.152 4.141 1.00 1.74 C ATOM 0 HA PRO B 147 9.619 10.693 5.865 1.00 1.19 H new ATOM 0 HB2 PRO B 147 9.601 9.497 3.155 1.00 1.79 H new ATOM 0 HB3 PRO B 147 9.257 11.164 3.573 1.00 1.79 H new ATOM 0 HG2 PRO B 147 11.486 10.410 2.186 1.00 1.96 H new ATOM 0 HG3 PRO B 147 11.427 11.847 3.187 1.00 1.96 H new ATOM 0 HD2 PRO B 147 12.636 9.158 3.814 1.00 1.74 H new ATOM 0 HD3 PRO B 147 13.235 10.755 4.215 1.00 1.74 H new ATOM 1746 N TYR B 148 8.325 8.439 5.195 1.00 0.63 N ATOM 1747 CA TYR B 148 7.651 7.175 5.464 1.00 0.45 C ATOM 1748 C TYR B 148 7.827 6.222 4.293 1.00 0.40 C ATOM 1749 O TYR B 148 7.514 5.039 4.389 1.00 0.58 O ATOM 1750 CB TYR B 148 6.159 7.412 5.712 1.00 0.52 C ATOM 1751 CG TYR B 148 5.881 8.429 6.796 1.00 0.55 C ATOM 1752 CD1 TYR B 148 5.858 9.789 6.512 1.00 0.63 C ATOM 1753 CD2 TYR B 148 5.641 8.028 8.103 1.00 0.63 C ATOM 1754 CE1 TYR B 148 5.600 10.718 7.500 1.00 0.73 C ATOM 1755 CE2 TYR B 148 5.379 8.951 9.097 1.00 0.72 C ATOM 1756 CZ TYR B 148 5.381 10.305 8.786 1.00 0.75 C ATOM 1757 OH TYR B 148 5.102 11.222 9.780 1.00 0.89 O ATOM 0 H TYR B 148 7.730 9.148 4.766 1.00 0.63 H new ATOM 0 HA TYR B 148 8.096 6.731 6.355 1.00 0.45 H new ATOM 0 HB2 TYR B 148 5.693 7.745 4.785 1.00 0.52 H new ATOM 0 HB3 TYR B 148 5.689 6.466 5.983 1.00 0.52 H new ATOM 0 HD1 TYR B 148 6.045 10.124 5.503 1.00 0.63 H new ATOM 0 HD2 TYR B 148 5.659 6.976 8.347 1.00 0.63 H new ATOM 0 HE1 TYR B 148 5.571 11.770 7.258 1.00 0.73 H new ATOM 0 HE2 TYR B 148 5.175 8.623 10.106 1.00 0.72 H new ATOM 0 HH TYR B 148 4.973 10.753 10.631 1.00 0.89 H new ATOM 1767 N ASN B 149 8.327 6.758 3.189 1.00 0.38 N ATOM 1768 CA ASN B 149 8.530 5.981 1.975 1.00 0.30 C ATOM 1769 C ASN B 149 9.982 5.523 1.883 1.00 0.31 C ATOM 1770 O ASN B 149 10.888 6.342 1.735 1.00 0.36 O ATOM 1771 CB ASN B 149 8.176 6.827 0.752 1.00 0.34 C ATOM 1772 CG ASN B 149 8.075 6.017 -0.533 1.00 0.32 C ATOM 1773 OD1 ASN B 149 8.619 4.920 -0.647 1.00 0.27 O ATOM 1774 ND2 ASN B 149 7.412 6.585 -1.527 1.00 0.43 N ATOM 0 H ASN B 149 8.602 7.737 3.109 1.00 0.38 H new ATOM 0 HA ASN B 149 7.883 5.104 2.004 1.00 0.30 H new ATOM 0 HB2 ASN B 149 7.226 7.332 0.931 1.00 0.34 H new ATOM 0 HB3 ASN B 149 8.931 7.603 0.625 1.00 0.34 H new ATOM 0 HD21 ASN B 149 7.339 6.111 -2.427 1.00 0.43 H new ATOM 0 HD22 ASN B 149 6.974 7.496 -1.393 1.00 0.43 H new ATOM 1781 N PRO B 150 10.218 4.204 1.973 1.00 0.30 N ATOM 1782 CA PRO B 150 11.562 3.619 1.928 1.00 0.34 C ATOM 1783 C PRO B 150 12.180 3.658 0.531 1.00 0.33 C ATOM 1784 O PRO B 150 13.342 3.307 0.345 1.00 0.35 O ATOM 1785 CB PRO B 150 11.342 2.160 2.366 1.00 0.38 C ATOM 1786 CG PRO B 150 9.938 2.091 2.865 1.00 0.51 C ATOM 1787 CD PRO B 150 9.194 3.170 2.141 1.00 0.30 C ATOM 0 HA PRO B 150 12.255 4.173 2.562 1.00 0.34 H new ATOM 0 HB2 PRO B 150 11.494 1.475 1.532 1.00 0.38 H new ATOM 0 HB3 PRO B 150 12.048 1.875 3.146 1.00 0.38 H new ATOM 0 HG2 PRO B 150 9.500 1.113 2.666 1.00 0.51 H new ATOM 0 HG3 PRO B 150 9.898 2.245 3.943 1.00 0.51 H new ATOM 0 HD2 PRO B 150 8.807 2.823 1.183 1.00 0.30 H new ATOM 0 HD3 PRO B 150 8.342 3.532 2.717 1.00 0.30 H new ATOM 1795 N PHE B 151 11.391 4.059 -0.455 1.00 0.32 N ATOM 1796 CA PHE B 151 11.882 4.177 -1.821 1.00 0.35 C ATOM 1797 C PHE B 151 12.033 5.645 -2.191 1.00 0.39 C ATOM 1798 O PHE B 151 12.344 5.988 -3.329 1.00 0.50 O ATOM 1799 CB PHE B 151 10.920 3.486 -2.787 1.00 0.32 C ATOM 1800 CG PHE B 151 10.501 2.123 -2.330 1.00 0.32 C ATOM 1801 CD1 PHE B 151 11.364 1.046 -2.432 1.00 0.40 C ATOM 1802 CD2 PHE B 151 9.244 1.925 -1.788 1.00 0.32 C ATOM 1803 CE1 PHE B 151 10.979 -0.206 -2.000 1.00 0.46 C ATOM 1804 CE2 PHE B 151 8.851 0.676 -1.356 1.00 0.39 C ATOM 1805 CZ PHE B 151 9.721 -0.391 -1.459 1.00 0.45 C ATOM 0 H PHE B 151 10.409 4.308 -0.335 1.00 0.32 H new ATOM 0 HA PHE B 151 12.856 3.692 -1.891 1.00 0.35 H new ATOM 0 HB2 PHE B 151 10.034 4.108 -2.914 1.00 0.32 H new ATOM 0 HB3 PHE B 151 11.394 3.404 -3.765 1.00 0.32 H new ATOM 0 HD1 PHE B 151 12.348 1.187 -2.854 1.00 0.40 H new ATOM 0 HD2 PHE B 151 8.562 2.758 -1.702 1.00 0.32 H new ATOM 0 HE1 PHE B 151 11.660 -1.040 -2.084 1.00 0.46 H new ATOM 0 HE2 PHE B 151 7.865 0.533 -0.938 1.00 0.39 H new ATOM 0 HZ PHE B 151 9.419 -1.370 -1.117 1.00 0.45 H new ATOM 1815 N GLU B 152 11.815 6.501 -1.203 1.00 0.41 N ATOM 1816 CA GLU B 152 11.827 7.942 -1.398 1.00 0.49 C ATOM 1817 C GLU B 152 12.723 8.571 -0.334 1.00 0.59 C ATOM 1818 O GLU B 152 12.564 9.728 0.051 1.00 0.76 O ATOM 1819 CB GLU B 152 10.388 8.455 -1.296 1.00 0.60 C ATOM 1820 CG GLU B 152 10.139 9.816 -1.922 1.00 0.62 C ATOM 1821 CD GLU B 152 8.656 10.098 -2.103 1.00 0.74 C ATOM 1822 OE1 GLU B 152 7.845 9.627 -1.277 1.00 1.01 O ATOM 1823 OE2 GLU B 152 8.289 10.816 -3.063 1.00 1.42 O ATOM 0 H GLU B 152 11.625 6.215 -0.243 1.00 0.41 H new ATOM 0 HA GLU B 152 12.222 8.208 -2.379 1.00 0.49 H new ATOM 0 HB2 GLU B 152 9.726 7.729 -1.769 1.00 0.60 H new ATOM 0 HB3 GLU B 152 10.110 8.501 -0.243 1.00 0.60 H new ATOM 0 HG2 GLU B 152 10.581 10.590 -1.294 1.00 0.62 H new ATOM 0 HG3 GLU B 152 10.638 9.867 -2.890 1.00 0.62 H new ATOM 1830 N GLU B 153 13.677 7.782 0.131 1.00 0.59 N ATOM 1831 CA GLU B 153 14.586 8.208 1.182 1.00 0.78 C ATOM 1832 C GLU B 153 15.851 8.847 0.598 1.00 1.01 C ATOM 1833 O GLU B 153 16.396 8.371 -0.402 1.00 1.71 O ATOM 1834 CB GLU B 153 14.946 7.021 2.086 1.00 0.83 C ATOM 1835 CG GLU B 153 15.326 5.759 1.326 1.00 0.97 C ATOM 1836 CD GLU B 153 15.719 4.609 2.235 1.00 1.00 C ATOM 1837 OE1 GLU B 153 14.853 4.106 2.985 1.00 0.96 O ATOM 1838 OE2 GLU B 153 16.892 4.184 2.188 1.00 1.51 O ATOM 0 H GLU B 153 13.843 6.834 -0.207 1.00 0.59 H new ATOM 0 HA GLU B 153 14.080 8.964 1.782 1.00 0.78 H new ATOM 0 HB2 GLU B 153 15.776 7.308 2.732 1.00 0.83 H new ATOM 0 HB3 GLU B 153 14.098 6.801 2.735 1.00 0.83 H new ATOM 0 HG2 GLU B 153 14.486 5.451 0.703 1.00 0.97 H new ATOM 0 HG3 GLU B 153 16.155 5.983 0.655 1.00 0.97 H new ATOM 1845 N GLU B 154 16.289 9.937 1.236 1.00 1.36 N ATOM 1846 CA GLU B 154 17.503 10.660 0.856 1.00 1.62 C ATOM 1847 C GLU B 154 17.370 11.343 -0.506 1.00 1.57 C ATOM 1848 O GLU B 154 16.301 11.346 -1.115 1.00 1.99 O ATOM 1849 CB GLU B 154 18.724 9.734 0.868 1.00 2.24 C ATOM 1850 CG GLU B 154 19.071 9.209 2.252 1.00 3.46 C ATOM 1851 CD GLU B 154 19.290 10.323 3.256 1.00 4.30 C ATOM 1852 OE1 GLU B 154 18.299 10.790 3.859 1.00 4.79 O ATOM 1853 OE2 GLU B 154 20.449 10.738 3.445 1.00 4.81 O ATOM 0 H GLU B 154 15.806 10.344 2.037 1.00 1.36 H new ATOM 0 HA GLU B 154 17.647 11.441 1.603 1.00 1.62 H new ATOM 0 HB2 GLU B 154 18.537 8.890 0.204 1.00 2.24 H new ATOM 0 HB3 GLU B 154 19.583 10.272 0.466 1.00 2.24 H new ATOM 0 HG2 GLU B 154 18.268 8.560 2.603 1.00 3.46 H new ATOM 0 HG3 GLU B 154 19.971 8.598 2.190 1.00 3.46 H new ATOM 1860 N GLU B 155 18.465 11.943 -0.960 1.00 2.03 N ATOM 1861 CA GLU B 155 18.483 12.659 -2.229 1.00 2.81 C ATOM 1862 C GLU B 155 19.495 12.049 -3.194 1.00 3.40 C ATOM 1863 O GLU B 155 19.126 11.568 -4.267 1.00 3.93 O ATOM 1864 CB GLU B 155 18.828 14.133 -1.998 1.00 3.72 C ATOM 1865 CG GLU B 155 17.691 14.954 -1.410 1.00 4.41 C ATOM 1866 CD GLU B 155 16.554 15.159 -2.392 1.00 5.16 C ATOM 1867 OE1 GLU B 155 16.807 15.654 -3.506 1.00 5.21 O ATOM 1868 OE2 GLU B 155 15.398 14.817 -2.056 1.00 5.98 O ATOM 0 H GLU B 155 19.356 11.947 -0.464 1.00 2.03 H new ATOM 0 HA GLU B 155 17.490 12.578 -2.670 1.00 2.81 H new ATOM 0 HB2 GLU B 155 19.688 14.193 -1.331 1.00 3.72 H new ATOM 0 HB3 GLU B 155 19.129 14.577 -2.947 1.00 3.72 H new ATOM 0 HG2 GLU B 155 17.311 14.456 -0.518 1.00 4.41 H new ATOM 0 HG3 GLU B 155 18.074 15.925 -1.094 1.00 4.41 H new ATOM 1875 N GLU B 156 20.772 12.083 -2.800 1.00 3.81 N ATOM 1876 CA GLU B 156 21.871 11.617 -3.648 1.00 4.72 C ATOM 1877 C GLU B 156 21.867 12.334 -4.992 1.00 5.16 C ATOM 1878 O GLU B 156 22.102 11.735 -6.044 1.00 5.72 O ATOM 1879 CB GLU B 156 21.821 10.098 -3.827 1.00 5.40 C ATOM 1880 CG GLU B 156 22.354 9.346 -2.619 1.00 5.97 C ATOM 1881 CD GLU B 156 23.786 9.728 -2.289 1.00 6.72 C ATOM 1882 OE1 GLU B 156 23.988 10.697 -1.527 1.00 7.06 O ATOM 1883 OE2 GLU B 156 24.719 9.057 -2.781 1.00 7.19 O ATOM 0 H GLU B 156 21.071 12.432 -1.889 1.00 3.81 H new ATOM 0 HA GLU B 156 22.808 11.860 -3.147 1.00 4.72 H new ATOM 0 HB2 GLU B 156 20.792 9.792 -4.015 1.00 5.40 H new ATOM 0 HB3 GLU B 156 22.401 9.821 -4.707 1.00 5.40 H new ATOM 0 HG2 GLU B 156 21.718 9.550 -1.757 1.00 5.97 H new ATOM 0 HG3 GLU B 156 22.301 8.274 -2.808 1.00 5.97 H new ATOM 1890 N ASP B 157 21.613 13.632 -4.933 1.00 5.28 N ATOM 1891 CA ASP B 157 21.594 14.476 -6.112 1.00 5.99 C ATOM 1892 C ASP B 157 23.007 14.919 -6.463 1.00 6.62 C ATOM 1893 O ASP B 157 23.187 15.568 -7.516 1.00 7.00 O ATOM 1894 CB ASP B 157 20.709 15.701 -5.871 1.00 6.41 C ATOM 1895 CG ASP B 157 21.177 16.538 -4.695 1.00 6.94 C ATOM 1896 OD1 ASP B 157 21.073 16.069 -3.544 1.00 7.22 O ATOM 1897 OD2 ASP B 157 21.661 17.667 -4.919 1.00 7.32 O ATOM 1898 OXT ASP B 157 23.940 14.588 -5.701 1.00 7.00 O ATOM 0 H ASP B 157 21.414 14.128 -4.064 1.00 5.28 H new ATOM 0 HA ASP B 157 21.185 13.903 -6.944 1.00 5.99 H new ATOM 0 HB2 ASP B 157 20.697 16.318 -6.769 1.00 6.41 H new ATOM 0 HB3 ASP B 157 19.684 15.375 -5.695 1.00 6.41 H new TER 1903 ASP B 157 HETATM 1904 CA CA A 141 -0.199 3.052 7.177 1.00 0.67 CA