USER MOD reduce.3.24.130724 H: found=0, std=0, add=1047, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1047 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 MET CE :methyl -114:sc= -2.19 (180deg=-4.59!) USER MOD Set 1.2: A 139 CYS SG : rot -92:sc= -0.464 USER MOD Set 2.1: A 100 TYR OH : rot -128:sc= 2.1 USER MOD Set 2.2: A 135 LYS NZ :NH3+ -127:sc= 1.25 (180deg=-0.0137) USER MOD Set 3.1: A 95 TYR OH : rot 180:sc= 0.924 USER MOD Set 3.2: A 97 LYS NZ :NH3+ 141:sc= 1.08 (180deg=-0.18) USER MOD Set 4.1: A 93 LYS NZ :NH3+ 178:sc= 1.24 (180deg=0) USER MOD Set 4.2: A 99 TYR OH : rot -18:sc= 1.98 USER MOD Set 5.1: A 75 THR OG1 : rot 124:sc= 1.74 USER MOD Set 5.2: A 77 CYS SG : rot 180:sc= 1.08 USER MOD Set 6.1: A 58 ASN : amide:sc= -4.83! C(o=-5.7!,f=-11!) USER MOD Set 6.2: A 61 ASN : amide:sc= -0.836! C(o=-5.7!,f=-12!) USER MOD Set 7.1: A 51 TYR OH : rot -57:sc= 0.904 USER MOD Set 7.2: A 67 ASN : amide:sc= 0.29 K(o=1.2,f=-2.5!) USER MOD Set 8.1: A 46 ASN : amide:sc= 0.122! C(o=0.85!,f=-4.9!) USER MOD Set 8.2: A 49 LYS NZ :NH3+ -134:sc= 0.727 (180deg=0) USER MOD Set 9.1: A 42 LYS NZ :NH3+ -111:sc= 0.964 (180deg=0) USER MOD Set 9.2: A 44 TYR OH : rot 180:sc= 0.838 USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0328 (180deg=-0.331) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 74:sc= 1.18 USER MOD Single : A 34 GLN : amide:sc= -0.25 K(o=-0.25,f=-0.9) USER MOD Single : A 36 ASN : amide:sc=-0.00514 X(o=-0.0051,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= 1.12 (180deg=0.455) USER MOD Single : A 52 SER OG : rot 74:sc= 0.205 USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 69:sc= 0.352 USER MOD Single : A 72 TYR OH : rot 180:sc=-0.00595 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= 0.949 K(o=0.95,f=0) USER MOD Single : A 86 THR OG1 : rot 86:sc= 1.88 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 69:sc= 1.13 USER MOD Single : A 106 ASN :FLIP amide:sc= -0.179 F(o=-2.5!,f=-0.18) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 15:sc= 0 USER MOD Single : A 121 THR OG1 : rot 75:sc= 1.17 USER MOD Single : A 124 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.19) USER MOD Single : A 126 LYS NZ :NH3+ -175:sc= -0.384 (180deg=-0.537) USER MOD Single : A 128 HIS : no HD1:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 130 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.11) USER MOD Single : A 133 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0944) USER MOD Single : A 134 MET CE :methyl -158:sc= -0.161 (180deg=-0.708) USER MOD Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 137 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 140 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 LYS NZ :NH3+ -168:sc= -0.625 (180deg=-0.966) USER MOD Single : A 145 GLN : amide:sc=-0.00259 K(o=-0.0026,f=-0.95) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 19 -17.446 -14.504 5.886 1.00 0.78 N ATOM 28 CA PRO A 19 -17.225 -13.292 5.114 1.00 0.70 C ATOM 29 C PRO A 19 -18.552 -12.672 4.728 1.00 0.65 C ATOM 30 O PRO A 19 -19.497 -13.396 4.401 1.00 0.70 O ATOM 31 CB PRO A 19 -16.498 -13.763 3.848 1.00 0.71 C ATOM 32 CG PRO A 19 -16.463 -15.257 3.921 1.00 0.75 C ATOM 33 CD PRO A 19 -16.654 -15.626 5.365 1.00 0.84 C ATOM 0 HA PRO A 19 -16.660 -12.547 5.674 1.00 0.70 H new ATOM 0 HB2 PRO A 19 -17.020 -13.429 2.952 1.00 0.71 H new ATOM 0 HB3 PRO A 19 -15.490 -13.351 3.802 1.00 0.71 H new ATOM 0 HG2 PRO A 19 -17.249 -15.693 3.304 1.00 0.75 H new ATOM 0 HG3 PRO A 19 -15.514 -15.640 3.546 1.00 0.75 H new ATOM 0 HD2 PRO A 19 -17.178 -16.576 5.474 1.00 0.84 H new ATOM 0 HD3 PRO A 19 -15.702 -15.725 5.886 1.00 0.84 H new ATOM 41 N PRO A 20 -18.673 -11.344 4.802 1.00 0.58 N ATOM 42 CA PRO A 20 -19.855 -10.664 4.312 1.00 0.54 C ATOM 43 C PRO A 20 -20.150 -11.109 2.893 1.00 0.55 C ATOM 44 O PRO A 20 -19.252 -11.539 2.168 1.00 0.58 O ATOM 45 CB PRO A 20 -19.482 -9.189 4.363 1.00 0.49 C ATOM 46 CG PRO A 20 -18.427 -9.109 5.416 1.00 0.50 C ATOM 47 CD PRO A 20 -17.684 -10.416 5.364 1.00 0.56 C ATOM 0 HA PRO A 20 -20.751 -10.877 4.895 1.00 0.54 H new ATOM 0 HB2 PRO A 20 -19.109 -8.840 3.400 1.00 0.49 H new ATOM 0 HB3 PRO A 20 -20.343 -8.570 4.615 1.00 0.49 H new ATOM 0 HG2 PRO A 20 -17.755 -8.271 5.231 1.00 0.50 H new ATOM 0 HG3 PRO A 20 -18.870 -8.951 6.400 1.00 0.50 H new ATOM 0 HD2 PRO A 20 -16.794 -10.348 4.738 1.00 0.56 H new ATOM 0 HD3 PRO A 20 -17.354 -10.731 6.354 1.00 0.56 H new ATOM 55 N ALA A 21 -21.394 -11.029 2.505 1.00 0.56 N ATOM 56 CA ALA A 21 -21.818 -11.608 1.256 1.00 0.63 C ATOM 57 C ALA A 21 -21.272 -10.835 0.058 1.00 0.60 C ATOM 58 O ALA A 21 -20.600 -9.820 0.213 1.00 0.60 O ATOM 59 CB ALA A 21 -23.336 -11.679 1.232 1.00 0.72 C ATOM 0 H ALA A 21 -22.134 -10.568 3.035 1.00 0.56 H new ATOM 0 HA ALA A 21 -21.412 -12.617 1.178 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -23.665 -12.116 0.289 1.00 0.72 H new ATOM 0 HB2 ALA A 21 -23.684 -12.297 2.060 1.00 0.72 H new ATOM 0 HB3 ALA A 21 -23.749 -10.675 1.330 1.00 0.72 H new ATOM 65 N ASP A 22 -21.603 -11.347 -1.117 1.00 0.64 N ATOM 66 CA ASP A 22 -21.285 -10.762 -2.419 1.00 0.70 C ATOM 67 C ASP A 22 -21.455 -9.257 -2.412 1.00 0.67 C ATOM 68 O ASP A 22 -20.513 -8.567 -2.078 1.00 1.01 O ATOM 69 CB ASP A 22 -22.116 -11.395 -3.536 1.00 1.01 C ATOM 70 CG ASP A 22 -21.582 -12.746 -3.977 1.00 1.54 C ATOM 71 OD1 ASP A 22 -20.719 -12.786 -4.877 1.00 1.66 O ATOM 72 OD2 ASP A 22 -22.019 -13.775 -3.422 1.00 2.34 O ATOM 0 H ASP A 22 -22.124 -12.220 -1.197 1.00 0.64 H new ATOM 0 HA ASP A 22 -20.235 -10.978 -2.617 1.00 0.70 H new ATOM 0 HB2 ASP A 22 -23.145 -11.510 -3.196 1.00 1.01 H new ATOM 0 HB3 ASP A 22 -22.137 -10.721 -4.393 1.00 1.01 H new ATOM 77 N GLY A 23 -22.571 -8.765 -2.952 1.00 0.72 N ATOM 78 CA GLY A 23 -22.871 -7.327 -2.965 1.00 0.69 C ATOM 79 C GLY A 23 -22.139 -6.491 -1.907 1.00 0.61 C ATOM 80 O GLY A 23 -21.614 -5.433 -2.233 1.00 0.60 O ATOM 0 H GLY A 23 -23.288 -9.343 -3.390 1.00 0.72 H new ATOM 0 HA2 GLY A 23 -22.625 -6.931 -3.950 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -23.944 -7.196 -2.828 1.00 0.69 H new ATOM 84 N ALA A 24 -22.091 -6.958 -0.656 1.00 0.59 N ATOM 85 CA ALA A 24 -21.329 -6.277 0.398 1.00 0.55 C ATOM 86 C ALA A 24 -19.820 -6.290 0.105 1.00 0.48 C ATOM 87 O ALA A 24 -19.181 -5.239 0.034 1.00 0.44 O ATOM 88 CB ALA A 24 -21.603 -6.925 1.750 1.00 0.56 C ATOM 0 H ALA A 24 -22.570 -7.804 -0.347 1.00 0.59 H new ATOM 0 HA ALA A 24 -21.657 -5.238 0.423 1.00 0.55 H new ATOM 0 HB1 ALA A 24 -21.032 -6.410 2.523 1.00 0.56 H new ATOM 0 HB2 ALA A 24 -22.667 -6.855 1.978 1.00 0.56 H new ATOM 0 HB3 ALA A 24 -21.307 -7.974 1.718 1.00 0.56 H new ATOM 94 N LEU A 25 -19.266 -7.490 -0.056 1.00 0.49 N ATOM 95 CA LEU A 25 -17.851 -7.674 -0.394 1.00 0.48 C ATOM 96 C LEU A 25 -17.496 -6.962 -1.683 1.00 0.51 C ATOM 97 O LEU A 25 -16.475 -6.279 -1.778 1.00 0.53 O ATOM 98 CB LEU A 25 -17.528 -9.166 -0.550 1.00 0.47 C ATOM 99 CG LEU A 25 -17.274 -9.925 0.748 1.00 0.48 C ATOM 100 CD1 LEU A 25 -16.008 -10.755 0.637 1.00 0.53 C ATOM 101 CD2 LEU A 25 -17.180 -8.966 1.914 1.00 0.49 C ATOM 0 H LEU A 25 -19.783 -8.364 0.044 1.00 0.49 H new ATOM 0 HA LEU A 25 -17.264 -7.249 0.420 1.00 0.48 H new ATOM 0 HB2 LEU A 25 -18.355 -9.645 -1.074 1.00 0.47 H new ATOM 0 HB3 LEU A 25 -16.648 -9.264 -1.185 1.00 0.47 H new ATOM 0 HG LEU A 25 -18.113 -10.598 0.925 1.00 0.48 H new ATOM 0 HD11 LEU A 25 -15.841 -11.290 1.572 1.00 0.53 H new ATOM 0 HD12 LEU A 25 -16.113 -11.471 -0.178 1.00 0.53 H new ATOM 0 HD13 LEU A 25 -15.160 -10.100 0.437 1.00 0.53 H new ATOM 0 HD21 LEU A 25 -16.999 -9.526 2.832 1.00 0.49 H new ATOM 0 HD22 LEU A 25 -16.359 -8.268 1.746 1.00 0.49 H new ATOM 0 HD23 LEU A 25 -18.114 -8.412 2.006 1.00 0.49 H new ATOM 113 N LYS A 26 -18.348 -7.131 -2.673 1.00 0.55 N ATOM 114 CA LYS A 26 -18.141 -6.520 -3.966 1.00 0.59 C ATOM 115 C LYS A 26 -18.216 -5.006 -3.834 1.00 0.52 C ATOM 116 O LYS A 26 -17.561 -4.289 -4.572 1.00 0.53 O ATOM 117 CB LYS A 26 -19.187 -7.021 -4.965 1.00 0.68 C ATOM 118 CG LYS A 26 -20.217 -5.970 -5.338 1.00 0.73 C ATOM 119 CD LYS A 26 -21.374 -6.563 -6.107 1.00 0.82 C ATOM 120 CE LYS A 26 -22.331 -5.472 -6.565 1.00 0.93 C ATOM 121 NZ LYS A 26 -21.692 -4.554 -7.547 1.00 1.53 N ATOM 0 H LYS A 26 -19.197 -7.692 -2.604 1.00 0.55 H new ATOM 0 HA LYS A 26 -17.154 -6.796 -4.337 1.00 0.59 H new ATOM 0 HB2 LYS A 26 -18.682 -7.361 -5.869 1.00 0.68 H new ATOM 0 HB3 LYS A 26 -19.698 -7.886 -4.542 1.00 0.68 H new ATOM 0 HG2 LYS A 26 -20.590 -5.490 -4.433 1.00 0.73 H new ATOM 0 HG3 LYS A 26 -19.742 -5.193 -5.938 1.00 0.73 H new ATOM 0 HD2 LYS A 26 -21.000 -7.112 -6.971 1.00 0.82 H new ATOM 0 HD3 LYS A 26 -21.905 -7.280 -5.480 1.00 0.82 H new ATOM 0 HE2 LYS A 26 -23.214 -5.927 -7.014 1.00 0.93 H new ATOM 0 HE3 LYS A 26 -22.671 -4.901 -5.701 1.00 0.93 H new ATOM 0 HZ1 LYS A 26 -22.427 -4.015 -8.048 1.00 1.53 H new ATOM 0 HZ2 LYS A 26 -21.060 -3.896 -7.047 1.00 1.53 H new ATOM 0 HZ3 LYS A 26 -21.142 -5.109 -8.233 1.00 1.53 H new ATOM 135 N ARG A 27 -19.013 -4.527 -2.879 1.00 0.49 N ATOM 136 CA ARG A 27 -19.161 -3.102 -2.662 1.00 0.45 C ATOM 137 C ARG A 27 -17.919 -2.547 -1.993 1.00 0.39 C ATOM 138 O ARG A 27 -17.510 -1.422 -2.267 1.00 0.37 O ATOM 139 CB ARG A 27 -20.395 -2.798 -1.819 1.00 0.49 C ATOM 140 CG ARG A 27 -20.685 -1.314 -1.711 1.00 0.45 C ATOM 141 CD ARG A 27 -20.865 -0.702 -3.087 1.00 0.51 C ATOM 142 NE ARG A 27 -22.179 -0.989 -3.658 1.00 1.11 N ATOM 143 CZ ARG A 27 -22.544 -0.636 -4.892 1.00 1.29 C ATOM 144 NH1 ARG A 27 -21.689 0.001 -5.683 1.00 1.01 N ATOM 145 NH2 ARG A 27 -23.760 -0.927 -5.337 1.00 2.11 N ATOM 0 H ARG A 27 -19.562 -5.110 -2.248 1.00 0.49 H new ATOM 0 HA ARG A 27 -19.290 -2.622 -3.632 1.00 0.45 H new ATOM 0 HB2 ARG A 27 -21.259 -3.301 -2.254 1.00 0.49 H new ATOM 0 HB3 ARG A 27 -20.256 -3.210 -0.819 1.00 0.49 H new ATOM 0 HG2 ARG A 27 -21.585 -1.157 -1.117 1.00 0.45 H new ATOM 0 HG3 ARG A 27 -19.868 -0.816 -1.190 1.00 0.45 H new ATOM 0 HD2 ARG A 27 -20.728 0.377 -3.022 1.00 0.51 H new ATOM 0 HD3 ARG A 27 -20.091 -1.082 -3.754 1.00 0.51 H new ATOM 0 HE ARG A 27 -22.856 -1.488 -3.080 1.00 1.11 H new ATOM 0 HH11 ARG A 27 -20.751 0.221 -5.348 1.00 1.01 H new ATOM 0 HH12 ARG A 27 -21.970 0.270 -6.626 1.00 1.01 H new ATOM 0 HH21 ARG A 27 -24.418 -1.422 -4.735 1.00 2.11 H new ATOM 0 HH22 ARG A 27 -24.036 -0.656 -6.281 1.00 2.11 H new ATOM 159 N ALA A 28 -17.320 -3.344 -1.116 1.00 0.39 N ATOM 160 CA ALA A 28 -16.032 -2.997 -0.538 1.00 0.37 C ATOM 161 C ALA A 28 -15.023 -2.818 -1.667 1.00 0.37 C ATOM 162 O ALA A 28 -14.211 -1.892 -1.664 1.00 0.36 O ATOM 163 CB ALA A 28 -15.579 -4.075 0.444 1.00 0.42 C ATOM 0 H ALA A 28 -17.706 -4.231 -0.792 1.00 0.39 H new ATOM 0 HA ALA A 28 -16.114 -2.064 0.020 1.00 0.37 H new ATOM 0 HB1 ALA A 28 -14.613 -3.799 0.867 1.00 0.42 H new ATOM 0 HB2 ALA A 28 -16.312 -4.169 1.245 1.00 0.42 H new ATOM 0 HB3 ALA A 28 -15.488 -5.027 -0.078 1.00 0.42 H new ATOM 169 N GLU A 29 -15.129 -3.691 -2.658 1.00 0.43 N ATOM 170 CA GLU A 29 -14.289 -3.629 -3.839 1.00 0.47 C ATOM 171 C GLU A 29 -14.712 -2.453 -4.729 1.00 0.45 C ATOM 172 O GLU A 29 -13.880 -1.832 -5.389 1.00 0.48 O ATOM 173 CB GLU A 29 -14.392 -4.948 -4.606 1.00 0.55 C ATOM 174 CG GLU A 29 -13.157 -5.277 -5.424 1.00 0.84 C ATOM 175 CD GLU A 29 -13.324 -6.539 -6.241 1.00 1.52 C ATOM 176 OE1 GLU A 29 -13.844 -6.454 -7.372 1.00 1.83 O ATOM 177 OE2 GLU A 29 -12.947 -7.626 -5.753 1.00 2.41 O ATOM 0 H GLU A 29 -15.799 -4.460 -2.664 1.00 0.43 H new ATOM 0 HA GLU A 29 -13.253 -3.473 -3.538 1.00 0.47 H new ATOM 0 HB2 GLU A 29 -14.574 -5.756 -3.898 1.00 0.55 H new ATOM 0 HB3 GLU A 29 -15.256 -4.905 -5.270 1.00 0.55 H new ATOM 0 HG2 GLU A 29 -12.933 -4.444 -6.090 1.00 0.84 H new ATOM 0 HG3 GLU A 29 -12.302 -5.390 -4.757 1.00 0.84 H new ATOM 184 N GLU A 30 -16.010 -2.141 -4.720 1.00 0.43 N ATOM 185 CA GLU A 30 -16.554 -1.021 -5.489 1.00 0.44 C ATOM 186 C GLU A 30 -16.031 0.280 -4.954 1.00 0.41 C ATOM 187 O GLU A 30 -15.822 1.217 -5.696 1.00 0.48 O ATOM 188 CB GLU A 30 -18.080 -0.982 -5.417 1.00 0.47 C ATOM 189 CG GLU A 30 -18.756 -2.074 -6.200 1.00 0.64 C ATOM 190 CD GLU A 30 -18.701 -1.867 -7.699 1.00 1.23 C ATOM 191 OE1 GLU A 30 -18.553 -0.710 -8.138 1.00 1.52 O ATOM 192 OE2 GLU A 30 -18.845 -2.861 -8.441 1.00 1.72 O ATOM 0 H GLU A 30 -16.709 -2.654 -4.183 1.00 0.43 H new ATOM 0 HA GLU A 30 -16.244 -1.163 -6.524 1.00 0.44 H new ATOM 0 HB2 GLU A 30 -18.386 -1.054 -4.373 1.00 0.47 H new ATOM 0 HB3 GLU A 30 -18.427 -0.016 -5.785 1.00 0.47 H new ATOM 0 HG2 GLU A 30 -18.288 -3.028 -5.956 1.00 0.64 H new ATOM 0 HG3 GLU A 30 -19.798 -2.141 -5.889 1.00 0.64 H new ATOM 199 N LEU A 31 -15.844 0.334 -3.654 1.00 0.36 N ATOM 200 CA LEU A 31 -15.339 1.526 -3.013 1.00 0.36 C ATOM 201 C LEU A 31 -13.850 1.677 -3.273 1.00 0.37 C ATOM 202 O LEU A 31 -13.344 2.789 -3.368 1.00 0.41 O ATOM 203 CB LEU A 31 -15.644 1.477 -1.527 1.00 0.35 C ATOM 204 CG LEU A 31 -17.137 1.473 -1.198 1.00 0.37 C ATOM 205 CD1 LEU A 31 -17.354 1.130 0.260 1.00 0.37 C ATOM 206 CD2 LEU A 31 -17.768 2.817 -1.512 1.00 0.42 C ATOM 0 H LEU A 31 -16.036 -0.439 -3.017 1.00 0.36 H new ATOM 0 HA LEU A 31 -15.835 2.401 -3.433 1.00 0.36 H new ATOM 0 HB2 LEU A 31 -15.186 0.584 -1.102 1.00 0.35 H new ATOM 0 HB3 LEU A 31 -15.178 2.335 -1.042 1.00 0.35 H new ATOM 0 HG LEU A 31 -17.615 0.715 -1.818 1.00 0.37 H new ATOM 0 HD11 LEU A 31 -18.422 1.131 0.479 1.00 0.37 H new ATOM 0 HD12 LEU A 31 -16.942 0.142 0.467 1.00 0.37 H new ATOM 0 HD13 LEU A 31 -16.854 1.869 0.886 1.00 0.37 H new ATOM 0 HD21 LEU A 31 -18.830 2.786 -1.269 1.00 0.42 H new ATOM 0 HD22 LEU A 31 -17.283 3.594 -0.921 1.00 0.42 H new ATOM 0 HD23 LEU A 31 -17.645 3.038 -2.572 1.00 0.42 H new ATOM 218 N LYS A 32 -13.150 0.555 -3.412 1.00 0.37 N ATOM 219 CA LYS A 32 -11.761 0.592 -3.854 1.00 0.41 C ATOM 220 C LYS A 32 -11.718 1.070 -5.301 1.00 0.43 C ATOM 221 O LYS A 32 -10.804 1.777 -5.712 1.00 0.47 O ATOM 222 CB LYS A 32 -11.101 -0.786 -3.754 1.00 0.44 C ATOM 223 CG LYS A 32 -9.586 -0.735 -3.908 1.00 0.76 C ATOM 224 CD LYS A 32 -9.017 -2.038 -4.452 1.00 0.70 C ATOM 225 CE LYS A 32 -9.372 -2.230 -5.918 1.00 0.67 C ATOM 226 NZ LYS A 32 -8.631 -3.363 -6.536 1.00 1.15 N ATOM 0 H LYS A 32 -13.516 -0.379 -3.228 1.00 0.37 H new ATOM 0 HA LYS A 32 -11.211 1.274 -3.206 1.00 0.41 H new ATOM 0 HB2 LYS A 32 -11.348 -1.231 -2.790 1.00 0.44 H new ATOM 0 HB3 LYS A 32 -11.517 -1.438 -4.522 1.00 0.44 H new ATOM 0 HG2 LYS A 32 -9.318 0.083 -4.577 1.00 0.76 H new ATOM 0 HG3 LYS A 32 -9.132 -0.518 -2.941 1.00 0.76 H new ATOM 0 HD2 LYS A 32 -7.933 -2.040 -4.335 1.00 0.70 H new ATOM 0 HD3 LYS A 32 -9.402 -2.876 -3.870 1.00 0.70 H new ATOM 0 HE2 LYS A 32 -10.444 -2.407 -6.010 1.00 0.67 H new ATOM 0 HE3 LYS A 32 -9.152 -1.314 -6.466 1.00 0.67 H new ATOM 0 HZ1 LYS A 32 -8.906 -3.454 -7.535 1.00 1.15 H new ATOM 0 HZ2 LYS A 32 -7.608 -3.184 -6.474 1.00 1.15 H new ATOM 0 HZ3 LYS A 32 -8.860 -4.243 -6.032 1.00 1.15 H new ATOM 240 N THR A 33 -12.735 0.672 -6.057 1.00 0.43 N ATOM 241 CA THR A 33 -12.879 1.065 -7.449 1.00 0.47 C ATOM 242 C THR A 33 -13.215 2.555 -7.547 1.00 0.47 C ATOM 243 O THR A 33 -12.573 3.301 -8.285 1.00 0.52 O ATOM 244 CB THR A 33 -13.982 0.225 -8.123 1.00 0.49 C ATOM 245 OG1 THR A 33 -13.672 -1.169 -7.990 1.00 0.50 O ATOM 246 CG2 THR A 33 -14.130 0.571 -9.594 1.00 0.57 C ATOM 0 H THR A 33 -13.483 0.067 -5.719 1.00 0.43 H new ATOM 0 HA THR A 33 -11.935 0.886 -7.964 1.00 0.47 H new ATOM 0 HB THR A 33 -14.926 0.450 -7.626 1.00 0.49 H new ATOM 0 HG1 THR A 33 -13.833 -1.453 -7.066 1.00 0.50 H new ATOM 0 HG21 THR A 33 -14.917 -0.042 -10.034 1.00 0.57 H new ATOM 0 HG22 THR A 33 -14.391 1.625 -9.696 1.00 0.57 H new ATOM 0 HG23 THR A 33 -13.189 0.379 -10.109 1.00 0.57 H new ATOM 254 N GLN A 34 -14.224 2.974 -6.791 1.00 0.44 N ATOM 255 CA GLN A 34 -14.561 4.393 -6.651 1.00 0.46 C ATOM 256 C GLN A 34 -13.347 5.206 -6.230 1.00 0.46 C ATOM 257 O GLN A 34 -13.052 6.250 -6.800 1.00 0.51 O ATOM 258 CB GLN A 34 -15.660 4.584 -5.610 1.00 0.48 C ATOM 259 CG GLN A 34 -16.986 3.993 -6.024 1.00 0.50 C ATOM 260 CD GLN A 34 -18.068 4.197 -4.987 1.00 0.75 C ATOM 261 OE1 GLN A 34 -18.049 5.166 -4.229 1.00 1.50 O ATOM 262 NE2 GLN A 34 -19.032 3.291 -4.954 1.00 1.31 N ATOM 0 H GLN A 34 -14.830 2.348 -6.260 1.00 0.44 H new ATOM 0 HA GLN A 34 -14.908 4.741 -7.624 1.00 0.46 H new ATOM 0 HB2 GLN A 34 -15.345 4.128 -4.671 1.00 0.48 H new ATOM 0 HB3 GLN A 34 -15.789 5.649 -5.420 1.00 0.48 H new ATOM 0 HG2 GLN A 34 -17.301 4.444 -6.965 1.00 0.50 H new ATOM 0 HG3 GLN A 34 -16.862 2.926 -6.207 1.00 0.50 H new ATOM 0 HE21 GLN A 34 -19.012 2.501 -5.599 1.00 1.31 H new ATOM 0 HE22 GLN A 34 -19.795 3.382 -4.283 1.00 1.31 H new ATOM 271 N ALA A 35 -12.645 4.713 -5.227 1.00 0.43 N ATOM 272 CA ALA A 35 -11.484 5.405 -4.701 1.00 0.44 C ATOM 273 C ALA A 35 -10.321 5.363 -5.686 1.00 0.48 C ATOM 274 O ALA A 35 -9.425 6.198 -5.627 1.00 0.50 O ATOM 275 CB ALA A 35 -11.088 4.806 -3.373 1.00 0.42 C ATOM 0 H ALA A 35 -12.860 3.833 -4.759 1.00 0.43 H new ATOM 0 HA ALA A 35 -11.745 6.453 -4.551 1.00 0.44 H new ATOM 0 HB1 ALA A 35 -10.215 5.330 -2.983 1.00 0.42 H new ATOM 0 HB2 ALA A 35 -11.914 4.904 -2.669 1.00 0.42 H new ATOM 0 HB3 ALA A 35 -10.848 3.751 -3.507 1.00 0.42 H new ATOM 281 N ASN A 36 -10.336 4.380 -6.578 1.00 0.53 N ATOM 282 CA ASN A 36 -9.380 4.321 -7.679 1.00 0.61 C ATOM 283 C ASN A 36 -9.653 5.481 -8.629 1.00 0.63 C ATOM 284 O ASN A 36 -8.737 6.117 -9.149 1.00 0.67 O ATOM 285 CB ASN A 36 -9.509 2.981 -8.419 1.00 0.69 C ATOM 286 CG ASN A 36 -8.510 2.808 -9.552 1.00 1.28 C ATOM 287 OD1 ASN A 36 -7.403 2.309 -9.347 1.00 1.88 O ATOM 288 ND2 ASN A 36 -8.900 3.193 -10.759 1.00 2.01 N ATOM 0 H ASN A 36 -11.003 3.609 -6.561 1.00 0.53 H new ATOM 0 HA ASN A 36 -8.364 4.399 -7.291 1.00 0.61 H new ATOM 0 HB2 ASN A 36 -9.379 2.168 -7.705 1.00 0.69 H new ATOM 0 HB3 ASN A 36 -10.519 2.894 -8.821 1.00 0.69 H new ATOM 0 HD21 ASN A 36 -8.275 3.080 -11.557 1.00 2.01 H new ATOM 0 HD22 ASN A 36 -9.825 3.602 -10.890 1.00 2.01 H new ATOM 295 N ASP A 37 -10.935 5.762 -8.813 1.00 0.63 N ATOM 296 CA ASP A 37 -11.381 6.869 -9.645 1.00 0.68 C ATOM 297 C ASP A 37 -11.081 8.190 -8.954 1.00 0.65 C ATOM 298 O ASP A 37 -10.648 9.145 -9.589 1.00 0.68 O ATOM 299 CB ASP A 37 -12.885 6.740 -9.918 1.00 0.73 C ATOM 300 CG ASP A 37 -13.333 7.547 -11.119 1.00 0.90 C ATOM 301 OD1 ASP A 37 -13.166 8.781 -11.115 1.00 1.04 O ATOM 302 OD2 ASP A 37 -13.846 6.943 -12.087 1.00 1.05 O ATOM 0 H ASP A 37 -11.695 5.229 -8.390 1.00 0.63 H new ATOM 0 HA ASP A 37 -10.847 6.842 -10.595 1.00 0.68 H new ATOM 0 HB2 ASP A 37 -13.132 5.691 -10.078 1.00 0.73 H new ATOM 0 HB3 ASP A 37 -13.439 7.067 -9.038 1.00 0.73 H new ATOM 307 N TYR A 38 -11.288 8.233 -7.644 1.00 0.60 N ATOM 308 CA TYR A 38 -11.014 9.435 -6.866 1.00 0.58 C ATOM 309 C TYR A 38 -9.514 9.656 -6.705 1.00 0.57 C ATOM 310 O TYR A 38 -9.068 10.782 -6.505 1.00 0.57 O ATOM 311 CB TYR A 38 -11.721 9.378 -5.509 1.00 0.54 C ATOM 312 CG TYR A 38 -13.173 9.806 -5.586 1.00 0.56 C ATOM 313 CD1 TYR A 38 -14.110 9.056 -6.289 1.00 0.63 C ATOM 314 CD2 TYR A 38 -13.603 10.972 -4.966 1.00 0.59 C ATOM 315 CE1 TYR A 38 -15.429 9.459 -6.373 1.00 0.67 C ATOM 316 CE2 TYR A 38 -14.920 11.378 -5.043 1.00 0.63 C ATOM 317 CZ TYR A 38 -15.829 10.620 -5.748 1.00 0.65 C ATOM 318 OH TYR A 38 -17.143 11.028 -5.833 1.00 0.71 O ATOM 0 H TYR A 38 -11.645 7.449 -7.098 1.00 0.60 H new ATOM 0 HA TYR A 38 -11.412 10.290 -7.412 1.00 0.58 H new ATOM 0 HB2 TYR A 38 -11.666 8.362 -5.118 1.00 0.54 H new ATOM 0 HB3 TYR A 38 -11.195 10.020 -4.803 1.00 0.54 H new ATOM 0 HD1 TYR A 38 -13.801 8.143 -6.777 1.00 0.63 H new ATOM 0 HD2 TYR A 38 -12.894 11.572 -4.414 1.00 0.59 H new ATOM 0 HE1 TYR A 38 -16.143 8.867 -6.926 1.00 0.67 H new ATOM 0 HE2 TYR A 38 -15.237 12.287 -4.552 1.00 0.63 H new ATOM 0 HH TYR A 38 -17.258 11.865 -5.336 1.00 0.71 H new ATOM 328 N PHE A 39 -8.736 8.588 -6.812 1.00 0.57 N ATOM 329 CA PHE A 39 -7.294 8.702 -6.856 1.00 0.57 C ATOM 330 C PHE A 39 -6.891 9.449 -8.120 1.00 0.63 C ATOM 331 O PHE A 39 -6.100 10.392 -8.076 1.00 0.67 O ATOM 332 CB PHE A 39 -6.659 7.312 -6.834 1.00 0.58 C ATOM 333 CG PHE A 39 -5.162 7.319 -6.909 1.00 0.58 C ATOM 334 CD1 PHE A 39 -4.515 7.417 -8.131 1.00 0.70 C ATOM 335 CD2 PHE A 39 -4.402 7.217 -5.760 1.00 0.55 C ATOM 336 CE1 PHE A 39 -3.139 7.417 -8.203 1.00 0.73 C ATOM 337 CE2 PHE A 39 -3.026 7.214 -5.824 1.00 0.59 C ATOM 338 CZ PHE A 39 -2.390 7.316 -7.045 1.00 0.65 C ATOM 0 H PHE A 39 -9.086 7.632 -6.870 1.00 0.57 H new ATOM 0 HA PHE A 39 -6.943 9.254 -5.984 1.00 0.57 H new ATOM 0 HB2 PHE A 39 -6.963 6.800 -5.921 1.00 0.58 H new ATOM 0 HB3 PHE A 39 -7.051 6.733 -7.670 1.00 0.58 H new ATOM 0 HD1 PHE A 39 -5.097 7.494 -9.038 1.00 0.70 H new ATOM 0 HD2 PHE A 39 -4.892 7.139 -4.801 1.00 0.55 H new ATOM 0 HE1 PHE A 39 -2.647 7.496 -9.161 1.00 0.73 H new ATOM 0 HE2 PHE A 39 -2.444 7.132 -4.918 1.00 0.59 H new ATOM 0 HZ PHE A 39 -1.311 7.317 -7.096 1.00 0.65 H new ATOM 348 N LYS A 40 -7.463 9.024 -9.244 1.00 0.66 N ATOM 349 CA LYS A 40 -7.210 9.665 -10.525 1.00 0.74 C ATOM 350 C LYS A 40 -7.840 11.057 -10.536 1.00 0.73 C ATOM 351 O LYS A 40 -7.360 11.964 -11.214 1.00 0.79 O ATOM 352 CB LYS A 40 -7.763 8.799 -11.672 1.00 0.82 C ATOM 353 CG LYS A 40 -9.081 9.286 -12.260 1.00 1.18 C ATOM 354 CD LYS A 40 -9.772 8.198 -13.060 1.00 1.09 C ATOM 355 CE LYS A 40 -10.872 8.762 -13.951 1.00 1.56 C ATOM 356 NZ LYS A 40 -11.815 9.649 -13.212 1.00 2.26 N ATOM 0 H LYS A 40 -8.107 8.235 -9.290 1.00 0.66 H new ATOM 0 HA LYS A 40 -6.135 9.770 -10.671 1.00 0.74 H new ATOM 0 HB2 LYS A 40 -7.019 8.757 -12.468 1.00 0.82 H new ATOM 0 HB3 LYS A 40 -7.898 7.781 -11.307 1.00 0.82 H new ATOM 0 HG2 LYS A 40 -9.737 9.620 -11.456 1.00 1.18 H new ATOM 0 HG3 LYS A 40 -8.898 10.149 -12.901 1.00 1.18 H new ATOM 0 HD2 LYS A 40 -9.038 7.677 -13.675 1.00 1.09 H new ATOM 0 HD3 LYS A 40 -10.198 7.461 -12.379 1.00 1.09 H new ATOM 0 HE2 LYS A 40 -10.419 9.322 -14.769 1.00 1.56 H new ATOM 0 HE3 LYS A 40 -11.429 7.939 -14.398 1.00 1.56 H new ATOM 0 HZ1 LYS A 40 -12.704 9.731 -13.745 1.00 2.26 H new ATOM 0 HZ2 LYS A 40 -12.009 9.244 -12.274 1.00 2.26 H new ATOM 0 HZ3 LYS A 40 -11.390 10.592 -13.101 1.00 2.26 H new ATOM 370 N ALA A 41 -8.913 11.211 -9.763 1.00 0.68 N ATOM 371 CA ALA A 41 -9.598 12.487 -9.631 1.00 0.70 C ATOM 372 C ALA A 41 -8.819 13.423 -8.715 1.00 0.71 C ATOM 373 O ALA A 41 -9.117 14.614 -8.627 1.00 0.78 O ATOM 374 CB ALA A 41 -11.004 12.292 -9.092 1.00 0.68 C ATOM 0 H ALA A 41 -9.327 10.457 -9.215 1.00 0.68 H new ATOM 0 HA ALA A 41 -9.662 12.936 -10.622 1.00 0.70 H new ATOM 0 HB1 ALA A 41 -11.497 13.260 -9.002 1.00 0.68 H new ATOM 0 HB2 ALA A 41 -11.571 11.659 -9.774 1.00 0.68 H new ATOM 0 HB3 ALA A 41 -10.955 11.817 -8.112 1.00 0.68 H new ATOM 380 N LYS A 42 -7.839 12.847 -8.015 1.00 0.68 N ATOM 381 CA LYS A 42 -6.937 13.587 -7.133 1.00 0.70 C ATOM 382 C LYS A 42 -7.615 13.975 -5.821 1.00 0.66 C ATOM 383 O LYS A 42 -7.198 14.916 -5.143 1.00 0.70 O ATOM 384 CB LYS A 42 -6.356 14.811 -7.849 1.00 0.82 C ATOM 385 CG LYS A 42 -5.438 14.439 -9.004 1.00 0.96 C ATOM 386 CD LYS A 42 -4.265 13.599 -8.525 1.00 1.41 C ATOM 387 CE LYS A 42 -3.571 12.886 -9.674 1.00 1.57 C ATOM 388 NZ LYS A 42 -2.468 12.015 -9.190 1.00 2.30 N ATOM 0 H LYS A 42 -7.649 11.845 -8.045 1.00 0.68 H new ATOM 0 HA LYS A 42 -6.111 12.924 -6.877 1.00 0.70 H new ATOM 0 HB2 LYS A 42 -7.172 15.428 -8.224 1.00 0.82 H new ATOM 0 HB3 LYS A 42 -5.802 15.417 -7.132 1.00 0.82 H new ATOM 0 HG2 LYS A 42 -6.001 13.887 -9.756 1.00 0.96 H new ATOM 0 HG3 LYS A 42 -5.068 15.345 -9.484 1.00 0.96 H new ATOM 0 HD2 LYS A 42 -3.548 14.238 -8.008 1.00 1.41 H new ATOM 0 HD3 LYS A 42 -4.617 12.864 -7.801 1.00 1.41 H new ATOM 0 HE2 LYS A 42 -4.297 12.285 -10.222 1.00 1.57 H new ATOM 0 HE3 LYS A 42 -3.174 13.622 -10.373 1.00 1.57 H new ATOM 0 HZ1 LYS A 42 -1.555 12.414 -9.487 1.00 2.30 H new ATOM 0 HZ2 LYS A 42 -2.500 11.959 -8.152 1.00 2.30 H new ATOM 0 HZ3 LYS A 42 -2.576 11.062 -9.592 1.00 2.30 H new ATOM 402 N ASP A 43 -8.640 13.221 -5.448 1.00 0.61 N ATOM 403 CA ASP A 43 -9.276 13.385 -4.151 1.00 0.58 C ATOM 404 C ASP A 43 -8.946 12.183 -3.277 1.00 0.52 C ATOM 405 O ASP A 43 -9.704 11.211 -3.197 1.00 0.54 O ATOM 406 CB ASP A 43 -10.786 13.546 -4.284 1.00 0.61 C ATOM 407 CG ASP A 43 -11.421 14.093 -3.017 1.00 0.61 C ATOM 408 OD1 ASP A 43 -11.114 13.590 -1.914 1.00 0.60 O ATOM 409 OD2 ASP A 43 -12.235 15.035 -3.119 1.00 0.73 O ATOM 0 H ASP A 43 -9.049 12.488 -6.028 1.00 0.61 H new ATOM 0 HA ASP A 43 -8.892 14.294 -3.688 1.00 0.58 H new ATOM 0 HB2 ASP A 43 -11.006 14.215 -5.116 1.00 0.61 H new ATOM 0 HB3 ASP A 43 -11.232 12.581 -4.524 1.00 0.61 H new ATOM 414 N TYR A 44 -7.786 12.246 -2.654 1.00 0.48 N ATOM 415 CA TYR A 44 -7.260 11.144 -1.876 1.00 0.45 C ATOM 416 C TYR A 44 -8.035 10.920 -0.583 1.00 0.44 C ATOM 417 O TYR A 44 -8.038 9.812 -0.059 1.00 0.43 O ATOM 418 CB TYR A 44 -5.798 11.422 -1.571 1.00 0.45 C ATOM 419 CG TYR A 44 -4.977 11.577 -2.828 1.00 0.48 C ATOM 420 CD1 TYR A 44 -4.890 10.538 -3.741 1.00 0.49 C ATOM 421 CD2 TYR A 44 -4.306 12.758 -3.109 1.00 0.57 C ATOM 422 CE1 TYR A 44 -4.153 10.667 -4.900 1.00 0.57 C ATOM 423 CE2 TYR A 44 -3.563 12.896 -4.267 1.00 0.65 C ATOM 424 CZ TYR A 44 -3.491 11.848 -5.159 1.00 0.64 C ATOM 425 OH TYR A 44 -2.751 11.978 -6.311 1.00 0.75 O ATOM 0 H TYR A 44 -7.180 13.066 -2.674 1.00 0.48 H new ATOM 0 HA TYR A 44 -7.364 10.231 -2.462 1.00 0.45 H new ATOM 0 HB2 TYR A 44 -5.719 12.329 -0.972 1.00 0.45 H new ATOM 0 HB3 TYR A 44 -5.392 10.608 -0.971 1.00 0.45 H new ATOM 0 HD1 TYR A 44 -5.408 9.612 -3.542 1.00 0.49 H new ATOM 0 HD2 TYR A 44 -4.365 13.582 -2.413 1.00 0.57 H new ATOM 0 HE1 TYR A 44 -4.095 9.847 -5.601 1.00 0.57 H new ATOM 0 HE2 TYR A 44 -3.042 13.820 -4.471 1.00 0.65 H new ATOM 0 HH TYR A 44 -2.349 12.871 -6.343 1.00 0.75 H new ATOM 435 N GLU A 45 -8.706 11.954 -0.083 1.00 0.48 N ATOM 436 CA GLU A 45 -9.371 11.870 1.218 1.00 0.50 C ATOM 437 C GLU A 45 -10.805 11.356 1.112 1.00 0.46 C ATOM 438 O GLU A 45 -11.288 10.689 2.023 1.00 0.43 O ATOM 439 CB GLU A 45 -9.330 13.212 1.943 1.00 0.61 C ATOM 440 CG GLU A 45 -9.167 14.393 1.020 1.00 0.76 C ATOM 441 CD GLU A 45 -9.169 15.710 1.767 1.00 0.87 C ATOM 442 OE1 GLU A 45 -8.373 15.863 2.717 1.00 1.17 O ATOM 443 OE2 GLU A 45 -9.960 16.605 1.399 1.00 1.47 O ATOM 0 H GLU A 45 -8.805 12.854 -0.553 1.00 0.48 H new ATOM 0 HA GLU A 45 -8.814 11.140 1.806 1.00 0.50 H new ATOM 0 HB2 GLU A 45 -10.249 13.334 2.516 1.00 0.61 H new ATOM 0 HB3 GLU A 45 -8.507 13.204 2.658 1.00 0.61 H new ATOM 0 HG2 GLU A 45 -8.233 14.293 0.467 1.00 0.76 H new ATOM 0 HG3 GLU A 45 -9.973 14.392 0.287 1.00 0.76 H new ATOM 450 N ASN A 46 -11.498 11.653 0.021 1.00 0.48 N ATOM 451 CA ASN A 46 -12.775 11.003 -0.218 1.00 0.48 C ATOM 452 C ASN A 46 -12.529 9.555 -0.575 1.00 0.43 C ATOM 453 O ASN A 46 -13.352 8.683 -0.300 1.00 0.43 O ATOM 454 CB ASN A 46 -13.585 11.699 -1.307 1.00 0.53 C ATOM 455 CG ASN A 46 -14.339 12.895 -0.769 1.00 0.60 C ATOM 456 OD1 ASN A 46 -15.468 12.769 -0.298 1.00 0.66 O ATOM 457 ND2 ASN A 46 -13.723 14.060 -0.830 1.00 0.63 N ATOM 0 H ASN A 46 -11.207 12.321 -0.693 1.00 0.48 H new ATOM 0 HA ASN A 46 -13.368 11.066 0.694 1.00 0.48 H new ATOM 0 HB2 ASN A 46 -12.918 12.020 -2.107 1.00 0.53 H new ATOM 0 HB3 ASN A 46 -14.290 10.992 -1.744 1.00 0.53 H new ATOM 0 HD21 ASN A 46 -14.184 14.899 -0.479 1.00 0.63 H new ATOM 0 HD22 ASN A 46 -12.786 14.121 -1.229 1.00 0.63 H new ATOM 464 N ALA A 47 -11.374 9.306 -1.182 1.00 0.41 N ATOM 465 CA ALA A 47 -10.901 7.950 -1.380 1.00 0.38 C ATOM 466 C ALA A 47 -10.635 7.303 -0.025 1.00 0.34 C ATOM 467 O ALA A 47 -11.022 6.161 0.209 1.00 0.32 O ATOM 468 CB ALA A 47 -9.650 7.945 -2.243 1.00 0.40 C ATOM 0 H ALA A 47 -10.751 10.028 -1.544 1.00 0.41 H new ATOM 0 HA ALA A 47 -11.665 7.372 -1.900 1.00 0.38 H new ATOM 0 HB1 ALA A 47 -9.308 6.919 -2.382 1.00 0.40 H new ATOM 0 HB2 ALA A 47 -9.876 8.387 -3.214 1.00 0.40 H new ATOM 0 HB3 ALA A 47 -8.868 8.525 -1.753 1.00 0.40 H new ATOM 474 N ILE A 48 -9.977 8.059 0.861 1.00 0.34 N ATOM 475 CA ILE A 48 -9.791 7.666 2.261 1.00 0.32 C ATOM 476 C ILE A 48 -11.107 7.170 2.850 1.00 0.29 C ATOM 477 O ILE A 48 -11.179 6.086 3.428 1.00 0.28 O ATOM 478 CB ILE A 48 -9.265 8.867 3.096 1.00 0.35 C ATOM 479 CG1 ILE A 48 -7.780 9.113 2.817 1.00 0.37 C ATOM 480 CG2 ILE A 48 -9.511 8.675 4.586 1.00 0.39 C ATOM 481 CD1 ILE A 48 -7.185 10.264 3.603 1.00 0.42 C ATOM 0 H ILE A 48 -9.559 8.960 0.627 1.00 0.34 H new ATOM 0 HA ILE A 48 -9.057 6.861 2.297 1.00 0.32 H new ATOM 0 HB ILE A 48 -9.826 9.748 2.786 1.00 0.35 H new ATOM 0 HG12 ILE A 48 -7.223 8.204 3.046 1.00 0.37 H new ATOM 0 HG13 ILE A 48 -7.649 9.308 1.753 1.00 0.37 H new ATOM 0 HG21 ILE A 48 -9.128 9.537 5.132 1.00 0.39 H new ATOM 0 HG22 ILE A 48 -10.581 8.576 4.768 1.00 0.39 H new ATOM 0 HG23 ILE A 48 -9.000 7.774 4.926 1.00 0.39 H new ATOM 0 HD11 ILE A 48 -6.131 10.372 3.348 1.00 0.42 H new ATOM 0 HD12 ILE A 48 -7.714 11.185 3.357 1.00 0.42 H new ATOM 0 HD13 ILE A 48 -7.282 10.064 4.670 1.00 0.42 H new ATOM 493 N LYS A 49 -12.137 7.980 2.667 1.00 0.31 N ATOM 494 CA LYS A 49 -13.488 7.658 3.096 1.00 0.32 C ATOM 495 C LYS A 49 -13.948 6.315 2.527 1.00 0.27 C ATOM 496 O LYS A 49 -14.436 5.456 3.261 1.00 0.27 O ATOM 497 CB LYS A 49 -14.419 8.781 2.644 1.00 0.39 C ATOM 498 CG LYS A 49 -15.893 8.511 2.863 1.00 0.44 C ATOM 499 CD LYS A 49 -16.730 9.667 2.344 1.00 0.63 C ATOM 500 CE LYS A 49 -16.659 9.778 0.828 1.00 1.02 C ATOM 501 NZ LYS A 49 -17.573 10.828 0.309 1.00 1.50 N ATOM 0 H LYS A 49 -12.058 8.889 2.212 1.00 0.31 H new ATOM 0 HA LYS A 49 -13.509 7.569 4.182 1.00 0.32 H new ATOM 0 HB2 LYS A 49 -14.148 9.694 3.175 1.00 0.39 H new ATOM 0 HB3 LYS A 49 -14.252 8.968 1.583 1.00 0.39 H new ATOM 0 HG2 LYS A 49 -16.179 7.590 2.354 1.00 0.44 H new ATOM 0 HG3 LYS A 49 -16.087 8.362 3.925 1.00 0.44 H new ATOM 0 HD2 LYS A 49 -17.767 9.532 2.651 1.00 0.63 H new ATOM 0 HD3 LYS A 49 -16.384 10.598 2.794 1.00 0.63 H new ATOM 0 HE2 LYS A 49 -15.636 10.005 0.528 1.00 1.02 H new ATOM 0 HE3 LYS A 49 -16.917 8.818 0.381 1.00 1.02 H new ATOM 0 HZ1 LYS A 49 -18.100 10.457 -0.507 1.00 1.50 H new ATOM 0 HZ2 LYS A 49 -18.241 11.107 1.056 1.00 1.50 H new ATOM 0 HZ3 LYS A 49 -17.018 11.657 0.014 1.00 1.50 H new ATOM 515 N PHE A 50 -13.774 6.135 1.222 1.00 0.27 N ATOM 516 CA PHE A 50 -14.212 4.913 0.555 1.00 0.27 C ATOM 517 C PHE A 50 -13.481 3.685 1.086 1.00 0.23 C ATOM 518 O PHE A 50 -14.084 2.627 1.246 1.00 0.25 O ATOM 519 CB PHE A 50 -14.025 5.018 -0.960 1.00 0.35 C ATOM 520 CG PHE A 50 -14.886 6.070 -1.602 1.00 0.43 C ATOM 521 CD1 PHE A 50 -16.216 6.207 -1.244 1.00 0.56 C ATOM 522 CD2 PHE A 50 -14.362 6.922 -2.560 1.00 0.71 C ATOM 523 CE1 PHE A 50 -17.010 7.174 -1.828 1.00 0.65 C ATOM 524 CE2 PHE A 50 -15.151 7.892 -3.147 1.00 0.81 C ATOM 525 CZ PHE A 50 -16.477 8.018 -2.782 1.00 0.66 C ATOM 0 H PHE A 50 -13.334 6.818 0.606 1.00 0.27 H new ATOM 0 HA PHE A 50 -15.274 4.795 0.773 1.00 0.27 H new ATOM 0 HB2 PHE A 50 -12.979 5.236 -1.174 1.00 0.35 H new ATOM 0 HB3 PHE A 50 -14.248 4.052 -1.413 1.00 0.35 H new ATOM 0 HD1 PHE A 50 -16.638 5.549 -0.499 1.00 0.56 H new ATOM 0 HD2 PHE A 50 -13.326 6.827 -2.851 1.00 0.71 H new ATOM 0 HE1 PHE A 50 -18.046 7.270 -1.539 1.00 0.65 H new ATOM 0 HE2 PHE A 50 -14.731 8.552 -3.892 1.00 0.81 H new ATOM 0 HZ PHE A 50 -17.095 8.775 -3.242 1.00 0.66 H new ATOM 535 N TYR A 51 -12.191 3.826 1.367 1.00 0.23 N ATOM 536 CA TYR A 51 -11.416 2.712 1.901 1.00 0.25 C ATOM 537 C TYR A 51 -11.939 2.318 3.272 1.00 0.21 C ATOM 538 O TYR A 51 -12.115 1.136 3.560 1.00 0.23 O ATOM 539 CB TYR A 51 -9.926 3.053 1.990 1.00 0.31 C ATOM 540 CG TYR A 51 -9.305 3.436 0.670 1.00 0.43 C ATOM 541 CD1 TYR A 51 -9.484 2.647 -0.460 1.00 0.53 C ATOM 542 CD2 TYR A 51 -8.557 4.596 0.549 1.00 0.51 C ATOM 543 CE1 TYR A 51 -8.932 3.008 -1.672 1.00 0.67 C ATOM 544 CE2 TYR A 51 -8.007 4.965 -0.662 1.00 0.65 C ATOM 545 CZ TYR A 51 -8.196 4.170 -1.767 1.00 0.72 C ATOM 546 OH TYR A 51 -7.654 4.546 -2.977 1.00 0.88 O ATOM 0 H TYR A 51 -11.664 4.690 1.236 1.00 0.23 H new ATOM 0 HA TYR A 51 -11.529 1.872 1.215 1.00 0.25 H new ATOM 0 HB2 TYR A 51 -9.793 3.874 2.694 1.00 0.31 H new ATOM 0 HB3 TYR A 51 -9.391 2.195 2.396 1.00 0.31 H new ATOM 0 HD1 TYR A 51 -10.063 1.738 -0.388 1.00 0.53 H new ATOM 0 HD2 TYR A 51 -8.402 5.221 1.416 1.00 0.51 H new ATOM 0 HE1 TYR A 51 -9.076 2.384 -2.542 1.00 0.67 H new ATOM 0 HE2 TYR A 51 -7.430 5.875 -0.741 1.00 0.65 H new ATOM 0 HH TYR A 51 -7.078 3.828 -3.315 1.00 0.88 H new ATOM 556 N SER A 52 -12.213 3.315 4.104 1.00 0.20 N ATOM 557 CA SER A 52 -12.743 3.069 5.433 1.00 0.22 C ATOM 558 C SER A 52 -14.102 2.391 5.323 1.00 0.22 C ATOM 559 O SER A 52 -14.385 1.412 6.012 1.00 0.23 O ATOM 560 CB SER A 52 -12.864 4.383 6.206 1.00 0.25 C ATOM 561 OG SER A 52 -11.604 5.027 6.329 1.00 0.56 O ATOM 0 H SER A 52 -12.076 4.300 3.879 1.00 0.20 H new ATOM 0 HA SER A 52 -12.061 2.413 5.975 1.00 0.22 H new ATOM 0 HB2 SER A 52 -13.565 5.044 5.696 1.00 0.25 H new ATOM 0 HB3 SER A 52 -13.274 4.188 7.197 1.00 0.25 H new ATOM 0 HG SER A 52 -11.354 5.425 5.469 1.00 0.56 H new ATOM 567 N GLN A 53 -14.923 2.901 4.415 1.00 0.24 N ATOM 568 CA GLN A 53 -16.245 2.346 4.169 1.00 0.27 C ATOM 569 C GLN A 53 -16.156 0.896 3.681 1.00 0.26 C ATOM 570 O GLN A 53 -17.036 0.082 3.963 1.00 0.30 O ATOM 571 CB GLN A 53 -16.986 3.216 3.154 1.00 0.31 C ATOM 572 CG GLN A 53 -17.368 4.585 3.700 1.00 0.37 C ATOM 573 CD GLN A 53 -18.227 5.397 2.745 1.00 0.49 C ATOM 574 OE1 GLN A 53 -18.044 5.207 1.446 1.00 1.12 O flip ATOM 575 NE2 GLN A 53 -19.053 6.200 3.175 1.00 0.94 N flip ATOM 0 H GLN A 53 -14.693 3.706 3.832 1.00 0.24 H new ATOM 0 HA GLN A 53 -16.801 2.341 5.107 1.00 0.27 H new ATOM 0 HB2 GLN A 53 -16.360 3.346 2.272 1.00 0.31 H new ATOM 0 HB3 GLN A 53 -17.888 2.697 2.831 1.00 0.31 H new ATOM 0 HG2 GLN A 53 -17.905 4.456 4.640 1.00 0.37 H new ATOM 0 HG3 GLN A 53 -16.460 5.144 3.925 1.00 0.37 H new ATOM 0 HE21 GLN A 53 -19.169 6.323 4.181 1.00 0.94 H new ATOM 0 HE22 GLN A 53 -19.622 6.743 2.526 1.00 0.94 H new ATOM 584 N ALA A 54 -15.083 0.572 2.971 1.00 0.23 N ATOM 585 CA ALA A 54 -14.856 -0.792 2.509 1.00 0.24 C ATOM 586 C ALA A 54 -14.524 -1.707 3.682 1.00 0.23 C ATOM 587 O ALA A 54 -14.824 -2.900 3.661 1.00 0.25 O ATOM 588 CB ALA A 54 -13.738 -0.822 1.478 1.00 0.25 C ATOM 0 H ALA A 54 -14.356 1.235 2.702 1.00 0.23 H new ATOM 0 HA ALA A 54 -15.771 -1.154 2.040 1.00 0.24 H new ATOM 0 HB1 ALA A 54 -13.580 -1.847 1.142 1.00 0.25 H new ATOM 0 HB2 ALA A 54 -14.012 -0.199 0.626 1.00 0.25 H new ATOM 0 HB3 ALA A 54 -12.820 -0.441 1.926 1.00 0.25 H new ATOM 594 N ILE A 55 -13.923 -1.122 4.713 1.00 0.22 N ATOM 595 CA ILE A 55 -13.562 -1.849 5.929 1.00 0.22 C ATOM 596 C ILE A 55 -14.768 -1.925 6.862 1.00 0.24 C ATOM 597 O ILE A 55 -14.760 -2.607 7.892 1.00 0.27 O ATOM 598 CB ILE A 55 -12.385 -1.160 6.646 1.00 0.23 C ATOM 599 CG1 ILE A 55 -11.252 -0.921 5.655 1.00 0.24 C ATOM 600 CG2 ILE A 55 -11.889 -1.998 7.820 1.00 0.27 C ATOM 601 CD1 ILE A 55 -10.307 0.168 6.085 1.00 0.28 C ATOM 0 H ILE A 55 -13.672 -0.133 4.731 1.00 0.22 H new ATOM 0 HA ILE A 55 -13.254 -2.858 5.653 1.00 0.22 H new ATOM 0 HB ILE A 55 -12.732 -0.204 7.040 1.00 0.23 H new ATOM 0 HG12 ILE A 55 -10.693 -1.847 5.523 1.00 0.24 H new ATOM 0 HG13 ILE A 55 -11.676 -0.663 4.684 1.00 0.24 H new ATOM 0 HG21 ILE A 55 -11.058 -1.487 8.307 1.00 0.27 H new ATOM 0 HG22 ILE A 55 -12.699 -2.137 8.536 1.00 0.27 H new ATOM 0 HG23 ILE A 55 -11.555 -2.970 7.458 1.00 0.27 H new ATOM 0 HD11 ILE A 55 -9.524 0.287 5.336 1.00 0.28 H new ATOM 0 HD12 ILE A 55 -10.855 1.105 6.190 1.00 0.28 H new ATOM 0 HD13 ILE A 55 -9.856 -0.098 7.041 1.00 0.28 H new ATOM 613 N GLU A 56 -15.802 -1.198 6.499 1.00 0.27 N ATOM 614 CA GLU A 56 -17.081 -1.308 7.166 1.00 0.31 C ATOM 615 C GLU A 56 -17.886 -2.426 6.517 1.00 0.31 C ATOM 616 O GLU A 56 -18.731 -3.056 7.149 1.00 0.34 O ATOM 617 CB GLU A 56 -17.827 0.016 7.047 1.00 0.34 C ATOM 618 CG GLU A 56 -16.989 1.204 7.472 1.00 0.36 C ATOM 619 CD GLU A 56 -16.872 1.325 8.976 1.00 0.45 C ATOM 620 OE1 GLU A 56 -17.778 1.916 9.597 1.00 0.78 O ATOM 621 OE2 GLU A 56 -15.874 0.834 9.544 1.00 0.81 O ATOM 0 H GLU A 56 -15.781 -0.518 5.739 1.00 0.27 H new ATOM 0 HA GLU A 56 -16.935 -1.538 8.221 1.00 0.31 H new ATOM 0 HB2 GLU A 56 -18.148 0.155 6.015 1.00 0.34 H new ATOM 0 HB3 GLU A 56 -18.728 -0.024 7.659 1.00 0.34 H new ATOM 0 HG2 GLU A 56 -15.992 1.114 7.040 1.00 0.36 H new ATOM 0 HG3 GLU A 56 -17.429 2.117 7.071 1.00 0.36 H new ATOM 628 N LEU A 57 -17.600 -2.669 5.243 1.00 0.31 N ATOM 629 CA LEU A 57 -18.284 -3.706 4.489 1.00 0.33 C ATOM 630 C LEU A 57 -17.631 -5.065 4.726 1.00 0.33 C ATOM 631 O LEU A 57 -18.302 -6.008 5.143 1.00 0.40 O ATOM 632 CB LEU A 57 -18.303 -3.344 3.008 1.00 0.34 C ATOM 633 CG LEU A 57 -18.939 -1.985 2.708 1.00 0.35 C ATOM 634 CD1 LEU A 57 -18.906 -1.687 1.232 1.00 0.37 C ATOM 635 CD2 LEU A 57 -20.364 -1.928 3.231 1.00 0.40 C ATOM 0 H LEU A 57 -16.895 -2.158 4.711 1.00 0.31 H new ATOM 0 HA LEU A 57 -19.315 -3.777 4.835 1.00 0.33 H new ATOM 0 HB2 LEU A 57 -17.280 -3.346 2.631 1.00 0.34 H new ATOM 0 HB3 LEU A 57 -18.846 -4.116 2.463 1.00 0.34 H new ATOM 0 HG LEU A 57 -18.354 -1.222 3.222 1.00 0.35 H new ATOM 0 HD11 LEU A 57 -19.364 -0.716 1.047 1.00 0.37 H new ATOM 0 HD12 LEU A 57 -17.872 -1.672 0.887 1.00 0.37 H new ATOM 0 HD13 LEU A 57 -19.458 -2.457 0.693 1.00 0.37 H new ATOM 0 HD21 LEU A 57 -20.795 -0.953 3.006 1.00 0.40 H new ATOM 0 HD22 LEU A 57 -20.958 -2.707 2.753 1.00 0.40 H new ATOM 0 HD23 LEU A 57 -20.362 -2.084 4.310 1.00 0.40 H new ATOM 647 N ASN A 58 -16.330 -5.165 4.481 1.00 0.29 N ATOM 648 CA ASN A 58 -15.584 -6.351 4.873 1.00 0.30 C ATOM 649 C ASN A 58 -14.632 -5.902 5.980 1.00 0.30 C ATOM 650 O ASN A 58 -14.530 -4.709 6.215 1.00 0.34 O ATOM 651 CB ASN A 58 -14.806 -6.872 3.646 1.00 0.35 C ATOM 652 CG ASN A 58 -14.432 -8.342 3.725 1.00 0.59 C ATOM 653 OD1 ASN A 58 -15.167 -9.156 4.271 1.00 1.53 O ATOM 654 ND2 ASN A 58 -13.286 -8.695 3.173 1.00 0.57 N ATOM 0 H ASN A 58 -15.775 -4.446 4.017 1.00 0.29 H new ATOM 0 HA ASN A 58 -16.226 -7.157 5.228 1.00 0.30 H new ATOM 0 HB2 ASN A 58 -15.408 -6.709 2.752 1.00 0.35 H new ATOM 0 HB3 ASN A 58 -13.896 -6.283 3.529 1.00 0.35 H new ATOM 0 HD21 ASN A 58 -12.989 -9.671 3.193 1.00 0.57 H new ATOM 0 HD22 ASN A 58 -12.697 -7.992 2.726 1.00 0.57 H new ATOM 661 N PRO A 59 -13.911 -6.789 6.674 1.00 0.31 N ATOM 662 CA PRO A 59 -12.895 -6.371 7.620 1.00 0.35 C ATOM 663 C PRO A 59 -11.447 -6.602 7.166 1.00 0.35 C ATOM 664 O PRO A 59 -10.789 -5.700 6.642 1.00 0.35 O ATOM 665 CB PRO A 59 -13.251 -7.240 8.819 1.00 0.41 C ATOM 666 CG PRO A 59 -13.813 -8.511 8.235 1.00 0.41 C ATOM 667 CD PRO A 59 -14.130 -8.229 6.779 1.00 0.34 C ATOM 0 HA PRO A 59 -12.904 -5.295 7.792 1.00 0.35 H new ATOM 0 HB2 PRO A 59 -12.373 -7.443 9.432 1.00 0.41 H new ATOM 0 HB3 PRO A 59 -13.980 -6.746 9.461 1.00 0.41 H new ATOM 0 HG2 PRO A 59 -13.094 -9.326 8.322 1.00 0.41 H new ATOM 0 HG3 PRO A 59 -14.710 -8.818 8.772 1.00 0.41 H new ATOM 0 HD2 PRO A 59 -13.478 -8.787 6.107 1.00 0.34 H new ATOM 0 HD3 PRO A 59 -15.155 -8.502 6.528 1.00 0.34 H new ATOM 675 N SER A 60 -10.975 -7.830 7.352 1.00 0.44 N ATOM 676 CA SER A 60 -9.567 -8.154 7.241 1.00 0.49 C ATOM 677 C SER A 60 -9.122 -8.373 5.795 1.00 0.49 C ATOM 678 O SER A 60 -8.937 -9.510 5.356 1.00 0.68 O ATOM 679 CB SER A 60 -9.286 -9.401 8.082 1.00 0.63 C ATOM 680 OG SER A 60 -9.777 -9.244 9.407 1.00 1.52 O ATOM 0 H SER A 60 -11.565 -8.629 7.585 1.00 0.44 H new ATOM 0 HA SER A 60 -8.992 -7.305 7.611 1.00 0.49 H new ATOM 0 HB2 SER A 60 -9.753 -10.270 7.618 1.00 0.63 H new ATOM 0 HB3 SER A 60 -8.213 -9.592 8.108 1.00 0.63 H new ATOM 0 HG SER A 60 -9.587 -10.054 9.924 1.00 1.52 H new ATOM 686 N ASN A 61 -8.987 -7.287 5.048 1.00 0.43 N ATOM 687 CA ASN A 61 -8.374 -7.351 3.728 1.00 0.45 C ATOM 688 C ASN A 61 -7.239 -6.352 3.609 1.00 0.38 C ATOM 689 O ASN A 61 -7.433 -5.142 3.788 1.00 0.34 O ATOM 690 CB ASN A 61 -9.389 -7.108 2.612 1.00 0.48 C ATOM 691 CG ASN A 61 -9.940 -8.386 1.997 1.00 0.79 C ATOM 692 OD1 ASN A 61 -11.093 -8.423 1.576 1.00 1.76 O ATOM 693 ND2 ASN A 61 -9.122 -9.431 1.899 1.00 1.07 N ATOM 0 H ASN A 61 -9.292 -6.355 5.331 1.00 0.43 H new ATOM 0 HA ASN A 61 -7.979 -8.361 3.614 1.00 0.45 H new ATOM 0 HB2 ASN A 61 -10.217 -6.520 3.008 1.00 0.48 H new ATOM 0 HB3 ASN A 61 -8.920 -6.512 1.830 1.00 0.48 H new ATOM 0 HD21 ASN A 61 -9.447 -10.294 1.464 1.00 1.07 H new ATOM 0 HD22 ASN A 61 -8.170 -9.369 2.259 1.00 1.07 H new ATOM 700 N ALA A 62 -6.057 -6.855 3.280 1.00 0.42 N ATOM 701 CA ALA A 62 -4.892 -6.002 3.097 1.00 0.42 C ATOM 702 C ALA A 62 -5.108 -5.054 1.925 1.00 0.37 C ATOM 703 O ALA A 62 -4.469 -4.014 1.835 1.00 0.38 O ATOM 704 CB ALA A 62 -3.642 -6.831 2.867 1.00 0.52 C ATOM 0 H ALA A 62 -5.880 -7.849 3.135 1.00 0.42 H new ATOM 0 HA ALA A 62 -4.756 -5.418 4.008 1.00 0.42 H new ATOM 0 HB1 ALA A 62 -2.786 -6.169 2.733 1.00 0.52 H new ATOM 0 HB2 ALA A 62 -3.470 -7.477 3.728 1.00 0.52 H new ATOM 0 HB3 ALA A 62 -3.770 -7.443 1.974 1.00 0.52 H new ATOM 710 N ILE A 63 -6.013 -5.442 1.031 1.00 0.36 N ATOM 711 CA ILE A 63 -6.406 -4.614 -0.106 1.00 0.35 C ATOM 712 C ILE A 63 -6.776 -3.206 0.351 1.00 0.31 C ATOM 713 O ILE A 63 -6.286 -2.207 -0.175 1.00 0.34 O ATOM 714 CB ILE A 63 -7.634 -5.222 -0.827 1.00 0.43 C ATOM 715 CG1 ILE A 63 -7.333 -6.642 -1.318 1.00 0.57 C ATOM 716 CG2 ILE A 63 -8.064 -4.338 -1.989 1.00 0.49 C ATOM 717 CD1 ILE A 63 -6.313 -6.696 -2.429 1.00 0.74 C ATOM 0 H ILE A 63 -6.495 -6.340 1.074 1.00 0.36 H new ATOM 0 HA ILE A 63 -5.555 -4.573 -0.786 1.00 0.35 H new ATOM 0 HB ILE A 63 -8.454 -5.276 -0.110 1.00 0.43 H new ATOM 0 HG12 ILE A 63 -6.975 -7.239 -0.479 1.00 0.57 H new ATOM 0 HG13 ILE A 63 -8.259 -7.101 -1.664 1.00 0.57 H new ATOM 0 HG21 ILE A 63 -8.928 -4.782 -2.483 1.00 0.49 H new ATOM 0 HG22 ILE A 63 -8.328 -3.349 -1.615 1.00 0.49 H new ATOM 0 HG23 ILE A 63 -7.244 -4.250 -2.702 1.00 0.49 H new ATOM 0 HD11 ILE A 63 -6.151 -7.733 -2.724 1.00 0.74 H new ATOM 0 HD12 ILE A 63 -6.677 -6.127 -3.285 1.00 0.74 H new ATOM 0 HD13 ILE A 63 -5.373 -6.267 -2.081 1.00 0.74 H new ATOM 729 N TYR A 64 -7.634 -3.140 1.356 1.00 0.29 N ATOM 730 CA TYR A 64 -8.197 -1.876 1.781 1.00 0.28 C ATOM 731 C TYR A 64 -7.263 -1.164 2.741 1.00 0.30 C ATOM 732 O TYR A 64 -7.128 0.050 2.681 1.00 0.34 O ATOM 733 CB TYR A 64 -9.570 -2.102 2.412 1.00 0.26 C ATOM 734 CG TYR A 64 -10.475 -2.938 1.540 1.00 0.26 C ATOM 735 CD1 TYR A 64 -10.707 -2.592 0.214 1.00 0.28 C ATOM 736 CD2 TYR A 64 -11.064 -4.094 2.029 1.00 0.38 C ATOM 737 CE1 TYR A 64 -11.506 -3.372 -0.597 1.00 0.30 C ATOM 738 CE2 TYR A 64 -11.857 -4.884 1.223 1.00 0.43 C ATOM 739 CZ TYR A 64 -12.076 -4.520 -0.090 1.00 0.35 C ATOM 740 OH TYR A 64 -12.856 -5.309 -0.903 1.00 0.42 O ATOM 0 H TYR A 64 -7.953 -3.948 1.890 1.00 0.29 H new ATOM 0 HA TYR A 64 -8.320 -1.235 0.908 1.00 0.28 H new ATOM 0 HB2 TYR A 64 -9.446 -2.592 3.378 1.00 0.26 H new ATOM 0 HB3 TYR A 64 -10.042 -1.138 2.602 1.00 0.26 H new ATOM 0 HD1 TYR A 64 -10.254 -1.698 -0.188 1.00 0.28 H new ATOM 0 HD2 TYR A 64 -10.899 -4.380 3.057 1.00 0.38 H new ATOM 0 HE1 TYR A 64 -11.684 -3.085 -1.623 1.00 0.30 H new ATOM 0 HE2 TYR A 64 -12.305 -5.784 1.618 1.00 0.43 H new ATOM 0 HH TYR A 64 -13.182 -6.081 -0.395 1.00 0.42 H new ATOM 750 N TYR A 65 -6.605 -1.922 3.609 1.00 0.30 N ATOM 751 CA TYR A 65 -5.656 -1.335 4.549 1.00 0.32 C ATOM 752 C TYR A 65 -4.396 -0.850 3.841 1.00 0.33 C ATOM 753 O TYR A 65 -3.867 0.207 4.169 1.00 0.37 O ATOM 754 CB TYR A 65 -5.292 -2.332 5.642 1.00 0.34 C ATOM 755 CG TYR A 65 -6.227 -2.300 6.829 1.00 0.36 C ATOM 756 CD1 TYR A 65 -7.547 -2.719 6.721 1.00 0.37 C ATOM 757 CD2 TYR A 65 -5.777 -1.863 8.065 1.00 0.51 C ATOM 758 CE1 TYR A 65 -8.392 -2.702 7.815 1.00 0.40 C ATOM 759 CE2 TYR A 65 -6.614 -1.840 9.162 1.00 0.58 C ATOM 760 CZ TYR A 65 -7.920 -2.262 9.034 1.00 0.47 C ATOM 761 OH TYR A 65 -8.754 -2.246 10.132 1.00 0.55 O ATOM 0 H TYR A 65 -6.708 -2.934 3.683 1.00 0.30 H new ATOM 0 HA TYR A 65 -6.141 -0.472 5.006 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -5.290 -3.337 5.219 1.00 0.34 H new ATOM 0 HB3 TYR A 65 -4.277 -2.128 5.984 1.00 0.34 H new ATOM 0 HD1 TYR A 65 -7.919 -3.063 5.767 1.00 0.37 H new ATOM 0 HD2 TYR A 65 -4.754 -1.535 8.171 1.00 0.51 H new ATOM 0 HE1 TYR A 65 -9.416 -3.031 7.716 1.00 0.40 H new ATOM 0 HE2 TYR A 65 -6.247 -1.493 10.117 1.00 0.58 H new ATOM 0 HH TYR A 65 -8.263 -1.909 10.911 1.00 0.55 H new ATOM 771 N GLY A 66 -3.930 -1.613 2.863 1.00 0.35 N ATOM 772 CA GLY A 66 -2.756 -1.219 2.113 1.00 0.41 C ATOM 773 C GLY A 66 -3.019 0.014 1.280 1.00 0.43 C ATOM 774 O GLY A 66 -2.173 0.905 1.180 1.00 0.51 O ATOM 0 H GLY A 66 -4.345 -2.499 2.575 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -1.932 -1.026 2.800 1.00 0.41 H new ATOM 0 HA3 GLY A 66 -2.445 -2.038 1.464 1.00 0.41 H new ATOM 778 N ASN A 67 -4.201 0.074 0.688 1.00 0.44 N ATOM 779 CA ASN A 67 -4.600 1.238 -0.082 1.00 0.57 C ATOM 780 C ASN A 67 -4.906 2.400 0.861 1.00 0.41 C ATOM 781 O ASN A 67 -4.751 3.572 0.508 1.00 0.38 O ATOM 782 CB ASN A 67 -5.818 0.911 -0.943 1.00 0.84 C ATOM 783 CG ASN A 67 -5.883 1.756 -2.198 1.00 1.28 C ATOM 784 OD1 ASN A 67 -5.398 2.888 -2.236 1.00 2.28 O ATOM 785 ND2 ASN A 67 -6.483 1.207 -3.240 1.00 1.35 N ATOM 0 H ASN A 67 -4.899 -0.669 0.727 1.00 0.44 H new ATOM 0 HA ASN A 67 -3.782 1.527 -0.742 1.00 0.57 H new ATOM 0 HB2 ASN A 67 -5.792 -0.143 -1.219 1.00 0.84 H new ATOM 0 HB3 ASN A 67 -6.725 1.064 -0.358 1.00 0.84 H new ATOM 0 HD21 ASN A 67 -6.557 1.724 -4.116 1.00 1.35 H new ATOM 0 HD22 ASN A 67 -6.872 0.267 -3.168 1.00 1.35 H new ATOM 792 N ARG A 68 -5.340 2.061 2.073 1.00 0.39 N ATOM 793 CA ARG A 68 -5.482 3.039 3.143 1.00 0.39 C ATOM 794 C ARG A 68 -4.143 3.687 3.425 1.00 0.31 C ATOM 795 O ARG A 68 -4.047 4.914 3.514 1.00 0.32 O ATOM 796 CB ARG A 68 -6.028 2.384 4.417 1.00 0.53 C ATOM 797 CG ARG A 68 -7.541 2.447 4.534 1.00 0.80 C ATOM 798 CD ARG A 68 -7.986 3.723 5.227 1.00 0.48 C ATOM 799 NE ARG A 68 -7.336 4.911 4.687 1.00 0.94 N ATOM 800 CZ ARG A 68 -7.334 6.085 5.304 1.00 1.16 C ATOM 801 NH1 ARG A 68 -8.052 6.254 6.410 1.00 1.42 N ATOM 802 NH2 ARG A 68 -6.625 7.092 4.811 1.00 1.87 N ATOM 0 H ARG A 68 -5.600 1.111 2.337 1.00 0.39 H new ATOM 0 HA ARG A 68 -6.193 3.801 2.822 1.00 0.39 H new ATOM 0 HB2 ARG A 68 -5.713 1.341 4.442 1.00 0.53 H new ATOM 0 HB3 ARG A 68 -5.584 2.872 5.285 1.00 0.53 H new ATOM 0 HG2 ARG A 68 -7.988 2.395 3.541 1.00 0.80 H new ATOM 0 HG3 ARG A 68 -7.902 1.583 5.092 1.00 0.80 H new ATOM 0 HD2 ARG A 68 -9.066 3.828 5.128 1.00 0.48 H new ATOM 0 HD3 ARG A 68 -7.769 3.648 6.293 1.00 0.48 H new ATOM 0 HE ARG A 68 -6.858 4.835 3.789 1.00 0.94 H new ATOM 0 HH11 ARG A 68 -8.603 5.481 6.783 1.00 1.42 H new ATOM 0 HH12 ARG A 68 -8.051 7.156 6.886 1.00 1.42 H new ATOM 0 HH21 ARG A 68 -6.082 6.963 3.958 1.00 1.87 H new ATOM 0 HH22 ARG A 68 -6.623 7.995 5.285 1.00 1.87 H new ATOM 816 N SER A 69 -3.116 2.852 3.548 1.00 0.31 N ATOM 817 CA SER A 69 -1.754 3.320 3.699 1.00 0.32 C ATOM 818 C SER A 69 -1.386 4.247 2.552 1.00 0.27 C ATOM 819 O SER A 69 -0.800 5.298 2.771 1.00 0.27 O ATOM 820 CB SER A 69 -0.794 2.135 3.731 1.00 0.43 C ATOM 821 OG SER A 69 -1.203 1.190 4.697 1.00 1.16 O ATOM 0 H SER A 69 -3.210 1.836 3.545 1.00 0.31 H new ATOM 0 HA SER A 69 -1.677 3.869 4.637 1.00 0.32 H new ATOM 0 HB2 SER A 69 -0.755 1.665 2.748 1.00 0.43 H new ATOM 0 HB3 SER A 69 0.214 2.483 3.958 1.00 0.43 H new ATOM 0 HG SER A 69 -2.035 0.763 4.405 1.00 1.16 H new ATOM 827 N LEU A 70 -1.740 3.856 1.330 1.00 0.28 N ATOM 828 CA LEU A 70 -1.472 4.685 0.165 1.00 0.31 C ATOM 829 C LEU A 70 -2.153 6.037 0.284 1.00 0.31 C ATOM 830 O LEU A 70 -1.527 7.041 0.052 1.00 0.38 O ATOM 831 CB LEU A 70 -1.906 4.012 -1.132 1.00 0.36 C ATOM 832 CG LEU A 70 -1.452 4.758 -2.386 1.00 0.46 C ATOM 833 CD1 LEU A 70 0.034 4.550 -2.635 1.00 1.25 C ATOM 834 CD2 LEU A 70 -2.266 4.349 -3.593 1.00 1.16 C ATOM 0 H LEU A 70 -2.210 2.975 1.125 1.00 0.28 H new ATOM 0 HA LEU A 70 -0.392 4.827 0.132 1.00 0.31 H new ATOM 0 HB2 LEU A 70 -1.507 2.998 -1.157 1.00 0.36 H new ATOM 0 HB3 LEU A 70 -2.993 3.927 -1.142 1.00 0.36 H new ATOM 0 HG LEU A 70 -1.620 5.822 -2.218 1.00 0.46 H new ATOM 0 HD11 LEU A 70 0.332 5.091 -3.533 1.00 1.25 H new ATOM 0 HD12 LEU A 70 0.601 4.922 -1.782 1.00 1.25 H new ATOM 0 HD13 LEU A 70 0.235 3.487 -2.769 1.00 1.25 H new ATOM 0 HD21 LEU A 70 -1.919 4.897 -4.469 1.00 1.16 H new ATOM 0 HD22 LEU A 70 -2.149 3.279 -3.765 1.00 1.16 H new ATOM 0 HD23 LEU A 70 -3.317 4.576 -3.417 1.00 1.16 H new ATOM 846 N ALA A 71 -3.437 6.063 0.615 1.00 0.26 N ATOM 847 CA ALA A 71 -4.154 7.317 0.823 1.00 0.30 C ATOM 848 C ALA A 71 -3.460 8.171 1.875 1.00 0.29 C ATOM 849 O ALA A 71 -3.351 9.390 1.733 1.00 0.36 O ATOM 850 CB ALA A 71 -5.590 7.041 1.221 1.00 0.32 C ATOM 0 H ALA A 71 -4.007 5.227 0.746 1.00 0.26 H new ATOM 0 HA ALA A 71 -4.154 7.872 -0.115 1.00 0.30 H new ATOM 0 HB1 ALA A 71 -6.113 7.985 1.373 1.00 0.32 H new ATOM 0 HB2 ALA A 71 -6.084 6.475 0.431 1.00 0.32 H new ATOM 0 HB3 ALA A 71 -5.607 6.464 2.146 1.00 0.32 H new ATOM 856 N TYR A 72 -2.990 7.520 2.925 1.00 0.25 N ATOM 857 CA TYR A 72 -2.168 8.178 3.926 1.00 0.25 C ATOM 858 C TYR A 72 -0.857 8.679 3.302 1.00 0.26 C ATOM 859 O TYR A 72 -0.360 9.751 3.640 1.00 0.30 O ATOM 860 CB TYR A 72 -1.878 7.206 5.068 1.00 0.25 C ATOM 861 CG TYR A 72 -3.039 6.990 6.016 1.00 0.29 C ATOM 862 CD1 TYR A 72 -3.784 8.063 6.487 1.00 0.34 C ATOM 863 CD2 TYR A 72 -3.383 5.713 6.450 1.00 0.41 C ATOM 864 CE1 TYR A 72 -4.833 7.874 7.365 1.00 0.41 C ATOM 865 CE2 TYR A 72 -4.428 5.517 7.332 1.00 0.47 C ATOM 866 CZ TYR A 72 -5.149 6.600 7.786 1.00 0.43 C ATOM 867 OH TYR A 72 -6.190 6.410 8.665 1.00 0.52 O ATOM 0 H TYR A 72 -3.165 6.532 3.107 1.00 0.25 H new ATOM 0 HA TYR A 72 -2.707 9.040 4.319 1.00 0.25 H new ATOM 0 HB2 TYR A 72 -1.586 6.245 4.645 1.00 0.25 H new ATOM 0 HB3 TYR A 72 -1.025 7.576 5.636 1.00 0.25 H new ATOM 0 HD1 TYR A 72 -3.539 9.063 6.161 1.00 0.34 H new ATOM 0 HD2 TYR A 72 -2.824 4.861 6.091 1.00 0.41 H new ATOM 0 HE1 TYR A 72 -5.403 8.720 7.720 1.00 0.41 H new ATOM 0 HE2 TYR A 72 -4.679 4.520 7.664 1.00 0.47 H new ATOM 0 HH TYR A 72 -6.282 5.454 8.861 1.00 0.52 H new ATOM 877 N LEU A 73 -0.323 7.886 2.387 1.00 0.26 N ATOM 878 CA LEU A 73 0.884 8.224 1.634 1.00 0.30 C ATOM 879 C LEU A 73 0.620 9.352 0.631 1.00 0.37 C ATOM 880 O LEU A 73 1.517 10.116 0.282 1.00 0.50 O ATOM 881 CB LEU A 73 1.378 6.965 0.905 1.00 0.31 C ATOM 882 CG LEU A 73 2.121 5.951 1.780 1.00 0.31 C ATOM 883 CD1 LEU A 73 2.105 4.564 1.149 1.00 0.33 C ATOM 884 CD2 LEU A 73 3.551 6.404 1.990 1.00 0.43 C ATOM 0 H LEU A 73 -0.717 6.978 2.140 1.00 0.26 H new ATOM 0 HA LEU A 73 1.647 8.579 2.327 1.00 0.30 H new ATOM 0 HB2 LEU A 73 0.521 6.469 0.450 1.00 0.31 H new ATOM 0 HB3 LEU A 73 2.037 7.271 0.092 1.00 0.31 H new ATOM 0 HG LEU A 73 1.612 5.893 2.742 1.00 0.31 H new ATOM 0 HD11 LEU A 73 2.640 3.865 1.792 1.00 0.33 H new ATOM 0 HD12 LEU A 73 1.074 4.231 1.029 1.00 0.33 H new ATOM 0 HD13 LEU A 73 2.590 4.603 0.173 1.00 0.33 H new ATOM 0 HD21 LEU A 73 4.075 5.679 2.613 1.00 0.43 H new ATOM 0 HD22 LEU A 73 4.053 6.483 1.026 1.00 0.43 H new ATOM 0 HD23 LEU A 73 3.556 7.376 2.483 1.00 0.43 H new ATOM 896 N ARG A 74 -0.620 9.442 0.181 1.00 0.38 N ATOM 897 CA ARG A 74 -1.033 10.435 -0.797 1.00 0.48 C ATOM 898 C ARG A 74 -1.245 11.786 -0.136 1.00 0.53 C ATOM 899 O ARG A 74 -1.155 12.829 -0.783 1.00 0.67 O ATOM 900 CB ARG A 74 -2.323 9.983 -1.490 1.00 0.51 C ATOM 901 CG ARG A 74 -2.107 8.945 -2.581 1.00 0.48 C ATOM 902 CD ARG A 74 -2.919 7.680 -2.360 1.00 1.19 C ATOM 903 NE ARG A 74 -4.358 7.882 -2.519 1.00 1.95 N ATOM 904 CZ ARG A 74 -5.250 6.891 -2.531 1.00 2.78 C ATOM 905 NH1 ARG A 74 -4.864 5.640 -2.316 1.00 3.07 N ATOM 906 NH2 ARG A 74 -6.529 7.149 -2.750 1.00 3.53 N ATOM 0 H ARG A 74 -1.373 8.825 0.485 1.00 0.38 H new ATOM 0 HA ARG A 74 -0.242 10.535 -1.541 1.00 0.48 H new ATOM 0 HB2 ARG A 74 -3.001 9.573 -0.742 1.00 0.51 H new ATOM 0 HB3 ARG A 74 -2.815 10.854 -1.923 1.00 0.51 H new ATOM 0 HG2 ARG A 74 -2.373 9.378 -3.545 1.00 0.48 H new ATOM 0 HG3 ARG A 74 -1.049 8.688 -2.627 1.00 0.48 H new ATOM 0 HD2 ARG A 74 -2.587 6.916 -3.062 1.00 1.19 H new ATOM 0 HD3 ARG A 74 -2.721 7.300 -1.358 1.00 1.19 H new ATOM 0 HE ARG A 74 -4.700 8.837 -2.627 1.00 1.95 H new ATOM 0 HH11 ARG A 74 -3.881 5.433 -2.140 1.00 3.07 H new ATOM 0 HH12 ARG A 74 -5.550 4.886 -2.326 1.00 3.07 H new ATOM 0 HH21 ARG A 74 -6.836 8.109 -2.910 1.00 3.53 H new ATOM 0 HH22 ARG A 74 -7.209 6.388 -2.758 1.00 3.53 H new ATOM 920 N THR A 75 -1.533 11.755 1.152 1.00 0.48 N ATOM 921 CA THR A 75 -1.765 12.967 1.907 1.00 0.57 C ATOM 922 C THR A 75 -0.475 13.444 2.581 1.00 0.70 C ATOM 923 O THR A 75 0.227 14.307 2.048 1.00 1.53 O ATOM 924 CB THR A 75 -2.886 12.751 2.949 1.00 0.54 C ATOM 925 OG1 THR A 75 -2.629 11.561 3.713 1.00 0.55 O ATOM 926 CG2 THR A 75 -4.239 12.621 2.265 1.00 0.49 C ATOM 0 H THR A 75 -1.612 10.897 1.698 1.00 0.48 H new ATOM 0 HA THR A 75 -2.089 13.745 1.215 1.00 0.57 H new ATOM 0 HB THR A 75 -2.903 13.616 3.611 1.00 0.54 H new ATOM 0 HG1 THR A 75 -2.612 11.782 4.668 1.00 0.55 H new ATOM 0 HG21 THR A 75 -5.014 12.470 3.017 1.00 0.49 H new ATOM 0 HG22 THR A 75 -4.451 13.530 1.703 1.00 0.49 H new ATOM 0 HG23 THR A 75 -4.222 11.770 1.585 1.00 0.49 H new ATOM 934 N GLU A 76 -0.171 12.866 3.741 1.00 0.57 N ATOM 935 CA GLU A 76 1.057 13.167 4.488 1.00 0.59 C ATOM 936 C GLU A 76 1.061 12.401 5.806 1.00 0.42 C ATOM 937 O GLU A 76 1.670 12.821 6.792 1.00 0.45 O ATOM 938 CB GLU A 76 1.177 14.670 4.766 1.00 0.86 C ATOM 939 CG GLU A 76 0.002 15.251 5.532 1.00 1.85 C ATOM 940 CD GLU A 76 0.195 16.717 5.840 1.00 2.38 C ATOM 941 OE1 GLU A 76 0.845 17.035 6.856 1.00 2.71 O ATOM 942 OE2 GLU A 76 -0.322 17.559 5.078 1.00 2.77 O ATOM 0 H GLU A 76 -0.768 12.174 4.194 1.00 0.57 H new ATOM 0 HA GLU A 76 1.909 12.859 3.882 1.00 0.59 H new ATOM 0 HB2 GLU A 76 2.092 14.853 5.330 1.00 0.86 H new ATOM 0 HB3 GLU A 76 1.276 15.198 3.818 1.00 0.86 H new ATOM 0 HG2 GLU A 76 -0.910 15.120 4.950 1.00 1.85 H new ATOM 0 HG3 GLU A 76 -0.132 14.700 6.463 1.00 1.85 H new ATOM 949 N CYS A 77 0.420 11.250 5.794 1.00 0.32 N ATOM 950 CA CYS A 77 0.135 10.505 7.007 1.00 0.32 C ATOM 951 C CYS A 77 0.942 9.222 7.058 1.00 0.32 C ATOM 952 O CYS A 77 0.450 8.193 7.505 1.00 0.35 O ATOM 953 CB CYS A 77 -1.354 10.198 7.086 1.00 0.33 C ATOM 954 SG CYS A 77 -2.416 11.640 6.843 1.00 0.37 S ATOM 0 H CYS A 77 0.081 10.803 4.942 1.00 0.32 H new ATOM 0 HA CYS A 77 0.420 11.116 7.864 1.00 0.32 H new ATOM 0 HB2 CYS A 77 -1.600 9.448 6.335 1.00 0.33 H new ATOM 0 HB3 CYS A 77 -1.573 9.758 8.059 1.00 0.33 H new ATOM 0 HG CYS A 77 -3.662 11.280 6.925 1.00 0.37 H new ATOM 960 N TYR A 78 2.165 9.289 6.557 1.00 0.34 N ATOM 961 CA TYR A 78 3.047 8.125 6.457 1.00 0.38 C ATOM 962 C TYR A 78 3.148 7.357 7.779 1.00 0.41 C ATOM 963 O TYR A 78 3.378 6.148 7.779 1.00 0.43 O ATOM 964 CB TYR A 78 4.434 8.570 5.997 1.00 0.44 C ATOM 965 CG TYR A 78 4.389 9.691 4.982 1.00 0.42 C ATOM 966 CD1 TYR A 78 3.549 9.610 3.881 1.00 0.55 C ATOM 967 CD2 TYR A 78 5.162 10.834 5.135 1.00 0.54 C ATOM 968 CE1 TYR A 78 3.481 10.632 2.956 1.00 0.66 C ATOM 969 CE2 TYR A 78 5.101 11.864 4.214 1.00 0.66 C ATOM 970 CZ TYR A 78 4.258 11.755 3.126 1.00 0.66 C ATOM 971 OH TYR A 78 4.187 12.780 2.210 1.00 0.84 O ATOM 0 H TYR A 78 2.580 10.152 6.206 1.00 0.34 H new ATOM 0 HA TYR A 78 2.615 7.444 5.724 1.00 0.38 H new ATOM 0 HB2 TYR A 78 5.011 8.894 6.863 1.00 0.44 H new ATOM 0 HB3 TYR A 78 4.958 7.717 5.565 1.00 0.44 H new ATOM 0 HD1 TYR A 78 2.937 8.731 3.745 1.00 0.55 H new ATOM 0 HD2 TYR A 78 5.821 10.920 5.986 1.00 0.54 H new ATOM 0 HE1 TYR A 78 2.822 10.551 2.104 1.00 0.66 H new ATOM 0 HE2 TYR A 78 5.708 12.747 4.345 1.00 0.66 H new ATOM 0 HH TYR A 78 4.797 13.499 2.476 1.00 0.84 H new ATOM 981 N GLY A 79 2.978 8.058 8.898 1.00 0.43 N ATOM 982 CA GLY A 79 2.928 7.391 10.189 1.00 0.49 C ATOM 983 C GLY A 79 1.733 6.458 10.281 1.00 0.42 C ATOM 984 O GLY A 79 1.867 5.292 10.658 1.00 0.42 O ATOM 0 H GLY A 79 2.874 9.072 8.934 1.00 0.43 H new ATOM 0 HA2 GLY A 79 3.847 6.825 10.345 1.00 0.49 H new ATOM 0 HA3 GLY A 79 2.873 8.135 10.984 1.00 0.49 H new ATOM 988 N TYR A 80 0.564 6.975 9.915 1.00 0.38 N ATOM 989 CA TYR A 80 -0.651 6.168 9.818 1.00 0.36 C ATOM 990 C TYR A 80 -0.482 5.091 8.754 1.00 0.30 C ATOM 991 O TYR A 80 -0.896 3.950 8.936 1.00 0.32 O ATOM 992 CB TYR A 80 -1.852 7.039 9.442 1.00 0.40 C ATOM 993 CG TYR A 80 -2.491 7.808 10.580 1.00 0.56 C ATOM 994 CD1 TYR A 80 -1.706 8.278 11.622 1.00 1.06 C ATOM 995 CD2 TYR A 80 -3.858 8.049 10.628 1.00 0.96 C ATOM 996 CE1 TYR A 80 -2.256 8.969 12.679 1.00 1.34 C ATOM 997 CE2 TYR A 80 -4.421 8.740 11.687 1.00 1.28 C ATOM 998 CZ TYR A 80 -3.715 9.242 12.622 1.00 1.29 C ATOM 999 OH TYR A 80 -4.164 9.883 13.769 1.00 1.70 O ATOM 0 H TYR A 80 0.431 7.958 9.678 1.00 0.38 H new ATOM 0 HA TYR A 80 -0.825 5.709 10.791 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -1.536 7.751 8.680 1.00 0.40 H new ATOM 0 HB3 TYR A 80 -2.611 6.402 8.988 1.00 0.40 H new ATOM 0 HD1 TYR A 80 -0.641 8.099 11.604 1.00 1.06 H new ATOM 0 HD2 TYR A 80 -4.490 7.692 9.828 1.00 0.96 H new ATOM 0 HE1 TYR A 80 -1.653 9.298 13.512 1.00 1.34 H new ATOM 0 HE2 TYR A 80 -5.494 8.858 11.722 1.00 1.28 H new ATOM 0 HH TYR A 80 -5.127 10.047 13.696 1.00 1.70 H new ATOM 1009 N ALA A 81 0.134 5.476 7.640 1.00 0.28 N ATOM 1010 CA ALA A 81 0.355 4.572 6.520 1.00 0.28 C ATOM 1011 C ALA A 81 1.106 3.328 6.965 1.00 0.29 C ATOM 1012 O ALA A 81 0.692 2.209 6.676 1.00 0.33 O ATOM 1013 CB ALA A 81 1.119 5.281 5.413 1.00 0.31 C ATOM 0 H ALA A 81 0.492 6.419 7.490 1.00 0.28 H new ATOM 0 HA ALA A 81 -0.617 4.263 6.136 1.00 0.28 H new ATOM 0 HB1 ALA A 81 1.277 4.593 4.582 1.00 0.31 H new ATOM 0 HB2 ALA A 81 0.545 6.141 5.068 1.00 0.31 H new ATOM 0 HB3 ALA A 81 2.083 5.617 5.794 1.00 0.31 H new ATOM 1019 N LEU A 82 2.198 3.540 7.688 1.00 0.30 N ATOM 1020 CA LEU A 82 3.017 2.447 8.192 1.00 0.34 C ATOM 1021 C LEU A 82 2.198 1.575 9.144 1.00 0.32 C ATOM 1022 O LEU A 82 2.328 0.346 9.152 1.00 0.37 O ATOM 1023 CB LEU A 82 4.265 3.025 8.886 1.00 0.42 C ATOM 1024 CG LEU A 82 5.367 2.025 9.264 1.00 0.49 C ATOM 1025 CD1 LEU A 82 5.035 1.296 10.550 1.00 0.49 C ATOM 1026 CD2 LEU A 82 5.597 1.027 8.144 1.00 0.52 C ATOM 0 H LEU A 82 2.539 4.468 7.940 1.00 0.30 H new ATOM 0 HA LEU A 82 3.344 1.816 7.366 1.00 0.34 H new ATOM 0 HB2 LEU A 82 4.700 3.780 8.231 1.00 0.42 H new ATOM 0 HB3 LEU A 82 3.944 3.537 9.793 1.00 0.42 H new ATOM 0 HG LEU A 82 6.283 2.594 9.422 1.00 0.49 H new ATOM 0 HD11 LEU A 82 5.836 0.596 10.789 1.00 0.49 H new ATOM 0 HD12 LEU A 82 4.930 2.017 11.360 1.00 0.49 H new ATOM 0 HD13 LEU A 82 4.100 0.750 10.427 1.00 0.49 H new ATOM 0 HD21 LEU A 82 6.382 0.329 8.434 1.00 0.52 H new ATOM 0 HD22 LEU A 82 4.676 0.478 7.951 1.00 0.52 H new ATOM 0 HD23 LEU A 82 5.899 1.557 7.241 1.00 0.52 H new ATOM 1038 N ASN A 83 1.347 2.223 9.928 1.00 0.32 N ATOM 1039 CA ASN A 83 0.461 1.533 10.860 1.00 0.39 C ATOM 1040 C ASN A 83 -0.482 0.585 10.123 1.00 0.38 C ATOM 1041 O ASN A 83 -0.489 -0.622 10.375 1.00 0.42 O ATOM 1042 CB ASN A 83 -0.337 2.565 11.669 1.00 0.47 C ATOM 1043 CG ASN A 83 -1.487 1.957 12.454 1.00 1.25 C ATOM 1044 OD1 ASN A 83 -1.301 1.469 13.567 1.00 1.86 O ATOM 1045 ND2 ASN A 83 -2.688 2.009 11.893 1.00 2.09 N ATOM 0 H ASN A 83 1.250 3.238 9.937 1.00 0.32 H new ATOM 0 HA ASN A 83 1.067 0.934 11.539 1.00 0.39 H new ATOM 0 HB2 ASN A 83 0.336 3.074 12.359 1.00 0.47 H new ATOM 0 HB3 ASN A 83 -0.730 3.322 10.991 1.00 0.47 H new ATOM 0 HD21 ASN A 83 -3.498 1.636 12.387 1.00 2.09 H new ATOM 0 HD22 ASN A 83 -2.801 2.422 10.967 1.00 2.09 H new ATOM 1052 N ASP A 84 -1.253 1.135 9.194 1.00 0.39 N ATOM 1053 CA ASP A 84 -2.255 0.363 8.469 1.00 0.45 C ATOM 1054 C ASP A 84 -1.606 -0.648 7.529 1.00 0.42 C ATOM 1055 O ASP A 84 -2.159 -1.719 7.282 1.00 0.44 O ATOM 1056 CB ASP A 84 -3.188 1.293 7.686 1.00 0.55 C ATOM 1057 CG ASP A 84 -4.104 2.101 8.591 1.00 0.74 C ATOM 1058 OD1 ASP A 84 -3.598 2.936 9.375 1.00 1.10 O ATOM 1059 OD2 ASP A 84 -5.337 1.911 8.521 1.00 1.19 O ATOM 0 H ASP A 84 -1.203 2.117 8.924 1.00 0.39 H new ATOM 0 HA ASP A 84 -2.842 -0.189 9.203 1.00 0.45 H new ATOM 0 HB2 ASP A 84 -2.591 1.974 7.079 1.00 0.55 H new ATOM 0 HB3 ASP A 84 -3.793 0.701 6.999 1.00 0.55 H new ATOM 1064 N ALA A 85 -0.421 -0.318 7.024 1.00 0.41 N ATOM 1065 CA ALA A 85 0.296 -1.207 6.116 1.00 0.43 C ATOM 1066 C ALA A 85 0.753 -2.462 6.844 1.00 0.42 C ATOM 1067 O ALA A 85 0.630 -3.575 6.331 1.00 0.42 O ATOM 1068 CB ALA A 85 1.482 -0.492 5.491 1.00 0.48 C ATOM 0 H ALA A 85 0.062 0.557 7.228 1.00 0.41 H new ATOM 0 HA ALA A 85 -0.386 -1.502 5.318 1.00 0.43 H new ATOM 0 HB1 ALA A 85 2.003 -1.172 4.817 1.00 0.48 H new ATOM 0 HB2 ALA A 85 1.131 0.375 4.931 1.00 0.48 H new ATOM 0 HB3 ALA A 85 2.164 -0.165 6.276 1.00 0.48 H new ATOM 1074 N THR A 86 1.273 -2.275 8.050 1.00 0.42 N ATOM 1075 CA THR A 86 1.661 -3.395 8.890 1.00 0.44 C ATOM 1076 C THR A 86 0.433 -4.236 9.228 1.00 0.43 C ATOM 1077 O THR A 86 0.482 -5.471 9.237 1.00 0.44 O ATOM 1078 CB THR A 86 2.331 -2.904 10.189 1.00 0.47 C ATOM 1079 OG1 THR A 86 3.447 -2.058 9.869 1.00 0.47 O ATOM 1080 CG2 THR A 86 2.804 -4.073 11.043 1.00 0.55 C ATOM 0 H THR A 86 1.435 -1.358 8.466 1.00 0.42 H new ATOM 0 HA THR A 86 2.380 -4.003 8.341 1.00 0.44 H new ATOM 0 HB THR A 86 1.592 -2.342 10.760 1.00 0.47 H new ATOM 0 HG1 THR A 86 3.134 -1.138 9.740 1.00 0.47 H new ATOM 0 HG21 THR A 86 3.272 -3.694 11.952 1.00 0.55 H new ATOM 0 HG22 THR A 86 1.952 -4.699 11.308 1.00 0.55 H new ATOM 0 HG23 THR A 86 3.528 -4.664 10.482 1.00 0.55 H new ATOM 1088 N ARG A 87 -0.682 -3.559 9.462 1.00 0.43 N ATOM 1089 CA ARG A 87 -1.920 -4.237 9.788 1.00 0.43 C ATOM 1090 C ARG A 87 -2.433 -5.021 8.581 1.00 0.39 C ATOM 1091 O ARG A 87 -3.109 -6.031 8.738 1.00 0.38 O ATOM 1092 CB ARG A 87 -2.974 -3.240 10.265 1.00 0.47 C ATOM 1093 CG ARG A 87 -4.173 -3.906 10.920 1.00 0.58 C ATOM 1094 CD ARG A 87 -3.760 -4.681 12.163 1.00 0.71 C ATOM 1095 NE ARG A 87 -4.826 -5.550 12.651 1.00 1.63 N ATOM 1096 CZ ARG A 87 -5.236 -5.599 13.917 1.00 2.24 C ATOM 1097 NH1 ARG A 87 -4.667 -4.832 14.845 1.00 2.10 N ATOM 1098 NH2 ARG A 87 -6.209 -6.430 14.254 1.00 3.28 N ATOM 0 H ARG A 87 -0.751 -2.542 9.431 1.00 0.43 H new ATOM 0 HA ARG A 87 -1.722 -4.938 10.599 1.00 0.43 H new ATOM 0 HB2 ARG A 87 -2.517 -2.549 10.974 1.00 0.47 H new ATOM 0 HB3 ARG A 87 -3.314 -2.647 9.416 1.00 0.47 H new ATOM 0 HG2 ARG A 87 -4.911 -3.150 11.188 1.00 0.58 H new ATOM 0 HG3 ARG A 87 -4.651 -4.580 10.210 1.00 0.58 H new ATOM 0 HD2 ARG A 87 -2.878 -5.281 11.938 1.00 0.71 H new ATOM 0 HD3 ARG A 87 -3.477 -3.980 12.948 1.00 0.71 H new ATOM 0 HE ARG A 87 -5.288 -6.161 11.977 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -3.909 -4.199 14.589 1.00 2.10 H new ATOM 0 HH12 ARG A 87 -4.989 -4.878 15.812 1.00 2.10 H new ATOM 0 HH21 ARG A 87 -6.638 -7.026 13.546 1.00 3.28 H new ATOM 0 HH22 ARG A 87 -6.530 -6.474 15.221 1.00 3.28 H new ATOM 1112 N ALA A 88 -2.100 -4.560 7.379 1.00 0.39 N ATOM 1113 CA ALA A 88 -2.465 -5.281 6.168 1.00 0.38 C ATOM 1114 C ALA A 88 -1.774 -6.633 6.120 1.00 0.39 C ATOM 1115 O ALA A 88 -2.404 -7.640 5.814 1.00 0.41 O ATOM 1116 CB ALA A 88 -2.127 -4.483 4.926 1.00 0.42 C ATOM 0 H ALA A 88 -1.582 -3.696 7.220 1.00 0.39 H new ATOM 0 HA ALA A 88 -3.544 -5.435 6.191 1.00 0.38 H new ATOM 0 HB1 ALA A 88 -2.412 -5.050 4.040 1.00 0.42 H new ATOM 0 HB2 ALA A 88 -2.670 -3.538 4.942 1.00 0.42 H new ATOM 0 HB3 ALA A 88 -1.055 -4.286 4.901 1.00 0.42 H new ATOM 1122 N ILE A 89 -0.477 -6.651 6.426 1.00 0.42 N ATOM 1123 CA ILE A 89 0.271 -7.904 6.506 1.00 0.47 C ATOM 1124 C ILE A 89 -0.290 -8.795 7.621 1.00 0.47 C ATOM 1125 O ILE A 89 -0.079 -10.006 7.639 1.00 0.59 O ATOM 1126 CB ILE A 89 1.780 -7.650 6.746 1.00 0.60 C ATOM 1127 CG1 ILE A 89 2.327 -6.669 5.704 1.00 0.73 C ATOM 1128 CG2 ILE A 89 2.557 -8.962 6.695 1.00 0.66 C ATOM 1129 CD1 ILE A 89 3.805 -6.374 5.854 1.00 1.15 C ATOM 0 H ILE A 89 0.075 -5.816 6.622 1.00 0.42 H new ATOM 0 HA ILE A 89 0.159 -8.413 5.549 1.00 0.47 H new ATOM 0 HB ILE A 89 1.903 -7.212 7.737 1.00 0.60 H new ATOM 0 HG12 ILE A 89 2.147 -7.074 4.708 1.00 0.73 H new ATOM 0 HG13 ILE A 89 1.771 -5.734 5.773 1.00 0.73 H new ATOM 0 HG21 ILE A 89 3.615 -8.765 6.866 1.00 0.66 H new ATOM 0 HG22 ILE A 89 2.184 -9.636 7.467 1.00 0.66 H new ATOM 0 HG23 ILE A 89 2.427 -9.424 5.716 1.00 0.66 H new ATOM 0 HD11 ILE A 89 4.116 -5.672 5.080 1.00 1.15 H new ATOM 0 HD12 ILE A 89 3.991 -5.938 6.836 1.00 1.15 H new ATOM 0 HD13 ILE A 89 4.373 -7.299 5.754 1.00 1.15 H new ATOM 1141 N GLU A 90 -1.000 -8.185 8.561 1.00 0.42 N ATOM 1142 CA GLU A 90 -1.702 -8.937 9.594 1.00 0.43 C ATOM 1143 C GLU A 90 -2.998 -9.541 9.048 1.00 0.40 C ATOM 1144 O GLU A 90 -3.382 -10.653 9.416 1.00 0.47 O ATOM 1145 CB GLU A 90 -2.004 -8.040 10.793 1.00 0.44 C ATOM 1146 CG GLU A 90 -0.763 -7.607 11.550 1.00 0.50 C ATOM 1147 CD GLU A 90 -0.029 -8.780 12.155 1.00 0.58 C ATOM 1148 OE1 GLU A 90 -0.568 -9.403 13.087 1.00 0.82 O ATOM 1149 OE2 GLU A 90 1.100 -9.078 11.718 1.00 0.73 O ATOM 0 H GLU A 90 -1.105 -7.173 8.630 1.00 0.42 H new ATOM 0 HA GLU A 90 -1.054 -9.752 9.917 1.00 0.43 H new ATOM 0 HB2 GLU A 90 -2.538 -7.154 10.449 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -2.670 -8.569 11.475 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -0.096 -7.071 10.875 1.00 0.50 H new ATOM 0 HG3 GLU A 90 -1.045 -6.910 12.339 1.00 0.50 H new ATOM 1156 N LEU A 91 -3.664 -8.799 8.173 1.00 0.38 N ATOM 1157 CA LEU A 91 -4.912 -9.246 7.563 1.00 0.39 C ATOM 1158 C LEU A 91 -4.637 -10.290 6.496 1.00 0.43 C ATOM 1159 O LEU A 91 -5.121 -11.418 6.558 1.00 0.51 O ATOM 1160 CB LEU A 91 -5.630 -8.074 6.913 1.00 0.36 C ATOM 1161 CG LEU A 91 -5.792 -6.835 7.781 1.00 0.37 C ATOM 1162 CD1 LEU A 91 -6.379 -5.720 6.951 1.00 0.39 C ATOM 1163 CD2 LEU A 91 -6.661 -7.119 8.996 1.00 0.45 C ATOM 0 H LEU A 91 -3.358 -7.876 7.867 1.00 0.38 H new ATOM 0 HA LEU A 91 -5.534 -9.675 8.348 1.00 0.39 H new ATOM 0 HB2 LEU A 91 -5.086 -7.794 6.011 1.00 0.36 H new ATOM 0 HB3 LEU A 91 -6.619 -8.407 6.599 1.00 0.36 H new ATOM 0 HG LEU A 91 -4.812 -6.534 8.150 1.00 0.37 H new ATOM 0 HD11 LEU A 91 -6.497 -4.830 7.569 1.00 0.39 H new ATOM 0 HD12 LEU A 91 -5.713 -5.497 6.117 1.00 0.39 H new ATOM 0 HD13 LEU A 91 -7.352 -6.026 6.566 1.00 0.39 H new ATOM 0 HD21 LEU A 91 -6.756 -6.213 9.595 1.00 0.45 H new ATOM 0 HD22 LEU A 91 -7.649 -7.444 8.669 1.00 0.45 H new ATOM 0 HD23 LEU A 91 -6.201 -7.904 9.596 1.00 0.45 H new ATOM 1175 N ASP A 92 -3.840 -9.891 5.529 1.00 0.46 N ATOM 1176 CA ASP A 92 -3.466 -10.740 4.429 1.00 0.53 C ATOM 1177 C ASP A 92 -1.967 -10.886 4.467 1.00 0.56 C ATOM 1178 O ASP A 92 -1.243 -10.096 3.860 1.00 0.82 O ATOM 1179 CB ASP A 92 -3.917 -10.164 3.079 1.00 0.66 C ATOM 1180 CG ASP A 92 -5.366 -10.462 2.738 1.00 1.77 C ATOM 1181 OD1 ASP A 92 -5.675 -11.630 2.420 1.00 2.32 O ATOM 1182 OD2 ASP A 92 -6.197 -9.524 2.753 1.00 2.34 O ATOM 0 H ASP A 92 -3.431 -8.957 5.488 1.00 0.46 H new ATOM 0 HA ASP A 92 -3.958 -11.708 4.529 1.00 0.53 H new ATOM 0 HB2 ASP A 92 -3.771 -9.084 3.088 1.00 0.66 H new ATOM 0 HB3 ASP A 92 -3.279 -10.565 2.292 1.00 0.66 H new ATOM 1187 N LYS A 93 -1.519 -11.867 5.234 1.00 0.48 N ATOM 1188 CA LYS A 93 -0.108 -12.039 5.522 1.00 0.50 C ATOM 1189 C LYS A 93 0.692 -12.048 4.238 1.00 0.55 C ATOM 1190 O LYS A 93 1.713 -11.374 4.143 1.00 0.64 O ATOM 1191 CB LYS A 93 0.102 -13.320 6.326 1.00 0.55 C ATOM 1192 CG LYS A 93 1.394 -13.355 7.141 1.00 0.73 C ATOM 1193 CD LYS A 93 2.637 -13.388 6.266 1.00 1.22 C ATOM 1194 CE LYS A 93 3.896 -13.112 7.071 1.00 1.76 C ATOM 1195 NZ LYS A 93 5.102 -13.034 6.206 1.00 2.61 N ATOM 0 H LYS A 93 -2.122 -12.563 5.672 1.00 0.48 H new ATOM 0 HA LYS A 93 0.246 -11.201 6.123 1.00 0.50 H new ATOM 0 HB2 LYS A 93 -0.742 -13.451 7.003 1.00 0.55 H new ATOM 0 HB3 LYS A 93 0.097 -14.168 5.641 1.00 0.55 H new ATOM 0 HG2 LYS A 93 1.434 -12.480 7.789 1.00 0.73 H new ATOM 0 HG3 LYS A 93 1.387 -14.232 7.789 1.00 0.73 H new ATOM 0 HD2 LYS A 93 2.718 -14.363 5.785 1.00 1.22 H new ATOM 0 HD3 LYS A 93 2.543 -12.648 5.471 1.00 1.22 H new ATOM 0 HE2 LYS A 93 3.780 -12.176 7.617 1.00 1.76 H new ATOM 0 HE3 LYS A 93 4.032 -13.899 7.813 1.00 1.76 H new ATOM 0 HZ1 LYS A 93 5.934 -12.811 6.789 1.00 2.61 H new ATOM 0 HZ2 LYS A 93 5.248 -13.947 5.730 1.00 2.61 H new ATOM 0 HZ3 LYS A 93 4.970 -12.289 5.492 1.00 2.61 H new ATOM 1209 N LYS A 94 0.240 -12.775 3.232 1.00 0.55 N ATOM 1210 CA LYS A 94 0.877 -12.628 1.953 1.00 0.61 C ATOM 1211 C LYS A 94 0.014 -11.762 1.060 1.00 0.60 C ATOM 1212 O LYS A 94 -0.955 -12.219 0.449 1.00 0.69 O ATOM 1213 CB LYS A 94 1.131 -13.988 1.302 1.00 0.76 C ATOM 1214 CG LYS A 94 2.033 -14.893 2.122 1.00 0.96 C ATOM 1215 CD LYS A 94 2.400 -16.159 1.366 1.00 1.17 C ATOM 1216 CE LYS A 94 3.249 -15.853 0.142 1.00 1.41 C ATOM 1217 NZ LYS A 94 3.650 -17.089 -0.579 1.00 2.11 N ATOM 0 H LYS A 94 -0.531 -13.442 3.276 1.00 0.55 H new ATOM 0 HA LYS A 94 1.845 -12.148 2.096 1.00 0.61 H new ATOM 0 HB2 LYS A 94 0.176 -14.489 1.141 1.00 0.76 H new ATOM 0 HB3 LYS A 94 1.579 -13.834 0.321 1.00 0.76 H new ATOM 0 HG2 LYS A 94 2.941 -14.354 2.391 1.00 0.96 H new ATOM 0 HG3 LYS A 94 1.532 -15.158 3.053 1.00 0.96 H new ATOM 0 HD2 LYS A 94 2.944 -16.834 2.027 1.00 1.17 H new ATOM 0 HD3 LYS A 94 1.491 -16.677 1.059 1.00 1.17 H new ATOM 0 HE2 LYS A 94 2.691 -15.204 -0.533 1.00 1.41 H new ATOM 0 HE3 LYS A 94 4.141 -15.305 0.447 1.00 1.41 H new ATOM 0 HZ1 LYS A 94 4.227 -16.836 -1.406 1.00 2.11 H new ATOM 0 HZ2 LYS A 94 4.204 -17.698 0.057 1.00 2.11 H new ATOM 0 HZ3 LYS A 94 2.800 -17.599 -0.893 1.00 2.11 H new ATOM 1231 N TYR A 95 0.366 -10.493 1.042 1.00 0.53 N ATOM 1232 CA TYR A 95 -0.060 -9.562 0.027 1.00 0.58 C ATOM 1233 C TYR A 95 1.109 -8.643 -0.239 1.00 0.55 C ATOM 1234 O TYR A 95 1.389 -7.753 0.562 1.00 0.55 O ATOM 1235 CB TYR A 95 -1.300 -8.772 0.452 1.00 0.63 C ATOM 1236 CG TYR A 95 -1.894 -7.955 -0.676 1.00 0.81 C ATOM 1237 CD1 TYR A 95 -1.995 -8.488 -1.956 1.00 0.99 C ATOM 1238 CD2 TYR A 95 -2.341 -6.655 -0.471 1.00 0.91 C ATOM 1239 CE1 TYR A 95 -2.525 -7.755 -2.997 1.00 1.19 C ATOM 1240 CE2 TYR A 95 -2.874 -5.914 -1.510 1.00 1.12 C ATOM 1241 CZ TYR A 95 -2.964 -6.471 -2.772 1.00 1.23 C ATOM 1242 OH TYR A 95 -3.485 -5.736 -3.812 1.00 1.46 O ATOM 0 H TYR A 95 0.970 -10.075 1.750 1.00 0.53 H new ATOM 0 HA TYR A 95 -0.351 -10.099 -0.876 1.00 0.58 H new ATOM 0 HB2 TYR A 95 -2.054 -9.464 0.829 1.00 0.63 H new ATOM 0 HB3 TYR A 95 -1.037 -8.108 1.275 1.00 0.63 H new ATOM 0 HD1 TYR A 95 -1.652 -9.496 -2.139 1.00 0.99 H new ATOM 0 HD2 TYR A 95 -2.271 -6.217 0.514 1.00 0.91 H new ATOM 0 HE1 TYR A 95 -2.595 -8.187 -3.984 1.00 1.19 H new ATOM 0 HE2 TYR A 95 -3.218 -4.905 -1.336 1.00 1.12 H new ATOM 0 HH TYR A 95 -3.750 -4.850 -3.486 1.00 1.46 H new ATOM 1252 N ILE A 96 1.812 -8.882 -1.324 1.00 0.56 N ATOM 1253 CA ILE A 96 3.063 -8.193 -1.590 1.00 0.55 C ATOM 1254 C ILE A 96 2.898 -6.671 -1.612 1.00 0.49 C ATOM 1255 O ILE A 96 3.802 -5.942 -1.197 1.00 0.45 O ATOM 1256 CB ILE A 96 3.689 -8.695 -2.902 1.00 0.64 C ATOM 1257 CG1 ILE A 96 4.098 -10.165 -2.760 1.00 0.87 C ATOM 1258 CG2 ILE A 96 4.882 -7.846 -3.304 1.00 0.59 C ATOM 1259 CD1 ILE A 96 5.010 -10.430 -1.578 1.00 0.83 C ATOM 0 H ILE A 96 1.539 -9.552 -2.043 1.00 0.56 H new ATOM 0 HA ILE A 96 3.739 -8.426 -0.767 1.00 0.55 H new ATOM 0 HB ILE A 96 2.941 -8.610 -3.691 1.00 0.64 H new ATOM 0 HG12 ILE A 96 3.200 -10.775 -2.660 1.00 0.87 H new ATOM 0 HG13 ILE A 96 4.599 -10.484 -3.674 1.00 0.87 H new ATOM 0 HG21 ILE A 96 5.302 -8.226 -4.235 1.00 0.59 H new ATOM 0 HG22 ILE A 96 4.563 -6.813 -3.445 1.00 0.59 H new ATOM 0 HG23 ILE A 96 5.639 -7.888 -2.521 1.00 0.59 H new ATOM 0 HD11 ILE A 96 5.258 -11.491 -1.540 1.00 0.83 H new ATOM 0 HD12 ILE A 96 5.925 -9.847 -1.686 1.00 0.83 H new ATOM 0 HD13 ILE A 96 4.504 -10.143 -0.656 1.00 0.83 H new ATOM 1271 N LYS A 97 1.745 -6.188 -2.068 1.00 0.54 N ATOM 1272 CA LYS A 97 1.472 -4.753 -2.026 1.00 0.55 C ATOM 1273 C LYS A 97 1.478 -4.244 -0.590 1.00 0.50 C ATOM 1274 O LYS A 97 1.906 -3.125 -0.332 1.00 0.51 O ATOM 1275 CB LYS A 97 0.136 -4.402 -2.676 1.00 0.71 C ATOM 1276 CG LYS A 97 0.085 -4.645 -4.172 1.00 1.28 C ATOM 1277 CD LYS A 97 -0.870 -3.671 -4.838 1.00 1.65 C ATOM 1278 CE LYS A 97 -1.214 -4.096 -6.253 1.00 1.73 C ATOM 1279 NZ LYS A 97 -2.093 -5.292 -6.265 1.00 1.59 N ATOM 0 H LYS A 97 0.997 -6.757 -2.464 1.00 0.54 H new ATOM 0 HA LYS A 97 2.267 -4.268 -2.593 1.00 0.55 H new ATOM 0 HB2 LYS A 97 -0.651 -4.985 -2.198 1.00 0.71 H new ATOM 0 HB3 LYS A 97 -0.084 -3.352 -2.483 1.00 0.71 H new ATOM 0 HG2 LYS A 97 1.082 -4.534 -4.598 1.00 1.28 H new ATOM 0 HG3 LYS A 97 -0.234 -5.668 -4.369 1.00 1.28 H new ATOM 0 HD2 LYS A 97 -1.784 -3.598 -4.248 1.00 1.65 H new ATOM 0 HD3 LYS A 97 -0.422 -2.678 -4.856 1.00 1.65 H new ATOM 0 HE2 LYS A 97 -1.709 -3.274 -6.770 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -0.297 -4.312 -6.802 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -2.803 -5.193 -7.018 1.00 1.59 H new ATOM 0 HZ2 LYS A 97 -1.520 -6.142 -6.439 1.00 1.59 H new ATOM 0 HZ3 LYS A 97 -2.573 -5.379 -5.346 1.00 1.59 H new ATOM 1293 N GLY A 98 1.033 -5.081 0.341 1.00 0.51 N ATOM 1294 CA GLY A 98 0.969 -4.680 1.736 1.00 0.52 C ATOM 1295 C GLY A 98 2.349 -4.418 2.294 1.00 0.43 C ATOM 1296 O GLY A 98 2.571 -3.443 3.015 1.00 0.48 O ATOM 0 H GLY A 98 0.715 -6.032 0.155 1.00 0.51 H new ATOM 0 HA2 GLY A 98 0.359 -3.782 1.831 1.00 0.52 H new ATOM 0 HA3 GLY A 98 0.480 -5.460 2.319 1.00 0.52 H new ATOM 1300 N TYR A 99 3.279 -5.288 1.930 1.00 0.35 N ATOM 1301 CA TYR A 99 4.683 -5.114 2.276 1.00 0.29 C ATOM 1302 C TYR A 99 5.218 -3.847 1.616 1.00 0.31 C ATOM 1303 O TYR A 99 5.921 -3.050 2.233 1.00 0.32 O ATOM 1304 CB TYR A 99 5.507 -6.308 1.785 1.00 0.30 C ATOM 1305 CG TYR A 99 5.201 -7.645 2.435 1.00 0.38 C ATOM 1306 CD1 TYR A 99 4.033 -8.347 2.148 1.00 0.98 C ATOM 1307 CD2 TYR A 99 6.121 -8.237 3.290 1.00 0.64 C ATOM 1308 CE1 TYR A 99 3.794 -9.588 2.693 1.00 1.11 C ATOM 1309 CE2 TYR A 99 5.883 -9.477 3.851 1.00 0.71 C ATOM 1310 CZ TYR A 99 4.720 -10.149 3.546 1.00 0.72 C ATOM 1311 OH TYR A 99 4.492 -11.396 4.087 1.00 0.92 O ATOM 0 H TYR A 99 3.084 -6.131 1.389 1.00 0.35 H new ATOM 0 HA TYR A 99 4.765 -5.039 3.360 1.00 0.29 H new ATOM 0 HB2 TYR A 99 5.359 -6.408 0.710 1.00 0.30 H new ATOM 0 HB3 TYR A 99 6.562 -6.084 1.942 1.00 0.30 H new ATOM 0 HD1 TYR A 99 3.301 -7.909 1.485 1.00 0.98 H new ATOM 0 HD2 TYR A 99 7.040 -7.718 3.521 1.00 0.64 H new ATOM 0 HE1 TYR A 99 2.885 -10.120 2.453 1.00 1.11 H new ATOM 0 HE2 TYR A 99 6.604 -9.916 4.524 1.00 0.71 H new ATOM 0 HH TYR A 99 3.540 -11.617 4.010 1.00 0.92 H new ATOM 1321 N TYR A 100 4.856 -3.679 0.349 1.00 0.34 N ATOM 1322 CA TYR A 100 5.297 -2.548 -0.461 1.00 0.37 C ATOM 1323 C TYR A 100 4.821 -1.226 0.147 1.00 0.39 C ATOM 1324 O TYR A 100 5.555 -0.237 0.149 1.00 0.42 O ATOM 1325 CB TYR A 100 4.756 -2.722 -1.887 1.00 0.42 C ATOM 1326 CG TYR A 100 5.417 -1.864 -2.948 1.00 0.43 C ATOM 1327 CD1 TYR A 100 4.930 -0.600 -3.249 1.00 0.51 C ATOM 1328 CD2 TYR A 100 6.506 -2.340 -3.677 1.00 0.46 C ATOM 1329 CE1 TYR A 100 5.508 0.171 -4.240 1.00 0.60 C ATOM 1330 CE2 TYR A 100 7.086 -1.577 -4.677 1.00 0.55 C ATOM 1331 CZ TYR A 100 6.581 -0.322 -4.951 1.00 0.60 C ATOM 1332 OH TYR A 100 7.139 0.435 -5.951 1.00 0.73 O ATOM 0 H TYR A 100 4.245 -4.327 -0.148 1.00 0.34 H new ATOM 0 HA TYR A 100 6.386 -2.520 -0.487 1.00 0.37 H new ATOM 0 HB2 TYR A 100 4.864 -3.768 -2.172 1.00 0.42 H new ATOM 0 HB3 TYR A 100 3.688 -2.502 -1.881 1.00 0.42 H new ATOM 0 HD1 TYR A 100 4.085 -0.212 -2.700 1.00 0.51 H new ATOM 0 HD2 TYR A 100 6.904 -3.320 -3.458 1.00 0.46 H new ATOM 0 HE1 TYR A 100 5.120 1.156 -4.456 1.00 0.60 H new ATOM 0 HE2 TYR A 100 7.926 -1.961 -5.237 1.00 0.55 H new ATOM 0 HH TYR A 100 7.188 -0.095 -6.774 1.00 0.73 H new ATOM 1342 N ARG A 101 3.594 -1.215 0.671 1.00 0.41 N ATOM 1343 CA ARG A 101 3.051 -0.027 1.334 1.00 0.46 C ATOM 1344 C ARG A 101 3.838 0.264 2.602 1.00 0.43 C ATOM 1345 O ARG A 101 4.212 1.406 2.872 1.00 0.46 O ATOM 1346 CB ARG A 101 1.577 -0.215 1.711 1.00 0.53 C ATOM 1347 CG ARG A 101 0.678 -0.648 0.569 1.00 0.82 C ATOM 1348 CD ARG A 101 0.673 0.348 -0.576 1.00 1.06 C ATOM 1349 NE ARG A 101 -0.252 -0.063 -1.627 1.00 1.18 N ATOM 1350 CZ ARG A 101 -0.255 0.422 -2.865 1.00 1.58 C ATOM 1351 NH1 ARG A 101 0.636 1.335 -3.240 1.00 2.34 N ATOM 1352 NH2 ARG A 101 -1.147 -0.023 -3.730 1.00 1.89 N ATOM 0 H ARG A 101 2.959 -2.013 0.650 1.00 0.41 H new ATOM 0 HA ARG A 101 3.133 0.803 0.632 1.00 0.46 H new ATOM 0 HB2 ARG A 101 1.512 -0.957 2.507 1.00 0.53 H new ATOM 0 HB3 ARG A 101 1.198 0.723 2.117 1.00 0.53 H new ATOM 0 HG2 ARG A 101 1.007 -1.619 0.200 1.00 0.82 H new ATOM 0 HG3 ARG A 101 -0.339 -0.776 0.940 1.00 0.82 H new ATOM 0 HD2 ARG A 101 0.391 1.333 -0.204 1.00 1.06 H new ATOM 0 HD3 ARG A 101 1.678 0.439 -0.987 1.00 1.06 H new ATOM 0 HE ARG A 101 -0.946 -0.773 -1.395 1.00 1.18 H new ATOM 0 HH11 ARG A 101 1.332 1.671 -2.575 1.00 2.34 H new ATOM 0 HH12 ARG A 101 0.623 1.699 -4.193 1.00 2.34 H new ATOM 0 HH21 ARG A 101 -1.824 -0.731 -3.446 1.00 1.89 H new ATOM 0 HH22 ARG A 101 -1.159 0.341 -4.683 1.00 1.89 H new ATOM 1366 N ARG A 102 4.080 -0.788 3.374 1.00 0.41 N ATOM 1367 CA ARG A 102 4.816 -0.683 4.625 1.00 0.43 C ATOM 1368 C ARG A 102 6.210 -0.134 4.356 1.00 0.37 C ATOM 1369 O ARG A 102 6.661 0.813 5.006 1.00 0.38 O ATOM 1370 CB ARG A 102 4.900 -2.058 5.288 1.00 0.52 C ATOM 1371 CG ARG A 102 5.364 -2.029 6.733 1.00 0.87 C ATOM 1372 CD ARG A 102 5.433 -3.430 7.305 1.00 1.12 C ATOM 1373 NE ARG A 102 5.703 -3.440 8.742 1.00 1.87 N ATOM 1374 CZ ARG A 102 6.660 -4.172 9.311 1.00 2.58 C ATOM 1375 NH1 ARG A 102 7.505 -4.864 8.554 1.00 2.78 N ATOM 1376 NH2 ARG A 102 6.782 -4.194 10.635 1.00 3.57 N ATOM 0 H ARG A 102 3.772 -1.734 3.151 1.00 0.41 H new ATOM 0 HA ARG A 102 4.297 -0.001 5.298 1.00 0.43 H new ATOM 0 HB2 ARG A 102 3.919 -2.530 5.243 1.00 0.52 H new ATOM 0 HB3 ARG A 102 5.582 -2.685 4.713 1.00 0.52 H new ATOM 0 HG2 ARG A 102 6.345 -1.557 6.795 1.00 0.87 H new ATOM 0 HG3 ARG A 102 4.680 -1.422 7.327 1.00 0.87 H new ATOM 0 HD2 ARG A 102 4.491 -3.943 7.113 1.00 1.12 H new ATOM 0 HD3 ARG A 102 6.212 -3.991 6.789 1.00 1.12 H new ATOM 0 HE ARG A 102 5.125 -2.853 9.344 1.00 1.87 H new ATOM 0 HH11 ARG A 102 7.421 -4.835 7.538 1.00 2.78 H new ATOM 0 HH12 ARG A 102 8.238 -5.424 8.989 1.00 2.78 H new ATOM 0 HH21 ARG A 102 6.143 -3.650 11.215 1.00 3.57 H new ATOM 0 HH22 ARG A 102 7.515 -4.754 11.070 1.00 3.57 H new ATOM 1390 N ALA A 103 6.867 -0.720 3.363 1.00 0.34 N ATOM 1391 CA ALA A 103 8.179 -0.274 2.928 1.00 0.32 C ATOM 1392 C ALA A 103 8.150 1.195 2.506 1.00 0.33 C ATOM 1393 O ALA A 103 9.052 1.964 2.831 1.00 0.35 O ATOM 1394 CB ALA A 103 8.661 -1.140 1.778 1.00 0.33 C ATOM 0 H ALA A 103 6.504 -1.516 2.839 1.00 0.34 H new ATOM 0 HA ALA A 103 8.869 -0.369 3.766 1.00 0.32 H new ATOM 0 HB1 ALA A 103 9.646 -0.801 1.455 1.00 0.33 H new ATOM 0 HB2 ALA A 103 8.723 -2.178 2.105 1.00 0.33 H new ATOM 0 HB3 ALA A 103 7.960 -1.063 0.946 1.00 0.33 H new ATOM 1400 N ALA A 104 7.089 1.585 1.808 1.00 0.33 N ATOM 1401 CA ALA A 104 6.969 2.937 1.282 1.00 0.35 C ATOM 1402 C ALA A 104 6.758 3.937 2.407 1.00 0.35 C ATOM 1403 O ALA A 104 7.144 5.101 2.298 1.00 0.38 O ATOM 1404 CB ALA A 104 5.832 3.022 0.275 1.00 0.39 C ATOM 0 H ALA A 104 6.297 0.979 1.593 1.00 0.33 H new ATOM 0 HA ALA A 104 7.900 3.186 0.773 1.00 0.35 H new ATOM 0 HB1 ALA A 104 5.759 4.041 -0.106 1.00 0.39 H new ATOM 0 HB2 ALA A 104 6.026 2.338 -0.551 1.00 0.39 H new ATOM 0 HB3 ALA A 104 4.895 2.748 0.760 1.00 0.39 H new ATOM 1410 N SER A 105 6.155 3.475 3.492 1.00 0.34 N ATOM 1411 CA SER A 105 5.916 4.332 4.636 1.00 0.36 C ATOM 1412 C SER A 105 7.216 4.547 5.404 1.00 0.34 C ATOM 1413 O SER A 105 7.541 5.669 5.783 1.00 0.33 O ATOM 1414 CB SER A 105 4.842 3.729 5.540 1.00 0.40 C ATOM 1415 OG SER A 105 3.724 3.297 4.780 1.00 0.64 O ATOM 0 H SER A 105 5.825 2.516 3.601 1.00 0.34 H new ATOM 0 HA SER A 105 5.556 5.299 4.286 1.00 0.36 H new ATOM 0 HB2 SER A 105 5.258 2.887 6.093 1.00 0.40 H new ATOM 0 HB3 SER A 105 4.523 4.468 6.275 1.00 0.40 H new ATOM 0 HG SER A 105 3.980 2.527 4.231 1.00 0.64 H new ATOM 1421 N ASN A 106 7.974 3.470 5.601 1.00 0.36 N ATOM 1422 CA ASN A 106 9.278 3.561 6.256 1.00 0.37 C ATOM 1423 C ASN A 106 10.223 4.423 5.431 1.00 0.36 C ATOM 1424 O ASN A 106 10.969 5.242 5.973 1.00 0.37 O ATOM 1425 CB ASN A 106 9.891 2.172 6.452 1.00 0.40 C ATOM 1426 CG ASN A 106 9.188 1.349 7.514 1.00 0.43 C ATOM 1427 OD1 ASN A 106 8.625 2.011 8.512 1.00 1.09 O flip ATOM 1428 ND2 ASN A 106 9.159 0.124 7.446 1.00 1.32 N flip ATOM 0 H ASN A 106 7.709 2.527 5.318 1.00 0.36 H new ATOM 0 HA ASN A 106 9.131 4.019 7.234 1.00 0.37 H new ATOM 0 HB2 ASN A 106 9.861 1.633 5.505 1.00 0.40 H new ATOM 0 HB3 ASN A 106 10.941 2.281 6.723 1.00 0.40 H new ATOM 0 HD21 ASN A 106 9.604 -0.354 6.662 1.00 1.32 H new ATOM 0 HD22 ASN A 106 8.690 -0.416 8.173 1.00 1.32 H new ATOM 1435 N MET A 107 10.164 4.236 4.118 1.00 0.38 N ATOM 1436 CA MET A 107 10.984 4.990 3.181 1.00 0.40 C ATOM 1437 C MET A 107 10.655 6.477 3.267 1.00 0.40 C ATOM 1438 O MET A 107 11.542 7.328 3.242 1.00 0.45 O ATOM 1439 CB MET A 107 10.732 4.477 1.760 1.00 0.46 C ATOM 1440 CG MET A 107 11.987 4.312 0.922 1.00 0.44 C ATOM 1441 SD MET A 107 12.747 5.878 0.465 1.00 1.26 S ATOM 1442 CE MET A 107 14.167 5.279 -0.443 1.00 0.70 C ATOM 0 H MET A 107 9.546 3.557 3.674 1.00 0.38 H new ATOM 0 HA MET A 107 12.035 4.854 3.435 1.00 0.40 H new ATOM 0 HB2 MET A 107 10.220 3.517 1.819 1.00 0.46 H new ATOM 0 HB3 MET A 107 10.058 5.167 1.252 1.00 0.46 H new ATOM 0 HG2 MET A 107 12.710 3.713 1.476 1.00 0.44 H new ATOM 0 HG3 MET A 107 11.741 3.757 0.017 1.00 0.44 H new ATOM 0 HE1 MET A 107 15.079 5.539 0.095 1.00 0.70 H new ATOM 0 HE2 MET A 107 14.102 4.196 -0.546 1.00 0.70 H new ATOM 0 HE3 MET A 107 14.186 5.737 -1.432 1.00 0.70 H new ATOM 1452 N ALA A 108 9.366 6.774 3.386 1.00 0.36 N ATOM 1453 CA ALA A 108 8.901 8.148 3.499 1.00 0.38 C ATOM 1454 C ALA A 108 9.268 8.737 4.859 1.00 0.39 C ATOM 1455 O ALA A 108 9.598 9.921 4.968 1.00 0.43 O ATOM 1456 CB ALA A 108 7.399 8.203 3.277 1.00 0.38 C ATOM 0 H ALA A 108 8.622 6.076 3.407 1.00 0.36 H new ATOM 0 HA ALA A 108 9.393 8.748 2.733 1.00 0.38 H new ATOM 0 HB1 ALA A 108 7.056 9.234 3.363 1.00 0.38 H new ATOM 0 HB2 ALA A 108 7.164 7.824 2.282 1.00 0.38 H new ATOM 0 HB3 ALA A 108 6.898 7.590 4.026 1.00 0.38 H new ATOM 1462 N LEU A 109 9.215 7.904 5.894 1.00 0.38 N ATOM 1463 CA LEU A 109 9.565 8.334 7.244 1.00 0.40 C ATOM 1464 C LEU A 109 11.051 8.659 7.346 1.00 0.43 C ATOM 1465 O LEU A 109 11.434 9.638 7.983 1.00 0.65 O ATOM 1466 CB LEU A 109 9.196 7.259 8.273 1.00 0.38 C ATOM 1467 CG LEU A 109 7.696 7.013 8.457 1.00 0.48 C ATOM 1468 CD1 LEU A 109 7.461 5.870 9.433 1.00 0.75 C ATOM 1469 CD2 LEU A 109 7.000 8.278 8.938 1.00 0.82 C ATOM 0 H LEU A 109 8.933 6.926 5.824 1.00 0.38 H new ATOM 0 HA LEU A 109 8.995 9.237 7.460 1.00 0.40 H new ATOM 0 HB2 LEU A 109 9.667 6.321 7.978 1.00 0.38 H new ATOM 0 HB3 LEU A 109 9.622 7.541 9.236 1.00 0.38 H new ATOM 0 HG LEU A 109 7.272 6.736 7.492 1.00 0.48 H new ATOM 0 HD11 LEU A 109 6.390 5.708 9.553 1.00 0.75 H new ATOM 0 HD12 LEU A 109 7.925 4.962 9.048 1.00 0.75 H new ATOM 0 HD13 LEU A 109 7.900 6.120 10.399 1.00 0.75 H new ATOM 0 HD21 LEU A 109 5.935 8.082 9.063 1.00 0.82 H new ATOM 0 HD22 LEU A 109 7.426 8.587 9.892 1.00 0.82 H new ATOM 0 HD23 LEU A 109 7.140 9.072 8.204 1.00 0.82 H new ATOM 1481 N GLY A 110 11.882 7.835 6.722 1.00 0.39 N ATOM 1482 CA GLY A 110 13.314 8.071 6.747 1.00 0.41 C ATOM 1483 C GLY A 110 14.095 6.846 7.172 1.00 0.39 C ATOM 1484 O GLY A 110 15.323 6.818 7.087 1.00 0.47 O ATOM 0 H GLY A 110 11.592 7.008 6.199 1.00 0.39 H new ATOM 0 HA2 GLY A 110 13.645 8.384 5.757 1.00 0.41 H new ATOM 0 HA3 GLY A 110 13.532 8.892 7.430 1.00 0.41 H new ATOM 1488 N LYS A 111 13.383 5.827 7.630 1.00 0.36 N ATOM 1489 CA LYS A 111 14.011 4.576 8.026 1.00 0.38 C ATOM 1490 C LYS A 111 14.167 3.665 6.812 1.00 0.30 C ATOM 1491 O LYS A 111 13.338 2.789 6.552 1.00 0.32 O ATOM 1492 CB LYS A 111 13.219 3.894 9.151 1.00 0.53 C ATOM 1493 CG LYS A 111 11.709 4.010 9.009 1.00 0.74 C ATOM 1494 CD LYS A 111 10.983 3.358 10.176 1.00 0.54 C ATOM 1495 CE LYS A 111 11.376 3.981 11.508 1.00 1.22 C ATOM 1496 NZ LYS A 111 10.579 3.423 12.631 1.00 1.73 N ATOM 0 H LYS A 111 12.369 5.842 7.737 1.00 0.36 H new ATOM 0 HA LYS A 111 15.005 4.789 8.420 1.00 0.38 H new ATOM 0 HB2 LYS A 111 13.490 2.839 9.183 1.00 0.53 H new ATOM 0 HB3 LYS A 111 13.517 4.328 10.105 1.00 0.53 H new ATOM 0 HG2 LYS A 111 11.429 5.062 8.948 1.00 0.74 H new ATOM 0 HG3 LYS A 111 11.394 3.541 8.077 1.00 0.74 H new ATOM 0 HD2 LYS A 111 9.907 3.454 10.034 1.00 0.54 H new ATOM 0 HD3 LYS A 111 11.208 2.292 10.193 1.00 0.54 H new ATOM 0 HE2 LYS A 111 12.436 3.807 11.692 1.00 1.22 H new ATOM 0 HE3 LYS A 111 11.233 5.061 11.461 1.00 1.22 H new ATOM 0 HZ1 LYS A 111 10.874 3.871 13.522 1.00 1.73 H new ATOM 0 HZ2 LYS A 111 9.569 3.611 12.467 1.00 1.73 H new ATOM 0 HZ3 LYS A 111 10.735 2.397 12.691 1.00 1.73 H new ATOM 1510 N PHE A 112 15.232 3.909 6.060 1.00 0.30 N ATOM 1511 CA PHE A 112 15.447 3.251 4.781 1.00 0.29 C ATOM 1512 C PHE A 112 15.796 1.779 4.941 1.00 0.30 C ATOM 1513 O PHE A 112 15.429 0.966 4.103 1.00 0.34 O ATOM 1514 CB PHE A 112 16.549 3.967 4.001 1.00 0.35 C ATOM 1515 CG PHE A 112 16.309 5.442 3.869 1.00 0.39 C ATOM 1516 CD1 PHE A 112 15.210 5.920 3.173 1.00 0.41 C ATOM 1517 CD2 PHE A 112 17.173 6.350 4.458 1.00 0.48 C ATOM 1518 CE1 PHE A 112 14.981 7.277 3.066 1.00 0.48 C ATOM 1519 CE2 PHE A 112 16.947 7.708 4.354 1.00 0.54 C ATOM 1520 CZ PHE A 112 15.850 8.171 3.658 1.00 0.53 C ATOM 0 H PHE A 112 15.968 4.566 6.319 1.00 0.30 H new ATOM 0 HA PHE A 112 14.510 3.305 4.227 1.00 0.29 H new ATOM 0 HB2 PHE A 112 17.505 3.803 4.499 1.00 0.35 H new ATOM 0 HB3 PHE A 112 16.628 3.527 3.007 1.00 0.35 H new ATOM 0 HD1 PHE A 112 14.526 5.224 2.710 1.00 0.41 H new ATOM 0 HD2 PHE A 112 18.033 5.992 5.005 1.00 0.48 H new ATOM 0 HE1 PHE A 112 14.123 7.639 2.520 1.00 0.48 H new ATOM 0 HE2 PHE A 112 17.628 8.407 4.817 1.00 0.54 H new ATOM 0 HZ PHE A 112 15.671 9.233 3.576 1.00 0.53 H new ATOM 1530 N ARG A 113 16.504 1.426 6.004 1.00 0.34 N ATOM 1531 CA ARG A 113 16.867 0.030 6.220 1.00 0.38 C ATOM 1532 C ARG A 113 15.640 -0.798 6.574 1.00 0.34 C ATOM 1533 O ARG A 113 15.505 -1.938 6.137 1.00 0.34 O ATOM 1534 CB ARG A 113 17.930 -0.104 7.303 1.00 0.49 C ATOM 1535 CG ARG A 113 19.274 0.471 6.888 1.00 1.21 C ATOM 1536 CD ARG A 113 20.335 0.268 7.957 1.00 1.58 C ATOM 1537 NE ARG A 113 21.666 0.642 7.478 1.00 2.42 N ATOM 1538 CZ ARG A 113 22.578 1.280 8.213 1.00 3.14 C ATOM 1539 NH1 ARG A 113 22.310 1.604 9.474 1.00 3.25 N ATOM 1540 NH2 ARG A 113 23.760 1.576 7.689 1.00 4.15 N ATOM 0 H ARG A 113 16.835 2.073 6.720 1.00 0.34 H new ATOM 0 HA ARG A 113 17.285 -0.351 5.288 1.00 0.38 H new ATOM 0 HB2 ARG A 113 17.587 0.402 8.206 1.00 0.49 H new ATOM 0 HB3 ARG A 113 18.054 -1.157 7.555 1.00 0.49 H new ATOM 0 HG2 ARG A 113 19.599 -0.000 5.961 1.00 1.21 H new ATOM 0 HG3 ARG A 113 19.165 1.536 6.683 1.00 1.21 H new ATOM 0 HD2 ARG A 113 20.084 0.862 8.836 1.00 1.58 H new ATOM 0 HD3 ARG A 113 20.341 -0.776 8.270 1.00 1.58 H new ATOM 0 HE ARG A 113 21.913 0.399 6.519 1.00 2.42 H new ATOM 0 HH11 ARG A 113 21.406 1.365 9.881 1.00 3.25 H new ATOM 0 HH12 ARG A 113 23.009 2.092 10.035 1.00 3.25 H new ATOM 0 HH21 ARG A 113 23.970 1.316 6.725 1.00 4.15 H new ATOM 0 HH22 ARG A 113 24.459 2.064 8.250 1.00 4.15 H new ATOM 1554 N ALA A 114 14.742 -0.218 7.357 1.00 0.34 N ATOM 1555 CA ALA A 114 13.489 -0.880 7.681 1.00 0.34 C ATOM 1556 C ALA A 114 12.651 -1.053 6.419 1.00 0.28 C ATOM 1557 O ALA A 114 12.097 -2.131 6.156 1.00 0.30 O ATOM 1558 CB ALA A 114 12.723 -0.091 8.732 1.00 0.40 C ATOM 0 H ALA A 114 14.857 0.704 7.777 1.00 0.34 H new ATOM 0 HA ALA A 114 13.708 -1.865 8.093 1.00 0.34 H new ATOM 0 HB1 ALA A 114 11.788 -0.602 8.961 1.00 0.40 H new ATOM 0 HB2 ALA A 114 13.325 -0.012 9.637 1.00 0.40 H new ATOM 0 HB3 ALA A 114 12.507 0.907 8.351 1.00 0.40 H new ATOM 1564 N ALA A 115 12.598 0.008 5.622 1.00 0.26 N ATOM 1565 CA ALA A 115 11.890 -0.015 4.354 1.00 0.23 C ATOM 1566 C ALA A 115 12.518 -1.038 3.428 1.00 0.23 C ATOM 1567 O ALA A 115 11.831 -1.738 2.687 1.00 0.25 O ATOM 1568 CB ALA A 115 11.926 1.359 3.712 1.00 0.23 C ATOM 0 H ALA A 115 13.042 0.901 5.837 1.00 0.26 H new ATOM 0 HA ALA A 115 10.851 -0.292 4.535 1.00 0.23 H new ATOM 0 HB1 ALA A 115 11.392 1.331 2.762 1.00 0.23 H new ATOM 0 HB2 ALA A 115 11.450 2.083 4.374 1.00 0.23 H new ATOM 0 HB3 ALA A 115 12.961 1.652 3.538 1.00 0.23 H new ATOM 1574 N LEU A 116 13.836 -1.127 3.497 1.00 0.24 N ATOM 1575 CA LEU A 116 14.581 -2.051 2.672 1.00 0.28 C ATOM 1576 C LEU A 116 14.267 -3.489 3.047 1.00 0.29 C ATOM 1577 O LEU A 116 14.303 -4.361 2.200 1.00 0.30 O ATOM 1578 CB LEU A 116 16.080 -1.808 2.797 1.00 0.32 C ATOM 1579 CG LEU A 116 16.931 -2.620 1.825 1.00 0.40 C ATOM 1580 CD1 LEU A 116 16.586 -2.243 0.396 1.00 0.47 C ATOM 1581 CD2 LEU A 116 18.409 -2.413 2.098 1.00 0.49 C ATOM 0 H LEU A 116 14.412 -0.564 4.123 1.00 0.24 H new ATOM 0 HA LEU A 116 14.280 -1.881 1.638 1.00 0.28 H new ATOM 0 HB2 LEU A 116 16.279 -0.748 2.638 1.00 0.32 H new ATOM 0 HB3 LEU A 116 16.390 -2.041 3.816 1.00 0.32 H new ATOM 0 HG LEU A 116 16.713 -3.678 1.969 1.00 0.40 H new ATOM 0 HD11 LEU A 116 17.198 -2.827 -0.292 1.00 0.47 H new ATOM 0 HD12 LEU A 116 15.532 -2.450 0.210 1.00 0.47 H new ATOM 0 HD13 LEU A 116 16.780 -1.181 0.243 1.00 0.47 H new ATOM 0 HD21 LEU A 116 18.995 -3.002 1.393 1.00 0.49 H new ATOM 0 HD22 LEU A 116 18.656 -1.358 1.983 1.00 0.49 H new ATOM 0 HD23 LEU A 116 18.639 -2.731 3.115 1.00 0.49 H new ATOM 1593 N ARG A 117 13.955 -3.731 4.313 1.00 0.34 N ATOM 1594 CA ARG A 117 13.588 -5.072 4.754 1.00 0.40 C ATOM 1595 C ARG A 117 12.319 -5.507 4.049 1.00 0.34 C ATOM 1596 O ARG A 117 12.206 -6.640 3.569 1.00 0.35 O ATOM 1597 CB ARG A 117 13.350 -5.114 6.262 1.00 0.57 C ATOM 1598 CG ARG A 117 14.577 -4.835 7.110 1.00 0.70 C ATOM 1599 CD ARG A 117 14.204 -4.805 8.583 1.00 1.01 C ATOM 1600 NE ARG A 117 15.359 -4.650 9.461 1.00 1.90 N ATOM 1601 CZ ARG A 117 15.311 -4.850 10.779 1.00 2.55 C ATOM 1602 NH1 ARG A 117 14.166 -5.204 11.358 1.00 2.45 N ATOM 1603 NH2 ARG A 117 16.400 -4.702 11.520 1.00 3.56 N ATOM 0 H ARG A 117 13.948 -3.024 5.048 1.00 0.34 H new ATOM 0 HA ARG A 117 14.411 -5.743 4.510 1.00 0.40 H new ATOM 0 HB2 ARG A 117 12.579 -4.386 6.514 1.00 0.57 H new ATOM 0 HB3 ARG A 117 12.959 -6.097 6.526 1.00 0.57 H new ATOM 0 HG2 ARG A 117 15.331 -5.602 6.934 1.00 0.70 H new ATOM 0 HG3 ARG A 117 15.019 -3.882 6.820 1.00 0.70 H new ATOM 0 HD2 ARG A 117 13.508 -3.985 8.759 1.00 1.01 H new ATOM 0 HD3 ARG A 117 13.681 -5.727 8.839 1.00 1.01 H new ATOM 0 HE ARG A 117 16.249 -4.375 9.046 1.00 1.90 H new ATOM 0 HH11 ARG A 117 13.325 -5.323 10.794 1.00 2.45 H new ATOM 0 HH12 ARG A 117 14.130 -5.357 12.366 1.00 2.45 H new ATOM 0 HH21 ARG A 117 17.282 -4.434 11.083 1.00 3.56 H new ATOM 0 HH22 ARG A 117 16.356 -4.856 12.527 1.00 3.56 H new ATOM 1617 N ASP A 118 11.369 -4.590 3.986 1.00 0.33 N ATOM 1618 CA ASP A 118 10.091 -4.868 3.354 1.00 0.33 C ATOM 1619 C ASP A 118 10.223 -4.908 1.835 1.00 0.28 C ATOM 1620 O ASP A 118 9.681 -5.805 1.188 1.00 0.31 O ATOM 1621 CB ASP A 118 9.040 -3.858 3.804 1.00 0.40 C ATOM 1622 CG ASP A 118 8.447 -4.230 5.151 1.00 0.63 C ATOM 1623 OD1 ASP A 118 9.165 -4.143 6.170 1.00 1.06 O ATOM 1624 OD2 ASP A 118 7.278 -4.654 5.198 1.00 0.77 O ATOM 0 H ASP A 118 11.458 -3.647 4.365 1.00 0.33 H new ATOM 0 HA ASP A 118 9.759 -5.857 3.672 1.00 0.33 H new ATOM 0 HB2 ASP A 118 9.490 -2.867 3.865 1.00 0.40 H new ATOM 0 HB3 ASP A 118 8.246 -3.802 3.059 1.00 0.40 H new ATOM 1629 N TYR A 119 10.968 -3.961 1.269 1.00 0.24 N ATOM 1630 CA TYR A 119 11.240 -3.961 -0.170 1.00 0.26 C ATOM 1631 C TYR A 119 12.019 -5.207 -0.578 1.00 0.28 C ATOM 1632 O TYR A 119 11.767 -5.791 -1.634 1.00 0.33 O ATOM 1633 CB TYR A 119 12.021 -2.711 -0.585 1.00 0.28 C ATOM 1634 CG TYR A 119 11.161 -1.482 -0.771 1.00 0.33 C ATOM 1635 CD1 TYR A 119 9.980 -1.546 -1.500 1.00 0.38 C ATOM 1636 CD2 TYR A 119 11.531 -0.260 -0.226 1.00 0.38 C ATOM 1637 CE1 TYR A 119 9.190 -0.426 -1.678 1.00 0.46 C ATOM 1638 CE2 TYR A 119 10.748 0.866 -0.402 1.00 0.47 C ATOM 1639 CZ TYR A 119 9.578 0.777 -1.129 1.00 0.50 C ATOM 1640 OH TYR A 119 8.796 1.895 -1.310 1.00 0.60 O ATOM 0 H TYR A 119 11.393 -3.187 1.780 1.00 0.24 H new ATOM 0 HA TYR A 119 10.278 -3.960 -0.682 1.00 0.26 H new ATOM 0 HB2 TYR A 119 12.778 -2.501 0.170 1.00 0.28 H new ATOM 0 HB3 TYR A 119 12.548 -2.917 -1.516 1.00 0.28 H new ATOM 0 HD1 TYR A 119 9.674 -2.486 -1.935 1.00 0.38 H new ATOM 0 HD2 TYR A 119 12.445 -0.188 0.345 1.00 0.38 H new ATOM 0 HE1 TYR A 119 8.273 -0.493 -2.245 1.00 0.46 H new ATOM 0 HE2 TYR A 119 11.050 1.810 0.027 1.00 0.47 H new ATOM 0 HH TYR A 119 7.910 1.626 -1.631 1.00 0.60 H new ATOM 1650 N GLU A 120 12.962 -5.605 0.268 1.00 0.28 N ATOM 1651 CA GLU A 120 13.772 -6.791 0.026 1.00 0.34 C ATOM 1652 C GLU A 120 12.883 -8.009 -0.073 1.00 0.37 C ATOM 1653 O GLU A 120 12.998 -8.802 -0.996 1.00 0.43 O ATOM 1654 CB GLU A 120 14.779 -6.996 1.158 1.00 0.36 C ATOM 1655 CG GLU A 120 15.917 -7.936 0.800 1.00 0.42 C ATOM 1656 CD GLU A 120 16.754 -8.323 1.999 1.00 0.48 C ATOM 1657 OE1 GLU A 120 16.323 -9.210 2.769 1.00 0.61 O ATOM 1658 OE2 GLU A 120 17.849 -7.754 2.176 1.00 0.58 O ATOM 0 H GLU A 120 13.185 -5.118 1.136 1.00 0.28 H new ATOM 0 HA GLU A 120 14.313 -6.651 -0.910 1.00 0.34 H new ATOM 0 HB2 GLU A 120 15.194 -6.029 1.443 1.00 0.36 H new ATOM 0 HB3 GLU A 120 14.257 -7.388 2.031 1.00 0.36 H new ATOM 0 HG2 GLU A 120 15.508 -8.836 0.342 1.00 0.42 H new ATOM 0 HG3 GLU A 120 16.555 -7.460 0.055 1.00 0.42 H new ATOM 1665 N THR A 121 11.987 -8.142 0.887 1.00 0.36 N ATOM 1666 CA THR A 121 11.070 -9.260 0.913 1.00 0.40 C ATOM 1667 C THR A 121 10.212 -9.285 -0.353 1.00 0.40 C ATOM 1668 O THR A 121 9.998 -10.342 -0.948 1.00 0.45 O ATOM 1669 CB THR A 121 10.177 -9.201 2.160 1.00 0.41 C ATOM 1670 OG1 THR A 121 10.996 -9.130 3.339 1.00 0.43 O ATOM 1671 CG2 THR A 121 9.275 -10.423 2.235 1.00 0.47 C ATOM 0 H THR A 121 11.877 -7.486 1.660 1.00 0.36 H new ATOM 0 HA THR A 121 11.657 -10.178 0.951 1.00 0.40 H new ATOM 0 HB THR A 121 9.550 -8.312 2.096 1.00 0.41 H new ATOM 0 HG1 THR A 121 11.374 -8.229 3.421 1.00 0.43 H new ATOM 0 HG21 THR A 121 8.651 -10.360 3.126 1.00 0.47 H new ATOM 0 HG22 THR A 121 8.640 -10.462 1.350 1.00 0.47 H new ATOM 0 HG23 THR A 121 9.886 -11.324 2.283 1.00 0.47 H new ATOM 1679 N VAL A 122 9.751 -8.108 -0.774 1.00 0.37 N ATOM 1680 CA VAL A 122 8.987 -7.980 -2.011 1.00 0.39 C ATOM 1681 C VAL A 122 9.777 -8.529 -3.196 1.00 0.44 C ATOM 1682 O VAL A 122 9.272 -9.346 -3.970 1.00 0.50 O ATOM 1683 CB VAL A 122 8.612 -6.506 -2.300 1.00 0.38 C ATOM 1684 CG1 VAL A 122 7.926 -6.371 -3.653 1.00 0.43 C ATOM 1685 CG2 VAL A 122 7.717 -5.954 -1.200 1.00 0.36 C ATOM 0 H VAL A 122 9.894 -7.230 -0.275 1.00 0.37 H new ATOM 0 HA VAL A 122 8.072 -8.558 -1.879 1.00 0.39 H new ATOM 0 HB VAL A 122 9.535 -5.926 -2.324 1.00 0.38 H new ATOM 0 HG11 VAL A 122 7.674 -5.326 -3.830 1.00 0.43 H new ATOM 0 HG12 VAL A 122 8.597 -6.720 -4.438 1.00 0.43 H new ATOM 0 HG13 VAL A 122 7.016 -6.970 -3.661 1.00 0.43 H new ATOM 0 HG21 VAL A 122 7.465 -4.917 -1.422 1.00 0.36 H new ATOM 0 HG22 VAL A 122 6.803 -6.545 -1.143 1.00 0.36 H new ATOM 0 HG23 VAL A 122 8.241 -6.004 -0.245 1.00 0.36 H new ATOM 1695 N VAL A 123 11.027 -8.100 -3.316 1.00 0.44 N ATOM 1696 CA VAL A 123 11.856 -8.478 -4.451 1.00 0.51 C ATOM 1697 C VAL A 123 12.371 -9.913 -4.304 1.00 0.57 C ATOM 1698 O VAL A 123 12.910 -10.486 -5.242 1.00 0.67 O ATOM 1699 CB VAL A 123 13.043 -7.499 -4.629 1.00 0.50 C ATOM 1700 CG1 VAL A 123 14.165 -7.792 -3.646 1.00 0.48 C ATOM 1701 CG2 VAL A 123 13.549 -7.518 -6.063 1.00 0.59 C ATOM 0 H VAL A 123 11.488 -7.490 -2.641 1.00 0.44 H new ATOM 0 HA VAL A 123 11.231 -8.425 -5.343 1.00 0.51 H new ATOM 0 HB VAL A 123 12.678 -6.495 -4.412 1.00 0.50 H new ATOM 0 HG11 VAL A 123 14.979 -7.085 -3.802 1.00 0.48 H new ATOM 0 HG12 VAL A 123 13.790 -7.695 -2.627 1.00 0.48 H new ATOM 0 HG13 VAL A 123 14.531 -8.807 -3.803 1.00 0.48 H new ATOM 0 HG21 VAL A 123 14.382 -6.823 -6.164 1.00 0.59 H new ATOM 0 HG22 VAL A 123 13.883 -8.524 -6.318 1.00 0.59 H new ATOM 0 HG23 VAL A 123 12.745 -7.221 -6.736 1.00 0.59 H new ATOM 1711 N LYS A 124 12.203 -10.493 -3.123 1.00 0.55 N ATOM 1712 CA LYS A 124 12.588 -11.881 -2.905 1.00 0.61 C ATOM 1713 C LYS A 124 11.433 -12.816 -3.228 1.00 0.63 C ATOM 1714 O LYS A 124 11.623 -14.019 -3.403 1.00 0.72 O ATOM 1715 CB LYS A 124 13.074 -12.099 -1.470 1.00 0.62 C ATOM 1716 CG LYS A 124 14.410 -11.426 -1.194 1.00 0.67 C ATOM 1717 CD LYS A 124 14.953 -11.746 0.190 1.00 0.75 C ATOM 1718 CE LYS A 124 14.040 -11.245 1.297 1.00 0.67 C ATOM 1719 NZ LYS A 124 14.678 -11.369 2.635 1.00 1.07 N ATOM 0 H LYS A 124 11.806 -10.028 -2.307 1.00 0.55 H new ATOM 0 HA LYS A 124 13.414 -12.110 -3.578 1.00 0.61 H new ATOM 0 HB2 LYS A 124 12.327 -11.714 -0.775 1.00 0.62 H new ATOM 0 HB3 LYS A 124 13.164 -13.168 -1.280 1.00 0.62 H new ATOM 0 HG2 LYS A 124 15.133 -11.742 -1.946 1.00 0.67 H new ATOM 0 HG3 LYS A 124 14.296 -10.347 -1.295 1.00 0.67 H new ATOM 0 HD2 LYS A 124 15.081 -12.824 0.287 1.00 0.75 H new ATOM 0 HD3 LYS A 124 15.939 -11.296 0.304 1.00 0.75 H new ATOM 0 HE2 LYS A 124 13.782 -10.202 1.112 1.00 0.67 H new ATOM 0 HE3 LYS A 124 13.108 -11.811 1.284 1.00 0.67 H new ATOM 0 HZ1 LYS A 124 13.986 -11.130 3.373 1.00 1.07 H new ATOM 0 HZ2 LYS A 124 15.008 -12.345 2.773 1.00 1.07 H new ATOM 0 HZ3 LYS A 124 15.487 -10.718 2.696 1.00 1.07 H new ATOM 1733 N VAL A 125 10.233 -12.258 -3.301 1.00 0.59 N ATOM 1734 CA VAL A 125 9.062 -13.024 -3.698 1.00 0.63 C ATOM 1735 C VAL A 125 8.855 -12.918 -5.206 1.00 0.69 C ATOM 1736 O VAL A 125 8.611 -13.920 -5.882 1.00 0.75 O ATOM 1737 CB VAL A 125 7.793 -12.550 -2.955 1.00 0.60 C ATOM 1738 CG1 VAL A 125 6.569 -13.329 -3.418 1.00 0.66 C ATOM 1739 CG2 VAL A 125 7.977 -12.691 -1.450 1.00 0.59 C ATOM 0 H VAL A 125 10.046 -11.278 -3.090 1.00 0.59 H new ATOM 0 HA VAL A 125 9.237 -14.065 -3.428 1.00 0.63 H new ATOM 0 HB VAL A 125 7.633 -11.498 -3.190 1.00 0.60 H new ATOM 0 HG11 VAL A 125 5.689 -12.977 -2.880 1.00 0.66 H new ATOM 0 HG12 VAL A 125 6.425 -13.178 -4.488 1.00 0.66 H new ATOM 0 HG13 VAL A 125 6.716 -14.390 -3.218 1.00 0.66 H new ATOM 0 HG21 VAL A 125 7.075 -12.353 -0.940 1.00 0.59 H new ATOM 0 HG22 VAL A 125 8.164 -13.736 -1.203 1.00 0.59 H new ATOM 0 HG23 VAL A 125 8.824 -12.085 -1.129 1.00 0.59 H new ATOM 1749 N LYS A 126 8.977 -11.702 -5.730 1.00 0.68 N ATOM 1750 CA LYS A 126 8.885 -11.472 -7.168 1.00 0.76 C ATOM 1751 C LYS A 126 10.082 -10.656 -7.661 1.00 0.75 C ATOM 1752 O LYS A 126 9.991 -9.448 -7.870 1.00 0.73 O ATOM 1753 CB LYS A 126 7.550 -10.801 -7.539 1.00 0.80 C ATOM 1754 CG LYS A 126 6.842 -10.122 -6.371 1.00 0.73 C ATOM 1755 CD LYS A 126 7.187 -8.646 -6.256 1.00 0.71 C ATOM 1756 CE LYS A 126 5.996 -7.774 -6.636 1.00 0.73 C ATOM 1757 NZ LYS A 126 6.337 -6.327 -6.660 1.00 1.12 N ATOM 0 H LYS A 126 9.140 -10.859 -5.179 1.00 0.68 H new ATOM 0 HA LYS A 126 8.911 -12.439 -7.671 1.00 0.76 H new ATOM 0 HB2 LYS A 126 7.733 -10.060 -8.318 1.00 0.80 H new ATOM 0 HB3 LYS A 126 6.885 -11.553 -7.964 1.00 0.80 H new ATOM 0 HG2 LYS A 126 5.764 -10.231 -6.491 1.00 0.73 H new ATOM 0 HG3 LYS A 126 7.112 -10.628 -5.444 1.00 0.73 H new ATOM 0 HD2 LYS A 126 7.497 -8.420 -5.236 1.00 0.71 H new ATOM 0 HD3 LYS A 126 8.032 -8.415 -6.904 1.00 0.71 H new ATOM 0 HE2 LYS A 126 5.628 -8.074 -7.617 1.00 0.73 H new ATOM 0 HE3 LYS A 126 5.186 -7.942 -5.927 1.00 0.73 H new ATOM 0 HZ1 LYS A 126 5.477 -5.771 -6.840 1.00 1.12 H new ATOM 0 HZ2 LYS A 126 6.743 -6.051 -5.743 1.00 1.12 H new ATOM 0 HZ3 LYS A 126 7.030 -6.146 -7.414 1.00 1.12 H new ATOM 1771 N PRO A 127 11.233 -11.329 -7.825 1.00 0.80 N ATOM 1772 CA PRO A 127 12.498 -10.689 -8.206 1.00 0.83 C ATOM 1773 C PRO A 127 12.566 -10.305 -9.677 1.00 0.92 C ATOM 1774 O PRO A 127 13.412 -9.504 -10.078 1.00 0.96 O ATOM 1775 CB PRO A 127 13.539 -11.764 -7.901 1.00 0.87 C ATOM 1776 CG PRO A 127 12.805 -13.051 -8.040 1.00 0.97 C ATOM 1777 CD PRO A 127 11.389 -12.776 -7.617 1.00 0.86 C ATOM 0 HA PRO A 127 12.641 -9.751 -7.670 1.00 0.83 H new ATOM 0 HB2 PRO A 127 14.379 -11.710 -8.594 1.00 0.87 H new ATOM 0 HB3 PRO A 127 13.947 -11.647 -6.897 1.00 0.87 H new ATOM 0 HG2 PRO A 127 12.841 -13.410 -9.069 1.00 0.97 H new ATOM 0 HG3 PRO A 127 13.254 -13.824 -7.417 1.00 0.97 H new ATOM 0 HD2 PRO A 127 10.676 -13.345 -8.214 1.00 0.86 H new ATOM 0 HD3 PRO A 127 11.223 -13.050 -6.575 1.00 0.86 H new ATOM 1785 N HIS A 128 11.686 -10.876 -10.483 1.00 0.99 N ATOM 1786 CA HIS A 128 11.671 -10.579 -11.909 1.00 1.12 C ATOM 1787 C HIS A 128 10.797 -9.368 -12.168 1.00 1.04 C ATOM 1788 O HIS A 128 10.720 -8.868 -13.288 1.00 1.11 O ATOM 1789 CB HIS A 128 11.163 -11.773 -12.727 1.00 1.33 C ATOM 1790 CG HIS A 128 12.028 -12.991 -12.634 1.00 2.00 C ATOM 1791 ND1 HIS A 128 12.881 -13.388 -13.640 1.00 2.75 N ATOM 1792 CD2 HIS A 128 12.165 -13.909 -11.648 1.00 2.49 C ATOM 1793 CE1 HIS A 128 13.505 -14.491 -13.276 1.00 3.56 C ATOM 1794 NE2 HIS A 128 13.089 -14.831 -12.071 1.00 3.37 N ATOM 0 H HIS A 128 10.977 -11.543 -10.179 1.00 0.99 H new ATOM 0 HA HIS A 128 12.694 -10.370 -12.222 1.00 1.12 H new ATOM 0 HB2 HIS A 128 10.158 -12.028 -12.391 1.00 1.33 H new ATOM 0 HB3 HIS A 128 11.084 -11.476 -13.773 1.00 1.33 H new ATOM 0 HD2 HIS A 128 11.643 -13.914 -10.703 1.00 2.49 H new ATOM 0 HE1 HIS A 128 14.234 -15.026 -13.866 1.00 3.56 H new ATOM 0 HE2 HIS A 128 13.402 -15.645 -11.542 1.00 3.37 H new ATOM 1803 N ASP A 129 10.153 -8.892 -11.112 1.00 0.92 N ATOM 1804 CA ASP A 129 9.234 -7.773 -11.215 1.00 0.89 C ATOM 1805 C ASP A 129 9.953 -6.439 -11.042 1.00 0.83 C ATOM 1806 O ASP A 129 10.485 -6.132 -9.972 1.00 0.80 O ATOM 1807 CB ASP A 129 8.109 -7.904 -10.192 1.00 0.89 C ATOM 1808 CG ASP A 129 7.267 -6.648 -10.105 1.00 0.89 C ATOM 1809 OD1 ASP A 129 6.602 -6.292 -11.101 1.00 1.09 O ATOM 1810 OD2 ASP A 129 7.284 -6.002 -9.043 1.00 1.11 O ATOM 0 H ASP A 129 10.253 -9.268 -10.169 1.00 0.92 H new ATOM 0 HA ASP A 129 8.804 -7.794 -12.216 1.00 0.89 H new ATOM 0 HB2 ASP A 129 7.473 -8.748 -10.459 1.00 0.89 H new ATOM 0 HB3 ASP A 129 8.534 -8.123 -9.213 1.00 0.89 H new ATOM 1815 N LYS A 130 9.988 -5.683 -12.133 1.00 0.85 N ATOM 1816 CA LYS A 130 10.494 -4.309 -12.160 1.00 0.89 C ATOM 1817 C LYS A 130 10.082 -3.482 -10.942 1.00 0.84 C ATOM 1818 O LYS A 130 10.874 -2.689 -10.446 1.00 0.84 O ATOM 1819 CB LYS A 130 10.019 -3.574 -13.426 1.00 1.04 C ATOM 1820 CG LYS A 130 8.501 -3.370 -13.526 1.00 1.18 C ATOM 1821 CD LYS A 130 7.759 -4.640 -13.936 1.00 1.44 C ATOM 1822 CE LYS A 130 6.252 -4.436 -13.971 1.00 2.28 C ATOM 1823 NZ LYS A 130 5.679 -4.267 -12.608 1.00 3.05 N ATOM 0 H LYS A 130 9.660 -6.010 -13.042 1.00 0.85 H new ATOM 0 HA LYS A 130 11.580 -4.403 -12.151 1.00 0.89 H new ATOM 0 HB2 LYS A 130 10.505 -2.599 -13.466 1.00 1.04 H new ATOM 0 HB3 LYS A 130 10.354 -4.133 -14.300 1.00 1.04 H new ATOM 0 HG2 LYS A 130 8.121 -3.027 -12.564 1.00 1.18 H new ATOM 0 HG3 LYS A 130 8.292 -2.583 -14.250 1.00 1.18 H new ATOM 0 HD2 LYS A 130 8.104 -4.960 -14.919 1.00 1.44 H new ATOM 0 HD3 LYS A 130 8.000 -5.442 -13.238 1.00 1.44 H new ATOM 0 HE2 LYS A 130 6.019 -3.558 -14.573 1.00 2.28 H new ATOM 0 HE3 LYS A 130 5.782 -5.290 -14.458 1.00 2.28 H new ATOM 0 HZ1 LYS A 130 4.688 -4.581 -12.607 1.00 3.05 H new ATOM 0 HZ2 LYS A 130 6.224 -4.836 -11.929 1.00 3.05 H new ATOM 0 HZ3 LYS A 130 5.725 -3.265 -12.334 1.00 3.05 H new ATOM 1837 N ASP A 131 8.853 -3.655 -10.466 1.00 0.86 N ATOM 1838 CA ASP A 131 8.334 -2.819 -9.388 1.00 0.90 C ATOM 1839 C ASP A 131 9.005 -3.172 -8.068 1.00 0.77 C ATOM 1840 O ASP A 131 9.429 -2.290 -7.316 1.00 0.80 O ATOM 1841 CB ASP A 131 6.818 -2.975 -9.282 1.00 1.05 C ATOM 1842 CG ASP A 131 6.215 -2.101 -8.205 1.00 1.45 C ATOM 1843 OD1 ASP A 131 6.480 -0.881 -8.211 1.00 1.60 O ATOM 1844 OD2 ASP A 131 5.454 -2.631 -7.370 1.00 1.82 O ATOM 0 H ASP A 131 8.201 -4.362 -10.807 1.00 0.86 H new ATOM 0 HA ASP A 131 8.559 -1.777 -9.615 1.00 0.90 H new ATOM 0 HB2 ASP A 131 6.364 -2.728 -10.241 1.00 1.05 H new ATOM 0 HB3 ASP A 131 6.578 -4.018 -9.075 1.00 1.05 H new ATOM 1849 N ALA A 132 9.111 -4.470 -7.803 1.00 0.69 N ATOM 1850 CA ALA A 132 9.835 -4.961 -6.642 1.00 0.62 C ATOM 1851 C ALA A 132 11.286 -4.515 -6.707 1.00 0.59 C ATOM 1852 O ALA A 132 11.838 -4.026 -5.723 1.00 0.56 O ATOM 1853 CB ALA A 132 9.759 -6.478 -6.568 1.00 0.65 C ATOM 0 H ALA A 132 8.701 -5.203 -8.382 1.00 0.69 H new ATOM 0 HA ALA A 132 9.375 -4.547 -5.745 1.00 0.62 H new ATOM 0 HB1 ALA A 132 10.307 -6.827 -5.693 1.00 0.65 H new ATOM 0 HB2 ALA A 132 8.716 -6.787 -6.491 1.00 0.65 H new ATOM 0 HB3 ALA A 132 10.199 -6.909 -7.467 1.00 0.65 H new ATOM 1859 N LYS A 133 11.893 -4.684 -7.880 1.00 0.63 N ATOM 1860 CA LYS A 133 13.270 -4.261 -8.094 1.00 0.66 C ATOM 1861 C LYS A 133 13.415 -2.773 -7.833 1.00 0.65 C ATOM 1862 O LYS A 133 14.086 -2.371 -6.892 1.00 0.63 O ATOM 1863 CB LYS A 133 13.729 -4.560 -9.528 1.00 0.74 C ATOM 1864 CG LYS A 133 13.753 -6.034 -9.884 1.00 0.75 C ATOM 1865 CD LYS A 133 14.218 -6.257 -11.316 1.00 0.95 C ATOM 1866 CE LYS A 133 15.647 -5.781 -11.527 1.00 1.21 C ATOM 1867 NZ LYS A 133 16.626 -6.588 -10.751 1.00 1.93 N ATOM 0 H LYS A 133 11.451 -5.111 -8.694 1.00 0.63 H new ATOM 0 HA LYS A 133 13.894 -4.822 -7.398 1.00 0.66 H new ATOM 0 HB2 LYS A 133 13.069 -4.042 -10.223 1.00 0.74 H new ATOM 0 HB3 LYS A 133 14.728 -4.148 -9.670 1.00 0.74 H new ATOM 0 HG2 LYS A 133 14.415 -6.564 -9.199 1.00 0.75 H new ATOM 0 HG3 LYS A 133 12.757 -6.456 -9.754 1.00 0.75 H new ATOM 0 HD2 LYS A 133 14.148 -7.317 -11.560 1.00 0.95 H new ATOM 0 HD3 LYS A 133 13.554 -5.728 -12.000 1.00 0.95 H new ATOM 0 HE2 LYS A 133 15.894 -5.834 -12.587 1.00 1.21 H new ATOM 0 HE3 LYS A 133 15.727 -4.734 -11.233 1.00 1.21 H new ATOM 0 HZ1 LYS A 133 17.592 -6.344 -11.051 1.00 1.93 H new ATOM 0 HZ2 LYS A 133 16.517 -6.385 -9.737 1.00 1.93 H new ATOM 0 HZ3 LYS A 133 16.455 -7.600 -10.922 1.00 1.93 H new ATOM 1881 N MET A 134 12.735 -1.980 -8.654 1.00 0.68 N ATOM 1882 CA MET A 134 12.883 -0.526 -8.682 1.00 0.72 C ATOM 1883 C MET A 134 13.026 0.079 -7.290 1.00 0.65 C ATOM 1884 O MET A 134 14.026 0.730 -6.989 1.00 0.68 O ATOM 1885 CB MET A 134 11.678 0.099 -9.389 1.00 0.78 C ATOM 1886 CG MET A 134 11.740 1.615 -9.481 1.00 0.84 C ATOM 1887 SD MET A 134 10.341 2.322 -10.376 1.00 0.97 S ATOM 1888 CE MET A 134 10.543 1.568 -11.990 1.00 1.61 C ATOM 0 H MET A 134 12.056 -2.332 -9.329 1.00 0.68 H new ATOM 0 HA MET A 134 13.802 -0.307 -9.226 1.00 0.72 H new ATOM 0 HB2 MET A 134 11.604 -0.314 -10.395 1.00 0.78 H new ATOM 0 HB3 MET A 134 10.769 -0.187 -8.859 1.00 0.78 H new ATOM 0 HG2 MET A 134 11.771 2.034 -8.475 1.00 0.84 H new ATOM 0 HG3 MET A 134 12.666 1.906 -9.976 1.00 0.84 H new ATOM 0 HE1 MET A 134 10.030 2.171 -12.740 1.00 1.61 H new ATOM 0 HE2 MET A 134 11.604 1.510 -12.234 1.00 1.61 H new ATOM 0 HE3 MET A 134 10.118 0.564 -11.978 1.00 1.61 H new ATOM 1898 N LYS A 135 12.040 -0.155 -6.442 1.00 0.59 N ATOM 1899 CA LYS A 135 12.016 0.462 -5.128 1.00 0.54 C ATOM 1900 C LYS A 135 12.961 -0.241 -4.154 1.00 0.48 C ATOM 1901 O LYS A 135 13.446 0.372 -3.203 1.00 0.46 O ATOM 1902 CB LYS A 135 10.588 0.488 -4.591 1.00 0.54 C ATOM 1903 CG LYS A 135 9.825 1.764 -4.935 1.00 0.65 C ATOM 1904 CD LYS A 135 9.898 2.085 -6.421 1.00 0.76 C ATOM 1905 CE LYS A 135 9.103 3.330 -6.773 1.00 1.05 C ATOM 1906 NZ LYS A 135 7.637 3.093 -6.708 1.00 1.94 N ATOM 0 H LYS A 135 11.248 -0.766 -6.639 1.00 0.59 H new ATOM 0 HA LYS A 135 12.372 1.488 -5.227 1.00 0.54 H new ATOM 0 HB2 LYS A 135 10.044 -0.368 -4.990 1.00 0.54 H new ATOM 0 HB3 LYS A 135 10.615 0.372 -3.507 1.00 0.54 H new ATOM 0 HG2 LYS A 135 8.782 1.655 -4.638 1.00 0.65 H new ATOM 0 HG3 LYS A 135 10.234 2.597 -4.363 1.00 0.65 H new ATOM 0 HD2 LYS A 135 10.939 2.226 -6.711 1.00 0.76 H new ATOM 0 HD3 LYS A 135 9.519 1.239 -6.994 1.00 0.76 H new ATOM 0 HE2 LYS A 135 9.370 4.136 -6.089 1.00 1.05 H new ATOM 0 HE3 LYS A 135 9.372 3.660 -7.776 1.00 1.05 H new ATOM 0 HZ1 LYS A 135 7.198 3.385 -7.604 1.00 1.94 H new ATOM 0 HZ2 LYS A 135 7.456 2.082 -6.547 1.00 1.94 H new ATOM 0 HZ3 LYS A 135 7.230 3.646 -5.927 1.00 1.94 H new ATOM 1920 N TYR A 136 13.240 -1.520 -4.399 1.00 0.48 N ATOM 1921 CA TYR A 136 14.234 -2.242 -3.611 1.00 0.46 C ATOM 1922 C TYR A 136 15.605 -1.611 -3.802 1.00 0.47 C ATOM 1923 O TYR A 136 16.280 -1.259 -2.838 1.00 0.48 O ATOM 1924 CB TYR A 136 14.303 -3.720 -4.015 1.00 0.48 C ATOM 1925 CG TYR A 136 15.495 -4.445 -3.432 1.00 0.48 C ATOM 1926 CD1 TYR A 136 15.590 -4.689 -2.068 1.00 0.48 C ATOM 1927 CD2 TYR A 136 16.535 -4.875 -4.248 1.00 0.54 C ATOM 1928 CE1 TYR A 136 16.685 -5.342 -1.535 1.00 0.51 C ATOM 1929 CE2 TYR A 136 17.630 -5.528 -3.720 1.00 0.57 C ATOM 1930 CZ TYR A 136 17.702 -5.758 -2.366 1.00 0.54 C ATOM 1931 OH TYR A 136 18.795 -6.411 -1.843 1.00 0.59 O ATOM 0 H TYR A 136 12.795 -2.073 -5.131 1.00 0.48 H new ATOM 0 HA TYR A 136 13.935 -2.181 -2.565 1.00 0.46 H new ATOM 0 HB2 TYR A 136 13.390 -4.220 -3.693 1.00 0.48 H new ATOM 0 HB3 TYR A 136 14.340 -3.791 -5.102 1.00 0.48 H new ATOM 0 HD1 TYR A 136 14.795 -4.363 -1.413 1.00 0.48 H new ATOM 0 HD2 TYR A 136 16.485 -4.695 -5.312 1.00 0.54 H new ATOM 0 HE1 TYR A 136 16.743 -5.525 -0.472 1.00 0.51 H new ATOM 0 HE2 TYR A 136 18.428 -5.858 -4.368 1.00 0.57 H new ATOM 0 HH TYR A 136 19.418 -6.636 -2.565 1.00 0.59 H new ATOM 1941 N GLN A 137 15.994 -1.454 -5.060 1.00 0.49 N ATOM 1942 CA GLN A 137 17.317 -0.954 -5.400 1.00 0.51 C ATOM 1943 C GLN A 137 17.428 0.500 -4.995 1.00 0.53 C ATOM 1944 O GLN A 137 18.467 0.947 -4.521 1.00 0.57 O ATOM 1945 CB GLN A 137 17.571 -1.101 -6.901 1.00 0.55 C ATOM 1946 CG GLN A 137 16.798 -2.252 -7.522 1.00 0.61 C ATOM 1947 CD GLN A 137 17.315 -2.697 -8.868 1.00 1.17 C ATOM 1948 OE1 GLN A 137 17.008 -2.100 -9.896 1.00 2.09 O ATOM 1949 NE2 GLN A 137 18.028 -3.805 -8.873 1.00 1.24 N ATOM 0 H GLN A 137 15.407 -1.668 -5.866 1.00 0.49 H new ATOM 0 HA GLN A 137 18.066 -1.536 -4.863 1.00 0.51 H new ATOM 0 HB2 GLN A 137 17.297 -0.173 -7.403 1.00 0.55 H new ATOM 0 HB3 GLN A 137 18.637 -1.253 -7.071 1.00 0.55 H new ATOM 0 HG2 GLN A 137 16.823 -3.101 -6.838 1.00 0.61 H new ATOM 0 HG3 GLN A 137 15.754 -1.957 -7.627 1.00 0.61 H new ATOM 0 HE21 GLN A 137 18.259 -4.267 -7.993 1.00 1.24 H new ATOM 0 HE22 GLN A 137 18.349 -4.201 -9.757 1.00 1.24 H new ATOM 1958 N GLU A 138 16.333 1.219 -5.178 1.00 0.53 N ATOM 1959 CA GLU A 138 16.228 2.607 -4.771 1.00 0.57 C ATOM 1960 C GLU A 138 16.468 2.754 -3.266 1.00 0.54 C ATOM 1961 O GLU A 138 17.250 3.601 -2.835 1.00 0.60 O ATOM 1962 CB GLU A 138 14.852 3.131 -5.165 1.00 0.60 C ATOM 1963 CG GLU A 138 14.456 4.435 -4.494 1.00 0.69 C ATOM 1964 CD GLU A 138 13.178 5.014 -5.064 1.00 1.33 C ATOM 1965 OE1 GLU A 138 13.256 5.754 -6.067 1.00 1.46 O ATOM 1966 OE2 GLU A 138 12.091 4.737 -4.514 1.00 2.04 O ATOM 0 H GLU A 138 15.488 0.852 -5.616 1.00 0.53 H new ATOM 0 HA GLU A 138 16.994 3.195 -5.276 1.00 0.57 H new ATOM 0 HB2 GLU A 138 14.827 3.271 -6.246 1.00 0.60 H new ATOM 0 HB3 GLU A 138 14.107 2.373 -4.925 1.00 0.60 H new ATOM 0 HG2 GLU A 138 14.330 4.266 -3.425 1.00 0.69 H new ATOM 0 HG3 GLU A 138 15.263 5.159 -4.609 1.00 0.69 H new ATOM 1973 N CYS A 139 15.809 1.920 -2.471 1.00 0.47 N ATOM 1974 CA CYS A 139 15.994 1.955 -1.028 1.00 0.44 C ATOM 1975 C CYS A 139 17.402 1.486 -0.677 1.00 0.43 C ATOM 1976 O CYS A 139 18.081 2.091 0.153 1.00 0.42 O ATOM 1977 CB CYS A 139 14.963 1.071 -0.324 1.00 0.42 C ATOM 1978 SG CYS A 139 14.549 1.621 1.346 1.00 1.06 S ATOM 0 H CYS A 139 15.147 1.217 -2.799 1.00 0.47 H new ATOM 0 HA CYS A 139 15.856 2.981 -0.688 1.00 0.44 H new ATOM 0 HB2 CYS A 139 14.053 1.043 -0.923 1.00 0.42 H new ATOM 0 HB3 CYS A 139 15.345 0.051 -0.276 1.00 0.42 H new ATOM 0 HG CYS A 139 15.328 1.031 2.203 1.00 1.06 H new ATOM 1984 N ASN A 140 17.833 0.417 -1.338 1.00 0.45 N ATOM 1985 CA ASN A 140 19.147 -0.178 -1.100 1.00 0.48 C ATOM 1986 C ASN A 140 20.257 0.833 -1.338 1.00 0.52 C ATOM 1987 O ASN A 140 21.096 1.058 -0.466 1.00 0.54 O ATOM 1988 CB ASN A 140 19.356 -1.399 -2.005 1.00 0.52 C ATOM 1989 CG ASN A 140 20.706 -2.062 -1.790 1.00 0.60 C ATOM 1990 OD1 ASN A 140 21.240 -2.076 -0.682 1.00 1.22 O ATOM 1991 ND2 ASN A 140 21.271 -2.606 -2.857 1.00 1.13 N ATOM 0 H ASN A 140 17.284 -0.062 -2.052 1.00 0.45 H new ATOM 0 HA ASN A 140 19.184 -0.495 -0.058 1.00 0.48 H new ATOM 0 HB2 ASN A 140 18.565 -2.125 -1.818 1.00 0.52 H new ATOM 0 HB3 ASN A 140 19.268 -1.093 -3.047 1.00 0.52 H new ATOM 0 HD21 ASN A 140 22.182 -3.058 -2.777 1.00 1.13 H new ATOM 0 HD22 ASN A 140 20.795 -2.573 -3.759 1.00 1.13 H new ATOM 1998 N LYS A 141 20.247 1.459 -2.511 1.00 0.56 N ATOM 1999 CA LYS A 141 21.276 2.426 -2.862 1.00 0.63 C ATOM 2000 C LYS A 141 21.273 3.595 -1.889 1.00 0.60 C ATOM 2001 O LYS A 141 22.329 4.130 -1.564 1.00 0.65 O ATOM 2002 CB LYS A 141 21.090 2.953 -4.288 1.00 0.70 C ATOM 2003 CG LYS A 141 19.810 3.747 -4.480 1.00 0.69 C ATOM 2004 CD LYS A 141 19.888 4.651 -5.692 1.00 0.81 C ATOM 2005 CE LYS A 141 18.595 5.424 -5.888 1.00 0.85 C ATOM 2006 NZ LYS A 141 18.643 6.304 -7.083 1.00 1.15 N ATOM 0 H LYS A 141 19.539 1.313 -3.231 1.00 0.56 H new ATOM 0 HA LYS A 141 22.234 1.909 -2.804 1.00 0.63 H new ATOM 0 HB2 LYS A 141 21.941 3.583 -4.548 1.00 0.70 H new ATOM 0 HB3 LYS A 141 21.093 2.112 -4.981 1.00 0.70 H new ATOM 0 HG2 LYS A 141 18.970 3.062 -4.591 1.00 0.69 H new ATOM 0 HG3 LYS A 141 19.617 4.347 -3.591 1.00 0.69 H new ATOM 0 HD2 LYS A 141 20.717 5.349 -5.575 1.00 0.81 H new ATOM 0 HD3 LYS A 141 20.096 4.055 -6.580 1.00 0.81 H new ATOM 0 HE2 LYS A 141 17.766 4.723 -5.988 1.00 0.85 H new ATOM 0 HE3 LYS A 141 18.397 6.028 -5.002 1.00 0.85 H new ATOM 0 HZ1 LYS A 141 17.740 6.811 -7.177 1.00 1.15 H new ATOM 0 HZ2 LYS A 141 19.417 6.991 -6.977 1.00 1.15 H new ATOM 0 HZ3 LYS A 141 18.806 5.727 -7.933 1.00 1.15 H new ATOM 2020 N ILE A 142 20.087 3.985 -1.424 1.00 0.54 N ATOM 2021 CA ILE A 142 19.967 5.104 -0.499 1.00 0.52 C ATOM 2022 C ILE A 142 20.521 4.745 0.876 1.00 0.49 C ATOM 2023 O ILE A 142 21.118 5.584 1.561 1.00 0.51 O ATOM 2024 CB ILE A 142 18.520 5.626 -0.412 1.00 0.50 C ATOM 2025 CG1 ILE A 142 18.216 6.427 -1.681 1.00 0.58 C ATOM 2026 CG2 ILE A 142 18.319 6.483 0.832 1.00 0.49 C ATOM 2027 CD1 ILE A 142 16.850 7.074 -1.701 1.00 0.60 C ATOM 0 H ILE A 142 19.202 3.544 -1.673 1.00 0.54 H new ATOM 0 HA ILE A 142 20.572 5.919 -0.895 1.00 0.52 H new ATOM 0 HB ILE A 142 17.833 4.783 -0.334 1.00 0.50 H new ATOM 0 HG12 ILE A 142 18.973 7.203 -1.796 1.00 0.58 H new ATOM 0 HG13 ILE A 142 18.304 5.765 -2.543 1.00 0.58 H new ATOM 0 HG21 ILE A 142 17.289 6.838 0.867 1.00 0.49 H new ATOM 0 HG22 ILE A 142 18.529 5.888 1.721 1.00 0.49 H new ATOM 0 HG23 ILE A 142 18.996 7.337 0.799 1.00 0.49 H new ATOM 0 HD11 ILE A 142 16.720 7.620 -2.635 1.00 0.60 H new ATOM 0 HD12 ILE A 142 16.082 6.305 -1.620 1.00 0.60 H new ATOM 0 HD13 ILE A 142 16.762 7.764 -0.862 1.00 0.60 H new ATOM 2039 N VAL A 143 20.367 3.492 1.263 1.00 0.46 N ATOM 2040 CA VAL A 143 21.005 3.007 2.469 1.00 0.47 C ATOM 2041 C VAL A 143 22.520 3.135 2.337 1.00 0.56 C ATOM 2042 O VAL A 143 23.209 3.472 3.295 1.00 0.59 O ATOM 2043 CB VAL A 143 20.635 1.544 2.777 1.00 0.47 C ATOM 2044 CG1 VAL A 143 21.429 1.043 3.969 1.00 0.55 C ATOM 2045 CG2 VAL A 143 19.142 1.411 3.040 1.00 0.41 C ATOM 0 H VAL A 143 19.810 2.798 0.764 1.00 0.46 H new ATOM 0 HA VAL A 143 20.646 3.618 3.297 1.00 0.47 H new ATOM 0 HB VAL A 143 20.884 0.934 1.908 1.00 0.47 H new ATOM 0 HG11 VAL A 143 21.159 0.008 4.177 1.00 0.55 H new ATOM 0 HG12 VAL A 143 22.495 1.102 3.747 1.00 0.55 H new ATOM 0 HG13 VAL A 143 21.205 1.659 4.840 1.00 0.55 H new ATOM 0 HG21 VAL A 143 18.902 0.370 3.255 1.00 0.41 H new ATOM 0 HG22 VAL A 143 18.866 2.031 3.893 1.00 0.41 H new ATOM 0 HG23 VAL A 143 18.587 1.737 2.160 1.00 0.41 H new ATOM 2055 N LYS A 144 23.024 2.907 1.127 1.00 0.63 N ATOM 2056 CA LYS A 144 24.454 3.014 0.869 1.00 0.74 C ATOM 2057 C LYS A 144 24.878 4.468 0.742 1.00 0.76 C ATOM 2058 O LYS A 144 26.055 4.791 0.890 1.00 0.85 O ATOM 2059 CB LYS A 144 24.849 2.267 -0.396 1.00 0.84 C ATOM 2060 CG LYS A 144 24.152 0.937 -0.554 1.00 0.83 C ATOM 2061 CD LYS A 144 25.105 -0.166 -0.991 1.00 1.10 C ATOM 2062 CE LYS A 144 25.828 -0.806 0.192 1.00 1.57 C ATOM 2063 NZ LYS A 144 26.723 0.143 0.910 1.00 2.23 N ATOM 0 H LYS A 144 22.465 2.648 0.314 1.00 0.63 H new ATOM 0 HA LYS A 144 24.964 2.562 1.720 1.00 0.74 H new ATOM 0 HB2 LYS A 144 24.625 2.891 -1.261 1.00 0.84 H new ATOM 0 HB3 LYS A 144 25.927 2.105 -0.391 1.00 0.84 H new ATOM 0 HG2 LYS A 144 23.687 0.659 0.392 1.00 0.83 H new ATOM 0 HG3 LYS A 144 23.351 1.034 -1.287 1.00 0.83 H new ATOM 0 HD2 LYS A 144 24.548 -0.931 -1.532 1.00 1.10 H new ATOM 0 HD3 LYS A 144 25.839 0.244 -1.685 1.00 1.10 H new ATOM 0 HE2 LYS A 144 25.091 -1.201 0.891 1.00 1.57 H new ATOM 0 HE3 LYS A 144 26.415 -1.653 -0.163 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 27.334 -0.385 1.565 1.00 2.23 H new ATOM 0 HZ2 LYS A 144 27.312 0.653 0.221 1.00 2.23 H new ATOM 0 HZ3 LYS A 144 26.148 0.825 1.445 1.00 2.23 H new ATOM 2077 N GLN A 145 23.924 5.347 0.440 1.00 0.70 N ATOM 2078 CA GLN A 145 24.205 6.774 0.455 1.00 0.74 C ATOM 2079 C GLN A 145 24.630 7.153 1.856 1.00 0.75 C ATOM 2080 O GLN A 145 25.466 8.032 2.068 1.00 0.84 O ATOM 2081 CB GLN A 145 22.983 7.599 0.068 1.00 0.71 C ATOM 2082 CG GLN A 145 22.295 7.094 -1.171 1.00 0.72 C ATOM 2083 CD GLN A 145 23.029 7.419 -2.453 1.00 0.94 C ATOM 2084 OE1 GLN A 145 23.753 8.411 -2.545 1.00 1.36 O ATOM 2085 NE2 GLN A 145 22.824 6.593 -3.463 1.00 1.27 N ATOM 0 H GLN A 145 22.968 5.099 0.187 1.00 0.70 H new ATOM 0 HA GLN A 145 24.989 6.982 -0.273 1.00 0.74 H new ATOM 0 HB2 GLN A 145 22.274 7.597 0.896 1.00 0.71 H new ATOM 0 HB3 GLN A 145 23.286 8.634 -0.089 1.00 0.71 H new ATOM 0 HG2 GLN A 145 22.177 6.013 -1.095 1.00 0.72 H new ATOM 0 HG3 GLN A 145 21.293 7.521 -1.219 1.00 0.72 H new ATOM 0 HE21 GLN A 145 22.216 5.782 -3.344 1.00 1.27 H new ATOM 0 HE22 GLN A 145 23.273 6.766 -4.362 1.00 1.27 H new ATOM 2094 N LYS A 146 24.017 6.471 2.810 1.00 0.67 N ATOM 2095 CA LYS A 146 24.376 6.607 4.200 1.00 0.70 C ATOM 2096 C LYS A 146 25.593 5.746 4.534 1.00 0.84 C ATOM 2097 O LYS A 146 26.557 6.224 5.137 1.00 0.94 O ATOM 2098 CB LYS A 146 23.195 6.229 5.093 1.00 0.58 C ATOM 2099 CG LYS A 146 22.056 7.232 5.046 1.00 0.58 C ATOM 2100 CD LYS A 146 20.981 6.896 6.062 1.00 0.64 C ATOM 2101 CE LYS A 146 19.974 8.028 6.194 1.00 1.40 C ATOM 2102 NZ LYS A 146 19.097 7.863 7.382 1.00 1.73 N ATOM 0 H LYS A 146 23.259 5.811 2.637 1.00 0.67 H new ATOM 0 HA LYS A 146 24.635 7.649 4.385 1.00 0.70 H new ATOM 0 HB2 LYS A 146 22.820 5.251 4.792 1.00 0.58 H new ATOM 0 HB3 LYS A 146 23.543 6.134 6.122 1.00 0.58 H new ATOM 0 HG2 LYS A 146 22.442 8.233 5.240 1.00 0.58 H new ATOM 0 HG3 LYS A 146 21.622 7.246 4.046 1.00 0.58 H new ATOM 0 HD2 LYS A 146 20.467 5.982 5.763 1.00 0.64 H new ATOM 0 HD3 LYS A 146 21.441 6.701 7.031 1.00 0.64 H new ATOM 0 HE2 LYS A 146 20.505 8.978 6.265 1.00 1.40 H new ATOM 0 HE3 LYS A 146 19.360 8.073 5.295 1.00 1.40 H new ATOM 0 HZ1 LYS A 146 18.427 8.657 7.432 1.00 1.73 H new ATOM 0 HZ2 LYS A 146 18.570 6.970 7.303 1.00 1.73 H new ATOM 0 HZ3 LYS A 146 19.679 7.847 8.244 1.00 1.73 H new