USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 40 THR OG1 : rot 86:sc= 0.124 USER MOD Set 1.2: A 127 SER OG : rot 180:sc= 0.12 USER MOD Set 2.1: A 70 GLN : amide:sc= 1.11 K(o=3.4,f=-1.2) USER MOD Set 2.2: A 71 THR OG1 : rot -111:sc= 0.488 USER MOD Set 2.3: A 120 SER OG : rot 106:sc= 1.83 USER MOD Set 3.1: A 67 TYR OH : rot -146:sc= 2.68 USER MOD Set 3.2: A 96 THR OG1 : rot 100:sc= 1.52 USER MOD Set 4.1: A 52 CYS SG : rot -4:sc= 1.17 USER MOD Set 4.2: A 54 HIS : no HD1:sc= -0.873 K(o=0.29,f=-2.3!) USER MOD Set 5.1: A 34 ASN : amide:sc= -0.398 K(o=0.23,f=-1.9!) USER MOD Set 5.2: A 37 THR OG1 : rot -150:sc= 0.625 USER MOD Set 6.1: A 20 SER OG : rot -82:sc= 2.23 USER MOD Set 6.2: A 42 THR OG1 : rot 180:sc= 1.02 USER MOD Set 6.3: A 47 GLN : amide:sc= -5.65! C(o=-2.4!,f=-3.2!) USER MOD Single : A 3 LYS NZ :NH3+ 175:sc= 1.09 (180deg=0.889) USER MOD Single : A 7 CYS SG : rot -16:sc= -0.88 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 157:sc= -0.0326 USER MOD Single : A 19 THR OG1 : rot 63:sc= 0.229 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HE2:sc= 0.0233 K(o=0.023,f=-0.62) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 160:sc= 0.94 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -147:sc= 2.48 (180deg=1.98) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.8!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 0.0202 (180deg=-1.43!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 1.16 (180deg=0.537) USER MOD Single : A 77 SER OG : rot 127:sc= 1.1 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0759 USER MOD Single : A 80 LYS NZ :NH3+ -170:sc= 1.2 (180deg=1.04) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 91 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.13) USER MOD Single : A 95 HIS : no HD1:sc= -0.106 X(o=-0.11,f=-0.019) USER MOD Single : A 99 GLN : amide:sc= -0.41 K(o=-0.41,f=-4.8!) USER MOD Single : A 101 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.08) USER MOD Single : A 102 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.6!) USER MOD Single : A 108 HIS : no HD1:sc= -2.14! C(o=-2.1!,f=-4.8!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 148:sc= 0.681 USER MOD Single : A 113 TYR OH : rot 49:sc= 1.19 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 129 HIS : no HE2:sc= -0.255 K(o=-0.25,f=-0.81) USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 145:sc= 0.917 USER MOD Single : A 136 THR OG1 : rot 46:sc= 0.0222 USER MOD Single : A 139 SER OG : rot 180:sc= -0.151 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 0.605 -13.048 5.327 1.00 0.00 N ATOM 19 CA ARG A 2 -0.508 -12.481 4.572 1.00 0.00 C ATOM 20 C ARG A 2 -0.235 -11.034 4.169 1.00 0.00 C ATOM 21 O ARG A 2 -1.076 -10.383 3.548 1.00 0.00 O ATOM 22 CB ARG A 2 -1.781 -12.536 5.408 1.00 0.00 C ATOM 23 CG ARG A 2 -1.700 -11.682 6.665 1.00 0.00 C ATOM 24 CD ARG A 2 -3.033 -11.609 7.384 1.00 0.00 C ATOM 25 NE ARG A 2 -4.116 -11.218 6.485 1.00 0.00 N ATOM 26 CZ ARG A 2 -4.353 -9.969 6.082 1.00 0.00 C ATOM 27 NH1 ARG A 2 -3.575 -8.966 6.484 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.375 -9.727 5.276 1.00 0.00 N ATOM 0 HA ARG A 2 -0.628 -13.073 3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.623 -12.202 4.801 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.981 -13.570 5.689 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.947 -12.095 7.337 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -1.374 -10.676 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.261 -12.579 7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.965 -10.893 8.203 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.735 -11.952 6.141 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -2.788 -9.149 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -3.766 -8.015 6.169 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.974 -10.493 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -5.563 -8.775 4.963 1.00 0.00 H new ATOM 42 N LYS A 3 0.931 -10.532 4.538 1.00 0.00 N ATOM 43 CA LYS A 3 1.303 -9.165 4.229 1.00 0.00 C ATOM 44 C LYS A 3 2.630 -9.132 3.492 1.00 0.00 C ATOM 45 O LYS A 3 3.686 -9.360 4.077 1.00 0.00 O ATOM 46 CB LYS A 3 1.389 -8.322 5.504 1.00 0.00 C ATOM 47 CG LYS A 3 0.039 -8.028 6.139 1.00 0.00 C ATOM 48 CD LYS A 3 0.185 -7.223 7.425 1.00 0.00 C ATOM 49 CE LYS A 3 0.872 -5.884 7.188 1.00 0.00 C ATOM 50 NZ LYS A 3 0.139 -5.039 6.208 1.00 0.00 N ATOM 0 H LYS A 3 1.638 -11.055 5.054 1.00 0.00 H new ATOM 0 HA LYS A 3 0.531 -8.741 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.016 -8.841 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.884 -7.379 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.583 -7.477 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.475 -8.965 6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.800 -7.053 7.859 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.758 -7.800 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.956 -5.349 8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.886 -6.057 6.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.596 -4.107 6.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.153 -5.498 5.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.846 -4.920 6.520 1.00 0.00 H new ATOM 64 N ILE A 4 2.559 -8.876 2.201 1.00 0.00 N ATOM 65 CA ILE A 4 3.741 -8.790 1.366 1.00 0.00 C ATOM 66 C ILE A 4 3.439 -7.923 0.148 1.00 0.00 C ATOM 67 O ILE A 4 2.407 -8.092 -0.499 1.00 0.00 O ATOM 68 CB ILE A 4 4.233 -10.194 0.926 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.438 -10.079 -0.012 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.110 -10.987 0.269 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.005 -11.417 -0.436 1.00 0.00 C ATOM 0 H ILE A 4 1.683 -8.722 1.702 1.00 0.00 H new ATOM 0 HA ILE A 4 4.542 -8.335 1.948 1.00 0.00 H new ATOM 0 HB ILE A 4 4.547 -10.734 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.144 -9.520 -0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.220 -9.503 0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.483 -11.967 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.290 -11.111 0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 4 2.753 -10.451 -0.611 1.00 0.00 H new ATOM 0 HD11 ILE A 4 6.855 -11.258 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.330 -11.970 0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.238 -11.988 -0.960 1.00 0.00 H new ATOM 83 N ASP A 5 4.315 -6.969 -0.131 1.00 0.00 N ATOM 84 CA ASP A 5 4.116 -6.061 -1.253 1.00 0.00 C ATOM 85 C ASP A 5 4.403 -6.781 -2.562 1.00 0.00 C ATOM 86 O ASP A 5 5.550 -6.916 -2.980 1.00 0.00 O ATOM 87 CB ASP A 5 5.007 -4.826 -1.110 1.00 0.00 C ATOM 88 CG ASP A 5 4.759 -4.081 0.188 1.00 0.00 C ATOM 89 OD1 ASP A 5 3.776 -3.315 0.267 1.00 0.00 O ATOM 90 OD2 ASP A 5 5.547 -4.265 1.138 1.00 0.00 O ATOM 0 H ASP A 5 5.169 -6.803 0.402 1.00 0.00 H new ATOM 0 HA ASP A 5 3.077 -5.730 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.053 -5.129 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 5 4.831 -4.155 -1.950 1.00 0.00 H new ATOM 95 N LEU A 6 3.342 -7.242 -3.204 1.00 0.00 N ATOM 96 CA LEU A 6 3.455 -8.106 -4.370 1.00 0.00 C ATOM 97 C LEU A 6 3.763 -7.336 -5.652 1.00 0.00 C ATOM 98 O LEU A 6 3.933 -7.937 -6.707 1.00 0.00 O ATOM 99 CB LEU A 6 2.167 -8.913 -4.535 1.00 0.00 C ATOM 100 CG LEU A 6 1.856 -9.861 -3.373 1.00 0.00 C ATOM 101 CD1 LEU A 6 0.412 -10.328 -3.434 1.00 0.00 C ATOM 102 CD2 LEU A 6 2.801 -11.054 -3.395 1.00 0.00 C ATOM 0 H LEU A 6 2.382 -7.030 -2.934 1.00 0.00 H new ATOM 0 HA LEU A 6 4.298 -8.775 -4.198 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.333 -8.221 -4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.234 -9.495 -5.454 1.00 0.00 H new ATOM 0 HG LEU A 6 2.002 -9.319 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.212 -11.000 -2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.252 -9.466 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.239 -10.853 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.567 -11.719 -2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.684 -11.594 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.830 -10.705 -3.303 1.00 0.00 H new ATOM 114 N CYS A 7 3.860 -6.023 -5.562 1.00 0.00 N ATOM 115 CA CYS A 7 4.147 -5.202 -6.736 1.00 0.00 C ATOM 116 C CYS A 7 5.644 -4.975 -6.899 1.00 0.00 C ATOM 117 O CYS A 7 6.082 -4.355 -7.864 1.00 0.00 O ATOM 118 CB CYS A 7 3.421 -3.861 -6.648 1.00 0.00 C ATOM 119 SG CYS A 7 1.621 -3.994 -6.707 1.00 0.00 S ATOM 0 H CYS A 7 3.746 -5.498 -4.695 1.00 0.00 H new ATOM 0 HA CYS A 7 3.786 -5.742 -7.611 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.708 -3.364 -5.721 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.755 -3.224 -7.467 1.00 0.00 H new ATOM 0 HG CYS A 7 1.287 -5.168 -7.153 1.00 0.00 H new ATOM 125 N LEU A 8 6.420 -5.475 -5.947 1.00 0.00 N ATOM 126 CA LEU A 8 7.857 -5.259 -5.938 1.00 0.00 C ATOM 127 C LEU A 8 8.547 -5.991 -7.077 1.00 0.00 C ATOM 128 O LEU A 8 8.118 -7.066 -7.498 1.00 0.00 O ATOM 129 CB LEU A 8 8.459 -5.718 -4.609 1.00 0.00 C ATOM 130 CG LEU A 8 7.967 -4.958 -3.382 1.00 0.00 C ATOM 131 CD1 LEU A 8 8.718 -5.405 -2.135 1.00 0.00 C ATOM 132 CD2 LEU A 8 8.120 -3.465 -3.601 1.00 0.00 C ATOM 0 H LEU A 8 6.074 -6.036 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 8 8.019 -4.189 -6.068 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.239 -6.777 -4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.543 -5.623 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 8 6.910 -5.180 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.352 -4.850 -1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.557 -6.471 -1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.783 -5.214 -2.264 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.766 -2.930 -2.720 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.170 -3.228 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.534 -3.163 -4.469 1.00 0.00 H new ATOM 144 N SER A 9 9.626 -5.393 -7.557 1.00 0.00 N ATOM 145 CA SER A 9 10.488 -6.025 -8.540 1.00 0.00 C ATOM 146 C SER A 9 11.101 -7.293 -7.947 1.00 0.00 C ATOM 147 O SER A 9 11.441 -8.231 -8.666 1.00 0.00 O ATOM 148 CB SER A 9 11.582 -5.042 -8.977 1.00 0.00 C ATOM 149 OG SER A 9 12.412 -5.591 -9.984 1.00 0.00 O ATOM 0 H SER A 9 9.927 -4.460 -7.277 1.00 0.00 H new ATOM 0 HA SER A 9 9.903 -6.302 -9.417 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.121 -4.126 -9.346 1.00 0.00 H new ATOM 0 HB3 SER A 9 12.190 -4.768 -8.115 1.00 0.00 H new ATOM 0 HG SER A 9 13.095 -4.936 -10.238 1.00 0.00 H new ATOM 155 N SER A 10 11.201 -7.324 -6.617 1.00 0.00 N ATOM 156 CA SER A 10 11.709 -8.491 -5.906 1.00 0.00 C ATOM 157 C SER A 10 10.705 -9.638 -5.999 1.00 0.00 C ATOM 158 O SER A 10 11.047 -10.807 -5.817 1.00 0.00 O ATOM 159 CB SER A 10 11.962 -8.136 -4.442 1.00 0.00 C ATOM 160 OG SER A 10 12.703 -6.931 -4.330 1.00 0.00 O ATOM 0 H SER A 10 10.934 -6.548 -6.011 1.00 0.00 H new ATOM 0 HA SER A 10 12.647 -8.806 -6.364 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.011 -8.032 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.505 -8.947 -3.956 1.00 0.00 H new ATOM 0 HG SER A 10 12.850 -6.724 -3.383 1.00 0.00 H new ATOM 166 N GLU A 11 9.461 -9.283 -6.291 1.00 0.00 N ATOM 167 CA GLU A 11 8.397 -10.256 -6.445 1.00 0.00 C ATOM 168 C GLU A 11 8.287 -10.718 -7.893 1.00 0.00 C ATOM 169 O GLU A 11 7.498 -11.607 -8.212 1.00 0.00 O ATOM 170 CB GLU A 11 7.068 -9.662 -5.969 1.00 0.00 C ATOM 171 CG GLU A 11 6.883 -9.746 -4.466 1.00 0.00 C ATOM 172 CD GLU A 11 6.991 -11.170 -3.970 1.00 0.00 C ATOM 173 OE1 GLU A 11 6.040 -11.949 -4.175 1.00 0.00 O ATOM 174 OE2 GLU A 11 8.046 -11.528 -3.409 1.00 0.00 O ATOM 0 H GLU A 11 9.166 -8.316 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 11 8.634 -11.125 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.012 -8.618 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.247 -10.184 -6.460 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.634 -9.130 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.909 -9.339 -4.196 1.00 0.00 H new ATOM 181 N GLY A 12 9.092 -10.121 -8.761 1.00 0.00 N ATOM 182 CA GLY A 12 9.066 -10.479 -10.164 1.00 0.00 C ATOM 183 C GLY A 12 8.022 -9.698 -10.933 1.00 0.00 C ATOM 184 O GLY A 12 7.804 -9.937 -12.123 1.00 0.00 O ATOM 0 H GLY A 12 9.764 -9.393 -8.517 1.00 0.00 H new ATOM 0 HA2 GLY A 12 10.048 -10.299 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.864 -11.546 -10.262 1.00 0.00 H new ATOM 188 N SER A 13 7.381 -8.762 -10.254 1.00 0.00 N ATOM 189 CA SER A 13 6.354 -7.946 -10.868 1.00 0.00 C ATOM 190 C SER A 13 6.985 -6.778 -11.609 1.00 0.00 C ATOM 191 O SER A 13 7.684 -5.956 -11.017 1.00 0.00 O ATOM 192 CB SER A 13 5.378 -7.451 -9.805 1.00 0.00 C ATOM 193 OG SER A 13 4.810 -8.546 -9.105 1.00 0.00 O ATOM 0 H SER A 13 7.557 -8.550 -9.272 1.00 0.00 H new ATOM 0 HA SER A 13 5.802 -8.549 -11.589 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.895 -6.793 -9.106 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.589 -6.862 -10.273 1.00 0.00 H new ATOM 0 HG SER A 13 4.492 -8.245 -8.228 1.00 0.00 H new ATOM 199 N GLU A 14 6.747 -6.723 -12.909 1.00 0.00 N ATOM 200 CA GLU A 14 7.344 -5.702 -13.750 1.00 0.00 C ATOM 201 C GLU A 14 6.288 -4.717 -14.224 1.00 0.00 C ATOM 202 O GLU A 14 5.103 -5.047 -14.295 1.00 0.00 O ATOM 203 CB GLU A 14 8.028 -6.344 -14.958 1.00 0.00 C ATOM 204 CG GLU A 14 9.054 -7.398 -14.588 1.00 0.00 C ATOM 205 CD GLU A 14 9.701 -8.021 -15.804 1.00 0.00 C ATOM 206 OE1 GLU A 14 8.987 -8.675 -16.590 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.925 -7.857 -15.982 1.00 0.00 O ATOM 0 H GLU A 14 6.142 -7.377 -13.405 1.00 0.00 H new ATOM 0 HA GLU A 14 8.088 -5.166 -13.161 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.269 -6.796 -15.596 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.515 -5.565 -15.545 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.823 -6.948 -13.960 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.574 -8.177 -13.995 1.00 0.00 H new ATOM 214 N VAL A 15 6.721 -3.512 -14.544 1.00 0.00 N ATOM 215 CA VAL A 15 5.826 -2.494 -15.062 1.00 0.00 C ATOM 216 C VAL A 15 5.841 -2.518 -16.591 1.00 0.00 C ATOM 217 O VAL A 15 6.895 -2.674 -17.209 1.00 0.00 O ATOM 218 CB VAL A 15 6.206 -1.089 -14.529 1.00 0.00 C ATOM 219 CG1 VAL A 15 7.656 -0.760 -14.842 1.00 0.00 C ATOM 220 CG2 VAL A 15 5.275 -0.020 -15.086 1.00 0.00 C ATOM 0 H VAL A 15 7.692 -3.213 -14.454 1.00 0.00 H new ATOM 0 HA VAL A 15 4.816 -2.713 -14.716 1.00 0.00 H new ATOM 0 HB VAL A 15 6.090 -1.103 -13.445 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.896 0.231 -14.457 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.306 -1.498 -14.373 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.808 -0.776 -15.921 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.565 0.955 -14.695 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.343 -0.010 -16.174 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.250 -0.239 -14.788 1.00 0.00 H new ATOM 230 N ILE A 16 4.666 -2.402 -17.189 1.00 0.00 N ATOM 231 CA ILE A 16 4.529 -2.446 -18.635 1.00 0.00 C ATOM 232 C ILE A 16 3.478 -1.444 -19.104 1.00 0.00 C ATOM 233 O ILE A 16 2.385 -1.372 -18.540 1.00 0.00 O ATOM 234 CB ILE A 16 4.153 -3.871 -19.121 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.902 -3.878 -20.636 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.942 -4.401 -18.365 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.520 -5.235 -21.190 1.00 0.00 C ATOM 0 H ILE A 16 3.786 -2.276 -16.689 1.00 0.00 H new ATOM 0 HA ILE A 16 5.494 -2.179 -19.067 1.00 0.00 H new ATOM 0 HB ILE A 16 4.993 -4.534 -18.914 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.109 -3.167 -20.866 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.801 -3.529 -21.145 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.698 -5.401 -18.724 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.168 -4.443 -17.299 1.00 0.00 H new ATOM 0 HG23 ILE A 16 2.092 -3.739 -18.530 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.360 -5.157 -22.265 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.322 -5.947 -20.993 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.604 -5.579 -20.710 1.00 0.00 H new ATOM 249 N LEU A 17 3.842 -0.651 -20.109 1.00 0.00 N ATOM 250 CA LEU A 17 2.927 0.292 -20.747 1.00 0.00 C ATOM 251 C LEU A 17 2.592 1.442 -19.798 1.00 0.00 C ATOM 252 O LEU A 17 1.774 1.305 -18.891 1.00 0.00 O ATOM 253 CB LEU A 17 1.643 -0.422 -21.212 1.00 0.00 C ATOM 254 CG LEU A 17 0.858 0.249 -22.350 1.00 0.00 C ATOM 255 CD1 LEU A 17 -0.259 -0.664 -22.821 1.00 0.00 C ATOM 256 CD2 LEU A 17 0.281 1.590 -21.923 1.00 0.00 C ATOM 0 H LEU A 17 4.782 -0.644 -20.505 1.00 0.00 H new ATOM 0 HA LEU A 17 3.422 0.706 -21.625 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.909 -1.430 -21.530 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.979 -0.523 -20.353 1.00 0.00 H new ATOM 0 HG LEU A 17 1.554 0.429 -23.169 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.809 -0.179 -23.627 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.165 -1.601 -23.183 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.936 -0.868 -21.992 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.267 2.032 -22.755 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.395 1.444 -21.081 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.091 2.257 -21.626 1.00 0.00 H new ATOM 268 N ALA A 18 3.249 2.570 -20.010 1.00 0.00 N ATOM 269 CA ALA A 18 2.960 3.779 -19.260 1.00 0.00 C ATOM 270 C ALA A 18 2.766 4.936 -20.229 1.00 0.00 C ATOM 271 O ALA A 18 3.573 5.125 -21.139 1.00 0.00 O ATOM 272 CB ALA A 18 4.080 4.080 -18.272 1.00 0.00 C ATOM 0 H ALA A 18 3.992 2.673 -20.701 1.00 0.00 H new ATOM 0 HA ALA A 18 2.044 3.637 -18.687 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.844 4.990 -17.720 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.183 3.249 -17.574 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.016 4.217 -18.814 1.00 0.00 H new ATOM 278 N THR A 19 1.694 5.692 -20.051 1.00 0.00 N ATOM 279 CA THR A 19 1.375 6.777 -20.969 1.00 0.00 C ATOM 280 C THR A 19 2.345 7.951 -20.792 1.00 0.00 C ATOM 281 O THR A 19 2.703 8.629 -21.756 1.00 0.00 O ATOM 282 CB THR A 19 -0.078 7.250 -20.777 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.958 6.114 -20.773 1.00 0.00 O ATOM 284 CG2 THR A 19 -0.493 8.207 -21.886 1.00 0.00 C ATOM 0 H THR A 19 1.032 5.576 -19.284 1.00 0.00 H new ATOM 0 HA THR A 19 1.482 6.394 -21.984 1.00 0.00 H new ATOM 0 HB THR A 19 -0.144 7.776 -19.824 1.00 0.00 H new ATOM 0 HG1 THR A 19 -0.747 5.539 -20.008 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.523 8.525 -21.726 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.161 9.079 -21.878 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.415 7.703 -22.849 1.00 0.00 H new ATOM 292 N SER A 20 2.776 8.183 -19.560 1.00 0.00 N ATOM 293 CA SER A 20 3.786 9.194 -19.293 1.00 0.00 C ATOM 294 C SER A 20 5.070 8.544 -18.794 1.00 0.00 C ATOM 295 O SER A 20 5.044 7.692 -17.907 1.00 0.00 O ATOM 296 CB SER A 20 3.281 10.209 -18.265 1.00 0.00 C ATOM 297 OG SER A 20 2.138 10.903 -18.742 1.00 0.00 O ATOM 0 H SER A 20 2.443 7.687 -18.734 1.00 0.00 H new ATOM 0 HA SER A 20 3.994 9.719 -20.226 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.036 9.696 -17.335 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.073 10.922 -18.036 1.00 0.00 H new ATOM 0 HG SER A 20 2.421 11.639 -19.323 1.00 0.00 H new ATOM 303 N SER A 21 6.186 8.928 -19.384 1.00 0.00 N ATOM 304 CA SER A 21 7.485 8.452 -18.947 1.00 0.00 C ATOM 305 C SER A 21 8.516 9.558 -19.110 1.00 0.00 C ATOM 306 O SER A 21 8.518 10.269 -20.118 1.00 0.00 O ATOM 307 CB SER A 21 7.897 7.214 -19.746 1.00 0.00 C ATOM 308 OG SER A 21 6.905 6.203 -19.659 1.00 0.00 O ATOM 0 H SER A 21 6.219 9.573 -20.173 1.00 0.00 H new ATOM 0 HA SER A 21 7.426 8.174 -17.895 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.055 7.486 -20.790 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.846 6.832 -19.369 1.00 0.00 H new ATOM 0 HG SER A 21 7.188 5.421 -20.178 1.00 0.00 H new ATOM 314 N ASP A 22 9.369 9.717 -18.113 1.00 0.00 N ATOM 315 CA ASP A 22 10.369 10.771 -18.127 1.00 0.00 C ATOM 316 C ASP A 22 11.756 10.180 -17.914 1.00 0.00 C ATOM 317 O ASP A 22 11.905 9.167 -17.232 1.00 0.00 O ATOM 318 CB ASP A 22 10.047 11.803 -17.046 1.00 0.00 C ATOM 319 CG ASP A 22 11.011 12.966 -17.042 1.00 0.00 C ATOM 320 OD1 ASP A 22 10.856 13.880 -17.876 1.00 0.00 O ATOM 321 OD2 ASP A 22 11.926 12.976 -16.200 1.00 0.00 O ATOM 0 H ASP A 22 9.389 9.128 -17.281 1.00 0.00 H new ATOM 0 HA ASP A 22 10.355 11.268 -19.097 1.00 0.00 H new ATOM 0 HB2 ASP A 22 9.034 12.177 -17.197 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.066 11.318 -16.070 1.00 0.00 H new ATOM 326 N GLU A 23 12.767 10.805 -18.507 1.00 0.00 N ATOM 327 CA GLU A 23 14.132 10.292 -18.435 1.00 0.00 C ATOM 328 C GLU A 23 14.762 10.589 -17.076 1.00 0.00 C ATOM 329 O GLU A 23 15.667 9.883 -16.629 1.00 0.00 O ATOM 330 CB GLU A 23 14.985 10.899 -19.551 1.00 0.00 C ATOM 331 CG GLU A 23 14.354 10.781 -20.930 1.00 0.00 C ATOM 332 CD GLU A 23 15.278 11.237 -22.043 1.00 0.00 C ATOM 333 OE1 GLU A 23 15.812 12.365 -21.968 1.00 0.00 O ATOM 334 OE2 GLU A 23 15.466 10.470 -23.011 1.00 0.00 O ATOM 0 H GLU A 23 12.668 11.667 -19.043 1.00 0.00 H new ATOM 0 HA GLU A 23 14.092 9.210 -18.563 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.162 11.952 -19.330 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.958 10.407 -19.562 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.067 9.744 -21.105 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.440 11.374 -20.958 1.00 0.00 H new ATOM 341 N LYS A 24 14.281 11.635 -16.421 1.00 0.00 N ATOM 342 CA LYS A 24 14.807 12.028 -15.120 1.00 0.00 C ATOM 343 C LYS A 24 13.960 11.409 -14.016 1.00 0.00 C ATOM 344 O LYS A 24 14.402 11.258 -12.875 1.00 0.00 O ATOM 345 CB LYS A 24 14.815 13.552 -14.981 1.00 0.00 C ATOM 346 CG LYS A 24 15.397 14.274 -16.187 1.00 0.00 C ATOM 347 CD LYS A 24 16.831 13.856 -16.461 1.00 0.00 C ATOM 348 CE LYS A 24 17.366 14.526 -17.717 1.00 0.00 C ATOM 349 NZ LYS A 24 18.766 14.129 -18.005 1.00 0.00 N ATOM 0 H LYS A 24 13.527 12.228 -16.768 1.00 0.00 H new ATOM 0 HA LYS A 24 15.832 11.668 -15.033 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.794 13.898 -14.819 1.00 0.00 H new ATOM 0 HB3 LYS A 24 15.388 13.824 -14.095 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.785 14.066 -17.064 1.00 0.00 H new ATOM 0 HG3 LYS A 24 15.359 15.350 -16.019 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.459 14.119 -15.609 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.882 12.773 -16.573 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.733 14.264 -18.565 1.00 0.00 H new ATOM 0 HE3 LYS A 24 17.313 15.609 -17.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 19.092 14.608 -18.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.375 14.401 -17.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.814 13.099 -18.141 1.00 0.00 H new ATOM 363 N HIS A 25 12.723 11.081 -14.360 1.00 0.00 N ATOM 364 CA HIS A 25 11.830 10.379 -13.449 1.00 0.00 C ATOM 365 C HIS A 25 11.336 9.101 -14.117 1.00 0.00 C ATOM 366 O HIS A 25 10.219 9.054 -14.635 1.00 0.00 O ATOM 367 CB HIS A 25 10.632 11.256 -13.053 1.00 0.00 C ATOM 368 CG HIS A 25 10.996 12.633 -12.582 1.00 0.00 C ATOM 369 ND1 HIS A 25 12.120 12.909 -11.830 1.00 0.00 N ATOM 370 CD2 HIS A 25 10.379 13.822 -12.778 1.00 0.00 C ATOM 371 CE1 HIS A 25 12.173 14.205 -11.581 1.00 0.00 C ATOM 372 NE2 HIS A 25 11.130 14.783 -12.146 1.00 0.00 N ATOM 0 H HIS A 25 12.313 11.291 -15.270 1.00 0.00 H new ATOM 0 HA HIS A 25 12.382 10.137 -12.541 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.964 11.344 -13.910 1.00 0.00 H new ATOM 0 HB3 HIS A 25 10.074 10.752 -12.264 1.00 0.00 H new ATOM 0 HD1 HIS A 25 12.803 12.220 -11.516 1.00 0.00 H new ATOM 0 HD2 HIS A 25 9.465 13.985 -13.330 1.00 0.00 H new ATOM 0 HE1 HIS A 25 12.941 14.707 -11.011 1.00 0.00 H new ATOM 380 N PRO A 26 12.179 8.057 -14.145 1.00 0.00 N ATOM 381 CA PRO A 26 11.886 6.817 -14.860 1.00 0.00 C ATOM 382 C PRO A 26 10.910 5.919 -14.106 1.00 0.00 C ATOM 383 O PRO A 26 11.114 5.612 -12.927 1.00 0.00 O ATOM 384 CB PRO A 26 13.258 6.129 -14.984 1.00 0.00 C ATOM 385 CG PRO A 26 14.255 7.076 -14.393 1.00 0.00 C ATOM 386 CD PRO A 26 13.487 7.993 -13.488 1.00 0.00 C ATOM 0 HA PRO A 26 11.406 7.015 -15.819 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.265 5.176 -14.455 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.494 5.916 -16.027 1.00 0.00 H new ATOM 0 HG2 PRO A 26 15.022 6.535 -13.838 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.765 7.640 -15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.414 7.597 -12.475 1.00 0.00 H new ATOM 0 HD3 PRO A 26 13.953 8.975 -13.414 1.00 0.00 H new ATOM 394 N PRO A 27 9.848 5.461 -14.787 1.00 0.00 N ATOM 395 CA PRO A 27 8.828 4.590 -14.193 1.00 0.00 C ATOM 396 C PRO A 27 9.363 3.187 -13.931 1.00 0.00 C ATOM 397 O PRO A 27 8.690 2.355 -13.330 1.00 0.00 O ATOM 398 CB PRO A 27 7.713 4.541 -15.248 1.00 0.00 C ATOM 399 CG PRO A 27 8.058 5.591 -16.253 1.00 0.00 C ATOM 400 CD PRO A 27 9.548 5.757 -16.193 1.00 0.00 C ATOM 0 HA PRO A 27 8.492 4.967 -13.227 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.658 3.557 -15.714 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.740 4.735 -14.798 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.740 5.293 -17.252 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.553 6.529 -16.024 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.060 5.072 -16.869 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.855 6.766 -16.469 1.00 0.00 H new ATOM 408 N GLU A 28 10.586 2.944 -14.378 1.00 0.00 N ATOM 409 CA GLU A 28 11.229 1.645 -14.238 1.00 0.00 C ATOM 410 C GLU A 28 11.316 1.229 -12.773 1.00 0.00 C ATOM 411 O GLU A 28 11.275 0.043 -12.454 1.00 0.00 O ATOM 412 CB GLU A 28 12.637 1.695 -14.835 1.00 0.00 C ATOM 413 CG GLU A 28 12.705 2.372 -16.196 1.00 0.00 C ATOM 414 CD GLU A 28 11.795 1.731 -17.221 1.00 0.00 C ATOM 415 OE1 GLU A 28 12.207 0.728 -17.839 1.00 0.00 O ATOM 416 OE2 GLU A 28 10.674 2.238 -17.423 1.00 0.00 O ATOM 0 H GLU A 28 11.162 3.642 -14.849 1.00 0.00 H new ATOM 0 HA GLU A 28 10.626 0.911 -14.772 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.295 2.222 -14.144 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.019 0.678 -14.926 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.437 3.423 -16.087 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.732 2.341 -16.560 1.00 0.00 H new ATOM 423 N ASN A 29 11.408 2.212 -11.890 1.00 0.00 N ATOM 424 CA ASN A 29 11.621 1.957 -10.467 1.00 0.00 C ATOM 425 C ASN A 29 10.309 1.947 -9.688 1.00 0.00 C ATOM 426 O ASN A 29 10.316 1.785 -8.468 1.00 0.00 O ATOM 427 CB ASN A 29 12.560 2.998 -9.858 1.00 0.00 C ATOM 428 CG ASN A 29 13.940 3.004 -10.489 1.00 0.00 C ATOM 429 OD1 ASN A 29 14.819 2.243 -10.092 1.00 0.00 O ATOM 430 ND2 ASN A 29 14.147 3.882 -11.461 1.00 0.00 N ATOM 0 H ASN A 29 11.338 3.200 -12.133 1.00 0.00 H new ATOM 0 HA ASN A 29 12.076 0.969 -10.392 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.114 3.987 -9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.658 2.808 -8.789 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.062 3.943 -11.907 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.391 4.497 -11.762 1.00 0.00 H new ATOM 437 N ILE A 30 9.186 2.126 -10.380 1.00 0.00 N ATOM 438 CA ILE A 30 7.884 2.199 -9.711 1.00 0.00 C ATOM 439 C ILE A 30 7.556 0.872 -9.018 1.00 0.00 C ATOM 440 O ILE A 30 6.865 0.839 -8.002 1.00 0.00 O ATOM 441 CB ILE A 30 6.748 2.580 -10.700 1.00 0.00 C ATOM 442 CG1 ILE A 30 5.497 3.034 -9.939 1.00 0.00 C ATOM 443 CG2 ILE A 30 6.404 1.412 -11.620 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.380 3.516 -10.842 1.00 0.00 C ATOM 0 H ILE A 30 9.148 2.223 -11.395 1.00 0.00 H new ATOM 0 HA ILE A 30 7.951 2.985 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 30 7.107 3.407 -11.313 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.131 2.206 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.770 3.836 -9.253 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.606 1.708 -12.301 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.286 1.130 -12.195 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.074 0.563 -11.022 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.528 3.821 -10.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.729 4.365 -11.431 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.079 2.710 -11.511 1.00 0.00 H new ATOM 456 N ILE A 31 8.089 -0.213 -9.567 1.00 0.00 N ATOM 457 CA ILE A 31 7.875 -1.545 -9.014 1.00 0.00 C ATOM 458 C ILE A 31 8.900 -1.855 -7.931 1.00 0.00 C ATOM 459 O ILE A 31 8.727 -2.770 -7.133 1.00 0.00 O ATOM 460 CB ILE A 31 7.967 -2.621 -10.114 1.00 0.00 C ATOM 461 CG1 ILE A 31 9.282 -2.467 -10.893 1.00 0.00 C ATOM 462 CG2 ILE A 31 6.763 -2.530 -11.044 1.00 0.00 C ATOM 463 CD1 ILE A 31 9.477 -3.495 -11.985 1.00 0.00 C ATOM 0 H ILE A 31 8.677 -0.196 -10.401 1.00 0.00 H new ATOM 0 HA ILE A 31 6.875 -1.559 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 31 7.960 -3.607 -9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.315 -1.472 -11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.116 -2.533 -10.194 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.841 -3.296 -11.816 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.848 -2.684 -10.471 1.00 0.00 H new ATOM 0 HG23 ILE A 31 6.737 -1.545 -11.511 1.00 0.00 H new ATOM 0 HD11 ILE A 31 10.428 -3.317 -12.487 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.478 -4.494 -11.548 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.665 -3.416 -12.708 1.00 0.00 H new ATOM 475 N ASP A 32 9.968 -1.082 -7.909 1.00 0.00 N ATOM 476 CA ASP A 32 11.041 -1.289 -6.949 1.00 0.00 C ATOM 477 C ASP A 32 10.695 -0.659 -5.613 1.00 0.00 C ATOM 478 O ASP A 32 11.258 -1.023 -4.580 1.00 0.00 O ATOM 479 CB ASP A 32 12.356 -0.702 -7.468 1.00 0.00 C ATOM 480 CG ASP A 32 12.944 -1.505 -8.609 1.00 0.00 C ATOM 481 OD1 ASP A 32 13.690 -2.472 -8.340 1.00 0.00 O ATOM 482 OD2 ASP A 32 12.674 -1.170 -9.777 1.00 0.00 O ATOM 0 H ASP A 32 10.119 -0.301 -8.547 1.00 0.00 H new ATOM 0 HA ASP A 32 11.163 -2.364 -6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.186 0.322 -7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.077 -0.657 -6.651 1.00 0.00 H new ATOM 487 N GLY A 33 9.757 0.279 -5.639 1.00 0.00 N ATOM 488 CA GLY A 33 9.401 0.999 -4.435 1.00 0.00 C ATOM 489 C GLY A 33 10.555 1.839 -3.938 1.00 0.00 C ATOM 490 O GLY A 33 10.901 1.808 -2.756 1.00 0.00 O ATOM 0 H GLY A 33 9.237 0.553 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.541 1.639 -4.632 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.102 0.292 -3.661 1.00 0.00 H new ATOM 494 N ASN A 34 11.171 2.572 -4.855 1.00 0.00 N ATOM 495 CA ASN A 34 12.323 3.398 -4.528 1.00 0.00 C ATOM 496 C ASN A 34 11.878 4.797 -4.125 1.00 0.00 C ATOM 497 O ASN A 34 11.301 5.524 -4.930 1.00 0.00 O ATOM 498 CB ASN A 34 13.275 3.482 -5.723 1.00 0.00 C ATOM 499 CG ASN A 34 14.547 4.247 -5.402 1.00 0.00 C ATOM 500 OD1 ASN A 34 15.038 4.217 -4.274 1.00 0.00 O ATOM 501 ND2 ASN A 34 15.076 4.959 -6.382 1.00 0.00 N ATOM 0 H ASN A 34 10.890 2.611 -5.835 1.00 0.00 H new ATOM 0 HA ASN A 34 12.846 2.938 -3.689 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.534 2.474 -6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 34 12.765 3.965 -6.556 1.00 0.00 H new ATOM 0 HD21 ASN A 34 15.919 5.508 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.641 4.959 -7.305 1.00 0.00 H new ATOM 508 N PRO A 35 12.154 5.201 -2.875 1.00 0.00 N ATOM 509 CA PRO A 35 11.750 6.513 -2.354 1.00 0.00 C ATOM 510 C PRO A 35 12.422 7.672 -3.087 1.00 0.00 C ATOM 511 O PRO A 35 11.976 8.816 -2.994 1.00 0.00 O ATOM 512 CB PRO A 35 12.199 6.476 -0.889 1.00 0.00 C ATOM 513 CG PRO A 35 13.261 5.435 -0.841 1.00 0.00 C ATOM 514 CD PRO A 35 12.874 4.407 -1.862 1.00 0.00 C ATOM 0 HA PRO A 35 10.681 6.681 -2.482 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.581 7.445 -0.568 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.370 6.225 -0.228 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.238 5.862 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.330 4.992 0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.747 3.909 -2.285 1.00 0.00 H new ATOM 0 HD3 PRO A 35 12.241 3.630 -1.433 1.00 0.00 H new ATOM 522 N GLU A 36 13.489 7.373 -3.818 1.00 0.00 N ATOM 523 CA GLU A 36 14.194 8.391 -4.587 1.00 0.00 C ATOM 524 C GLU A 36 13.585 8.538 -5.977 1.00 0.00 C ATOM 525 O GLU A 36 14.015 9.377 -6.769 1.00 0.00 O ATOM 526 CB GLU A 36 15.678 8.045 -4.708 1.00 0.00 C ATOM 527 CG GLU A 36 16.406 7.990 -3.376 1.00 0.00 C ATOM 528 CD GLU A 36 17.887 7.728 -3.541 1.00 0.00 C ATOM 529 OE1 GLU A 36 18.653 8.700 -3.722 1.00 0.00 O ATOM 530 OE2 GLU A 36 18.296 6.551 -3.490 1.00 0.00 O ATOM 0 H GLU A 36 13.884 6.436 -3.894 1.00 0.00 H new ATOM 0 HA GLU A 36 14.094 9.338 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.777 7.080 -5.206 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.163 8.784 -5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 36 16.263 8.932 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.968 7.207 -2.757 1.00 0.00 H new ATOM 537 N THR A 37 12.588 7.717 -6.273 1.00 0.00 N ATOM 538 CA THR A 37 11.931 7.762 -7.565 1.00 0.00 C ATOM 539 C THR A 37 10.456 8.121 -7.411 1.00 0.00 C ATOM 540 O THR A 37 9.682 7.382 -6.802 1.00 0.00 O ATOM 541 CB THR A 37 12.052 6.411 -8.302 1.00 0.00 C ATOM 542 OG1 THR A 37 13.429 6.019 -8.390 1.00 0.00 O ATOM 543 CG2 THR A 37 11.463 6.504 -9.703 1.00 0.00 C ATOM 0 H THR A 37 12.218 7.013 -5.634 1.00 0.00 H new ATOM 0 HA THR A 37 12.430 8.531 -8.155 1.00 0.00 H new ATOM 0 HB THR A 37 11.495 5.665 -7.735 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.566 5.486 -9.201 1.00 0.00 H new ATOM 0 HG21 THR A 37 11.560 5.540 -10.203 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.409 6.775 -9.637 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.998 7.264 -10.273 1.00 0.00 H new ATOM 551 N PHE A 38 10.080 9.266 -7.950 1.00 0.00 N ATOM 552 CA PHE A 38 8.687 9.673 -7.979 1.00 0.00 C ATOM 553 C PHE A 38 8.240 9.871 -9.420 1.00 0.00 C ATOM 554 O PHE A 38 8.885 10.585 -10.193 1.00 0.00 O ATOM 555 CB PHE A 38 8.457 10.941 -7.140 1.00 0.00 C ATOM 556 CG PHE A 38 9.432 12.060 -7.403 1.00 0.00 C ATOM 557 CD1 PHE A 38 10.644 12.111 -6.730 1.00 0.00 C ATOM 558 CD2 PHE A 38 9.136 13.061 -8.315 1.00 0.00 C ATOM 559 CE1 PHE A 38 11.540 13.138 -6.962 1.00 0.00 C ATOM 560 CE2 PHE A 38 10.028 14.089 -8.550 1.00 0.00 C ATOM 561 CZ PHE A 38 11.231 14.128 -7.875 1.00 0.00 C ATOM 0 H PHE A 38 10.723 9.934 -8.376 1.00 0.00 H new ATOM 0 HA PHE A 38 8.082 8.884 -7.532 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.447 11.306 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.508 10.675 -6.084 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.891 11.339 -6.016 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.197 13.037 -8.848 1.00 0.00 H new ATOM 0 HE1 PHE A 38 12.480 13.166 -6.431 1.00 0.00 H new ATOM 0 HE2 PHE A 38 9.784 14.863 -9.263 1.00 0.00 H new ATOM 0 HZ PHE A 38 11.930 14.931 -8.060 1.00 0.00 H new ATOM 571 N TRP A 39 7.153 9.212 -9.782 1.00 0.00 N ATOM 572 CA TRP A 39 6.643 9.261 -11.141 1.00 0.00 C ATOM 573 C TRP A 39 5.531 10.299 -11.248 1.00 0.00 C ATOM 574 O TRP A 39 4.620 10.333 -10.419 1.00 0.00 O ATOM 575 CB TRP A 39 6.141 7.875 -11.554 1.00 0.00 C ATOM 576 CG TRP A 39 5.551 7.820 -12.930 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.224 7.823 -14.119 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.159 7.740 -13.257 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.333 7.754 -15.162 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.061 7.701 -14.658 1.00 0.00 C ATOM 581 CE3 TRP A 39 2.987 7.697 -12.500 1.00 0.00 C ATOM 582 CZ2 TRP A 39 2.838 7.623 -15.316 1.00 0.00 C ATOM 583 CZ3 TRP A 39 1.774 7.618 -13.153 1.00 0.00 C ATOM 584 CH2 TRP A 39 1.708 7.580 -14.549 1.00 0.00 C ATOM 0 H TRP A 39 6.603 8.632 -9.148 1.00 0.00 H new ATOM 0 HA TRP A 39 7.445 9.555 -11.818 1.00 0.00 H new ATOM 0 HB2 TRP A 39 6.970 7.169 -11.498 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.391 7.544 -10.836 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.298 7.872 -14.223 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.579 7.744 -16.152 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.029 7.725 -11.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.784 7.597 -16.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.861 7.585 -12.577 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.744 7.515 -15.031 1.00 0.00 H new ATOM 595 N THR A 40 5.612 11.141 -12.266 1.00 0.00 N ATOM 596 CA THR A 40 4.660 12.222 -12.435 1.00 0.00 C ATOM 597 C THR A 40 4.049 12.187 -13.835 1.00 0.00 C ATOM 598 O THR A 40 4.636 11.636 -14.770 1.00 0.00 O ATOM 599 CB THR A 40 5.328 13.594 -12.174 1.00 0.00 C ATOM 600 OG1 THR A 40 4.352 14.644 -12.200 1.00 0.00 O ATOM 601 CG2 THR A 40 6.415 13.883 -13.202 1.00 0.00 C ATOM 0 H THR A 40 6.330 11.094 -12.989 1.00 0.00 H new ATOM 0 HA THR A 40 3.863 12.085 -11.704 1.00 0.00 H new ATOM 0 HB THR A 40 5.786 13.553 -11.186 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.941 14.731 -11.315 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.865 14.853 -12.992 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.180 13.109 -13.150 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.978 13.894 -14.200 1.00 0.00 H new ATOM 609 N THR A 41 2.865 12.762 -13.966 1.00 0.00 N ATOM 610 CA THR A 41 2.156 12.787 -15.232 1.00 0.00 C ATOM 611 C THR A 41 2.624 13.950 -16.103 1.00 0.00 C ATOM 612 O THR A 41 3.006 15.002 -15.595 1.00 0.00 O ATOM 613 CB THR A 41 0.643 12.917 -14.999 1.00 0.00 C ATOM 614 OG1 THR A 41 0.377 14.092 -14.225 1.00 0.00 O ATOM 615 CG2 THR A 41 0.095 11.695 -14.280 1.00 0.00 C ATOM 0 H THR A 41 2.371 13.222 -13.201 1.00 0.00 H new ATOM 0 HA THR A 41 2.370 11.849 -15.745 1.00 0.00 H new ATOM 0 HB THR A 41 0.150 12.993 -15.968 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.560 14.356 -14.342 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.978 11.813 -14.128 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.280 10.805 -14.882 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.589 11.589 -13.314 1.00 0.00 H new ATOM 623 N THR A 42 2.572 13.765 -17.415 1.00 0.00 N ATOM 624 CA THR A 42 2.941 14.820 -18.350 1.00 0.00 C ATOM 625 C THR A 42 1.724 15.657 -18.740 1.00 0.00 C ATOM 626 O THR A 42 1.747 16.388 -19.731 1.00 0.00 O ATOM 627 CB THR A 42 3.591 14.229 -19.615 1.00 0.00 C ATOM 628 OG1 THR A 42 2.780 13.163 -20.132 1.00 0.00 O ATOM 629 CG2 THR A 42 4.990 13.710 -19.314 1.00 0.00 C ATOM 0 H THR A 42 2.278 12.894 -17.857 1.00 0.00 H new ATOM 0 HA THR A 42 3.664 15.464 -17.849 1.00 0.00 H new ATOM 0 HB THR A 42 3.668 15.020 -20.360 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.199 12.794 -20.937 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.428 13.298 -20.223 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.611 14.528 -18.950 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.933 12.932 -18.553 1.00 0.00 H new ATOM 637 N GLY A 43 0.659 15.540 -17.951 1.00 0.00 N ATOM 638 CA GLY A 43 -0.564 16.276 -18.220 1.00 0.00 C ATOM 639 C GLY A 43 -1.450 15.569 -19.225 1.00 0.00 C ATOM 640 O GLY A 43 -2.546 16.029 -19.539 1.00 0.00 O ATOM 0 H GLY A 43 0.622 14.944 -17.124 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.114 16.416 -17.289 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.313 17.269 -18.594 1.00 0.00 H new ATOM 644 N MET A 44 -0.976 14.437 -19.723 1.00 0.00 N ATOM 645 CA MET A 44 -1.698 13.690 -20.739 1.00 0.00 C ATOM 646 C MET A 44 -2.603 12.639 -20.104 1.00 0.00 C ATOM 647 O MET A 44 -2.155 11.549 -19.750 1.00 0.00 O ATOM 648 CB MET A 44 -0.713 13.036 -21.710 1.00 0.00 C ATOM 649 CG MET A 44 -1.376 12.324 -22.878 1.00 0.00 C ATOM 650 SD MET A 44 -0.175 11.674 -24.056 1.00 0.00 S ATOM 651 CE MET A 44 -1.258 10.908 -25.260 1.00 0.00 C ATOM 0 H MET A 44 -0.092 14.015 -19.438 1.00 0.00 H new ATOM 0 HA MET A 44 -2.329 14.385 -21.293 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.040 13.800 -22.099 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.100 12.320 -21.162 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.990 11.506 -22.501 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.045 13.016 -23.389 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.660 10.460 -26.054 1.00 0.00 H new ATOM 0 HE2 MET A 44 -1.853 10.135 -24.774 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.920 11.662 -25.685 1.00 0.00 H new ATOM 661 N PHE A 45 -3.866 12.998 -19.924 1.00 0.00 N ATOM 662 CA PHE A 45 -4.866 12.073 -19.406 1.00 0.00 C ATOM 663 C PHE A 45 -5.805 11.646 -20.534 1.00 0.00 C ATOM 664 O PHE A 45 -5.964 12.377 -21.510 1.00 0.00 O ATOM 665 CB PHE A 45 -5.660 12.718 -18.263 1.00 0.00 C ATOM 666 CG PHE A 45 -4.832 13.008 -17.041 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.664 12.044 -16.061 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.223 14.242 -16.873 1.00 0.00 C ATOM 669 CE1 PHE A 45 -3.904 12.303 -14.937 1.00 0.00 C ATOM 670 CE2 PHE A 45 -3.462 14.507 -15.751 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.302 13.537 -14.781 1.00 0.00 C ATOM 0 H PHE A 45 -4.225 13.930 -20.131 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.360 11.192 -19.011 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.103 13.648 -18.620 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.482 12.058 -17.986 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.133 11.078 -16.177 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.345 15.005 -17.628 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.780 11.542 -14.181 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.992 15.472 -15.632 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.708 13.742 -13.903 1.00 0.00 H new ATOM 681 N PRO A 46 -6.444 10.466 -20.435 1.00 0.00 N ATOM 682 CA PRO A 46 -6.315 9.560 -19.285 1.00 0.00 C ATOM 683 C PRO A 46 -4.926 8.938 -19.172 1.00 0.00 C ATOM 684 O PRO A 46 -4.204 8.807 -20.162 1.00 0.00 O ATOM 685 CB PRO A 46 -7.365 8.480 -19.557 1.00 0.00 C ATOM 686 CG PRO A 46 -7.559 8.500 -21.033 1.00 0.00 C ATOM 687 CD PRO A 46 -7.355 9.925 -21.459 1.00 0.00 C ATOM 0 HA PRO A 46 -6.460 10.088 -18.343 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.024 7.502 -19.216 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.297 8.693 -19.033 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.848 7.839 -21.529 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.557 8.152 -21.300 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.919 9.987 -22.456 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.297 10.473 -21.488 1.00 0.00 H new ATOM 695 N GLN A 47 -4.569 8.562 -17.957 1.00 0.00 N ATOM 696 CA GLN A 47 -3.250 8.026 -17.661 1.00 0.00 C ATOM 697 C GLN A 47 -3.345 6.544 -17.326 1.00 0.00 C ATOM 698 O GLN A 47 -3.893 6.178 -16.292 1.00 0.00 O ATOM 699 CB GLN A 47 -2.665 8.791 -16.470 1.00 0.00 C ATOM 700 CG GLN A 47 -1.280 8.339 -16.052 1.00 0.00 C ATOM 701 CD GLN A 47 -0.242 8.599 -17.114 1.00 0.00 C ATOM 702 OE1 GLN A 47 0.070 7.733 -17.927 1.00 0.00 O ATOM 703 NE2 GLN A 47 0.285 9.809 -17.125 1.00 0.00 N ATOM 0 H GLN A 47 -5.185 8.619 -17.146 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.605 8.142 -18.532 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.628 9.852 -16.718 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.340 8.686 -15.620 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.994 8.855 -15.135 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.303 7.273 -15.824 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.004 10.497 -16.430 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.981 10.056 -17.828 1.00 0.00 H new ATOM 712 N GLU A 48 -2.812 5.688 -18.184 1.00 0.00 N ATOM 713 CA GLU A 48 -2.857 4.261 -17.918 1.00 0.00 C ATOM 714 C GLU A 48 -1.453 3.686 -17.791 1.00 0.00 C ATOM 715 O GLU A 48 -0.531 4.082 -18.515 1.00 0.00 O ATOM 716 CB GLU A 48 -3.641 3.509 -19.004 1.00 0.00 C ATOM 717 CG GLU A 48 -2.938 3.436 -20.352 1.00 0.00 C ATOM 718 CD GLU A 48 -3.698 2.601 -21.362 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.699 1.356 -21.242 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.304 3.185 -22.285 1.00 0.00 O ATOM 0 H GLU A 48 -2.351 5.951 -19.055 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.377 4.125 -16.970 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.838 2.495 -18.656 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.608 3.994 -19.138 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.808 4.444 -20.745 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.941 3.016 -20.215 1.00 0.00 H new ATOM 727 N PHE A 49 -1.293 2.782 -16.840 1.00 0.00 N ATOM 728 CA PHE A 49 -0.060 2.029 -16.685 1.00 0.00 C ATOM 729 C PHE A 49 -0.369 0.662 -16.095 1.00 0.00 C ATOM 730 O PHE A 49 -1.230 0.532 -15.220 1.00 0.00 O ATOM 731 CB PHE A 49 0.965 2.791 -15.825 1.00 0.00 C ATOM 732 CG PHE A 49 0.504 3.133 -14.433 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.273 4.257 -14.202 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.869 2.342 -13.354 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.682 4.583 -12.923 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.461 2.663 -12.074 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.314 3.785 -11.858 1.00 0.00 C ATOM 0 H PHE A 49 -2.012 2.550 -16.155 1.00 0.00 H new ATOM 0 HA PHE A 49 0.392 1.895 -17.668 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.873 2.192 -15.753 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.232 3.714 -16.339 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.562 4.885 -15.031 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.479 1.466 -13.516 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.289 5.461 -12.757 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.748 2.037 -11.242 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.632 4.038 -10.857 1.00 0.00 H new ATOM 747 N ILE A 50 0.306 -0.359 -16.599 1.00 0.00 N ATOM 748 CA ILE A 50 0.030 -1.728 -16.192 1.00 0.00 C ATOM 749 C ILE A 50 1.170 -2.289 -15.348 1.00 0.00 C ATOM 750 O ILE A 50 2.342 -2.117 -15.672 1.00 0.00 O ATOM 751 CB ILE A 50 -0.181 -2.645 -17.421 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.243 -2.055 -18.352 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.575 -4.051 -16.983 1.00 0.00 C ATOM 754 CD1 ILE A 50 -1.446 -2.847 -19.628 1.00 0.00 C ATOM 0 H ILE A 50 1.049 -0.266 -17.291 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.884 -1.706 -15.598 1.00 0.00 H new ATOM 0 HB ILE A 50 0.760 -2.709 -17.967 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.191 -1.997 -17.817 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.960 -1.034 -18.610 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.718 -4.679 -17.862 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.214 -4.473 -16.361 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.503 -4.008 -16.413 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.213 -2.367 -20.236 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.511 -2.883 -20.187 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.760 -3.861 -19.381 1.00 0.00 H new ATOM 766 N ILE A 51 0.822 -2.944 -14.254 1.00 0.00 N ATOM 767 CA ILE A 51 1.801 -3.665 -13.461 1.00 0.00 C ATOM 768 C ILE A 51 1.499 -5.155 -13.540 1.00 0.00 C ATOM 769 O ILE A 51 0.395 -5.591 -13.206 1.00 0.00 O ATOM 770 CB ILE A 51 1.806 -3.210 -11.983 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.943 -1.685 -11.896 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.946 -3.887 -11.231 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.872 -1.143 -10.482 1.00 0.00 C ATOM 0 H ILE A 51 -0.132 -2.991 -13.895 1.00 0.00 H new ATOM 0 HA ILE A 51 2.790 -3.451 -13.867 1.00 0.00 H new ATOM 0 HB ILE A 51 0.861 -3.500 -11.523 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.893 -1.389 -12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.155 -1.224 -12.492 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.941 -3.560 -10.191 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.817 -4.969 -11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.896 -3.617 -11.691 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.977 -0.058 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.912 -1.407 -10.039 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.677 -1.574 -9.886 1.00 0.00 H new ATOM 785 N CYS A 52 2.462 -5.929 -14.008 1.00 0.00 N ATOM 786 CA CYS A 52 2.253 -7.352 -14.214 1.00 0.00 C ATOM 787 C CYS A 52 3.055 -8.183 -13.220 1.00 0.00 C ATOM 788 O CYS A 52 4.284 -8.130 -13.197 1.00 0.00 O ATOM 789 CB CYS A 52 2.611 -7.740 -15.650 1.00 0.00 C ATOM 790 SG CYS A 52 4.237 -7.173 -16.198 1.00 0.00 S ATOM 0 H CYS A 52 3.395 -5.597 -14.252 1.00 0.00 H new ATOM 0 HA CYS A 52 1.197 -7.563 -14.045 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.570 -8.825 -15.740 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.854 -7.335 -16.322 1.00 0.00 H new ATOM 0 HG CYS A 52 4.782 -6.451 -15.265 1.00 0.00 H new ATOM 796 N PHE A 53 2.340 -8.956 -12.413 1.00 0.00 N ATOM 797 CA PHE A 53 2.956 -9.802 -11.398 1.00 0.00 C ATOM 798 C PHE A 53 3.662 -10.986 -12.046 1.00 0.00 C ATOM 799 O PHE A 53 4.613 -11.531 -11.491 1.00 0.00 O ATOM 800 CB PHE A 53 1.897 -10.317 -10.417 1.00 0.00 C ATOM 801 CG PHE A 53 1.091 -9.229 -9.766 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.538 -8.615 -8.608 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.117 -8.826 -10.310 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.796 -7.618 -8.006 1.00 0.00 C ATOM 805 CE2 PHE A 53 -0.863 -7.830 -9.713 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.405 -7.224 -8.559 1.00 0.00 C ATOM 0 H PHE A 53 1.322 -9.015 -12.443 1.00 0.00 H new ATOM 0 HA PHE A 53 3.687 -9.202 -10.856 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.222 -10.989 -10.946 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.389 -10.905 -9.642 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.477 -8.919 -8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.480 -9.297 -11.212 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.156 -7.147 -7.103 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.804 -7.525 -10.147 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.986 -6.443 -8.091 1.00 0.00 H new ATOM 816 N HIS A 54 3.165 -11.380 -13.223 1.00 0.00 N ATOM 817 CA HIS A 54 3.687 -12.534 -13.971 1.00 0.00 C ATOM 818 C HIS A 54 3.382 -13.846 -13.256 1.00 0.00 C ATOM 819 O HIS A 54 3.837 -14.904 -13.682 1.00 0.00 O ATOM 820 CB HIS A 54 5.204 -12.438 -14.199 1.00 0.00 C ATOM 821 CG HIS A 54 5.639 -11.347 -15.125 1.00 0.00 C ATOM 822 ND1 HIS A 54 5.427 -11.380 -16.485 1.00 0.00 N ATOM 823 CD2 HIS A 54 6.317 -10.203 -14.884 1.00 0.00 C ATOM 824 CE1 HIS A 54 5.958 -10.308 -17.037 1.00 0.00 C ATOM 825 NE2 HIS A 54 6.510 -9.574 -16.089 1.00 0.00 N ATOM 0 H HIS A 54 2.388 -10.909 -13.687 1.00 0.00 H new ATOM 0 HA HIS A 54 3.183 -12.518 -14.937 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.692 -12.291 -13.235 1.00 0.00 H new ATOM 0 HB3 HIS A 54 5.557 -13.391 -14.594 1.00 0.00 H new ATOM 0 HD2 HIS A 54 6.647 -9.848 -13.919 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.944 -10.069 -18.090 1.00 0.00 H new ATOM 0 HE2 HIS A 54 6.998 -8.689 -16.228 1.00 0.00 H new ATOM 833 N LYS A 55 2.608 -13.782 -12.183 1.00 0.00 N ATOM 834 CA LYS A 55 2.356 -14.960 -11.373 1.00 0.00 C ATOM 835 C LYS A 55 0.986 -14.893 -10.713 1.00 0.00 C ATOM 836 O LYS A 55 0.295 -13.875 -10.792 1.00 0.00 O ATOM 837 CB LYS A 55 3.453 -15.113 -10.315 1.00 0.00 C ATOM 838 CG LYS A 55 3.513 -13.983 -9.304 1.00 0.00 C ATOM 839 CD LYS A 55 4.736 -14.116 -8.413 1.00 0.00 C ATOM 840 CE LYS A 55 4.732 -13.087 -7.296 1.00 0.00 C ATOM 841 NZ LYS A 55 6.000 -13.110 -6.523 1.00 0.00 N ATOM 0 H LYS A 55 2.147 -12.933 -11.856 1.00 0.00 H new ATOM 0 HA LYS A 55 2.368 -15.832 -12.027 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.299 -16.052 -9.783 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.417 -15.186 -10.818 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.540 -13.026 -9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.611 -13.989 -8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.767 -15.118 -7.985 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.638 -13.998 -9.013 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.581 -12.093 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.894 -13.280 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.805 -12.872 -5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.422 -14.059 -6.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.662 -12.414 -6.922 1.00 0.00 H new ATOM 855 N HIS A 56 0.607 -15.979 -10.056 1.00 0.00 N ATOM 856 CA HIS A 56 -0.697 -16.080 -9.417 1.00 0.00 C ATOM 857 C HIS A 56 -0.632 -15.583 -7.981 1.00 0.00 C ATOM 858 O HIS A 56 -0.089 -16.255 -7.099 1.00 0.00 O ATOM 859 CB HIS A 56 -1.204 -17.526 -9.444 1.00 0.00 C ATOM 860 CG HIS A 56 -1.603 -18.002 -10.805 1.00 0.00 C ATOM 861 ND1 HIS A 56 -1.004 -19.065 -11.448 1.00 0.00 N ATOM 862 CD2 HIS A 56 -2.572 -17.561 -11.642 1.00 0.00 C ATOM 863 CE1 HIS A 56 -1.585 -19.252 -12.618 1.00 0.00 C ATOM 864 NE2 HIS A 56 -2.541 -18.356 -12.761 1.00 0.00 N ATOM 0 H HIS A 56 1.190 -16.810 -9.951 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.393 -15.453 -9.975 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.425 -18.181 -9.054 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -2.059 -17.614 -8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -3.245 -16.736 -11.462 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -1.321 -20.012 -13.338 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -3.156 -18.268 -13.570 1.00 0.00 H new ATOM 872 N VAL A 57 -1.174 -14.400 -7.752 1.00 0.00 N ATOM 873 CA VAL A 57 -1.201 -13.820 -6.422 1.00 0.00 C ATOM 874 C VAL A 57 -2.626 -13.466 -6.020 1.00 0.00 C ATOM 875 O VAL A 57 -3.432 -13.040 -6.851 1.00 0.00 O ATOM 876 CB VAL A 57 -0.316 -12.554 -6.325 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.144 -12.896 -6.567 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.780 -11.486 -7.306 1.00 0.00 C ATOM 0 H VAL A 57 -1.603 -13.821 -8.474 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.802 -14.572 -5.741 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.415 -12.156 -5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.747 -11.991 -6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.478 -13.616 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.257 -13.327 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.141 -10.608 -7.217 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.722 -11.875 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.810 -11.209 -7.082 1.00 0.00 H new ATOM 888 N ARG A 58 -2.941 -13.668 -4.752 1.00 0.00 N ATOM 889 CA ARG A 58 -4.230 -13.265 -4.225 1.00 0.00 C ATOM 890 C ARG A 58 -4.064 -11.985 -3.423 1.00 0.00 C ATOM 891 O ARG A 58 -3.382 -11.965 -2.395 1.00 0.00 O ATOM 892 CB ARG A 58 -4.853 -14.372 -3.367 1.00 0.00 C ATOM 893 CG ARG A 58 -6.220 -14.002 -2.810 1.00 0.00 C ATOM 894 CD ARG A 58 -6.962 -15.210 -2.258 1.00 0.00 C ATOM 895 NE ARG A 58 -6.252 -15.857 -1.155 1.00 0.00 N ATOM 896 CZ ARG A 58 -6.864 -16.444 -0.123 1.00 0.00 C ATOM 897 NH1 ARG A 58 -8.191 -16.420 -0.028 1.00 0.00 N ATOM 898 NH2 ARG A 58 -6.155 -17.050 0.822 1.00 0.00 N ATOM 0 H ARG A 58 -2.322 -14.108 -4.071 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.910 -13.084 -5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.945 -15.278 -3.966 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.181 -14.603 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.100 -13.260 -2.021 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.817 -13.539 -3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.949 -14.899 -1.916 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.116 -15.933 -3.059 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.232 -15.860 -1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.745 -15.952 -0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.654 -16.870 0.762 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.137 -17.069 0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.628 -17.496 1.608 1.00 0.00 H new ATOM 912 N ILE A 59 -4.691 -10.926 -3.906 1.00 0.00 N ATOM 913 CA ILE A 59 -4.564 -9.611 -3.307 1.00 0.00 C ATOM 914 C ILE A 59 -5.633 -9.418 -2.242 1.00 0.00 C ATOM 915 O ILE A 59 -6.785 -9.813 -2.427 1.00 0.00 O ATOM 916 CB ILE A 59 -4.693 -8.508 -4.387 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.549 -8.628 -5.398 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.717 -7.115 -3.760 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.674 -7.683 -6.573 1.00 0.00 C ATOM 0 H ILE A 59 -5.301 -10.955 -4.723 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.580 -9.535 -2.845 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.640 -8.649 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.604 -8.437 -4.889 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.510 -9.652 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.808 -6.364 -4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.567 -7.036 -3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.793 -6.950 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.829 -7.825 -7.246 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.602 -7.888 -7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.682 -6.654 -6.213 1.00 0.00 H new ATOM 931 N GLU A 60 -5.233 -8.853 -1.115 1.00 0.00 N ATOM 932 CA GLU A 60 -6.154 -8.588 -0.024 1.00 0.00 C ATOM 933 C GLU A 60 -6.299 -7.083 0.163 1.00 0.00 C ATOM 934 O GLU A 60 -7.363 -6.586 0.540 1.00 0.00 O ATOM 935 CB GLU A 60 -5.633 -9.248 1.262 1.00 0.00 C ATOM 936 CG GLU A 60 -6.671 -9.412 2.366 1.00 0.00 C ATOM 937 CD GLU A 60 -6.943 -8.143 3.160 1.00 0.00 C ATOM 938 OE1 GLU A 60 -5.988 -7.576 3.728 1.00 0.00 O ATOM 939 OE2 GLU A 60 -8.121 -7.742 3.270 1.00 0.00 O ATOM 0 H GLU A 60 -4.271 -8.568 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.133 -9.007 -0.256 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.232 -10.230 1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.805 -8.654 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.605 -9.757 1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.336 -10.191 3.051 1.00 0.00 H new ATOM 946 N ARG A 61 -5.236 -6.355 -0.140 1.00 0.00 N ATOM 947 CA ARG A 61 -5.199 -4.937 0.143 1.00 0.00 C ATOM 948 C ARG A 61 -4.235 -4.220 -0.794 1.00 0.00 C ATOM 949 O ARG A 61 -3.238 -4.784 -1.214 1.00 0.00 O ATOM 950 CB ARG A 61 -4.779 -4.752 1.594 1.00 0.00 C ATOM 951 CG ARG A 61 -5.259 -3.465 2.220 1.00 0.00 C ATOM 952 CD ARG A 61 -5.315 -3.605 3.729 1.00 0.00 C ATOM 953 NE ARG A 61 -6.177 -4.713 4.129 1.00 0.00 N ATOM 954 CZ ARG A 61 -7.125 -4.629 5.058 1.00 0.00 C ATOM 955 NH1 ARG A 61 -7.329 -3.493 5.720 1.00 0.00 N ATOM 956 NH2 ARG A 61 -7.875 -5.690 5.317 1.00 0.00 N ATOM 0 H ARG A 61 -4.393 -6.724 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.186 -4.503 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.157 -5.590 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.691 -4.787 1.653 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.590 -2.648 1.948 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.246 -3.211 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.310 -3.765 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.684 -2.678 4.169 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.043 -5.612 3.665 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.755 -2.674 5.517 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.059 -3.441 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.722 -6.559 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.605 -5.637 6.027 1.00 0.00 H new ATOM 970 N LEU A 62 -4.557 -2.988 -1.137 1.00 0.00 N ATOM 971 CA LEU A 62 -3.696 -2.167 -1.971 1.00 0.00 C ATOM 972 C LEU A 62 -3.161 -0.994 -1.165 1.00 0.00 C ATOM 973 O LEU A 62 -3.930 -0.257 -0.544 1.00 0.00 O ATOM 974 CB LEU A 62 -4.465 -1.646 -3.190 1.00 0.00 C ATOM 975 CG LEU A 62 -5.040 -2.718 -4.117 1.00 0.00 C ATOM 976 CD1 LEU A 62 -5.935 -2.093 -5.168 1.00 0.00 C ATOM 977 CD2 LEU A 62 -3.930 -3.513 -4.781 1.00 0.00 C ATOM 0 H LEU A 62 -5.420 -2.528 -0.847 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.864 -2.780 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.284 -1.018 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.800 -1.008 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.637 -3.399 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.334 -2.873 -5.817 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.758 -1.570 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.358 -1.386 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.365 -4.269 -5.435 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.303 -2.842 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.324 -4.000 -4.017 1.00 0.00 H new ATOM 989 N VAL A 63 -1.851 -0.839 -1.159 1.00 0.00 N ATOM 990 CA VAL A 63 -1.207 0.273 -0.483 1.00 0.00 C ATOM 991 C VAL A 63 -0.742 1.284 -1.518 1.00 0.00 C ATOM 992 O VAL A 63 0.300 1.103 -2.153 1.00 0.00 O ATOM 993 CB VAL A 63 0.001 -0.198 0.356 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.631 0.968 1.105 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.420 -1.291 1.324 1.00 0.00 C ATOM 0 H VAL A 63 -1.204 -1.478 -1.621 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.930 0.728 0.194 1.00 0.00 H new ATOM 0 HB VAL A 63 0.750 -0.606 -0.323 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.479 0.610 1.688 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.972 1.718 0.391 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.107 1.413 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.443 -1.612 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.189 -0.907 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.816 -2.139 0.765 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.525 2.332 -1.720 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.219 3.283 -2.774 1.00 0.00 C ATOM 1007 C ILE A 64 -0.918 4.666 -2.209 1.00 0.00 C ATOM 1008 O ILE A 64 -1.732 5.258 -1.499 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.362 3.365 -3.811 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -2.720 1.955 -4.302 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -1.961 4.252 -4.985 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -3.693 1.932 -5.459 1.00 0.00 C ATOM 0 H ILE A 64 -2.363 2.543 -1.178 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.324 2.920 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.237 3.808 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.805 1.443 -4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.145 1.390 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.779 4.296 -5.704 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.741 5.256 -4.623 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.076 3.838 -5.468 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.893 0.900 -5.745 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.624 2.413 -5.161 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.264 2.467 -6.306 1.00 0.00 H new ATOM 1024 N GLN A 65 0.274 5.159 -2.513 1.00 0.00 N ATOM 1025 CA GLN A 65 0.687 6.489 -2.096 1.00 0.00 C ATOM 1026 C GLN A 65 0.805 7.401 -3.310 1.00 0.00 C ATOM 1027 O GLN A 65 1.779 7.331 -4.067 1.00 0.00 O ATOM 1028 CB GLN A 65 2.022 6.420 -1.345 1.00 0.00 C ATOM 1029 CG GLN A 65 2.615 7.783 -1.015 1.00 0.00 C ATOM 1030 CD GLN A 65 3.873 7.695 -0.171 1.00 0.00 C ATOM 1031 OE1 GLN A 65 4.198 8.611 0.578 1.00 0.00 O ATOM 1032 NE2 GLN A 65 4.591 6.585 -0.280 1.00 0.00 N ATOM 0 H GLN A 65 0.976 4.652 -3.051 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.066 6.898 -1.422 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.878 5.863 -0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 65 2.738 5.859 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.843 8.308 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.871 8.378 -0.486 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.291 5.844 -0.913 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.443 6.473 0.269 1.00 0.00 H new ATOM 1041 N SER A 66 -0.200 8.244 -3.488 1.00 0.00 N ATOM 1042 CA SER A 66 -0.251 9.177 -4.600 1.00 0.00 C ATOM 1043 C SER A 66 -1.224 10.298 -4.274 1.00 0.00 C ATOM 1044 O SER A 66 -2.216 10.075 -3.579 1.00 0.00 O ATOM 1045 CB SER A 66 -0.688 8.455 -5.875 1.00 0.00 C ATOM 1046 OG SER A 66 -1.887 7.727 -5.666 1.00 0.00 O ATOM 0 H SER A 66 -1.005 8.300 -2.863 1.00 0.00 H new ATOM 0 HA SER A 66 0.742 9.597 -4.763 1.00 0.00 H new ATOM 0 HB2 SER A 66 -0.835 9.181 -6.675 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.101 7.777 -6.201 1.00 0.00 H new ATOM 0 HG SER A 66 -2.145 7.276 -6.497 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.952 11.493 -4.767 1.00 0.00 N ATOM 1053 CA TYR A 67 -1.816 12.628 -4.491 1.00 0.00 C ATOM 1054 C TYR A 67 -2.276 13.306 -5.769 1.00 0.00 C ATOM 1055 O TYR A 67 -1.665 13.138 -6.827 1.00 0.00 O ATOM 1056 CB TYR A 67 -1.123 13.635 -3.570 1.00 0.00 C ATOM 1057 CG TYR A 67 -1.466 13.432 -2.111 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -2.791 13.333 -1.710 1.00 0.00 C ATOM 1059 CD2 TYR A 67 -0.479 13.349 -1.138 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -3.125 13.155 -0.387 1.00 0.00 C ATOM 1061 CE2 TYR A 67 -0.810 13.169 0.190 1.00 0.00 C ATOM 1062 CZ TYR A 67 -2.132 13.073 0.560 1.00 0.00 C ATOM 1063 OH TYR A 67 -2.460 12.904 1.882 1.00 0.00 O ATOM 0 H TYR A 67 -0.146 11.703 -5.356 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.699 12.244 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.044 13.554 -3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.405 14.645 -3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -3.575 13.397 -2.450 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.560 13.426 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.162 13.080 -0.094 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.033 13.104 0.937 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.811 13.378 2.443 1.00 0.00 H new ATOM 1073 N PHE A 68 -3.381 14.046 -5.649 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.999 14.774 -6.763 1.00 0.00 C ATOM 1075 C PHE A 68 -4.690 13.838 -7.751 1.00 0.00 C ATOM 1076 O PHE A 68 -5.323 14.295 -8.701 1.00 0.00 O ATOM 1077 CB PHE A 68 -2.989 15.680 -7.480 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.651 16.921 -6.702 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -3.448 18.050 -6.802 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -1.547 16.958 -5.865 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -3.152 19.193 -6.083 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -1.244 18.098 -5.144 1.00 0.00 C ATOM 1083 CZ PHE A 68 -2.048 19.216 -5.253 1.00 0.00 C ATOM 0 H PHE A 68 -3.878 14.159 -4.766 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.768 15.411 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.075 15.117 -7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.393 15.966 -8.451 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.312 18.037 -7.450 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.916 16.086 -5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.782 20.066 -6.170 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.380 18.114 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.814 20.107 -4.690 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.595 12.539 -7.511 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.305 11.561 -8.319 1.00 0.00 C ATOM 1095 C VAL A 69 -6.781 11.565 -7.941 1.00 0.00 C ATOM 1096 O VAL A 69 -7.124 11.460 -6.765 1.00 0.00 O ATOM 1097 CB VAL A 69 -4.725 10.141 -8.130 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.461 9.132 -8.999 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.235 10.128 -8.438 1.00 0.00 C ATOM 0 H VAL A 69 -4.032 12.138 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.186 11.836 -9.367 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.865 9.854 -7.088 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.034 8.141 -8.847 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.516 9.118 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.361 9.414 -10.047 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.844 9.120 -8.300 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.074 10.441 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.719 10.813 -7.766 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.649 11.710 -8.931 1.00 0.00 N ATOM 1110 CA GLN A 70 -9.077 11.804 -8.671 1.00 0.00 C ATOM 1111 C GLN A 70 -9.784 10.498 -9.018 1.00 0.00 C ATOM 1112 O GLN A 70 -10.190 9.747 -8.132 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.684 12.959 -9.469 1.00 0.00 C ATOM 1114 CG GLN A 70 -11.159 13.197 -9.187 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.755 14.253 -10.094 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -11.325 14.420 -11.234 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -12.748 14.970 -9.597 1.00 0.00 N ATOM 0 H GLN A 70 -7.391 11.765 -9.916 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.216 11.994 -7.607 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.130 13.871 -9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.556 12.759 -10.533 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.706 12.263 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.283 13.502 -8.148 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -13.074 14.799 -8.646 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.188 15.694 -10.165 1.00 0.00 H new ATOM 1126 N THR A 71 -9.917 10.226 -10.308 1.00 0.00 N ATOM 1127 CA THR A 71 -10.641 9.052 -10.765 1.00 0.00 C ATOM 1128 C THR A 71 -9.683 7.979 -11.265 1.00 0.00 C ATOM 1129 O THR A 71 -9.132 8.078 -12.361 1.00 0.00 O ATOM 1130 CB THR A 71 -11.641 9.420 -11.878 1.00 0.00 C ATOM 1131 OG1 THR A 71 -11.004 10.264 -12.845 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.860 10.125 -11.300 1.00 0.00 C ATOM 0 H THR A 71 -9.532 10.803 -11.056 1.00 0.00 H new ATOM 0 HA THR A 71 -11.194 8.656 -9.913 1.00 0.00 H new ATOM 0 HB THR A 71 -11.972 8.501 -12.361 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.383 11.166 -12.792 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.551 10.375 -12.105 1.00 0.00 H new ATOM 0 HG22 THR A 71 -13.356 9.467 -10.586 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.546 11.038 -10.795 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.472 6.961 -10.447 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.560 5.883 -10.789 1.00 0.00 C ATOM 1142 C LEU A 72 -9.304 4.558 -10.887 1.00 0.00 C ATOM 1143 O LEU A 72 -9.623 3.944 -9.873 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.448 5.795 -9.737 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.530 4.577 -9.845 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.877 4.520 -11.212 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.476 4.614 -8.749 1.00 0.00 C ATOM 0 H LEU A 72 -9.922 6.859 -9.538 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.116 6.094 -11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.837 6.695 -9.804 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.907 5.795 -8.748 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.131 3.677 -9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.228 3.646 -11.269 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.647 4.451 -11.980 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.286 5.422 -11.371 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.829 3.741 -8.837 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.879 5.520 -8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.964 4.607 -7.774 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.577 4.116 -12.103 1.00 0.00 N ATOM 1160 CA LYS A 73 -10.265 2.850 -12.292 1.00 0.00 C ATOM 1161 C LYS A 73 -9.244 1.718 -12.394 1.00 0.00 C ATOM 1162 O LYS A 73 -8.358 1.734 -13.252 1.00 0.00 O ATOM 1163 CB LYS A 73 -11.191 2.877 -13.521 1.00 0.00 C ATOM 1164 CG LYS A 73 -10.473 3.085 -14.844 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.374 2.818 -16.047 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.254 4.009 -16.402 1.00 0.00 C ATOM 1167 NZ LYS A 73 -13.401 4.178 -15.471 1.00 0.00 N ATOM 0 H LYS A 73 -9.337 4.607 -12.964 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.902 2.676 -11.425 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.743 1.938 -13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.924 3.673 -13.391 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.099 4.108 -14.894 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.606 2.426 -14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.756 2.559 -16.907 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.006 1.955 -15.837 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.650 4.916 -16.394 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.631 3.886 -17.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.200 4.609 -15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.687 3.249 -15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.120 4.794 -14.682 1.00 0.00 H new ATOM 1181 N ILE A 74 -9.349 0.764 -11.487 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.437 -0.367 -11.451 1.00 0.00 C ATOM 1183 C ILE A 74 -9.021 -1.529 -12.241 1.00 0.00 C ATOM 1184 O ILE A 74 -10.087 -2.043 -11.903 1.00 0.00 O ATOM 1185 CB ILE A 74 -8.177 -0.817 -9.999 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.763 0.384 -9.140 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -7.104 -1.899 -9.958 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.911 0.141 -7.655 1.00 0.00 C ATOM 0 H ILE A 74 -10.063 0.750 -10.759 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.492 -0.056 -11.897 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.098 -1.235 -9.593 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.725 0.636 -9.358 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.366 1.247 -9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.934 -2.204 -8.925 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.432 -2.759 -10.541 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.177 -1.508 -10.378 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.601 1.031 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.953 -0.082 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.286 -0.702 -7.360 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.336 -1.923 -13.298 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.814 -2.994 -14.155 1.00 0.00 C ATOM 1202 C GLU A 75 -7.911 -4.219 -14.018 1.00 0.00 C ATOM 1203 O GLU A 75 -6.686 -4.096 -13.999 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.864 -2.497 -15.598 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.646 -3.393 -16.535 1.00 0.00 C ATOM 1206 CD GLU A 75 -9.851 -2.760 -17.891 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -8.848 -2.446 -18.557 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -11.017 -2.570 -18.296 1.00 0.00 O ATOM 0 H GLU A 75 -7.445 -1.517 -13.585 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.819 -3.290 -13.854 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.306 -1.501 -15.612 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.845 -2.399 -15.973 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.119 -4.340 -16.654 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.615 -3.621 -16.092 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.518 -5.399 -13.914 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.764 -6.614 -13.621 1.00 0.00 C ATOM 1217 C LYS A 76 -7.642 -7.507 -14.852 1.00 0.00 C ATOM 1218 O LYS A 76 -8.476 -7.458 -15.754 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.443 -7.411 -12.493 1.00 0.00 C ATOM 1220 CG LYS A 76 -9.595 -8.288 -12.973 1.00 0.00 C ATOM 1221 CD LYS A 76 -10.180 -9.137 -11.856 1.00 0.00 C ATOM 1222 CE LYS A 76 -11.124 -8.341 -10.971 1.00 0.00 C ATOM 1223 NZ LYS A 76 -12.320 -7.860 -11.717 1.00 0.00 N ATOM 0 H LYS A 76 -9.522 -5.539 -14.027 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.766 -6.306 -13.309 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.698 -8.039 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.816 -6.715 -11.741 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.378 -7.657 -13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.244 -8.938 -13.774 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.714 -9.984 -12.286 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.372 -9.545 -11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.445 -8.961 -10.134 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.592 -7.488 -10.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.111 -7.727 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.100 -6.955 -12.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.585 -8.562 -12.437 1.00 0.00 H new ATOM 1237 N SER A 77 -6.592 -8.306 -14.878 1.00 0.00 N ATOM 1238 CA SER A 77 -6.442 -9.369 -15.858 1.00 0.00 C ATOM 1239 C SER A 77 -5.782 -10.563 -15.182 1.00 0.00 C ATOM 1240 O SER A 77 -4.919 -10.391 -14.321 1.00 0.00 O ATOM 1241 CB SER A 77 -5.604 -8.901 -17.054 1.00 0.00 C ATOM 1242 OG SER A 77 -5.392 -9.959 -17.978 1.00 0.00 O ATOM 0 H SER A 77 -5.816 -8.237 -14.219 1.00 0.00 H new ATOM 0 HA SER A 77 -7.424 -9.652 -16.237 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.109 -8.074 -17.554 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.644 -8.523 -16.703 1.00 0.00 H new ATOM 0 HG SER A 77 -5.674 -9.674 -18.872 1.00 0.00 H new ATOM 1248 N THR A 78 -6.207 -11.767 -15.536 1.00 0.00 N ATOM 1249 CA THR A 78 -5.625 -12.967 -14.957 1.00 0.00 C ATOM 1250 C THR A 78 -5.080 -13.872 -16.059 1.00 0.00 C ATOM 1251 O THR A 78 -4.887 -15.073 -15.866 1.00 0.00 O ATOM 1252 CB THR A 78 -6.661 -13.735 -14.120 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.666 -12.829 -13.647 1.00 0.00 O ATOM 1254 CG2 THR A 78 -5.996 -14.417 -12.931 1.00 0.00 C ATOM 0 H THR A 78 -6.947 -11.938 -16.216 1.00 0.00 H new ATOM 0 HA THR A 78 -4.809 -12.663 -14.302 1.00 0.00 H new ATOM 0 HB THR A 78 -7.117 -14.498 -14.751 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.326 -13.321 -13.115 1.00 0.00 H new ATOM 0 HG21 THR A 78 -6.748 -14.954 -12.353 1.00 0.00 H new ATOM 0 HG22 THR A 78 -5.243 -15.119 -13.289 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.521 -13.666 -12.300 1.00 0.00 H new ATOM 1262 N SER A 79 -4.818 -13.277 -17.215 1.00 0.00 N ATOM 1263 CA SER A 79 -4.281 -14.010 -18.348 1.00 0.00 C ATOM 1264 C SER A 79 -2.754 -13.939 -18.334 1.00 0.00 C ATOM 1265 O SER A 79 -2.163 -13.335 -17.438 1.00 0.00 O ATOM 1266 CB SER A 79 -4.839 -13.431 -19.653 1.00 0.00 C ATOM 1267 OG SER A 79 -4.511 -14.248 -20.768 1.00 0.00 O ATOM 0 H SER A 79 -4.970 -12.284 -17.391 1.00 0.00 H new ATOM 0 HA SER A 79 -4.580 -15.056 -18.278 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.922 -13.336 -19.576 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.441 -12.428 -19.806 1.00 0.00 H new ATOM 0 HG SER A 79 -4.883 -13.852 -21.584 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.118 -14.566 -19.313 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.670 -14.500 -19.441 1.00 0.00 C ATOM 1275 C LYS A 80 -0.276 -13.390 -20.413 1.00 0.00 C ATOM 1276 O LYS A 80 0.878 -12.971 -20.466 1.00 0.00 O ATOM 1277 CB LYS A 80 -0.102 -15.855 -19.886 1.00 0.00 C ATOM 1278 CG LYS A 80 -0.837 -16.483 -21.059 1.00 0.00 C ATOM 1279 CD LYS A 80 -0.332 -17.888 -21.354 1.00 0.00 C ATOM 1280 CE LYS A 80 1.111 -17.889 -21.834 1.00 0.00 C ATOM 1281 NZ LYS A 80 1.256 -17.265 -23.176 1.00 0.00 N ATOM 0 H LYS A 80 -2.581 -15.125 -20.029 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.243 -14.266 -18.466 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.946 -15.726 -20.155 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.132 -16.544 -19.042 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.905 -16.518 -20.842 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.712 -15.858 -21.943 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.415 -18.499 -20.455 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.966 -18.349 -22.112 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.731 -17.352 -21.116 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.480 -18.914 -21.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.216 -17.437 -23.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.561 -17.680 -23.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.092 -16.241 -23.102 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.254 -12.913 -21.171 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.062 -11.767 -22.050 1.00 0.00 C ATOM 1297 C GLU A 81 -1.680 -10.527 -21.415 1.00 0.00 C ATOM 1298 O GLU A 81 -2.587 -10.643 -20.589 1.00 0.00 O ATOM 1299 CB GLU A 81 -1.710 -12.007 -23.422 1.00 0.00 C ATOM 1300 CG GLU A 81 -0.949 -12.958 -24.333 1.00 0.00 C ATOM 1301 CD GLU A 81 -0.904 -14.377 -23.812 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -1.981 -14.966 -23.587 1.00 0.00 O ATOM 1303 OE2 GLU A 81 0.212 -14.913 -23.643 1.00 0.00 O ATOM 0 H GLU A 81 -2.195 -13.305 -21.195 1.00 0.00 H new ATOM 0 HA GLU A 81 0.009 -11.623 -22.192 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.715 -12.400 -23.269 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.817 -11.048 -23.930 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.413 -12.955 -25.319 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.070 -12.592 -24.459 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.209 -9.324 -21.788 1.00 0.00 N ATOM 1311 CA PRO A 82 -1.791 -8.062 -21.314 1.00 0.00 C ATOM 1312 C PRO A 82 -3.134 -7.756 -21.985 1.00 0.00 C ATOM 1313 O PRO A 82 -3.386 -6.634 -22.426 1.00 0.00 O ATOM 1314 CB PRO A 82 -0.739 -7.024 -21.712 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.061 -7.609 -22.901 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.061 -9.099 -22.690 1.00 0.00 C ATOM 0 HA PRO A 82 -2.008 -8.081 -20.246 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.199 -6.065 -21.951 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.033 -6.845 -20.901 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -0.587 -7.345 -23.819 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.956 -7.229 -22.996 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.179 -9.637 -23.631 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.873 -9.440 -22.243 1.00 0.00 H new ATOM 1324 N VAL A 83 -3.993 -8.764 -22.046 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.308 -8.634 -22.654 1.00 0.00 C ATOM 1326 C VAL A 83 -6.370 -9.231 -21.741 1.00 0.00 C ATOM 1327 O VAL A 83 -6.052 -9.705 -20.650 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.380 -9.327 -24.034 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.477 -8.632 -25.038 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.010 -10.800 -23.920 1.00 0.00 C ATOM 0 H VAL A 83 -3.797 -9.694 -21.675 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.491 -7.569 -22.797 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.408 -9.256 -24.390 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.546 -9.139 -26.001 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.790 -7.594 -25.151 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.447 -8.664 -24.684 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.068 -11.267 -24.903 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.995 -10.891 -23.534 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -5.702 -11.298 -23.241 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.620 -9.213 -22.202 1.00 0.00 N ATOM 1341 CA ASP A 84 -8.756 -9.712 -21.426 1.00 0.00 C ATOM 1342 C ASP A 84 -8.821 -9.013 -20.075 1.00 0.00 C ATOM 1343 O ASP A 84 -8.408 -9.556 -19.049 1.00 0.00 O ATOM 1344 CB ASP A 84 -8.681 -11.235 -21.245 1.00 0.00 C ATOM 1345 CG ASP A 84 -9.952 -11.812 -20.647 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -10.962 -11.905 -21.376 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -9.946 -12.184 -19.454 1.00 0.00 O ATOM 0 H ASP A 84 -7.874 -8.853 -23.122 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.668 -9.489 -21.980 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.492 -11.704 -22.211 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -7.836 -11.480 -20.601 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.305 -7.787 -20.089 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.350 -6.979 -18.887 1.00 0.00 C ATOM 1354 C PHE A 85 -10.766 -6.854 -18.358 1.00 0.00 C ATOM 1355 O PHE A 85 -11.701 -6.559 -19.105 1.00 0.00 O ATOM 1356 CB PHE A 85 -8.767 -5.594 -19.152 1.00 0.00 C ATOM 1357 CG PHE A 85 -7.272 -5.528 -19.032 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -6.678 -5.328 -17.798 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -6.465 -5.657 -20.148 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -5.305 -5.259 -17.677 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -5.089 -5.590 -20.032 1.00 0.00 C ATOM 1362 CZ PHE A 85 -4.509 -5.391 -18.796 1.00 0.00 C ATOM 0 H PHE A 85 -9.674 -7.328 -20.922 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.747 -7.480 -18.129 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -9.055 -5.275 -20.154 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.209 -4.885 -18.452 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.297 -5.225 -16.919 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -6.914 -5.811 -21.118 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.855 -5.102 -16.708 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.468 -5.693 -20.909 1.00 0.00 H new ATOM 0 HZ PHE A 85 -3.434 -5.339 -18.705 1.00 0.00 H new ATOM 1372 N GLU A 86 -10.910 -7.091 -17.070 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.176 -6.944 -16.383 1.00 0.00 C ATOM 1374 C GLU A 86 -12.031 -5.894 -15.288 1.00 0.00 C ATOM 1375 O GLU A 86 -11.209 -6.049 -14.381 1.00 0.00 O ATOM 1376 CB GLU A 86 -12.607 -8.282 -15.776 1.00 0.00 C ATOM 1377 CG GLU A 86 -13.927 -8.222 -15.029 1.00 0.00 C ATOM 1378 CD GLU A 86 -14.212 -9.493 -14.260 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -13.789 -9.586 -13.088 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -14.856 -10.404 -14.818 1.00 0.00 O ATOM 0 H GLU A 86 -10.145 -7.393 -16.466 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.939 -6.626 -17.093 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.685 -9.023 -16.572 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.830 -8.627 -15.094 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.913 -7.378 -14.339 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.735 -8.040 -15.738 1.00 0.00 H new ATOM 1387 N GLN A 87 -12.807 -4.825 -15.382 1.00 0.00 N ATOM 1388 CA GLN A 87 -12.737 -3.739 -14.413 1.00 0.00 C ATOM 1389 C GLN A 87 -12.987 -4.266 -13.004 1.00 0.00 C ATOM 1390 O GLN A 87 -13.915 -5.039 -12.773 1.00 0.00 O ATOM 1391 CB GLN A 87 -13.734 -2.643 -14.786 1.00 0.00 C ATOM 1392 CG GLN A 87 -13.391 -1.970 -16.106 1.00 0.00 C ATOM 1393 CD GLN A 87 -14.468 -1.029 -16.606 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -15.208 -0.428 -15.826 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -14.558 -0.894 -17.918 1.00 0.00 N ATOM 0 H GLN A 87 -13.495 -4.685 -16.122 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.737 -3.307 -14.430 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.734 -3.072 -14.849 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.758 -1.893 -13.995 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.460 -1.414 -15.990 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -13.212 -2.737 -16.859 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.925 -1.411 -18.528 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.261 -0.273 -18.320 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.127 -3.872 -12.077 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.150 -4.413 -10.728 1.00 0.00 C ATOM 1406 C TRP A 88 -12.800 -3.431 -9.766 1.00 0.00 C ATOM 1407 O TRP A 88 -13.917 -3.648 -9.303 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.716 -4.733 -10.286 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.610 -5.488 -8.992 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.612 -6.132 -8.322 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.419 -5.689 -8.219 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -11.117 -6.716 -7.183 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.776 -6.458 -7.097 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.084 -5.291 -8.365 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.849 -6.838 -6.131 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.167 -5.669 -7.405 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.552 -6.437 -6.301 1.00 0.00 C ATOM 0 H TRP A 88 -11.400 -3.175 -12.237 1.00 0.00 H new ATOM 0 HA TRP A 88 -12.742 -5.328 -10.720 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.230 -5.314 -11.070 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.163 -3.799 -10.192 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.643 -6.175 -8.642 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.661 -7.255 -6.509 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.777 -4.698 -9.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -9.143 -7.429 -5.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.135 -5.367 -7.508 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.811 -6.719 -5.568 1.00 0.00 H new ATOM 1428 N ILE A 89 -12.097 -2.347 -9.479 1.00 0.00 N ATOM 1429 CA ILE A 89 -12.575 -1.346 -8.539 1.00 0.00 C ATOM 1430 C ILE A 89 -12.160 0.048 -8.981 1.00 0.00 C ATOM 1431 O ILE A 89 -10.985 0.310 -9.221 1.00 0.00 O ATOM 1432 CB ILE A 89 -12.058 -1.610 -7.102 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -10.580 -2.023 -7.131 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -12.907 -2.670 -6.411 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -9.986 -2.297 -5.765 1.00 0.00 C ATOM 0 H ILE A 89 -11.186 -2.137 -9.887 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.663 -1.414 -8.527 1.00 0.00 H new ATOM 0 HB ILE A 89 -12.142 -0.686 -6.529 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.476 -2.917 -7.746 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.003 -1.234 -7.614 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -12.527 -2.840 -5.404 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -13.941 -2.329 -6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.861 -3.600 -6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.940 -2.582 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.055 -1.399 -5.151 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.535 -3.107 -5.285 1.00 0.00 H new ATOM 1447 N GLU A 90 -13.129 0.937 -9.115 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.833 2.312 -9.466 1.00 0.00 C ATOM 1449 C GLU A 90 -12.738 3.146 -8.201 1.00 0.00 C ATOM 1450 O GLU A 90 -13.739 3.404 -7.530 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.888 2.888 -10.413 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.573 4.305 -10.867 1.00 0.00 C ATOM 1453 CD GLU A 90 -14.544 4.814 -11.907 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.713 5.075 -11.555 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -14.141 4.963 -13.079 1.00 0.00 O ATOM 0 H GLU A 90 -14.120 0.732 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.878 2.338 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.973 2.243 -11.288 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -14.858 2.880 -9.915 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.589 4.971 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.562 4.335 -11.274 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.528 3.554 -7.878 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.269 4.265 -6.646 1.00 0.00 C ATOM 1464 C LYS A 91 -11.153 5.758 -6.885 1.00 0.00 C ATOM 1465 O LYS A 91 -10.298 6.222 -7.639 1.00 0.00 O ATOM 1466 CB LYS A 91 -9.991 3.739 -5.991 1.00 0.00 C ATOM 1467 CG LYS A 91 -10.230 2.566 -5.055 1.00 0.00 C ATOM 1468 CD LYS A 91 -10.978 3.002 -3.803 1.00 0.00 C ATOM 1469 CE LYS A 91 -10.206 4.074 -3.049 1.00 0.00 C ATOM 1470 NZ LYS A 91 -10.952 4.586 -1.869 1.00 0.00 N ATOM 0 H LYS A 91 -10.703 3.403 -8.458 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.112 4.094 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.291 3.436 -6.770 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.518 4.548 -5.434 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.801 1.795 -5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.275 2.121 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.962 3.383 -4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.139 2.141 -3.154 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.249 3.667 -2.722 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -9.986 4.902 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.358 5.264 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.822 5.060 -2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.199 3.793 -1.243 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.041 6.499 -6.249 1.00 0.00 N ATOM 1485 CA ASP A 92 -11.961 7.947 -6.241 1.00 0.00 C ATOM 1486 C ASP A 92 -11.244 8.394 -4.974 1.00 0.00 C ATOM 1487 O ASP A 92 -11.735 8.202 -3.861 1.00 0.00 O ATOM 1488 CB ASP A 92 -13.362 8.574 -6.340 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.301 8.122 -5.237 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -14.687 6.930 -5.227 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.659 8.957 -4.375 1.00 0.00 O ATOM 0 H ASP A 92 -12.831 6.118 -5.728 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.397 8.286 -7.110 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.270 9.660 -6.307 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -13.799 8.320 -7.306 1.00 0.00 H new ATOM 1496 N LEU A 93 -10.058 8.947 -5.144 1.00 0.00 N ATOM 1497 CA LEU A 93 -9.239 9.332 -4.007 1.00 0.00 C ATOM 1498 C LEU A 93 -9.659 10.694 -3.480 1.00 0.00 C ATOM 1499 O LEU A 93 -10.066 11.570 -4.243 1.00 0.00 O ATOM 1500 CB LEU A 93 -7.748 9.344 -4.375 1.00 0.00 C ATOM 1501 CG LEU A 93 -7.083 7.967 -4.524 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -7.568 7.251 -5.776 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -5.570 8.113 -4.550 1.00 0.00 C ATOM 0 H LEU A 93 -9.640 9.140 -6.054 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.391 8.590 -3.223 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.629 9.887 -5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.210 9.905 -3.611 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.366 7.362 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.079 6.280 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.647 7.110 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.326 7.849 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.111 7.130 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -5.280 8.742 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.233 8.572 -3.621 1.00 0.00 H new ATOM 1515 N VAL A 94 -9.589 10.853 -2.170 1.00 0.00 N ATOM 1516 CA VAL A 94 -9.874 12.127 -1.543 1.00 0.00 C ATOM 1517 C VAL A 94 -8.575 12.915 -1.406 1.00 0.00 C ATOM 1518 O VAL A 94 -7.503 12.328 -1.259 1.00 0.00 O ATOM 1519 CB VAL A 94 -10.541 11.938 -0.160 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -9.598 11.239 0.805 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -11.015 13.269 0.409 1.00 0.00 C ATOM 0 H VAL A 94 -9.336 10.110 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 94 -10.575 12.679 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.417 11.304 -0.296 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -10.090 11.118 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -9.331 10.260 0.408 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.696 11.838 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -11.479 13.104 1.381 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.164 13.940 0.523 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -11.742 13.716 -0.269 1.00 0.00 H new ATOM 1531 N HIS A 95 -8.656 14.230 -1.483 1.00 0.00 N ATOM 1532 CA HIS A 95 -7.458 15.047 -1.417 1.00 0.00 C ATOM 1533 C HIS A 95 -7.170 15.476 0.016 1.00 0.00 C ATOM 1534 O HIS A 95 -8.069 15.886 0.749 1.00 0.00 O ATOM 1535 CB HIS A 95 -7.575 16.280 -2.333 1.00 0.00 C ATOM 1536 CG HIS A 95 -8.472 17.370 -1.813 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -9.803 17.482 -2.147 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -8.203 18.417 -0.996 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -10.311 18.554 -1.568 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -9.361 19.138 -0.864 1.00 0.00 N ATOM 0 H HIS A 95 -9.527 14.751 -1.590 1.00 0.00 H new ATOM 0 HA HIS A 95 -6.624 14.439 -1.769 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.579 16.693 -2.491 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -7.945 15.958 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -7.253 18.642 -0.535 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -11.332 18.895 -1.656 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -9.470 19.988 -0.311 1.00 0.00 H new ATOM 1548 N THR A 96 -5.919 15.354 0.409 1.00 0.00 N ATOM 1549 CA THR A 96 -5.451 15.937 1.647 1.00 0.00 C ATOM 1550 C THR A 96 -4.260 16.840 1.365 1.00 0.00 C ATOM 1551 O THR A 96 -3.261 16.414 0.785 1.00 0.00 O ATOM 1552 CB THR A 96 -5.084 14.865 2.686 1.00 0.00 C ATOM 1553 OG1 THR A 96 -5.091 13.565 2.078 1.00 0.00 O ATOM 1554 CG2 THR A 96 -6.067 14.895 3.843 1.00 0.00 C ATOM 0 H THR A 96 -5.204 14.852 -0.117 1.00 0.00 H new ATOM 0 HA THR A 96 -6.263 16.527 2.072 1.00 0.00 H new ATOM 0 HB THR A 96 -4.084 15.077 3.065 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.172 13.298 1.866 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.795 14.131 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.040 15.875 4.318 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.073 14.700 3.471 1.00 0.00 H new ATOM 1562 N GLU A 97 -4.385 18.091 1.759 1.00 0.00 N ATOM 1563 CA GLU A 97 -3.414 19.108 1.398 1.00 0.00 C ATOM 1564 C GLU A 97 -2.458 19.381 2.552 1.00 0.00 C ATOM 1565 O GLU A 97 -2.880 19.738 3.654 1.00 0.00 O ATOM 1566 CB GLU A 97 -4.144 20.386 0.984 1.00 0.00 C ATOM 1567 CG GLU A 97 -3.225 21.504 0.529 1.00 0.00 C ATOM 1568 CD GLU A 97 -3.993 22.717 0.056 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -4.760 23.291 0.860 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -3.845 23.098 -1.123 1.00 0.00 O ATOM 0 H GLU A 97 -5.156 18.431 2.334 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.821 18.748 0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -4.838 20.150 0.178 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -4.740 20.740 1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -2.568 21.789 1.351 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.587 21.142 -0.278 1.00 0.00 H new ATOM 1577 N GLY A 98 -1.171 19.181 2.297 1.00 0.00 N ATOM 1578 CA GLY A 98 -0.158 19.423 3.307 1.00 0.00 C ATOM 1579 C GLY A 98 0.125 18.189 4.138 1.00 0.00 C ATOM 1580 O GLY A 98 1.225 18.019 4.663 1.00 0.00 O ATOM 0 H GLY A 98 -0.809 18.853 1.402 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.762 19.754 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.484 20.232 3.960 1.00 0.00 H new ATOM 1584 N GLN A 99 -0.876 17.329 4.254 1.00 0.00 N ATOM 1585 CA GLN A 99 -0.755 16.107 5.034 1.00 0.00 C ATOM 1586 C GLN A 99 -0.500 14.935 4.098 1.00 0.00 C ATOM 1587 O GLN A 99 -1.145 14.823 3.059 1.00 0.00 O ATOM 1588 CB GLN A 99 -2.038 15.866 5.834 1.00 0.00 C ATOM 1589 CG GLN A 99 -2.653 17.134 6.418 1.00 0.00 C ATOM 1590 CD GLN A 99 -1.806 17.785 7.499 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -0.580 17.673 7.515 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -2.459 18.497 8.403 1.00 0.00 N ATOM 0 H GLN A 99 -1.787 17.457 3.814 1.00 0.00 H new ATOM 0 HA GLN A 99 0.079 16.204 5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.771 15.383 5.188 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -1.822 15.172 6.646 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.814 17.852 5.614 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.632 16.894 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -3.476 18.568 8.359 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -1.946 18.975 9.144 1.00 0.00 H new ATOM 1601 N LEU A 100 0.439 14.071 4.452 1.00 0.00 N ATOM 1602 CA LEU A 100 0.777 12.934 3.602 1.00 0.00 C ATOM 1603 C LEU A 100 0.119 11.664 4.138 1.00 0.00 C ATOM 1604 O LEU A 100 0.457 11.187 5.224 1.00 0.00 O ATOM 1605 CB LEU A 100 2.307 12.774 3.521 1.00 0.00 C ATOM 1606 CG LEU A 100 2.845 11.905 2.370 1.00 0.00 C ATOM 1607 CD1 LEU A 100 2.577 10.427 2.612 1.00 0.00 C ATOM 1608 CD2 LEU A 100 2.251 12.341 1.043 1.00 0.00 C ATOM 0 H LEU A 100 0.979 14.132 5.315 1.00 0.00 H new ATOM 0 HA LEU A 100 0.399 13.112 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.750 13.766 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.656 12.349 4.462 1.00 0.00 H new ATOM 0 HG LEU A 100 3.925 12.046 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.971 9.845 1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.065 10.115 3.535 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.503 10.261 2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.645 11.713 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.166 12.242 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.514 13.381 0.851 1.00 0.00 H new ATOM 1620 N GLN A 101 -0.830 11.134 3.383 1.00 0.00 N ATOM 1621 CA GLN A 101 -1.526 9.913 3.758 1.00 0.00 C ATOM 1622 C GLN A 101 -1.515 8.915 2.607 1.00 0.00 C ATOM 1623 O GLN A 101 -1.567 9.300 1.440 1.00 0.00 O ATOM 1624 CB GLN A 101 -2.973 10.222 4.157 1.00 0.00 C ATOM 1625 CG GLN A 101 -3.104 10.971 5.474 1.00 0.00 C ATOM 1626 CD GLN A 101 -2.700 10.130 6.671 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -2.192 10.648 7.667 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -2.955 8.830 6.601 1.00 0.00 N ATOM 0 H GLN A 101 -1.139 11.535 2.497 1.00 0.00 H new ATOM 0 HA GLN A 101 -1.007 9.476 4.611 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -3.439 10.812 3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -3.528 9.286 4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -2.485 11.868 5.440 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -4.136 11.300 5.599 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -3.377 8.438 5.759 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -2.730 8.223 7.389 1.00 0.00 H new ATOM 1637 N ASN A 102 -1.433 7.637 2.947 1.00 0.00 N ATOM 1638 CA ASN A 102 -1.505 6.572 1.954 1.00 0.00 C ATOM 1639 C ASN A 102 -2.911 5.991 1.942 1.00 0.00 C ATOM 1640 O ASN A 102 -3.526 5.840 2.996 1.00 0.00 O ATOM 1641 CB ASN A 102 -0.492 5.460 2.267 1.00 0.00 C ATOM 1642 CG ASN A 102 0.954 5.877 2.049 1.00 0.00 C ATOM 1643 OD1 ASN A 102 1.301 7.049 2.144 1.00 0.00 O ATOM 1644 ND2 ASN A 102 1.813 4.907 1.762 1.00 0.00 N ATOM 0 H ASN A 102 -1.316 7.310 3.906 1.00 0.00 H new ATOM 0 HA ASN A 102 -1.265 6.990 0.976 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -0.619 5.145 3.303 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -0.710 4.594 1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 102 2.798 5.126 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.488 3.943 1.691 1.00 0.00 H new ATOM 1651 N GLU A 103 -3.410 5.650 0.762 1.00 0.00 N ATOM 1652 CA GLU A 103 -4.756 5.109 0.637 1.00 0.00 C ATOM 1653 C GLU A 103 -4.708 3.589 0.700 1.00 0.00 C ATOM 1654 O GLU A 103 -4.176 2.929 -0.196 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.404 5.559 -0.682 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.790 4.966 -0.931 1.00 0.00 C ATOM 1657 CD GLU A 103 -7.923 5.762 -0.300 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -7.934 5.934 0.935 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -8.836 6.192 -1.044 1.00 0.00 O ATOM 0 H GLU A 103 -2.905 5.738 -0.120 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.359 5.487 1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.480 6.646 -0.684 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.749 5.284 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.959 4.901 -2.006 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.814 3.948 -0.543 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.226 3.050 1.788 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.333 1.614 1.962 1.00 0.00 C ATOM 1668 C GLU A 104 -6.653 1.124 1.376 1.00 0.00 C ATOM 1669 O GLU A 104 -7.730 1.387 1.916 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.242 1.249 3.444 1.00 0.00 C ATOM 1671 CG GLU A 104 -5.208 -0.246 3.692 1.00 0.00 C ATOM 1672 CD GLU A 104 -5.184 -0.600 5.162 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -4.101 -0.549 5.773 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -6.250 -0.951 5.708 1.00 0.00 O ATOM 0 H GLU A 104 -5.583 3.594 2.574 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.509 1.130 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.345 1.701 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.095 1.678 3.970 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.080 -0.706 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.328 -0.669 3.207 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.564 0.427 0.259 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.744 -0.041 -0.446 1.00 0.00 C ATOM 1683 C ILE A 105 -7.979 -1.524 -0.187 1.00 0.00 C ATOM 1684 O ILE A 105 -7.220 -2.361 -0.654 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.598 0.187 -1.965 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.274 1.654 -2.252 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -8.868 -0.233 -2.693 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -6.942 1.934 -3.701 1.00 0.00 C ATOM 0 H ILE A 105 -5.681 0.171 -0.183 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.596 0.528 -0.074 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.776 -0.428 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.125 2.268 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.432 1.959 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.746 -0.065 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -9.059 -1.291 -2.511 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.709 0.356 -2.327 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -6.724 2.995 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.072 1.347 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -7.791 1.662 -4.328 1.00 0.00 H new ATOM 1700 N VAL A 106 -9.012 -1.850 0.574 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.358 -3.248 0.805 1.00 0.00 C ATOM 1702 C VAL A 106 -9.871 -3.885 -0.493 1.00 0.00 C ATOM 1703 O VAL A 106 -10.979 -3.604 -0.953 1.00 0.00 O ATOM 1704 CB VAL A 106 -10.389 -3.398 1.952 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -11.592 -2.488 1.737 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -10.826 -4.850 2.105 1.00 0.00 C ATOM 0 H VAL A 106 -9.621 -1.176 1.038 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.457 -3.776 1.117 1.00 0.00 H new ATOM 0 HB VAL A 106 -9.902 -3.091 2.878 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -12.297 -2.617 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.261 -1.450 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -12.080 -2.746 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -11.550 -4.929 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.283 -5.192 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -9.958 -5.469 2.332 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.041 -4.731 -1.091 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.319 -5.264 -2.418 1.00 0.00 C ATOM 1718 C ALA A 107 -8.940 -6.737 -2.518 1.00 0.00 C ATOM 1719 O ALA A 107 -7.763 -7.080 -2.515 1.00 0.00 O ATOM 1720 CB ALA A 107 -8.565 -4.456 -3.460 1.00 0.00 C ATOM 0 H ALA A 107 -8.170 -5.063 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.391 -5.185 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.774 -4.856 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.884 -3.415 -3.414 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.495 -4.516 -3.263 1.00 0.00 H new ATOM 1726 N HIS A 108 -9.943 -7.598 -2.604 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.718 -9.040 -2.681 1.00 0.00 C ATOM 1728 C HIS A 108 -9.907 -9.551 -4.103 1.00 0.00 C ATOM 1729 O HIS A 108 -11.024 -9.566 -4.620 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.666 -9.782 -1.735 1.00 0.00 C ATOM 1731 CG HIS A 108 -10.369 -9.562 -0.285 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -10.182 -10.592 0.603 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -10.235 -8.422 0.431 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -9.946 -10.099 1.802 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -9.969 -8.781 1.729 1.00 0.00 N ATOM 0 H HIS A 108 -10.926 -7.325 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.688 -9.231 -2.379 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -11.689 -9.465 -1.939 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.615 -10.850 -1.949 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.321 -7.415 0.051 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.764 -10.677 2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -9.815 -8.138 2.506 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.812 -9.951 -4.739 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.897 -10.502 -6.078 1.00 0.00 C ATOM 1745 C GLY A 109 -7.612 -11.180 -6.516 1.00 0.00 C ATOM 1746 O GLY A 109 -6.541 -10.903 -5.973 1.00 0.00 O ATOM 0 H GLY A 109 -7.869 -9.904 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.715 -11.222 -6.119 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -9.139 -9.704 -6.780 1.00 0.00 H new ATOM 1750 N SER A 110 -7.719 -12.082 -7.484 1.00 0.00 N ATOM 1751 CA SER A 110 -6.553 -12.709 -8.086 1.00 0.00 C ATOM 1752 C SER A 110 -6.303 -12.111 -9.462 1.00 0.00 C ATOM 1753 O SER A 110 -7.187 -12.127 -10.323 1.00 0.00 O ATOM 1754 CB SER A 110 -6.760 -14.219 -8.212 1.00 0.00 C ATOM 1755 OG SER A 110 -6.996 -14.815 -6.946 1.00 0.00 O ATOM 0 H SER A 110 -8.609 -12.396 -7.870 1.00 0.00 H new ATOM 0 HA SER A 110 -5.690 -12.527 -7.446 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.603 -14.419 -8.873 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.881 -14.672 -8.671 1.00 0.00 H new ATOM 0 HG SER A 110 -7.126 -15.780 -7.058 1.00 0.00 H new ATOM 1761 N ALA A 111 -5.110 -11.579 -9.667 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.778 -10.940 -10.928 1.00 0.00 C ATOM 1763 C ALA A 111 -3.311 -11.133 -11.269 1.00 0.00 C ATOM 1764 O ALA A 111 -2.465 -11.244 -10.382 1.00 0.00 O ATOM 1765 CB ALA A 111 -5.117 -9.457 -10.874 1.00 0.00 C ATOM 0 H ALA A 111 -4.357 -11.577 -8.978 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.372 -11.410 -11.712 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.863 -8.991 -11.826 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.183 -9.334 -10.683 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.548 -8.983 -10.074 1.00 0.00 H new ATOM 1771 N THR A 112 -3.026 -11.192 -12.557 1.00 0.00 N ATOM 1772 CA THR A 112 -1.663 -11.287 -13.046 1.00 0.00 C ATOM 1773 C THR A 112 -1.231 -9.951 -13.641 1.00 0.00 C ATOM 1774 O THR A 112 -0.052 -9.590 -13.614 1.00 0.00 O ATOM 1775 CB THR A 112 -1.546 -12.390 -14.112 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.646 -12.281 -15.022 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.545 -13.773 -13.475 1.00 0.00 C ATOM 0 H THR A 112 -3.732 -11.175 -13.293 1.00 0.00 H new ATOM 0 HA THR A 112 -1.012 -11.539 -12.209 1.00 0.00 H new ATOM 0 HB THR A 112 -0.603 -12.261 -14.644 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.361 -12.565 -15.915 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.461 -14.532 -14.253 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.700 -13.858 -12.792 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.473 -13.920 -12.923 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.206 -9.226 -14.179 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.982 -7.902 -14.740 1.00 0.00 C ATOM 1787 C TYR A 113 -2.963 -6.911 -14.123 1.00 0.00 C ATOM 1788 O TYR A 113 -4.164 -7.170 -14.077 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.173 -7.914 -16.265 1.00 0.00 C ATOM 1790 CG TYR A 113 -1.114 -8.675 -17.036 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -1.097 -10.065 -17.058 1.00 0.00 C ATOM 1792 CD2 TYR A 113 -0.135 -7.997 -17.753 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.134 -10.757 -17.769 1.00 0.00 C ATOM 1794 CE2 TYR A 113 0.829 -8.682 -18.467 1.00 0.00 C ATOM 1795 CZ TYR A 113 0.828 -10.061 -18.470 1.00 0.00 C ATOM 1796 OH TYR A 113 1.792 -10.744 -19.176 1.00 0.00 O ATOM 0 H TYR A 113 -3.174 -9.542 -14.238 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.958 -7.604 -14.515 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -3.147 -8.347 -16.491 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.192 -6.884 -16.622 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.849 -10.614 -16.510 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -0.128 -6.917 -17.752 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.135 -11.837 -17.775 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.581 -8.139 -19.021 1.00 0.00 H new ATOM 0 HH TYR A 113 1.366 -11.428 -19.733 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.456 -5.793 -13.632 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.314 -4.734 -13.113 1.00 0.00 C ATOM 1808 C LEU A 114 -3.063 -3.433 -13.854 1.00 0.00 C ATOM 1809 O LEU A 114 -1.947 -2.916 -13.850 1.00 0.00 O ATOM 1810 CB LEU A 114 -3.087 -4.521 -11.615 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.675 -5.596 -10.699 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -3.412 -5.250 -9.243 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -5.170 -5.751 -10.946 1.00 0.00 C ATOM 0 H LEU A 114 -1.457 -5.592 -13.581 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.348 -5.043 -13.268 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.014 -4.461 -11.433 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.512 -3.557 -11.334 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.189 -6.545 -10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.836 -6.024 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.337 -5.187 -9.072 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.874 -4.291 -9.008 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.570 -6.520 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.672 -4.804 -10.747 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.339 -6.040 -11.983 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.094 -2.906 -14.493 1.00 0.00 N ATOM 1826 CA ARG A 115 -3.969 -1.648 -15.207 1.00 0.00 C ATOM 1827 C ARG A 115 -4.673 -0.534 -14.448 1.00 0.00 C ATOM 1828 O ARG A 115 -5.884 -0.582 -14.233 1.00 0.00 O ATOM 1829 CB ARG A 115 -4.529 -1.758 -16.631 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.404 -0.463 -17.422 1.00 0.00 C ATOM 1831 CD ARG A 115 -4.657 -0.667 -18.909 1.00 0.00 C ATOM 1832 NE ARG A 115 -6.039 -1.038 -19.205 1.00 0.00 N ATOM 1833 CZ ARG A 115 -6.669 -0.699 -20.330 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -6.068 0.071 -21.228 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -7.909 -1.109 -20.543 1.00 0.00 N ATOM 0 H ARG A 115 -5.022 -3.328 -14.532 1.00 0.00 H new ATOM 0 HA ARG A 115 -2.908 -1.409 -15.280 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.005 -2.553 -17.161 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.579 -2.047 -16.581 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.112 0.268 -17.032 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.406 -0.048 -17.279 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -4.410 0.250 -19.444 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -3.990 -1.444 -19.283 1.00 0.00 H new ATOM 0 HE ARG A 115 -6.550 -1.586 -18.513 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.120 0.406 -21.059 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -6.554 0.327 -22.087 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.383 -1.684 -19.847 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -8.391 -0.850 -21.404 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.899 0.451 -14.030 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.442 1.623 -13.370 1.00 0.00 C ATOM 1851 C PHE A 116 -4.779 2.683 -14.406 1.00 0.00 C ATOM 1852 O PHE A 116 -3.895 3.165 -15.117 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.439 2.188 -12.363 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.231 1.330 -11.145 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -4.031 1.495 -10.026 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -2.228 0.373 -11.113 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -3.836 0.723 -8.898 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -2.030 -0.404 -9.986 1.00 0.00 C ATOM 1859 CZ PHE A 116 -2.835 -0.226 -8.877 1.00 0.00 C ATOM 0 H PHE A 116 -2.885 0.461 -14.137 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.346 1.333 -12.835 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.480 2.327 -12.863 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.778 3.174 -12.045 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -4.816 2.236 -10.036 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -1.595 0.233 -11.977 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -4.467 0.862 -8.033 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -1.248 -1.148 -9.973 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.681 -0.829 -7.995 1.00 0.00 H new ATOM 1869 N ILE A 117 -6.053 3.025 -14.510 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.490 4.022 -15.473 1.00 0.00 C ATOM 1871 C ILE A 117 -7.017 5.267 -14.766 1.00 0.00 C ATOM 1872 O ILE A 117 -8.134 5.275 -14.242 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.583 3.464 -16.411 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -7.115 2.160 -17.063 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -7.944 4.493 -17.477 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.186 1.477 -17.886 1.00 0.00 C ATOM 0 H ILE A 117 -6.801 2.628 -13.941 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.620 4.289 -16.073 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.473 3.253 -15.818 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.257 2.370 -17.701 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -6.774 1.476 -16.285 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.715 4.085 -18.130 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.316 5.398 -16.998 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.059 4.732 -18.066 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.784 0.560 -18.318 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.036 1.235 -17.248 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.510 2.143 -18.686 1.00 0.00 H new ATOM 1888 N ILE A 118 -6.196 6.303 -14.729 1.00 0.00 N ATOM 1889 CA ILE A 118 -6.589 7.579 -14.162 1.00 0.00 C ATOM 1890 C ILE A 118 -7.291 8.411 -15.226 1.00 0.00 C ATOM 1891 O ILE A 118 -6.671 8.835 -16.201 1.00 0.00 O ATOM 1892 CB ILE A 118 -5.371 8.365 -13.628 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -4.570 7.508 -12.644 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.826 9.658 -12.960 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -3.287 8.159 -12.172 1.00 0.00 C ATOM 0 H ILE A 118 -5.242 6.282 -15.090 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.261 7.382 -13.326 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.726 8.617 -14.469 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.194 7.286 -11.778 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -4.331 6.556 -13.117 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.957 10.201 -12.589 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -6.357 10.275 -13.685 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.490 9.424 -12.128 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -2.775 7.493 -11.478 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.642 8.356 -13.029 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -3.519 9.098 -11.669 1.00 0.00 H new ATOM 1907 N VAL A 119 -8.582 8.623 -15.049 1.00 0.00 N ATOM 1908 CA VAL A 119 -9.373 9.362 -16.020 1.00 0.00 C ATOM 1909 C VAL A 119 -9.124 10.858 -15.879 1.00 0.00 C ATOM 1910 O VAL A 119 -8.760 11.534 -16.841 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.878 9.071 -15.852 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.687 9.761 -16.940 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -11.136 7.572 -15.856 1.00 0.00 C ATOM 0 H VAL A 119 -9.108 8.293 -14.240 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.066 9.036 -17.014 1.00 0.00 H new ATOM 0 HB VAL A 119 -11.198 9.471 -14.890 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.746 9.541 -16.801 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.529 10.838 -16.883 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.367 9.399 -17.917 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -12.203 7.386 -15.736 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.797 7.147 -16.801 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.592 7.107 -15.034 1.00 0.00 H new ATOM 1923 N SER A 120 -9.316 11.365 -14.673 1.00 0.00 N ATOM 1924 CA SER A 120 -9.089 12.768 -14.390 1.00 0.00 C ATOM 1925 C SER A 120 -8.404 12.930 -13.038 1.00 0.00 C ATOM 1926 O SER A 120 -8.381 12.000 -12.223 1.00 0.00 O ATOM 1927 CB SER A 120 -10.419 13.533 -14.414 1.00 0.00 C ATOM 1928 OG SER A 120 -11.350 12.981 -13.495 1.00 0.00 O ATOM 0 H SER A 120 -9.631 10.820 -13.870 1.00 0.00 H new ATOM 0 HA SER A 120 -8.436 13.181 -15.159 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.242 14.581 -14.171 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.838 13.506 -15.420 1.00 0.00 H new ATOM 0 HG SER A 120 -11.436 13.575 -12.720 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.848 14.106 -12.803 1.00 0.00 N ATOM 1935 CA ALA A 121 -7.174 14.397 -11.551 1.00 0.00 C ATOM 1936 C ALA A 121 -7.685 15.711 -10.971 1.00 0.00 C ATOM 1937 O ALA A 121 -8.431 16.434 -11.633 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.667 14.449 -11.764 1.00 0.00 C ATOM 0 H ALA A 121 -7.851 14.879 -13.468 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.391 13.601 -10.839 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -5.173 14.668 -10.817 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.319 13.487 -12.141 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -5.428 15.229 -12.487 1.00 0.00 H new ATOM 1944 N PHE A 122 -7.297 16.011 -9.734 1.00 0.00 N ATOM 1945 CA PHE A 122 -7.674 17.275 -9.106 1.00 0.00 C ATOM 1946 C PHE A 122 -6.982 18.428 -9.821 1.00 0.00 C ATOM 1947 O PHE A 122 -7.566 19.493 -10.028 1.00 0.00 O ATOM 1948 CB PHE A 122 -7.297 17.290 -7.620 1.00 0.00 C ATOM 1949 CG PHE A 122 -8.030 16.280 -6.778 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -9.392 16.398 -6.552 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -7.349 15.226 -6.195 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -10.058 15.482 -5.760 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -8.010 14.305 -5.406 1.00 0.00 C ATOM 1954 CZ PHE A 122 -9.364 14.434 -5.186 1.00 0.00 C ATOM 0 H PHE A 122 -6.725 15.401 -9.150 1.00 0.00 H new ATOM 0 HA PHE A 122 -8.755 17.386 -9.185 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.226 17.111 -7.528 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.489 18.285 -7.220 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.939 17.215 -7.000 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -6.287 15.122 -6.359 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.120 15.585 -5.590 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.466 13.484 -4.962 1.00 0.00 H new ATOM 0 HZ PHE A 122 -9.882 13.717 -4.566 1.00 0.00 H new ATOM 1964 N ASP A 123 -5.739 18.191 -10.208 1.00 0.00 N ATOM 1965 CA ASP A 123 -4.952 19.168 -10.941 1.00 0.00 C ATOM 1966 C ASP A 123 -4.549 18.555 -12.281 1.00 0.00 C ATOM 1967 O ASP A 123 -5.020 17.473 -12.633 1.00 0.00 O ATOM 1968 CB ASP A 123 -3.717 19.580 -10.121 1.00 0.00 C ATOM 1969 CG ASP A 123 -3.043 20.836 -10.650 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -2.170 20.719 -11.536 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -3.389 21.946 -10.188 1.00 0.00 O ATOM 0 H ASP A 123 -5.248 17.316 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 123 -5.539 20.069 -11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -4.014 19.743 -9.085 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -2.998 18.761 -10.122 1.00 0.00 H new ATOM 1976 N HIS A 124 -3.698 19.228 -13.033 1.00 0.00 N ATOM 1977 CA HIS A 124 -3.281 18.723 -14.333 1.00 0.00 C ATOM 1978 C HIS A 124 -1.995 17.922 -14.200 1.00 0.00 C ATOM 1979 O HIS A 124 -1.535 17.297 -15.154 1.00 0.00 O ATOM 1980 CB HIS A 124 -3.099 19.868 -15.333 1.00 0.00 C ATOM 1981 CG HIS A 124 -4.366 20.618 -15.616 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -5.552 19.994 -15.931 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -4.634 21.946 -15.611 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -6.493 20.900 -16.107 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -5.964 22.093 -15.919 1.00 0.00 N ATOM 0 H HIS A 124 -3.282 20.122 -12.770 1.00 0.00 H new ATOM 0 HA HIS A 124 -4.065 18.066 -14.711 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -2.353 20.563 -14.947 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -2.707 19.466 -16.267 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.933 22.741 -15.404 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -7.523 20.699 -16.362 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -6.462 22.980 -15.991 1.00 0.00 H new ATOM 1993 N PHE A 125 -1.418 17.947 -13.009 1.00 0.00 N ATOM 1994 CA PHE A 125 -0.218 17.186 -12.722 1.00 0.00 C ATOM 1995 C PHE A 125 -0.421 16.315 -11.488 1.00 0.00 C ATOM 1996 O PHE A 125 -0.746 16.818 -10.412 1.00 0.00 O ATOM 1997 CB PHE A 125 0.978 18.119 -12.515 1.00 0.00 C ATOM 1998 CG PHE A 125 1.274 19.002 -13.698 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.012 18.521 -14.769 1.00 0.00 C ATOM 2000 CD2 PHE A 125 0.812 20.309 -13.740 1.00 0.00 C ATOM 2001 CE1 PHE A 125 2.283 19.326 -15.860 1.00 0.00 C ATOM 2002 CE2 PHE A 125 1.080 21.119 -14.828 1.00 0.00 C ATOM 2003 CZ PHE A 125 1.817 20.627 -15.890 1.00 0.00 C ATOM 0 H PHE A 125 -1.767 18.492 -12.221 1.00 0.00 H new ATOM 0 HA PHE A 125 -0.012 16.542 -13.577 1.00 0.00 H new ATOM 0 HB2 PHE A 125 0.791 18.746 -11.644 1.00 0.00 H new ATOM 0 HB3 PHE A 125 1.860 17.519 -12.292 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.379 17.506 -14.751 1.00 0.00 H new ATOM 0 HD2 PHE A 125 0.236 20.699 -12.913 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.858 18.939 -16.688 1.00 0.00 H new ATOM 0 HE2 PHE A 125 0.714 22.135 -14.849 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.028 21.258 -16.741 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.244 15.017 -11.653 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.350 14.078 -10.548 1.00 0.00 C ATOM 2015 C ALA A 126 0.953 13.313 -10.391 1.00 0.00 C ATOM 2016 O ALA A 126 1.723 13.188 -11.345 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.509 13.120 -10.777 1.00 0.00 C ATOM 0 H ALA A 126 -0.024 14.585 -12.550 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.542 14.633 -9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.576 12.423 -9.941 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.438 13.685 -10.853 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.345 12.565 -11.700 1.00 0.00 H new ATOM 2023 N SER A 127 1.209 12.809 -9.192 1.00 0.00 N ATOM 2024 CA SER A 127 2.433 12.072 -8.923 1.00 0.00 C ATOM 2025 C SER A 127 2.171 10.908 -7.969 1.00 0.00 C ATOM 2026 O SER A 127 1.378 11.024 -7.028 1.00 0.00 O ATOM 2027 CB SER A 127 3.496 13.007 -8.334 1.00 0.00 C ATOM 2028 OG SER A 127 3.761 14.096 -9.206 1.00 0.00 O ATOM 0 H SER A 127 0.584 12.898 -8.391 1.00 0.00 H new ATOM 0 HA SER A 127 2.799 11.666 -9.866 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.158 13.384 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.415 12.450 -8.154 1.00 0.00 H new ATOM 0 HG SER A 127 4.441 14.677 -8.806 1.00 0.00 H new ATOM 2034 N VAL A 128 2.829 9.784 -8.227 1.00 0.00 N ATOM 2035 CA VAL A 128 2.724 8.616 -7.370 1.00 0.00 C ATOM 2036 C VAL A 128 4.095 8.308 -6.766 1.00 0.00 C ATOM 2037 O VAL A 128 5.123 8.483 -7.426 1.00 0.00 O ATOM 2038 CB VAL A 128 2.180 7.387 -8.145 1.00 0.00 C ATOM 2039 CG1 VAL A 128 3.197 6.864 -9.150 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.742 6.284 -7.192 1.00 0.00 C ATOM 0 H VAL A 128 3.445 9.660 -9.030 1.00 0.00 H new ATOM 0 HA VAL A 128 2.014 8.834 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 128 1.304 7.718 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.781 6.003 -9.674 1.00 0.00 H new ATOM 0 HG12 VAL A 128 3.433 7.648 -9.870 1.00 0.00 H new ATOM 0 HG13 VAL A 128 4.106 6.566 -8.627 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.366 5.436 -7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.592 5.965 -6.589 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.954 6.659 -6.539 1.00 0.00 H new ATOM 2050 N HIS A 129 4.113 7.895 -5.509 1.00 0.00 N ATOM 2051 CA HIS A 129 5.372 7.634 -4.822 1.00 0.00 C ATOM 2052 C HIS A 129 5.601 6.133 -4.657 1.00 0.00 C ATOM 2053 O HIS A 129 6.736 5.670 -4.677 1.00 0.00 O ATOM 2054 CB HIS A 129 5.380 8.332 -3.456 1.00 0.00 C ATOM 2055 CG HIS A 129 6.712 8.327 -2.758 1.00 0.00 C ATOM 2056 ND1 HIS A 129 7.481 9.455 -2.597 1.00 0.00 N ATOM 2057 CD2 HIS A 129 7.391 7.327 -2.148 1.00 0.00 C ATOM 2058 CE1 HIS A 129 8.574 9.151 -1.922 1.00 0.00 C ATOM 2059 NE2 HIS A 129 8.545 7.862 -1.633 1.00 0.00 N ATOM 0 H HIS A 129 3.278 7.734 -4.945 1.00 0.00 H new ATOM 0 HA HIS A 129 6.185 8.034 -5.427 1.00 0.00 H new ATOM 0 HB2 HIS A 129 5.058 9.365 -3.589 1.00 0.00 H new ATOM 0 HB3 HIS A 129 4.645 7.849 -2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 129 7.244 10.384 -2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.081 6.295 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 129 9.360 9.840 -1.651 1.00 0.00 H new ATOM 2067 N SER A 130 4.519 5.377 -4.491 1.00 0.00 N ATOM 2068 CA SER A 130 4.628 3.936 -4.299 1.00 0.00 C ATOM 2069 C SER A 130 3.263 3.269 -4.424 1.00 0.00 C ATOM 2070 O SER A 130 2.268 3.775 -3.900 1.00 0.00 O ATOM 2071 CB SER A 130 5.237 3.627 -2.925 1.00 0.00 C ATOM 2072 OG SER A 130 5.501 2.243 -2.775 1.00 0.00 O ATOM 0 H SER A 130 3.564 5.736 -4.486 1.00 0.00 H new ATOM 0 HA SER A 130 5.281 3.538 -5.076 1.00 0.00 H new ATOM 0 HB2 SER A 130 6.162 4.191 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 130 4.555 3.956 -2.141 1.00 0.00 H new ATOM 0 HG SER A 130 5.890 2.078 -1.891 1.00 0.00 H new ATOM 2078 N VAL A 131 3.225 2.146 -5.128 1.00 0.00 N ATOM 2079 CA VAL A 131 2.012 1.346 -5.257 1.00 0.00 C ATOM 2080 C VAL A 131 2.349 -0.124 -5.051 1.00 0.00 C ATOM 2081 O VAL A 131 3.063 -0.720 -5.855 1.00 0.00 O ATOM 2082 CB VAL A 131 1.342 1.507 -6.641 1.00 0.00 C ATOM 2083 CG1 VAL A 131 0.096 0.639 -6.740 1.00 0.00 C ATOM 2084 CG2 VAL A 131 0.993 2.961 -6.915 1.00 0.00 C ATOM 0 H VAL A 131 4.030 1.764 -5.624 1.00 0.00 H new ATOM 0 HA VAL A 131 1.313 1.699 -4.499 1.00 0.00 H new ATOM 0 HB VAL A 131 2.057 1.179 -7.396 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -0.360 0.767 -7.722 1.00 0.00 H new ATOM 0 HG12 VAL A 131 0.369 -0.407 -6.601 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -0.615 0.934 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 131 0.523 3.044 -7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 131 0.304 3.320 -6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.901 3.563 -6.896 1.00 0.00 H new ATOM 2094 N SER A 132 1.855 -0.701 -3.973 1.00 0.00 N ATOM 2095 CA SER A 132 2.110 -2.099 -3.692 1.00 0.00 C ATOM 2096 C SER A 132 0.816 -2.835 -3.365 1.00 0.00 C ATOM 2097 O SER A 132 -0.144 -2.239 -2.875 1.00 0.00 O ATOM 2098 CB SER A 132 3.115 -2.228 -2.549 1.00 0.00 C ATOM 2099 OG SER A 132 2.692 -1.512 -1.404 1.00 0.00 O ATOM 0 H SER A 132 1.277 -0.225 -3.280 1.00 0.00 H new ATOM 0 HA SER A 132 2.536 -2.560 -4.583 1.00 0.00 H new ATOM 0 HB2 SER A 132 3.245 -3.280 -2.294 1.00 0.00 H new ATOM 0 HB3 SER A 132 4.087 -1.856 -2.874 1.00 0.00 H new ATOM 0 HG SER A 132 2.964 -1.996 -0.596 1.00 0.00 H new ATOM 2105 N ALA A 133 0.783 -4.127 -3.660 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.393 -4.932 -3.391 1.00 0.00 C ATOM 2107 C ALA A 133 -0.061 -5.995 -2.361 1.00 0.00 C ATOM 2108 O ALA A 133 0.775 -6.855 -2.608 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.903 -5.576 -4.671 1.00 0.00 C ATOM 0 H ALA A 133 1.558 -4.637 -4.085 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.179 -4.288 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.786 -6.176 -4.450 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.163 -4.799 -5.390 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -0.126 -6.215 -5.092 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.702 -5.931 -1.213 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.456 -6.892 -0.158 1.00 0.00 C ATOM 2117 C GLU A 134 -1.452 -8.032 -0.234 1.00 0.00 C ATOM 2118 O GLU A 134 -2.570 -7.873 -0.735 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.512 -6.232 1.218 1.00 0.00 C ATOM 2120 CG GLU A 134 0.686 -5.349 1.508 1.00 0.00 C ATOM 2121 CD GLU A 134 0.730 -4.892 2.948 1.00 0.00 C ATOM 2122 OE1 GLU A 134 0.985 -5.734 3.830 1.00 0.00 O ATOM 2123 OE2 GLU A 134 0.500 -3.695 3.210 1.00 0.00 O ATOM 0 H GLU A 134 -1.399 -5.222 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 134 0.548 -7.292 -0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.421 -5.635 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -0.578 -7.006 1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.601 -5.894 1.275 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.658 -4.478 0.854 1.00 0.00 H new ATOM 2130 N GLY A 135 -1.037 -9.177 0.262 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.841 -10.365 0.173 1.00 0.00 C ATOM 2132 C GLY A 135 -0.974 -11.590 0.262 1.00 0.00 C ATOM 2133 O GLY A 135 -0.018 -11.617 1.034 1.00 0.00 O ATOM 0 H GLY A 135 -0.141 -9.305 0.733 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -2.578 -10.374 0.976 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -2.393 -10.369 -0.767 1.00 0.00 H new ATOM 2137 N THR A 136 -1.269 -12.591 -0.541 1.00 0.00 N ATOM 2138 CA THR A 136 -0.513 -13.827 -0.494 1.00 0.00 C ATOM 2139 C THR A 136 -0.316 -14.402 -1.892 1.00 0.00 C ATOM 2140 O THR A 136 -1.274 -14.567 -2.651 1.00 0.00 O ATOM 2141 CB THR A 136 -1.215 -14.861 0.411 1.00 0.00 C ATOM 2142 OG1 THR A 136 -2.610 -14.929 0.081 1.00 0.00 O ATOM 2143 CG2 THR A 136 -1.051 -14.492 1.878 1.00 0.00 C ATOM 0 H THR A 136 -2.021 -12.575 -1.230 1.00 0.00 H new ATOM 0 HA THR A 136 0.467 -13.602 -0.074 1.00 0.00 H new ATOM 0 HB THR A 136 -0.754 -15.835 0.245 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.714 -14.969 -0.893 1.00 0.00 H new ATOM 0 HG21 THR A 136 -1.554 -15.234 2.498 1.00 0.00 H new ATOM 0 HG22 THR A 136 0.009 -14.466 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 136 -1.491 -13.511 2.058 1.00 0.00 H new ATOM 2151 N VAL A 137 0.933 -14.676 -2.236 1.00 0.00 N ATOM 2152 CA VAL A 137 1.255 -15.296 -3.509 1.00 0.00 C ATOM 2153 C VAL A 137 0.950 -16.790 -3.453 1.00 0.00 C ATOM 2154 O VAL A 137 1.313 -17.474 -2.492 1.00 0.00 O ATOM 2155 CB VAL A 137 2.736 -15.055 -3.903 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.680 -15.484 -2.788 1.00 0.00 C ATOM 2157 CG2 VAL A 137 3.079 -15.774 -5.201 1.00 0.00 C ATOM 0 H VAL A 137 1.742 -14.477 -1.648 1.00 0.00 H new ATOM 0 HA VAL A 137 0.634 -14.834 -4.277 1.00 0.00 H new ATOM 0 HB VAL A 137 2.865 -13.984 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.710 -15.303 -3.094 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.463 -14.911 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.543 -16.546 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 137 4.123 -15.589 -5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 137 2.920 -16.845 -5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 137 2.440 -15.403 -6.002 1.00 0.00 H new ATOM 2167 N VAL A 138 0.255 -17.285 -4.465 1.00 0.00 N ATOM 2168 CA VAL A 138 -0.140 -18.685 -4.500 1.00 0.00 C ATOM 2169 C VAL A 138 0.866 -19.505 -5.299 1.00 0.00 C ATOM 2170 O VAL A 138 1.372 -20.523 -4.826 1.00 0.00 O ATOM 2171 CB VAL A 138 -1.546 -18.855 -5.111 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.985 -20.310 -5.066 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -2.552 -17.967 -4.397 1.00 0.00 C ATOM 0 H VAL A 138 -0.047 -16.739 -5.272 1.00 0.00 H new ATOM 0 HA VAL A 138 -0.163 -19.045 -3.471 1.00 0.00 H new ATOM 0 HB VAL A 138 -1.500 -18.549 -6.156 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.979 -20.404 -5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -1.281 -20.920 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -2.010 -20.651 -4.031 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -3.537 -18.102 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.591 -18.237 -3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -2.250 -16.924 -4.493 1.00 0.00 H new ATOM 2183 N SER A 139 1.149 -19.056 -6.513 1.00 0.00 N ATOM 2184 CA SER A 139 2.094 -19.736 -7.385 1.00 0.00 C ATOM 2185 C SER A 139 2.682 -18.737 -8.374 1.00 0.00 C ATOM 2186 O SER A 139 2.196 -17.612 -8.476 1.00 0.00 O ATOM 2187 CB SER A 139 1.400 -20.874 -8.139 1.00 0.00 C ATOM 2188 OG SER A 139 0.707 -21.737 -7.250 1.00 0.00 O ATOM 0 H SER A 139 0.734 -18.217 -6.918 1.00 0.00 H new ATOM 0 HA SER A 139 2.895 -20.160 -6.780 1.00 0.00 H new ATOM 0 HB2 SER A 139 0.701 -20.459 -8.864 1.00 0.00 H new ATOM 0 HB3 SER A 139 2.140 -21.445 -8.700 1.00 0.00 H new ATOM 0 HG SER A 139 0.273 -22.452 -7.760 1.00 0.00 H new