USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 928 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 63 MET CE :methyl -130:sc= -4.43 (180deg=-4.51!) USER MOD Set 1.2: A 151 THR OG1 : rot -81:sc= -0.746 USER MOD Set 2.1: A 132 HIS : no HE2:sc= -1.62 K(o=-0.4,f=-2.4) USER MOD Set 2.2: A 135 THR OG1 : rot 155:sc= 1.22 USER MOD Set 3.1: A 93 MET CE :methyl 150:sc= -2.02 (180deg=-4.77!) USER MOD Set 3.2: A 110 MET CE :methyl -118:sc= -4.52! (180deg=-7.33!) USER MOD Set 4.1: A 41 GLN : amide:sc= -1.52 K(o=-0.64,f=-3.3) USER MOD Set 4.2: A 84 LYS NZ :NH3+ 179:sc= 0.887 (180deg=0) USER MOD Set 5.1: A 72 ASN : amide:sc= -3.2! C(o=-3.5!,f=-7.5!) USER MOD Set 5.2: A 114 LYS NZ :NH3+ -156:sc= -0.284 (180deg=-0.247) USER MOD Set 6.1: A 65 SER OG : rot 67:sc= 1.37 USER MOD Set 6.2: A 67 HIS : no HD1:sc= 0.674 K(o=2.2,f=-2.7!) USER MOD Set 6.3: A 111 THR OG1 : rot -104:sc= 0.173 USER MOD Set 7.1: A 45 LYS NZ :NH3+ 173:sc= 1.32 (180deg=0) USER MOD Set 7.2: A 146 SER OG : rot -25:sc= 2.12 USER MOD Set 8.1: A 35 SER OG : rot 68:sc= 0.299 USER MOD Set 8.2: A 154 LYS NZ :NH3+ -173:sc= 1.16 (180deg=0.975) USER MOD Set 9.1: A 33 GLN : amide:sc= -0.184 X(o=-0.6,f=-0.7) USER MOD Set 9.2: A 68 ASN : amide:sc= -0.412 X(o=-0.6,f=-0.57) USER MOD Single : A 28 THR OG1 : rot 25:sc= 0.432 USER MOD Single : A 31 GLN : amide:sc= -0.0209 K(o=-0.021,f=-1.2!) USER MOD Single : A 36 CYS SG : rot -49:sc= -5.94! USER MOD Single : A 37 TYR OH : rot 30:sc= -0.123 USER MOD Single : A 48 SER OG : rot -67:sc= 1.25 USER MOD Single : A 54 ASN : amide:sc= -2.11! X(o=-2.1!,f=-2.1) USER MOD Single : A 55 GLN : amide:sc= -3.74 X(o=-3.7,f=-3.9!) USER MOD Single : A 57 THR OG1 : rot -4:sc= -1.34! USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.342 F(o=-1,f=-0.34) USER MOD Single : A 78 THR OG1 : rot -180:sc= 1.73 USER MOD Single : A 80 LYS NZ :NH3+ 145:sc= 0.184 (180deg=-1.23!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.11) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0246 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0648 USER MOD Single : A 103 LYS NZ :NH3+ -174:sc= 0.611 (180deg=0.436) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0739 K(o=-0.074,f=-0.99) USER MOD Single : A 116 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 127 THR OG1 : rot 51:sc= -0.117 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN :FLIP amide:sc= -1.74 F(o=-2.3!,f=-1.7) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 132:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 28 0.292 -15.263 -3.165 1.00 0.00 N ATOM 79 CA THR A 28 0.515 -13.889 -3.550 1.00 0.00 C ATOM 80 C THR A 28 0.520 -13.030 -2.274 1.00 0.00 C ATOM 81 O THR A 28 0.986 -11.889 -2.261 1.00 0.00 O ATOM 82 CB THR A 28 -0.633 -13.412 -4.443 1.00 0.00 C ATOM 83 OG1 THR A 28 -0.939 -14.437 -5.408 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.238 -12.133 -5.167 1.00 0.00 C ATOM 0 HA THR A 28 1.460 -13.804 -4.087 1.00 0.00 H new ATOM 0 HB THR A 28 -1.509 -13.211 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.661 -15.309 -5.058 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.062 -11.803 -5.799 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.008 -11.357 -4.436 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.640 -12.321 -5.785 1.00 0.00 H new ATOM 92 N TRP A 29 0.000 -13.617 -1.218 1.00 0.00 N ATOM 93 CA TRP A 29 -0.135 -12.991 0.049 1.00 0.00 C ATOM 94 C TRP A 29 1.113 -13.232 0.882 1.00 0.00 C ATOM 95 O TRP A 29 1.607 -14.360 0.985 1.00 0.00 O ATOM 96 CB TRP A 29 -1.354 -13.544 0.756 1.00 0.00 C ATOM 97 CG TRP A 29 -2.656 -13.178 0.155 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.214 -13.690 -0.950 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.570 -12.242 0.662 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.418 -13.108 -1.185 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.655 -12.203 -0.201 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.560 -11.430 1.757 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.727 -11.366 0.005 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.646 -10.589 1.969 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.706 -10.567 1.088 1.00 0.00 C ATOM 0 H TRP A 29 -0.348 -14.576 -1.234 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.259 -11.917 -0.088 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.277 -14.631 0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.341 -13.200 1.790 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.769 -14.457 -1.567 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.039 -13.315 -1.967 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.727 -11.440 2.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.560 -11.350 -0.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.660 -9.944 2.835 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.534 -9.897 1.270 1.00 0.00 H new ATOM 116 N ILE A 30 1.600 -12.181 1.454 1.00 0.00 N ATOM 117 CA ILE A 30 2.820 -12.167 2.213 1.00 0.00 C ATOM 118 C ILE A 30 2.538 -11.931 3.696 1.00 0.00 C ATOM 119 O ILE A 30 2.016 -10.899 4.077 1.00 0.00 O ATOM 120 CB ILE A 30 3.732 -11.069 1.625 1.00 0.00 C ATOM 121 CG1 ILE A 30 4.059 -11.462 0.186 1.00 0.00 C ATOM 122 CG2 ILE A 30 5.004 -10.864 2.446 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.937 -10.511 -0.512 1.00 0.00 C ATOM 0 H ILE A 30 1.146 -11.269 1.407 1.00 0.00 H new ATOM 0 HA ILE A 30 3.320 -13.133 2.144 1.00 0.00 H new ATOM 0 HB ILE A 30 3.210 -10.113 1.653 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.533 -12.444 0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.128 -11.558 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.610 -10.081 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.738 -10.571 3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.573 -11.793 2.474 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.121 -10.863 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.458 -9.533 -0.548 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.884 -10.432 0.021 1.00 0.00 H new ATOM 135 N GLN A 31 2.854 -12.908 4.504 1.00 0.00 N ATOM 136 CA GLN A 31 2.623 -12.856 5.937 1.00 0.00 C ATOM 137 C GLN A 31 3.738 -12.113 6.649 1.00 0.00 C ATOM 138 O GLN A 31 4.930 -12.419 6.463 1.00 0.00 O ATOM 139 CB GLN A 31 2.516 -14.271 6.485 1.00 0.00 C ATOM 140 CG GLN A 31 2.325 -14.363 7.989 1.00 0.00 C ATOM 141 CD GLN A 31 2.414 -15.785 8.471 1.00 0.00 C ATOM 142 OE1 GLN A 31 3.124 -16.604 7.898 1.00 0.00 O ATOM 143 NE2 GLN A 31 1.731 -16.088 9.523 1.00 0.00 N ATOM 0 H GLN A 31 3.285 -13.777 4.189 1.00 0.00 H new ATOM 0 HA GLN A 31 1.692 -12.318 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.680 -14.772 5.996 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.419 -14.819 6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.082 -13.760 8.490 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.355 -13.946 8.260 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.150 -15.382 9.975 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.772 -17.034 9.903 1.00 0.00 H new ATOM 152 N PHE A 32 3.348 -11.160 7.463 1.00 0.00 N ATOM 153 CA PHE A 32 4.250 -10.377 8.240 1.00 0.00 C ATOM 154 C PHE A 32 3.520 -9.847 9.480 1.00 0.00 C ATOM 155 O PHE A 32 2.472 -9.200 9.355 1.00 0.00 O ATOM 156 CB PHE A 32 4.736 -9.236 7.385 1.00 0.00 C ATOM 157 CG PHE A 32 5.755 -8.350 8.005 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.097 -8.679 7.965 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.376 -7.169 8.587 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.041 -7.836 8.501 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.311 -6.318 9.116 1.00 0.00 C ATOM 162 CZ PHE A 32 7.651 -6.657 9.072 1.00 0.00 C ATOM 0 H PHE A 32 2.368 -10.910 7.599 1.00 0.00 H new ATOM 0 HA PHE A 32 5.100 -10.975 8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.152 -9.648 6.465 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.877 -8.628 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.407 -9.607 7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.329 -6.906 8.629 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.087 -8.104 8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.002 -5.386 9.566 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.390 -5.989 9.489 1.00 0.00 H new ATOM 172 N GLN A 33 4.057 -10.168 10.651 1.00 0.00 N ATOM 173 CA GLN A 33 3.540 -9.742 11.956 1.00 0.00 C ATOM 174 C GLN A 33 2.056 -10.027 12.120 1.00 0.00 C ATOM 175 O GLN A 33 1.220 -9.111 12.210 1.00 0.00 O ATOM 176 CB GLN A 33 3.924 -8.292 12.285 1.00 0.00 C ATOM 177 CG GLN A 33 5.421 -8.112 12.503 1.00 0.00 C ATOM 178 CD GLN A 33 5.841 -6.675 12.748 1.00 0.00 C ATOM 179 OE1 GLN A 33 5.082 -5.858 13.265 1.00 0.00 O ATOM 180 NE2 GLN A 33 7.063 -6.361 12.401 1.00 0.00 N ATOM 0 H GLN A 33 4.891 -10.750 10.726 1.00 0.00 H new ATOM 0 HA GLN A 33 4.034 -10.359 12.707 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.599 -7.642 11.473 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.390 -7.974 13.181 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.729 -8.720 13.354 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.953 -8.491 11.631 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.668 -7.062 11.974 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.410 -5.415 12.558 1.00 0.00 H new ATOM 189 N ASP A 34 1.745 -11.326 12.045 1.00 0.00 N ATOM 190 CA ASP A 34 0.383 -11.898 12.162 1.00 0.00 C ATOM 191 C ASP A 34 -0.610 -11.239 11.217 1.00 0.00 C ATOM 192 O ASP A 34 -1.825 -11.260 11.441 1.00 0.00 O ATOM 193 CB ASP A 34 -0.147 -11.886 13.603 1.00 0.00 C ATOM 194 CG ASP A 34 0.692 -12.698 14.582 1.00 0.00 C ATOM 195 OD1 ASP A 34 1.081 -13.847 14.280 1.00 0.00 O ATOM 196 OD2 ASP A 34 0.969 -12.194 15.690 1.00 0.00 O ATOM 0 H ASP A 34 2.456 -12.042 11.896 1.00 0.00 H new ATOM 0 HA ASP A 34 0.483 -12.941 11.862 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.196 -10.855 13.952 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.166 -12.273 13.607 1.00 0.00 H new ATOM 201 N SER A 35 -0.106 -10.690 10.153 1.00 0.00 N ATOM 202 CA SER A 35 -0.921 -10.101 9.149 1.00 0.00 C ATOM 203 C SER A 35 -0.493 -10.634 7.814 1.00 0.00 C ATOM 204 O SER A 35 0.571 -11.248 7.705 1.00 0.00 O ATOM 205 CB SER A 35 -0.755 -8.595 9.139 1.00 0.00 C ATOM 206 OG SER A 35 -0.989 -8.034 10.426 1.00 0.00 O ATOM 0 H SER A 35 0.895 -10.641 9.961 1.00 0.00 H new ATOM 0 HA SER A 35 -1.964 -10.342 9.354 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.252 -8.342 8.809 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.446 -8.157 8.419 1.00 0.00 H new ATOM 0 HG SER A 35 -0.276 -8.311 11.038 1.00 0.00 H new ATOM 212 N CYS A 36 -1.290 -10.409 6.822 1.00 0.00 N ATOM 213 CA CYS A 36 -0.950 -10.813 5.501 1.00 0.00 C ATOM 214 C CYS A 36 -1.191 -9.684 4.567 1.00 0.00 C ATOM 215 O CYS A 36 -2.118 -8.885 4.743 1.00 0.00 O ATOM 216 CB CYS A 36 -1.691 -12.052 5.094 1.00 0.00 C ATOM 217 SG CYS A 36 -0.865 -12.950 3.786 1.00 0.00 S ATOM 0 H CYS A 36 -2.193 -9.941 6.905 1.00 0.00 H new ATOM 0 HA CYS A 36 0.108 -11.071 5.468 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.806 -12.703 5.960 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.694 -11.779 4.765 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.550 -12.129 2.828 1.00 0.00 H new ATOM 222 N TYR A 37 -0.312 -9.600 3.640 1.00 0.00 N ATOM 223 CA TYR A 37 -0.189 -8.521 2.740 1.00 0.00 C ATOM 224 C TYR A 37 -0.293 -8.936 1.309 1.00 0.00 C ATOM 225 O TYR A 37 0.167 -9.994 0.937 1.00 0.00 O ATOM 226 CB TYR A 37 1.166 -7.949 2.989 1.00 0.00 C ATOM 227 CG TYR A 37 1.273 -7.246 4.260 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.571 -7.931 5.365 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.079 -5.914 4.335 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.692 -7.345 6.563 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.185 -5.261 5.532 1.00 0.00 C ATOM 232 CZ TYR A 37 1.499 -5.985 6.654 1.00 0.00 C ATOM 233 OH TYR A 37 1.628 -5.350 7.847 1.00 0.00 O ATOM 0 H TYR A 37 0.383 -10.329 3.481 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.999 -7.810 2.905 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.902 -8.753 2.964 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.417 -7.262 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.720 -8.998 5.291 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.838 -5.357 3.442 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.936 -7.927 7.439 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.024 -4.195 5.593 1.00 0.00 H new ATOM 0 HH TYR A 37 2.282 -5.825 8.401 1.00 0.00 H new ATOM 243 N ILE A 38 -0.918 -8.112 0.521 1.00 0.00 N ATOM 244 CA ILE A 38 -1.000 -8.326 -0.899 1.00 0.00 C ATOM 245 C ILE A 38 -1.101 -6.989 -1.628 1.00 0.00 C ATOM 246 O ILE A 38 -1.771 -6.079 -1.145 1.00 0.00 O ATOM 247 CB ILE A 38 -2.162 -9.279 -1.281 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.154 -9.571 -2.792 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.496 -8.712 -0.828 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.196 -10.569 -3.227 1.00 0.00 C ATOM 0 H ILE A 38 -1.389 -7.267 0.844 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.083 -8.822 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.015 -10.226 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.311 -8.638 -3.333 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.169 -9.942 -3.075 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.296 -9.398 -1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.488 -8.584 0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.662 -7.747 -1.306 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.127 -10.721 -4.304 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.028 -11.517 -2.715 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.188 -10.192 -2.977 1.00 0.00 H new ATOM 262 N PHE A 39 -0.380 -6.832 -2.719 1.00 0.00 N ATOM 263 CA PHE A 39 -0.517 -5.635 -3.518 1.00 0.00 C ATOM 264 C PHE A 39 -1.258 -5.997 -4.697 1.00 0.00 C ATOM 265 O PHE A 39 -0.888 -6.940 -5.408 1.00 0.00 O ATOM 266 CB PHE A 39 0.780 -5.103 -4.036 1.00 0.00 C ATOM 267 CG PHE A 39 0.786 -3.627 -4.257 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.686 -2.775 -3.197 1.00 0.00 C ATOM 269 CD2 PHE A 39 0.909 -3.098 -5.507 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.699 -1.414 -3.374 1.00 0.00 C ATOM 271 CE2 PHE A 39 0.925 -1.730 -5.691 1.00 0.00 C ATOM 272 CZ PHE A 39 0.817 -0.893 -4.626 1.00 0.00 C ATOM 0 H PHE A 39 0.298 -7.509 -3.068 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.982 -4.883 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.572 -5.358 -3.332 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.016 -5.602 -4.976 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.595 -3.179 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.995 -3.754 -6.360 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.616 -0.757 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.024 -1.323 -6.686 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.825 0.177 -4.772 1.00 0.00 H new ATOM 282 N LEU A 40 -2.279 -5.337 -4.921 1.00 0.00 N ATOM 283 CA LEU A 40 -2.967 -5.542 -6.061 1.00 0.00 C ATOM 284 C LEU A 40 -3.083 -4.278 -6.806 1.00 0.00 C ATOM 285 O LEU A 40 -3.812 -3.374 -6.408 1.00 0.00 O ATOM 286 CB LEU A 40 -4.299 -6.325 -5.887 1.00 0.00 C ATOM 287 CG LEU A 40 -5.165 -6.150 -4.604 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.442 -6.638 -3.372 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.665 -4.726 -4.415 1.00 0.00 C ATOM 0 H LEU A 40 -2.664 -4.625 -4.300 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.389 -6.232 -6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.932 -6.073 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.060 -7.385 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.046 -6.775 -4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.078 -6.499 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.205 -7.696 -3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.520 -6.072 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.262 -4.668 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.814 -4.049 -4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.278 -4.439 -5.270 1.00 0.00 H new ATOM 301 N GLN A 41 -2.244 -4.115 -7.781 1.00 0.00 N ATOM 302 CA GLN A 41 -2.437 -2.994 -8.640 1.00 0.00 C ATOM 303 C GLN A 41 -3.700 -3.173 -9.464 1.00 0.00 C ATOM 304 O GLN A 41 -3.709 -3.847 -10.496 1.00 0.00 O ATOM 305 CB GLN A 41 -1.215 -2.694 -9.499 1.00 0.00 C ATOM 306 CG GLN A 41 -0.084 -2.210 -8.654 1.00 0.00 C ATOM 307 CD GLN A 41 1.157 -1.830 -9.393 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.112 -1.406 -10.550 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.293 -1.946 -8.728 1.00 0.00 N ATOM 0 H GLN A 41 -1.450 -4.718 -7.996 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.569 -2.113 -8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.914 -3.592 -10.039 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.465 -1.941 -10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.424 -1.346 -8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.167 -2.989 -7.934 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.290 -2.301 -7.772 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.173 -1.680 -9.171 1.00 0.00 H new ATOM 318 N GLU A 42 -4.757 -2.603 -8.946 1.00 0.00 N ATOM 319 CA GLU A 42 -6.058 -2.559 -9.551 1.00 0.00 C ATOM 320 C GLU A 42 -6.362 -1.123 -9.886 1.00 0.00 C ATOM 321 O GLU A 42 -6.489 -0.284 -8.993 1.00 0.00 O ATOM 322 CB GLU A 42 -7.116 -3.068 -8.568 1.00 0.00 C ATOM 323 CG GLU A 42 -7.033 -4.553 -8.222 1.00 0.00 C ATOM 324 CD GLU A 42 -7.437 -5.436 -9.371 1.00 0.00 C ATOM 325 OE1 GLU A 42 -8.646 -5.736 -9.506 1.00 0.00 O ATOM 326 OE2 GLU A 42 -6.571 -5.856 -10.160 1.00 0.00 O ATOM 0 H GLU A 42 -4.729 -2.132 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.072 -3.186 -10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.036 -2.493 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.102 -2.865 -8.986 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.014 -4.796 -7.922 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.675 -4.760 -7.366 1.00 0.00 H new ATOM 333 N ALA A 43 -6.430 -0.826 -11.135 1.00 0.00 N ATOM 334 CA ALA A 43 -6.773 0.507 -11.561 1.00 0.00 C ATOM 335 C ALA A 43 -8.273 0.650 -11.474 1.00 0.00 C ATOM 336 O ALA A 43 -9.008 -0.083 -12.151 1.00 0.00 O ATOM 337 CB ALA A 43 -6.298 0.733 -12.980 1.00 0.00 C ATOM 0 H ALA A 43 -6.253 -1.485 -11.893 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.291 1.249 -10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.561 1.743 -13.295 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.216 0.609 -13.026 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.775 0.011 -13.643 1.00 0.00 H new ATOM 343 N ILE A 44 -8.733 1.543 -10.629 1.00 0.00 N ATOM 344 CA ILE A 44 -10.157 1.728 -10.398 1.00 0.00 C ATOM 345 C ILE A 44 -10.455 3.184 -10.188 1.00 0.00 C ATOM 346 O ILE A 44 -9.547 3.964 -9.861 1.00 0.00 O ATOM 347 CB ILE A 44 -10.748 0.946 -9.183 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.214 1.462 -7.862 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.527 -0.556 -9.300 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.007 0.959 -6.688 1.00 0.00 C ATOM 0 H ILE A 44 -8.137 2.163 -10.081 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.631 1.325 -11.293 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.823 1.124 -9.203 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.173 1.159 -7.751 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.230 2.552 -7.868 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.956 -1.056 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.009 -0.925 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.458 -0.764 -9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.584 1.357 -5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.043 1.285 -6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.970 -0.130 -6.664 1.00 0.00 H new ATOM 362 N LYS A 45 -11.681 3.568 -10.438 1.00 0.00 N ATOM 363 CA LYS A 45 -12.107 4.891 -10.208 1.00 0.00 C ATOM 364 C LYS A 45 -12.115 5.149 -8.705 1.00 0.00 C ATOM 365 O LYS A 45 -12.941 4.614 -7.969 1.00 0.00 O ATOM 366 CB LYS A 45 -13.501 5.102 -10.799 1.00 0.00 C ATOM 367 CG LYS A 45 -14.045 6.503 -10.612 1.00 0.00 C ATOM 368 CD LYS A 45 -13.142 7.513 -11.273 1.00 0.00 C ATOM 369 CE LYS A 45 -13.656 8.908 -11.094 1.00 0.00 C ATOM 370 NZ LYS A 45 -12.728 9.919 -11.630 1.00 0.00 N ATOM 0 H LYS A 45 -12.404 2.953 -10.810 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.426 5.591 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.471 4.875 -11.865 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.190 4.392 -10.341 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.047 6.570 -11.036 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.133 6.726 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.139 7.437 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.059 7.288 -12.336 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.621 9.004 -11.592 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.824 9.098 -10.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.176 10.857 -11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.858 9.928 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -12.494 9.687 -12.617 1.00 0.00 H new ATOM 384 N VAL A 46 -11.185 5.924 -8.263 1.00 0.00 N ATOM 385 CA VAL A 46 -11.081 6.243 -6.881 1.00 0.00 C ATOM 386 C VAL A 46 -11.630 7.607 -6.658 1.00 0.00 C ATOM 387 O VAL A 46 -11.132 8.594 -7.182 1.00 0.00 O ATOM 388 CB VAL A 46 -9.632 6.150 -6.365 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.549 6.459 -4.882 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.066 4.786 -6.660 1.00 0.00 C ATOM 0 H VAL A 46 -10.473 6.356 -8.852 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.658 5.510 -6.317 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.037 6.899 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.513 6.384 -4.552 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.916 7.469 -4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.159 5.746 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.042 4.730 -6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.672 4.026 -6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.075 4.613 -7.736 1.00 0.00 H new ATOM 400 N GLU A 47 -12.677 7.644 -5.958 1.00 0.00 N ATOM 401 CA GLU A 47 -13.336 8.856 -5.618 1.00 0.00 C ATOM 402 C GLU A 47 -12.906 9.283 -4.242 1.00 0.00 C ATOM 403 O GLU A 47 -12.765 10.468 -3.946 1.00 0.00 O ATOM 404 CB GLU A 47 -14.817 8.619 -5.667 1.00 0.00 C ATOM 405 CG GLU A 47 -15.332 8.430 -7.022 1.00 0.00 C ATOM 406 CD GLU A 47 -15.444 9.722 -7.781 1.00 0.00 C ATOM 407 OE1 GLU A 47 -14.432 10.247 -8.254 1.00 0.00 O ATOM 408 OE2 GLU A 47 -16.566 10.244 -7.910 1.00 0.00 O ATOM 0 H GLU A 47 -13.130 6.810 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.077 9.649 -6.320 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.056 7.739 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.328 9.465 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.676 7.749 -7.565 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.312 7.956 -6.972 1.00 0.00 H new ATOM 415 N SER A 48 -12.665 8.312 -3.430 1.00 0.00 N ATOM 416 CA SER A 48 -12.248 8.497 -2.101 1.00 0.00 C ATOM 417 C SER A 48 -11.274 7.449 -1.785 1.00 0.00 C ATOM 418 O SER A 48 -11.243 6.439 -2.465 1.00 0.00 O ATOM 419 CB SER A 48 -13.421 8.361 -1.166 1.00 0.00 C ATOM 420 OG SER A 48 -14.317 9.454 -1.289 1.00 0.00 O ATOM 0 H SER A 48 -12.760 7.331 -3.694 1.00 0.00 H new ATOM 0 HA SER A 48 -11.813 9.490 -1.985 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.949 7.431 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.063 8.298 -0.139 1.00 0.00 H new ATOM 0 HG SER A 48 -13.882 10.271 -0.967 1.00 0.00 H new ATOM 426 N ILE A 49 -10.507 7.627 -0.740 1.00 0.00 N ATOM 427 CA ILE A 49 -9.570 6.637 -0.358 1.00 0.00 C ATOM 428 C ILE A 49 -10.307 5.359 0.074 1.00 0.00 C ATOM 429 O ILE A 49 -9.799 4.277 0.027 1.00 0.00 O ATOM 430 CB ILE A 49 -8.628 7.140 0.719 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.579 6.123 0.990 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.374 7.455 1.952 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.488 6.603 1.932 1.00 0.00 C ATOM 0 H ILE A 49 -10.523 8.456 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.948 6.398 -1.221 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.149 8.054 0.368 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.048 5.235 1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.125 5.823 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.682 7.814 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.115 8.226 1.742 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.877 6.557 2.313 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.760 5.806 2.081 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.992 7.472 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.929 6.876 2.891 1.00 0.00 H new ATOM 445 N GLU A 50 -11.514 5.538 0.438 1.00 0.00 N ATOM 446 CA GLU A 50 -12.438 4.445 0.716 1.00 0.00 C ATOM 447 C GLU A 50 -12.562 3.537 -0.532 1.00 0.00 C ATOM 448 O GLU A 50 -12.598 2.337 -0.421 1.00 0.00 O ATOM 449 CB GLU A 50 -13.815 4.989 1.035 1.00 0.00 C ATOM 450 CG GLU A 50 -13.896 5.919 2.222 1.00 0.00 C ATOM 451 CD GLU A 50 -13.705 5.216 3.529 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.486 4.272 3.819 1.00 0.00 O ATOM 453 OE2 GLU A 50 -12.833 5.626 4.309 1.00 0.00 O ATOM 0 H GLU A 50 -11.926 6.463 0.563 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.054 3.880 1.566 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.188 5.517 0.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.486 4.148 1.210 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -13.139 6.697 2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.866 6.416 2.221 1.00 0.00 H new ATOM 460 N ASP A 51 -12.554 4.143 -1.709 1.00 0.00 N ATOM 461 CA ASP A 51 -12.688 3.438 -2.962 1.00 0.00 C ATOM 462 C ASP A 51 -11.514 2.566 -3.225 1.00 0.00 C ATOM 463 O ASP A 51 -11.646 1.465 -3.707 1.00 0.00 O ATOM 464 CB ASP A 51 -12.827 4.420 -4.100 1.00 0.00 C ATOM 465 CG ASP A 51 -14.187 5.030 -4.199 1.00 0.00 C ATOM 466 OD1 ASP A 51 -15.113 4.377 -4.713 1.00 0.00 O ATOM 467 OD2 ASP A 51 -14.356 6.162 -3.775 1.00 0.00 O ATOM 0 H ASP A 51 -12.453 5.152 -1.816 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.580 2.816 -2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.090 5.213 -3.977 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.596 3.913 -5.037 1.00 0.00 H new ATOM 472 N VAL A 52 -10.378 3.031 -2.845 1.00 0.00 N ATOM 473 CA VAL A 52 -9.160 2.335 -3.100 1.00 0.00 C ATOM 474 C VAL A 52 -8.920 1.322 -2.047 1.00 0.00 C ATOM 475 O VAL A 52 -8.422 0.242 -2.292 1.00 0.00 O ATOM 476 CB VAL A 52 -7.982 3.311 -3.208 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.058 4.415 -2.238 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.642 2.614 -3.252 1.00 0.00 C ATOM 0 H VAL A 52 -10.263 3.912 -2.344 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.249 1.821 -4.057 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.075 3.794 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.197 5.071 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.974 4.983 -2.404 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.060 4.011 -1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.848 3.357 -3.329 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.506 2.030 -2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.604 1.952 -4.117 1.00 0.00 H new ATOM 488 N ARG A 53 -9.361 1.648 -0.902 1.00 0.00 N ATOM 489 CA ARG A 53 -9.214 0.829 0.225 1.00 0.00 C ATOM 490 C ARG A 53 -10.127 -0.413 0.051 1.00 0.00 C ATOM 491 O ARG A 53 -9.874 -1.497 0.589 1.00 0.00 O ATOM 492 CB ARG A 53 -9.486 1.737 1.450 1.00 0.00 C ATOM 493 CG ARG A 53 -10.846 1.901 1.925 1.00 0.00 C ATOM 494 CD ARG A 53 -11.247 0.713 2.702 1.00 0.00 C ATOM 495 NE ARG A 53 -12.053 1.048 3.850 1.00 0.00 N ATOM 496 CZ ARG A 53 -13.362 0.813 3.962 1.00 0.00 C ATOM 497 NH1 ARG A 53 -14.030 0.212 2.967 1.00 0.00 N ATOM 498 NH2 ARG A 53 -14.009 1.171 5.067 1.00 0.00 N ATOM 0 H ARG A 53 -9.851 2.523 -0.717 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.220 0.406 0.369 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.893 1.353 2.280 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.100 2.729 1.215 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.920 2.795 2.544 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.522 2.041 1.081 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.804 0.033 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.355 0.181 3.032 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.587 1.499 4.637 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.538 -0.068 2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.030 0.035 3.058 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.505 1.625 5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.009 0.992 5.153 1.00 0.00 H new ATOM 512 N ASN A 54 -11.135 -0.222 -0.782 1.00 0.00 N ATOM 513 CA ASN A 54 -12.092 -1.256 -1.189 1.00 0.00 C ATOM 514 C ASN A 54 -11.412 -2.394 -1.892 1.00 0.00 C ATOM 515 O ASN A 54 -11.859 -3.532 -1.803 1.00 0.00 O ATOM 516 CB ASN A 54 -13.140 -0.705 -2.136 1.00 0.00 C ATOM 517 CG ASN A 54 -14.207 0.121 -1.468 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.523 -0.068 -0.284 1.00 0.00 O ATOM 519 ND2 ASN A 54 -14.802 1.012 -2.220 1.00 0.00 N ATOM 0 H ASN A 54 -11.323 0.684 -1.212 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.560 -1.606 -0.269 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.645 -0.095 -2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.614 -1.536 -2.658 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.556 1.582 -1.836 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.512 1.136 -3.190 1.00 0.00 H new ATOM 526 N GLN A 55 -10.324 -2.092 -2.584 1.00 0.00 N ATOM 527 CA GLN A 55 -9.572 -3.087 -3.333 1.00 0.00 C ATOM 528 C GLN A 55 -9.050 -4.153 -2.396 1.00 0.00 C ATOM 529 O GLN A 55 -8.928 -5.317 -2.763 1.00 0.00 O ATOM 530 CB GLN A 55 -8.404 -2.437 -4.052 1.00 0.00 C ATOM 531 CG GLN A 55 -8.803 -1.320 -4.978 1.00 0.00 C ATOM 532 CD GLN A 55 -7.609 -0.631 -5.623 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.557 -1.227 -5.836 1.00 0.00 O ATOM 534 NE2 GLN A 55 -7.766 0.630 -5.935 1.00 0.00 N ATOM 0 H GLN A 55 -9.937 -1.150 -2.642 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.237 -3.540 -4.068 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.704 -2.049 -3.311 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.873 -3.198 -4.624 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.453 -1.716 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.384 -0.584 -4.422 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.653 1.096 -5.745 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.001 1.147 -6.369 1.00 0.00 H new ATOM 543 N CYS A 56 -8.777 -3.755 -1.182 1.00 0.00 N ATOM 544 CA CYS A 56 -8.297 -4.637 -0.196 1.00 0.00 C ATOM 545 C CYS A 56 -9.409 -5.331 0.517 1.00 0.00 C ATOM 546 O CYS A 56 -9.337 -6.547 0.749 1.00 0.00 O ATOM 547 CB CYS A 56 -7.441 -3.899 0.771 1.00 0.00 C ATOM 548 SG CYS A 56 -5.999 -3.180 0.003 1.00 0.00 S ATOM 0 H CYS A 56 -8.889 -2.793 -0.863 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.702 -5.403 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.028 -3.111 1.242 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.126 -4.578 1.563 1.00 0.00 H new ATOM 553 N THR A 57 -10.465 -4.596 0.825 1.00 0.00 N ATOM 554 CA THR A 57 -11.596 -5.153 1.553 1.00 0.00 C ATOM 555 C THR A 57 -12.299 -6.198 0.716 1.00 0.00 C ATOM 556 O THR A 57 -12.947 -7.111 1.226 1.00 0.00 O ATOM 557 CB THR A 57 -12.555 -4.051 2.023 1.00 0.00 C ATOM 558 OG1 THR A 57 -13.037 -3.304 0.898 1.00 0.00 O ATOM 559 CG2 THR A 57 -11.827 -3.109 2.960 1.00 0.00 C ATOM 0 H THR A 57 -10.564 -3.610 0.582 1.00 0.00 H new ATOM 0 HA THR A 57 -11.220 -5.645 2.450 1.00 0.00 H new ATOM 0 HB THR A 57 -13.396 -4.515 2.539 1.00 0.00 H new ATOM 0 HG1 THR A 57 -12.595 -3.620 0.082 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.510 -2.327 3.293 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.463 -3.665 3.824 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.984 -2.656 2.438 1.00 0.00 H new ATOM 567 N ASP A 58 -12.055 -6.097 -0.569 1.00 0.00 N ATOM 568 CA ASP A 58 -12.538 -7.024 -1.586 1.00 0.00 C ATOM 569 C ASP A 58 -11.960 -8.418 -1.340 1.00 0.00 C ATOM 570 O ASP A 58 -12.525 -9.421 -1.735 1.00 0.00 O ATOM 571 CB ASP A 58 -12.068 -6.525 -2.953 1.00 0.00 C ATOM 572 CG ASP A 58 -12.600 -7.321 -4.111 1.00 0.00 C ATOM 573 OD1 ASP A 58 -13.686 -6.982 -4.622 1.00 0.00 O ATOM 574 OD2 ASP A 58 -11.933 -8.258 -4.562 1.00 0.00 O ATOM 0 H ASP A 58 -11.493 -5.340 -0.958 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.626 -7.078 -1.548 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.370 -5.484 -3.072 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.979 -6.546 -2.981 1.00 0.00 H new ATOM 579 N HIS A 59 -10.838 -8.464 -0.642 1.00 0.00 N ATOM 580 CA HIS A 59 -10.153 -9.710 -0.382 1.00 0.00 C ATOM 581 C HIS A 59 -10.231 -10.058 1.076 1.00 0.00 C ATOM 582 O HIS A 59 -9.524 -10.949 1.545 1.00 0.00 O ATOM 583 CB HIS A 59 -8.677 -9.658 -0.799 1.00 0.00 C ATOM 584 CG HIS A 59 -8.410 -9.385 -2.256 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.204 -8.226 -2.905 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -8.283 -10.366 -3.209 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -7.951 -8.525 -4.209 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -8.004 -9.815 -4.370 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.382 -7.643 -0.244 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.654 -10.472 -0.979 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.181 -8.888 -0.209 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.213 -10.609 -0.537 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.232 -7.292 -2.495 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -8.395 -11.426 -3.032 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.740 -7.806 -4.986 1.00 0.00 H new ATOM 597 N GLY A 60 -11.087 -9.366 1.800 1.00 0.00 N ATOM 598 CA GLY A 60 -11.174 -9.591 3.222 1.00 0.00 C ATOM 599 C GLY A 60 -9.963 -9.030 3.928 1.00 0.00 C ATOM 600 O GLY A 60 -9.529 -9.526 4.973 1.00 0.00 O ATOM 0 H GLY A 60 -11.721 -8.656 1.433 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.078 -9.125 3.614 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.255 -10.660 3.422 1.00 0.00 H new ATOM 604 N ALA A 61 -9.401 -8.033 3.324 1.00 0.00 N ATOM 605 CA ALA A 61 -8.253 -7.335 3.845 1.00 0.00 C ATOM 606 C ALA A 61 -8.618 -5.884 3.956 1.00 0.00 C ATOM 607 O ALA A 61 -9.735 -5.533 3.680 1.00 0.00 O ATOM 608 CB ALA A 61 -7.057 -7.517 2.912 1.00 0.00 C ATOM 0 H ALA A 61 -9.731 -7.666 2.431 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.973 -7.730 4.822 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.196 -6.985 3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.821 -8.578 2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.300 -7.118 1.927 1.00 0.00 H new ATOM 614 N ASP A 62 -7.728 -5.074 4.390 1.00 0.00 N ATOM 615 CA ASP A 62 -7.953 -3.648 4.413 1.00 0.00 C ATOM 616 C ASP A 62 -6.644 -3.028 4.014 1.00 0.00 C ATOM 617 O ASP A 62 -5.683 -3.767 3.833 1.00 0.00 O ATOM 618 CB ASP A 62 -8.413 -3.146 5.777 1.00 0.00 C ATOM 619 CG ASP A 62 -9.296 -1.923 5.644 1.00 0.00 C ATOM 620 OD1 ASP A 62 -8.981 -1.029 4.840 1.00 0.00 O ATOM 621 OD2 ASP A 62 -10.339 -1.860 6.349 1.00 0.00 O ATOM 0 H ASP A 62 -6.816 -5.364 4.744 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.759 -3.375 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.958 -3.936 6.293 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.545 -2.905 6.390 1.00 0.00 H new ATOM 626 N MET A 63 -6.587 -1.751 3.770 1.00 0.00 N ATOM 627 CA MET A 63 -5.316 -1.154 3.340 1.00 0.00 C ATOM 628 C MET A 63 -4.231 -1.264 4.414 1.00 0.00 C ATOM 629 O MET A 63 -4.515 -1.346 5.616 1.00 0.00 O ATOM 630 CB MET A 63 -5.431 0.301 2.850 1.00 0.00 C ATOM 631 CG MET A 63 -6.220 0.491 1.586 1.00 0.00 C ATOM 632 SD MET A 63 -6.313 2.232 1.059 1.00 0.00 S ATOM 633 CE MET A 63 -4.606 2.626 0.683 1.00 0.00 C ATOM 0 H MET A 63 -7.370 -1.103 3.852 1.00 0.00 H new ATOM 0 HA MET A 63 -5.021 -1.750 2.476 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.890 0.898 3.639 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.427 0.696 2.695 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.768 -0.100 0.790 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.230 0.107 1.733 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.327 3.552 1.187 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.962 1.817 1.027 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.490 2.749 -0.394 1.00 0.00 H new ATOM 643 N ILE A 64 -3.015 -1.344 3.926 1.00 0.00 N ATOM 644 CA ILE A 64 -1.759 -1.396 4.690 1.00 0.00 C ATOM 645 C ILE A 64 -1.722 -0.468 5.953 1.00 0.00 C ATOM 646 O ILE A 64 -2.321 0.593 5.984 1.00 0.00 O ATOM 647 CB ILE A 64 -0.588 -1.043 3.728 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.679 -0.697 4.485 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.977 0.033 2.720 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.784 -0.166 3.637 1.00 0.00 C ATOM 0 H ILE A 64 -2.850 -1.378 2.920 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.667 -2.408 5.083 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.370 -1.940 3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.439 0.041 5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.032 -1.589 5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.128 0.246 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.816 -0.318 2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.265 0.941 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.649 0.054 4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.057 -0.909 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.455 0.746 3.140 1.00 0.00 H new ATOM 662 N SER A 65 -0.945 -0.864 6.948 1.00 0.00 N ATOM 663 CA SER A 65 -0.880 -0.176 8.194 1.00 0.00 C ATOM 664 C SER A 65 0.453 -0.443 8.854 1.00 0.00 C ATOM 665 O SER A 65 0.790 -1.594 9.167 1.00 0.00 O ATOM 666 CB SER A 65 -2.005 -0.647 9.075 1.00 0.00 C ATOM 667 OG SER A 65 -1.982 -0.069 10.368 1.00 0.00 O ATOM 0 H SER A 65 -0.341 -1.684 6.896 1.00 0.00 H new ATOM 0 HA SER A 65 -0.978 0.897 8.031 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.955 -0.412 8.596 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.955 -1.732 9.168 1.00 0.00 H new ATOM 0 HG SER A 65 -2.158 0.893 10.300 1.00 0.00 H new ATOM 673 N ILE A 66 1.174 0.608 9.099 1.00 0.00 N ATOM 674 CA ILE A 66 2.487 0.523 9.638 1.00 0.00 C ATOM 675 C ILE A 66 2.505 0.803 11.103 1.00 0.00 C ATOM 676 O ILE A 66 2.032 1.836 11.573 1.00 0.00 O ATOM 677 CB ILE A 66 3.442 1.464 8.888 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.488 1.023 7.416 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.817 1.481 9.543 1.00 0.00 C ATOM 680 CD1 ILE A 66 4.316 1.860 6.492 1.00 0.00 C ATOM 0 H ILE A 66 0.857 1.562 8.926 1.00 0.00 H new ATOM 0 HA ILE A 66 2.832 -0.502 9.501 1.00 0.00 H new ATOM 0 HB ILE A 66 3.082 2.492 8.933 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.863 0.000 7.378 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.467 1.002 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.474 2.155 8.993 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.725 1.825 10.573 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.238 0.475 9.532 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.267 1.447 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.933 2.881 6.484 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.351 1.863 6.833 1.00 0.00 H new ATOM 692 N HIS A 67 3.013 -0.133 11.831 1.00 0.00 N ATOM 693 CA HIS A 67 3.153 0.036 13.231 1.00 0.00 C ATOM 694 C HIS A 67 4.614 -0.025 13.639 1.00 0.00 C ATOM 695 O HIS A 67 4.921 0.090 14.817 1.00 0.00 O ATOM 696 CB HIS A 67 2.277 -0.957 14.024 1.00 0.00 C ATOM 697 CG HIS A 67 0.789 -0.721 13.874 1.00 0.00 C ATOM 698 ND1 HIS A 67 0.021 -0.143 14.851 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.069 -1.009 12.856 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.227 -0.084 14.458 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.318 -0.604 13.252 1.00 0.00 N ATOM 0 H HIS A 67 3.340 -1.030 11.472 1.00 0.00 H new ATOM 0 HA HIS A 67 2.786 1.030 13.485 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.508 -1.971 13.697 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.540 -0.894 15.080 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.187 -1.470 11.913 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.047 0.324 15.030 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.174 -0.691 12.704 1.00 0.00 H new ATOM 710 N ASN A 68 5.541 -0.137 12.640 1.00 0.00 N ATOM 711 CA ASN A 68 7.005 -0.185 12.924 1.00 0.00 C ATOM 712 C ASN A 68 7.758 0.073 11.653 1.00 0.00 C ATOM 713 O ASN A 68 7.195 -0.033 10.580 1.00 0.00 O ATOM 714 CB ASN A 68 7.503 -1.563 13.424 1.00 0.00 C ATOM 715 CG ASN A 68 6.920 -2.093 14.701 1.00 0.00 C ATOM 716 OD1 ASN A 68 7.441 -1.850 15.791 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.856 -2.827 14.577 1.00 0.00 N ATOM 0 H ASN A 68 5.304 -0.195 11.650 1.00 0.00 H new ATOM 0 HA ASN A 68 7.176 0.560 13.701 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.311 -2.294 12.639 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.584 -1.504 13.548 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.415 -3.230 15.404 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.461 -3.000 13.653 1.00 0.00 H new ATOM 724 N GLU A 69 9.054 0.360 11.762 1.00 0.00 N ATOM 725 CA GLU A 69 9.888 0.504 10.603 1.00 0.00 C ATOM 726 C GLU A 69 10.046 -0.837 9.963 1.00 0.00 C ATOM 727 O GLU A 69 10.280 -0.927 8.789 1.00 0.00 O ATOM 728 CB GLU A 69 11.251 1.064 10.929 1.00 0.00 C ATOM 729 CG GLU A 69 12.110 0.213 11.811 1.00 0.00 C ATOM 730 CD GLU A 69 13.450 0.838 12.061 1.00 0.00 C ATOM 731 OE1 GLU A 69 14.317 0.787 11.168 1.00 0.00 O ATOM 732 OE2 GLU A 69 13.677 1.411 13.141 1.00 0.00 O ATOM 0 H GLU A 69 9.537 0.495 12.650 1.00 0.00 H new ATOM 0 HA GLU A 69 9.405 1.212 9.930 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.784 1.240 9.995 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.119 2.034 11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.603 0.049 12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.246 -0.765 11.350 1.00 0.00 H new ATOM 739 N GLU A 70 9.886 -1.875 10.776 1.00 0.00 N ATOM 740 CA GLU A 70 9.887 -3.205 10.357 1.00 0.00 C ATOM 741 C GLU A 70 8.831 -3.382 9.286 1.00 0.00 C ATOM 742 O GLU A 70 9.094 -3.941 8.250 1.00 0.00 O ATOM 743 CB GLU A 70 9.569 -4.044 11.576 1.00 0.00 C ATOM 744 CG GLU A 70 10.753 -4.655 12.279 1.00 0.00 C ATOM 745 CD GLU A 70 11.511 -5.635 11.426 1.00 0.00 C ATOM 746 OE1 GLU A 70 11.126 -6.822 11.372 1.00 0.00 O ATOM 747 OE2 GLU A 70 12.531 -5.254 10.825 1.00 0.00 O ATOM 0 H GLU A 70 9.749 -1.770 11.781 1.00 0.00 H new ATOM 0 HA GLU A 70 10.847 -3.504 9.936 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.027 -3.423 12.290 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.895 -4.846 11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.429 -3.860 12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.410 -5.160 13.182 1.00 0.00 H new ATOM 754 N GLU A 71 7.655 -2.815 9.550 1.00 0.00 N ATOM 755 CA GLU A 71 6.531 -2.859 8.633 1.00 0.00 C ATOM 756 C GLU A 71 6.876 -1.986 7.452 1.00 0.00 C ATOM 757 O GLU A 71 6.882 -2.422 6.348 1.00 0.00 O ATOM 758 CB GLU A 71 5.302 -2.251 9.295 1.00 0.00 C ATOM 759 CG GLU A 71 3.970 -2.876 8.955 1.00 0.00 C ATOM 760 CD GLU A 71 3.707 -3.110 7.582 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.104 -2.234 6.965 1.00 0.00 O ATOM 762 OE2 GLU A 71 3.979 -4.229 7.143 1.00 0.00 O ATOM 0 H GLU A 71 7.460 -2.310 10.414 1.00 0.00 H new ATOM 0 HA GLU A 71 6.331 -3.890 8.343 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.437 -2.303 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.260 -1.195 9.030 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.896 -3.827 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.183 -2.232 9.347 1.00 0.00 H new ATOM 769 N ASN A 72 7.273 -0.755 7.746 1.00 0.00 N ATOM 770 CA ASN A 72 7.524 0.252 6.744 1.00 0.00 C ATOM 771 C ASN A 72 8.513 -0.242 5.708 1.00 0.00 C ATOM 772 O ASN A 72 8.256 -0.212 4.510 1.00 0.00 O ATOM 773 CB ASN A 72 8.069 1.510 7.416 1.00 0.00 C ATOM 774 CG ASN A 72 8.328 2.599 6.420 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.476 3.398 6.144 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.525 2.658 5.908 1.00 0.00 N ATOM 0 H ASN A 72 7.429 -0.432 8.701 1.00 0.00 H new ATOM 0 HA ASN A 72 6.585 0.477 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.358 1.861 8.163 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.993 1.271 7.943 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.762 3.400 5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.225 1.962 6.165 1.00 0.00 H new ATOM 783 N ALA A 73 9.612 -0.730 6.196 1.00 0.00 N ATOM 784 CA ALA A 73 10.678 -1.223 5.375 1.00 0.00 C ATOM 785 C ALA A 73 10.328 -2.575 4.739 1.00 0.00 C ATOM 786 O ALA A 73 10.865 -2.930 3.681 1.00 0.00 O ATOM 787 CB ALA A 73 11.933 -1.297 6.189 1.00 0.00 C ATOM 0 H ALA A 73 9.798 -0.799 7.197 1.00 0.00 H new ATOM 0 HA ALA A 73 10.836 -0.532 4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.747 -1.672 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.186 -0.303 6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.780 -1.970 7.033 1.00 0.00 H new ATOM 793 N PHE A 74 9.440 -3.320 5.388 1.00 0.00 N ATOM 794 CA PHE A 74 8.902 -4.562 4.843 1.00 0.00 C ATOM 795 C PHE A 74 8.226 -4.265 3.545 1.00 0.00 C ATOM 796 O PHE A 74 8.639 -4.719 2.502 1.00 0.00 O ATOM 797 CB PHE A 74 7.844 -5.142 5.781 1.00 0.00 C ATOM 798 CG PHE A 74 6.983 -6.168 5.241 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.440 -7.404 4.847 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.696 -5.881 5.140 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.550 -8.324 4.346 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.827 -6.730 4.670 1.00 0.00 C ATOM 803 CZ PHE A 74 5.217 -7.975 4.257 1.00 0.00 C ATOM 0 H PHE A 74 9.072 -3.080 6.308 1.00 0.00 H new ATOM 0 HA PHE A 74 9.721 -5.270 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.352 -5.551 6.654 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.216 -4.323 6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.488 -7.649 4.930 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.353 -4.908 5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.886 -9.300 4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.786 -6.448 4.606 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.493 -8.675 3.867 1.00 0.00 H new ATOM 813 N ILE A 75 7.278 -3.370 3.646 1.00 0.00 N ATOM 814 CA ILE A 75 6.322 -3.003 2.608 1.00 0.00 C ATOM 815 C ILE A 75 7.067 -2.498 1.475 1.00 0.00 C ATOM 816 O ILE A 75 6.839 -2.857 0.330 1.00 0.00 O ATOM 817 CB ILE A 75 5.425 -1.876 3.154 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.732 -2.326 4.427 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.431 -1.433 2.138 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.714 -3.377 4.241 1.00 0.00 C ATOM 0 H ILE A 75 7.136 -2.839 4.505 1.00 0.00 H new ATOM 0 HA ILE A 75 5.714 -3.859 2.315 1.00 0.00 H new ATOM 0 HB ILE A 75 6.060 -1.021 3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.486 -2.690 5.125 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.259 -1.461 4.892 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.814 -0.637 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.953 -1.063 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.797 -2.274 1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.275 -3.633 5.205 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.934 -3.014 3.572 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.180 -4.262 3.809 1.00 0.00 H new ATOM 832 N LEU A 76 8.018 -1.755 1.836 1.00 0.00 N ATOM 833 CA LEU A 76 8.870 -1.095 0.989 1.00 0.00 C ATOM 834 C LEU A 76 9.568 -2.030 0.021 1.00 0.00 C ATOM 835 O LEU A 76 9.562 -1.806 -1.162 1.00 0.00 O ATOM 836 CB LEU A 76 9.859 -0.379 1.831 1.00 0.00 C ATOM 837 CG LEU A 76 10.091 1.003 1.373 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.927 1.798 1.806 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.364 1.625 1.821 1.00 0.00 C ATOM 0 H LEU A 76 8.230 -1.585 2.819 1.00 0.00 H new ATOM 0 HA LEU A 76 8.300 -0.401 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.509 -0.363 2.863 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.802 -0.925 1.822 1.00 0.00 H new ATOM 0 HG LEU A 76 10.199 0.979 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.054 2.833 1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.021 1.390 1.358 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.844 1.760 2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.432 2.639 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.390 1.656 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.205 1.037 1.454 1.00 0.00 H new ATOM 851 N ASP A 77 10.142 -3.063 0.517 1.00 0.00 N ATOM 852 CA ASP A 77 10.856 -4.017 -0.356 1.00 0.00 C ATOM 853 C ASP A 77 9.917 -5.015 -0.902 1.00 0.00 C ATOM 854 O ASP A 77 10.017 -5.402 -2.041 1.00 0.00 O ATOM 855 CB ASP A 77 11.899 -4.773 0.425 1.00 0.00 C ATOM 856 CG ASP A 77 12.700 -5.747 -0.419 1.00 0.00 C ATOM 857 OD1 ASP A 77 13.655 -5.324 -1.101 1.00 0.00 O ATOM 858 OD2 ASP A 77 12.413 -6.944 -0.395 1.00 0.00 O ATOM 0 H ASP A 77 10.151 -3.298 1.509 1.00 0.00 H new ATOM 0 HA ASP A 77 11.319 -3.440 -1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.581 -4.061 0.889 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.412 -5.320 1.232 1.00 0.00 H new ATOM 863 N THR A 78 8.944 -5.330 -0.117 1.00 0.00 N ATOM 864 CA THR A 78 8.074 -6.442 -0.353 1.00 0.00 C ATOM 865 C THR A 78 7.204 -6.187 -1.519 1.00 0.00 C ATOM 866 O THR A 78 6.845 -7.106 -2.290 1.00 0.00 O ATOM 867 CB THR A 78 7.279 -6.731 0.904 1.00 0.00 C ATOM 868 OG1 THR A 78 8.179 -7.249 1.889 1.00 0.00 O ATOM 869 CG2 THR A 78 6.144 -7.675 0.678 1.00 0.00 C ATOM 0 H THR A 78 8.722 -4.810 0.732 1.00 0.00 H new ATOM 0 HA THR A 78 8.664 -7.327 -0.592 1.00 0.00 H new ATOM 0 HB THR A 78 6.823 -5.801 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.684 -7.449 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.616 -7.840 1.617 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.458 -7.250 -0.055 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.529 -8.625 0.307 1.00 0.00 H new ATOM 877 N LEU A 79 6.935 -4.943 -1.674 1.00 0.00 N ATOM 878 CA LEU A 79 6.187 -4.460 -2.710 1.00 0.00 C ATOM 879 C LEU A 79 6.833 -4.870 -4.029 1.00 0.00 C ATOM 880 O LEU A 79 6.251 -5.572 -4.831 1.00 0.00 O ATOM 881 CB LEU A 79 6.167 -2.972 -2.601 1.00 0.00 C ATOM 882 CG LEU A 79 4.850 -2.309 -2.791 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.056 -2.993 -3.866 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.096 -2.264 -1.458 1.00 0.00 C ATOM 0 H LEU A 79 7.261 -4.219 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 79 5.172 -4.857 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.548 -2.697 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.862 -2.567 -3.337 1.00 0.00 H new ATOM 0 HG LEU A 79 5.009 -1.283 -3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.097 -2.489 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.607 -2.954 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.887 -4.033 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.131 -1.777 -1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.939 -3.279 -1.094 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.680 -1.703 -0.728 1.00 0.00 H new ATOM 896 N LYS A 80 8.041 -4.427 -4.198 1.00 0.00 N ATOM 897 CA LYS A 80 8.844 -4.731 -5.366 1.00 0.00 C ATOM 898 C LYS A 80 9.350 -6.189 -5.431 1.00 0.00 C ATOM 899 O LYS A 80 9.566 -6.720 -6.524 1.00 0.00 O ATOM 900 CB LYS A 80 10.006 -3.780 -5.405 1.00 0.00 C ATOM 901 CG LYS A 80 9.552 -2.360 -5.414 1.00 0.00 C ATOM 902 CD LYS A 80 9.819 -1.723 -4.104 1.00 0.00 C ATOM 903 CE LYS A 80 11.334 -1.585 -3.849 1.00 0.00 C ATOM 904 NZ LYS A 80 11.672 -0.805 -2.634 1.00 0.00 N ATOM 0 H LYS A 80 8.515 -3.831 -3.520 1.00 0.00 H new ATOM 0 HA LYS A 80 8.198 -4.612 -6.236 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.647 -3.952 -4.541 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.608 -3.976 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.067 -1.812 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.486 -2.314 -5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.351 -0.739 -4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.366 -2.316 -3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.770 -2.580 -3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.796 -1.109 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.525 -1.204 -2.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.849 0.186 -2.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.880 -0.849 -1.961 1.00 0.00 H new ATOM 918 N LYS A 81 9.587 -6.814 -4.279 1.00 0.00 N ATOM 919 CA LYS A 81 10.093 -8.124 -4.210 1.00 0.00 C ATOM 920 C LYS A 81 9.112 -9.183 -4.744 1.00 0.00 C ATOM 921 O LYS A 81 9.518 -10.107 -5.448 1.00 0.00 O ATOM 922 CB LYS A 81 10.521 -8.406 -2.784 1.00 0.00 C ATOM 923 CG LYS A 81 9.472 -8.962 -1.933 1.00 0.00 C ATOM 924 CD LYS A 81 9.943 -9.191 -0.508 1.00 0.00 C ATOM 925 CE LYS A 81 10.953 -10.295 -0.470 1.00 0.00 C ATOM 926 NZ LYS A 81 11.220 -10.741 0.917 1.00 0.00 N ATOM 0 H LYS A 81 9.419 -6.389 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 81 10.958 -8.194 -4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.362 -9.099 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.881 -7.479 -2.337 1.00 0.00 H new ATOM 0 HG2 LYS A 81 8.617 -8.286 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.128 -9.906 -2.355 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.379 -8.275 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 81 9.094 -9.443 0.128 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.595 -11.138 -1.061 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.882 -9.956 -0.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.924 -11.506 0.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.585 -9.942 1.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.338 -11.088 1.346 1.00 0.00 H new ATOM 940 N GLN A 82 7.850 -9.073 -4.395 1.00 0.00 N ATOM 941 CA GLN A 82 6.887 -10.054 -4.816 1.00 0.00 C ATOM 942 C GLN A 82 6.070 -9.553 -5.968 1.00 0.00 C ATOM 943 O GLN A 82 5.861 -10.258 -6.963 1.00 0.00 O ATOM 944 CB GLN A 82 5.976 -10.366 -3.668 1.00 0.00 C ATOM 945 CG GLN A 82 5.065 -11.554 -3.897 1.00 0.00 C ATOM 946 CD GLN A 82 5.842 -12.842 -4.016 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.185 -13.277 -5.112 1.00 0.00 O ATOM 948 NE2 GLN A 82 6.216 -13.400 -2.892 1.00 0.00 N ATOM 0 H GLN A 82 7.472 -8.317 -3.824 1.00 0.00 H new ATOM 0 HA GLN A 82 7.422 -10.948 -5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.581 -10.553 -2.781 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.364 -9.489 -3.457 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.356 -11.632 -3.073 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.483 -11.396 -4.805 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.910 -13.008 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.814 -14.226 -2.907 1.00 0.00 H new ATOM 957 N TRP A 83 5.656 -8.324 -5.846 1.00 0.00 N ATOM 958 CA TRP A 83 4.746 -7.731 -6.767 1.00 0.00 C ATOM 959 C TRP A 83 5.515 -6.754 -7.654 1.00 0.00 C ATOM 960 O TRP A 83 6.750 -6.825 -7.723 1.00 0.00 O ATOM 961 CB TRP A 83 3.615 -7.032 -5.971 1.00 0.00 C ATOM 962 CG TRP A 83 2.984 -7.925 -4.915 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.278 -9.084 -5.088 1.00 0.00 C ATOM 964 CD2 TRP A 83 3.003 -7.686 -3.523 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.879 -9.568 -3.852 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.312 -8.715 -2.888 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.547 -6.693 -2.774 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.153 -8.759 -1.509 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.404 -6.711 -1.411 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.710 -7.737 -0.777 1.00 0.00 C ATOM 0 H TRP A 83 5.949 -7.703 -5.092 1.00 0.00 H new ATOM 0 HA TRP A 83 4.287 -8.481 -7.411 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.016 -6.140 -5.490 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.843 -6.700 -6.665 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.065 -9.549 -6.039 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.348 -10.424 -3.693 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.091 -5.891 -3.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.614 -9.563 -1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.836 -5.917 -0.820 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.608 -7.731 0.298 1.00 0.00 H new ATOM 981 N LYS A 84 4.813 -5.878 -8.336 1.00 0.00 N ATOM 982 CA LYS A 84 5.452 -4.928 -9.239 1.00 0.00 C ATOM 983 C LYS A 84 6.273 -3.908 -8.470 1.00 0.00 C ATOM 984 O LYS A 84 7.508 -3.917 -8.502 1.00 0.00 O ATOM 985 CB LYS A 84 4.406 -4.222 -10.097 1.00 0.00 C ATOM 986 CG LYS A 84 3.513 -5.149 -10.910 1.00 0.00 C ATOM 987 CD LYS A 84 2.367 -4.379 -11.559 1.00 0.00 C ATOM 988 CE LYS A 84 2.849 -3.400 -12.618 1.00 0.00 C ATOM 989 NZ LYS A 84 1.747 -2.549 -13.108 1.00 0.00 N ATOM 0 H LYS A 84 3.797 -5.798 -8.287 1.00 0.00 H new ATOM 0 HA LYS A 84 6.125 -5.486 -9.890 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.777 -3.612 -9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.916 -3.542 -10.779 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.104 -5.645 -11.680 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.111 -5.930 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.670 -5.084 -12.011 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.817 -3.836 -10.790 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.638 -2.773 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.284 -3.950 -13.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.113 -1.881 -13.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.013 -3.146 -13.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.337 -2.019 -12.312 1.00 0.00 H new ATOM 1003 N GLY A 85 5.585 -3.058 -7.791 1.00 0.00 N ATOM 1004 CA GLY A 85 6.172 -2.042 -7.041 1.00 0.00 C ATOM 1005 C GLY A 85 6.244 -0.771 -7.761 1.00 0.00 C ATOM 1006 O GLY A 85 6.994 -0.615 -8.730 1.00 0.00 O ATOM 0 H GLY A 85 4.566 -3.065 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.603 -1.901 -6.122 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.177 -2.346 -6.750 1.00 0.00 H new ATOM 1010 N PRO A 86 5.464 0.126 -7.323 1.00 0.00 N ATOM 1011 CA PRO A 86 5.384 1.450 -7.850 1.00 0.00 C ATOM 1012 C PRO A 86 6.381 2.375 -7.150 1.00 0.00 C ATOM 1013 O PRO A 86 7.158 1.920 -6.321 1.00 0.00 O ATOM 1014 CB PRO A 86 3.956 1.791 -7.545 1.00 0.00 C ATOM 1015 CG PRO A 86 3.638 1.075 -6.281 1.00 0.00 C ATOM 1016 CD PRO A 86 4.603 -0.031 -6.156 1.00 0.00 C ATOM 0 HA PRO A 86 5.635 1.548 -8.906 1.00 0.00 H new ATOM 0 HB2 PRO A 86 3.825 2.867 -7.430 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.296 1.474 -8.352 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.712 1.749 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.617 0.695 -6.300 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.171 0.036 -5.228 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.103 -1.000 -6.155 1.00 0.00 H new ATOM 1024 N ASP A 87 6.399 3.632 -7.516 1.00 0.00 N ATOM 1025 CA ASP A 87 7.297 4.614 -6.866 1.00 0.00 C ATOM 1026 C ASP A 87 6.911 4.801 -5.412 1.00 0.00 C ATOM 1027 O ASP A 87 7.768 4.916 -4.514 1.00 0.00 O ATOM 1028 CB ASP A 87 7.251 5.966 -7.570 1.00 0.00 C ATOM 1029 CG ASP A 87 7.931 5.982 -8.913 1.00 0.00 C ATOM 1030 OD1 ASP A 87 7.339 5.523 -9.919 1.00 0.00 O ATOM 1031 OD2 ASP A 87 9.070 6.478 -8.998 1.00 0.00 O ATOM 0 H ASP A 87 5.813 4.020 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 87 8.311 4.219 -6.933 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.210 6.262 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.718 6.714 -6.929 1.00 0.00 H new ATOM 1036 N ASP A 88 5.634 4.823 -5.188 1.00 0.00 N ATOM 1037 CA ASP A 88 5.055 4.952 -3.881 1.00 0.00 C ATOM 1038 C ASP A 88 3.720 4.297 -3.855 1.00 0.00 C ATOM 1039 O ASP A 88 2.960 4.361 -4.822 1.00 0.00 O ATOM 1040 CB ASP A 88 5.022 6.417 -3.362 1.00 0.00 C ATOM 1041 CG ASP A 88 4.463 7.439 -4.344 1.00 0.00 C ATOM 1042 OD1 ASP A 88 5.175 7.813 -5.299 1.00 0.00 O ATOM 1043 OD2 ASP A 88 3.351 7.944 -4.153 1.00 0.00 O ATOM 0 H ASP A 88 4.941 4.749 -5.932 1.00 0.00 H new ATOM 0 HA ASP A 88 5.705 4.433 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.426 6.449 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.036 6.713 -3.091 1.00 0.00 H new ATOM 1048 N ILE A 89 3.475 3.605 -2.788 1.00 0.00 N ATOM 1049 CA ILE A 89 2.252 2.851 -2.582 1.00 0.00 C ATOM 1050 C ILE A 89 1.394 3.591 -1.636 1.00 0.00 C ATOM 1051 O ILE A 89 1.908 4.317 -0.788 1.00 0.00 O ATOM 1052 CB ILE A 89 2.511 1.480 -1.957 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.147 1.636 -0.572 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.385 0.697 -2.868 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.652 1.629 -0.499 1.00 0.00 C ATOM 0 H ILE A 89 4.129 3.539 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 89 1.788 2.717 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 89 1.569 0.948 -1.824 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.793 2.573 -0.141 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.775 0.832 0.063 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.578 -0.284 -2.433 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.891 0.576 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.329 1.223 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.967 1.747 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.031 0.684 -0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.049 2.451 -1.095 1.00 0.00 H new ATOM 1067 N LEU A 90 0.112 3.444 -1.734 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.711 4.165 -0.853 1.00 0.00 C ATOM 1069 C LEU A 90 -0.638 3.522 0.499 1.00 0.00 C ATOM 1070 O LEU A 90 -0.591 2.298 0.609 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.167 4.255 -1.365 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.879 5.610 -1.365 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.184 5.469 -2.062 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.137 6.111 0.011 1.00 0.00 C ATOM 0 H LEU A 90 -0.368 2.842 -2.403 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.354 5.193 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.178 3.879 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.767 3.569 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.229 6.323 -1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.699 6.429 -2.067 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.015 5.142 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.796 4.732 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.644 7.075 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.766 5.399 0.545 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.191 6.227 0.539 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.583 4.343 1.508 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.645 3.861 2.834 1.00 0.00 C ATOM 1088 C LEU A 91 -2.054 3.718 3.139 1.00 0.00 C ATOM 1089 O LEU A 91 -2.896 4.413 2.581 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.099 4.826 3.861 1.00 0.00 C ATOM 1091 CG LEU A 91 1.325 4.624 4.427 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.021 3.390 3.913 1.00 0.00 C ATOM 1093 CD2 LEU A 91 2.172 5.832 4.285 1.00 0.00 C ATOM 0 H LEU A 91 -0.495 5.356 1.424 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.055 2.946 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.135 5.823 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.788 4.825 4.706 1.00 0.00 H new ATOM 0 HG LEU A 91 1.176 4.455 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.014 3.321 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.441 2.507 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.112 3.449 2.828 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.161 5.634 4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.265 6.089 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.714 6.663 4.822 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.318 2.919 4.059 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.666 2.654 4.388 1.00 0.00 C ATOM 1107 C GLY A 92 -4.098 3.572 5.448 1.00 0.00 C ATOM 1108 O GLY A 92 -4.607 3.159 6.481 1.00 0.00 O ATOM 0 H GLY A 92 -1.625 2.420 4.617 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.297 2.775 3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.775 1.621 4.719 1.00 0.00 H new ATOM 1112 N MET A 93 -3.896 4.818 5.197 1.00 0.00 N ATOM 1113 CA MET A 93 -4.129 5.799 6.126 1.00 0.00 C ATOM 1114 C MET A 93 -4.964 6.841 5.518 1.00 0.00 C ATOM 1115 O MET A 93 -4.754 7.211 4.360 1.00 0.00 O ATOM 1116 CB MET A 93 -2.843 6.347 6.705 1.00 0.00 C ATOM 1117 CG MET A 93 -2.635 7.837 6.514 1.00 0.00 C ATOM 1118 SD MET A 93 -1.139 8.423 7.277 1.00 0.00 S ATOM 1119 CE MET A 93 0.040 7.247 6.678 1.00 0.00 C ATOM 0 H MET A 93 -3.552 5.165 4.302 1.00 0.00 H new ATOM 0 HA MET A 93 -4.667 5.373 6.973 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.820 6.127 7.772 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.004 5.818 6.252 1.00 0.00 H new ATOM 0 HG2 MET A 93 -2.607 8.062 5.448 1.00 0.00 H new ATOM 0 HG3 MET A 93 -3.486 8.375 6.931 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.018 7.721 6.597 1.00 0.00 H new ATOM 0 HE2 MET A 93 0.100 6.407 7.370 1.00 0.00 H new ATOM 0 HE3 MET A 93 -0.271 6.887 5.697 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.880 7.326 6.255 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.781 8.252 5.725 1.00 0.00 C ATOM 1131 C PHE A 94 -6.792 9.446 6.556 1.00 0.00 C ATOM 1132 O PHE A 94 -6.376 9.404 7.720 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.158 7.639 5.570 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.893 7.247 6.795 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.604 6.093 7.345 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.908 8.007 7.329 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.243 5.605 8.404 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.579 7.544 8.432 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.226 6.316 8.959 1.00 0.00 C ATOM 0 H PHE A 94 -6.024 7.092 7.237 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.461 8.543 4.724 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.778 8.349 5.023 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.059 6.753 4.943 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.805 5.508 6.915 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -10.173 8.955 6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.969 4.643 8.811 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.369 8.128 8.881 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.748 5.931 9.823 1.00 0.00 H new ATOM 1149 N TYR A 95 -7.260 10.486 6.011 1.00 0.00 N ATOM 1150 CA TYR A 95 -7.222 11.713 6.690 1.00 0.00 C ATOM 1151 C TYR A 95 -8.597 12.136 7.082 1.00 0.00 C ATOM 1152 O TYR A 95 -9.386 12.620 6.270 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.459 12.801 5.911 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.393 14.108 6.641 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.882 14.159 7.910 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.845 15.276 6.068 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.816 15.325 8.607 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.784 16.470 6.756 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.268 16.486 8.030 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.199 17.667 8.728 1.00 0.00 O ATOM 0 H TYR A 95 -7.681 10.517 5.083 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.650 11.568 7.606 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.446 12.453 5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.941 12.954 4.946 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.522 13.250 8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.252 15.257 5.068 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.411 15.338 9.608 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.138 17.382 6.299 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.559 18.394 8.178 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.898 11.898 8.321 1.00 0.00 N ATOM 1171 CA ASP A 96 -10.137 12.302 8.871 1.00 0.00 C ATOM 1172 C ASP A 96 -10.004 13.746 9.182 1.00 0.00 C ATOM 1173 O ASP A 96 -9.176 14.107 10.001 1.00 0.00 O ATOM 1174 CB ASP A 96 -10.410 11.577 10.142 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.768 11.903 10.699 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -12.789 11.416 10.159 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -11.839 12.639 11.685 1.00 0.00 O ATOM 0 H ASP A 96 -8.282 11.415 8.975 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.947 12.094 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.338 10.503 9.969 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.646 11.833 10.876 1.00 0.00 H new ATOM 1182 N THR A 97 -10.753 14.559 8.540 1.00 0.00 N ATOM 1183 CA THR A 97 -10.626 15.986 8.689 1.00 0.00 C ATOM 1184 C THR A 97 -11.267 16.502 9.968 1.00 0.00 C ATOM 1185 O THR A 97 -10.942 17.591 10.447 1.00 0.00 O ATOM 1186 CB THR A 97 -11.188 16.679 7.460 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.513 16.167 7.183 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.292 16.393 6.282 1.00 0.00 C ATOM 0 H THR A 97 -11.481 14.267 7.888 1.00 0.00 H new ATOM 0 HA THR A 97 -9.565 16.221 8.775 1.00 0.00 H new ATOM 0 HB THR A 97 -11.241 17.753 7.636 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.878 16.615 6.391 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.688 16.887 5.395 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.289 16.767 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.250 15.318 6.110 1.00 0.00 H new ATOM 1196 N ASP A 98 -12.138 15.696 10.522 1.00 0.00 N ATOM 1197 CA ASP A 98 -12.829 15.996 11.783 1.00 0.00 C ATOM 1198 C ASP A 98 -11.855 15.984 12.926 1.00 0.00 C ATOM 1199 O ASP A 98 -11.780 16.924 13.714 1.00 0.00 O ATOM 1200 CB ASP A 98 -13.907 14.957 12.053 1.00 0.00 C ATOM 1201 CG ASP A 98 -14.630 15.182 13.364 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -15.542 16.032 13.405 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -14.294 14.508 14.376 1.00 0.00 O ATOM 0 H ASP A 98 -12.401 14.798 10.116 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.282 16.984 11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.631 14.972 11.238 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.455 13.965 12.059 1.00 0.00 H new ATOM 1208 N ASP A 99 -11.101 14.918 12.989 1.00 0.00 N ATOM 1209 CA ASP A 99 -10.097 14.716 14.037 1.00 0.00 C ATOM 1210 C ASP A 99 -8.858 15.408 13.606 1.00 0.00 C ATOM 1211 O ASP A 99 -8.001 15.756 14.411 1.00 0.00 O ATOM 1212 CB ASP A 99 -9.768 13.227 14.158 1.00 0.00 C ATOM 1213 CG ASP A 99 -8.949 12.852 15.378 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -8.882 13.630 16.352 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -8.373 11.739 15.396 1.00 0.00 O ATOM 0 H ASP A 99 -11.155 14.152 12.317 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.472 15.095 14.988 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -10.701 12.664 14.178 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.226 12.916 13.265 1.00 0.00 H new ATOM 1220 N ALA A 100 -8.792 15.595 12.301 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.659 16.131 11.611 1.00 0.00 C ATOM 1222 C ALA A 100 -6.479 15.209 11.833 1.00 0.00 C ATOM 1223 O ALA A 100 -5.359 15.647 12.109 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.368 17.575 12.011 1.00 0.00 C ATOM 0 H ALA A 100 -9.565 15.364 11.677 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.873 16.176 10.543 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.500 17.937 11.461 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.231 18.198 11.778 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.165 17.622 13.081 1.00 0.00 H new ATOM 1230 N SER A 101 -6.726 13.914 11.656 1.00 0.00 N ATOM 1231 CA SER A 101 -5.727 12.941 11.932 1.00 0.00 C ATOM 1232 C SER A 101 -5.676 11.914 10.886 1.00 0.00 C ATOM 1233 O SER A 101 -6.664 11.667 10.166 1.00 0.00 O ATOM 1234 CB SER A 101 -5.993 12.298 13.274 1.00 0.00 C ATOM 1235 OG SER A 101 -5.078 11.261 13.621 1.00 0.00 O ATOM 0 H SER A 101 -7.613 13.536 11.323 1.00 0.00 H new ATOM 0 HA SER A 101 -4.761 13.446 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 101 -5.961 13.068 14.045 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.004 11.889 13.274 1.00 0.00 H new ATOM 0 HG SER A 101 -5.314 10.897 14.500 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.546 11.324 10.807 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.317 10.273 9.926 1.00 0.00 C ATOM 1243 C PHE A 102 -4.599 8.983 10.628 1.00 0.00 C ATOM 1244 O PHE A 102 -4.095 8.724 11.728 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.940 10.286 9.365 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.623 11.490 8.620 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.039 11.620 7.324 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.907 12.509 9.218 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.742 12.766 6.630 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.606 13.645 8.538 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.018 13.785 7.249 1.00 0.00 C ATOM 0 H PHE A 102 -3.737 11.575 11.376 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.989 10.388 9.075 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -2.225 10.175 10.180 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.816 9.422 8.712 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.597 10.826 6.850 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.582 12.400 10.242 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.068 12.879 5.607 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.043 14.432 9.017 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.784 14.687 6.704 1.00 0.00 H new ATOM 1261 N LYS A 103 -5.404 8.198 10.019 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.921 7.021 10.636 1.00 0.00 C ATOM 1263 C LYS A 103 -5.644 5.856 9.779 1.00 0.00 C ATOM 1264 O LYS A 103 -5.747 5.960 8.584 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.421 7.201 10.759 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.750 8.556 11.285 1.00 0.00 C ATOM 1267 CD LYS A 103 -9.144 8.784 11.612 1.00 0.00 C ATOM 1268 CE LYS A 103 -9.217 9.852 12.674 1.00 0.00 C ATOM 1269 NZ LYS A 103 -8.685 9.406 13.990 1.00 0.00 N ATOM 0 H LYS A 103 -5.732 8.350 9.065 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.462 6.861 11.612 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.890 7.060 9.785 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.830 6.439 11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.153 8.733 12.180 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.444 9.296 10.546 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.696 9.094 10.724 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.605 7.863 11.969 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.658 10.726 12.340 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -10.254 10.165 12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.855 10.145 14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.165 8.530 14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -7.663 9.231 13.910 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.279 4.767 10.362 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.097 3.580 9.609 1.00 0.00 C ATOM 1285 C TRP A 104 -6.451 2.969 9.314 1.00 0.00 C ATOM 1286 O TRP A 104 -7.335 2.969 10.181 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.243 2.571 10.374 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.797 2.944 10.558 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.134 3.083 11.737 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.830 3.202 9.528 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.817 3.385 11.501 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.612 3.480 10.163 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.875 3.222 8.138 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.546 3.777 9.459 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.725 3.516 7.440 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.470 3.790 8.101 1.00 0.00 C ATOM 0 H TRP A 104 -5.101 4.676 11.362 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.584 3.831 8.681 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.687 2.419 11.358 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.289 1.615 9.852 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.579 2.972 12.715 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -0.104 3.517 12.218 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.796 3.011 7.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.473 3.990 9.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.750 3.534 6.360 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.354 4.017 7.524 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.626 2.461 8.103 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.837 1.724 7.739 1.00 0.00 C ATOM 1309 C PHE A 105 -7.897 0.429 8.519 1.00 0.00 C ATOM 1310 O PHE A 105 -8.950 -0.152 8.711 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.921 1.440 6.241 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.436 2.574 5.439 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.716 3.024 5.657 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.666 3.204 4.476 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.213 4.065 4.938 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.154 4.223 3.777 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.431 4.664 3.996 1.00 0.00 C ATOM 0 H PHE A 105 -5.944 2.544 7.349 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.691 2.352 7.992 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.929 1.172 5.877 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.564 0.574 6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.332 2.547 6.405 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.658 2.863 4.291 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.220 4.415 5.112 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.540 4.706 3.032 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.821 5.490 3.420 1.00 0.00 H new ATOM 1327 N ASP A 106 -6.727 0.043 9.010 1.00 0.00 N ATOM 1328 CA ASP A 106 -6.507 -1.111 9.912 1.00 0.00 C ATOM 1329 C ASP A 106 -7.172 -0.855 11.280 1.00 0.00 C ATOM 1330 O ASP A 106 -7.233 -1.731 12.141 1.00 0.00 O ATOM 1331 CB ASP A 106 -4.986 -1.294 10.018 1.00 0.00 C ATOM 1332 CG ASP A 106 -4.413 -2.110 11.173 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -4.492 -3.358 11.168 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -3.745 -1.500 12.050 1.00 0.00 O ATOM 0 H ASP A 106 -5.862 0.536 8.790 1.00 0.00 H new ATOM 0 HA ASP A 106 -6.961 -2.024 9.528 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -4.646 -1.754 9.090 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -4.539 -0.301 10.064 1.00 0.00 H new ATOM 1339 N ASN A 107 -7.647 0.388 11.448 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.429 0.876 12.599 1.00 0.00 C ATOM 1341 C ASN A 107 -7.615 1.115 13.841 1.00 0.00 C ATOM 1342 O ASN A 107 -8.092 1.743 14.802 1.00 0.00 O ATOM 1343 CB ASN A 107 -9.680 0.026 12.903 1.00 0.00 C ATOM 1344 CG ASN A 107 -10.738 0.090 11.817 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -10.789 -0.751 10.914 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -11.576 1.085 11.882 1.00 0.00 N ATOM 0 H ASN A 107 -7.490 1.117 10.752 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.781 1.854 12.271 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.378 -1.012 13.043 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.117 0.361 13.844 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -12.302 1.187 11.173 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.506 1.762 12.642 1.00 0.00 H new ATOM 1353 N SER A 108 -6.411 0.643 13.841 1.00 0.00 N ATOM 1354 CA SER A 108 -5.556 0.823 14.959 1.00 0.00 C ATOM 1355 C SER A 108 -4.864 2.191 14.900 1.00 0.00 C ATOM 1356 O SER A 108 -4.770 2.810 13.822 1.00 0.00 O ATOM 1357 CB SER A 108 -4.554 -0.317 15.034 1.00 0.00 C ATOM 1358 OG SER A 108 -5.214 -1.583 15.151 1.00 0.00 O ATOM 0 H SER A 108 -5.997 0.124 13.067 1.00 0.00 H new ATOM 0 HA SER A 108 -6.152 0.806 15.871 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.927 -0.312 14.142 1.00 0.00 H new ATOM 0 HB3 SER A 108 -3.894 -0.168 15.889 1.00 0.00 H new ATOM 0 HG SER A 108 -4.545 -2.298 15.195 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.418 2.646 16.057 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.743 3.929 16.233 1.00 0.00 C ATOM 1366 C ASN A 109 -2.501 3.998 15.386 1.00 0.00 C ATOM 1367 O ASN A 109 -1.821 2.974 15.171 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.296 4.092 17.699 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.665 5.407 18.001 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.963 6.424 17.383 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.828 5.414 18.965 1.00 0.00 N ATOM 0 H ASN A 109 -4.516 2.122 16.927 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.446 4.711 15.945 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.161 3.959 18.348 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.590 3.298 17.942 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.381 6.287 19.246 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.606 4.547 19.454 1.00 0.00 H new ATOM 1378 N MET A 110 -2.193 5.165 14.895 1.00 0.00 N ATOM 1379 CA MET A 110 -0.950 5.344 14.221 1.00 0.00 C ATOM 1380 C MET A 110 0.134 5.511 15.266 1.00 0.00 C ATOM 1381 O MET A 110 0.376 6.608 15.786 1.00 0.00 O ATOM 1382 CB MET A 110 -1.002 6.514 13.264 1.00 0.00 C ATOM 1383 CG MET A 110 0.257 6.697 12.435 1.00 0.00 C ATOM 1384 SD MET A 110 0.022 7.886 11.114 1.00 0.00 S ATOM 1385 CE MET A 110 -1.357 7.109 10.266 1.00 0.00 C ATOM 0 H MET A 110 -2.782 5.996 14.950 1.00 0.00 H new ATOM 0 HA MET A 110 -0.730 4.469 13.609 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.850 6.382 12.592 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.185 7.426 13.832 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.071 7.027 13.080 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.555 5.738 12.011 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.059 6.847 9.251 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.652 6.207 10.802 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.198 7.801 10.229 1.00 0.00 H new ATOM 1395 N THR A 111 0.707 4.399 15.629 1.00 0.00 N ATOM 1396 CA THR A 111 1.709 4.334 16.641 1.00 0.00 C ATOM 1397 C THR A 111 3.114 4.539 16.056 1.00 0.00 C ATOM 1398 O THR A 111 4.033 4.961 16.750 1.00 0.00 O ATOM 1399 CB THR A 111 1.598 2.982 17.372 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.553 1.910 16.403 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.329 2.934 18.226 1.00 0.00 C ATOM 0 H THR A 111 0.481 3.494 15.216 1.00 0.00 H new ATOM 0 HA THR A 111 1.547 5.142 17.354 1.00 0.00 H new ATOM 0 HB THR A 111 2.468 2.867 18.019 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.633 1.582 16.321 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.269 1.972 18.734 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.358 3.734 18.966 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.545 3.062 17.587 1.00 0.00 H new ATOM 1409 N PHE A 112 3.268 4.257 14.774 1.00 0.00 N ATOM 1410 CA PHE A 112 4.533 4.454 14.111 1.00 0.00 C ATOM 1411 C PHE A 112 4.309 5.280 12.901 1.00 0.00 C ATOM 1412 O PHE A 112 3.224 5.225 12.312 1.00 0.00 O ATOM 1413 CB PHE A 112 5.161 3.146 13.679 1.00 0.00 C ATOM 1414 CG PHE A 112 6.611 3.306 13.320 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.577 3.483 14.292 1.00 0.00 C ATOM 1416 CD2 PHE A 112 6.983 3.313 12.016 1.00 0.00 C ATOM 1417 CE1 PHE A 112 8.900 3.659 13.945 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.299 3.493 11.646 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.263 3.667 12.618 1.00 0.00 C ATOM 0 H PHE A 112 2.528 3.890 14.176 1.00 0.00 H new ATOM 0 HA PHE A 112 5.207 4.941 14.816 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.066 2.416 14.483 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.617 2.749 12.822 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.293 3.484 15.334 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.233 3.175 11.251 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.649 3.790 14.712 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.574 3.498 10.602 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.297 3.809 12.339 1.00 0.00 H new ATOM 1429 N ASP A 113 5.315 6.027 12.516 1.00 0.00 N ATOM 1430 CA ASP A 113 5.235 6.850 11.360 1.00 0.00 C ATOM 1431 C ASP A 113 6.565 7.162 10.816 1.00 0.00 C ATOM 1432 O ASP A 113 7.559 7.196 11.539 1.00 0.00 O ATOM 1433 CB ASP A 113 4.443 8.127 11.605 1.00 0.00 C ATOM 1434 CG ASP A 113 5.044 9.018 12.687 1.00 0.00 C ATOM 1435 OD1 ASP A 113 5.985 9.798 12.416 1.00 0.00 O ATOM 1436 OD2 ASP A 113 4.562 8.976 13.832 1.00 0.00 O ATOM 0 H ASP A 113 6.209 6.073 13.005 1.00 0.00 H new ATOM 0 HA ASP A 113 4.692 6.268 10.615 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.381 8.691 10.674 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.423 7.864 11.887 1.00 0.00 H new ATOM 1441 N LYS A 114 6.593 7.313 9.519 1.00 0.00 N ATOM 1442 CA LYS A 114 7.760 7.722 8.825 1.00 0.00 C ATOM 1443 C LYS A 114 7.391 8.926 7.994 1.00 0.00 C ATOM 1444 O LYS A 114 7.341 8.866 6.780 1.00 0.00 O ATOM 1445 CB LYS A 114 8.217 6.609 7.907 1.00 0.00 C ATOM 1446 CG LYS A 114 8.662 5.347 8.598 1.00 0.00 C ATOM 1447 CD LYS A 114 10.037 5.473 9.203 1.00 0.00 C ATOM 1448 CE LYS A 114 11.097 5.663 8.122 1.00 0.00 C ATOM 1449 NZ LYS A 114 11.061 4.644 7.100 1.00 0.00 N ATOM 0 H LYS A 114 5.787 7.150 8.916 1.00 0.00 H new ATOM 0 HA LYS A 114 8.562 7.959 9.525 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.401 6.363 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.041 6.979 7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.946 5.093 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.657 4.524 7.883 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.059 6.318 9.891 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.264 4.581 9.787 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.960 6.639 7.657 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.083 5.667 8.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.995 4.572 6.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 10.813 3.730 7.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.349 4.895 6.385 1.00 0.00 H new ATOM 1463 N TRP A 115 7.124 10.002 8.640 1.00 0.00 N ATOM 1464 CA TRP A 115 6.716 11.196 7.953 1.00 0.00 C ATOM 1465 C TRP A 115 7.907 11.981 7.509 1.00 0.00 C ATOM 1466 O TRP A 115 8.874 12.146 8.264 1.00 0.00 O ATOM 1467 CB TRP A 115 5.851 12.075 8.828 1.00 0.00 C ATOM 1468 CG TRP A 115 4.526 11.538 9.150 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.085 11.175 10.340 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.475 11.342 8.256 1.00 0.00 C ATOM 1471 NE1 TRP A 115 2.789 10.747 10.267 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.391 10.842 8.982 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.346 11.540 6.914 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.188 10.541 8.392 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.171 11.244 6.330 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.097 10.753 7.053 1.00 0.00 C ATOM 0 H TRP A 115 7.178 10.091 9.655 1.00 0.00 H new ATOM 0 HA TRP A 115 6.135 10.881 7.086 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.383 12.265 9.760 1.00 0.00 H new ATOM 0 HB3 TRP A 115 5.723 13.037 8.332 1.00 0.00 H new ATOM 0 HD1 TRP A 115 4.669 11.211 11.248 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.222 10.414 11.047 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.170 11.926 6.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.357 10.155 8.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.062 11.394 5.266 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.170 10.535 6.543 1.00 0.00 H new ATOM 1487 N THR A 116 7.859 12.438 6.310 1.00 0.00 N ATOM 1488 CA THR A 116 8.889 13.266 5.796 1.00 0.00 C ATOM 1489 C THR A 116 8.383 14.697 5.853 1.00 0.00 C ATOM 1490 O THR A 116 7.176 14.916 6.102 1.00 0.00 O ATOM 1491 CB THR A 116 9.252 12.854 4.347 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.403 13.552 3.886 1.00 0.00 O ATOM 1493 CG2 THR A 116 8.095 13.033 3.362 1.00 0.00 C ATOM 0 H THR A 116 7.101 12.247 5.655 1.00 0.00 H new ATOM 0 HA THR A 116 9.800 13.164 6.386 1.00 0.00 H new ATOM 0 HB THR A 116 9.474 11.788 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.190 12.973 3.964 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.415 12.727 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.251 12.419 3.677 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.794 14.080 3.341 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.252 19.107 3.964 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.477 18.371 3.014 1.00 0.00 C ATOM 1595 C LEU A 124 -4.372 17.370 2.315 1.00 0.00 C ATOM 1596 O LEU A 124 -3.974 16.281 1.951 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.231 17.707 3.658 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.306 17.164 5.104 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.303 18.266 6.157 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.480 16.232 5.287 1.00 0.00 C ATOM 0 HA LEU A 124 -3.080 19.062 2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.937 16.878 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.422 18.437 3.627 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.392 16.590 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.357 17.820 7.150 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -1.386 18.849 6.071 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.163 18.918 6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.501 15.870 6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.406 16.766 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.383 15.386 4.607 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.570 17.803 2.074 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.608 16.965 1.532 1.00 0.00 C ATOM 1614 C VAL A 125 -6.443 16.800 0.010 1.00 0.00 C ATOM 1615 O VAL A 125 -7.020 15.909 -0.608 1.00 0.00 O ATOM 1616 CB VAL A 125 -8.009 17.560 1.899 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.163 16.741 1.349 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -8.134 17.675 3.402 1.00 0.00 C ATOM 0 H VAL A 125 -5.865 18.764 2.249 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.530 15.971 1.971 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.070 18.545 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.107 17.204 1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.095 16.701 0.262 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.117 15.730 1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -9.110 18.089 3.655 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -8.031 16.688 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.351 18.331 3.783 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.609 17.616 -0.561 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.387 17.596 -2.014 1.00 0.00 C ATOM 1630 C ASP A 126 -4.369 16.515 -2.412 1.00 0.00 C ATOM 1631 O ASP A 126 -4.246 16.118 -3.583 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.968 18.981 -2.494 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.651 19.045 -3.962 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -5.577 18.984 -4.792 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -3.467 19.191 -4.306 1.00 0.00 O ATOM 0 H ASP A 126 -5.060 18.314 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.323 17.335 -2.508 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.767 19.689 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -4.093 19.302 -1.929 1.00 0.00 H new ATOM 1640 N THR A 127 -3.719 16.002 -1.436 1.00 0.00 N ATOM 1641 CA THR A 127 -2.728 14.988 -1.611 1.00 0.00 C ATOM 1642 C THR A 127 -3.138 13.802 -0.761 1.00 0.00 C ATOM 1643 O THR A 127 -4.142 13.889 -0.035 1.00 0.00 O ATOM 1644 CB THR A 127 -1.320 15.532 -1.227 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.306 14.504 -1.250 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.358 16.214 0.115 1.00 0.00 C ATOM 0 H THR A 127 -3.859 16.277 -0.464 1.00 0.00 H new ATOM 0 HA THR A 127 -2.660 14.678 -2.654 1.00 0.00 H new ATOM 0 HB THR A 127 -1.046 16.266 -1.985 1.00 0.00 H new ATOM 0 HG1 THR A 127 -0.345 14.025 -2.104 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.364 16.586 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 127 -2.059 17.048 0.080 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.679 15.502 0.876 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.412 12.719 -0.836 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.767 11.535 -0.102 1.00 0.00 C ATOM 1656 C CYS A 128 -1.573 11.065 0.717 1.00 0.00 C ATOM 1657 O CYS A 128 -0.592 11.795 0.854 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.171 10.415 -1.034 1.00 0.00 C ATOM 1659 SG CYS A 128 -3.756 10.894 -2.696 1.00 0.00 S ATOM 0 H CYS A 128 -1.567 12.632 -1.401 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.608 11.783 0.546 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.317 9.749 -1.154 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.959 9.839 -0.550 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.635 9.839 1.244 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.518 9.318 1.968 1.00 0.00 C ATOM 1666 C ALA A 129 0.042 8.182 1.209 1.00 0.00 C ATOM 1667 O ALA A 129 -0.614 7.181 1.021 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.967 8.778 3.340 1.00 0.00 C ATOM 0 H ALA A 129 -2.438 9.214 1.175 1.00 0.00 H new ATOM 0 HA ALA A 129 0.213 10.114 2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.103 8.385 3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.418 9.584 3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.697 7.982 3.196 1.00 0.00 H new ATOM 1674 N PHE A 130 1.255 8.278 0.825 1.00 0.00 N ATOM 1675 CA PHE A 130 1.870 7.167 0.198 1.00 0.00 C ATOM 1676 C PHE A 130 3.183 6.978 0.788 1.00 0.00 C ATOM 1677 O PHE A 130 3.905 7.945 1.049 1.00 0.00 O ATOM 1678 CB PHE A 130 2.070 7.262 -1.329 1.00 0.00 C ATOM 1679 CG PHE A 130 0.844 7.272 -2.245 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.209 8.133 -2.068 1.00 0.00 C ATOM 1681 CD2 PHE A 130 0.798 6.398 -3.324 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.279 8.119 -2.943 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.269 6.381 -4.189 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.307 7.243 -3.999 1.00 0.00 C ATOM 0 H PHE A 130 1.842 9.105 0.930 1.00 0.00 H new ATOM 0 HA PHE A 130 1.178 6.341 0.360 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.636 8.172 -1.529 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.697 6.423 -1.630 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.202 8.826 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.620 5.716 -3.486 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.101 8.804 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -0.285 5.687 -5.016 1.00 0.00 H new ATOM 0 HZ PHE A 130 -2.148 7.237 -4.676 1.00 0.00 H new ATOM 1694 N LEU A 131 3.447 5.786 1.079 1.00 0.00 N ATOM 1695 CA LEU A 131 4.755 5.382 1.447 1.00 0.00 C ATOM 1696 C LEU A 131 5.661 5.276 0.216 1.00 0.00 C ATOM 1697 O LEU A 131 5.342 4.605 -0.758 1.00 0.00 O ATOM 1698 CB LEU A 131 4.654 4.077 2.135 1.00 0.00 C ATOM 1699 CG LEU A 131 5.920 3.334 2.374 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.837 4.083 3.250 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.635 1.981 2.909 1.00 0.00 C ATOM 0 H LEU A 131 2.759 5.033 1.074 1.00 0.00 H new ATOM 0 HA LEU A 131 5.199 6.123 2.111 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.171 4.240 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.992 3.438 1.551 1.00 0.00 H new ATOM 0 HG LEU A 131 6.427 3.219 1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.750 3.506 3.400 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.084 5.038 2.787 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.357 4.260 4.213 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.573 1.452 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.093 2.069 3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.029 1.426 2.192 1.00 0.00 H new ATOM 1713 N HIS A 132 6.768 5.974 0.272 1.00 0.00 N ATOM 1714 CA HIS A 132 7.756 5.984 -0.796 1.00 0.00 C ATOM 1715 C HIS A 132 8.534 4.698 -0.797 1.00 0.00 C ATOM 1716 O HIS A 132 9.240 4.420 0.126 1.00 0.00 O ATOM 1717 CB HIS A 132 8.721 7.153 -0.590 1.00 0.00 C ATOM 1718 CG HIS A 132 9.571 7.552 -1.769 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.521 8.530 -1.694 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.607 7.105 -3.041 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.103 8.674 -2.849 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.565 7.820 -3.697 1.00 0.00 N ATOM 0 H HIS A 132 7.018 6.561 1.068 1.00 0.00 H new ATOM 0 HA HIS A 132 7.240 6.092 -1.750 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.140 8.022 -0.281 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.385 6.903 0.238 1.00 0.00 H new ATOM 0 HD1 HIS A 132 10.742 9.068 -0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.991 6.325 -3.462 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.893 9.375 -3.075 1.00 0.00 H new ATOM 1731 N ILE A 133 8.448 3.995 -1.878 1.00 0.00 N ATOM 1732 CA ILE A 133 9.121 2.738 -2.107 1.00 0.00 C ATOM 1733 C ILE A 133 10.625 2.875 -2.046 1.00 0.00 C ATOM 1734 O ILE A 133 11.333 1.942 -1.663 1.00 0.00 O ATOM 1735 CB ILE A 133 8.662 2.141 -3.481 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.414 1.276 -3.336 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.759 1.471 -4.312 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.494 0.257 -2.253 1.00 0.00 C ATOM 0 H ILE A 133 7.879 4.288 -2.672 1.00 0.00 H new ATOM 0 HA ILE A 133 8.842 2.053 -1.306 1.00 0.00 H new ATOM 0 HB ILE A 133 8.395 3.012 -4.080 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.558 1.924 -3.146 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.226 0.769 -4.282 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.332 1.093 -5.241 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.538 2.198 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.189 0.643 -3.748 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.565 -0.313 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.327 -0.418 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.648 0.755 -1.296 1.00 0.00 H new ATOM 1750 N LYS A 134 11.096 4.039 -2.383 1.00 0.00 N ATOM 1751 CA LYS A 134 12.521 4.255 -2.436 1.00 0.00 C ATOM 1752 C LYS A 134 13.114 4.555 -1.069 1.00 0.00 C ATOM 1753 O LYS A 134 14.106 3.946 -0.684 1.00 0.00 O ATOM 1754 CB LYS A 134 12.890 5.329 -3.452 1.00 0.00 C ATOM 1755 CG LYS A 134 12.469 4.994 -4.888 1.00 0.00 C ATOM 1756 CD LYS A 134 12.790 6.104 -5.876 1.00 0.00 C ATOM 1757 CE LYS A 134 14.260 6.327 -5.978 1.00 0.00 C ATOM 1758 NZ LYS A 134 14.596 7.488 -6.830 1.00 0.00 N ATOM 0 H LYS A 134 10.525 4.849 -2.624 1.00 0.00 H new ATOM 0 HA LYS A 134 12.964 3.317 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.425 6.270 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 134 13.969 5.485 -3.427 1.00 0.00 H new ATOM 0 HG2 LYS A 134 12.970 4.079 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.398 4.795 -4.909 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.390 5.848 -6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.301 7.026 -5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.672 6.481 -4.980 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.733 5.433 -6.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.629 7.602 -6.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.228 7.332 -7.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.168 8.347 -6.430 1.00 0.00 H new ATOM 1772 N THR A 135 12.499 5.452 -0.322 1.00 0.00 N ATOM 1773 CA THR A 135 13.070 5.851 0.964 1.00 0.00 C ATOM 1774 C THR A 135 12.268 5.344 2.158 1.00 0.00 C ATOM 1775 O THR A 135 12.826 5.023 3.200 1.00 0.00 O ATOM 1776 CB THR A 135 13.213 7.378 1.048 1.00 0.00 C ATOM 1777 OG1 THR A 135 11.949 8.006 0.747 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.258 7.865 0.072 1.00 0.00 C ATOM 0 H THR A 135 11.624 5.913 -0.569 1.00 0.00 H new ATOM 0 HA THR A 135 14.055 5.386 1.014 1.00 0.00 H new ATOM 0 HB THR A 135 13.521 7.641 2.060 1.00 0.00 H new ATOM 0 HG1 THR A 135 11.916 8.892 1.165 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.347 8.949 0.145 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.218 7.406 0.308 1.00 0.00 H new ATOM 0 HG23 THR A 135 13.964 7.592 -0.942 1.00 0.00 H new ATOM 1786 N GLY A 136 10.969 5.249 1.994 1.00 0.00 N ATOM 1787 CA GLY A 136 10.120 4.838 3.086 1.00 0.00 C ATOM 1788 C GLY A 136 9.657 5.992 3.878 1.00 0.00 C ATOM 1789 O GLY A 136 9.652 5.958 5.103 1.00 0.00 O ATOM 0 H GLY A 136 10.480 5.449 1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.259 4.296 2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.664 4.148 3.731 1.00 0.00 H new ATOM 1793 N GLU A 137 9.264 6.993 3.172 1.00 0.00 N ATOM 1794 CA GLU A 137 8.809 8.230 3.730 1.00 0.00 C ATOM 1795 C GLU A 137 7.383 8.424 3.331 1.00 0.00 C ATOM 1796 O GLU A 137 6.983 7.967 2.248 1.00 0.00 O ATOM 1797 CB GLU A 137 9.652 9.349 3.204 1.00 0.00 C ATOM 1798 CG GLU A 137 11.061 9.362 3.746 1.00 0.00 C ATOM 1799 CD GLU A 137 11.884 10.481 3.179 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.376 10.358 2.041 1.00 0.00 O ATOM 1801 OE2 GLU A 137 12.067 11.504 3.860 1.00 0.00 O ATOM 0 H GLU A 137 9.248 6.978 2.152 1.00 0.00 H new ATOM 0 HA GLU A 137 8.888 8.216 4.817 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.692 9.280 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.172 10.297 3.446 1.00 0.00 H new ATOM 0 HG2 GLU A 137 11.028 9.453 4.832 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.543 8.411 3.520 1.00 0.00 H new ATOM 1808 N TRP A 138 6.606 9.031 4.193 1.00 0.00 N ATOM 1809 CA TRP A 138 5.199 9.171 3.938 1.00 0.00 C ATOM 1810 C TRP A 138 4.813 10.586 3.584 1.00 0.00 C ATOM 1811 O TRP A 138 5.458 11.554 3.991 1.00 0.00 O ATOM 1812 CB TRP A 138 4.393 8.730 5.149 1.00 0.00 C ATOM 1813 CG TRP A 138 4.722 7.372 5.658 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.459 6.404 5.051 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.279 6.812 6.873 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.548 5.326 5.866 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.828 5.538 6.963 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.489 7.268 7.897 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.621 4.717 8.019 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.272 6.430 8.969 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.845 5.162 9.016 1.00 0.00 C ATOM 0 H TRP A 138 6.925 9.434 5.074 1.00 0.00 H new ATOM 0 HA TRP A 138 4.975 8.534 3.082 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.547 9.451 5.952 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.334 8.760 4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.905 6.483 4.070 1.00 0.00 H new ATOM 0 HE1 TRP A 138 6.085 4.482 5.668 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.050 8.254 7.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.067 3.734 8.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.648 6.762 9.785 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.661 4.527 9.870 1.00 0.00 H new ATOM 1832 N LYS A 139 3.725 10.672 2.889 1.00 0.00 N ATOM 1833 CA LYS A 139 3.107 11.888 2.460 1.00 0.00 C ATOM 1834 C LYS A 139 1.835 12.025 3.169 1.00 0.00 C ATOM 1835 O LYS A 139 1.202 11.046 3.493 1.00 0.00 O ATOM 1836 CB LYS A 139 2.864 11.876 0.961 1.00 0.00 C ATOM 1837 CG LYS A 139 4.121 12.114 0.207 1.00 0.00 C ATOM 1838 CD LYS A 139 3.968 11.990 -1.302 1.00 0.00 C ATOM 1839 CE LYS A 139 3.564 10.591 -1.731 1.00 0.00 C ATOM 1840 NZ LYS A 139 3.534 10.463 -3.201 1.00 0.00 N ATOM 0 H LYS A 139 3.211 9.844 2.586 1.00 0.00 H new ATOM 0 HA LYS A 139 3.764 12.729 2.682 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.438 10.917 0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.133 12.642 0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.492 13.111 0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.876 11.404 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.220 12.703 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.909 12.257 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.264 9.866 -1.316 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.581 10.354 -1.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.238 9.500 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.860 11.150 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 4.483 10.648 -3.585 1.00 0.00 H new ATOM 1854 N LYS A 140 1.491 13.208 3.433 1.00 0.00 N ATOM 1855 CA LYS A 140 0.314 13.499 4.226 1.00 0.00 C ATOM 1856 C LYS A 140 -0.876 13.790 3.374 1.00 0.00 C ATOM 1857 O LYS A 140 -0.809 14.671 2.549 1.00 0.00 O ATOM 1858 CB LYS A 140 0.558 14.695 5.106 1.00 0.00 C ATOM 1859 CG LYS A 140 1.584 14.494 6.163 1.00 0.00 C ATOM 1860 CD LYS A 140 1.657 15.695 7.033 1.00 0.00 C ATOM 1861 CE LYS A 140 2.730 15.530 8.086 1.00 0.00 C ATOM 1862 NZ LYS A 140 2.907 16.745 8.900 1.00 0.00 N ATOM 0 H LYS A 140 2.001 14.033 3.117 1.00 0.00 H new ATOM 0 HA LYS A 140 0.115 12.611 4.826 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.862 15.533 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.382 14.977 5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 140 1.336 13.616 6.760 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.556 14.305 5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.868 16.576 6.427 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.693 15.861 7.513 1.00 0.00 H new ATOM 0 HE2 LYS A 140 2.472 14.694 8.736 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.674 15.278 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 3.652 16.584 9.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 3.179 17.538 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 2.015 16.972 9.383 1.00 0.00 H new ATOM 1876 N GLY A 141 -1.958 13.067 3.584 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.172 13.346 2.888 1.00 0.00 C ATOM 1878 C GLY A 141 -4.133 12.189 2.897 1.00 0.00 C ATOM 1879 O GLY A 141 -3.971 11.227 3.646 1.00 0.00 O ATOM 0 H GLY A 141 -2.009 12.283 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.652 14.214 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.940 13.611 1.856 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.098 12.290 2.034 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.131 11.298 1.807 1.00 0.00 C ATOM 1885 C ASN A 142 -6.304 11.151 0.318 1.00 0.00 C ATOM 1886 O ASN A 142 -6.323 12.137 -0.389 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.480 11.661 2.492 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.974 13.121 2.336 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -7.621 13.786 1.272 1.00 0.00 O flip ATOM 1890 ND2 ASN A 142 -8.670 13.638 3.199 1.00 0.00 N flip ATOM 0 H ASN A 142 -5.200 13.107 1.432 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.821 10.355 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.250 10.998 2.097 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.389 11.445 3.557 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -8.938 13.104 4.026 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -8.983 14.603 3.092 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.403 9.958 -0.181 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.437 9.805 -1.604 1.00 0.00 C ATOM 1899 C CYS A 143 -7.802 9.813 -2.147 1.00 0.00 C ATOM 1900 O CYS A 143 -8.380 8.789 -2.465 1.00 0.00 O ATOM 1901 CB CYS A 143 -5.637 8.636 -2.107 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.467 9.132 -3.402 1.00 0.00 S ATOM 0 H CYS A 143 -6.461 9.095 0.359 1.00 0.00 H new ATOM 0 HA CYS A 143 -5.939 10.694 -1.991 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.092 8.184 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.312 7.874 -2.498 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.316 10.979 -2.210 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.620 11.234 -2.761 1.00 0.00 C ATOM 1909 C GLU A 144 -9.504 11.542 -4.266 1.00 0.00 C ATOM 1910 O GLU A 144 -10.371 12.193 -4.865 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.268 12.385 -2.003 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.391 12.165 -0.491 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.330 11.067 -0.134 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.557 11.240 -0.286 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -10.880 10.017 0.339 1.00 0.00 O ATOM 0 H GLU A 144 -7.841 11.817 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.251 10.352 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.688 13.291 -2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.263 12.559 -2.414 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.406 11.940 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.728 13.089 -0.022 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.464 11.013 -4.856 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.166 11.175 -6.269 1.00 0.00 C ATOM 1924 C VAL A 145 -8.198 9.822 -6.965 1.00 0.00 C ATOM 1925 O VAL A 145 -7.918 8.799 -6.352 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.790 11.862 -6.525 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.756 13.212 -5.872 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.622 11.006 -6.050 1.00 0.00 C ATOM 0 H VAL A 145 -7.779 10.442 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 145 -8.934 11.830 -6.680 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.679 11.983 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.790 13.682 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.549 13.836 -6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.905 13.100 -4.798 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.685 11.526 -6.249 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.716 10.825 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.629 10.054 -6.581 1.00 0.00 H new ATOM 1938 N SER A 146 -8.504 9.831 -8.238 1.00 0.00 N ATOM 1939 CA SER A 146 -8.645 8.617 -9.025 1.00 0.00 C ATOM 1940 C SER A 146 -7.315 8.028 -9.450 1.00 0.00 C ATOM 1941 O SER A 146 -7.260 6.935 -10.008 1.00 0.00 O ATOM 1942 CB SER A 146 -9.496 8.893 -10.224 1.00 0.00 C ATOM 1943 OG SER A 146 -10.735 9.458 -9.827 1.00 0.00 O ATOM 0 H SER A 146 -8.665 10.687 -8.769 1.00 0.00 H new ATOM 0 HA SER A 146 -9.123 7.873 -8.388 1.00 0.00 H new ATOM 0 HB2 SER A 146 -8.977 9.574 -10.898 1.00 0.00 H new ATOM 0 HB3 SER A 146 -9.670 7.969 -10.776 1.00 0.00 H new ATOM 0 HG SER A 146 -10.936 9.192 -8.905 1.00 0.00 H new ATOM 1949 N SER A 147 -6.256 8.729 -9.150 1.00 0.00 N ATOM 1950 CA SER A 147 -4.926 8.379 -9.580 1.00 0.00 C ATOM 1951 C SER A 147 -4.303 7.214 -8.786 1.00 0.00 C ATOM 1952 O SER A 147 -3.089 7.061 -8.762 1.00 0.00 O ATOM 1953 CB SER A 147 -4.069 9.613 -9.491 1.00 0.00 C ATOM 1954 OG SER A 147 -4.721 10.704 -10.136 1.00 0.00 O ATOM 0 H SER A 147 -6.293 9.579 -8.587 1.00 0.00 H new ATOM 0 HA SER A 147 -4.986 8.018 -10.607 1.00 0.00 H new ATOM 0 HB2 SER A 147 -3.877 9.859 -8.446 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.101 9.429 -9.958 1.00 0.00 H new ATOM 0 HG SER A 147 -4.159 11.504 -10.073 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.116 6.392 -8.172 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.589 5.262 -7.460 1.00 0.00 C ATOM 1962 C VAL A 148 -4.914 4.010 -8.221 1.00 0.00 C ATOM 1963 O VAL A 148 -6.079 3.720 -8.513 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.083 5.103 -6.021 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.132 4.183 -5.283 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.226 6.449 -5.340 1.00 0.00 C ATOM 0 H VAL A 148 -6.132 6.484 -8.152 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.516 5.441 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.077 4.656 -6.016 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.470 4.059 -4.254 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.109 3.212 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.131 4.616 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.579 6.304 -4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.259 6.952 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -5.943 7.060 -5.888 1.00 0.00 H new ATOM 1976 N GLU A 149 -3.901 3.293 -8.533 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.004 2.112 -9.347 1.00 0.00 C ATOM 1978 C GLU A 149 -3.518 0.901 -8.624 1.00 0.00 C ATOM 1979 O GLU A 149 -3.322 -0.138 -9.233 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.255 2.275 -10.654 1.00 0.00 C ATOM 1981 CG GLU A 149 -3.871 3.280 -11.615 1.00 0.00 C ATOM 1982 CD GLU A 149 -2.962 3.602 -12.780 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.876 2.794 -13.733 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -2.277 4.656 -12.750 1.00 0.00 O ATOM 0 H GLU A 149 -2.950 3.504 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.062 1.973 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.232 2.581 -10.436 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.199 1.306 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -4.814 2.885 -11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.103 4.198 -11.075 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.287 1.032 -7.353 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.825 -0.077 -6.597 1.00 0.00 C ATOM 1993 C GLY A 150 -2.650 0.257 -5.160 1.00 0.00 C ATOM 1994 O GLY A 150 -2.120 1.315 -4.818 1.00 0.00 O ATOM 0 H GLY A 150 -3.412 1.896 -6.825 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.533 -0.900 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.876 -0.423 -7.006 1.00 0.00 H new ATOM 1998 N THR A 151 -3.092 -0.615 -4.328 1.00 0.00 N ATOM 1999 CA THR A 151 -2.971 -0.446 -2.924 1.00 0.00 C ATOM 2000 C THR A 151 -2.446 -1.711 -2.312 1.00 0.00 C ATOM 2001 O THR A 151 -2.593 -2.811 -2.890 1.00 0.00 O ATOM 2002 CB THR A 151 -4.315 -0.055 -2.263 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.172 -0.019 -0.845 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.421 -1.018 -2.634 1.00 0.00 C ATOM 0 H THR A 151 -3.555 -1.480 -4.607 1.00 0.00 H new ATOM 0 HA THR A 151 -2.274 0.373 -2.746 1.00 0.00 H new ATOM 0 HB THR A 151 -4.587 0.934 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.235 -0.929 -0.487 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.348 -0.710 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.557 -1.016 -3.715 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.155 -2.022 -2.303 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.767 -1.566 -1.205 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.311 -2.685 -0.496 1.00 0.00 C ATOM 2014 C LEU A 152 -2.325 -3.013 0.540 1.00 0.00 C ATOM 2015 O LEU A 152 -2.875 -2.119 1.197 1.00 0.00 O ATOM 2016 CB LEU A 152 0.017 -2.465 0.177 1.00 0.00 C ATOM 2017 CG LEU A 152 0.521 -3.739 0.828 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.142 -4.708 -0.106 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.369 -3.489 1.953 1.00 0.00 C ATOM 0 H LEU A 152 -1.526 -0.666 -0.789 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.171 -3.496 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.745 -2.115 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.079 -1.683 0.930 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.386 -4.221 1.193 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.472 -5.587 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.412 -5.007 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.999 -4.244 -0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.699 -4.437 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.237 -2.913 1.633 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.818 -2.926 2.706 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.586 -4.241 0.685 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.555 -4.674 1.603 1.00 0.00 C ATOM 2033 C CYS A 153 -2.915 -5.398 2.729 1.00 0.00 C ATOM 2034 O CYS A 153 -1.936 -6.119 2.544 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.516 -5.568 0.897 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.097 -4.840 -0.649 1.00 0.00 S ATOM 0 H CYS A 153 -2.129 -4.990 0.164 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.083 -3.812 2.011 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.037 -6.525 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.368 -5.771 1.546 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.456 -5.193 3.869 1.00 0.00 N ATOM 2042 CA LYS A 154 -3.050 -5.816 5.069 1.00 0.00 C ATOM 2043 C LYS A 154 -4.283 -6.419 5.711 1.00 0.00 C ATOM 2044 O LYS A 154 -5.347 -5.815 5.721 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.415 -4.795 6.020 1.00 0.00 C ATOM 2046 CG LYS A 154 -2.128 -5.341 7.408 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.612 -4.273 8.341 1.00 0.00 C ATOM 2048 CE LYS A 154 -1.384 -4.837 9.728 1.00 0.00 C ATOM 2049 NZ LYS A 154 -2.651 -5.262 10.404 1.00 0.00 N ATOM 0 H LYS A 154 -4.238 -4.550 3.997 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.306 -6.584 4.859 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.484 -4.436 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -3.078 -3.935 6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -3.038 -5.775 7.822 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.395 -6.145 7.337 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.680 -3.863 7.952 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -2.326 -3.451 8.390 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.711 -5.692 9.660 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.886 -4.087 10.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.447 -5.527 11.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -3.332 -4.476 10.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -3.055 -6.078 9.902 1.00 0.00 H new ATOM 2063 N THR A 155 -4.163 -7.585 6.189 1.00 0.00 N ATOM 2064 CA THR A 155 -5.241 -8.224 6.853 1.00 0.00 C ATOM 2065 C THR A 155 -4.652 -8.927 8.056 1.00 0.00 C ATOM 2066 O THR A 155 -3.526 -9.401 7.983 1.00 0.00 O ATOM 2067 CB THR A 155 -5.945 -9.240 5.890 1.00 0.00 C ATOM 2068 OG1 THR A 155 -7.193 -9.694 6.444 1.00 0.00 O ATOM 2069 CG2 THR A 155 -5.042 -10.440 5.601 1.00 0.00 C ATOM 0 H THR A 155 -3.309 -8.140 6.136 1.00 0.00 H new ATOM 0 HA THR A 155 -6.000 -7.506 7.165 1.00 0.00 H new ATOM 0 HB THR A 155 -6.144 -8.718 4.954 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.895 -9.633 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.556 -11.129 4.930 1.00 0.00 H new ATOM 0 HG22 THR A 155 -4.120 -10.097 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.806 -10.951 6.534 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.336 -8.922 9.151 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.874 -9.631 10.311 1.00 0.00 C ATOM 2079 C ALA A 156 -5.254 -11.049 10.146 1.00 0.00 C ATOM 2080 O ALA A 156 -6.400 -11.332 9.805 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.532 -9.111 11.553 1.00 0.00 C ATOM 0 H ALA A 156 -6.223 -8.434 9.273 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.796 -9.505 10.407 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -5.165 -9.664 12.418 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -5.298 -8.053 11.673 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.612 -9.237 11.473 1.00 0.00 H new