USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 810 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 Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 14 TYR OH : rot -147:sc= 0.209 USER MOD Single : A 15 SER OG : rot 180:sc= -0.972 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot -170:sc= -0.278 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=-0.00027 USER MOD Single : A 33 ASN : amide:sc= -0.0174 K(o=-0.017,f=-1.7!) USER MOD Single : A 38 SER OG : rot 3:sc= 0.226 USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.0565 (180deg=-1.3) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.403 F(o=-1.9,f=-0.4) USER MOD Single : A 63 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.1) USER MOD Single : A 64 SER OG : rot 27:sc= -2.04! USER MOD Single : A 65 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.7) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 70 THR OG1 : rot -160:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= -0.477 USER MOD Single : A 77 SER OG : rot -51:sc= 0.138 USER MOD Single : A 78 ASN :FLIP amide:sc= -1.57! C(o=-3.5!,f=-1.6!) USER MOD Single : A 79 LYS NZ :NH3+ -128:sc= -0.0552 (180deg=-0.658) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -5.89! C(o=-5.9!,f=-7.1!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= -0.191 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -6.12! C(o=-6.1!,f=-7.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -109:sc= 0.00846 USER MOD Single : A 101 THR OG1 : rot 47:sc= 0.0209 USER MOD Single : A 102 GLN : amide:sc= -0.8! X(o=-0.8!,f=-1.1) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -11.014 -14.779 2.055 1.00 0.00 N ATOM 67 CA LEU A 8 -10.754 -13.356 1.870 1.00 0.00 C ATOM 68 C LEU A 8 -9.622 -12.886 2.777 1.00 0.00 C ATOM 69 O LEU A 8 -9.513 -13.290 3.935 1.00 0.00 O ATOM 70 CB LEU A 8 -12.020 -12.545 2.153 1.00 0.00 C ATOM 71 CG LEU A 8 -13.245 -12.897 1.309 1.00 0.00 C ATOM 72 CD1 LEU A 8 -14.510 -12.347 1.949 1.00 0.00 C ATOM 73 CD2 LEU A 8 -13.087 -12.364 -0.108 1.00 0.00 C ATOM 0 HA LEU A 8 -10.453 -13.199 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.280 -12.670 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.792 -11.490 2.004 1.00 0.00 H new ATOM 0 HG LEU A 8 -13.329 -13.983 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.372 -12.607 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.631 -12.776 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.436 -11.262 2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.968 -12.624 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.977 -11.280 -0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.203 -12.806 -0.567 1.00 0.00 H new ATOM 85 N PRO A 9 -8.759 -12.010 2.242 1.00 0.00 N ATOM 86 CA PRO A 9 -7.621 -11.464 2.988 1.00 0.00 C ATOM 87 C PRO A 9 -8.057 -10.508 4.093 1.00 0.00 C ATOM 88 O PRO A 9 -8.923 -9.659 3.885 1.00 0.00 O ATOM 89 CB PRO A 9 -6.822 -10.715 1.918 1.00 0.00 C ATOM 90 CG PRO A 9 -7.825 -10.364 0.873 1.00 0.00 C ATOM 91 CD PRO A 9 -8.827 -11.485 0.868 1.00 0.00 C ATOM 0 HA PRO A 9 -7.054 -12.245 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.349 -9.823 2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -6.026 -11.338 1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.306 -9.412 1.098 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.351 -10.260 -0.103 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.828 -11.128 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.572 -12.249 0.133 1.00 0.00 H new ATOM 99 N GLN A 10 -7.450 -10.653 5.267 1.00 0.00 N ATOM 100 CA GLN A 10 -7.777 -9.801 6.405 1.00 0.00 C ATOM 101 C GLN A 10 -6.596 -8.911 6.776 1.00 0.00 C ATOM 102 O GLN A 10 -5.438 -9.295 6.606 1.00 0.00 O ATOM 103 CB GLN A 10 -8.185 -10.655 7.607 1.00 0.00 C ATOM 104 CG GLN A 10 -8.670 -9.841 8.795 1.00 0.00 C ATOM 105 CD GLN A 10 -8.973 -10.700 10.007 1.00 0.00 C ATOM 106 OE1 GLN A 10 -9.255 -11.892 9.882 1.00 0.00 O ATOM 107 NE2 GLN A 10 -8.918 -10.097 11.189 1.00 0.00 N ATOM 0 H GLN A 10 -6.730 -11.351 5.455 1.00 0.00 H new ATOM 0 HA GLN A 10 -8.614 -9.163 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -8.974 -11.343 7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -7.334 -11.262 7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.913 -9.103 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.567 -9.290 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -8.680 -9.107 11.246 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -9.114 -10.624 12.040 1.00 0.00 H new ATOM 116 N VAL A 11 -6.896 -7.719 7.283 1.00 0.00 N ATOM 117 CA VAL A 11 -5.858 -6.774 7.679 1.00 0.00 C ATOM 118 C VAL A 11 -6.105 -6.245 9.087 1.00 0.00 C ATOM 119 O VAL A 11 -6.771 -5.227 9.270 1.00 0.00 O ATOM 120 CB VAL A 11 -5.780 -5.586 6.702 1.00 0.00 C ATOM 121 CG1 VAL A 11 -4.710 -4.599 7.146 1.00 0.00 C ATOM 122 CG2 VAL A 11 -5.511 -6.076 5.288 1.00 0.00 C ATOM 0 H VAL A 11 -7.849 -7.385 7.429 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.912 -7.315 7.658 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.740 -5.071 6.706 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.669 -3.766 6.444 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.951 -4.224 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.742 -5.099 7.172 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.459 -5.223 4.611 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.565 -6.616 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.316 -6.740 4.974 1.00 0.00 H new ATOM 132 N GLU A 12 -5.563 -6.945 10.080 1.00 0.00 N ATOM 133 CA GLU A 12 -5.726 -6.545 11.472 1.00 0.00 C ATOM 134 C GLU A 12 -5.247 -5.111 11.686 1.00 0.00 C ATOM 135 O GLU A 12 -6.030 -4.230 12.039 1.00 0.00 O ATOM 136 CB GLU A 12 -4.955 -7.494 12.392 1.00 0.00 C ATOM 137 CG GLU A 12 -5.577 -7.646 13.770 1.00 0.00 C ATOM 138 CD GLU A 12 -4.726 -8.483 14.705 1.00 0.00 C ATOM 139 OE1 GLU A 12 -3.528 -8.168 14.860 1.00 0.00 O ATOM 140 OE2 GLU A 12 -5.260 -9.454 15.282 1.00 0.00 O ATOM 0 H GLU A 12 -5.008 -7.790 9.946 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.787 -6.596 11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.895 -8.475 11.920 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.934 -7.130 12.502 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.728 -6.659 14.207 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.561 -8.105 13.672 1.00 0.00 H new ATOM 147 N ALA A 13 -3.955 -4.887 11.471 1.00 0.00 N ATOM 148 CA ALA A 13 -3.372 -3.562 11.638 1.00 0.00 C ATOM 149 C ALA A 13 -2.169 -3.371 10.719 1.00 0.00 C ATOM 150 O ALA A 13 -1.552 -4.341 10.280 1.00 0.00 O ATOM 151 CB ALA A 13 -2.970 -3.341 13.089 1.00 0.00 C ATOM 0 H ALA A 13 -3.292 -5.606 11.181 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.126 -2.824 11.365 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.536 -2.347 13.199 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.850 -3.425 13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.236 -4.092 13.382 1.00 0.00 H new ATOM 157 N TYR A 14 -1.843 -2.116 10.433 1.00 0.00 N ATOM 158 CA TYR A 14 -0.716 -1.799 9.564 1.00 0.00 C ATOM 159 C TYR A 14 0.091 -0.630 10.122 1.00 0.00 C ATOM 160 O TYR A 14 -0.469 0.387 10.530 1.00 0.00 O ATOM 161 CB TYR A 14 -1.210 -1.464 8.155 1.00 0.00 C ATOM 162 CG TYR A 14 -2.311 -0.428 8.129 1.00 0.00 C ATOM 163 CD1 TYR A 14 -3.642 -0.795 8.280 1.00 0.00 C ATOM 164 CD2 TYR A 14 -2.019 0.920 7.955 1.00 0.00 C ATOM 165 CE1 TYR A 14 -4.651 0.148 8.256 1.00 0.00 C ATOM 166 CE2 TYR A 14 -3.021 1.870 7.932 1.00 0.00 C ATOM 167 CZ TYR A 14 -4.335 1.480 8.082 1.00 0.00 C ATOM 168 OH TYR A 14 -5.337 2.423 8.059 1.00 0.00 O ATOM 0 H TYR A 14 -2.343 -1.302 10.790 1.00 0.00 H new ATOM 0 HA TYR A 14 -0.069 -2.675 9.517 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.370 -1.104 7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.570 -2.376 7.679 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.893 -1.836 8.419 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.991 1.229 7.836 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.681 -0.155 8.373 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.777 2.913 7.797 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.091 3.147 7.446 1.00 0.00 H new ATOM 178 N SER A 15 1.411 -0.785 10.137 1.00 0.00 N ATOM 179 CA SER A 15 2.297 0.255 10.648 1.00 0.00 C ATOM 180 C SER A 15 3.709 0.083 10.098 1.00 0.00 C ATOM 181 O SER A 15 4.199 -1.031 9.910 1.00 0.00 O ATOM 182 CB SER A 15 2.325 0.223 12.177 1.00 0.00 C ATOM 183 OG SER A 15 3.286 1.131 12.688 1.00 0.00 O ATOM 0 H SER A 15 1.891 -1.620 9.801 1.00 0.00 H new ATOM 0 HA SER A 15 1.913 1.221 10.319 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.339 0.474 12.567 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.555 -0.786 12.519 1.00 0.00 H new ATOM 0 HG SER A 15 3.283 1.093 13.667 1.00 0.00 H new ATOM 189 N PRO A 16 4.381 1.213 9.833 1.00 0.00 N ATOM 190 CA PRO A 16 3.808 2.545 10.052 1.00 0.00 C ATOM 191 C PRO A 16 2.689 2.863 9.066 1.00 0.00 C ATOM 192 O PRO A 16 2.738 2.460 7.904 1.00 0.00 O ATOM 193 CB PRO A 16 4.997 3.483 9.831 1.00 0.00 C ATOM 194 CG PRO A 16 5.915 2.728 8.933 1.00 0.00 C ATOM 195 CD PRO A 16 5.752 1.279 9.298 1.00 0.00 C ATOM 0 HA PRO A 16 3.353 2.636 11.038 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.681 4.422 9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.483 3.734 10.774 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.663 2.897 7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.947 3.051 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.877 0.630 8.431 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.488 0.966 10.039 1.00 0.00 H new ATOM 203 N SER A 17 1.680 3.590 9.538 1.00 0.00 N ATOM 204 CA SER A 17 0.547 3.960 8.699 1.00 0.00 C ATOM 205 C SER A 17 0.800 5.292 8.001 1.00 0.00 C ATOM 206 O SER A 17 -0.137 6.006 7.643 1.00 0.00 O ATOM 207 CB SER A 17 -0.730 4.044 9.538 1.00 0.00 C ATOM 208 OG SER A 17 -0.609 5.027 10.551 1.00 0.00 O ATOM 0 H SER A 17 1.625 3.934 10.497 1.00 0.00 H new ATOM 0 HA SER A 17 0.423 3.190 7.938 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.577 4.282 8.895 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.936 3.074 9.990 1.00 0.00 H new ATOM 0 HG SER A 17 -1.438 5.063 11.072 1.00 0.00 H new ATOM 214 N ALA A 18 2.073 5.622 7.811 1.00 0.00 N ATOM 215 CA ALA A 18 2.450 6.867 7.154 1.00 0.00 C ATOM 216 C ALA A 18 3.943 6.893 6.843 1.00 0.00 C ATOM 217 O ALA A 18 4.773 6.636 7.716 1.00 0.00 O ATOM 218 CB ALA A 18 2.069 8.058 8.022 1.00 0.00 C ATOM 0 H ALA A 18 2.861 5.044 8.103 1.00 0.00 H new ATOM 0 HA ALA A 18 1.908 6.930 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.356 8.981 7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.992 8.056 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.585 7.990 8.979 1.00 0.00 H new ATOM 224 N CYS A 19 4.277 7.205 5.596 1.00 0.00 N ATOM 225 CA CYS A 19 5.671 7.263 5.169 1.00 0.00 C ATOM 226 C CYS A 19 5.914 8.470 4.270 1.00 0.00 C ATOM 227 O CYS A 19 4.971 9.107 3.800 1.00 0.00 O ATOM 228 CB CYS A 19 6.055 5.978 4.434 1.00 0.00 C ATOM 229 SG CYS A 19 7.837 5.739 4.247 1.00 0.00 S ATOM 0 H CYS A 19 3.602 7.422 4.863 1.00 0.00 H new ATOM 0 HA CYS A 19 6.294 7.364 6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.640 5.126 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.595 5.986 3.446 1.00 0.00 H new ATOM 0 HG CYS A 19 8.059 4.745 3.439 1.00 0.00 H new ATOM 235 N SER A 20 7.185 8.780 4.035 1.00 0.00 N ATOM 236 CA SER A 20 7.553 9.914 3.196 1.00 0.00 C ATOM 237 C SER A 20 7.332 9.593 1.721 1.00 0.00 C ATOM 238 O SER A 20 7.670 8.506 1.252 1.00 0.00 O ATOM 239 CB SER A 20 9.015 10.298 3.432 1.00 0.00 C ATOM 240 OG SER A 20 9.237 10.650 4.787 1.00 0.00 O ATOM 0 H SER A 20 7.977 8.261 4.414 1.00 0.00 H new ATOM 0 HA SER A 20 6.916 10.756 3.467 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.662 9.464 3.159 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.283 11.135 2.787 1.00 0.00 H new ATOM 0 HG SER A 20 10.179 10.890 4.913 1.00 0.00 H new ATOM 246 N VAL A 21 6.761 10.548 0.993 1.00 0.00 N ATOM 247 CA VAL A 21 6.495 10.369 -0.429 1.00 0.00 C ATOM 248 C VAL A 21 7.625 9.603 -1.108 1.00 0.00 C ATOM 249 O VAL A 21 7.385 8.765 -1.977 1.00 0.00 O ATOM 250 CB VAL A 21 6.309 11.723 -1.140 1.00 0.00 C ATOM 251 CG1 VAL A 21 4.914 12.273 -0.884 1.00 0.00 C ATOM 252 CG2 VAL A 21 7.373 12.712 -0.688 1.00 0.00 C ATOM 0 H VAL A 21 6.474 11.453 1.365 1.00 0.00 H new ATOM 0 HA VAL A 21 5.572 9.795 -0.508 1.00 0.00 H new ATOM 0 HB VAL A 21 6.421 11.569 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.801 13.230 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.171 11.570 -1.262 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.769 12.413 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 21 7.227 13.663 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.295 12.864 0.389 1.00 0.00 H new ATOM 0 HG23 VAL A 21 8.361 12.319 -0.928 1.00 0.00 H new ATOM 262 N ARG A 22 8.857 9.895 -0.704 1.00 0.00 N ATOM 263 CA ARG A 22 10.025 9.234 -1.274 1.00 0.00 C ATOM 264 C ARG A 22 9.929 7.721 -1.105 1.00 0.00 C ATOM 265 O ARG A 22 10.210 6.963 -2.033 1.00 0.00 O ATOM 266 CB ARG A 22 11.303 9.751 -0.612 1.00 0.00 C ATOM 267 CG ARG A 22 11.551 11.234 -0.841 1.00 0.00 C ATOM 268 CD ARG A 22 12.025 11.506 -2.260 1.00 0.00 C ATOM 269 NE ARG A 22 13.444 11.209 -2.430 1.00 0.00 N ATOM 270 CZ ARG A 22 13.905 10.026 -2.822 1.00 0.00 C ATOM 271 NH1 ARG A 22 13.063 9.036 -3.084 1.00 0.00 N ATOM 272 NH2 ARG A 22 15.212 9.833 -2.954 1.00 0.00 N ATOM 0 H ARG A 22 9.072 10.585 0.016 1.00 0.00 H new ATOM 0 HA ARG A 22 10.057 9.462 -2.339 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.249 9.562 0.460 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.154 9.186 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.634 11.791 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.297 11.593 -0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.443 10.904 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.841 12.551 -2.509 1.00 0.00 H new ATOM 0 HE ARG A 22 14.118 11.950 -2.237 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.058 9.181 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.420 8.129 -3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 22 15.862 10.593 -2.754 1.00 0.00 H new ATOM 0 HH22 ARG A 22 15.566 8.925 -3.255 1.00 0.00 H new ATOM 286 N GLY A 23 9.529 7.287 0.087 1.00 0.00 N ATOM 287 CA GLY A 23 9.404 5.866 0.356 1.00 0.00 C ATOM 288 C GLY A 23 10.740 5.210 0.639 1.00 0.00 C ATOM 289 O GLY A 23 11.671 5.860 1.114 1.00 0.00 O ATOM 0 H GLY A 23 9.289 7.894 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.742 5.718 1.209 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.937 5.377 -0.499 1.00 0.00 H new ATOM 293 N GLY A 24 10.836 3.916 0.349 1.00 0.00 N ATOM 294 CA GLY A 24 12.071 3.192 0.584 1.00 0.00 C ATOM 295 C GLY A 24 12.222 2.756 2.028 1.00 0.00 C ATOM 296 O GLY A 24 13.328 2.749 2.568 1.00 0.00 O ATOM 0 H GLY A 24 10.080 3.356 -0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.103 2.315 -0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.916 3.822 0.308 1.00 0.00 H new ATOM 300 N GLU A 25 11.107 2.394 2.655 1.00 0.00 N ATOM 301 CA GLU A 25 11.121 1.957 4.046 1.00 0.00 C ATOM 302 C GLU A 25 10.513 0.565 4.186 1.00 0.00 C ATOM 303 O GLU A 25 9.942 0.028 3.237 1.00 0.00 O ATOM 304 CB GLU A 25 10.356 2.950 4.923 1.00 0.00 C ATOM 305 CG GLU A 25 11.162 4.184 5.292 1.00 0.00 C ATOM 306 CD GLU A 25 12.050 3.961 6.501 1.00 0.00 C ATOM 307 OE1 GLU A 25 11.520 3.959 7.632 1.00 0.00 O ATOM 308 OE2 GLU A 25 13.273 3.789 6.317 1.00 0.00 O ATOM 0 H GLU A 25 10.183 2.395 2.222 1.00 0.00 H new ATOM 0 HA GLU A 25 12.159 1.916 4.376 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.451 3.260 4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.040 2.446 5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.778 4.478 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.481 5.011 5.493 1.00 0.00 H new ATOM 315 N GLU A 26 10.641 -0.014 5.376 1.00 0.00 N ATOM 316 CA GLU A 26 10.105 -1.344 5.639 1.00 0.00 C ATOM 317 C GLU A 26 8.711 -1.258 6.253 1.00 0.00 C ATOM 318 O GLU A 26 8.550 -0.833 7.398 1.00 0.00 O ATOM 319 CB GLU A 26 11.038 -2.119 6.573 1.00 0.00 C ATOM 320 CG GLU A 26 10.478 -3.459 7.018 1.00 0.00 C ATOM 321 CD GLU A 26 11.419 -4.205 7.944 1.00 0.00 C ATOM 322 OE1 GLU A 26 12.649 -4.058 7.784 1.00 0.00 O ATOM 323 OE2 GLU A 26 10.926 -4.936 8.829 1.00 0.00 O ATOM 0 H GLU A 26 11.111 0.417 6.172 1.00 0.00 H new ATOM 0 HA GLU A 26 10.033 -1.872 4.688 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.990 -2.282 6.068 1.00 0.00 H new ATOM 0 HB3 GLU A 26 11.244 -1.511 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.526 -3.301 7.524 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.275 -4.073 6.141 1.00 0.00 H new ATOM 330 N LEU A 27 7.706 -1.662 5.484 1.00 0.00 N ATOM 331 CA LEU A 27 6.324 -1.631 5.951 1.00 0.00 C ATOM 332 C LEU A 27 5.789 -3.043 6.165 1.00 0.00 C ATOM 333 O LEU A 27 5.942 -3.912 5.307 1.00 0.00 O ATOM 334 CB LEU A 27 5.443 -0.885 4.947 1.00 0.00 C ATOM 335 CG LEU A 27 3.936 -0.949 5.200 1.00 0.00 C ATOM 336 CD1 LEU A 27 3.598 -0.362 6.562 1.00 0.00 C ATOM 337 CD2 LEU A 27 3.180 -0.219 4.100 1.00 0.00 C ATOM 0 H LEU A 27 7.822 -2.015 4.534 1.00 0.00 H new ATOM 0 HA LEU A 27 6.301 -1.106 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.745 0.162 4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.642 -1.284 3.952 1.00 0.00 H new ATOM 0 HG LEU A 27 3.629 -1.995 5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.522 -0.416 6.725 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.111 -0.928 7.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.919 0.679 6.599 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.109 -0.275 4.296 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.491 0.825 4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.398 -0.684 3.139 1.00 0.00 H new ATOM 349 N VAL A 28 5.159 -3.264 7.314 1.00 0.00 N ATOM 350 CA VAL A 28 4.597 -4.569 7.639 1.00 0.00 C ATOM 351 C VAL A 28 3.076 -4.508 7.723 1.00 0.00 C ATOM 352 O VAL A 28 2.510 -3.535 8.222 1.00 0.00 O ATOM 353 CB VAL A 28 5.153 -5.103 8.973 1.00 0.00 C ATOM 354 CG1 VAL A 28 4.536 -6.453 9.307 1.00 0.00 C ATOM 355 CG2 VAL A 28 6.670 -5.201 8.916 1.00 0.00 C ATOM 0 H VAL A 28 5.025 -2.556 8.036 1.00 0.00 H new ATOM 0 HA VAL A 28 4.886 -5.247 6.836 1.00 0.00 H new ATOM 0 HB VAL A 28 4.886 -4.403 9.764 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.941 -6.814 10.252 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.454 -6.348 9.392 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.770 -7.166 8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.046 -5.580 9.866 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.961 -5.880 8.114 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.092 -4.214 8.727 1.00 0.00 H new ATOM 365 N LEU A 29 2.420 -5.554 7.233 1.00 0.00 N ATOM 366 CA LEU A 29 0.962 -5.620 7.254 1.00 0.00 C ATOM 367 C LEU A 29 0.483 -6.824 8.059 1.00 0.00 C ATOM 368 O LEU A 29 0.752 -7.971 7.701 1.00 0.00 O ATOM 369 CB LEU A 29 0.416 -5.696 5.827 1.00 0.00 C ATOM 370 CG LEU A 29 0.737 -4.506 4.921 1.00 0.00 C ATOM 371 CD1 LEU A 29 0.782 -4.942 3.465 1.00 0.00 C ATOM 372 CD2 LEU A 29 -0.284 -3.396 5.117 1.00 0.00 C ATOM 0 H LEU A 29 2.873 -6.367 6.817 1.00 0.00 H new ATOM 0 HA LEU A 29 0.588 -4.715 7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.806 -6.600 5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.667 -5.806 5.879 1.00 0.00 H new ATOM 0 HG LEU A 29 1.719 -4.120 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.012 -4.083 2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.552 -5.702 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.186 -5.354 3.178 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.040 -2.558 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.278 -3.769 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.266 -3.065 6.155 1.00 0.00 H new ATOM 384 N THR A 30 -0.231 -6.555 9.147 1.00 0.00 N ATOM 385 CA THR A 30 -0.749 -7.615 10.002 1.00 0.00 C ATOM 386 C THR A 30 -2.131 -8.067 9.542 1.00 0.00 C ATOM 387 O THR A 30 -2.985 -7.245 9.211 1.00 0.00 O ATOM 388 CB THR A 30 -0.833 -7.161 11.472 1.00 0.00 C ATOM 389 OG1 THR A 30 0.435 -6.651 11.900 1.00 0.00 O ATOM 390 CG2 THR A 30 -1.251 -8.315 12.372 1.00 0.00 C ATOM 0 H THR A 30 -0.464 -5.612 9.457 1.00 0.00 H new ATOM 0 HA THR A 30 -0.053 -8.450 9.926 1.00 0.00 H new ATOM 0 HB THR A 30 -1.584 -6.374 11.544 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.373 -6.363 12.835 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.303 -7.970 13.405 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.229 -8.682 12.062 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.520 -9.120 12.295 1.00 0.00 H new ATOM 398 N GLY A 31 -2.344 -9.379 9.525 1.00 0.00 N ATOM 399 CA GLY A 31 -3.625 -9.917 9.105 1.00 0.00 C ATOM 400 C GLY A 31 -3.619 -11.430 9.021 1.00 0.00 C ATOM 401 O GLY A 31 -2.863 -12.095 9.730 1.00 0.00 O ATOM 0 H GLY A 31 -1.653 -10.079 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.397 -9.598 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.888 -9.503 8.131 1.00 0.00 H new ATOM 405 N SER A 32 -4.465 -11.977 8.154 1.00 0.00 N ATOM 406 CA SER A 32 -4.558 -13.422 7.984 1.00 0.00 C ATOM 407 C SER A 32 -5.095 -13.773 6.599 1.00 0.00 C ATOM 408 O SER A 32 -5.510 -12.897 5.842 1.00 0.00 O ATOM 409 CB SER A 32 -5.461 -14.026 9.061 1.00 0.00 C ATOM 410 OG SER A 32 -5.048 -15.340 9.395 1.00 0.00 O ATOM 0 H SER A 32 -5.096 -11.441 7.558 1.00 0.00 H new ATOM 0 HA SER A 32 -3.556 -13.840 8.083 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.441 -13.398 9.951 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.492 -14.044 8.707 1.00 0.00 H new ATOM 0 HG SER A 32 -5.640 -15.703 10.086 1.00 0.00 H new ATOM 416 N ASN A 33 -5.082 -15.062 6.276 1.00 0.00 N ATOM 417 CA ASN A 33 -5.567 -15.531 4.983 1.00 0.00 C ATOM 418 C ASN A 33 -4.830 -14.836 3.842 1.00 0.00 C ATOM 419 O ASN A 33 -5.447 -14.357 2.890 1.00 0.00 O ATOM 420 CB ASN A 33 -7.072 -15.283 4.858 1.00 0.00 C ATOM 421 CG ASN A 33 -7.886 -16.230 5.719 1.00 0.00 C ATOM 422 OD1 ASN A 33 -7.409 -16.726 6.739 1.00 0.00 O ATOM 423 ND2 ASN A 33 -9.123 -16.486 5.309 1.00 0.00 N ATOM 0 H ASN A 33 -4.741 -15.800 6.892 1.00 0.00 H new ATOM 0 HA ASN A 33 -5.376 -16.602 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.293 -14.255 5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.371 -15.395 3.816 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.718 -17.116 5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.478 -16.052 4.457 1.00 0.00 H new ATOM 430 N PHE A 34 -3.506 -14.785 3.944 1.00 0.00 N ATOM 431 CA PHE A 34 -2.684 -14.148 2.921 1.00 0.00 C ATOM 432 C PHE A 34 -2.109 -15.186 1.962 1.00 0.00 C ATOM 433 O PHE A 34 -2.268 -16.391 2.164 1.00 0.00 O ATOM 434 CB PHE A 34 -1.549 -13.353 3.570 1.00 0.00 C ATOM 435 CG PHE A 34 -2.016 -12.119 4.288 1.00 0.00 C ATOM 436 CD1 PHE A 34 -2.937 -11.266 3.700 1.00 0.00 C ATOM 437 CD2 PHE A 34 -1.534 -11.811 5.550 1.00 0.00 C ATOM 438 CE1 PHE A 34 -3.368 -10.130 4.358 1.00 0.00 C ATOM 439 CE2 PHE A 34 -1.962 -10.677 6.213 1.00 0.00 C ATOM 440 CZ PHE A 34 -2.880 -9.834 5.615 1.00 0.00 C ATOM 0 H PHE A 34 -2.979 -15.177 4.724 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.318 -13.466 2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.022 -13.996 4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.831 -13.067 2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.322 -11.492 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.815 -12.465 6.021 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.086 -9.474 3.889 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.580 -10.449 7.197 1.00 0.00 H new ATOM 0 HZ PHE A 34 -3.215 -8.946 6.130 1.00 0.00 H new ATOM 450 N LEU A 35 -1.441 -14.711 0.917 1.00 0.00 N ATOM 451 CA LEU A 35 -0.842 -15.597 -0.075 1.00 0.00 C ATOM 452 C LEU A 35 0.677 -15.458 -0.083 1.00 0.00 C ATOM 453 O LEU A 35 1.230 -14.405 0.235 1.00 0.00 O ATOM 454 CB LEU A 35 -1.400 -15.289 -1.466 1.00 0.00 C ATOM 455 CG LEU A 35 -2.882 -15.604 -1.679 1.00 0.00 C ATOM 456 CD1 LEU A 35 -3.483 -14.665 -2.713 1.00 0.00 C ATOM 457 CD2 LEU A 35 -3.063 -17.054 -2.103 1.00 0.00 C ATOM 0 H LEU A 35 -1.300 -13.717 0.734 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.094 -16.623 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.240 -14.231 -1.674 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.821 -15.849 -2.200 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.406 -15.455 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.537 -14.904 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.386 -13.635 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.957 -14.782 -3.660 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.123 -17.260 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.526 -17.230 -3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.669 -17.712 -1.328 1.00 0.00 H new ATOM 469 N PRO A 36 1.369 -16.544 -0.457 1.00 0.00 N ATOM 470 CA PRO A 36 2.833 -16.568 -0.518 1.00 0.00 C ATOM 471 C PRO A 36 3.380 -15.709 -1.652 1.00 0.00 C ATOM 472 O PRO A 36 4.574 -15.410 -1.698 1.00 0.00 O ATOM 473 CB PRO A 36 3.155 -18.044 -0.762 1.00 0.00 C ATOM 474 CG PRO A 36 1.938 -18.592 -1.426 1.00 0.00 C ATOM 475 CD PRO A 36 0.775 -17.833 -0.849 1.00 0.00 C ATOM 0 HA PRO A 36 3.285 -16.164 0.388 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.036 -18.158 -1.394 1.00 0.00 H new ATOM 0 HB3 PRO A 36 3.364 -18.564 0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.991 -18.462 -2.507 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.838 -19.661 -1.238 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.022 -17.702 -1.581 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.341 -18.352 0.006 1.00 0.00 H new ATOM 483 N ASP A 37 2.501 -15.313 -2.566 1.00 0.00 N ATOM 484 CA ASP A 37 2.895 -14.487 -3.700 1.00 0.00 C ATOM 485 C ASP A 37 1.913 -13.337 -3.903 1.00 0.00 C ATOM 486 O ASP A 37 1.839 -12.754 -4.985 1.00 0.00 O ATOM 487 CB ASP A 37 2.978 -15.333 -4.972 1.00 0.00 C ATOM 488 CG ASP A 37 3.810 -14.674 -6.053 1.00 0.00 C ATOM 489 OD1 ASP A 37 5.053 -14.664 -5.924 1.00 0.00 O ATOM 490 OD2 ASP A 37 3.220 -14.168 -7.030 1.00 0.00 O ATOM 0 H ASP A 37 1.510 -15.551 -2.543 1.00 0.00 H new ATOM 0 HA ASP A 37 3.879 -14.068 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.406 -16.306 -4.730 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.972 -15.513 -5.351 1.00 0.00 H new ATOM 495 N SER A 38 1.161 -13.017 -2.855 1.00 0.00 N ATOM 496 CA SER A 38 0.180 -11.940 -2.919 1.00 0.00 C ATOM 497 C SER A 38 0.791 -10.683 -3.530 1.00 0.00 C ATOM 498 O SER A 38 1.997 -10.619 -3.773 1.00 0.00 O ATOM 499 CB SER A 38 -0.360 -11.630 -1.521 1.00 0.00 C ATOM 500 OG SER A 38 -1.678 -11.111 -1.587 1.00 0.00 O ATOM 0 H SER A 38 1.212 -13.488 -1.952 1.00 0.00 H new ATOM 0 HA SER A 38 -0.642 -12.269 -3.555 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.353 -12.536 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.293 -10.911 -1.027 1.00 0.00 H new ATOM 0 HG SER A 38 -1.983 -11.109 -2.518 1.00 0.00 H new ATOM 506 N LYS A 39 -0.049 -9.684 -3.778 1.00 0.00 N ATOM 507 CA LYS A 39 0.406 -8.427 -4.360 1.00 0.00 C ATOM 508 C LYS A 39 -0.240 -7.237 -3.659 1.00 0.00 C ATOM 509 O LYS A 39 -1.332 -7.350 -3.101 1.00 0.00 O ATOM 510 CB LYS A 39 0.084 -8.388 -5.856 1.00 0.00 C ATOM 511 CG LYS A 39 0.594 -7.140 -6.555 1.00 0.00 C ATOM 512 CD LYS A 39 0.732 -7.356 -8.053 1.00 0.00 C ATOM 513 CE LYS A 39 -0.586 -7.119 -8.774 1.00 0.00 C ATOM 514 NZ LYS A 39 -1.523 -8.264 -8.607 1.00 0.00 N ATOM 0 H LYS A 39 -1.050 -9.721 -3.585 1.00 0.00 H new ATOM 0 HA LYS A 39 1.486 -8.363 -4.225 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.517 -9.266 -6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.996 -8.453 -5.989 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.090 -6.312 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.560 -6.857 -6.137 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.491 -6.683 -8.450 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.075 -8.373 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.051 -6.210 -8.391 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.396 -6.957 -9.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.102 -8.367 -9.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.980 -9.137 -8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.143 -8.089 -7.790 1.00 0.00 H new ATOM 528 N VAL A 40 0.440 -6.095 -3.692 1.00 0.00 N ATOM 529 CA VAL A 40 -0.070 -4.883 -3.061 1.00 0.00 C ATOM 530 C VAL A 40 0.094 -3.676 -3.978 1.00 0.00 C ATOM 531 O VAL A 40 1.213 -3.266 -4.288 1.00 0.00 O ATOM 532 CB VAL A 40 0.646 -4.601 -1.727 1.00 0.00 C ATOM 533 CG1 VAL A 40 0.132 -3.311 -1.107 1.00 0.00 C ATOM 534 CG2 VAL A 40 0.467 -5.770 -0.769 1.00 0.00 C ATOM 0 H VAL A 40 1.345 -5.984 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.130 -5.048 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 40 1.711 -4.482 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.650 -3.128 -0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.316 -2.481 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.939 -3.398 -0.922 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.979 -5.554 0.169 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.595 -5.923 -0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.888 -6.672 -1.213 1.00 0.00 H new ATOM 544 N VAL A 41 -1.029 -3.111 -4.410 1.00 0.00 N ATOM 545 CA VAL A 41 -1.010 -1.949 -5.290 1.00 0.00 C ATOM 546 C VAL A 41 -1.658 -0.742 -4.622 1.00 0.00 C ATOM 547 O VAL A 41 -2.582 -0.885 -3.820 1.00 0.00 O ATOM 548 CB VAL A 41 -1.737 -2.239 -6.617 1.00 0.00 C ATOM 549 CG1 VAL A 41 -1.154 -3.473 -7.287 1.00 0.00 C ATOM 550 CG2 VAL A 41 -3.231 -2.407 -6.380 1.00 0.00 C ATOM 0 H VAL A 41 -1.963 -3.439 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 41 0.037 -1.727 -5.498 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.591 -1.390 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.680 -3.662 -8.223 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.096 -3.310 -7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.267 -4.333 -6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.729 -2.611 -7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.400 -3.238 -5.695 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.636 -1.492 -5.947 1.00 0.00 H new ATOM 560 N PHE A 42 -1.169 0.447 -4.957 1.00 0.00 N ATOM 561 CA PHE A 42 -1.700 1.680 -4.388 1.00 0.00 C ATOM 562 C PHE A 42 -2.650 2.365 -5.366 1.00 0.00 C ATOM 563 O PHE A 42 -2.755 1.968 -6.527 1.00 0.00 O ATOM 564 CB PHE A 42 -0.558 2.630 -4.020 1.00 0.00 C ATOM 565 CG PHE A 42 0.106 2.291 -2.716 1.00 0.00 C ATOM 566 CD1 PHE A 42 0.625 1.026 -2.496 1.00 0.00 C ATOM 567 CD2 PHE A 42 0.211 3.239 -1.710 1.00 0.00 C ATOM 568 CE1 PHE A 42 1.236 0.712 -1.296 1.00 0.00 C ATOM 569 CE2 PHE A 42 0.821 2.930 -0.509 1.00 0.00 C ATOM 570 CZ PHE A 42 1.335 1.665 -0.302 1.00 0.00 C ATOM 0 H PHE A 42 -0.406 0.583 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.256 1.424 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.188 2.613 -4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -0.945 3.648 -3.968 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.552 0.277 -3.270 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -0.188 4.230 -1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 42 1.636 -0.279 -1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 42 0.896 3.677 0.267 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.813 1.422 0.635 1.00 0.00 H new ATOM 580 N ILE A 43 -3.341 3.394 -4.888 1.00 0.00 N ATOM 581 CA ILE A 43 -4.282 4.134 -5.719 1.00 0.00 C ATOM 582 C ILE A 43 -4.349 5.600 -5.303 1.00 0.00 C ATOM 583 O ILE A 43 -4.020 5.948 -4.170 1.00 0.00 O ATOM 584 CB ILE A 43 -5.695 3.527 -5.647 1.00 0.00 C ATOM 585 CG1 ILE A 43 -6.195 3.513 -4.201 1.00 0.00 C ATOM 586 CG2 ILE A 43 -5.698 2.121 -6.227 1.00 0.00 C ATOM 587 CD1 ILE A 43 -7.682 3.268 -4.078 1.00 0.00 C ATOM 0 H ILE A 43 -3.267 3.734 -3.929 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.918 4.066 -6.744 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.370 4.145 -6.239 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.661 2.740 -3.648 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.952 4.466 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.704 1.706 -6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.380 2.157 -7.269 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.012 1.492 -5.659 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.965 3.271 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.225 4.054 -4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.929 2.301 -4.517 1.00 0.00 H new ATOM 599 N GLU A 44 -4.778 6.453 -6.228 1.00 0.00 N ATOM 600 CA GLU A 44 -4.889 7.881 -5.955 1.00 0.00 C ATOM 601 C GLU A 44 -6.160 8.456 -6.573 1.00 0.00 C ATOM 602 O GLU A 44 -6.456 8.219 -7.745 1.00 0.00 O ATOM 603 CB GLU A 44 -3.665 8.623 -6.498 1.00 0.00 C ATOM 604 CG GLU A 44 -3.823 10.134 -6.505 1.00 0.00 C ATOM 605 CD GLU A 44 -2.847 10.818 -7.443 1.00 0.00 C ATOM 606 OE1 GLU A 44 -1.641 10.498 -7.380 1.00 0.00 O ATOM 607 OE2 GLU A 44 -3.288 11.673 -8.238 1.00 0.00 O ATOM 0 H GLU A 44 -5.054 6.180 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.938 8.015 -4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.795 8.360 -5.897 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.465 8.282 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.842 10.388 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.678 10.515 -5.494 1.00 0.00 H new ATOM 614 N ARG A 45 -6.909 9.211 -5.776 1.00 0.00 N ATOM 615 CA ARG A 45 -8.150 9.818 -6.243 1.00 0.00 C ATOM 616 C ARG A 45 -7.901 11.230 -6.767 1.00 0.00 C ATOM 617 O ARG A 45 -7.147 11.999 -6.173 1.00 0.00 O ATOM 618 CB ARG A 45 -9.180 9.857 -5.113 1.00 0.00 C ATOM 619 CG ARG A 45 -9.716 8.487 -4.730 1.00 0.00 C ATOM 620 CD ARG A 45 -10.121 8.436 -3.266 1.00 0.00 C ATOM 621 NE ARG A 45 -11.156 7.436 -3.018 1.00 0.00 N ATOM 622 CZ ARG A 45 -12.451 7.653 -3.218 1.00 0.00 C ATOM 623 NH1 ARG A 45 -12.868 8.829 -3.667 1.00 0.00 N ATOM 624 NH2 ARG A 45 -13.332 6.692 -2.970 1.00 0.00 N ATOM 0 H ARG A 45 -6.678 9.417 -4.804 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.538 9.209 -7.059 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.727 10.319 -4.236 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.013 10.493 -5.414 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -10.575 8.244 -5.355 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.956 7.730 -4.925 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.246 8.211 -2.656 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.483 9.416 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.869 6.520 -2.672 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -12.194 9.570 -3.860 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.863 8.993 -3.820 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.015 5.786 -2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -14.326 6.860 -3.124 1.00 0.00 H new ATOM 638 N GLY A 46 -8.540 11.562 -7.885 1.00 0.00 N ATOM 639 CA GLY A 46 -8.375 12.879 -8.470 1.00 0.00 C ATOM 640 C GLY A 46 -9.612 13.742 -8.317 1.00 0.00 C ATOM 641 O GLY A 46 -10.698 13.256 -7.999 1.00 0.00 O ATOM 0 H GLY A 46 -9.169 10.942 -8.396 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.528 13.378 -8.000 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.137 12.775 -9.529 1.00 0.00 H new ATOM 645 N PRO A 47 -9.455 15.054 -8.545 1.00 0.00 N ATOM 646 CA PRO A 47 -10.558 16.014 -8.435 1.00 0.00 C ATOM 647 C PRO A 47 -11.587 15.844 -9.547 1.00 0.00 C ATOM 648 O PRO A 47 -12.618 16.516 -9.559 1.00 0.00 O ATOM 649 CB PRO A 47 -9.860 17.371 -8.554 1.00 0.00 C ATOM 650 CG PRO A 47 -8.614 17.090 -9.321 1.00 0.00 C ATOM 651 CD PRO A 47 -8.189 15.702 -8.927 1.00 0.00 C ATOM 0 HA PRO A 47 -11.118 15.888 -7.508 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.489 18.096 -9.072 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.635 17.788 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.794 17.153 -10.394 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.838 17.818 -9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.704 15.181 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.480 15.718 -8.099 1.00 0.00 H new ATOM 659 N ASP A 48 -11.300 14.943 -10.479 1.00 0.00 N ATOM 660 CA ASP A 48 -12.202 14.684 -11.596 1.00 0.00 C ATOM 661 C ASP A 48 -13.387 13.833 -11.150 1.00 0.00 C ATOM 662 O ASP A 48 -14.529 14.097 -11.524 1.00 0.00 O ATOM 663 CB ASP A 48 -11.454 13.984 -12.732 1.00 0.00 C ATOM 664 CG ASP A 48 -10.636 14.949 -13.567 1.00 0.00 C ATOM 665 OD1 ASP A 48 -9.488 15.248 -13.175 1.00 0.00 O ATOM 666 OD2 ASP A 48 -11.142 15.405 -14.613 1.00 0.00 O ATOM 0 H ASP A 48 -10.450 14.379 -10.484 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.579 15.641 -11.956 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.796 13.222 -12.315 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -12.171 13.471 -13.373 1.00 0.00 H new ATOM 671 N GLY A 49 -13.107 12.808 -10.350 1.00 0.00 N ATOM 672 CA GLY A 49 -14.159 11.934 -9.868 1.00 0.00 C ATOM 673 C GLY A 49 -13.755 10.473 -9.891 1.00 0.00 C ATOM 674 O GLY A 49 -14.326 9.651 -9.174 1.00 0.00 O ATOM 0 H GLY A 49 -12.170 12.568 -10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.425 12.218 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.050 12.071 -10.481 1.00 0.00 H new ATOM 678 N LYS A 50 -12.768 10.147 -10.719 1.00 0.00 N ATOM 679 CA LYS A 50 -12.287 8.775 -10.834 1.00 0.00 C ATOM 680 C LYS A 50 -10.816 8.680 -10.443 1.00 0.00 C ATOM 681 O LYS A 50 -10.033 9.594 -10.705 1.00 0.00 O ATOM 682 CB LYS A 50 -12.481 8.263 -12.263 1.00 0.00 C ATOM 683 CG LYS A 50 -11.879 9.171 -13.321 1.00 0.00 C ATOM 684 CD LYS A 50 -11.955 8.544 -14.703 1.00 0.00 C ATOM 685 CE LYS A 50 -11.280 9.417 -15.749 1.00 0.00 C ATOM 686 NZ LYS A 50 -10.982 8.659 -16.996 1.00 0.00 N ATOM 0 H LYS A 50 -12.285 10.815 -11.321 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.867 8.154 -10.151 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.034 7.273 -12.349 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.547 8.149 -12.458 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.405 10.126 -13.324 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -10.839 9.381 -13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -11.480 7.563 -14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.999 8.388 -14.976 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.923 10.265 -15.984 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.354 9.823 -15.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.522 9.289 -17.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.348 7.865 -16.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.868 8.293 -17.400 1.00 0.00 H new ATOM 700 N LEU A 51 -10.445 7.569 -9.817 1.00 0.00 N ATOM 701 CA LEU A 51 -9.066 7.353 -9.392 1.00 0.00 C ATOM 702 C LEU A 51 -8.302 6.527 -10.421 1.00 0.00 C ATOM 703 O LEU A 51 -8.838 5.576 -10.989 1.00 0.00 O ATOM 704 CB LEU A 51 -9.035 6.652 -8.033 1.00 0.00 C ATOM 705 CG LEU A 51 -9.962 5.446 -7.878 1.00 0.00 C ATOM 706 CD1 LEU A 51 -9.552 4.331 -8.827 1.00 0.00 C ATOM 707 CD2 LEU A 51 -9.959 4.952 -6.438 1.00 0.00 C ATOM 0 H LEU A 51 -11.080 6.803 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.582 8.326 -9.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.013 6.327 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.290 7.382 -7.264 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.975 5.757 -8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -10.223 3.481 -8.702 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.608 4.689 -9.855 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.531 4.022 -8.605 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.624 4.093 -6.347 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.948 4.659 -6.156 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -10.303 5.749 -5.779 1.00 0.00 H new ATOM 719 N GLN A 52 -7.046 6.896 -10.654 1.00 0.00 N ATOM 720 CA GLN A 52 -6.208 6.187 -11.613 1.00 0.00 C ATOM 721 C GLN A 52 -4.733 6.313 -11.245 1.00 0.00 C ATOM 722 O GLN A 52 -4.124 7.365 -11.436 1.00 0.00 O ATOM 723 CB GLN A 52 -6.441 6.730 -13.025 1.00 0.00 C ATOM 724 CG GLN A 52 -6.777 8.212 -13.059 1.00 0.00 C ATOM 725 CD GLN A 52 -6.514 8.839 -14.414 1.00 0.00 C ATOM 726 OE1 GLN A 52 -6.752 8.221 -15.453 1.00 0.00 O ATOM 727 NE2 GLN A 52 -6.022 10.072 -14.411 1.00 0.00 N ATOM 0 H GLN A 52 -6.587 7.681 -10.192 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.482 5.132 -11.586 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.548 6.555 -13.625 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.253 6.171 -13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.826 8.349 -12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.189 8.731 -12.302 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.840 10.546 -13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.826 10.545 -15.293 1.00 0.00 H new ATOM 736 N TRP A 53 -4.167 5.234 -10.717 1.00 0.00 N ATOM 737 CA TRP A 53 -2.763 5.224 -10.322 1.00 0.00 C ATOM 738 C TRP A 53 -2.183 3.817 -10.406 1.00 0.00 C ATOM 739 O TRP A 53 -2.584 2.926 -9.659 1.00 0.00 O ATOM 740 CB TRP A 53 -2.608 5.768 -8.901 1.00 0.00 C ATOM 741 CG TRP A 53 -1.200 6.154 -8.562 1.00 0.00 C ATOM 742 CD1 TRP A 53 -0.242 6.602 -9.426 1.00 0.00 C ATOM 743 CD2 TRP A 53 -0.591 6.122 -7.267 1.00 0.00 C ATOM 744 NE1 TRP A 53 0.925 6.851 -8.746 1.00 0.00 N ATOM 745 CE2 TRP A 53 0.738 6.565 -7.420 1.00 0.00 C ATOM 746 CE3 TRP A 53 -1.038 5.764 -5.992 1.00 0.00 C ATOM 747 CZ2 TRP A 53 1.619 6.658 -6.347 1.00 0.00 C ATOM 748 CZ3 TRP A 53 -0.162 5.856 -4.928 1.00 0.00 C ATOM 749 CH2 TRP A 53 1.155 6.301 -5.110 1.00 0.00 C ATOM 0 H TRP A 53 -4.658 4.355 -10.552 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.213 5.865 -11.012 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -3.254 6.637 -8.780 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.951 5.015 -8.192 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -0.382 6.740 -10.488 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.791 7.194 -9.162 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.051 5.421 -5.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.634 7.000 -6.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.497 5.580 -3.939 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.816 6.363 -4.258 1.00 0.00 H new ATOM 760 N GLU A 54 -1.238 3.624 -11.321 1.00 0.00 N ATOM 761 CA GLU A 54 -0.605 2.324 -11.503 1.00 0.00 C ATOM 762 C GLU A 54 0.815 2.327 -10.943 1.00 0.00 C ATOM 763 O GLU A 54 1.749 2.791 -11.597 1.00 0.00 O ATOM 764 CB GLU A 54 -0.580 1.945 -12.985 1.00 0.00 C ATOM 765 CG GLU A 54 -0.051 0.546 -13.247 1.00 0.00 C ATOM 766 CD GLU A 54 -0.277 0.095 -14.678 1.00 0.00 C ATOM 767 OE1 GLU A 54 0.328 0.695 -15.591 1.00 0.00 O ATOM 768 OE2 GLU A 54 -1.059 -0.857 -14.884 1.00 0.00 O ATOM 0 H GLU A 54 -0.894 4.352 -11.948 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.191 1.585 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.590 2.024 -13.388 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.036 2.664 -13.525 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.016 0.518 -13.025 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.536 -0.155 -12.568 1.00 0.00 H new ATOM 775 N GLU A 55 0.968 1.807 -9.729 1.00 0.00 N ATOM 776 CA GLU A 55 2.273 1.752 -9.082 1.00 0.00 C ATOM 777 C GLU A 55 2.472 0.416 -8.372 1.00 0.00 C ATOM 778 O GLU A 55 1.529 -0.153 -7.823 1.00 0.00 O ATOM 779 CB GLU A 55 2.420 2.901 -8.081 1.00 0.00 C ATOM 780 CG GLU A 55 2.740 4.236 -8.731 1.00 0.00 C ATOM 781 CD GLU A 55 4.080 4.234 -9.441 1.00 0.00 C ATOM 782 OE1 GLU A 55 5.117 4.143 -8.752 1.00 0.00 O ATOM 783 OE2 GLU A 55 4.091 4.322 -10.687 1.00 0.00 O ATOM 0 H GLU A 55 0.205 1.418 -9.175 1.00 0.00 H new ATOM 0 HA GLU A 55 3.037 1.852 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.496 2.996 -7.511 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.209 2.654 -7.370 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.955 4.485 -9.445 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.738 5.016 -7.970 1.00 0.00 H new ATOM 790 N GLU A 56 3.707 -0.078 -8.388 1.00 0.00 N ATOM 791 CA GLU A 56 4.029 -1.347 -7.747 1.00 0.00 C ATOM 792 C GLU A 56 4.956 -1.135 -6.554 1.00 0.00 C ATOM 793 O GLU A 56 5.794 -0.234 -6.559 1.00 0.00 O ATOM 794 CB GLU A 56 4.682 -2.300 -8.751 1.00 0.00 C ATOM 795 CG GLU A 56 4.692 -3.750 -8.297 1.00 0.00 C ATOM 796 CD GLU A 56 4.948 -4.716 -9.436 1.00 0.00 C ATOM 797 OE1 GLU A 56 4.035 -4.913 -10.265 1.00 0.00 O ATOM 798 OE2 GLU A 56 6.063 -5.276 -9.500 1.00 0.00 O ATOM 0 H GLU A 56 4.499 0.381 -8.837 1.00 0.00 H new ATOM 0 HA GLU A 56 3.099 -1.789 -7.388 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.154 -2.230 -9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.708 -1.977 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.459 -3.883 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.735 -3.988 -7.832 1.00 0.00 H new ATOM 805 N ALA A 57 4.798 -1.970 -5.533 1.00 0.00 N ATOM 806 CA ALA A 57 5.621 -1.875 -4.333 1.00 0.00 C ATOM 807 C ALA A 57 6.410 -3.160 -4.106 1.00 0.00 C ATOM 808 O ALA A 57 5.865 -4.261 -4.194 1.00 0.00 O ATOM 809 CB ALA A 57 4.754 -1.565 -3.122 1.00 0.00 C ATOM 0 H ALA A 57 4.107 -2.720 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 57 6.333 -1.062 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.381 -1.497 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.239 -0.617 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.019 -2.359 -2.988 1.00 0.00 H new ATOM 815 N THR A 58 7.699 -3.014 -3.814 1.00 0.00 N ATOM 816 CA THR A 58 8.564 -4.162 -3.576 1.00 0.00 C ATOM 817 C THR A 58 8.090 -4.967 -2.370 1.00 0.00 C ATOM 818 O THR A 58 8.214 -4.524 -1.228 1.00 0.00 O ATOM 819 CB THR A 58 10.024 -3.728 -3.347 1.00 0.00 C ATOM 820 OG1 THR A 58 10.505 -3.008 -4.488 1.00 0.00 O ATOM 821 CG2 THR A 58 10.914 -4.935 -3.091 1.00 0.00 C ATOM 0 H THR A 58 8.167 -2.111 -3.737 1.00 0.00 H new ATOM 0 HA THR A 58 8.514 -4.786 -4.469 1.00 0.00 H new ATOM 0 HB THR A 58 10.055 -3.082 -2.470 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.433 -2.734 -4.334 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.940 -4.603 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 58 10.563 -5.465 -2.206 1.00 0.00 H new ATOM 0 HG23 THR A 58 10.878 -5.603 -3.952 1.00 0.00 H new ATOM 829 N VAL A 59 7.548 -6.152 -2.632 1.00 0.00 N ATOM 830 CA VAL A 59 7.057 -7.020 -1.568 1.00 0.00 C ATOM 831 C VAL A 59 8.089 -8.083 -1.206 1.00 0.00 C ATOM 832 O VAL A 59 8.484 -8.890 -2.046 1.00 0.00 O ATOM 833 CB VAL A 59 5.742 -7.712 -1.970 1.00 0.00 C ATOM 834 CG1 VAL A 59 5.271 -8.647 -0.866 1.00 0.00 C ATOM 835 CG2 VAL A 59 4.674 -6.679 -2.296 1.00 0.00 C ATOM 0 H VAL A 59 7.438 -6.533 -3.572 1.00 0.00 H new ATOM 0 HA VAL A 59 6.874 -6.385 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 59 5.924 -8.307 -2.865 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.340 -9.127 -1.168 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.030 -9.408 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.105 -8.076 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.751 -7.186 -2.578 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.492 -6.055 -1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.012 -6.055 -3.123 1.00 0.00 H new ATOM 845 N ASN A 60 8.521 -8.076 0.051 1.00 0.00 N ATOM 846 CA ASN A 60 9.507 -9.040 0.525 1.00 0.00 C ATOM 847 C ASN A 60 8.845 -10.371 0.870 1.00 0.00 C ATOM 848 O ASN A 60 8.376 -10.570 1.991 1.00 0.00 O ATOM 849 CB ASN A 60 10.241 -8.490 1.749 1.00 0.00 C ATOM 850 CG ASN A 60 11.661 -9.012 1.855 1.00 0.00 C ATOM 851 OD1 ASN A 60 11.908 -9.860 2.846 1.00 0.00 O flip ATOM 852 ND2 ASN A 60 12.526 -8.656 1.054 1.00 0.00 N flip ATOM 0 H ASN A 60 8.204 -7.414 0.759 1.00 0.00 H new ATOM 0 HA ASN A 60 10.227 -9.210 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.260 -7.401 1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.690 -8.758 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.291 -8.002 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.477 -9.015 1.137 1.00 0.00 H new ATOM 859 N ARG A 61 8.811 -11.278 -0.100 1.00 0.00 N ATOM 860 CA ARG A 61 8.207 -12.590 0.101 1.00 0.00 C ATOM 861 C ARG A 61 8.873 -13.324 1.261 1.00 0.00 C ATOM 862 O ARG A 61 8.210 -14.018 2.033 1.00 0.00 O ATOM 863 CB ARG A 61 8.315 -13.426 -1.175 1.00 0.00 C ATOM 864 CG ARG A 61 7.289 -13.057 -2.234 1.00 0.00 C ATOM 865 CD ARG A 61 7.678 -11.783 -2.967 1.00 0.00 C ATOM 866 NE ARG A 61 7.170 -11.762 -4.336 1.00 0.00 N ATOM 867 CZ ARG A 61 5.929 -11.408 -4.654 1.00 0.00 C ATOM 868 NH1 ARG A 61 5.076 -11.047 -3.706 1.00 0.00 N ATOM 869 NH2 ARG A 61 5.541 -11.414 -5.923 1.00 0.00 N ATOM 0 H ARG A 61 9.195 -11.129 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 61 7.154 -12.444 0.343 1.00 0.00 H new ATOM 0 HB2 ARG A 61 9.315 -13.308 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.199 -14.479 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.192 -13.874 -2.949 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.313 -12.925 -1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.292 -10.920 -2.424 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.764 -11.691 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 61 7.802 -12.034 -5.089 1.00 0.00 H new ATOM 0 HH11 ARG A 61 5.371 -11.040 -2.730 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.124 -10.776 -3.953 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.195 -11.690 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.588 -11.142 -6.166 1.00 0.00 H new ATOM 883 N LEU A 62 10.187 -13.166 1.378 1.00 0.00 N ATOM 884 CA LEU A 62 10.944 -13.814 2.443 1.00 0.00 C ATOM 885 C LEU A 62 10.258 -13.622 3.792 1.00 0.00 C ATOM 886 O LEU A 62 9.986 -14.589 4.503 1.00 0.00 O ATOM 887 CB LEU A 62 12.367 -13.255 2.497 1.00 0.00 C ATOM 888 CG LEU A 62 13.264 -13.587 1.304 1.00 0.00 C ATOM 889 CD1 LEU A 62 14.487 -12.683 1.289 1.00 0.00 C ATOM 890 CD2 LEU A 62 13.680 -15.050 1.340 1.00 0.00 C ATOM 0 H LEU A 62 10.750 -12.595 0.748 1.00 0.00 H new ATOM 0 HA LEU A 62 10.988 -14.881 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.307 -12.171 2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.848 -13.626 3.402 1.00 0.00 H new ATOM 0 HG LEU A 62 12.698 -13.414 0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.114 -12.933 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.170 -11.643 1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.055 -12.824 2.209 1.00 0.00 H new ATOM 0 HD21 LEU A 62 14.318 -15.268 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 62 14.228 -15.250 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.793 -15.682 1.302 1.00 0.00 H new ATOM 902 N GLN A 63 9.980 -12.369 4.136 1.00 0.00 N ATOM 903 CA GLN A 63 9.324 -12.051 5.399 1.00 0.00 C ATOM 904 C GLN A 63 7.831 -12.355 5.329 1.00 0.00 C ATOM 905 O GLN A 63 7.266 -12.952 6.245 1.00 0.00 O ATOM 906 CB GLN A 63 9.541 -10.579 5.754 1.00 0.00 C ATOM 907 CG GLN A 63 10.937 -10.278 6.273 1.00 0.00 C ATOM 908 CD GLN A 63 11.034 -8.916 6.933 1.00 0.00 C ATOM 909 OE1 GLN A 63 11.063 -7.887 6.257 1.00 0.00 O ATOM 910 NE2 GLN A 63 11.083 -8.903 8.260 1.00 0.00 N ATOM 0 H GLN A 63 10.199 -11.557 3.558 1.00 0.00 H new ATOM 0 HA GLN A 63 9.767 -12.674 6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 63 9.351 -9.969 4.871 1.00 0.00 H new ATOM 0 HB3 GLN A 63 8.811 -10.284 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.227 -11.046 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 63 11.646 -10.328 5.447 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.056 -9.780 8.780 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.147 -8.016 8.759 1.00 0.00 H new ATOM 919 N SER A 64 7.198 -11.941 4.236 1.00 0.00 N ATOM 920 CA SER A 64 5.770 -12.165 4.048 1.00 0.00 C ATOM 921 C SER A 64 5.392 -13.597 4.415 1.00 0.00 C ATOM 922 O SER A 64 5.955 -14.554 3.886 1.00 0.00 O ATOM 923 CB SER A 64 5.373 -11.877 2.599 1.00 0.00 C ATOM 924 OG SER A 64 3.995 -12.134 2.387 1.00 0.00 O ATOM 0 H SER A 64 7.652 -11.448 3.467 1.00 0.00 H new ATOM 0 HA SER A 64 5.231 -11.484 4.707 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.593 -10.837 2.358 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.969 -12.493 1.926 1.00 0.00 H new ATOM 0 HG SER A 64 3.507 -12.018 3.229 1.00 0.00 H new ATOM 930 N ASN A 65 4.435 -13.735 5.327 1.00 0.00 N ATOM 931 CA ASN A 65 3.981 -15.049 5.767 1.00 0.00 C ATOM 932 C ASN A 65 2.462 -15.158 5.678 1.00 0.00 C ATOM 933 O ASN A 65 1.779 -14.188 5.351 1.00 0.00 O ATOM 934 CB ASN A 65 4.440 -15.316 7.201 1.00 0.00 C ATOM 935 CG ASN A 65 4.321 -16.779 7.583 1.00 0.00 C ATOM 936 OD1 ASN A 65 4.802 -17.659 6.869 1.00 0.00 O ATOM 937 ND2 ASN A 65 3.679 -17.045 8.715 1.00 0.00 N ATOM 0 H ASN A 65 3.959 -12.953 5.776 1.00 0.00 H new ATOM 0 HA ASN A 65 4.420 -15.797 5.107 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.476 -14.997 7.313 1.00 0.00 H new ATOM 0 HB3 ASN A 65 3.845 -14.714 7.888 1.00 0.00 H new ATOM 0 HD21 ASN A 65 3.569 -18.011 9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 65 3.296 -16.283 9.275 1.00 0.00 H new ATOM 944 N GLU A 66 1.940 -16.345 5.972 1.00 0.00 N ATOM 945 CA GLU A 66 0.502 -16.580 5.925 1.00 0.00 C ATOM 946 C GLU A 66 -0.253 -15.482 6.668 1.00 0.00 C ATOM 947 O GLU A 66 -1.347 -15.084 6.267 1.00 0.00 O ATOM 948 CB GLU A 66 0.166 -17.944 6.530 1.00 0.00 C ATOM 949 CG GLU A 66 -1.196 -18.475 6.115 1.00 0.00 C ATOM 950 CD GLU A 66 -1.515 -19.818 6.744 1.00 0.00 C ATOM 951 OE1 GLU A 66 -0.975 -20.107 7.832 1.00 0.00 O ATOM 952 OE2 GLU A 66 -2.306 -20.579 6.147 1.00 0.00 O ATOM 0 H GLU A 66 2.492 -17.158 6.245 1.00 0.00 H new ATOM 0 HA GLU A 66 0.192 -16.568 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.932 -18.661 6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.202 -17.869 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.964 -17.755 6.397 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.230 -18.569 5.030 1.00 0.00 H new ATOM 959 N VAL A 67 0.339 -14.996 7.754 1.00 0.00 N ATOM 960 CA VAL A 67 -0.277 -13.943 8.554 1.00 0.00 C ATOM 961 C VAL A 67 0.616 -12.709 8.619 1.00 0.00 C ATOM 962 O VAL A 67 0.612 -11.977 9.609 1.00 0.00 O ATOM 963 CB VAL A 67 -0.570 -14.426 9.987 1.00 0.00 C ATOM 964 CG1 VAL A 67 -1.554 -15.586 9.969 1.00 0.00 C ATOM 965 CG2 VAL A 67 0.719 -14.821 10.690 1.00 0.00 C ATOM 0 H VAL A 67 1.244 -15.314 8.100 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.217 -13.683 8.066 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.023 -13.605 10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.749 -15.914 10.990 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.487 -15.264 9.507 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.132 -16.412 9.397 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.493 -15.160 11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.203 -15.626 10.137 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.387 -13.961 10.736 1.00 0.00 H new ATOM 975 N THR A 68 1.381 -12.483 7.555 1.00 0.00 N ATOM 976 CA THR A 68 2.280 -11.337 7.490 1.00 0.00 C ATOM 977 C THR A 68 2.566 -10.944 6.046 1.00 0.00 C ATOM 978 O THR A 68 2.710 -11.803 5.175 1.00 0.00 O ATOM 979 CB THR A 68 3.613 -11.628 8.205 1.00 0.00 C ATOM 980 OG1 THR A 68 3.373 -11.953 9.579 1.00 0.00 O ATOM 981 CG2 THR A 68 4.547 -10.430 8.118 1.00 0.00 C ATOM 0 H THR A 68 1.396 -13.078 6.727 1.00 0.00 H new ATOM 0 HA THR A 68 1.778 -10.512 7.995 1.00 0.00 H new ATOM 0 HB THR A 68 4.087 -12.475 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.226 -12.138 10.025 1.00 0.00 H new ATOM 0 HG21 THR A 68 5.482 -10.659 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.752 -10.204 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.077 -9.567 8.590 1.00 0.00 H new ATOM 989 N LEU A 69 2.648 -9.641 5.797 1.00 0.00 N ATOM 990 CA LEU A 69 2.918 -9.134 4.457 1.00 0.00 C ATOM 991 C LEU A 69 3.825 -7.908 4.511 1.00 0.00 C ATOM 992 O LEU A 69 3.389 -6.814 4.870 1.00 0.00 O ATOM 993 CB LEU A 69 1.608 -8.782 3.750 1.00 0.00 C ATOM 994 CG LEU A 69 0.945 -9.913 2.964 1.00 0.00 C ATOM 995 CD1 LEU A 69 -0.481 -9.538 2.589 1.00 0.00 C ATOM 996 CD2 LEU A 69 1.755 -10.244 1.719 1.00 0.00 C ATOM 0 H LEU A 69 2.531 -8.917 6.506 1.00 0.00 H new ATOM 0 HA LEU A 69 3.428 -9.916 3.895 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.900 -8.422 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.798 -7.954 3.067 1.00 0.00 H new ATOM 0 HG LEU A 69 0.912 -10.799 3.598 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.937 -10.355 2.030 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.058 -9.351 3.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.471 -8.639 1.973 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.268 -11.051 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.820 -9.362 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.758 -10.556 2.010 1.00 0.00 H new ATOM 1008 N THR A 70 5.090 -8.099 4.150 1.00 0.00 N ATOM 1009 CA THR A 70 6.059 -7.010 4.156 1.00 0.00 C ATOM 1010 C THR A 70 6.213 -6.403 2.766 1.00 0.00 C ATOM 1011 O THR A 70 6.314 -7.122 1.771 1.00 0.00 O ATOM 1012 CB THR A 70 7.437 -7.486 4.651 1.00 0.00 C ATOM 1013 OG1 THR A 70 7.307 -8.119 5.930 1.00 0.00 O ATOM 1014 CG2 THR A 70 8.409 -6.320 4.754 1.00 0.00 C ATOM 0 H THR A 70 5.467 -8.998 3.850 1.00 0.00 H new ATOM 0 HA THR A 70 5.678 -6.252 4.840 1.00 0.00 H new ATOM 0 HB THR A 70 7.829 -8.202 3.929 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.178 -8.133 6.378 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.375 -6.682 5.106 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.529 -5.859 3.774 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.020 -5.583 5.457 1.00 0.00 H new ATOM 1022 N LEU A 71 6.231 -5.076 2.704 1.00 0.00 N ATOM 1023 CA LEU A 71 6.374 -4.372 1.434 1.00 0.00 C ATOM 1024 C LEU A 71 7.185 -3.092 1.610 1.00 0.00 C ATOM 1025 O LEU A 71 7.492 -2.687 2.732 1.00 0.00 O ATOM 1026 CB LEU A 71 4.998 -4.041 0.854 1.00 0.00 C ATOM 1027 CG LEU A 71 4.224 -2.925 1.557 1.00 0.00 C ATOM 1028 CD1 LEU A 71 3.015 -2.512 0.731 1.00 0.00 C ATOM 1029 CD2 LEU A 71 3.796 -3.367 2.948 1.00 0.00 C ATOM 0 H LEU A 71 6.148 -4.466 3.517 1.00 0.00 H new ATOM 0 HA LEU A 71 6.905 -5.026 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.124 -3.765 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.390 -4.946 0.874 1.00 0.00 H new ATOM 0 HG LEU A 71 4.881 -2.061 1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.476 -1.717 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.346 -2.153 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.356 -3.370 0.597 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.247 -2.560 3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.156 -4.246 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.678 -3.612 3.539 1.00 0.00 H new ATOM 1041 N THR A 72 7.529 -2.457 0.494 1.00 0.00 N ATOM 1042 CA THR A 72 8.304 -1.223 0.524 1.00 0.00 C ATOM 1043 C THR A 72 7.488 -0.049 -0.004 1.00 0.00 C ATOM 1044 O THR A 72 7.166 0.013 -1.191 1.00 0.00 O ATOM 1045 CB THR A 72 9.596 -1.350 -0.306 1.00 0.00 C ATOM 1046 OG1 THR A 72 10.390 -2.435 0.186 1.00 0.00 O ATOM 1047 CG2 THR A 72 10.401 -0.061 -0.254 1.00 0.00 C ATOM 0 H THR A 72 7.283 -2.777 -0.443 1.00 0.00 H new ATOM 0 HA THR A 72 8.567 -1.040 1.566 1.00 0.00 H new ATOM 0 HB THR A 72 9.319 -1.545 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.208 -2.510 -0.348 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.308 -0.175 -0.847 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.804 0.757 -0.657 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.668 0.160 0.779 1.00 0.00 H new ATOM 1055 N VAL A 73 7.156 0.882 0.884 1.00 0.00 N ATOM 1056 CA VAL A 73 6.378 2.057 0.507 1.00 0.00 C ATOM 1057 C VAL A 73 6.798 2.577 -0.863 1.00 0.00 C ATOM 1058 O VAL A 73 7.965 2.886 -1.107 1.00 0.00 O ATOM 1059 CB VAL A 73 6.531 3.187 1.542 1.00 0.00 C ATOM 1060 CG1 VAL A 73 5.806 4.440 1.075 1.00 0.00 C ATOM 1061 CG2 VAL A 73 6.015 2.738 2.901 1.00 0.00 C ATOM 0 H VAL A 73 7.414 0.846 1.870 1.00 0.00 H new ATOM 0 HA VAL A 73 5.334 1.747 0.470 1.00 0.00 H new ATOM 0 HB VAL A 73 7.590 3.424 1.641 1.00 0.00 H new ATOM 0 HG11 VAL A 73 5.925 5.228 1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.226 4.771 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.746 4.220 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.131 3.549 3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.961 2.472 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.583 1.871 3.237 1.00 0.00 H new ATOM 1071 N PRO A 74 5.826 2.677 -1.781 1.00 0.00 N ATOM 1072 CA PRO A 74 6.070 3.161 -3.143 1.00 0.00 C ATOM 1073 C PRO A 74 6.393 4.651 -3.180 1.00 0.00 C ATOM 1074 O PRO A 74 6.581 5.280 -2.139 1.00 0.00 O ATOM 1075 CB PRO A 74 4.746 2.884 -3.861 1.00 0.00 C ATOM 1076 CG PRO A 74 3.723 2.876 -2.779 1.00 0.00 C ATOM 1077 CD PRO A 74 4.412 2.327 -1.560 1.00 0.00 C ATOM 0 HA PRO A 74 6.930 2.672 -3.601 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.530 3.652 -4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 74 4.773 1.930 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.344 3.881 -2.593 1.00 0.00 H new ATOM 0 HG3 PRO A 74 2.868 2.259 -3.055 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.026 2.774 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.274 1.249 -1.471 1.00 0.00 H new ATOM 1085 N GLU A 75 6.455 5.209 -4.385 1.00 0.00 N ATOM 1086 CA GLU A 75 6.756 6.626 -4.555 1.00 0.00 C ATOM 1087 C GLU A 75 5.575 7.362 -5.181 1.00 0.00 C ATOM 1088 O GLU A 75 5.181 7.076 -6.313 1.00 0.00 O ATOM 1089 CB GLU A 75 8.001 6.804 -5.426 1.00 0.00 C ATOM 1090 CG GLU A 75 9.306 6.651 -4.661 1.00 0.00 C ATOM 1091 CD GLU A 75 10.442 6.162 -5.538 1.00 0.00 C ATOM 1092 OE1 GLU A 75 11.013 6.985 -6.284 1.00 0.00 O ATOM 1093 OE2 GLU A 75 10.760 4.955 -5.478 1.00 0.00 O ATOM 0 H GLU A 75 6.301 4.702 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 75 6.946 7.052 -3.570 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.976 6.074 -6.235 1.00 0.00 H new ATOM 0 HB3 GLU A 75 7.973 7.791 -5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.579 7.610 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.160 5.952 -3.838 1.00 0.00 H new ATOM 1100 N TYR A 76 5.014 8.309 -4.438 1.00 0.00 N ATOM 1101 CA TYR A 76 3.876 9.084 -4.918 1.00 0.00 C ATOM 1102 C TYR A 76 4.211 9.788 -6.229 1.00 0.00 C ATOM 1103 O TYR A 76 5.380 9.955 -6.576 1.00 0.00 O ATOM 1104 CB TYR A 76 3.453 10.112 -3.867 1.00 0.00 C ATOM 1105 CG TYR A 76 2.106 10.740 -4.143 1.00 0.00 C ATOM 1106 CD1 TYR A 76 1.017 9.961 -4.517 1.00 0.00 C ATOM 1107 CD2 TYR A 76 1.921 12.112 -4.031 1.00 0.00 C ATOM 1108 CE1 TYR A 76 -0.215 10.530 -4.771 1.00 0.00 C ATOM 1109 CE2 TYR A 76 0.691 12.690 -4.281 1.00 0.00 C ATOM 1110 CZ TYR A 76 -0.374 11.895 -4.651 1.00 0.00 C ATOM 1111 OH TYR A 76 -1.600 12.467 -4.902 1.00 0.00 O ATOM 0 H TYR A 76 5.329 8.559 -3.500 1.00 0.00 H new ATOM 0 HA TYR A 76 3.049 8.396 -5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.427 9.630 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.207 10.897 -3.815 1.00 0.00 H new ATOM 0 HD1 TYR A 76 1.137 8.892 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 76 2.753 12.738 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -1.050 9.910 -5.062 1.00 0.00 H new ATOM 0 HE2 TYR A 76 0.564 13.758 -4.187 1.00 0.00 H new ATOM 0 HH TYR A 76 -1.542 13.436 -4.771 1.00 0.00 H new ATOM 1121 N SER A 77 3.175 10.199 -6.953 1.00 0.00 N ATOM 1122 CA SER A 77 3.357 10.883 -8.228 1.00 0.00 C ATOM 1123 C SER A 77 3.434 12.393 -8.029 1.00 0.00 C ATOM 1124 O SER A 77 2.987 13.166 -8.875 1.00 0.00 O ATOM 1125 CB SER A 77 2.211 10.541 -9.183 1.00 0.00 C ATOM 1126 OG SER A 77 2.552 10.853 -10.522 1.00 0.00 O ATOM 0 H SER A 77 2.201 10.070 -6.679 1.00 0.00 H new ATOM 0 HA SER A 77 4.297 10.543 -8.663 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.971 9.481 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.316 11.093 -8.894 1.00 0.00 H new ATOM 0 HG SER A 77 2.885 11.774 -10.569 1.00 0.00 H new ATOM 1132 N ASN A 78 4.005 12.807 -6.902 1.00 0.00 N ATOM 1133 CA ASN A 78 4.140 14.225 -6.589 1.00 0.00 C ATOM 1134 C ASN A 78 5.017 14.429 -5.357 1.00 0.00 C ATOM 1135 O ASN A 78 4.750 13.871 -4.292 1.00 0.00 O ATOM 1136 CB ASN A 78 2.764 14.852 -6.359 1.00 0.00 C ATOM 1137 CG ASN A 78 2.724 16.318 -6.745 1.00 0.00 C ATOM 1138 OD1 ASN A 78 3.185 17.179 -5.845 1.00 0.00 O flip ATOM 1139 ND2 ASN A 78 2.285 16.671 -7.839 1.00 0.00 N flip ATOM 0 H ASN A 78 4.382 12.180 -6.191 1.00 0.00 H new ATOM 0 HA ASN A 78 4.617 14.715 -7.438 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.018 14.307 -6.937 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.492 14.748 -5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.941 15.974 -8.500 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.265 17.661 -8.085 1.00 0.00 H new ATOM 1146 N LYS A 79 6.064 15.232 -5.509 1.00 0.00 N ATOM 1147 CA LYS A 79 6.980 15.513 -4.410 1.00 0.00 C ATOM 1148 C LYS A 79 7.194 17.014 -4.249 1.00 0.00 C ATOM 1149 O LYS A 79 8.263 17.457 -3.830 1.00 0.00 O ATOM 1150 CB LYS A 79 8.322 14.818 -4.647 1.00 0.00 C ATOM 1151 CG LYS A 79 8.199 13.323 -4.884 1.00 0.00 C ATOM 1152 CD LYS A 79 9.456 12.585 -4.453 1.00 0.00 C ATOM 1153 CE LYS A 79 9.458 11.148 -4.953 1.00 0.00 C ATOM 1154 NZ LYS A 79 8.312 10.369 -4.407 1.00 0.00 N ATOM 0 H LYS A 79 6.300 15.700 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 79 6.535 15.128 -3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.811 15.275 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.967 14.989 -3.785 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.342 12.936 -4.333 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.010 13.136 -5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.334 13.106 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.529 12.593 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.415 11.142 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.393 10.666 -4.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.663 9.490 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.820 10.935 -3.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.651 10.138 -5.176 1.00 0.00 H new ATOM 1168 N ARG A 80 6.170 17.793 -4.585 1.00 0.00 N ATOM 1169 CA ARG A 80 6.247 19.245 -4.478 1.00 0.00 C ATOM 1170 C ARG A 80 5.325 19.758 -3.376 1.00 0.00 C ATOM 1171 O ARG A 80 5.634 20.739 -2.700 1.00 0.00 O ATOM 1172 CB ARG A 80 5.877 19.896 -5.812 1.00 0.00 C ATOM 1173 CG ARG A 80 6.918 19.689 -6.900 1.00 0.00 C ATOM 1174 CD ARG A 80 6.702 20.642 -8.065 1.00 0.00 C ATOM 1175 NE ARG A 80 7.846 20.664 -8.973 1.00 0.00 N ATOM 1176 CZ ARG A 80 8.125 21.683 -9.778 1.00 0.00 C ATOM 1177 NH1 ARG A 80 7.347 22.756 -9.789 1.00 0.00 N ATOM 1178 NH2 ARG A 80 9.184 21.629 -10.575 1.00 0.00 N ATOM 0 H ARG A 80 5.278 17.443 -4.933 1.00 0.00 H new ATOM 0 HA ARG A 80 7.273 19.512 -4.223 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.923 19.492 -6.152 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.733 20.965 -5.657 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.915 19.840 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.873 18.660 -7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.808 20.346 -8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 80 6.523 21.647 -7.683 1.00 0.00 H new ATOM 0 HE ARG A 80 8.464 19.853 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 80 6.531 22.801 -9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 80 7.564 23.537 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 80 9.785 20.805 -10.570 1.00 0.00 H new ATOM 0 HH22 ARG A 80 9.398 22.412 -11.193 1.00 0.00 H new ATOM 1192 N VAL A 81 4.190 19.088 -3.200 1.00 0.00 N ATOM 1193 CA VAL A 81 3.223 19.475 -2.181 1.00 0.00 C ATOM 1194 C VAL A 81 3.883 19.585 -0.811 1.00 0.00 C ATOM 1195 O VAL A 81 4.638 18.704 -0.402 1.00 0.00 O ATOM 1196 CB VAL A 81 2.060 18.469 -2.099 1.00 0.00 C ATOM 1197 CG1 VAL A 81 1.379 18.329 -3.452 1.00 0.00 C ATOM 1198 CG2 VAL A 81 2.556 17.121 -1.600 1.00 0.00 C ATOM 0 H VAL A 81 3.918 18.274 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 81 2.830 20.449 -2.472 1.00 0.00 H new ATOM 0 HB VAL A 81 1.326 18.846 -1.387 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.560 17.614 -3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.988 19.297 -3.764 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.101 17.975 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.721 16.422 -1.548 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.310 16.735 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.993 17.238 -0.608 1.00 0.00 H new ATOM 1208 N SER A 82 3.592 20.673 -0.105 1.00 0.00 N ATOM 1209 CA SER A 82 4.159 20.900 1.219 1.00 0.00 C ATOM 1210 C SER A 82 3.344 20.183 2.290 1.00 0.00 C ATOM 1211 O SER A 82 3.780 20.052 3.434 1.00 0.00 O ATOM 1212 CB SER A 82 4.215 22.399 1.523 1.00 0.00 C ATOM 1213 OG SER A 82 5.204 22.685 2.497 1.00 0.00 O ATOM 0 H SER A 82 2.967 21.411 -0.428 1.00 0.00 H new ATOM 0 HA SER A 82 5.171 20.496 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.431 22.951 0.608 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.242 22.738 1.878 1.00 0.00 H new ATOM 0 HG SER A 82 5.221 23.649 2.673 1.00 0.00 H new ATOM 1219 N ARG A 83 2.158 19.719 1.910 1.00 0.00 N ATOM 1220 CA ARG A 83 1.280 19.015 2.838 1.00 0.00 C ATOM 1221 C ARG A 83 1.218 17.527 2.505 1.00 0.00 C ATOM 1222 O ARG A 83 1.422 17.113 1.364 1.00 0.00 O ATOM 1223 CB ARG A 83 -0.126 19.617 2.798 1.00 0.00 C ATOM 1224 CG ARG A 83 -1.011 19.025 1.713 1.00 0.00 C ATOM 1225 CD ARG A 83 -2.418 19.601 1.767 1.00 0.00 C ATOM 1226 NE ARG A 83 -3.331 18.898 0.870 1.00 0.00 N ATOM 1227 CZ ARG A 83 -4.525 19.365 0.523 1.00 0.00 C ATOM 1228 NH1 ARG A 83 -4.948 20.530 0.995 1.00 0.00 N ATOM 1229 NH2 ARG A 83 -5.299 18.668 -0.299 1.00 0.00 N ATOM 0 H ARG A 83 1.783 19.818 0.967 1.00 0.00 H new ATOM 0 HA ARG A 83 1.688 19.128 3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.604 19.468 3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.047 20.693 2.644 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.572 19.224 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.055 17.942 1.828 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.795 19.542 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.388 20.657 1.499 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.036 17.999 0.489 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.356 21.070 1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.865 20.886 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.977 17.772 -0.665 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.216 19.028 -0.564 1.00 0.00 H new ATOM 1243 N PRO A 84 0.931 16.704 3.524 1.00 0.00 N ATOM 1244 CA PRO A 84 0.835 15.250 3.364 1.00 0.00 C ATOM 1245 C PRO A 84 -0.389 14.835 2.555 1.00 0.00 C ATOM 1246 O PRO A 84 -1.509 15.255 2.845 1.00 0.00 O ATOM 1247 CB PRO A 84 0.722 14.742 4.804 1.00 0.00 C ATOM 1248 CG PRO A 84 0.144 15.885 5.565 1.00 0.00 C ATOM 1249 CD PRO A 84 0.676 17.130 4.911 1.00 0.00 C ATOM 0 HA PRO A 84 1.687 14.843 2.819 1.00 0.00 H new ATOM 0 HB2 PRO A 84 0.081 13.862 4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 84 1.696 14.455 5.200 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -0.945 15.863 5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 84 0.434 15.841 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -0.045 17.946 4.955 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.586 17.482 5.397 1.00 0.00 H new ATOM 1257 N VAL A 85 -0.168 14.007 1.539 1.00 0.00 N ATOM 1258 CA VAL A 85 -1.253 13.533 0.689 1.00 0.00 C ATOM 1259 C VAL A 85 -1.868 12.254 1.244 1.00 0.00 C ATOM 1260 O VAL A 85 -1.165 11.399 1.782 1.00 0.00 O ATOM 1261 CB VAL A 85 -0.768 13.274 -0.750 1.00 0.00 C ATOM 1262 CG1 VAL A 85 -1.928 12.848 -1.637 1.00 0.00 C ATOM 1263 CG2 VAL A 85 -0.083 14.511 -1.311 1.00 0.00 C ATOM 0 H VAL A 85 0.753 13.651 1.285 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.008 14.319 0.674 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.042 12.462 -0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.566 12.670 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.370 11.933 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.681 13.636 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.254 14.311 -2.328 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.786 15.344 -1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.775 14.766 -0.689 1.00 0.00 H new ATOM 1273 N GLN A 86 -3.185 12.130 1.110 1.00 0.00 N ATOM 1274 CA GLN A 86 -3.894 10.953 1.599 1.00 0.00 C ATOM 1275 C GLN A 86 -4.213 9.995 0.456 1.00 0.00 C ATOM 1276 O GLN A 86 -5.095 10.259 -0.361 1.00 0.00 O ATOM 1277 CB GLN A 86 -5.186 11.368 2.307 1.00 0.00 C ATOM 1278 CG GLN A 86 -6.119 10.205 2.601 1.00 0.00 C ATOM 1279 CD GLN A 86 -5.605 9.311 3.712 1.00 0.00 C ATOM 1280 OE1 GLN A 86 -4.993 9.782 4.671 1.00 0.00 O ATOM 1281 NE2 GLN A 86 -5.851 8.012 3.588 1.00 0.00 N ATOM 0 H GLN A 86 -3.782 12.829 0.668 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.246 10.439 2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -4.934 11.866 3.243 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.711 12.097 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -7.100 10.592 2.876 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.252 9.613 1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -6.362 7.665 2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -5.529 7.361 4.304 1.00 0.00 H new ATOM 1290 N VAL A 87 -3.488 8.882 0.404 1.00 0.00 N ATOM 1291 CA VAL A 87 -3.694 7.884 -0.639 1.00 0.00 C ATOM 1292 C VAL A 87 -4.291 6.604 -0.064 1.00 0.00 C ATOM 1293 O VAL A 87 -4.432 6.463 1.151 1.00 0.00 O ATOM 1294 CB VAL A 87 -2.375 7.544 -1.358 1.00 0.00 C ATOM 1295 CG1 VAL A 87 -1.737 8.802 -1.927 1.00 0.00 C ATOM 1296 CG2 VAL A 87 -1.420 6.834 -0.410 1.00 0.00 C ATOM 0 H VAL A 87 -2.753 8.649 1.072 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.390 8.316 -1.358 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.596 6.871 -2.187 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -0.806 8.542 -2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.419 9.265 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.528 9.502 -1.118 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.493 6.601 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.203 7.481 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.878 5.911 -0.056 1.00 0.00 H new ATOM 1306 N TYR A 88 -4.642 5.674 -0.946 1.00 0.00 N ATOM 1307 CA TYR A 88 -5.226 4.406 -0.527 1.00 0.00 C ATOM 1308 C TYR A 88 -4.585 3.238 -1.270 1.00 0.00 C ATOM 1309 O TYR A 88 -4.005 3.413 -2.342 1.00 0.00 O ATOM 1310 CB TYR A 88 -6.737 4.412 -0.770 1.00 0.00 C ATOM 1311 CG TYR A 88 -7.478 5.443 0.050 1.00 0.00 C ATOM 1312 CD1 TYR A 88 -7.641 5.282 1.421 1.00 0.00 C ATOM 1313 CD2 TYR A 88 -8.016 6.577 -0.545 1.00 0.00 C ATOM 1314 CE1 TYR A 88 -8.319 6.221 2.175 1.00 0.00 C ATOM 1315 CE2 TYR A 88 -8.694 7.522 0.201 1.00 0.00 C ATOM 1316 CZ TYR A 88 -8.842 7.340 1.560 1.00 0.00 C ATOM 1317 OH TYR A 88 -9.518 8.278 2.307 1.00 0.00 O ATOM 0 H TYR A 88 -4.532 5.775 -1.955 1.00 0.00 H new ATOM 0 HA TYR A 88 -5.036 4.282 0.539 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -6.926 4.597 -1.827 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -7.137 3.424 -0.543 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -7.231 4.408 1.905 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -7.902 6.723 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -8.439 6.080 3.239 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -9.106 8.398 -0.278 1.00 0.00 H new ATOM 0 HH TYR A 88 -9.821 9.004 1.723 1.00 0.00 H new ATOM 1327 N PHE A 89 -4.693 2.047 -0.692 1.00 0.00 N ATOM 1328 CA PHE A 89 -4.124 0.848 -1.298 1.00 0.00 C ATOM 1329 C PHE A 89 -4.856 -0.402 -0.822 1.00 0.00 C ATOM 1330 O PHE A 89 -5.622 -0.358 0.142 1.00 0.00 O ATOM 1331 CB PHE A 89 -2.635 0.740 -0.963 1.00 0.00 C ATOM 1332 CG PHE A 89 -2.362 0.547 0.501 1.00 0.00 C ATOM 1333 CD1 PHE A 89 -2.395 -0.719 1.064 1.00 0.00 C ATOM 1334 CD2 PHE A 89 -2.073 1.630 1.315 1.00 0.00 C ATOM 1335 CE1 PHE A 89 -2.145 -0.900 2.411 1.00 0.00 C ATOM 1336 CE2 PHE A 89 -1.822 1.456 2.663 1.00 0.00 C ATOM 1337 CZ PHE A 89 -1.857 0.189 3.211 1.00 0.00 C ATOM 0 H PHE A 89 -5.169 1.886 0.195 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.242 0.926 -2.379 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.206 -0.095 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.128 1.643 -1.303 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.619 -1.574 0.443 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.043 2.623 0.891 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -2.175 -1.892 2.838 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.599 2.309 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.660 0.050 4.264 1.00 0.00 H new ATOM 1347 N TYR A 90 -4.616 -1.517 -1.503 1.00 0.00 N ATOM 1348 CA TYR A 90 -5.254 -2.780 -1.152 1.00 0.00 C ATOM 1349 C TYR A 90 -4.352 -3.961 -1.499 1.00 0.00 C ATOM 1350 O TYR A 90 -3.284 -3.790 -2.087 1.00 0.00 O ATOM 1351 CB TYR A 90 -6.594 -2.917 -1.877 1.00 0.00 C ATOM 1352 CG TYR A 90 -6.470 -2.921 -3.384 1.00 0.00 C ATOM 1353 CD1 TYR A 90 -6.188 -4.094 -4.074 1.00 0.00 C ATOM 1354 CD2 TYR A 90 -6.632 -1.753 -4.118 1.00 0.00 C ATOM 1355 CE1 TYR A 90 -6.073 -4.103 -5.451 1.00 0.00 C ATOM 1356 CE2 TYR A 90 -6.520 -1.752 -5.495 1.00 0.00 C ATOM 1357 CZ TYR A 90 -6.240 -2.929 -6.157 1.00 0.00 C ATOM 1358 OH TYR A 90 -6.126 -2.933 -7.528 1.00 0.00 O ATOM 0 H TYR A 90 -3.984 -1.572 -2.302 1.00 0.00 H new ATOM 0 HA TYR A 90 -5.428 -2.783 -0.076 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -7.077 -3.841 -1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -7.246 -2.096 -1.577 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -6.056 -5.014 -3.524 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -6.849 -0.829 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.854 -5.023 -5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -6.651 -0.835 -6.050 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.273 -2.027 -7.871 1.00 0.00 H new ATOM 1368 N VAL A 91 -4.791 -5.160 -1.131 1.00 0.00 N ATOM 1369 CA VAL A 91 -4.026 -6.371 -1.404 1.00 0.00 C ATOM 1370 C VAL A 91 -4.788 -7.304 -2.339 1.00 0.00 C ATOM 1371 O VAL A 91 -5.927 -7.681 -2.063 1.00 0.00 O ATOM 1372 CB VAL A 91 -3.690 -7.127 -0.105 1.00 0.00 C ATOM 1373 CG1 VAL A 91 -2.921 -8.403 -0.413 1.00 0.00 C ATOM 1374 CG2 VAL A 91 -2.901 -6.235 0.842 1.00 0.00 C ATOM 0 H VAL A 91 -5.672 -5.319 -0.643 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.099 -6.058 -1.884 1.00 0.00 H new ATOM 0 HB VAL A 91 -4.623 -7.403 0.386 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.692 -8.924 0.517 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.526 -9.048 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.993 -8.153 -0.927 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.672 -6.785 1.755 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.972 -5.926 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.492 -5.353 1.089 1.00 0.00 H new ATOM 1384 N SER A 92 -4.151 -7.672 -3.446 1.00 0.00 N ATOM 1385 CA SER A 92 -4.770 -8.558 -4.425 1.00 0.00 C ATOM 1386 C SER A 92 -4.641 -10.017 -3.995 1.00 0.00 C ATOM 1387 O SER A 92 -3.536 -10.541 -3.863 1.00 0.00 O ATOM 1388 CB SER A 92 -4.129 -8.362 -5.799 1.00 0.00 C ATOM 1389 OG SER A 92 -4.549 -9.366 -6.707 1.00 0.00 O ATOM 0 H SER A 92 -3.207 -7.370 -3.687 1.00 0.00 H new ATOM 0 HA SER A 92 -5.829 -8.307 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.394 -7.380 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.043 -8.385 -5.704 1.00 0.00 H new ATOM 0 HG SER A 92 -4.126 -9.217 -7.578 1.00 0.00 H new ATOM 1395 N ASN A 93 -5.781 -10.666 -3.777 1.00 0.00 N ATOM 1396 CA ASN A 93 -5.797 -12.063 -3.361 1.00 0.00 C ATOM 1397 C ASN A 93 -6.612 -12.911 -4.334 1.00 0.00 C ATOM 1398 O ASN A 93 -7.841 -12.916 -4.290 1.00 0.00 O ATOM 1399 CB ASN A 93 -6.373 -12.191 -1.950 1.00 0.00 C ATOM 1400 CG ASN A 93 -5.718 -13.305 -1.156 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -5.845 -14.481 -1.496 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -5.014 -12.938 -0.092 1.00 0.00 N ATOM 0 H ASN A 93 -6.705 -10.246 -3.882 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.770 -12.427 -3.361 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.243 -11.247 -1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -7.445 -12.376 -2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.551 -13.643 0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.936 -11.951 0.152 1.00 0.00 H new ATOM 1409 N GLY A 94 -5.917 -13.628 -5.212 1.00 0.00 N ATOM 1410 CA GLY A 94 -6.592 -14.469 -6.182 1.00 0.00 C ATOM 1411 C GLY A 94 -7.002 -13.706 -7.426 1.00 0.00 C ATOM 1412 O GLY A 94 -6.168 -13.082 -8.083 1.00 0.00 O ATOM 0 H GLY A 94 -4.899 -13.641 -5.268 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.935 -15.292 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.476 -14.910 -5.722 1.00 0.00 H new ATOM 1416 N ARG A 95 -8.289 -13.757 -7.751 1.00 0.00 N ATOM 1417 CA ARG A 95 -8.808 -13.067 -8.927 1.00 0.00 C ATOM 1418 C ARG A 95 -9.882 -12.057 -8.534 1.00 0.00 C ATOM 1419 O ARG A 95 -9.741 -10.859 -8.779 1.00 0.00 O ATOM 1420 CB ARG A 95 -9.381 -14.075 -9.925 1.00 0.00 C ATOM 1421 CG ARG A 95 -8.330 -14.977 -10.550 1.00 0.00 C ATOM 1422 CD ARG A 95 -8.864 -15.680 -11.788 1.00 0.00 C ATOM 1423 NE ARG A 95 -8.701 -14.868 -12.992 1.00 0.00 N ATOM 1424 CZ ARG A 95 -7.529 -14.651 -13.578 1.00 0.00 C ATOM 1425 NH1 ARG A 95 -6.423 -15.183 -13.075 1.00 0.00 N ATOM 1426 NH2 ARG A 95 -7.461 -13.901 -14.671 1.00 0.00 N ATOM 0 H ARG A 95 -8.992 -14.268 -7.217 1.00 0.00 H new ATOM 0 HA ARG A 95 -7.983 -12.531 -9.396 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -10.123 -14.692 -9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -9.901 -13.535 -10.716 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.453 -14.386 -10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -8.005 -15.719 -9.820 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.345 -16.629 -11.918 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.920 -15.911 -11.647 1.00 0.00 H new ATOM 0 HE ARG A 95 -9.532 -14.445 -13.405 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.471 -15.761 -12.236 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.525 -15.014 -13.527 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.309 -13.491 -15.062 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -6.560 -13.735 -15.120 1.00 0.00 H new ATOM 1440 N ARG A 96 -10.955 -12.549 -7.924 1.00 0.00 N ATOM 1441 CA ARG A 96 -12.054 -11.690 -7.499 1.00 0.00 C ATOM 1442 C ARG A 96 -11.887 -11.274 -6.041 1.00 0.00 C ATOM 1443 O ARG A 96 -12.116 -10.118 -5.683 1.00 0.00 O ATOM 1444 CB ARG A 96 -13.392 -12.408 -7.686 1.00 0.00 C ATOM 1445 CG ARG A 96 -13.524 -13.676 -6.857 1.00 0.00 C ATOM 1446 CD ARG A 96 -14.924 -14.260 -6.952 1.00 0.00 C ATOM 1447 NE ARG A 96 -15.824 -13.692 -5.952 1.00 0.00 N ATOM 1448 CZ ARG A 96 -17.148 -13.761 -6.030 1.00 0.00 C ATOM 1449 NH1 ARG A 96 -17.724 -14.373 -7.056 1.00 0.00 N ATOM 1450 NH2 ARG A 96 -17.899 -13.219 -5.080 1.00 0.00 N ATOM 0 H ARG A 96 -11.087 -13.538 -7.713 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.041 -10.793 -8.118 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -14.201 -11.726 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -13.516 -12.658 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.797 -14.413 -7.199 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.290 -13.457 -5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -15.327 -14.076 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -14.875 -15.341 -6.823 1.00 0.00 H new ATOM 0 HE ARG A 96 -15.413 -13.216 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -17.150 -14.792 -7.788 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -18.741 -14.425 -7.113 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -17.460 -12.749 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -18.916 -13.273 -5.141 1.00 0.00 H new ATOM 1464 N LYS A 97 -11.487 -12.224 -5.202 1.00 0.00 N ATOM 1465 CA LYS A 97 -11.287 -11.958 -3.783 1.00 0.00 C ATOM 1466 C LYS A 97 -10.311 -10.804 -3.577 1.00 0.00 C ATOM 1467 O LYS A 97 -9.181 -10.841 -4.065 1.00 0.00 O ATOM 1468 CB LYS A 97 -10.768 -13.212 -3.076 1.00 0.00 C ATOM 1469 CG LYS A 97 -11.713 -14.398 -3.168 1.00 0.00 C ATOM 1470 CD LYS A 97 -10.970 -15.715 -3.023 1.00 0.00 C ATOM 1471 CE LYS A 97 -11.907 -16.903 -3.174 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.169 -18.197 -3.165 1.00 0.00 N ATOM 0 H LYS A 97 -11.295 -13.186 -5.481 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.249 -11.678 -3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.806 -13.490 -3.507 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -10.591 -12.980 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -12.473 -14.320 -2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -12.234 -14.376 -4.125 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -10.182 -15.774 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -10.485 -15.755 -2.048 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.636 -16.895 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -12.465 -16.809 -4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.843 -18.982 -3.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.491 -18.215 -3.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.657 -18.299 -2.265 1.00 0.00 H new ATOM 1486 N ARG A 98 -10.753 -9.782 -2.853 1.00 0.00 N ATOM 1487 CA ARG A 98 -9.918 -8.618 -2.583 1.00 0.00 C ATOM 1488 C ARG A 98 -10.233 -8.029 -1.211 1.00 0.00 C ATOM 1489 O ARG A 98 -11.286 -8.302 -0.634 1.00 0.00 O ATOM 1490 CB ARG A 98 -10.121 -7.556 -3.665 1.00 0.00 C ATOM 1491 CG ARG A 98 -9.310 -7.809 -4.926 1.00 0.00 C ATOM 1492 CD ARG A 98 -9.821 -6.979 -6.093 1.00 0.00 C ATOM 1493 NE ARG A 98 -11.129 -7.433 -6.557 1.00 0.00 N ATOM 1494 CZ ARG A 98 -11.625 -7.145 -7.755 1.00 0.00 C ATOM 1495 NH1 ARG A 98 -10.925 -6.406 -8.605 1.00 0.00 N ATOM 1496 NH2 ARG A 98 -12.823 -7.596 -8.105 1.00 0.00 N ATOM 0 H ARG A 98 -11.686 -9.736 -2.442 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.877 -8.940 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.178 -7.513 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -9.852 -6.580 -3.260 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.263 -7.571 -4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.356 -8.867 -5.183 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -9.886 -5.933 -5.793 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -9.107 -7.031 -6.915 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.693 -8.003 -5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.004 -6.058 -8.339 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.308 -6.186 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -13.364 -8.165 -7.454 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.203 -7.374 -9.025 1.00 0.00 H new ATOM 1510 N SER A 99 -9.314 -7.219 -0.695 1.00 0.00 N ATOM 1511 CA SER A 99 -9.492 -6.594 0.611 1.00 0.00 C ATOM 1512 C SER A 99 -9.830 -5.114 0.463 1.00 0.00 C ATOM 1513 O SER A 99 -9.614 -4.503 -0.584 1.00 0.00 O ATOM 1514 CB SER A 99 -8.227 -6.759 1.455 1.00 0.00 C ATOM 1515 OG SER A 99 -7.075 -6.857 0.634 1.00 0.00 O ATOM 0 H SER A 99 -8.439 -6.980 -1.161 1.00 0.00 H new ATOM 0 HA SER A 99 -10.322 -7.089 1.114 1.00 0.00 H new ATOM 0 HB2 SER A 99 -8.124 -5.911 2.131 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.313 -7.652 2.074 1.00 0.00 H new ATOM 0 HG SER A 99 -6.730 -7.774 0.662 1.00 0.00 H new ATOM 1521 N PRO A 100 -10.373 -4.522 1.537 1.00 0.00 N ATOM 1522 CA PRO A 100 -10.752 -3.106 1.553 1.00 0.00 C ATOM 1523 C PRO A 100 -9.540 -2.181 1.534 1.00 0.00 C ATOM 1524 O PRO A 100 -8.456 -2.551 1.987 1.00 0.00 O ATOM 1525 CB PRO A 100 -11.517 -2.958 2.870 1.00 0.00 C ATOM 1526 CG PRO A 100 -10.988 -4.047 3.739 1.00 0.00 C ATOM 1527 CD PRO A 100 -10.658 -5.189 2.818 1.00 0.00 C ATOM 0 HA PRO A 100 -11.334 -2.830 0.673 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.350 -1.978 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.591 -3.060 2.717 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.103 -3.717 4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.727 -4.346 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.799 -5.758 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.490 -5.888 2.731 1.00 0.00 H new ATOM 1535 N THR A 101 -9.730 -0.975 1.008 1.00 0.00 N ATOM 1536 CA THR A 101 -8.652 0.003 0.929 1.00 0.00 C ATOM 1537 C THR A 101 -8.298 0.543 2.311 1.00 0.00 C ATOM 1538 O THR A 101 -9.175 0.951 3.071 1.00 0.00 O ATOM 1539 CB THR A 101 -9.028 1.182 0.012 1.00 0.00 C ATOM 1540 OG1 THR A 101 -10.339 1.657 0.337 1.00 0.00 O ATOM 1541 CG2 THR A 101 -8.984 0.764 -1.451 1.00 0.00 C ATOM 0 H THR A 101 -10.621 -0.652 0.630 1.00 0.00 H new ATOM 0 HA THR A 101 -7.788 -0.513 0.510 1.00 0.00 H new ATOM 0 HB THR A 101 -8.303 1.981 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 101 -10.416 1.766 1.308 1.00 0.00 H new ATOM 0 HG21 THR A 101 -9.253 1.612 -2.080 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.978 0.430 -1.704 1.00 0.00 H new ATOM 0 HG23 THR A 101 -9.690 -0.050 -1.618 1.00 0.00 H new ATOM 1549 N GLN A 102 -7.007 0.542 2.628 1.00 0.00 N ATOM 1550 CA GLN A 102 -6.538 1.032 3.918 1.00 0.00 C ATOM 1551 C GLN A 102 -6.182 2.513 3.842 1.00 0.00 C ATOM 1552 O GLN A 102 -5.519 2.954 2.903 1.00 0.00 O ATOM 1553 CB GLN A 102 -5.323 0.226 4.382 1.00 0.00 C ATOM 1554 CG GLN A 102 -5.685 -1.014 5.183 1.00 0.00 C ATOM 1555 CD GLN A 102 -6.174 -2.151 4.308 1.00 0.00 C ATOM 1556 OE1 GLN A 102 -5.383 -2.834 3.657 1.00 0.00 O ATOM 1557 NE2 GLN A 102 -7.486 -2.361 4.287 1.00 0.00 N ATOM 0 H GLN A 102 -6.268 0.208 2.009 1.00 0.00 H new ATOM 0 HA GLN A 102 -7.345 0.908 4.640 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.741 -0.072 3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -4.683 0.866 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.813 -1.344 5.748 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.458 -0.761 5.909 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.106 -1.771 4.842 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -7.873 -3.112 3.716 1.00 0.00 H new ATOM 1566 N SER A 103 -6.627 3.276 4.835 1.00 0.00 N ATOM 1567 CA SER A 103 -6.359 4.708 4.878 1.00 0.00 C ATOM 1568 C SER A 103 -4.869 4.977 5.070 1.00 0.00 C ATOM 1569 O SER A 103 -4.288 4.614 6.093 1.00 0.00 O ATOM 1570 CB SER A 103 -7.156 5.365 6.007 1.00 0.00 C ATOM 1571 OG SER A 103 -8.529 5.466 5.669 1.00 0.00 O ATOM 0 H SER A 103 -7.175 2.926 5.621 1.00 0.00 H new ATOM 0 HA SER A 103 -6.669 5.138 3.926 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.045 4.783 6.922 1.00 0.00 H new ATOM 0 HB3 SER A 103 -6.754 6.358 6.210 1.00 0.00 H new ATOM 0 HG SER A 103 -9.017 5.888 6.407 1.00 0.00 H new ATOM 1577 N PHE A 104 -4.256 5.615 4.078 1.00 0.00 N ATOM 1578 CA PHE A 104 -2.834 5.932 4.136 1.00 0.00 C ATOM 1579 C PHE A 104 -2.589 7.396 3.785 1.00 0.00 C ATOM 1580 O PHE A 104 -3.424 8.043 3.153 1.00 0.00 O ATOM 1581 CB PHE A 104 -2.050 5.029 3.182 1.00 0.00 C ATOM 1582 CG PHE A 104 -0.641 4.762 3.632 1.00 0.00 C ATOM 1583 CD1 PHE A 104 -0.382 3.833 4.627 1.00 0.00 C ATOM 1584 CD2 PHE A 104 0.423 5.439 3.059 1.00 0.00 C ATOM 1585 CE1 PHE A 104 0.913 3.586 5.043 1.00 0.00 C ATOM 1586 CE2 PHE A 104 1.720 5.196 3.470 1.00 0.00 C ATOM 1587 CZ PHE A 104 1.965 4.268 4.463 1.00 0.00 C ATOM 0 H PHE A 104 -4.722 5.923 3.224 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.489 5.758 5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -2.576 4.080 3.078 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -2.027 5.490 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -1.201 3.296 5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.237 6.165 2.282 1.00 0.00 H new ATOM 0 HE1 PHE A 104 1.102 2.861 5.821 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.541 5.731 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 104 2.978 4.076 4.786 1.00 0.00 H new ATOM 1597 N ARG A 105 -1.437 7.913 4.201 1.00 0.00 N ATOM 1598 CA ARG A 105 -1.081 9.301 3.933 1.00 0.00 C ATOM 1599 C ARG A 105 0.434 9.484 3.934 1.00 0.00 C ATOM 1600 O ARG A 105 1.114 9.110 4.890 1.00 0.00 O ATOM 1601 CB ARG A 105 -1.717 10.223 4.974 1.00 0.00 C ATOM 1602 CG ARG A 105 -1.461 11.699 4.719 1.00 0.00 C ATOM 1603 CD ARG A 105 -2.013 12.563 5.842 1.00 0.00 C ATOM 1604 NE ARG A 105 -3.465 12.457 5.951 1.00 0.00 N ATOM 1605 CZ ARG A 105 -4.147 12.788 7.042 1.00 0.00 C ATOM 1606 NH1 ARG A 105 -3.510 13.244 8.112 1.00 0.00 N ATOM 1607 NH2 ARG A 105 -5.468 12.663 7.064 1.00 0.00 N ATOM 0 H ARG A 105 -0.734 7.391 4.725 1.00 0.00 H new ATOM 0 HA ARG A 105 -1.461 9.563 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -2.793 10.048 4.993 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -1.334 9.962 5.960 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -0.389 11.871 4.619 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -1.920 11.991 3.775 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -1.556 12.266 6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -1.738 13.603 5.668 1.00 0.00 H new ATOM 0 HE ARG A 105 -3.985 12.110 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.495 13.341 8.098 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -4.035 13.498 8.949 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -5.961 12.312 6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -5.990 12.917 7.902 1.00 0.00 H new ATOM 1621 N PHE A 106 0.956 10.061 2.856 1.00 0.00 N ATOM 1622 CA PHE A 106 2.390 10.292 2.732 1.00 0.00 C ATOM 1623 C PHE A 106 2.773 11.654 3.304 1.00 0.00 C ATOM 1624 O PHE A 106 2.036 12.630 3.159 1.00 0.00 O ATOM 1625 CB PHE A 106 2.817 10.203 1.265 1.00 0.00 C ATOM 1626 CG PHE A 106 2.455 8.900 0.613 1.00 0.00 C ATOM 1627 CD1 PHE A 106 2.837 7.696 1.182 1.00 0.00 C ATOM 1628 CD2 PHE A 106 1.733 8.879 -0.569 1.00 0.00 C ATOM 1629 CE1 PHE A 106 2.505 6.494 0.585 1.00 0.00 C ATOM 1630 CE2 PHE A 106 1.398 7.680 -1.171 1.00 0.00 C ATOM 1631 CZ PHE A 106 1.785 6.487 -0.594 1.00 0.00 C ATOM 0 H PHE A 106 0.407 10.377 2.056 1.00 0.00 H new ATOM 0 HA PHE A 106 2.908 9.520 3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.354 11.019 0.710 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.896 10.345 1.200 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.401 7.696 2.103 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.428 9.809 -1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.808 5.562 1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 106 0.834 7.677 -2.092 1.00 0.00 H new ATOM 0 HZ PHE A 106 1.525 5.550 -1.064 1.00 0.00 H new ATOM 1641 N LEU A 107 3.930 11.712 3.954 1.00 0.00 N ATOM 1642 CA LEU A 107 4.412 12.953 4.549 1.00 0.00 C ATOM 1643 C LEU A 107 5.458 13.614 3.657 1.00 0.00 C ATOM 1644 O LEU A 107 6.286 12.951 3.033 1.00 0.00 O ATOM 1645 CB LEU A 107 5.003 12.683 5.933 1.00 0.00 C ATOM 1646 CG LEU A 107 4.152 11.827 6.872 1.00 0.00 C ATOM 1647 CD1 LEU A 107 4.955 11.414 8.095 1.00 0.00 C ATOM 1648 CD2 LEU A 107 2.895 12.579 7.286 1.00 0.00 C ATOM 0 H LEU A 107 4.552 10.914 4.082 1.00 0.00 H new ATOM 0 HA LEU A 107 3.565 13.632 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.969 12.195 5.804 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.192 13.641 6.418 1.00 0.00 H new ATOM 0 HG LEU A 107 3.853 10.925 6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.332 10.806 8.751 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.824 10.836 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.285 12.304 8.631 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.301 11.955 7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.174 13.498 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.308 12.823 6.400 1.00 0.00 H new ATOM 1660 N PRO A 108 5.423 14.954 3.596 1.00 0.00 N ATOM 1661 CA PRO A 108 6.363 15.734 2.785 1.00 0.00 C ATOM 1662 C PRO A 108 7.780 15.699 3.347 1.00 0.00 C ATOM 1663 O PRO A 108 7.976 15.592 4.557 1.00 0.00 O ATOM 1664 CB PRO A 108 5.795 17.154 2.853 1.00 0.00 C ATOM 1665 CG PRO A 108 5.022 17.193 4.126 1.00 0.00 C ATOM 1666 CD PRO A 108 4.463 15.810 4.313 1.00 0.00 C ATOM 0 HA PRO A 108 6.450 15.343 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.591 17.899 2.850 1.00 0.00 H new ATOM 0 HB3 PRO A 108 5.156 17.366 1.996 1.00 0.00 H new ATOM 0 HG2 PRO A 108 5.662 17.472 4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.223 17.933 4.075 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.396 15.543 5.368 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.459 15.723 3.898 1.00 0.00 H new ATOM 1674 N VAL A 109 8.766 15.791 2.460 1.00 0.00 N ATOM 1675 CA VAL A 109 10.165 15.772 2.867 1.00 0.00 C ATOM 1676 C VAL A 109 10.740 17.183 2.928 1.00 0.00 C ATOM 1677 O VAL A 109 11.947 17.379 2.785 1.00 0.00 O ATOM 1678 CB VAL A 109 11.018 14.923 1.905 1.00 0.00 C ATOM 1679 CG1 VAL A 109 12.335 14.535 2.560 1.00 0.00 C ATOM 1680 CG2 VAL A 109 10.249 13.688 1.461 1.00 0.00 C ATOM 0 H VAL A 109 8.621 15.879 1.454 1.00 0.00 H new ATOM 0 HA VAL A 109 10.199 15.326 3.861 1.00 0.00 H new ATOM 0 HB VAL A 109 11.242 15.521 1.021 1.00 0.00 H new ATOM 0 HG11 VAL A 109 12.924 13.936 1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 109 12.890 15.436 2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 109 12.136 13.955 3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.866 13.100 0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 109 9.993 13.086 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 109 9.336 13.992 0.950 1.00 0.00 H new