USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 864 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 68 SER OG : rot 71:sc= 0.16 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -161:sc= -0.0793 (180deg=-0.451) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0832 USER MOD Single : A 8 THR OG1 : rot -154:sc= -0.145 USER MOD Single : A 19 ASN : amide:sc= -2.1! C(o=-2.1!,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot -85:sc= 0.208 USER MOD Single : A 22 GLN : amide:sc= -3.51! C(o=-3.5!,f=-4.3!) USER MOD Single : A 23 ASN : amide:sc= -1.51 K(o=-1.5,f=-4!) USER MOD Single : A 24 GLN : amide:sc= -1.8 K(o=-1.8,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0052) USER MOD Single : A 30 ASN : amide:sc=-0.00971 X(o=-0.0097,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.494 USER MOD Single : A 33 MET CE :methyl -165:sc= -0.57 (180deg=-1.12) USER MOD Single : A 36 SER OG : rot -92:sc= 0.259 USER MOD Single : A 38 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.008) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.386! USER MOD Single : A 43 MET CE :methyl -150:sc= -0.148 (180deg=-1.85) USER MOD Single : A 44 TYR OH : rot 70:sc= -0.345 USER MOD Single : A 50 SER OG : rot -133:sc= 0.0318 USER MOD Single : A 53 ASN : amide:sc= 0.706 K(o=0.71,f=-3.6!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -134:sc= -3.87! (180deg=-6.81!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.0826 K(o=-0.083,f=-2.1!) USER MOD Single : A 66 MET CE :methyl -175:sc= -1.12 (180deg=-1.31) USER MOD Single : A 73 HIS : no HE2:sc= -9.03! C(o=-9!,f=-15!) USER MOD Single : A 76 SER OG : rot 180:sc= 0.123 USER MOD Single : A 79 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.84) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -37:sc= 0.292 USER MOD Single : A 84 HIS : no HD1:sc= -5.42! C(o=-5.4!,f=-6.3!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.15) USER MOD Single : A 97 LYS NZ :NH3+ -159:sc= -0.2 (180deg=-0.908) USER MOD Single : A 102 HIS : no HD1:sc= -3.9 X(o=-3.9,f=-4.2) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.015) USER MOD Single : A 113 ASN : amide:sc= -0.038 K(o=-0.038,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 17.884 5.102 4.165 1.00 0.00 N ATOM 58 CA PRO A 5 17.916 5.797 2.845 1.00 0.00 C ATOM 59 C PRO A 5 16.595 5.613 2.065 1.00 0.00 C ATOM 60 O PRO A 5 15.782 4.781 2.415 1.00 0.00 O ATOM 61 CB PRO A 5 19.095 5.108 2.123 1.00 0.00 C ATOM 62 CG PRO A 5 19.794 4.154 3.115 1.00 0.00 C ATOM 63 CD PRO A 5 19.005 4.154 4.438 1.00 0.00 C ATOM 0 HA PRO A 5 18.034 6.877 2.937 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.735 4.554 1.256 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.800 5.853 1.755 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.840 3.146 2.702 1.00 0.00 H new ATOM 0 HG3 PRO A 5 20.821 4.475 3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.639 3.158 4.689 1.00 0.00 H new ATOM 0 HD3 PRO A 5 19.620 4.487 5.274 1.00 0.00 H new ATOM 71 N PRO A 6 16.384 6.374 1.011 1.00 0.00 N ATOM 72 CA PRO A 6 15.134 6.247 0.200 1.00 0.00 C ATOM 73 C PRO A 6 15.067 4.921 -0.577 1.00 0.00 C ATOM 74 O PRO A 6 14.122 4.166 -0.460 1.00 0.00 O ATOM 75 CB PRO A 6 15.245 7.448 -0.759 1.00 0.00 C ATOM 76 CG PRO A 6 16.697 7.957 -0.719 1.00 0.00 C ATOM 77 CD PRO A 6 17.359 7.411 0.558 1.00 0.00 C ATOM 0 HA PRO A 6 14.231 6.245 0.811 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.973 7.153 -1.772 1.00 0.00 H new ATOM 0 HB3 PRO A 6 14.556 8.238 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 6 17.242 7.624 -1.602 1.00 0.00 H new ATOM 0 HG3 PRO A 6 16.719 9.047 -0.723 1.00 0.00 H new ATOM 0 HD2 PRO A 6 18.341 6.983 0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 6 17.500 8.190 1.307 1.00 0.00 H new ATOM 85 N SER A 7 16.059 4.644 -1.376 1.00 0.00 N ATOM 86 CA SER A 7 16.054 3.382 -2.172 1.00 0.00 C ATOM 87 C SER A 7 16.012 2.175 -1.235 1.00 0.00 C ATOM 88 O SER A 7 15.345 1.194 -1.499 1.00 0.00 O ATOM 89 CB SER A 7 17.321 3.318 -3.026 1.00 0.00 C ATOM 90 OG SER A 7 18.446 3.109 -2.182 1.00 0.00 O ATOM 0 H SER A 7 16.876 5.238 -1.513 1.00 0.00 H new ATOM 0 HA SER A 7 15.174 3.366 -2.815 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.243 2.510 -3.754 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.441 4.244 -3.589 1.00 0.00 H new ATOM 0 HG SER A 7 19.260 3.066 -2.726 1.00 0.00 H new ATOM 96 N THR A 8 16.723 2.235 -0.146 1.00 0.00 N ATOM 97 CA THR A 8 16.732 1.089 0.806 1.00 0.00 C ATOM 98 C THR A 8 15.351 0.931 1.448 1.00 0.00 C ATOM 99 O THR A 8 14.872 -0.167 1.638 1.00 0.00 O ATOM 100 CB THR A 8 17.782 1.334 1.889 1.00 0.00 C ATOM 101 OG1 THR A 8 19.060 1.457 1.280 1.00 0.00 O ATOM 102 CG2 THR A 8 17.792 0.163 2.874 1.00 0.00 C ATOM 0 H THR A 8 17.300 3.030 0.128 1.00 0.00 H new ATOM 0 HA THR A 8 16.976 0.175 0.265 1.00 0.00 H new ATOM 0 HB THR A 8 17.543 2.251 2.428 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.755 1.203 1.923 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.542 0.342 3.644 1.00 0.00 H new ATOM 0 HG22 THR A 8 16.810 0.070 3.338 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.031 -0.758 2.342 1.00 0.00 H new ATOM 110 N ALA A 9 14.705 2.012 1.787 1.00 0.00 N ATOM 111 CA ALA A 9 13.360 1.895 2.421 1.00 0.00 C ATOM 112 C ALA A 9 12.422 1.146 1.474 1.00 0.00 C ATOM 113 O ALA A 9 11.706 0.250 1.875 1.00 0.00 O ATOM 114 CB ALA A 9 12.797 3.294 2.691 1.00 0.00 C ATOM 0 H ALA A 9 15.046 2.964 1.654 1.00 0.00 H new ATOM 0 HA ALA A 9 13.446 1.351 3.362 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.814 3.207 3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.467 3.833 3.360 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.708 3.838 1.751 1.00 0.00 H new ATOM 120 N LEU A 10 12.424 1.502 0.220 1.00 0.00 N ATOM 121 CA LEU A 10 11.539 0.808 -0.757 1.00 0.00 C ATOM 122 C LEU A 10 11.890 -0.683 -0.801 1.00 0.00 C ATOM 123 O LEU A 10 11.029 -1.536 -0.715 1.00 0.00 O ATOM 124 CB LEU A 10 11.741 1.429 -2.143 1.00 0.00 C ATOM 125 CG LEU A 10 10.844 0.737 -3.180 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.363 0.937 -2.825 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.130 1.341 -4.555 1.00 0.00 C ATOM 0 H LEU A 10 13.002 2.246 -0.172 1.00 0.00 H new ATOM 0 HA LEU A 10 10.498 0.919 -0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.511 2.494 -2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.786 1.338 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 10 11.056 -0.332 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.740 0.441 -3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.164 0.510 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.133 2.002 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.500 0.859 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.916 2.410 -4.535 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.178 1.186 -4.810 1.00 0.00 H new ATOM 139 N ARG A 11 13.148 -1.003 -0.949 1.00 0.00 N ATOM 140 CA ARG A 11 13.551 -2.437 -1.017 1.00 0.00 C ATOM 141 C ARG A 11 13.142 -3.146 0.275 1.00 0.00 C ATOM 142 O ARG A 11 12.608 -4.238 0.255 1.00 0.00 O ATOM 143 CB ARG A 11 15.067 -2.518 -1.190 1.00 0.00 C ATOM 144 CG ARG A 11 15.440 -2.023 -2.589 1.00 0.00 C ATOM 145 CD ARG A 11 16.956 -2.096 -2.772 1.00 0.00 C ATOM 146 NE ARG A 11 17.608 -1.078 -1.900 1.00 0.00 N ATOM 147 CZ ARG A 11 18.888 -1.149 -1.660 1.00 0.00 C ATOM 148 NH1 ARG A 11 19.592 -2.130 -2.154 1.00 0.00 N ATOM 149 NH2 ARG A 11 19.463 -0.241 -0.919 1.00 0.00 N ATOM 0 H ARG A 11 13.913 -0.333 -1.026 1.00 0.00 H new ATOM 0 HA ARG A 11 13.058 -2.920 -1.860 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.565 -1.913 -0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.407 -3.544 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.943 -2.630 -3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.096 -0.998 -2.727 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.317 -3.093 -2.519 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.217 -1.918 -3.815 1.00 0.00 H new ATOM 0 HE ARG A 11 17.053 -0.326 -1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 11 19.141 -2.842 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 11 20.593 -2.185 -1.966 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.911 0.523 -0.528 1.00 0.00 H new ATOM 0 HH22 ARG A 11 20.464 -0.295 -0.731 1.00 0.00 H new ATOM 163 N GLU A 12 13.373 -2.526 1.398 1.00 0.00 N ATOM 164 CA GLU A 12 12.983 -3.153 2.691 1.00 0.00 C ATOM 165 C GLU A 12 11.467 -3.354 2.714 1.00 0.00 C ATOM 166 O GLU A 12 10.969 -4.356 3.188 1.00 0.00 O ATOM 167 CB GLU A 12 13.407 -2.244 3.847 1.00 0.00 C ATOM 168 CG GLU A 12 14.931 -2.267 3.980 1.00 0.00 C ATOM 169 CD GLU A 12 15.359 -1.330 5.110 1.00 0.00 C ATOM 170 OE1 GLU A 12 14.516 -0.591 5.592 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.523 -1.366 5.475 1.00 0.00 O ATOM 0 H GLU A 12 13.816 -1.610 1.476 1.00 0.00 H new ATOM 0 HA GLU A 12 13.477 -4.119 2.798 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.062 -1.226 3.668 1.00 0.00 H new ATOM 0 HB3 GLU A 12 12.945 -2.579 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.273 -3.281 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.393 -1.958 3.042 1.00 0.00 H new ATOM 178 N LEU A 13 10.730 -2.402 2.213 1.00 0.00 N ATOM 179 CA LEU A 13 9.245 -2.528 2.211 1.00 0.00 C ATOM 180 C LEU A 13 8.815 -3.620 1.227 1.00 0.00 C ATOM 181 O LEU A 13 7.978 -4.445 1.534 1.00 0.00 O ATOM 182 CB LEU A 13 8.639 -1.187 1.781 1.00 0.00 C ATOM 183 CG LEU A 13 7.104 -1.262 1.759 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.563 -1.569 3.164 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.555 0.085 1.278 1.00 0.00 C ATOM 0 H LEU A 13 11.092 -1.541 1.804 1.00 0.00 H new ATOM 0 HA LEU A 13 8.898 -2.795 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.959 -0.402 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.008 -0.917 0.792 1.00 0.00 H new ATOM 0 HG LEU A 13 6.788 -2.059 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.475 -1.619 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.960 -2.525 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.870 -0.781 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.466 0.047 1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.878 0.873 1.958 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.930 0.294 0.276 1.00 0.00 H new ATOM 197 N ILE A 14 9.371 -3.632 0.047 1.00 0.00 N ATOM 198 CA ILE A 14 8.975 -4.675 -0.941 1.00 0.00 C ATOM 199 C ILE A 14 9.281 -6.065 -0.372 1.00 0.00 C ATOM 200 O ILE A 14 8.471 -6.967 -0.445 1.00 0.00 O ATOM 201 CB ILE A 14 9.737 -4.463 -2.257 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.228 -3.186 -2.937 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.501 -5.658 -3.187 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.139 -2.828 -4.113 1.00 0.00 C ATOM 0 H ILE A 14 10.077 -2.970 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 14 7.906 -4.598 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 14 10.803 -4.371 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.206 -3.332 -3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.205 -2.365 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.043 -5.505 -4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 14 9.857 -6.569 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.435 -5.751 -3.397 1.00 0.00 H new ATOM 0 HD11 ILE A 14 9.774 -1.920 -4.593 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.154 -2.663 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.140 -3.645 -4.835 1.00 0.00 H new ATOM 216 N GLU A 15 10.447 -6.247 0.185 1.00 0.00 N ATOM 217 CA GLU A 15 10.806 -7.581 0.747 1.00 0.00 C ATOM 218 C GLU A 15 9.819 -7.971 1.849 1.00 0.00 C ATOM 219 O GLU A 15 9.413 -9.112 1.955 1.00 0.00 O ATOM 220 CB GLU A 15 12.214 -7.517 1.344 1.00 0.00 C ATOM 221 CG GLU A 15 13.245 -7.383 0.223 1.00 0.00 C ATOM 222 CD GLU A 15 14.632 -7.180 0.834 1.00 0.00 C ATOM 223 OE1 GLU A 15 15.290 -8.172 1.104 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.012 -6.037 1.024 1.00 0.00 O ATOM 0 H GLU A 15 11.167 -5.530 0.275 1.00 0.00 H new ATOM 0 HA GLU A 15 10.769 -8.322 -0.051 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.292 -6.670 2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.413 -8.416 1.928 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.238 -8.276 -0.402 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.992 -6.541 -0.421 1.00 0.00 H new ATOM 231 N GLU A 16 9.440 -7.040 2.679 1.00 0.00 N ATOM 232 CA GLU A 16 8.493 -7.371 3.780 1.00 0.00 C ATOM 233 C GLU A 16 7.097 -7.644 3.212 1.00 0.00 C ATOM 234 O GLU A 16 6.431 -8.580 3.609 1.00 0.00 O ATOM 235 CB GLU A 16 8.433 -6.199 4.762 1.00 0.00 C ATOM 236 CG GLU A 16 7.563 -6.580 5.961 1.00 0.00 C ATOM 237 CD GLU A 16 7.555 -5.428 6.968 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.314 -4.493 6.774 1.00 0.00 O ATOM 239 OE2 GLU A 16 6.791 -5.501 7.916 1.00 0.00 O ATOM 0 H GLU A 16 9.744 -6.067 2.643 1.00 0.00 H new ATOM 0 HA GLU A 16 8.841 -8.265 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.437 -5.939 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.024 -5.318 4.268 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.547 -6.798 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.947 -7.486 6.430 1.00 0.00 H new ATOM 246 N LEU A 17 6.644 -6.838 2.289 1.00 0.00 N ATOM 247 CA LEU A 17 5.289 -7.064 1.709 1.00 0.00 C ATOM 248 C LEU A 17 5.241 -8.431 1.022 1.00 0.00 C ATOM 249 O LEU A 17 4.285 -9.167 1.146 1.00 0.00 O ATOM 250 CB LEU A 17 4.979 -5.975 0.678 1.00 0.00 C ATOM 251 CG LEU A 17 4.774 -4.625 1.381 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.651 -3.527 0.319 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.498 -4.657 2.253 1.00 0.00 C ATOM 0 H LEU A 17 7.151 -6.037 1.913 1.00 0.00 H new ATOM 0 HA LEU A 17 4.551 -7.031 2.511 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.796 -5.900 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.084 -6.240 0.115 1.00 0.00 H new ATOM 0 HG LEU A 17 5.627 -4.423 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.505 -2.563 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.561 -3.496 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.799 -3.739 -0.327 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.368 -3.692 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.632 -4.863 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.592 -5.438 3.007 1.00 0.00 H new ATOM 265 N VAL A 18 6.263 -8.770 0.288 1.00 0.00 N ATOM 266 CA VAL A 18 6.276 -10.081 -0.422 1.00 0.00 C ATOM 267 C VAL A 18 6.315 -11.235 0.590 1.00 0.00 C ATOM 268 O VAL A 18 5.656 -12.239 0.425 1.00 0.00 O ATOM 269 CB VAL A 18 7.518 -10.146 -1.320 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.696 -11.564 -1.869 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.356 -9.168 -2.485 1.00 0.00 C ATOM 0 H VAL A 18 7.093 -8.194 0.148 1.00 0.00 H new ATOM 0 HA VAL A 18 5.372 -10.174 -1.024 1.00 0.00 H new ATOM 0 HB VAL A 18 8.396 -9.877 -0.733 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.580 -11.599 -2.505 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.817 -12.262 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.818 -11.841 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.238 -9.214 -3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.473 -9.437 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.241 -8.156 -2.097 1.00 0.00 H new ATOM 281 N ASN A 19 7.099 -11.108 1.619 1.00 0.00 N ATOM 282 CA ASN A 19 7.207 -12.209 2.621 1.00 0.00 C ATOM 283 C ASN A 19 5.848 -12.510 3.268 1.00 0.00 C ATOM 284 O ASN A 19 5.517 -13.651 3.519 1.00 0.00 O ATOM 285 CB ASN A 19 8.202 -11.794 3.706 1.00 0.00 C ATOM 286 CG ASN A 19 8.328 -12.909 4.746 1.00 0.00 C ATOM 287 OD1 ASN A 19 7.599 -13.880 4.705 1.00 0.00 O ATOM 288 ND2 ASN A 19 9.231 -12.809 5.682 1.00 0.00 N ATOM 0 H ASN A 19 7.673 -10.288 1.814 1.00 0.00 H new ATOM 0 HA ASN A 19 7.548 -13.110 2.111 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.175 -11.588 3.260 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.869 -10.873 4.185 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.326 -13.546 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.843 -11.993 5.716 1.00 0.00 H new ATOM 295 N ILE A 20 5.072 -11.506 3.569 1.00 0.00 N ATOM 296 CA ILE A 20 3.754 -11.755 4.231 1.00 0.00 C ATOM 297 C ILE A 20 2.689 -12.241 3.232 1.00 0.00 C ATOM 298 O ILE A 20 1.695 -12.816 3.629 1.00 0.00 O ATOM 299 CB ILE A 20 3.280 -10.470 4.923 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.133 -9.340 3.898 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.303 -10.061 5.984 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.427 -8.145 4.547 1.00 0.00 C ATOM 0 H ILE A 20 5.289 -10.526 3.387 1.00 0.00 H new ATOM 0 HA ILE A 20 3.892 -12.546 4.968 1.00 0.00 H new ATOM 0 HB ILE A 20 2.313 -10.654 5.390 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.114 -9.040 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.563 -9.688 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.970 -9.148 6.478 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.401 -10.858 6.721 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.269 -9.885 5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.324 -7.343 3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.439 -8.450 4.893 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.015 -7.791 5.394 1.00 0.00 H new ATOM 314 N THR A 21 2.861 -12.005 1.950 1.00 0.00 N ATOM 315 CA THR A 21 1.816 -12.449 0.962 1.00 0.00 C ATOM 316 C THR A 21 2.201 -13.779 0.303 1.00 0.00 C ATOM 317 O THR A 21 1.377 -14.431 -0.304 1.00 0.00 O ATOM 318 CB THR A 21 1.652 -11.387 -0.132 1.00 0.00 C ATOM 319 OG1 THR A 21 2.903 -11.179 -0.773 1.00 0.00 O ATOM 320 CG2 THR A 21 1.158 -10.065 0.473 1.00 0.00 C ATOM 0 H THR A 21 3.669 -11.530 1.547 1.00 0.00 H new ATOM 0 HA THR A 21 0.880 -12.583 1.505 1.00 0.00 H new ATOM 0 HB THR A 21 0.916 -11.735 -0.857 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.425 -10.523 -0.266 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.047 -9.322 -0.317 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.195 -10.224 0.959 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.880 -9.708 1.207 1.00 0.00 H new ATOM 328 N GLN A 22 3.428 -14.198 0.405 1.00 0.00 N ATOM 329 CA GLN A 22 3.804 -15.494 -0.232 1.00 0.00 C ATOM 330 C GLN A 22 3.250 -16.660 0.591 1.00 0.00 C ATOM 331 O GLN A 22 2.952 -17.713 0.065 1.00 0.00 O ATOM 332 CB GLN A 22 5.328 -15.615 -0.323 1.00 0.00 C ATOM 333 CG GLN A 22 5.853 -14.723 -1.450 1.00 0.00 C ATOM 334 CD GLN A 22 7.380 -14.683 -1.392 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.969 -15.005 -0.380 1.00 0.00 O ATOM 336 NE2 GLN A 22 8.051 -14.295 -2.442 1.00 0.00 N ATOM 0 H GLN A 22 4.179 -13.711 0.893 1.00 0.00 H new ATOM 0 HA GLN A 22 3.381 -15.525 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.782 -15.325 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.609 -16.652 -0.507 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.524 -15.106 -2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.447 -13.716 -1.352 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.556 -14.025 -3.292 1.00 0.00 H new ATOM 0 HE22 GLN A 22 9.070 -14.262 -2.413 1.00 0.00 H new ATOM 345 N ASN A 23 3.128 -16.490 1.882 1.00 0.00 N ATOM 346 CA ASN A 23 2.613 -17.603 2.740 1.00 0.00 C ATOM 347 C ASN A 23 1.106 -17.464 2.979 1.00 0.00 C ATOM 348 O ASN A 23 0.492 -18.332 3.566 1.00 0.00 O ATOM 349 CB ASN A 23 3.329 -17.566 4.090 1.00 0.00 C ATOM 350 CG ASN A 23 2.997 -16.257 4.807 1.00 0.00 C ATOM 351 OD1 ASN A 23 1.851 -15.992 5.112 1.00 0.00 O ATOM 352 ND2 ASN A 23 3.958 -15.422 5.095 1.00 0.00 N ATOM 0 H ASN A 23 3.362 -15.631 2.380 1.00 0.00 H new ATOM 0 HA ASN A 23 2.801 -18.547 2.228 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.022 -18.415 4.700 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.406 -17.651 3.945 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.747 -14.548 5.576 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.920 -15.644 4.839 1.00 0.00 H new ATOM 359 N GLN A 24 0.490 -16.391 2.551 1.00 0.00 N ATOM 360 CA GLN A 24 -0.978 -16.253 2.798 1.00 0.00 C ATOM 361 C GLN A 24 -1.758 -16.992 1.706 1.00 0.00 C ATOM 362 O GLN A 24 -1.558 -16.771 0.528 1.00 0.00 O ATOM 363 CB GLN A 24 -1.380 -14.759 2.827 1.00 0.00 C ATOM 364 CG GLN A 24 -1.539 -14.188 1.410 1.00 0.00 C ATOM 365 CD GLN A 24 -1.747 -12.674 1.495 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.210 -12.022 2.368 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.516 -12.085 0.621 1.00 0.00 N ATOM 0 H GLN A 24 0.929 -15.618 2.051 1.00 0.00 H new ATOM 0 HA GLN A 24 -1.218 -16.693 3.766 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.316 -14.644 3.373 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.624 -14.189 3.367 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.654 -14.412 0.814 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.387 -14.656 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.967 -12.632 -0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.666 -11.077 0.671 1.00 0.00 H new ATOM 376 N LYS A 25 -2.664 -17.852 2.087 1.00 0.00 N ATOM 377 CA LYS A 25 -3.477 -18.579 1.070 1.00 0.00 C ATOM 378 C LYS A 25 -4.706 -17.722 0.772 1.00 0.00 C ATOM 379 O LYS A 25 -4.752 -16.996 -0.201 1.00 0.00 O ATOM 380 CB LYS A 25 -3.922 -19.937 1.624 1.00 0.00 C ATOM 381 CG LYS A 25 -4.692 -20.700 0.542 1.00 0.00 C ATOM 382 CD LYS A 25 -5.140 -22.059 1.089 1.00 0.00 C ATOM 383 CE LYS A 25 -5.909 -22.825 0.008 1.00 0.00 C ATOM 384 NZ LYS A 25 -7.301 -22.298 -0.086 1.00 0.00 N ATOM 0 H LYS A 25 -2.876 -18.082 3.058 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.892 -18.752 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.054 -20.514 1.944 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.552 -19.795 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.559 -20.122 0.223 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.062 -20.840 -0.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.273 -22.636 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.771 -21.918 1.967 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.405 -22.722 -0.953 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.928 -23.889 0.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.836 -22.853 -0.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.764 -22.372 0.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.276 -21.301 -0.382 1.00 0.00 H new ATOM 398 N ALA A 26 -5.690 -17.782 1.625 1.00 0.00 N ATOM 399 CA ALA A 26 -6.908 -16.953 1.426 1.00 0.00 C ATOM 400 C ALA A 26 -6.594 -15.530 1.919 1.00 0.00 C ATOM 401 O ALA A 26 -5.711 -15.348 2.735 1.00 0.00 O ATOM 402 CB ALA A 26 -8.061 -17.562 2.243 1.00 0.00 C ATOM 0 H ALA A 26 -5.702 -18.374 2.456 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.200 -16.923 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.961 -16.962 2.105 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.248 -18.581 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.792 -17.575 3.299 1.00 0.00 H new ATOM 408 N PRO A 27 -7.295 -14.525 1.448 1.00 0.00 N ATOM 409 CA PRO A 27 -7.027 -13.134 1.902 1.00 0.00 C ATOM 410 C PRO A 27 -6.801 -13.061 3.421 1.00 0.00 C ATOM 411 O PRO A 27 -7.450 -13.744 4.187 1.00 0.00 O ATOM 412 CB PRO A 27 -8.311 -12.406 1.472 1.00 0.00 C ATOM 413 CG PRO A 27 -9.025 -13.283 0.421 1.00 0.00 C ATOM 414 CD PRO A 27 -8.387 -14.687 0.447 1.00 0.00 C ATOM 0 HA PRO A 27 -6.120 -12.701 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.960 -12.237 2.332 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.073 -11.428 1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.091 -13.346 0.640 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -8.929 -12.841 -0.571 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.102 -15.453 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.002 -14.976 -0.531 1.00 0.00 H new ATOM 422 N LEU A 28 -5.876 -12.248 3.857 1.00 0.00 N ATOM 423 CA LEU A 28 -5.604 -12.147 5.319 1.00 0.00 C ATOM 424 C LEU A 28 -6.846 -11.620 6.037 1.00 0.00 C ATOM 425 O LEU A 28 -7.201 -12.078 7.105 1.00 0.00 O ATOM 426 CB LEU A 28 -4.450 -11.166 5.549 1.00 0.00 C ATOM 427 CG LEU A 28 -3.183 -11.654 4.834 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.160 -10.516 4.804 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.578 -12.857 5.574 1.00 0.00 C ATOM 0 H LEU A 28 -5.299 -11.651 3.265 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.344 -13.132 5.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.725 -10.178 5.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.257 -11.066 6.617 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.441 -11.959 3.820 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.256 -10.853 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.579 -9.664 4.269 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.916 -10.219 5.824 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.680 -13.190 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.320 -12.566 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.304 -13.670 5.602 1.00 0.00 H new ATOM 441 N CYS A 29 -7.507 -10.658 5.458 1.00 0.00 N ATOM 442 CA CYS A 29 -8.726 -10.093 6.105 1.00 0.00 C ATOM 443 C CYS A 29 -9.936 -10.971 5.789 1.00 0.00 C ATOM 444 O CYS A 29 -9.909 -11.782 4.884 1.00 0.00 O ATOM 445 CB CYS A 29 -8.970 -8.678 5.577 1.00 0.00 C ATOM 446 SG CYS A 29 -7.625 -7.593 6.116 1.00 0.00 S ATOM 0 H CYS A 29 -7.257 -10.237 4.563 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.579 -10.062 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -9.028 -8.689 4.489 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.925 -8.301 5.944 1.00 0.00 H new ATOM 451 N ASN A 30 -11.000 -10.809 6.528 1.00 0.00 N ATOM 452 CA ASN A 30 -12.223 -11.621 6.276 1.00 0.00 C ATOM 453 C ASN A 30 -12.817 -11.230 4.922 1.00 0.00 C ATOM 454 O ASN A 30 -14.010 -11.042 4.789 1.00 0.00 O ATOM 455 CB ASN A 30 -13.251 -11.352 7.377 1.00 0.00 C ATOM 456 CG ASN A 30 -12.696 -11.816 8.725 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.562 -11.030 9.643 1.00 0.00 O ATOM 458 ND2 ASN A 30 -12.364 -13.067 8.885 1.00 0.00 N ATOM 0 H ASN A 30 -11.074 -10.145 7.299 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.964 -12.680 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.486 -10.288 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.181 -11.876 7.156 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.992 -13.386 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.476 -13.727 8.115 1.00 0.00 H new ATOM 465 N GLY A 31 -11.996 -11.096 3.917 1.00 0.00 N ATOM 466 CA GLY A 31 -12.518 -10.706 2.579 1.00 0.00 C ATOM 467 C GLY A 31 -12.780 -9.200 2.564 1.00 0.00 C ATOM 468 O GLY A 31 -13.646 -8.717 1.863 1.00 0.00 O ATOM 0 H GLY A 31 -10.987 -11.240 3.965 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.799 -10.970 1.803 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.437 -11.250 2.361 1.00 0.00 H new ATOM 472 N SER A 32 -12.040 -8.454 3.340 1.00 0.00 N ATOM 473 CA SER A 32 -12.250 -6.980 3.376 1.00 0.00 C ATOM 474 C SER A 32 -12.029 -6.398 1.978 1.00 0.00 C ATOM 475 O SER A 32 -11.134 -6.803 1.257 1.00 0.00 O ATOM 476 CB SER A 32 -11.259 -6.349 4.356 1.00 0.00 C ATOM 477 OG SER A 32 -11.615 -6.713 5.684 1.00 0.00 O ATOM 0 H SER A 32 -11.300 -8.802 3.950 1.00 0.00 H new ATOM 0 HA SER A 32 -13.268 -6.765 3.700 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.246 -6.685 4.134 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.266 -5.264 4.250 1.00 0.00 H new ATOM 0 HG SER A 32 -10.981 -6.312 6.314 1.00 0.00 H new ATOM 483 N MET A 33 -12.850 -5.454 1.590 1.00 0.00 N ATOM 484 CA MET A 33 -12.723 -4.830 0.236 1.00 0.00 C ATOM 485 C MET A 33 -12.173 -3.408 0.373 1.00 0.00 C ATOM 486 O MET A 33 -12.424 -2.728 1.348 1.00 0.00 O ATOM 487 CB MET A 33 -14.106 -4.779 -0.419 1.00 0.00 C ATOM 488 CG MET A 33 -14.663 -6.197 -0.557 1.00 0.00 C ATOM 489 SD MET A 33 -13.718 -7.100 -1.813 1.00 0.00 S ATOM 490 CE MET A 33 -14.302 -6.194 -3.271 1.00 0.00 C ATOM 0 H MET A 33 -13.611 -5.085 2.160 1.00 0.00 H new ATOM 0 HA MET A 33 -12.042 -5.420 -0.377 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.781 -4.169 0.181 1.00 0.00 H new ATOM 0 HB3 MET A 33 -14.038 -4.308 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 33 -14.605 -6.716 0.400 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.716 -6.160 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.052 -6.754 -4.172 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.383 -6.066 -3.211 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.823 -5.216 -3.308 1.00 0.00 H new ATOM 500 N VAL A 34 -11.419 -2.957 -0.602 1.00 0.00 N ATOM 501 CA VAL A 34 -10.838 -1.576 -0.550 1.00 0.00 C ATOM 502 C VAL A 34 -11.124 -0.849 -1.867 1.00 0.00 C ATOM 503 O VAL A 34 -11.409 -1.462 -2.877 1.00 0.00 O ATOM 504 CB VAL A 34 -9.326 -1.675 -0.337 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.046 -2.070 1.114 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.744 -2.739 -1.272 1.00 0.00 C ATOM 0 H VAL A 34 -11.179 -3.490 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.288 -1.020 0.272 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.865 -0.711 -0.553 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.970 -2.142 1.270 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.460 -1.316 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.508 -3.035 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.667 -2.808 -1.119 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.204 -3.704 -1.057 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.946 -2.464 -2.307 1.00 0.00 H new ATOM 516 N TRP A 35 -11.055 0.456 -1.860 1.00 0.00 N ATOM 517 CA TRP A 35 -11.329 1.227 -3.107 1.00 0.00 C ATOM 518 C TRP A 35 -10.133 1.129 -4.053 1.00 0.00 C ATOM 519 O TRP A 35 -9.010 1.402 -3.678 1.00 0.00 O ATOM 520 CB TRP A 35 -11.547 2.701 -2.758 1.00 0.00 C ATOM 521 CG TRP A 35 -12.834 2.879 -2.019 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.962 2.874 -0.673 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.169 3.102 -2.556 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.289 3.085 -0.349 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.073 3.228 -1.476 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.677 3.204 -3.862 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.435 3.450 -1.684 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.047 3.425 -4.076 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.924 3.548 -2.989 1.00 0.00 C ATOM 0 H TRP A 35 -10.821 1.021 -1.044 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.217 0.815 -3.587 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.718 3.063 -2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.558 3.299 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.158 2.729 0.034 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.645 3.130 0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.010 3.112 -4.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.106 3.545 -0.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.427 3.501 -5.084 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -17.977 3.718 -3.160 1.00 0.00 H new ATOM 540 N SER A 36 -10.364 0.764 -5.284 1.00 0.00 N ATOM 541 CA SER A 36 -9.236 0.679 -6.250 1.00 0.00 C ATOM 542 C SER A 36 -8.764 2.098 -6.581 1.00 0.00 C ATOM 543 O SER A 36 -9.540 3.033 -6.560 1.00 0.00 O ATOM 544 CB SER A 36 -9.708 -0.016 -7.527 1.00 0.00 C ATOM 545 OG SER A 36 -10.604 0.839 -8.224 1.00 0.00 O ATOM 0 H SER A 36 -11.281 0.522 -5.660 1.00 0.00 H new ATOM 0 HA SER A 36 -8.416 0.107 -5.815 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.854 -0.260 -8.159 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.201 -0.956 -7.282 1.00 0.00 H new ATOM 0 HG SER A 36 -11.524 0.640 -7.952 1.00 0.00 H new ATOM 551 N ILE A 37 -7.502 2.268 -6.887 1.00 0.00 N ATOM 552 CA ILE A 37 -6.974 3.630 -7.224 1.00 0.00 C ATOM 553 C ILE A 37 -6.097 3.544 -8.474 1.00 0.00 C ATOM 554 O ILE A 37 -5.632 2.484 -8.845 1.00 0.00 O ATOM 555 CB ILE A 37 -6.135 4.164 -6.056 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.101 3.109 -5.627 1.00 0.00 C ATOM 557 CG2 ILE A 37 -7.052 4.492 -4.875 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.984 3.781 -4.822 1.00 0.00 C ATOM 0 H ILE A 37 -6.810 1.519 -6.919 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.812 4.303 -7.408 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.613 5.067 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.582 2.337 -5.026 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.684 2.616 -6.505 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.455 4.871 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.777 5.248 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.578 3.590 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.253 3.032 -4.519 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.496 4.537 -5.438 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.408 4.253 -3.936 1.00 0.00 H new ATOM 570 N ASN A 38 -5.851 4.654 -9.117 1.00 0.00 N ATOM 571 CA ASN A 38 -4.986 4.632 -10.329 1.00 0.00 C ATOM 572 C ASN A 38 -3.534 4.701 -9.863 1.00 0.00 C ATOM 573 O ASN A 38 -3.159 5.575 -9.108 1.00 0.00 O ATOM 574 CB ASN A 38 -5.303 5.842 -11.210 1.00 0.00 C ATOM 575 CG ASN A 38 -6.704 5.688 -11.803 1.00 0.00 C ATOM 576 OD1 ASN A 38 -7.516 6.587 -11.714 1.00 0.00 O ATOM 577 ND2 ASN A 38 -7.023 4.578 -12.409 1.00 0.00 N ATOM 0 H ASN A 38 -6.211 5.572 -8.855 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.160 3.725 -10.908 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.244 6.758 -10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.566 5.927 -12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.955 4.465 -12.808 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -6.341 3.823 -12.484 1.00 0.00 H new ATOM 584 N LEU A 39 -2.719 3.774 -10.278 1.00 0.00 N ATOM 585 CA LEU A 39 -1.303 3.779 -9.819 1.00 0.00 C ATOM 586 C LEU A 39 -0.496 4.774 -10.662 1.00 0.00 C ATOM 587 O LEU A 39 -0.330 4.603 -11.854 1.00 0.00 O ATOM 588 CB LEU A 39 -0.704 2.369 -9.964 1.00 0.00 C ATOM 589 CG LEU A 39 -1.286 1.387 -8.915 1.00 0.00 C ATOM 590 CD1 LEU A 39 -0.606 1.580 -7.554 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.798 1.584 -8.751 1.00 0.00 C ATOM 0 H LEU A 39 -2.970 3.016 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.264 4.077 -8.771 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.903 1.990 -10.967 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.379 2.421 -9.852 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.096 0.377 -9.277 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.030 0.881 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.464 1.396 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.768 2.601 -7.208 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.178 0.882 -8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.998 2.604 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.294 1.407 -9.706 1.00 0.00 H new ATOM 603 N THR A 40 0.005 5.817 -10.045 1.00 0.00 N ATOM 604 CA THR A 40 0.803 6.836 -10.795 1.00 0.00 C ATOM 605 C THR A 40 1.983 7.297 -9.935 1.00 0.00 C ATOM 606 O THR A 40 2.995 6.631 -9.852 1.00 0.00 O ATOM 607 CB THR A 40 -0.086 8.038 -11.118 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.557 8.613 -9.907 1.00 0.00 O ATOM 609 CG2 THR A 40 -1.274 7.583 -11.966 1.00 0.00 C ATOM 0 H THR A 40 -0.106 6.007 -9.049 1.00 0.00 H new ATOM 0 HA THR A 40 1.176 6.396 -11.720 1.00 0.00 H new ATOM 0 HB THR A 40 0.489 8.779 -11.673 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.126 9.385 -10.111 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.907 8.440 -12.196 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.911 7.141 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.853 6.842 -11.414 1.00 0.00 H new ATOM 617 N ALA A 41 1.861 8.440 -9.298 1.00 0.00 N ATOM 618 CA ALA A 41 2.974 8.967 -8.439 1.00 0.00 C ATOM 619 C ALA A 41 2.528 9.004 -6.974 1.00 0.00 C ATOM 620 O ALA A 41 3.157 8.426 -6.110 1.00 0.00 O ATOM 621 CB ALA A 41 3.327 10.385 -8.895 1.00 0.00 C ATOM 0 H ALA A 41 1.033 9.034 -9.336 1.00 0.00 H new ATOM 0 HA ALA A 41 3.844 8.317 -8.533 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.135 10.776 -8.276 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.646 10.363 -9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.452 11.027 -8.797 1.00 0.00 H new ATOM 627 N GLY A 42 1.450 9.682 -6.685 1.00 0.00 N ATOM 628 CA GLY A 42 0.969 9.756 -5.273 1.00 0.00 C ATOM 629 C GLY A 42 0.370 8.407 -4.870 1.00 0.00 C ATOM 630 O GLY A 42 -0.617 8.339 -4.165 1.00 0.00 O ATOM 0 H GLY A 42 0.881 10.188 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.794 10.013 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.222 10.543 -5.172 1.00 0.00 H new ATOM 634 N MET A 43 0.951 7.334 -5.328 1.00 0.00 N ATOM 635 CA MET A 43 0.411 5.986 -4.992 1.00 0.00 C ATOM 636 C MET A 43 0.449 5.760 -3.478 1.00 0.00 C ATOM 637 O MET A 43 -0.462 5.197 -2.905 1.00 0.00 O ATOM 638 CB MET A 43 1.273 4.921 -5.671 1.00 0.00 C ATOM 639 CG MET A 43 1.237 5.131 -7.181 1.00 0.00 C ATOM 640 SD MET A 43 1.982 3.707 -8.015 1.00 0.00 S ATOM 641 CE MET A 43 3.617 3.820 -7.253 1.00 0.00 C ATOM 0 H MET A 43 1.780 7.332 -5.923 1.00 0.00 H new ATOM 0 HA MET A 43 -0.620 5.921 -5.338 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.299 4.982 -5.308 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.905 3.926 -5.422 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.208 5.262 -7.515 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.776 6.041 -7.444 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.368 3.436 -7.944 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.838 4.861 -7.019 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.632 3.231 -6.336 1.00 0.00 H new ATOM 651 N TYR A 44 1.503 6.173 -2.830 1.00 0.00 N ATOM 652 CA TYR A 44 1.609 5.958 -1.358 1.00 0.00 C ATOM 653 C TYR A 44 0.458 6.656 -0.628 1.00 0.00 C ATOM 654 O TYR A 44 -0.210 6.067 0.198 1.00 0.00 O ATOM 655 CB TYR A 44 2.942 6.515 -0.859 1.00 0.00 C ATOM 656 CG TYR A 44 4.070 5.677 -1.412 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.652 6.013 -2.641 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.534 4.565 -0.699 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.697 5.237 -3.156 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.578 3.788 -1.215 1.00 0.00 C ATOM 661 CZ TYR A 44 6.160 4.124 -2.444 1.00 0.00 C ATOM 662 OH TYR A 44 7.189 3.359 -2.953 1.00 0.00 O ATOM 0 H TYR A 44 2.297 6.651 -3.256 1.00 0.00 H new ATOM 0 HA TYR A 44 1.554 4.889 -1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.056 7.553 -1.173 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.968 6.507 0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.294 6.871 -3.191 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.086 4.307 0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.146 5.497 -4.103 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.935 2.929 -0.665 1.00 0.00 H new ATOM 0 HH TYR A 44 8.025 3.869 -2.917 1.00 0.00 H new ATOM 672 N CYS A 45 0.224 7.907 -0.913 1.00 0.00 N ATOM 673 CA CYS A 45 -0.880 8.630 -0.220 1.00 0.00 C ATOM 674 C CYS A 45 -2.229 8.042 -0.641 1.00 0.00 C ATOM 675 O CYS A 45 -3.057 7.715 0.185 1.00 0.00 O ATOM 676 CB CYS A 45 -0.823 10.116 -0.581 1.00 0.00 C ATOM 677 SG CYS A 45 0.639 10.867 0.183 1.00 0.00 S ATOM 0 H CYS A 45 0.747 8.459 -1.593 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.766 8.517 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.784 10.237 -1.664 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.726 10.620 -0.237 1.00 0.00 H new ATOM 682 N ALA A 46 -2.458 7.904 -1.918 1.00 0.00 N ATOM 683 CA ALA A 46 -3.754 7.335 -2.389 1.00 0.00 C ATOM 684 C ALA A 46 -3.924 5.918 -1.828 1.00 0.00 C ATOM 685 O ALA A 46 -4.972 5.549 -1.333 1.00 0.00 O ATOM 686 CB ALA A 46 -3.750 7.280 -3.918 1.00 0.00 C ATOM 0 H ALA A 46 -1.803 8.161 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.577 7.961 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.695 6.865 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.624 8.286 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.928 6.650 -4.257 1.00 0.00 H new ATOM 692 N ALA A 47 -2.902 5.118 -1.904 1.00 0.00 N ATOM 693 CA ALA A 47 -3.003 3.731 -1.376 1.00 0.00 C ATOM 694 C ALA A 47 -3.271 3.769 0.133 1.00 0.00 C ATOM 695 O ALA A 47 -4.019 2.970 0.662 1.00 0.00 O ATOM 696 CB ALA A 47 -1.691 2.989 -1.638 1.00 0.00 C ATOM 0 H ALA A 47 -1.999 5.364 -2.309 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.823 3.215 -1.876 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.764 1.973 -1.251 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.499 2.956 -2.711 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.873 3.509 -1.139 1.00 0.00 H new ATOM 702 N LEU A 48 -2.641 4.677 0.830 1.00 0.00 N ATOM 703 CA LEU A 48 -2.827 4.757 2.309 1.00 0.00 C ATOM 704 C LEU A 48 -4.295 5.014 2.667 1.00 0.00 C ATOM 705 O LEU A 48 -4.859 4.331 3.495 1.00 0.00 O ATOM 706 CB LEU A 48 -1.961 5.902 2.854 1.00 0.00 C ATOM 707 CG LEU A 48 -2.127 6.040 4.377 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.690 4.747 5.083 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.263 7.209 4.864 1.00 0.00 C ATOM 0 H LEU A 48 -2.003 5.369 0.437 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.530 3.807 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.914 5.717 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.240 6.837 2.368 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.175 6.225 4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.814 4.861 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.303 3.916 4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.643 4.545 4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.372 7.317 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.218 7.014 4.623 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.584 8.128 4.373 1.00 0.00 H new ATOM 721 N GLU A 49 -4.923 5.990 2.067 1.00 0.00 N ATOM 722 CA GLU A 49 -6.347 6.268 2.419 1.00 0.00 C ATOM 723 C GLU A 49 -7.206 5.034 2.147 1.00 0.00 C ATOM 724 O GLU A 49 -8.102 4.718 2.904 1.00 0.00 O ATOM 725 CB GLU A 49 -6.874 7.461 1.616 1.00 0.00 C ATOM 726 CG GLU A 49 -6.502 7.304 0.145 1.00 0.00 C ATOM 727 CD GLU A 49 -7.136 8.435 -0.666 1.00 0.00 C ATOM 728 OE1 GLU A 49 -8.345 8.416 -0.828 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.401 9.302 -1.112 1.00 0.00 O ATOM 0 H GLU A 49 -4.518 6.600 1.357 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.401 6.511 3.480 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.957 7.531 1.721 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.456 8.388 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.418 7.323 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.846 6.339 -0.227 1.00 0.00 H new ATOM 736 N SER A 50 -6.952 4.327 1.082 1.00 0.00 N ATOM 737 CA SER A 50 -7.776 3.118 0.801 1.00 0.00 C ATOM 738 C SER A 50 -7.588 2.097 1.932 1.00 0.00 C ATOM 739 O SER A 50 -8.525 1.452 2.359 1.00 0.00 O ATOM 740 CB SER A 50 -7.349 2.497 -0.530 1.00 0.00 C ATOM 741 OG SER A 50 -7.575 3.432 -1.577 1.00 0.00 O ATOM 0 H SER A 50 -6.220 4.530 0.402 1.00 0.00 H new ATOM 0 HA SER A 50 -8.826 3.404 0.740 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.295 2.221 -0.494 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.912 1.582 -0.715 1.00 0.00 H new ATOM 0 HG SER A 50 -8.031 2.986 -2.321 1.00 0.00 H new ATOM 747 N LEU A 51 -6.383 1.944 2.419 1.00 0.00 N ATOM 748 CA LEU A 51 -6.138 0.964 3.521 1.00 0.00 C ATOM 749 C LEU A 51 -6.803 1.460 4.809 1.00 0.00 C ATOM 750 O LEU A 51 -7.278 0.683 5.613 1.00 0.00 O ATOM 751 CB LEU A 51 -4.630 0.815 3.756 1.00 0.00 C ATOM 752 CG LEU A 51 -3.958 0.184 2.525 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.437 0.205 2.716 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.433 -1.272 2.341 1.00 0.00 C ATOM 0 H LEU A 51 -5.559 2.454 2.102 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.560 -0.001 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.189 1.791 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.451 0.195 4.634 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.230 0.756 1.638 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.955 -0.241 1.846 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.099 1.235 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.174 -0.364 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.949 -1.705 1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.173 -1.854 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.514 -1.287 2.202 1.00 0.00 H new ATOM 766 N ILE A 52 -6.841 2.750 5.010 1.00 0.00 N ATOM 767 CA ILE A 52 -7.474 3.299 6.245 1.00 0.00 C ATOM 768 C ILE A 52 -8.912 2.773 6.358 1.00 0.00 C ATOM 769 O ILE A 52 -9.492 2.762 7.426 1.00 0.00 O ATOM 770 CB ILE A 52 -7.476 4.840 6.176 1.00 0.00 C ATOM 771 CG1 ILE A 52 -6.052 5.394 6.396 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.423 5.426 7.227 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.486 4.985 7.768 1.00 0.00 C ATOM 0 H ILE A 52 -6.461 3.449 4.372 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.910 2.982 7.122 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.822 5.132 5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.394 5.029 5.608 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.069 6.481 6.319 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.410 6.514 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.435 5.064 7.047 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -8.099 5.118 8.221 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.483 5.394 7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.130 5.373 8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.444 3.898 7.835 1.00 0.00 H new ATOM 785 N ASN A 53 -9.493 2.343 5.271 1.00 0.00 N ATOM 786 CA ASN A 53 -10.894 1.828 5.329 1.00 0.00 C ATOM 787 C ASN A 53 -10.896 0.368 5.789 1.00 0.00 C ATOM 788 O ASN A 53 -11.934 -0.202 6.060 1.00 0.00 O ATOM 789 CB ASN A 53 -11.530 1.917 3.940 1.00 0.00 C ATOM 790 CG ASN A 53 -11.836 3.378 3.614 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.543 3.847 2.532 1.00 0.00 O ATOM 792 ND2 ASN A 53 -12.420 4.120 4.513 1.00 0.00 N ATOM 0 H ASN A 53 -9.061 2.325 4.347 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.464 2.431 6.036 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.856 1.500 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.446 1.327 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.632 5.097 4.309 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -12.665 3.724 5.420 1.00 0.00 H new ATOM 799 N VAL A 54 -9.746 -0.246 5.881 1.00 0.00 N ATOM 800 CA VAL A 54 -9.694 -1.672 6.325 1.00 0.00 C ATOM 801 C VAL A 54 -9.590 -1.733 7.850 1.00 0.00 C ATOM 802 O VAL A 54 -8.697 -1.160 8.443 1.00 0.00 O ATOM 803 CB VAL A 54 -8.474 -2.356 5.712 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.449 -3.825 6.139 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.553 -2.267 4.187 1.00 0.00 C ATOM 0 H VAL A 54 -8.842 0.176 5.669 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.601 -2.181 6.000 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.566 -1.862 6.057 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.579 -4.316 5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.394 -3.887 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.356 -4.320 5.793 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.683 -2.755 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.460 -2.762 3.840 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.573 -1.220 3.884 1.00 0.00 H new ATOM 815 N SER A 55 -10.499 -2.429 8.486 1.00 0.00 N ATOM 816 CA SER A 55 -10.475 -2.548 9.979 1.00 0.00 C ATOM 817 C SER A 55 -10.531 -4.027 10.365 1.00 0.00 C ATOM 818 O SER A 55 -11.181 -4.823 9.717 1.00 0.00 O ATOM 819 CB SER A 55 -11.689 -1.825 10.564 1.00 0.00 C ATOM 820 OG SER A 55 -11.618 -0.445 10.231 1.00 0.00 O ATOM 0 H SER A 55 -11.265 -2.925 8.031 1.00 0.00 H new ATOM 0 HA SER A 55 -9.561 -2.100 10.370 1.00 0.00 H new ATOM 0 HB2 SER A 55 -12.609 -2.259 10.172 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.714 -1.949 11.647 1.00 0.00 H new ATOM 0 HG SER A 55 -12.395 0.022 10.603 1.00 0.00 H new ATOM 826 N GLY A 56 -9.850 -4.403 11.417 1.00 0.00 N ATOM 827 CA GLY A 56 -9.860 -5.834 11.848 1.00 0.00 C ATOM 828 C GLY A 56 -8.723 -6.593 11.157 1.00 0.00 C ATOM 829 O GLY A 56 -8.831 -7.772 10.885 1.00 0.00 O ATOM 0 H GLY A 56 -9.287 -3.781 11.997 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.747 -5.898 12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.818 -6.291 11.600 1.00 0.00 H new ATOM 833 N CYS A 57 -7.629 -5.931 10.871 1.00 0.00 N ATOM 834 CA CYS A 57 -6.483 -6.622 10.199 1.00 0.00 C ATOM 835 C CYS A 57 -5.157 -6.061 10.730 1.00 0.00 C ATOM 836 O CYS A 57 -4.657 -5.061 10.253 1.00 0.00 O ATOM 837 CB CYS A 57 -6.564 -6.397 8.687 1.00 0.00 C ATOM 838 SG CYS A 57 -8.069 -7.171 8.042 1.00 0.00 S ATOM 0 H CYS A 57 -7.479 -4.943 11.073 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.533 -7.690 10.411 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.568 -5.329 8.467 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.686 -6.820 8.198 1.00 0.00 H new ATOM 843 N SER A 58 -4.588 -6.705 11.714 1.00 0.00 N ATOM 844 CA SER A 58 -3.294 -6.227 12.289 1.00 0.00 C ATOM 845 C SER A 58 -2.164 -6.439 11.278 1.00 0.00 C ATOM 846 O SER A 58 -1.250 -5.645 11.169 1.00 0.00 O ATOM 847 CB SER A 58 -2.984 -7.021 13.558 1.00 0.00 C ATOM 848 OG SER A 58 -1.711 -6.631 14.056 1.00 0.00 O ATOM 0 H SER A 58 -4.966 -7.547 12.148 1.00 0.00 H new ATOM 0 HA SER A 58 -3.375 -5.165 12.522 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.752 -6.841 14.310 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.992 -8.090 13.343 1.00 0.00 H new ATOM 0 HG SER A 58 -1.509 -7.137 14.871 1.00 0.00 H new ATOM 854 N ALA A 59 -2.215 -7.522 10.561 1.00 0.00 N ATOM 855 CA ALA A 59 -1.148 -7.837 9.569 1.00 0.00 C ATOM 856 C ALA A 59 -0.816 -6.625 8.689 1.00 0.00 C ATOM 857 O ALA A 59 0.299 -6.488 8.227 1.00 0.00 O ATOM 858 CB ALA A 59 -1.627 -8.982 8.677 1.00 0.00 C ATOM 0 H ALA A 59 -2.961 -8.215 10.619 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.247 -8.117 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.854 -9.222 7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.832 -9.860 9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.537 -8.682 8.157 1.00 0.00 H new ATOM 864 N ILE A 60 -1.767 -5.761 8.422 1.00 0.00 N ATOM 865 CA ILE A 60 -1.484 -4.583 7.533 1.00 0.00 C ATOM 866 C ILE A 60 -1.251 -3.303 8.343 1.00 0.00 C ATOM 867 O ILE A 60 -0.862 -2.291 7.797 1.00 0.00 O ATOM 868 CB ILE A 60 -2.664 -4.385 6.575 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.956 -4.124 7.363 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.834 -5.642 5.719 1.00 0.00 C ATOM 871 CD1 ILE A 60 -5.062 -3.699 6.395 1.00 0.00 C ATOM 0 H ILE A 60 -2.721 -5.818 8.777 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.572 -4.787 6.973 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.463 -3.524 5.937 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.255 -5.023 7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.790 -3.346 8.108 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.672 -5.506 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.924 -5.818 5.146 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.027 -6.499 6.365 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.981 -3.513 6.951 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.761 -2.789 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.233 -4.492 5.667 1.00 0.00 H new ATOM 883 N GLU A 61 -1.466 -3.319 9.629 1.00 0.00 N ATOM 884 CA GLU A 61 -1.224 -2.071 10.409 1.00 0.00 C ATOM 885 C GLU A 61 0.242 -1.667 10.259 1.00 0.00 C ATOM 886 O GLU A 61 0.560 -0.506 10.086 1.00 0.00 O ATOM 887 CB GLU A 61 -1.554 -2.293 11.886 1.00 0.00 C ATOM 888 CG GLU A 61 -3.069 -2.414 12.051 1.00 0.00 C ATOM 889 CD GLU A 61 -3.400 -2.767 13.502 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.474 -2.876 14.290 1.00 0.00 O ATOM 891 OE2 GLU A 61 -4.572 -2.918 13.802 1.00 0.00 O ATOM 0 H GLU A 61 -1.792 -4.123 10.166 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.867 -1.278 10.028 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.064 -3.196 12.249 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.176 -1.463 12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.551 -1.476 11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -3.458 -3.181 11.382 1.00 0.00 H new ATOM 898 N LYS A 62 1.140 -2.614 10.304 1.00 0.00 N ATOM 899 CA LYS A 62 2.579 -2.272 10.142 1.00 0.00 C ATOM 900 C LYS A 62 2.781 -1.653 8.761 1.00 0.00 C ATOM 901 O LYS A 62 3.514 -0.702 8.589 1.00 0.00 O ATOM 902 CB LYS A 62 3.423 -3.540 10.259 1.00 0.00 C ATOM 903 CG LYS A 62 3.395 -4.028 11.706 1.00 0.00 C ATOM 904 CD LYS A 62 4.032 -5.421 11.801 1.00 0.00 C ATOM 905 CE LYS A 62 5.551 -5.331 11.594 1.00 0.00 C ATOM 906 NZ LYS A 62 5.856 -5.231 10.138 1.00 0.00 N ATOM 0 H LYS A 62 0.939 -3.604 10.445 1.00 0.00 H new ATOM 0 HA LYS A 62 2.883 -1.567 10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.036 -4.312 9.594 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.449 -3.339 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.933 -3.328 12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.367 -4.063 12.067 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.817 -5.860 12.775 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.595 -6.080 11.051 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.948 -4.462 12.119 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.038 -6.209 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.629 -5.885 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.009 -5.480 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.143 -4.258 9.909 1.00 0.00 H new ATOM 920 N THR A 63 2.122 -2.188 7.775 1.00 0.00 N ATOM 921 CA THR A 63 2.253 -1.635 6.403 1.00 0.00 C ATOM 922 C THR A 63 1.783 -0.178 6.394 1.00 0.00 C ATOM 923 O THR A 63 2.352 0.664 5.734 1.00 0.00 O ATOM 924 CB THR A 63 1.399 -2.458 5.434 1.00 0.00 C ATOM 925 OG1 THR A 63 1.845 -3.808 5.446 1.00 0.00 O ATOM 926 CG2 THR A 63 1.535 -1.888 4.020 1.00 0.00 C ATOM 0 H THR A 63 1.495 -2.988 7.861 1.00 0.00 H new ATOM 0 HA THR A 63 3.296 -1.681 6.091 1.00 0.00 H new ATOM 0 HB THR A 63 0.354 -2.415 5.742 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.300 -4.338 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.927 -2.474 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.196 -0.852 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.579 -1.931 3.709 1.00 0.00 H new ATOM 934 N GLN A 64 0.727 0.116 7.102 1.00 0.00 N ATOM 935 CA GLN A 64 0.188 1.507 7.110 1.00 0.00 C ATOM 936 C GLN A 64 1.227 2.509 7.630 1.00 0.00 C ATOM 937 O GLN A 64 1.389 3.573 7.068 1.00 0.00 O ATOM 938 CB GLN A 64 -1.058 1.556 7.997 1.00 0.00 C ATOM 939 CG GLN A 64 -2.196 0.794 7.313 1.00 0.00 C ATOM 940 CD GLN A 64 -3.373 0.649 8.280 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.207 0.747 9.480 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.567 0.417 7.804 1.00 0.00 N ATOM 0 H GLN A 64 0.212 -0.550 7.678 1.00 0.00 H new ATOM 0 HA GLN A 64 -0.063 1.784 6.086 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.843 1.115 8.970 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.352 2.591 8.174 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.514 1.324 6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.849 -0.190 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.707 0.335 6.797 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.359 0.318 8.439 1.00 0.00 H new ATOM 951 N ARG A 65 1.928 2.207 8.688 1.00 0.00 N ATOM 952 CA ARG A 65 2.929 3.196 9.188 1.00 0.00 C ATOM 953 C ARG A 65 4.072 3.341 8.178 1.00 0.00 C ATOM 954 O ARG A 65 4.541 4.430 7.918 1.00 0.00 O ATOM 955 CB ARG A 65 3.487 2.757 10.545 1.00 0.00 C ATOM 956 CG ARG A 65 3.842 1.273 10.510 1.00 0.00 C ATOM 957 CD ARG A 65 4.493 0.877 11.835 1.00 0.00 C ATOM 958 NE ARG A 65 5.879 1.419 11.881 1.00 0.00 N ATOM 959 CZ ARG A 65 6.519 1.480 13.015 1.00 0.00 C ATOM 960 NH1 ARG A 65 5.942 1.075 14.112 1.00 0.00 N ATOM 961 NH2 ARG A 65 7.736 1.948 13.050 1.00 0.00 N ATOM 0 H ARG A 65 1.856 1.339 9.219 1.00 0.00 H new ATOM 0 HA ARG A 65 2.433 4.159 9.310 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.371 3.345 10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.752 2.945 11.327 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.945 0.677 10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.522 1.070 9.683 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.910 1.265 12.670 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.511 -0.208 11.935 1.00 0.00 H new ATOM 0 HE ARG A 65 6.328 1.743 11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.990 0.710 14.083 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.443 1.123 14.999 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.185 2.265 12.191 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.238 1.997 13.936 1.00 0.00 H new ATOM 975 N MET A 66 4.528 2.261 7.601 1.00 0.00 N ATOM 976 CA MET A 66 5.637 2.370 6.610 1.00 0.00 C ATOM 977 C MET A 66 5.166 3.189 5.403 1.00 0.00 C ATOM 978 O MET A 66 5.892 4.010 4.880 1.00 0.00 O ATOM 979 CB MET A 66 6.076 0.974 6.162 1.00 0.00 C ATOM 980 CG MET A 66 6.789 0.272 7.323 1.00 0.00 C ATOM 981 SD MET A 66 7.518 -1.281 6.745 1.00 0.00 S ATOM 982 CE MET A 66 5.975 -2.190 6.487 1.00 0.00 C ATOM 0 H MET A 66 4.184 1.316 7.771 1.00 0.00 H new ATOM 0 HA MET A 66 6.487 2.872 7.072 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.210 0.392 5.846 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.742 1.048 5.302 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.566 0.920 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.083 0.075 8.130 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.201 -3.220 6.209 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.390 -2.182 7.407 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.403 -1.717 5.689 1.00 0.00 H new ATOM 992 N LEU A 67 3.950 2.989 4.969 1.00 0.00 N ATOM 993 CA LEU A 67 3.435 3.778 3.813 1.00 0.00 C ATOM 994 C LEU A 67 3.470 5.261 4.173 1.00 0.00 C ATOM 995 O LEU A 67 3.807 6.100 3.361 1.00 0.00 O ATOM 996 CB LEU A 67 1.996 3.363 3.488 1.00 0.00 C ATOM 997 CG LEU A 67 1.968 1.948 2.890 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.517 1.463 2.834 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.561 1.953 1.465 1.00 0.00 C ATOM 0 H LEU A 67 3.293 2.316 5.364 1.00 0.00 H new ATOM 0 HA LEU A 67 4.059 3.590 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.389 3.394 4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.557 4.071 2.785 1.00 0.00 H new ATOM 0 HG LEU A 67 2.565 1.283 3.514 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.485 0.459 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.100 1.446 3.841 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.069 2.138 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.534 0.943 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.976 2.618 0.830 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.593 2.302 1.502 1.00 0.00 H new ATOM 1011 N SER A 68 3.123 5.592 5.386 1.00 0.00 N ATOM 1012 CA SER A 68 3.136 7.021 5.798 1.00 0.00 C ATOM 1013 C SER A 68 4.530 7.597 5.552 1.00 0.00 C ATOM 1014 O SER A 68 4.682 8.750 5.197 1.00 0.00 O ATOM 1015 CB SER A 68 2.789 7.135 7.283 1.00 0.00 C ATOM 1016 OG SER A 68 1.448 6.709 7.485 1.00 0.00 O ATOM 0 H SER A 68 2.831 4.934 6.109 1.00 0.00 H new ATOM 0 HA SER A 68 2.399 7.576 5.217 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.470 6.524 7.876 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.910 8.165 7.619 1.00 0.00 H new ATOM 0 HG SER A 68 1.391 5.738 7.362 1.00 0.00 H new ATOM 1022 N GLY A 69 5.552 6.805 5.732 1.00 0.00 N ATOM 1023 CA GLY A 69 6.934 7.313 5.500 1.00 0.00 C ATOM 1024 C GLY A 69 6.995 7.998 4.132 1.00 0.00 C ATOM 1025 O GLY A 69 7.723 8.951 3.937 1.00 0.00 O ATOM 0 H GLY A 69 5.490 5.831 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.212 8.016 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.648 6.491 5.541 1.00 0.00 H new ATOM 1029 N PHE A 70 6.226 7.525 3.183 1.00 0.00 N ATOM 1030 CA PHE A 70 6.226 8.153 1.825 1.00 0.00 C ATOM 1031 C PHE A 70 5.052 9.134 1.723 1.00 0.00 C ATOM 1032 O PHE A 70 4.869 9.797 0.721 1.00 0.00 O ATOM 1033 CB PHE A 70 6.069 7.067 0.756 1.00 0.00 C ATOM 1034 CG PHE A 70 7.277 6.159 0.768 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.402 6.476 -0.004 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.269 4.993 1.544 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.517 5.631 0.001 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.386 4.148 1.549 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.509 4.467 0.777 1.00 0.00 C ATOM 0 H PHE A 70 5.597 6.729 3.290 1.00 0.00 H new ATOM 0 HA PHE A 70 7.166 8.682 1.670 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.165 6.487 0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 70 5.956 7.525 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.409 7.374 -0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.402 4.746 2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.384 5.877 -0.594 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.381 3.250 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.370 3.814 0.780 1.00 0.00 H new ATOM 1049 N CYS A 71 4.256 9.229 2.760 1.00 0.00 N ATOM 1050 CA CYS A 71 3.083 10.163 2.748 1.00 0.00 C ATOM 1051 C CYS A 71 3.008 10.880 4.108 1.00 0.00 C ATOM 1052 O CYS A 71 2.305 10.441 4.996 1.00 0.00 O ATOM 1053 CB CYS A 71 1.800 9.357 2.537 1.00 0.00 C ATOM 1054 SG CYS A 71 0.439 10.486 2.159 1.00 0.00 S ATOM 0 H CYS A 71 4.368 8.696 3.622 1.00 0.00 H new ATOM 0 HA CYS A 71 3.195 10.892 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.934 8.645 1.722 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.570 8.778 3.431 1.00 0.00 H new ATOM 1059 N PRO A 72 3.742 11.958 4.292 1.00 0.00 N ATOM 1060 CA PRO A 72 3.738 12.682 5.600 1.00 0.00 C ATOM 1061 C PRO A 72 2.335 13.095 6.079 1.00 0.00 C ATOM 1062 O PRO A 72 2.132 13.341 7.251 1.00 0.00 O ATOM 1063 CB PRO A 72 4.621 13.908 5.299 1.00 0.00 C ATOM 1064 CG PRO A 72 5.379 13.633 3.990 1.00 0.00 C ATOM 1065 CD PRO A 72 4.620 12.534 3.231 1.00 0.00 C ATOM 0 HA PRO A 72 4.100 12.058 6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.009 14.805 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.321 14.084 6.116 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.443 14.539 3.388 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.401 13.317 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.041 12.939 2.401 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.296 11.788 2.814 1.00 0.00 H new ATOM 1073 N HIS A 73 1.366 13.177 5.200 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.007 13.579 5.648 1.00 0.00 C ATOM 1075 C HIS A 73 -0.822 12.324 5.992 1.00 0.00 C ATOM 1076 O HIS A 73 -1.200 11.552 5.133 1.00 0.00 O ATOM 1077 CB HIS A 73 -0.696 14.408 4.541 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.270 13.521 3.464 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -2.515 12.922 3.586 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -0.792 13.140 2.235 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -2.740 12.222 2.459 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -1.722 12.321 1.602 1.00 0.00 N ATOM 0 H HIS A 73 1.462 12.986 4.203 1.00 0.00 H new ATOM 0 HA HIS A 73 0.062 14.199 6.542 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.491 15.012 4.978 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.023 15.098 4.101 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -3.145 12.998 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.162 13.432 1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.636 11.649 2.271 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.083 12.110 7.256 1.00 0.00 N ATOM 1091 CA LYS A 74 -1.862 10.907 7.666 1.00 0.00 C ATOM 1092 C LYS A 74 -3.342 11.131 7.361 1.00 0.00 C ATOM 1093 O LYS A 74 -3.861 12.218 7.524 1.00 0.00 O ATOM 1094 CB LYS A 74 -1.683 10.665 9.167 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.228 10.290 9.454 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.047 10.048 10.954 1.00 0.00 C ATOM 1097 CE LYS A 74 1.412 9.683 11.239 1.00 0.00 C ATOM 1098 NZ LYS A 74 1.759 8.414 10.539 1.00 0.00 N ATOM 0 H LYS A 74 -0.790 12.718 8.021 1.00 0.00 H new ATOM 0 HA LYS A 74 -1.503 10.039 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.956 11.560 9.725 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.347 9.867 9.499 1.00 0.00 H new ATOM 0 HG2 LYS A 74 0.044 9.395 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.436 11.088 9.121 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.326 10.941 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.705 9.245 11.286 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.070 10.485 10.905 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.566 9.571 12.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 2.609 8.000 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.968 7.744 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.943 8.611 9.534 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.025 10.105 6.918 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.480 10.233 6.592 1.00 0.00 C ATOM 1114 C VAL A 75 -6.300 9.458 7.628 1.00 0.00 C ATOM 1115 O VAL A 75 -6.023 8.311 7.919 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.729 9.649 5.203 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -7.194 9.851 4.827 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -4.835 10.359 4.184 1.00 0.00 C ATOM 0 H VAL A 75 -3.633 9.175 6.767 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.775 11.282 6.609 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.497 8.584 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.376 9.435 3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.829 9.346 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.425 10.916 4.822 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.012 9.943 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.066 11.424 4.177 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -3.789 10.216 4.456 1.00 0.00 H new ATOM 1128 N SER A 76 -7.304 10.077 8.198 1.00 0.00 N ATOM 1129 CA SER A 76 -8.138 9.379 9.226 1.00 0.00 C ATOM 1130 C SER A 76 -9.369 8.750 8.564 1.00 0.00 C ATOM 1131 O SER A 76 -9.667 9.001 7.413 1.00 0.00 O ATOM 1132 CB SER A 76 -8.590 10.389 10.280 1.00 0.00 C ATOM 1133 OG SER A 76 -9.452 11.345 9.676 1.00 0.00 O ATOM 0 H SER A 76 -7.583 11.037 7.996 1.00 0.00 H new ATOM 0 HA SER A 76 -7.545 8.594 9.696 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.107 9.878 11.092 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.725 10.887 10.717 1.00 0.00 H new ATOM 0 HG SER A 76 -9.745 11.993 10.350 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.080 7.925 9.287 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.289 7.263 8.714 1.00 0.00 C ATOM 1141 C ALA A 77 -12.340 8.308 8.334 1.00 0.00 C ATOM 1142 O ALA A 77 -13.250 8.030 7.582 1.00 0.00 O ATOM 1143 CB ALA A 77 -11.880 6.302 9.748 1.00 0.00 C ATOM 0 H ALA A 77 -9.874 7.680 10.255 1.00 0.00 H new ATOM 0 HA ALA A 77 -10.999 6.713 7.819 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.763 5.818 9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.139 5.546 10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.159 6.858 10.643 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.234 9.504 8.848 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.243 10.555 8.510 1.00 0.00 C ATOM 1151 C GLY A 78 -12.738 11.397 7.338 1.00 0.00 C ATOM 1152 O GLY A 78 -13.505 11.865 6.521 1.00 0.00 O ATOM 0 H GLY A 78 -11.495 9.800 9.486 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.195 10.090 8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.423 11.191 9.376 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.451 11.601 7.251 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.894 12.420 6.134 1.00 0.00 C ATOM 1158 C GLN A 79 -10.490 11.515 4.968 1.00 0.00 C ATOM 1159 O GLN A 79 -9.739 10.577 5.133 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.661 13.174 6.630 1.00 0.00 C ATOM 1161 CG GLN A 79 -10.053 14.090 7.791 1.00 0.00 C ATOM 1162 CD GLN A 79 -10.996 15.181 7.285 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.806 15.716 6.211 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -12.019 15.530 8.015 1.00 0.00 N ATOM 0 H GLN A 79 -10.760 11.236 7.906 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.654 13.124 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.896 12.468 6.953 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.231 13.762 5.819 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.538 13.511 8.577 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.162 14.539 8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.179 15.081 8.917 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.659 16.252 7.684 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.973 11.804 3.786 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.612 10.989 2.580 1.00 0.00 C ATOM 1175 C PHE A 80 -10.172 11.943 1.473 1.00 0.00 C ATOM 1176 O PHE A 80 -10.607 13.076 1.426 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.820 10.184 2.110 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.152 9.132 3.141 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.371 7.973 3.238 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.246 9.314 3.994 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -11.686 6.997 4.192 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.561 8.338 4.945 1.00 0.00 C ATOM 1183 CZ PHE A 80 -12.782 7.179 5.045 1.00 0.00 C ATOM 0 H PHE A 80 -11.610 12.579 3.601 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.808 10.296 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.674 10.844 1.959 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.607 9.714 1.150 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.528 7.832 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.847 10.208 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.084 6.104 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.406 8.479 5.603 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.026 6.426 5.779 1.00 0.00 H new ATOM 1193 N SER A 81 -9.295 11.509 0.596 1.00 0.00 N ATOM 1194 CA SER A 81 -8.809 12.410 -0.504 1.00 0.00 C ATOM 1195 C SER A 81 -9.090 11.803 -1.884 1.00 0.00 C ATOM 1196 O SER A 81 -9.578 12.473 -2.772 1.00 0.00 O ATOM 1197 CB SER A 81 -7.301 12.608 -0.348 1.00 0.00 C ATOM 1198 OG SER A 81 -7.052 13.438 0.778 1.00 0.00 O ATOM 0 H SER A 81 -8.894 10.571 0.593 1.00 0.00 H new ATOM 0 HA SER A 81 -9.336 13.361 -0.432 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.807 11.645 -0.221 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.887 13.062 -1.248 1.00 0.00 H new ATOM 0 HG SER A 81 -6.086 13.566 0.883 1.00 0.00 H new ATOM 1204 N SER A 82 -8.751 10.557 -2.092 1.00 0.00 N ATOM 1205 CA SER A 82 -8.963 9.937 -3.441 1.00 0.00 C ATOM 1206 C SER A 82 -10.296 9.189 -3.523 1.00 0.00 C ATOM 1207 O SER A 82 -10.628 8.631 -4.549 1.00 0.00 O ATOM 1208 CB SER A 82 -7.824 8.959 -3.724 1.00 0.00 C ATOM 1209 OG SER A 82 -7.811 8.642 -5.109 1.00 0.00 O ATOM 0 H SER A 82 -8.338 9.941 -1.391 1.00 0.00 H new ATOM 0 HA SER A 82 -8.981 10.738 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.871 9.398 -3.431 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.952 8.052 -3.133 1.00 0.00 H new ATOM 0 HG SER A 82 -8.732 8.585 -5.440 1.00 0.00 H new ATOM 1215 N LEU A 83 -11.069 9.160 -2.476 1.00 0.00 N ATOM 1216 CA LEU A 83 -12.370 8.429 -2.552 1.00 0.00 C ATOM 1217 C LEU A 83 -13.458 9.360 -3.106 1.00 0.00 C ATOM 1218 O LEU A 83 -14.635 9.135 -2.905 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.781 7.935 -1.161 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.652 7.117 -0.511 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -12.202 6.401 0.727 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -11.101 6.074 -1.494 1.00 0.00 C ATOM 0 H LEU A 83 -10.864 9.603 -1.580 1.00 0.00 H new ATOM 0 HA LEU A 83 -12.252 7.572 -3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -13.029 8.786 -0.527 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.680 7.323 -1.239 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.844 7.793 -0.231 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -11.407 5.819 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -12.577 7.138 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -13.014 5.736 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.304 5.507 -1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.901 5.396 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.707 6.578 -2.376 1.00 0.00 H new ATOM 1234 N HIS A 84 -13.079 10.400 -3.807 1.00 0.00 N ATOM 1235 CA HIS A 84 -14.106 11.330 -4.373 1.00 0.00 C ATOM 1236 C HIS A 84 -14.769 10.675 -5.583 1.00 0.00 C ATOM 1237 O HIS A 84 -15.961 10.786 -5.793 1.00 0.00 O ATOM 1238 CB HIS A 84 -13.437 12.627 -4.837 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.585 13.182 -3.735 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.683 12.730 -2.432 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.611 14.149 -3.727 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.789 13.415 -1.700 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -11.109 14.295 -2.440 1.00 0.00 N ATOM 0 H HIS A 84 -12.110 10.645 -4.011 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.846 11.548 -3.603 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.827 12.436 -5.720 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -14.195 13.355 -5.125 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.285 14.711 -4.590 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.638 13.271 -0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.379 14.935 -2.128 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.996 10.003 -6.386 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.554 9.342 -7.599 1.00 0.00 C ATOM 1253 C VAL A 85 -15.264 8.046 -7.205 1.00 0.00 C ATOM 1254 O VAL A 85 -14.922 7.413 -6.226 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.415 9.025 -8.567 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -13.992 8.639 -9.929 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.523 10.259 -8.722 1.00 0.00 C ATOM 0 H VAL A 85 -12.992 9.881 -6.254 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.270 10.010 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.826 8.195 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.178 8.413 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.628 7.761 -9.819 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.581 9.467 -10.322 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.709 10.036 -9.412 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.113 11.088 -9.113 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.110 10.534 -7.751 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.256 7.645 -7.959 1.00 0.00 N ATOM 1268 CA ARG A 86 -16.991 6.388 -7.625 1.00 0.00 C ATOM 1269 C ARG A 86 -16.321 5.207 -8.331 1.00 0.00 C ATOM 1270 O ARG A 86 -16.836 4.665 -9.289 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.443 6.501 -8.099 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.188 7.516 -7.229 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.651 7.592 -7.669 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.734 7.892 -9.140 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.213 8.973 -9.659 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -19.730 9.913 -8.893 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -20.223 9.136 -10.954 1.00 0.00 N ATOM 0 H ARG A 86 -16.588 8.133 -8.791 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.971 6.232 -6.546 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.472 6.811 -9.144 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -18.932 5.529 -8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -19.128 7.225 -6.180 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.720 8.497 -7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -21.153 6.649 -7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.169 8.366 -7.102 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.212 7.231 -9.753 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -19.757 9.808 -7.879 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -19.326 10.752 -9.309 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -20.636 8.422 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -19.818 9.977 -11.365 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.173 4.803 -7.857 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.458 3.655 -8.485 1.00 0.00 C ATOM 1293 C ASP A 87 -15.022 2.347 -7.925 1.00 0.00 C ATOM 1294 O ASP A 87 -15.867 2.350 -7.052 1.00 0.00 O ATOM 1295 CB ASP A 87 -12.965 3.751 -8.166 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.357 4.931 -8.928 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -12.956 5.352 -9.904 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.304 5.395 -8.522 1.00 0.00 O ATOM 0 H ASP A 87 -14.697 5.221 -7.057 1.00 0.00 H new ATOM 0 HA ASP A 87 -14.597 3.679 -9.566 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.819 3.882 -7.094 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.462 2.825 -8.446 1.00 0.00 H new ATOM 1303 N THR A 88 -14.571 1.225 -8.423 1.00 0.00 N ATOM 1304 CA THR A 88 -15.093 -0.083 -7.919 1.00 0.00 C ATOM 1305 C THR A 88 -14.182 -0.601 -6.803 1.00 0.00 C ATOM 1306 O THR A 88 -12.989 -0.370 -6.803 1.00 0.00 O ATOM 1307 CB THR A 88 -15.117 -1.094 -9.072 1.00 0.00 C ATOM 1308 OG1 THR A 88 -15.610 -0.459 -10.243 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.024 -2.272 -8.708 1.00 0.00 C ATOM 0 H THR A 88 -13.865 1.156 -9.156 1.00 0.00 H new ATOM 0 HA THR A 88 -16.102 0.051 -7.528 1.00 0.00 H new ATOM 0 HB THR A 88 -14.107 -1.462 -9.253 1.00 0.00 H new ATOM 0 HG1 THR A 88 -15.625 -1.102 -10.982 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.038 -2.988 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.645 -2.759 -7.809 1.00 0.00 H new ATOM 0 HG23 THR A 88 -17.036 -1.909 -8.525 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.737 -1.300 -5.847 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.904 -1.832 -4.728 1.00 0.00 C ATOM 1319 C LYS A 89 -13.318 -3.187 -5.134 1.00 0.00 C ATOM 1320 O LYS A 89 -13.898 -3.915 -5.915 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.770 -2.024 -3.482 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.357 -0.687 -3.028 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.215 -0.922 -1.781 1.00 0.00 C ATOM 1324 CE LYS A 89 -16.819 0.398 -1.299 1.00 0.00 C ATOM 1325 NZ LYS A 89 -17.982 0.114 -0.412 1.00 0.00 N ATOM 0 H LYS A 89 -15.730 -1.525 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.103 -1.125 -4.512 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.575 -2.728 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -14.173 -2.457 -2.680 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.558 0.021 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -15.960 -0.250 -3.824 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -17.010 -1.633 -2.006 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.608 -1.363 -0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -16.070 0.979 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -17.136 0.999 -2.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.395 1.010 -0.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -18.698 -0.424 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.666 -0.443 0.407 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.164 -3.525 -4.611 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.516 -4.831 -4.958 1.00 0.00 C ATOM 1341 C ILE A 90 -11.036 -5.526 -3.681 1.00 0.00 C ATOM 1342 O ILE A 90 -10.877 -4.909 -2.647 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.328 -4.569 -5.882 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.396 -3.540 -5.235 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.839 -4.030 -7.219 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.180 -3.317 -6.135 1.00 0.00 C ATOM 0 H ILE A 90 -11.639 -2.948 -3.954 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.237 -5.475 -5.462 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.780 -5.497 -6.049 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.926 -2.600 -5.081 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -9.076 -3.890 -4.253 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.995 -3.841 -7.882 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.503 -4.763 -7.677 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.384 -3.101 -7.052 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.516 -2.585 -5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.647 -4.259 -6.266 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.509 -2.949 -7.107 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.810 -6.811 -3.747 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.345 -7.556 -2.541 1.00 0.00 C ATOM 1360 C GLU A 91 -8.947 -7.073 -2.146 1.00 0.00 C ATOM 1361 O GLU A 91 -8.146 -6.709 -2.984 1.00 0.00 O ATOM 1362 CB GLU A 91 -10.297 -9.051 -2.857 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.722 -9.584 -3.004 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.677 -11.058 -3.412 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.584 -11.580 -3.554 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.738 -11.639 -3.573 1.00 0.00 O ATOM 0 H GLU A 91 -10.928 -7.378 -4.587 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.035 -7.378 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.736 -9.222 -3.776 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.777 -9.586 -2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.262 -9.472 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.263 -9.005 -3.753 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.651 -7.057 -0.875 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.308 -6.585 -0.426 1.00 0.00 C ATOM 1375 C VAL A 92 -6.195 -7.448 -1.044 1.00 0.00 C ATOM 1376 O VAL A 92 -5.157 -6.947 -1.427 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.228 -6.659 1.105 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.783 -6.418 1.570 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.141 -5.585 1.705 1.00 0.00 C ATOM 0 H VAL A 92 -9.280 -7.350 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.170 -5.555 -0.754 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.547 -7.647 1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.737 -6.473 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.131 -7.179 1.141 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.455 -5.432 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.090 -5.631 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.816 -4.601 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.168 -5.758 1.382 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.387 -8.737 -1.128 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.321 -9.613 -1.704 1.00 0.00 C ATOM 1391 C ALA A 93 -4.892 -9.095 -3.082 1.00 0.00 C ATOM 1392 O ALA A 93 -3.717 -9.036 -3.396 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.852 -11.040 -1.842 1.00 0.00 C ATOM 0 H ALA A 93 -7.232 -9.222 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.459 -9.602 -1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -5.075 -11.678 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -6.141 -11.417 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.720 -11.043 -2.502 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.829 -8.721 -3.908 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.467 -8.215 -5.264 1.00 0.00 C ATOM 1401 C GLN A 94 -4.885 -6.806 -5.132 1.00 0.00 C ATOM 1402 O GLN A 94 -4.003 -6.414 -5.870 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.721 -8.174 -6.140 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.203 -9.602 -6.416 1.00 0.00 C ATOM 1405 CD GLN A 94 -6.247 -10.291 -7.392 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -5.756 -11.369 -7.121 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -5.966 -9.714 -8.529 1.00 0.00 N ATOM 0 H GLN A 94 -6.828 -8.743 -3.705 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.729 -8.874 -5.722 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.506 -7.604 -5.642 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.504 -7.665 -7.079 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -7.254 -10.165 -5.484 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -8.210 -9.582 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.378 -8.809 -8.757 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -5.335 -10.168 -9.189 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.369 -6.049 -4.188 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.848 -4.667 -3.988 1.00 0.00 C ATOM 1418 C PHE A 95 -3.352 -4.721 -3.676 1.00 0.00 C ATOM 1419 O PHE A 95 -2.558 -4.008 -4.257 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.573 -4.032 -2.802 1.00 0.00 C ATOM 1421 CG PHE A 95 -5.027 -2.649 -2.547 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.922 -2.482 -1.704 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.624 -1.536 -3.148 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.413 -1.202 -1.463 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.115 -0.255 -2.906 1.00 0.00 C ATOM 1426 CZ PHE A 95 -4.010 -0.089 -2.064 1.00 0.00 C ATOM 0 H PHE A 95 -6.107 -6.329 -3.542 1.00 0.00 H new ATOM 0 HA PHE A 95 -5.013 -4.082 -4.893 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.643 -3.978 -3.005 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.448 -4.651 -1.914 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.462 -3.342 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.477 -1.665 -3.798 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.560 -1.073 -0.814 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.575 0.605 -3.369 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.618 0.900 -1.878 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.965 -5.553 -2.749 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.525 -5.645 -2.383 1.00 0.00 C ATOM 1438 C VAL A 96 -0.705 -6.090 -3.595 1.00 0.00 C ATOM 1439 O VAL A 96 0.332 -5.531 -3.892 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.348 -6.671 -1.262 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.137 -6.783 -0.898 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -2.150 -6.234 -0.034 1.00 0.00 C ATOM 0 H VAL A 96 -3.585 -6.174 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.182 -4.665 -2.050 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.710 -7.642 -1.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.262 -7.514 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.703 -7.102 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.503 -5.813 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.023 -6.966 0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.794 -5.262 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.206 -6.162 -0.296 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.151 -7.102 -4.287 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.380 -7.586 -5.466 1.00 0.00 C ATOM 1454 C LYS A 97 -0.281 -6.479 -6.522 1.00 0.00 C ATOM 1455 O LYS A 97 0.771 -6.239 -7.085 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.080 -8.810 -6.056 1.00 0.00 C ATOM 1457 CG LYS A 97 -0.990 -9.965 -5.055 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.685 -11.202 -5.625 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.591 -12.350 -4.619 1.00 0.00 C ATOM 1460 NZ LYS A 97 -0.183 -12.480 -4.147 1.00 0.00 N ATOM 0 H LYS A 97 -2.012 -7.612 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 97 0.628 -7.858 -5.153 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.123 -8.580 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.613 -9.092 -7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.054 -10.191 -4.840 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.455 -9.678 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.730 -10.978 -5.841 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.220 -11.491 -6.567 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.254 -12.163 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.919 -13.281 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.032 -13.435 -3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.466 -12.321 -4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.001 -11.775 -3.405 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.358 -5.791 -6.790 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.303 -4.698 -7.803 1.00 0.00 C ATOM 1476 C ASP A 98 -0.285 -3.654 -7.348 1.00 0.00 C ATOM 1477 O ASP A 98 0.494 -3.140 -8.125 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.681 -4.040 -7.919 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.660 -5.007 -8.586 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.201 -5.921 -9.249 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.855 -4.813 -8.424 1.00 0.00 O ATOM 0 H ASP A 98 -2.269 -5.937 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.013 -5.106 -8.771 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -3.046 -3.762 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.608 -3.122 -8.502 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.293 -3.346 -6.085 1.00 0.00 N ATOM 1487 CA LEU A 99 0.659 -2.344 -5.542 1.00 0.00 C ATOM 1488 C LEU A 99 2.094 -2.876 -5.674 1.00 0.00 C ATOM 1489 O LEU A 99 3.025 -2.132 -5.906 1.00 0.00 O ATOM 1490 CB LEU A 99 0.318 -2.101 -4.066 1.00 0.00 C ATOM 1491 CG LEU A 99 1.161 -0.948 -3.497 1.00 0.00 C ATOM 1492 CD1 LEU A 99 0.616 0.407 -3.978 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.116 -0.998 -1.967 1.00 0.00 C ATOM 0 H LEU A 99 -0.927 -3.751 -5.397 1.00 0.00 H new ATOM 0 HA LEU A 99 0.582 -1.408 -6.096 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.742 -1.867 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.500 -3.009 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 99 2.188 -1.057 -3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.225 1.211 -3.565 1.00 0.00 H new ATOM 0 HD12 LEU A 99 0.651 0.447 -5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.415 0.524 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.712 -0.182 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.084 -0.897 -1.630 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.519 -1.950 -1.622 1.00 0.00 H new ATOM 1505 N LEU A 100 2.276 -4.159 -5.506 1.00 0.00 N ATOM 1506 CA LEU A 100 3.645 -4.755 -5.593 1.00 0.00 C ATOM 1507 C LEU A 100 4.278 -4.490 -6.965 1.00 0.00 C ATOM 1508 O LEU A 100 5.445 -4.154 -7.060 1.00 0.00 O ATOM 1509 CB LEU A 100 3.538 -6.267 -5.355 1.00 0.00 C ATOM 1510 CG LEU A 100 4.909 -6.941 -5.519 1.00 0.00 C ATOM 1511 CD1 LEU A 100 5.929 -6.311 -4.558 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.764 -8.434 -5.207 1.00 0.00 C ATOM 0 H LEU A 100 1.530 -4.826 -5.311 1.00 0.00 H new ATOM 0 HA LEU A 100 4.281 -4.295 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.152 -6.456 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.827 -6.701 -6.058 1.00 0.00 H new ATOM 0 HG LEU A 100 5.262 -6.804 -6.541 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.896 -6.797 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.026 -5.248 -4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.589 -6.440 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.731 -8.925 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.411 -8.559 -4.183 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.047 -8.882 -5.896 1.00 0.00 H new ATOM 1524 N LEU A 101 3.540 -4.649 -8.028 1.00 0.00 N ATOM 1525 CA LEU A 101 4.141 -4.415 -9.376 1.00 0.00 C ATOM 1526 C LEU A 101 4.639 -2.967 -9.471 1.00 0.00 C ATOM 1527 O LEU A 101 5.719 -2.707 -9.962 1.00 0.00 O ATOM 1528 CB LEU A 101 3.083 -4.671 -10.473 1.00 0.00 C ATOM 1529 CG LEU A 101 2.929 -6.178 -10.798 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.035 -6.631 -11.768 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.982 -7.028 -9.517 1.00 0.00 C ATOM 0 H LEU A 101 2.559 -4.927 -8.026 1.00 0.00 H new ATOM 0 HA LEU A 101 4.978 -5.098 -9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.122 -4.271 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.363 -4.133 -11.378 1.00 0.00 H new ATOM 0 HG LEU A 101 1.956 -6.322 -11.269 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.914 -7.692 -11.987 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.965 -6.059 -12.693 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.010 -6.464 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.871 -8.081 -9.774 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.939 -6.875 -9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.173 -6.731 -8.849 1.00 0.00 H new ATOM 1543 N HIS A 102 3.863 -2.026 -9.017 1.00 0.00 N ATOM 1544 CA HIS A 102 4.292 -0.598 -9.095 1.00 0.00 C ATOM 1545 C HIS A 102 5.451 -0.302 -8.134 1.00 0.00 C ATOM 1546 O HIS A 102 6.328 0.471 -8.447 1.00 0.00 O ATOM 1547 CB HIS A 102 3.106 0.316 -8.763 1.00 0.00 C ATOM 1548 CG HIS A 102 2.205 0.418 -9.961 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.379 1.394 -10.926 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.137 -0.333 -10.372 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.438 1.207 -11.867 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.651 0.165 -11.579 1.00 0.00 N ATOM 0 H HIS A 102 2.948 -2.181 -8.594 1.00 0.00 H new ATOM 0 HA HIS A 102 4.638 -0.408 -10.111 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.554 -0.081 -7.911 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.464 1.305 -8.478 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.733 -1.182 -9.841 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.331 1.823 -12.748 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.135 -0.189 -12.125 1.00 0.00 H new ATOM 1560 N LEU A 103 5.459 -0.864 -6.960 1.00 0.00 N ATOM 1561 CA LEU A 103 6.566 -0.531 -6.012 1.00 0.00 C ATOM 1562 C LEU A 103 7.924 -0.903 -6.615 1.00 0.00 C ATOM 1563 O LEU A 103 8.834 -0.099 -6.630 1.00 0.00 O ATOM 1564 CB LEU A 103 6.375 -1.296 -4.699 1.00 0.00 C ATOM 1565 CG LEU A 103 5.168 -0.740 -3.932 1.00 0.00 C ATOM 1566 CD1 LEU A 103 4.851 -1.675 -2.761 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.461 0.678 -3.396 1.00 0.00 C ATOM 0 H LEU A 103 4.764 -1.527 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 103 6.542 0.542 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.227 -2.356 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.273 -1.213 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 103 4.316 -0.680 -4.609 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.994 -1.289 -2.209 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.619 -2.670 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.714 -1.733 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.590 1.050 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.317 0.643 -2.723 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.682 1.344 -4.230 1.00 0.00 H new ATOM 1579 N LYS A 104 8.086 -2.097 -7.115 1.00 0.00 N ATOM 1580 CA LYS A 104 9.410 -2.458 -7.705 1.00 0.00 C ATOM 1581 C LYS A 104 9.642 -1.686 -9.011 1.00 0.00 C ATOM 1582 O LYS A 104 10.762 -1.529 -9.453 1.00 0.00 O ATOM 1583 CB LYS A 104 9.495 -3.965 -7.964 1.00 0.00 C ATOM 1584 CG LYS A 104 8.374 -4.410 -8.900 1.00 0.00 C ATOM 1585 CD LYS A 104 8.537 -5.906 -9.196 1.00 0.00 C ATOM 1586 CE LYS A 104 7.413 -6.390 -10.124 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.919 -7.500 -10.980 1.00 0.00 N ATOM 0 H LYS A 104 7.375 -2.828 -7.142 1.00 0.00 H new ATOM 0 HA LYS A 104 10.187 -2.185 -6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.462 -4.211 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.426 -4.507 -7.021 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.403 -4.220 -8.442 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.407 -3.837 -9.827 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.506 -6.088 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.519 -6.472 -8.265 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.561 -6.730 -9.535 1.00 0.00 H new ATOM 0 HE3 LYS A 104 7.061 -5.567 -10.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.158 -7.828 -11.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.719 -7.161 -11.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.234 -8.287 -10.378 1.00 0.00 H new ATOM 1601 N LYS A 105 8.598 -1.219 -9.644 1.00 0.00 N ATOM 1602 CA LYS A 105 8.778 -0.478 -10.930 1.00 0.00 C ATOM 1603 C LYS A 105 9.514 0.846 -10.696 1.00 0.00 C ATOM 1604 O LYS A 105 10.447 1.177 -11.401 1.00 0.00 O ATOM 1605 CB LYS A 105 7.408 -0.189 -11.544 1.00 0.00 C ATOM 1606 CG LYS A 105 7.595 0.345 -12.971 1.00 0.00 C ATOM 1607 CD LYS A 105 6.230 0.656 -13.612 1.00 0.00 C ATOM 1608 CE LYS A 105 5.626 -0.612 -14.230 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.260 -0.868 -15.554 1.00 0.00 N ATOM 0 H LYS A 105 7.633 -1.317 -9.329 1.00 0.00 H new ATOM 0 HA LYS A 105 9.371 -1.094 -11.606 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.805 -1.097 -11.559 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.871 0.541 -10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 105 8.208 1.246 -12.951 1.00 0.00 H new ATOM 0 HG3 LYS A 105 8.128 -0.390 -13.574 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.552 1.060 -12.860 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.348 1.421 -14.379 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.784 -1.463 -13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.549 -0.495 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.771 -1.655 -16.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.190 -0.014 -16.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.261 -1.114 -15.418 1.00 0.00 H new ATOM 1623 N LEU A 106 9.110 1.608 -9.717 1.00 0.00 N ATOM 1624 CA LEU A 106 9.800 2.906 -9.455 1.00 0.00 C ATOM 1625 C LEU A 106 11.271 2.642 -9.127 1.00 0.00 C ATOM 1626 O LEU A 106 12.124 3.479 -9.347 1.00 0.00 O ATOM 1627 CB LEU A 106 9.126 3.638 -8.276 1.00 0.00 C ATOM 1628 CG LEU A 106 7.849 4.388 -8.728 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.214 5.699 -9.439 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.013 3.518 -9.674 1.00 0.00 C ATOM 0 H LEU A 106 8.336 1.391 -9.089 1.00 0.00 H new ATOM 0 HA LEU A 106 9.731 3.534 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 106 8.870 2.918 -7.498 1.00 0.00 H new ATOM 0 HB3 LEU A 106 9.829 4.346 -7.837 1.00 0.00 H new ATOM 0 HG LEU A 106 7.264 4.612 -7.836 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.303 6.211 -9.749 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.776 6.338 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.823 5.480 -10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.121 4.065 -9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.604 3.267 -10.555 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.719 2.602 -9.162 1.00 0.00 H new ATOM 1642 N PHE A 107 11.579 1.492 -8.594 1.00 0.00 N ATOM 1643 CA PHE A 107 12.996 1.198 -8.246 1.00 0.00 C ATOM 1644 C PHE A 107 13.863 1.264 -9.505 1.00 0.00 C ATOM 1645 O PHE A 107 14.972 1.758 -9.480 1.00 0.00 O ATOM 1646 CB PHE A 107 13.103 -0.205 -7.648 1.00 0.00 C ATOM 1647 CG PHE A 107 14.547 -0.469 -7.303 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.123 0.171 -6.201 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.313 -1.342 -8.085 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.464 -0.061 -5.879 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.654 -1.576 -7.762 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.230 -0.935 -6.659 1.00 0.00 C ATOM 0 H PHE A 107 10.914 0.747 -8.386 1.00 0.00 H new ATOM 0 HA PHE A 107 13.340 1.936 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.480 -0.286 -6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.741 -0.948 -8.359 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.532 0.845 -5.598 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.869 -1.835 -8.937 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.909 0.434 -5.028 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.245 -2.251 -8.364 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.265 -1.115 -6.410 1.00 0.00 H new ATOM 1662 N ARG A 108 13.370 0.768 -10.604 1.00 0.00 N ATOM 1663 CA ARG A 108 14.170 0.800 -11.860 1.00 0.00 C ATOM 1664 C ARG A 108 14.452 2.253 -12.255 1.00 0.00 C ATOM 1665 O ARG A 108 15.490 2.563 -12.805 1.00 0.00 O ATOM 1666 CB ARG A 108 13.401 0.096 -12.980 1.00 0.00 C ATOM 1667 CG ARG A 108 13.356 -1.408 -12.696 1.00 0.00 C ATOM 1668 CD ARG A 108 12.589 -2.120 -13.812 1.00 0.00 C ATOM 1669 NE ARG A 108 12.523 -3.580 -13.513 1.00 0.00 N ATOM 1670 CZ ARG A 108 11.692 -4.343 -14.169 1.00 0.00 C ATOM 1671 NH1 ARG A 108 10.917 -3.828 -15.084 1.00 0.00 N ATOM 1672 NH2 ARG A 108 11.636 -5.622 -13.910 1.00 0.00 N ATOM 0 H ARG A 108 12.447 0.341 -10.688 1.00 0.00 H new ATOM 0 HA ARG A 108 15.116 0.284 -11.698 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.389 0.495 -13.048 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.883 0.282 -13.940 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.369 -1.805 -12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.875 -1.592 -11.736 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.583 -1.709 -13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 108 13.082 -1.955 -14.770 1.00 0.00 H new ATOM 0 HE ARG A 108 13.127 -3.982 -12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 108 10.961 -2.829 -15.286 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.267 -4.424 -15.597 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.242 -6.025 -13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 108 10.986 -6.218 -14.423 1.00 0.00 H new ATOM 1686 N GLU A 109 13.536 3.146 -11.985 1.00 0.00 N ATOM 1687 CA GLU A 109 13.755 4.578 -12.354 1.00 0.00 C ATOM 1688 C GLU A 109 14.543 5.293 -11.253 1.00 0.00 C ATOM 1689 O GLU A 109 15.040 6.385 -11.447 1.00 0.00 O ATOM 1690 CB GLU A 109 12.400 5.268 -12.531 1.00 0.00 C ATOM 1691 CG GLU A 109 11.715 4.741 -13.793 1.00 0.00 C ATOM 1692 CD GLU A 109 12.464 5.247 -15.027 1.00 0.00 C ATOM 1693 OE1 GLU A 109 13.185 6.223 -14.897 1.00 0.00 O ATOM 1694 OE2 GLU A 109 12.305 4.652 -16.079 1.00 0.00 O ATOM 0 H GLU A 109 12.647 2.947 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 109 14.321 4.622 -13.285 1.00 0.00 H new ATOM 0 HB2 GLU A 109 11.771 5.084 -11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.537 6.347 -12.603 1.00 0.00 H new ATOM 0 HG2 GLU A 109 11.701 3.651 -13.784 1.00 0.00 H new ATOM 0 HG3 GLU A 109 10.677 5.073 -13.822 1.00 0.00 H new ATOM 1701 N GLY A 110 14.670 4.693 -10.103 1.00 0.00 N ATOM 1702 CA GLY A 110 15.433 5.348 -9.006 1.00 0.00 C ATOM 1703 C GLY A 110 14.725 6.639 -8.587 1.00 0.00 C ATOM 1704 O GLY A 110 15.233 7.404 -7.792 1.00 0.00 O ATOM 0 H GLY A 110 14.279 3.779 -9.876 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.515 4.674 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.448 5.569 -9.337 1.00 0.00 H new ATOM 1708 N ARG A 111 13.547 6.884 -9.106 1.00 0.00 N ATOM 1709 CA ARG A 111 12.803 8.124 -8.723 1.00 0.00 C ATOM 1710 C ARG A 111 11.858 7.785 -7.575 1.00 0.00 C ATOM 1711 O ARG A 111 10.782 7.258 -7.774 1.00 0.00 O ATOM 1712 CB ARG A 111 11.994 8.632 -9.920 1.00 0.00 C ATOM 1713 CG ARG A 111 12.948 9.181 -10.983 1.00 0.00 C ATOM 1714 CD ARG A 111 12.145 9.691 -12.182 1.00 0.00 C ATOM 1715 NE ARG A 111 11.316 10.861 -11.772 1.00 0.00 N ATOM 1716 CZ ARG A 111 10.807 11.651 -12.680 1.00 0.00 C ATOM 1717 NH1 ARG A 111 11.042 11.429 -13.944 1.00 0.00 N ATOM 1718 NH2 ARG A 111 10.067 12.665 -12.323 1.00 0.00 N ATOM 0 H ARG A 111 13.070 6.281 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 111 13.504 8.900 -8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.394 7.823 -10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.301 9.411 -9.601 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.548 9.989 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.640 8.402 -11.302 1.00 0.00 H new ATOM 0 HD2 ARG A 111 12.820 9.976 -12.989 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.505 8.897 -12.567 1.00 0.00 H new ATOM 0 HE ARG A 111 11.146 11.045 -10.783 1.00 0.00 H new ATOM 0 HH11 ARG A 111 11.623 10.639 -14.224 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.645 12.046 -14.653 1.00 0.00 H new ATOM 0 HH21 ARG A 111 9.886 12.841 -11.335 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.670 13.281 -13.032 1.00 0.00 H new ATOM 1732 N PHE A 112 12.265 8.067 -6.367 1.00 0.00 N ATOM 1733 CA PHE A 112 11.413 7.748 -5.185 1.00 0.00 C ATOM 1734 C PHE A 112 10.591 8.975 -4.786 1.00 0.00 C ATOM 1735 O PHE A 112 11.105 10.069 -4.663 1.00 0.00 O ATOM 1736 CB PHE A 112 12.328 7.324 -4.037 1.00 0.00 C ATOM 1737 CG PHE A 112 13.257 6.251 -4.551 1.00 0.00 C ATOM 1738 CD1 PHE A 112 12.818 4.927 -4.631 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.552 6.586 -4.970 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.672 3.936 -5.128 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.406 5.592 -5.465 1.00 0.00 C ATOM 1742 CZ PHE A 112 14.965 4.268 -5.544 1.00 0.00 C ATOM 0 H PHE A 112 13.158 8.508 -6.147 1.00 0.00 H new ATOM 0 HA PHE A 112 10.721 6.941 -5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 112 12.898 8.177 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 112 11.740 6.949 -3.200 1.00 0.00 H new ATOM 0 HD1 PHE A 112 11.820 4.668 -4.309 1.00 0.00 H new ATOM 0 HD2 PHE A 112 14.891 7.610 -4.911 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.332 2.913 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.405 5.849 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.623 3.502 -5.926 1.00 0.00 H new ATOM 1752 N ASN A 113 9.314 8.798 -4.584 1.00 0.00 N ATOM 1753 CA ASN A 113 8.448 9.945 -4.191 1.00 0.00 C ATOM 1754 C ASN A 113 8.656 11.106 -5.168 1.00 0.00 C ATOM 1755 CB ASN A 113 8.810 10.391 -2.770 1.00 0.00 C ATOM 1756 CG ASN A 113 7.697 11.280 -2.210 1.00 0.00 C ATOM 1757 OD1 ASN A 113 6.535 11.066 -2.490 1.00 0.00 O ATOM 1758 ND2 ASN A 113 8.007 12.275 -1.425 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.491 11.951 -4.890 1.00 0.00 O ATOM 0 H ASN A 113 8.831 7.904 -4.675 1.00 0.00 H new ATOM 0 HA ASN A 113 7.402 9.639 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 113 8.950 9.520 -2.130 1.00 0.00 H new ATOM 0 HB3 ASN A 113 9.754 10.936 -2.779 1.00 0.00 H new ATOM 0 HD21 ASN A 113 7.273 12.874 -1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 113 8.983 12.454 -1.190 1.00 0.00 H new