USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1001 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 111 ASN : amide:sc= -0.258 X(o=-1.4,f=-1.7) USER MOD Set 1.3: A 120 TYR OH : rot -162:sc= -1.1 USER MOD Set 2.1: A 73 THR OG1 : rot -77:sc= 1.26 USER MOD Set 2.2: A 75 THR OG1 : rot 42:sc= 0.334 USER MOD Set 3.1: A 47 LYS NZ :NH3+ 151:sc= 0.275 (180deg=-1.77!) USER MOD Set 3.2: A 64 THR OG1 : rot 125:sc= 0.0816 USER MOD Set 4.1: A 43 HIS : no HE2:sc= 0 X(o=-1.2,f=-1.4) USER MOD Set 4.2: A 85 MET CE :methyl -118:sc= -1.23 (180deg=-7.05!) USER MOD Single : A 4 SER OG : rot 113:sc= 0.646 USER MOD Single : A 6 LYS NZ :NH3+ 143:sc= -0.503 (180deg=-3.47!) USER MOD Single : A 7 TYR OH : rot -44:sc= 0.819 USER MOD Single : A 8 GLN : amide:sc= 0.265 X(o=0.26,f=0) USER MOD Single : A 10 GLN : amide:sc= -0.0108 K(o=-0.011,f=-1) USER MOD Single : A 11 SER OG : rot 12:sc= 0.525 USER MOD Single : A 12 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.338 K(o=-0.34,f=-2.8!) USER MOD Single : A 19 MET CE :methyl -165:sc= -0.424 (180deg=-0.678) USER MOD Single : A 20 LYS NZ :NH3+ -173:sc= 0.334 (180deg=0.315) USER MOD Single : A 22 MET CE :methyl 165:sc= -0.805 (180deg=-1.63) USER MOD Single : A 30 GLN :FLIP amide:sc= -0.206 F(o=-1!,f=-0.21) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.17 (180deg=1.05) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 100:sc= -1.04 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -114:sc= 1.26 (180deg=0.475) USER MOD Single : A 51 THR OG1 : rot 74:sc= 0.683 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.141 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 HIS : no HE2:sc= 0.401 K(o=0.4,f=-5.1!) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.445 F(o=-2.3,f=-0.44) USER MOD Single : A 69 CYS SG : rot -120:sc= -1.07 USER MOD Single : A 74 MET CE :methyl 159:sc= -0.145 (180deg=-0.787) USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 1.81 (180deg=1.57) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN :FLIP amide:sc= -0.958 F(o=-2.4!,f=-0.96) USER MOD Single : A 90 LYS NZ :NH3+ 134:sc= 1.16 (180deg=-0.168!) USER MOD Single : A 91 MET CE :methyl 177:sc= -5.63! (180deg=-5.91!) USER MOD Single : A 93 THR OG1 : rot -130:sc= 0 USER MOD Single : A 94 THR OG1 : rot 33:sc= 0.00151 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -159:sc= -0.0769 (180deg=-0.458) USER MOD Single : A 100 SER OG : rot -100:sc= 0.344 USER MOD Single : A 105 ASN : amide:sc= 0.505 K(o=0.5,f=-0.0044) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl 165:sc= -0.0597 (180deg=-0.947) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot 7:sc= 0.203 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 54 N SER A 4 5.188 -11.607 5.534 1.00 0.00 N ATOM 55 CA SER A 4 4.944 -10.444 6.377 1.00 0.00 C ATOM 56 C SER A 4 6.197 -9.993 7.147 1.00 0.00 C ATOM 57 O SER A 4 7.313 -10.440 6.871 1.00 0.00 O ATOM 58 CB SER A 4 3.789 -10.721 7.329 1.00 0.00 C ATOM 59 OG SER A 4 4.103 -11.675 8.331 1.00 0.00 O ATOM 0 HA SER A 4 4.676 -9.618 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 4 3.490 -9.788 7.807 1.00 0.00 H new ATOM 0 HB3 SER A 4 2.932 -11.075 6.756 1.00 0.00 H new ATOM 0 HG SER A 4 4.110 -11.238 9.208 1.00 0.00 H new ATOM 65 N GLY A 5 5.995 -9.102 8.114 1.00 0.00 N ATOM 66 CA GLY A 5 7.099 -8.519 8.852 1.00 0.00 C ATOM 67 C GLY A 5 7.188 -7.039 8.626 1.00 0.00 C ATOM 68 O GLY A 5 6.285 -6.449 8.035 1.00 0.00 O ATOM 0 H GLY A 5 5.074 -8.771 8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 5 6.973 -8.719 9.916 1.00 0.00 H new ATOM 0 HA3 GLY A 5 8.032 -8.992 8.547 1.00 0.00 H new ATOM 72 N LYS A 6 8.259 -6.428 9.090 1.00 0.00 N ATOM 73 CA LYS A 6 8.412 -4.993 8.917 1.00 0.00 C ATOM 74 C LYS A 6 9.273 -4.698 7.705 1.00 0.00 C ATOM 75 O LYS A 6 10.434 -5.092 7.627 1.00 0.00 O ATOM 76 CB LYS A 6 9.025 -4.308 10.147 1.00 0.00 C ATOM 77 CG LYS A 6 8.461 -4.761 11.474 1.00 0.00 C ATOM 78 CD LYS A 6 9.263 -4.203 12.646 1.00 0.00 C ATOM 79 CE LYS A 6 9.462 -2.687 12.563 1.00 0.00 C ATOM 80 NZ LYS A 6 8.198 -1.925 12.749 1.00 0.00 N ATOM 0 H LYS A 6 9.025 -6.889 9.581 1.00 0.00 H new ATOM 0 HA LYS A 6 7.409 -4.590 8.777 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.100 -4.486 10.146 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.880 -3.232 10.055 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.423 -4.440 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.462 -5.850 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.753 -4.447 13.578 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.237 -4.691 12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.181 -2.378 13.322 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.893 -2.435 11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.392 -1.056 13.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.803 -1.676 11.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.514 -2.509 13.271 1.00 0.00 H new ATOM 94 N TYR A 7 8.672 -4.019 6.755 1.00 0.00 N ATOM 95 CA TYR A 7 9.362 -3.525 5.590 1.00 0.00 C ATOM 96 C TYR A 7 9.196 -2.017 5.578 1.00 0.00 C ATOM 97 O TYR A 7 8.104 -1.519 5.794 1.00 0.00 O ATOM 98 CB TYR A 7 8.765 -4.105 4.300 1.00 0.00 C ATOM 99 CG TYR A 7 8.535 -5.605 4.290 1.00 0.00 C ATOM 100 CD1 TYR A 7 7.504 -6.183 5.021 1.00 0.00 C ATOM 101 CD2 TYR A 7 9.322 -6.439 3.506 1.00 0.00 C ATOM 102 CE1 TYR A 7 7.268 -7.543 4.976 1.00 0.00 C ATOM 103 CE2 TYR A 7 9.094 -7.801 3.463 1.00 0.00 C ATOM 104 CZ TYR A 7 8.067 -8.347 4.195 1.00 0.00 C ATOM 105 OH TYR A 7 7.834 -9.702 4.144 1.00 0.00 O ATOM 0 H TYR A 7 7.678 -3.792 6.772 1.00 0.00 H new ATOM 0 HA TYR A 7 10.411 -3.819 5.633 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.813 -3.610 4.109 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.427 -3.853 3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.875 -5.556 5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.125 -6.016 2.921 1.00 0.00 H new ATOM 0 HE1 TYR A 7 6.461 -7.973 5.550 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.722 -8.436 2.855 1.00 0.00 H new ATOM 0 HH TYR A 7 7.662 -10.039 5.048 1.00 0.00 H new ATOM 115 N GLN A 8 10.250 -1.290 5.325 1.00 0.00 N ATOM 116 CA GLN A 8 10.183 0.151 5.401 1.00 0.00 C ATOM 117 C GLN A 8 10.086 0.694 3.990 1.00 0.00 C ATOM 118 O GLN A 8 10.721 0.166 3.072 1.00 0.00 O ATOM 119 CB GLN A 8 11.412 0.698 6.126 1.00 0.00 C ATOM 120 CG GLN A 8 11.144 1.965 6.923 1.00 0.00 C ATOM 121 CD GLN A 8 11.898 3.171 6.398 1.00 0.00 C ATOM 122 OE1 GLN A 8 13.038 3.421 6.790 1.00 0.00 O ATOM 123 NE2 GLN A 8 11.264 3.941 5.530 1.00 0.00 N ATOM 0 H GLN A 8 11.162 -1.665 5.066 1.00 0.00 H new ATOM 0 HA GLN A 8 9.307 0.464 5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 8 11.796 -0.069 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.194 0.900 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.075 2.178 6.907 1.00 0.00 H new ATOM 0 HG3 GLN A 8 11.420 1.797 7.964 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.320 3.700 5.229 1.00 0.00 H new ATOM 0 HE22 GLN A 8 11.719 4.776 5.161 1.00 0.00 H new ATOM 132 N VAL A 9 9.267 1.716 3.799 1.00 0.00 N ATOM 133 CA VAL A 9 9.071 2.260 2.470 1.00 0.00 C ATOM 134 C VAL A 9 10.352 2.866 1.938 1.00 0.00 C ATOM 135 O VAL A 9 11.091 3.550 2.643 1.00 0.00 O ATOM 136 CB VAL A 9 7.940 3.300 2.422 1.00 0.00 C ATOM 137 CG1 VAL A 9 8.001 4.109 1.147 1.00 0.00 C ATOM 138 CG2 VAL A 9 6.628 2.599 2.513 1.00 0.00 C ATOM 0 H VAL A 9 8.736 2.178 4.537 1.00 0.00 H new ATOM 0 HA VAL A 9 8.778 1.425 1.834 1.00 0.00 H new ATOM 0 HB VAL A 9 8.057 3.984 3.263 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.190 4.837 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.957 4.630 1.092 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.900 3.444 0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.821 3.331 2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.526 1.908 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.576 2.044 3.450 1.00 0.00 H new ATOM 148 N GLN A 10 10.568 2.606 0.667 1.00 0.00 N ATOM 149 CA GLN A 10 11.842 2.859 0.016 1.00 0.00 C ATOM 150 C GLN A 10 11.707 3.948 -1.041 1.00 0.00 C ATOM 151 O GLN A 10 12.391 4.972 -0.990 1.00 0.00 O ATOM 152 CB GLN A 10 12.325 1.566 -0.629 1.00 0.00 C ATOM 153 CG GLN A 10 13.633 1.060 -0.099 1.00 0.00 C ATOM 154 CD GLN A 10 14.808 1.910 -0.535 1.00 0.00 C ATOM 155 OE1 GLN A 10 14.788 2.511 -1.609 1.00 0.00 O ATOM 156 NE2 GLN A 10 15.839 1.968 0.289 1.00 0.00 N ATOM 0 H GLN A 10 9.861 2.210 0.048 1.00 0.00 H new ATOM 0 HA GLN A 10 12.562 3.201 0.759 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.566 0.797 -0.484 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.419 1.723 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.593 1.033 0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.786 0.035 -0.438 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.817 1.455 1.170 1.00 0.00 H new ATOM 0 HE22 GLN A 10 16.657 2.526 0.044 1.00 0.00 H new ATOM 165 N SER A 11 10.828 3.715 -2.005 1.00 0.00 N ATOM 166 CA SER A 11 10.637 4.631 -3.119 1.00 0.00 C ATOM 167 C SER A 11 9.261 4.445 -3.737 1.00 0.00 C ATOM 168 O SER A 11 8.686 3.358 -3.661 1.00 0.00 O ATOM 169 CB SER A 11 11.713 4.390 -4.172 1.00 0.00 C ATOM 170 OG SER A 11 12.970 4.888 -3.750 1.00 0.00 O ATOM 0 H SER A 11 10.230 2.889 -2.037 1.00 0.00 H new ATOM 0 HA SER A 11 10.714 5.653 -2.747 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.793 3.322 -4.375 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.424 4.872 -5.106 1.00 0.00 H new ATOM 0 HG SER A 11 12.929 5.114 -2.797 1.00 0.00 H new ATOM 176 N GLN A 12 8.728 5.504 -4.333 1.00 0.00 N ATOM 177 CA GLN A 12 7.468 5.411 -5.055 1.00 0.00 C ATOM 178 C GLN A 12 7.519 6.224 -6.333 1.00 0.00 C ATOM 179 O GLN A 12 8.237 7.220 -6.435 1.00 0.00 O ATOM 180 CB GLN A 12 6.264 5.879 -4.228 1.00 0.00 C ATOM 181 CG GLN A 12 5.976 5.032 -2.998 1.00 0.00 C ATOM 182 CD GLN A 12 6.341 5.721 -1.695 1.00 0.00 C ATOM 183 OE1 GLN A 12 5.720 5.481 -0.664 1.00 0.00 O ATOM 184 NE2 GLN A 12 7.356 6.571 -1.727 1.00 0.00 N ATOM 0 H GLN A 12 9.148 6.434 -4.330 1.00 0.00 H new ATOM 0 HA GLN A 12 7.334 4.353 -5.279 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.434 6.909 -3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.380 5.883 -4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 12 4.916 4.777 -2.981 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.529 4.095 -3.073 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.848 6.745 -2.603 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.646 7.052 -0.875 1.00 0.00 H new ATOM 193 N GLU A 13 6.748 5.769 -7.291 1.00 0.00 N ATOM 194 CA GLU A 13 6.564 6.442 -8.554 1.00 0.00 C ATOM 195 C GLU A 13 5.331 7.317 -8.486 1.00 0.00 C ATOM 196 O GLU A 13 4.270 6.851 -8.054 1.00 0.00 O ATOM 197 CB GLU A 13 6.391 5.406 -9.635 1.00 0.00 C ATOM 198 CG GLU A 13 7.570 4.463 -9.779 1.00 0.00 C ATOM 199 CD GLU A 13 8.910 5.171 -9.813 1.00 0.00 C ATOM 200 OE1 GLU A 13 9.313 5.640 -10.897 1.00 0.00 O ATOM 201 OE2 GLU A 13 9.577 5.237 -8.760 1.00 0.00 O ATOM 0 H GLU A 13 6.219 4.901 -7.212 1.00 0.00 H new ATOM 0 HA GLU A 13 7.431 7.065 -8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.495 4.822 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.225 5.912 -10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.563 3.756 -8.950 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.451 3.883 -10.694 1.00 0.00 H new ATOM 208 N ASN A 14 5.474 8.576 -8.890 1.00 0.00 N ATOM 209 CA ASN A 14 4.361 9.519 -8.897 1.00 0.00 C ATOM 210 C ASN A 14 3.962 9.901 -7.476 1.00 0.00 C ATOM 211 O ASN A 14 4.431 10.899 -6.965 1.00 0.00 O ATOM 212 CB ASN A 14 3.172 8.925 -9.655 1.00 0.00 C ATOM 213 CG ASN A 14 3.145 9.327 -11.116 1.00 0.00 C ATOM 214 OD1 ASN A 14 3.572 10.418 -11.485 1.00 0.00 O ATOM 215 ND2 ASN A 14 2.641 8.440 -11.949 1.00 0.00 N ATOM 0 H ASN A 14 6.356 8.968 -9.219 1.00 0.00 H new ATOM 0 HA ASN A 14 4.680 10.427 -9.408 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.208 7.838 -9.583 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.246 9.246 -9.178 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.593 8.647 -12.947 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.298 7.546 -11.596 1.00 0.00 H new ATOM 222 N PHE A 15 3.157 9.048 -6.844 1.00 0.00 N ATOM 223 CA PHE A 15 2.569 9.251 -5.506 1.00 0.00 C ATOM 224 C PHE A 15 2.122 10.691 -5.283 1.00 0.00 C ATOM 225 O PHE A 15 2.196 11.227 -4.182 1.00 0.00 O ATOM 226 CB PHE A 15 3.528 8.780 -4.394 1.00 0.00 C ATOM 227 CG PHE A 15 4.829 9.538 -4.283 1.00 0.00 C ATOM 228 CD1 PHE A 15 5.920 9.182 -5.057 1.00 0.00 C ATOM 229 CD2 PHE A 15 4.966 10.590 -3.390 1.00 0.00 C ATOM 230 CE1 PHE A 15 7.119 9.860 -4.949 1.00 0.00 C ATOM 231 CE2 PHE A 15 6.161 11.272 -3.280 1.00 0.00 C ATOM 232 CZ PHE A 15 7.239 10.907 -4.059 1.00 0.00 C ATOM 0 H PHE A 15 2.881 8.159 -7.261 1.00 0.00 H new ATOM 0 HA PHE A 15 1.673 8.633 -5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.007 8.848 -3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.756 7.727 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.833 8.363 -5.755 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.128 10.879 -2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.961 9.571 -5.560 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.252 12.092 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.175 11.440 -3.972 1.00 0.00 H new ATOM 242 N GLU A 16 1.615 11.286 -6.345 1.00 0.00 N ATOM 243 CA GLU A 16 1.217 12.686 -6.344 1.00 0.00 C ATOM 244 C GLU A 16 -0.018 12.881 -7.213 1.00 0.00 C ATOM 245 O GLU A 16 -0.977 13.511 -6.794 1.00 0.00 O ATOM 246 CB GLU A 16 2.387 13.508 -6.839 1.00 0.00 C ATOM 247 CG GLU A 16 3.590 13.359 -5.968 1.00 0.00 C ATOM 248 CD GLU A 16 4.768 14.190 -6.436 1.00 0.00 C ATOM 249 OE1 GLU A 16 5.003 14.251 -7.659 1.00 0.00 O ATOM 250 OE2 GLU A 16 5.475 14.771 -5.592 1.00 0.00 O ATOM 0 H GLU A 16 1.466 10.814 -7.237 1.00 0.00 H new ATOM 0 HA GLU A 16 0.953 13.011 -5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.637 13.205 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.099 14.558 -6.881 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.332 13.647 -4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.882 12.309 -5.938 1.00 0.00 H new ATOM 257 N PRO A 17 -0.038 12.311 -8.426 1.00 0.00 N ATOM 258 CA PRO A 17 -1.254 12.251 -9.232 1.00 0.00 C ATOM 259 C PRO A 17 -2.257 11.315 -8.578 1.00 0.00 C ATOM 260 O PRO A 17 -3.465 11.497 -8.626 1.00 0.00 O ATOM 261 CB PRO A 17 -0.786 11.656 -10.528 1.00 0.00 C ATOM 262 CG PRO A 17 0.384 10.848 -10.131 1.00 0.00 C ATOM 263 CD PRO A 17 1.085 11.666 -9.110 1.00 0.00 C ATOM 0 HA PRO A 17 -1.738 13.221 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.559 11.043 -10.991 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.516 12.427 -11.250 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.079 9.884 -9.723 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.030 10.643 -10.984 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.680 11.054 -8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.762 12.392 -9.561 1.00 0.00 H new ATOM 271 N PHE A 18 -1.689 10.295 -7.977 1.00 0.00 N ATOM 272 CA PHE A 18 -2.404 9.322 -7.183 1.00 0.00 C ATOM 273 C PHE A 18 -3.059 9.971 -5.980 1.00 0.00 C ATOM 274 O PHE A 18 -4.245 9.783 -5.721 1.00 0.00 O ATOM 275 CB PHE A 18 -1.385 8.273 -6.792 1.00 0.00 C ATOM 276 CG PHE A 18 -1.544 7.640 -5.464 1.00 0.00 C ATOM 277 CD1 PHE A 18 -2.575 6.773 -5.174 1.00 0.00 C ATOM 278 CD2 PHE A 18 -0.616 7.922 -4.515 1.00 0.00 C ATOM 279 CE1 PHE A 18 -2.668 6.199 -3.925 1.00 0.00 C ATOM 280 CE2 PHE A 18 -0.686 7.357 -3.257 1.00 0.00 C ATOM 281 CZ PHE A 18 -1.720 6.490 -2.960 1.00 0.00 C ATOM 0 H PHE A 18 -0.687 10.114 -8.029 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.222 8.868 -7.742 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.403 7.486 -7.546 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.396 8.730 -6.832 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -3.313 6.543 -5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.192 8.600 -4.748 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.480 5.523 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.060 7.591 -2.512 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.788 6.042 -1.980 1.00 0.00 H new ATOM 291 N MET A 19 -2.273 10.737 -5.259 1.00 0.00 N ATOM 292 CA MET A 19 -2.782 11.519 -4.146 1.00 0.00 C ATOM 293 C MET A 19 -3.797 12.557 -4.628 1.00 0.00 C ATOM 294 O MET A 19 -4.842 12.759 -4.000 1.00 0.00 O ATOM 295 CB MET A 19 -1.624 12.217 -3.449 1.00 0.00 C ATOM 296 CG MET A 19 -0.522 11.275 -3.006 1.00 0.00 C ATOM 297 SD MET A 19 -0.902 10.409 -1.469 1.00 0.00 S ATOM 298 CE MET A 19 -0.875 11.761 -0.293 1.00 0.00 C ATOM 0 H MET A 19 -1.271 10.838 -5.422 1.00 0.00 H new ATOM 0 HA MET A 19 -3.284 10.848 -3.448 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.203 12.963 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 19 -2.004 12.752 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.341 10.543 -3.793 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.401 11.841 -2.878 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.826 11.361 0.720 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.002 12.387 -0.479 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.780 12.358 -0.404 1.00 0.00 H new ATOM 308 N LYS A 20 -3.495 13.189 -5.762 1.00 0.00 N ATOM 309 CA LYS A 20 -4.325 14.266 -6.287 1.00 0.00 C ATOM 310 C LYS A 20 -5.663 13.717 -6.767 1.00 0.00 C ATOM 311 O LYS A 20 -6.694 14.384 -6.683 1.00 0.00 O ATOM 312 CB LYS A 20 -3.604 15.022 -7.417 1.00 0.00 C ATOM 313 CG LYS A 20 -3.773 14.419 -8.802 1.00 0.00 C ATOM 314 CD LYS A 20 -2.929 15.159 -9.821 1.00 0.00 C ATOM 315 CE LYS A 20 -3.368 16.603 -9.979 1.00 0.00 C ATOM 316 NZ LYS A 20 -2.536 17.321 -10.977 1.00 0.00 N ATOM 0 H LYS A 20 -2.679 12.971 -6.334 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.512 14.976 -5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.969 16.049 -7.437 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.540 15.066 -7.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.487 13.367 -8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.822 14.459 -9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.883 15.129 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.995 14.652 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.413 16.635 -10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.303 17.111 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.784 18.331 -10.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.531 17.211 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.709 16.925 -11.923 1.00 0.00 H new ATOM 330 N ALA A 21 -5.628 12.488 -7.267 1.00 0.00 N ATOM 331 CA ALA A 21 -6.820 11.808 -7.738 1.00 0.00 C ATOM 332 C ALA A 21 -7.841 11.656 -6.615 1.00 0.00 C ATOM 333 O ALA A 21 -9.048 11.703 -6.847 1.00 0.00 O ATOM 334 CB ALA A 21 -6.450 10.446 -8.306 1.00 0.00 C ATOM 0 H ALA A 21 -4.773 11.939 -7.356 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.273 12.411 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.350 9.942 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.758 10.575 -9.138 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.977 9.845 -7.530 1.00 0.00 H new ATOM 340 N MET A 22 -7.346 11.499 -5.392 1.00 0.00 N ATOM 341 CA MET A 22 -8.212 11.329 -4.234 1.00 0.00 C ATOM 342 C MET A 22 -8.682 12.673 -3.718 1.00 0.00 C ATOM 343 O MET A 22 -9.879 12.949 -3.672 1.00 0.00 O ATOM 344 CB MET A 22 -7.485 10.590 -3.116 1.00 0.00 C ATOM 345 CG MET A 22 -6.825 9.323 -3.585 1.00 0.00 C ATOM 346 SD MET A 22 -6.042 8.402 -2.252 1.00 0.00 S ATOM 347 CE MET A 22 -5.737 6.847 -3.082 1.00 0.00 C ATOM 0 H MET A 22 -6.349 11.486 -5.178 1.00 0.00 H new ATOM 0 HA MET A 22 -9.074 10.741 -4.549 1.00 0.00 H new ATOM 0 HB2 MET A 22 -6.731 11.248 -2.683 1.00 0.00 H new ATOM 0 HB3 MET A 22 -8.194 10.352 -2.323 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.569 8.690 -4.068 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.076 9.567 -4.339 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.028 6.257 -2.501 1.00 0.00 H new ATOM 0 HE2 MET A 22 -6.673 6.297 -3.180 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.324 7.038 -4.072 1.00 0.00 H new ATOM 357 N GLY A 23 -7.733 13.516 -3.338 1.00 0.00 N ATOM 358 CA GLY A 23 -8.103 14.792 -2.776 1.00 0.00 C ATOM 359 C GLY A 23 -6.953 15.760 -2.594 1.00 0.00 C ATOM 360 O GLY A 23 -7.093 16.942 -2.911 1.00 0.00 O ATOM 0 H GLY A 23 -6.731 13.341 -3.408 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.851 15.254 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.576 14.624 -1.808 1.00 0.00 H new ATOM 364 N LEU A 24 -5.824 15.284 -2.078 1.00 0.00 N ATOM 365 CA LEU A 24 -4.721 16.156 -1.761 1.00 0.00 C ATOM 366 C LEU A 24 -4.003 16.573 -3.036 1.00 0.00 C ATOM 367 O LEU A 24 -3.591 15.729 -3.825 1.00 0.00 O ATOM 368 CB LEU A 24 -3.760 15.432 -0.828 1.00 0.00 C ATOM 369 CG LEU A 24 -2.647 16.295 -0.255 1.00 0.00 C ATOM 370 CD1 LEU A 24 -3.166 17.108 0.910 1.00 0.00 C ATOM 371 CD2 LEU A 24 -1.483 15.434 0.155 1.00 0.00 C ATOM 0 H LEU A 24 -5.658 14.298 -1.874 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.096 17.052 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.330 15.006 -0.003 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.311 14.599 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.300 16.988 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.361 17.722 1.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.978 17.751 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.534 16.437 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.692 16.062 0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.807 14.720 0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.105 14.895 -0.714 1.00 0.00 H new ATOM 383 N PRO A 25 -3.838 17.880 -3.245 1.00 0.00 N ATOM 384 CA PRO A 25 -3.230 18.414 -4.460 1.00 0.00 C ATOM 385 C PRO A 25 -1.731 18.191 -4.473 1.00 0.00 C ATOM 386 O PRO A 25 -1.120 18.095 -3.405 1.00 0.00 O ATOM 387 CB PRO A 25 -3.544 19.902 -4.375 1.00 0.00 C ATOM 388 CG PRO A 25 -3.558 20.159 -2.921 1.00 0.00 C ATOM 389 CD PRO A 25 -4.195 18.948 -2.302 1.00 0.00 C ATOM 0 HA PRO A 25 -3.607 17.937 -5.365 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.790 20.503 -4.883 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -4.503 20.138 -4.835 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -2.548 20.308 -2.540 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -4.123 21.061 -2.688 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.807 18.752 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.275 19.061 -2.208 1.00 0.00 H new ATOM 397 N GLU A 26 -1.134 18.111 -5.655 1.00 0.00 N ATOM 398 CA GLU A 26 0.289 17.902 -5.771 1.00 0.00 C ATOM 399 C GLU A 26 1.056 18.880 -4.918 1.00 0.00 C ATOM 400 O GLU A 26 1.936 18.461 -4.206 1.00 0.00 O ATOM 401 CB GLU A 26 0.723 18.019 -7.218 1.00 0.00 C ATOM 402 CG GLU A 26 1.396 16.774 -7.760 1.00 0.00 C ATOM 403 CD GLU A 26 1.407 16.750 -9.273 1.00 0.00 C ATOM 404 OE1 GLU A 26 0.312 16.739 -9.882 1.00 0.00 O ATOM 405 OE2 GLU A 26 2.506 16.765 -9.865 1.00 0.00 O ATOM 0 H GLU A 26 -1.623 18.189 -6.547 1.00 0.00 H new ATOM 0 HA GLU A 26 0.510 16.896 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.149 18.245 -7.831 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.408 18.862 -7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.420 16.724 -7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.878 15.890 -7.387 1.00 0.00 H new ATOM 412 N ASP A 27 0.677 20.152 -4.920 1.00 0.00 N ATOM 413 CA ASP A 27 1.392 21.146 -4.116 1.00 0.00 C ATOM 414 C ASP A 27 1.401 20.745 -2.648 1.00 0.00 C ATOM 415 O ASP A 27 2.428 20.812 -2.005 1.00 0.00 O ATOM 416 CB ASP A 27 0.773 22.541 -4.265 1.00 0.00 C ATOM 417 CG ASP A 27 -0.706 22.572 -3.956 1.00 0.00 C ATOM 418 OD1 ASP A 27 -1.510 22.335 -4.876 1.00 0.00 O ATOM 419 OD2 ASP A 27 -1.068 22.843 -2.795 1.00 0.00 O ATOM 0 H ASP A 27 -0.108 20.520 -5.458 1.00 0.00 H new ATOM 0 HA ASP A 27 2.417 21.183 -4.485 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.291 23.234 -3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.932 22.895 -5.283 1.00 0.00 H new ATOM 424 N LEU A 28 0.291 20.253 -2.137 1.00 0.00 N ATOM 425 CA LEU A 28 0.242 19.834 -0.736 1.00 0.00 C ATOM 426 C LEU A 28 1.056 18.564 -0.552 1.00 0.00 C ATOM 427 O LEU A 28 1.701 18.367 0.478 1.00 0.00 O ATOM 428 CB LEU A 28 -1.202 19.670 -0.265 1.00 0.00 C ATOM 429 CG LEU A 28 -1.906 20.996 0.021 1.00 0.00 C ATOM 430 CD1 LEU A 28 -3.397 20.814 0.225 1.00 0.00 C ATOM 431 CD2 LEU A 28 -1.301 21.627 1.245 1.00 0.00 C ATOM 0 H LEU A 28 -0.580 20.131 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 28 0.686 20.610 -0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.764 19.126 -1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.214 19.060 0.638 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.769 21.643 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.858 21.781 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.837 20.382 -0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.570 20.148 1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.801 22.573 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.423 20.958 2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.240 21.807 1.075 1.00 0.00 H new ATOM 443 N ILE A 29 1.039 17.723 -1.571 1.00 0.00 N ATOM 444 CA ILE A 29 1.918 16.574 -1.637 1.00 0.00 C ATOM 445 C ILE A 29 3.385 17.015 -1.654 1.00 0.00 C ATOM 446 O ILE A 29 4.179 16.531 -0.894 1.00 0.00 O ATOM 447 CB ILE A 29 1.643 15.778 -2.909 1.00 0.00 C ATOM 448 CG1 ILE A 29 0.191 15.370 -2.957 1.00 0.00 C ATOM 449 CG2 ILE A 29 2.514 14.552 -2.959 1.00 0.00 C ATOM 450 CD1 ILE A 29 -0.278 14.999 -4.324 1.00 0.00 C ATOM 0 H ILE A 29 0.416 17.819 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 29 1.731 15.958 -0.757 1.00 0.00 H new ATOM 0 HB ILE A 29 1.870 16.408 -3.769 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.037 14.524 -2.287 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.421 16.190 -2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.306 13.995 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.562 14.850 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.305 13.922 -2.094 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.330 14.717 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.156 15.850 -4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.309 14.159 -4.695 1.00 0.00 H new ATOM 462 N GLN A 30 3.683 17.992 -2.491 1.00 0.00 N ATOM 463 CA GLN A 30 5.052 18.473 -2.763 1.00 0.00 C ATOM 464 C GLN A 30 5.800 18.819 -1.485 1.00 0.00 C ATOM 465 O GLN A 30 6.965 18.462 -1.318 1.00 0.00 O ATOM 466 CB GLN A 30 5.008 19.737 -3.650 1.00 0.00 C ATOM 467 CG GLN A 30 4.352 19.537 -4.985 1.00 0.00 C ATOM 468 CD GLN A 30 4.884 18.333 -5.729 1.00 0.00 C ATOM 469 OE1 GLN A 30 4.249 17.193 -5.527 1.00 0.00 O flip ATOM 470 NE2 GLN A 30 5.857 18.426 -6.475 1.00 0.00 N flip ATOM 0 H GLN A 30 2.971 18.495 -3.021 1.00 0.00 H new ATOM 0 HA GLN A 30 5.575 17.662 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.478 20.524 -3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.027 20.090 -3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.277 19.424 -4.842 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.500 20.429 -5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.318 19.327 -6.602 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.203 17.602 -6.967 1.00 0.00 H new ATOM 479 N LYS A 31 5.123 19.507 -0.591 1.00 0.00 N ATOM 480 CA LYS A 31 5.734 19.946 0.655 1.00 0.00 C ATOM 481 C LYS A 31 6.000 18.759 1.558 1.00 0.00 C ATOM 482 O LYS A 31 6.955 18.744 2.332 1.00 0.00 O ATOM 483 CB LYS A 31 4.852 20.941 1.378 1.00 0.00 C ATOM 484 CG LYS A 31 4.840 22.336 0.746 1.00 0.00 C ATOM 485 CD LYS A 31 4.155 22.352 -0.609 1.00 0.00 C ATOM 486 CE LYS A 31 5.124 22.576 -1.759 1.00 0.00 C ATOM 487 NZ LYS A 31 5.449 24.015 -1.935 1.00 0.00 N ATOM 0 H LYS A 31 4.146 19.778 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 31 6.677 20.434 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.833 20.556 1.404 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.187 21.024 2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.332 23.031 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.865 22.691 0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.634 21.406 -0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.399 23.137 -0.619 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.041 22.016 -1.576 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.691 22.186 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.112 24.127 -2.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.577 24.546 -2.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.885 24.381 -1.065 1.00 0.00 H new ATOM 501 N GLY A 32 5.146 17.761 1.441 1.00 0.00 N ATOM 502 CA GLY A 32 5.230 16.615 2.302 1.00 0.00 C ATOM 503 C GLY A 32 5.402 15.319 1.532 1.00 0.00 C ATOM 504 O GLY A 32 4.951 14.267 1.977 1.00 0.00 O ATOM 0 H GLY A 32 4.390 17.728 0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.068 16.740 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.328 16.555 2.910 1.00 0.00 H new ATOM 508 N LYS A 33 6.027 15.400 0.364 1.00 0.00 N ATOM 509 CA LYS A 33 6.088 14.263 -0.551 1.00 0.00 C ATOM 510 C LYS A 33 7.156 13.263 -0.129 1.00 0.00 C ATOM 511 O LYS A 33 7.043 12.064 -0.370 1.00 0.00 O ATOM 512 CB LYS A 33 6.369 14.736 -1.971 1.00 0.00 C ATOM 513 CG LYS A 33 7.711 15.383 -2.134 1.00 0.00 C ATOM 514 CD LYS A 33 7.926 15.841 -3.553 1.00 0.00 C ATOM 515 CE LYS A 33 9.398 16.063 -3.853 1.00 0.00 C ATOM 516 NZ LYS A 33 10.028 17.001 -2.889 1.00 0.00 N ATOM 0 H LYS A 33 6.499 16.239 0.027 1.00 0.00 H new ATOM 0 HA LYS A 33 5.118 13.766 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.301 13.885 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.595 15.444 -2.269 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.792 16.234 -1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.494 14.678 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.522 15.098 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.376 16.766 -3.724 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.922 15.108 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 33 9.507 16.455 -4.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.003 17.204 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.484 17.887 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.039 16.570 -1.942 1.00 0.00 H new ATOM 530 N ASP A 34 8.178 13.773 0.534 1.00 0.00 N ATOM 531 CA ASP A 34 9.385 12.993 0.818 1.00 0.00 C ATOM 532 C ASP A 34 9.274 12.272 2.156 1.00 0.00 C ATOM 533 O ASP A 34 10.208 12.278 2.962 1.00 0.00 O ATOM 534 CB ASP A 34 10.618 13.904 0.855 1.00 0.00 C ATOM 535 CG ASP A 34 10.740 14.812 -0.352 1.00 0.00 C ATOM 536 OD1 ASP A 34 11.367 14.409 -1.348 1.00 0.00 O ATOM 537 OD2 ASP A 34 10.222 15.950 -0.297 1.00 0.00 O ATOM 0 H ASP A 34 8.203 14.728 0.891 1.00 0.00 H new ATOM 0 HA ASP A 34 9.489 12.257 0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 34 10.580 14.516 1.756 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.513 13.286 0.926 1.00 0.00 H new ATOM 542 N ILE A 35 8.127 11.660 2.388 1.00 0.00 N ATOM 543 CA ILE A 35 7.908 10.886 3.590 1.00 0.00 C ATOM 544 C ILE A 35 8.223 9.414 3.349 1.00 0.00 C ATOM 545 O ILE A 35 7.673 8.788 2.445 1.00 0.00 O ATOM 546 CB ILE A 35 6.462 11.022 4.081 1.00 0.00 C ATOM 547 CG1 ILE A 35 6.064 12.487 4.107 1.00 0.00 C ATOM 548 CG2 ILE A 35 6.320 10.435 5.474 1.00 0.00 C ATOM 549 CD1 ILE A 35 6.954 13.298 4.990 1.00 0.00 C ATOM 0 H ILE A 35 7.329 11.686 1.753 1.00 0.00 H new ATOM 0 HA ILE A 35 8.578 11.277 4.356 1.00 0.00 H new ATOM 0 HB ILE A 35 5.809 10.478 3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.096 12.889 3.094 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.034 12.576 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.288 10.539 5.809 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.590 9.379 5.453 1.00 0.00 H new ATOM 0 HG23 ILE A 35 6.980 10.965 6.161 1.00 0.00 H new ATOM 0 HD11 ILE A 35 6.630 14.339 4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 35 6.902 12.915 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.981 13.233 4.630 1.00 0.00 H new ATOM 561 N LYS A 36 9.117 8.877 4.158 1.00 0.00 N ATOM 562 CA LYS A 36 9.495 7.476 4.070 1.00 0.00 C ATOM 563 C LYS A 36 8.930 6.724 5.263 1.00 0.00 C ATOM 564 O LYS A 36 9.481 6.774 6.362 1.00 0.00 O ATOM 565 CB LYS A 36 11.011 7.347 4.009 1.00 0.00 C ATOM 566 CG LYS A 36 11.589 7.917 2.730 1.00 0.00 C ATOM 567 CD LYS A 36 13.100 7.887 2.743 1.00 0.00 C ATOM 568 CE LYS A 36 13.662 8.823 3.799 1.00 0.00 C ATOM 569 NZ LYS A 36 15.118 9.054 3.622 1.00 0.00 N ATOM 0 H LYS A 36 9.600 9.395 4.892 1.00 0.00 H new ATOM 0 HA LYS A 36 9.084 7.042 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 36 11.451 7.861 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.287 6.296 4.092 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.220 7.347 1.877 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.246 8.943 2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.444 6.871 2.935 1.00 0.00 H new ATOM 0 HD3 LYS A 36 13.480 8.172 1.762 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.136 9.777 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.479 8.404 4.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.460 9.698 4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 15.624 8.148 3.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 15.291 9.478 2.688 1.00 0.00 H new ATOM 583 N GLY A 37 7.815 6.047 5.041 1.00 0.00 N ATOM 584 CA GLY A 37 7.123 5.387 6.124 1.00 0.00 C ATOM 585 C GLY A 37 7.593 3.967 6.345 1.00 0.00 C ATOM 586 O GLY A 37 8.469 3.479 5.635 1.00 0.00 O ATOM 0 H GLY A 37 7.376 5.943 4.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.266 5.958 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.053 5.382 5.915 1.00 0.00 H new ATOM 590 N VAL A 38 7.001 3.299 7.323 1.00 0.00 N ATOM 591 CA VAL A 38 7.386 1.936 7.662 1.00 0.00 C ATOM 592 C VAL A 38 6.161 1.039 7.568 1.00 0.00 C ATOM 593 O VAL A 38 5.045 1.500 7.791 1.00 0.00 O ATOM 594 CB VAL A 38 7.982 1.845 9.084 1.00 0.00 C ATOM 595 CG1 VAL A 38 8.737 0.544 9.270 1.00 0.00 C ATOM 596 CG2 VAL A 38 8.880 3.029 9.371 1.00 0.00 C ATOM 0 H VAL A 38 6.249 3.679 7.898 1.00 0.00 H new ATOM 0 HA VAL A 38 8.154 1.613 6.959 1.00 0.00 H new ATOM 0 HB VAL A 38 7.157 1.865 9.796 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.148 0.503 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 38 8.058 -0.295 9.120 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.549 0.488 8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 38 9.287 2.941 10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.697 3.049 8.650 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.303 3.951 9.292 1.00 0.00 H new ATOM 606 N SER A 39 6.356 -0.216 7.203 1.00 0.00 N ATOM 607 CA SER A 39 5.241 -1.136 7.025 1.00 0.00 C ATOM 608 C SER A 39 5.444 -2.441 7.795 1.00 0.00 C ATOM 609 O SER A 39 6.428 -3.136 7.604 1.00 0.00 O ATOM 610 CB SER A 39 5.050 -1.429 5.536 1.00 0.00 C ATOM 611 OG SER A 39 4.924 -0.223 4.800 1.00 0.00 O ATOM 0 H SER A 39 7.274 -0.623 7.024 1.00 0.00 H new ATOM 0 HA SER A 39 4.347 -0.658 7.427 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.898 -2.003 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.161 -2.043 5.392 1.00 0.00 H new ATOM 0 HG SER A 39 5.781 -0.007 4.376 1.00 0.00 H new ATOM 617 N GLU A 40 4.498 -2.772 8.658 1.00 0.00 N ATOM 618 CA GLU A 40 4.544 -4.013 9.411 1.00 0.00 C ATOM 619 C GLU A 40 3.366 -4.889 9.045 1.00 0.00 C ATOM 620 O GLU A 40 2.219 -4.509 9.202 1.00 0.00 O ATOM 621 CB GLU A 40 4.504 -3.746 10.903 1.00 0.00 C ATOM 622 CG GLU A 40 5.598 -2.871 11.407 1.00 0.00 C ATOM 623 CD GLU A 40 5.291 -1.395 11.285 1.00 0.00 C ATOM 624 OE1 GLU A 40 4.137 -0.999 11.554 1.00 0.00 O ATOM 625 OE2 GLU A 40 6.211 -0.631 10.935 1.00 0.00 O ATOM 0 H GLU A 40 3.682 -2.192 8.855 1.00 0.00 H new ATOM 0 HA GLU A 40 5.478 -4.517 9.161 1.00 0.00 H new ATOM 0 HB2 GLU A 40 3.547 -3.287 11.151 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.547 -4.699 11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.791 -3.109 12.453 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.512 -3.091 10.856 1.00 0.00 H new ATOM 632 N ILE A 41 3.656 -6.075 8.612 1.00 0.00 N ATOM 633 CA ILE A 41 2.640 -6.961 8.078 1.00 0.00 C ATOM 634 C ILE A 41 2.574 -8.248 8.871 1.00 0.00 C ATOM 635 O ILE A 41 3.593 -8.734 9.358 1.00 0.00 O ATOM 636 CB ILE A 41 2.903 -7.302 6.606 1.00 0.00 C ATOM 637 CG1 ILE A 41 3.135 -6.028 5.809 1.00 0.00 C ATOM 638 CG2 ILE A 41 1.723 -8.078 6.031 1.00 0.00 C ATOM 639 CD1 ILE A 41 3.815 -6.287 4.494 1.00 0.00 C ATOM 0 H ILE A 41 4.598 -6.467 8.613 1.00 0.00 H new ATOM 0 HA ILE A 41 1.690 -6.432 8.155 1.00 0.00 H new ATOM 0 HB ILE A 41 3.796 -7.923 6.540 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.179 -5.537 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.741 -5.340 6.398 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.919 -8.316 4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.586 -9.001 6.594 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.820 -7.472 6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.956 -5.344 3.966 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.784 -6.753 4.671 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.198 -6.952 3.890 1.00 0.00 H new ATOM 651 N VAL A 42 1.370 -8.744 9.071 1.00 0.00 N ATOM 652 CA VAL A 42 1.177 -10.097 9.564 1.00 0.00 C ATOM 653 C VAL A 42 0.618 -10.982 8.445 1.00 0.00 C ATOM 654 O VAL A 42 -0.454 -10.692 7.910 1.00 0.00 O ATOM 655 CB VAL A 42 0.229 -10.130 10.780 1.00 0.00 C ATOM 656 CG1 VAL A 42 -0.023 -11.562 11.230 1.00 0.00 C ATOM 657 CG2 VAL A 42 0.815 -9.314 11.920 1.00 0.00 C ATOM 0 H VAL A 42 0.506 -8.230 8.900 1.00 0.00 H new ATOM 0 HA VAL A 42 2.146 -10.477 9.886 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.725 -9.693 10.486 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.694 -11.561 12.089 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.478 -12.125 10.415 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.922 -12.027 11.509 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.138 -9.343 12.774 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.780 -9.731 12.207 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.948 -8.281 11.598 1.00 0.00 H new ATOM 667 N HIS A 43 1.345 -12.039 8.067 1.00 0.00 N ATOM 668 CA HIS A 43 0.806 -12.999 7.112 1.00 0.00 C ATOM 669 C HIS A 43 0.131 -14.142 7.855 1.00 0.00 C ATOM 670 O HIS A 43 0.774 -14.954 8.520 1.00 0.00 O ATOM 671 CB HIS A 43 1.898 -13.582 6.181 1.00 0.00 C ATOM 672 CG HIS A 43 1.373 -14.659 5.266 1.00 0.00 C ATOM 673 ND1 HIS A 43 1.840 -15.955 5.282 1.00 0.00 N ATOM 674 CD2 HIS A 43 0.405 -14.626 4.313 1.00 0.00 C ATOM 675 CE1 HIS A 43 1.191 -16.670 4.381 1.00 0.00 C ATOM 676 NE2 HIS A 43 0.314 -15.889 3.781 1.00 0.00 N ATOM 0 H HIS A 43 2.286 -12.245 8.401 1.00 0.00 H new ATOM 0 HA HIS A 43 0.086 -12.464 6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.324 -12.778 5.581 1.00 0.00 H new ATOM 0 HB3 HIS A 43 2.706 -13.990 6.788 1.00 0.00 H new ATOM 0 HD1 HIS A 43 2.574 -16.308 5.896 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -0.183 -13.767 4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 43 1.351 -17.717 4.171 1.00 0.00 H new ATOM 685 N GLU A 44 -1.173 -14.184 7.696 1.00 0.00 N ATOM 686 CA GLU A 44 -2.020 -15.244 8.199 1.00 0.00 C ATOM 687 C GLU A 44 -2.769 -15.808 7.010 1.00 0.00 C ATOM 688 O GLU A 44 -3.034 -15.067 6.066 1.00 0.00 O ATOM 689 CB GLU A 44 -3.010 -14.708 9.236 1.00 0.00 C ATOM 690 CG GLU A 44 -2.380 -14.252 10.530 1.00 0.00 C ATOM 691 CD GLU A 44 -1.716 -15.379 11.292 1.00 0.00 C ATOM 692 OE1 GLU A 44 -2.439 -16.216 11.873 1.00 0.00 O ATOM 693 OE2 GLU A 44 -0.470 -15.436 11.328 1.00 0.00 O ATOM 0 H GLU A 44 -1.690 -13.459 7.198 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.420 -16.010 8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.557 -13.872 8.799 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.741 -15.486 9.457 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.641 -13.480 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.144 -13.796 11.159 1.00 0.00 H new ATOM 700 N GLY A 45 -3.002 -17.114 6.998 1.00 0.00 N ATOM 701 CA GLY A 45 -3.779 -17.725 5.925 1.00 0.00 C ATOM 702 C GLY A 45 -4.993 -16.887 5.538 1.00 0.00 C ATOM 703 O GLY A 45 -5.967 -16.801 6.291 1.00 0.00 O ATOM 0 H GLY A 45 -2.669 -17.765 7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.142 -17.862 5.051 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.109 -18.716 6.238 1.00 0.00 H new ATOM 707 N LYS A 46 -4.892 -16.254 4.364 1.00 0.00 N ATOM 708 CA LYS A 46 -5.904 -15.336 3.804 1.00 0.00 C ATOM 709 C LYS A 46 -5.965 -13.996 4.542 1.00 0.00 C ATOM 710 O LYS A 46 -6.382 -12.992 3.970 1.00 0.00 O ATOM 711 CB LYS A 46 -7.304 -15.948 3.742 1.00 0.00 C ATOM 712 CG LYS A 46 -7.319 -17.432 3.456 1.00 0.00 C ATOM 713 CD LYS A 46 -8.726 -17.974 3.429 1.00 0.00 C ATOM 714 CE LYS A 46 -9.216 -18.144 4.843 1.00 0.00 C ATOM 715 NZ LYS A 46 -8.767 -19.432 5.436 1.00 0.00 N ATOM 0 H LYS A 46 -4.081 -16.366 3.755 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.568 -15.154 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.810 -15.767 4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.879 -15.435 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.835 -17.624 2.498 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.740 -17.956 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.380 -17.294 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.751 -18.929 2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.854 -17.317 5.454 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.305 -18.098 4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.125 -19.510 6.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.134 -20.222 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.728 -19.466 5.446 1.00 0.00 H new ATOM 729 N LYS A 47 -5.537 -13.978 5.788 1.00 0.00 N ATOM 730 CA LYS A 47 -5.652 -12.789 6.624 1.00 0.00 C ATOM 731 C LYS A 47 -4.350 -11.989 6.598 1.00 0.00 C ATOM 732 O LYS A 47 -3.337 -12.418 7.145 1.00 0.00 O ATOM 733 CB LYS A 47 -5.967 -13.193 8.070 1.00 0.00 C ATOM 734 CG LYS A 47 -7.194 -14.060 8.235 1.00 0.00 C ATOM 735 CD LYS A 47 -8.475 -13.298 7.982 1.00 0.00 C ATOM 736 CE LYS A 47 -9.631 -14.260 7.826 1.00 0.00 C ATOM 737 NZ LYS A 47 -10.900 -13.566 7.475 1.00 0.00 N ATOM 0 H LYS A 47 -5.103 -14.776 6.251 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.460 -12.171 6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.107 -13.724 8.479 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.096 -12.289 8.665 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.134 -14.904 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -7.212 -14.471 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.670 -12.615 8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.374 -12.690 7.083 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.392 -14.989 7.052 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.767 -14.814 8.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.503 -14.205 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.398 -13.291 8.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -10.687 -12.716 6.915 1.00 0.00 H new ATOM 751 N VAL A 48 -4.369 -10.830 5.964 1.00 0.00 N ATOM 752 CA VAL A 48 -3.178 -10.004 5.888 1.00 0.00 C ATOM 753 C VAL A 48 -3.416 -8.626 6.487 1.00 0.00 C ATOM 754 O VAL A 48 -4.330 -7.900 6.094 1.00 0.00 O ATOM 755 CB VAL A 48 -2.682 -9.877 4.435 1.00 0.00 C ATOM 756 CG1 VAL A 48 -1.575 -8.838 4.301 1.00 0.00 C ATOM 757 CG2 VAL A 48 -2.226 -11.235 3.926 1.00 0.00 C ATOM 0 H VAL A 48 -5.189 -10.442 5.498 1.00 0.00 H new ATOM 0 HA VAL A 48 -2.404 -10.499 6.475 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.513 -9.530 3.821 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.254 -8.780 3.261 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.949 -7.865 4.620 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.729 -9.125 4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.876 -11.140 2.898 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.414 -11.605 4.553 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.060 -11.936 3.962 1.00 0.00 H new ATOM 767 N LYS A 49 -2.587 -8.291 7.459 1.00 0.00 N ATOM 768 CA LYS A 49 -2.615 -6.989 8.083 1.00 0.00 C ATOM 769 C LYS A 49 -1.346 -6.252 7.724 1.00 0.00 C ATOM 770 O LYS A 49 -0.251 -6.732 7.999 1.00 0.00 O ATOM 771 CB LYS A 49 -2.671 -7.129 9.588 1.00 0.00 C ATOM 772 CG LYS A 49 -3.772 -8.026 10.105 1.00 0.00 C ATOM 773 CD LYS A 49 -3.455 -8.539 11.504 1.00 0.00 C ATOM 774 CE LYS A 49 -4.669 -9.172 12.162 1.00 0.00 C ATOM 775 NZ LYS A 49 -5.547 -8.149 12.789 1.00 0.00 N ATOM 0 H LYS A 49 -1.876 -8.918 7.836 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.495 -6.447 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.714 -7.515 9.938 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.794 -6.138 10.026 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.714 -7.478 10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.906 -8.869 9.427 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.649 -9.271 11.449 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -3.096 -7.715 12.120 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.236 -9.732 11.419 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.343 -9.886 12.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -5.545 -8.276 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.194 -7.199 12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.517 -8.256 12.429 1.00 0.00 H new ATOM 789 N LEU A 50 -1.489 -5.096 7.135 1.00 0.00 N ATOM 790 CA LEU A 50 -0.344 -4.286 6.762 1.00 0.00 C ATOM 791 C LEU A 50 -0.376 -3.021 7.574 1.00 0.00 C ATOM 792 O LEU A 50 -1.341 -2.277 7.514 1.00 0.00 O ATOM 793 CB LEU A 50 -0.383 -3.964 5.265 1.00 0.00 C ATOM 794 CG LEU A 50 0.951 -3.623 4.598 1.00 0.00 C ATOM 795 CD1 LEU A 50 0.748 -3.313 3.135 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.618 -2.469 5.286 1.00 0.00 C ATOM 0 H LEU A 50 -2.392 -4.685 6.898 1.00 0.00 H new ATOM 0 HA LEU A 50 0.579 -4.831 6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.814 -4.819 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.062 -3.124 5.116 1.00 0.00 H new ATOM 0 HG LEU A 50 1.601 -4.493 4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.708 -3.073 2.677 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.315 -4.180 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.075 -2.462 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.564 -2.248 4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.970 -1.593 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.805 -2.726 6.329 1.00 0.00 H new ATOM 808 N THR A 51 0.667 -2.767 8.325 1.00 0.00 N ATOM 809 CA THR A 51 0.700 -1.578 9.124 1.00 0.00 C ATOM 810 C THR A 51 1.655 -0.600 8.490 1.00 0.00 C ATOM 811 O THR A 51 2.791 -0.923 8.233 1.00 0.00 O ATOM 812 CB THR A 51 1.126 -1.889 10.572 1.00 0.00 C ATOM 813 OG1 THR A 51 0.521 -3.122 10.987 1.00 0.00 O ATOM 814 CG2 THR A 51 0.702 -0.775 11.517 1.00 0.00 C ATOM 0 H THR A 51 1.492 -3.362 8.397 1.00 0.00 H new ATOM 0 HA THR A 51 -0.300 -1.147 9.168 1.00 0.00 H new ATOM 0 HB THR A 51 2.212 -1.972 10.604 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.974 -3.872 10.549 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.015 -1.020 12.532 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.169 0.161 11.209 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.382 -0.666 11.488 1.00 0.00 H new ATOM 822 N ILE A 52 1.186 0.582 8.224 1.00 0.00 N ATOM 823 CA ILE A 52 1.943 1.531 7.461 1.00 0.00 C ATOM 824 C ILE A 52 1.982 2.847 8.208 1.00 0.00 C ATOM 825 O ILE A 52 0.958 3.421 8.540 1.00 0.00 O ATOM 826 CB ILE A 52 1.286 1.649 6.078 1.00 0.00 C ATOM 827 CG1 ILE A 52 1.990 0.769 5.063 1.00 0.00 C ATOM 828 CG2 ILE A 52 1.230 3.079 5.598 1.00 0.00 C ATOM 829 CD1 ILE A 52 1.384 0.882 3.690 1.00 0.00 C ATOM 0 H ILE A 52 0.271 0.916 8.528 1.00 0.00 H new ATOM 0 HA ILE A 52 2.977 1.215 7.322 1.00 0.00 H new ATOM 0 HB ILE A 52 0.259 1.300 6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.044 1.044 5.016 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.946 -0.269 5.393 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.758 3.115 4.616 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.650 3.677 6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.241 3.479 5.529 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.923 0.233 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.337 0.581 3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.452 1.914 3.346 1.00 0.00 H new ATOM 841 N THR A 53 3.173 3.295 8.497 1.00 0.00 N ATOM 842 CA THR A 53 3.367 4.476 9.289 1.00 0.00 C ATOM 843 C THR A 53 3.767 5.626 8.378 1.00 0.00 C ATOM 844 O THR A 53 4.681 5.489 7.574 1.00 0.00 O ATOM 845 CB THR A 53 4.482 4.210 10.317 1.00 0.00 C ATOM 846 OG1 THR A 53 4.218 2.989 11.028 1.00 0.00 O ATOM 847 CG2 THR A 53 4.598 5.350 11.294 1.00 0.00 C ATOM 0 H THR A 53 4.037 2.850 8.189 1.00 0.00 H new ATOM 0 HA THR A 53 2.446 4.735 9.811 1.00 0.00 H new ATOM 0 HB THR A 53 5.425 4.119 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.933 2.828 11.678 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.393 5.137 12.009 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.831 6.268 10.755 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.654 5.471 11.826 1.00 0.00 H new ATOM 855 N TYR A 54 3.081 6.742 8.501 1.00 0.00 N ATOM 856 CA TYR A 54 3.408 7.927 7.741 1.00 0.00 C ATOM 857 C TYR A 54 3.827 9.022 8.705 1.00 0.00 C ATOM 858 O TYR A 54 2.989 9.598 9.398 1.00 0.00 O ATOM 859 CB TYR A 54 2.192 8.364 6.909 1.00 0.00 C ATOM 860 CG TYR A 54 2.354 9.701 6.218 1.00 0.00 C ATOM 861 CD1 TYR A 54 2.031 10.883 6.873 1.00 0.00 C ATOM 862 CD2 TYR A 54 2.824 9.779 4.916 1.00 0.00 C ATOM 863 CE1 TYR A 54 2.176 12.106 6.252 1.00 0.00 C ATOM 864 CE2 TYR A 54 2.969 10.999 4.285 1.00 0.00 C ATOM 865 CZ TYR A 54 2.644 12.160 4.957 1.00 0.00 C ATOM 866 OH TYR A 54 2.786 13.377 4.329 1.00 0.00 O ATOM 0 H TYR A 54 2.284 6.852 9.128 1.00 0.00 H new ATOM 0 HA TYR A 54 4.229 7.721 7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.990 7.602 6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.319 8.409 7.560 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.660 10.843 7.886 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.080 8.873 4.388 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.924 13.015 6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.335 11.044 3.270 1.00 0.00 H new ATOM 0 HH TYR A 54 3.128 13.239 3.421 1.00 0.00 H new ATOM 876 N GLY A 55 5.123 9.303 8.738 1.00 0.00 N ATOM 877 CA GLY A 55 5.652 10.288 9.658 1.00 0.00 C ATOM 878 C GLY A 55 5.270 10.002 11.101 1.00 0.00 C ATOM 879 O GLY A 55 5.875 9.153 11.759 1.00 0.00 O ATOM 0 H GLY A 55 5.821 8.862 8.139 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.738 10.314 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.286 11.276 9.378 1.00 0.00 H new ATOM 883 N SER A 56 4.255 10.705 11.580 1.00 0.00 N ATOM 884 CA SER A 56 3.772 10.559 12.945 1.00 0.00 C ATOM 885 C SER A 56 2.612 9.567 13.008 1.00 0.00 C ATOM 886 O SER A 56 2.401 8.891 14.013 1.00 0.00 O ATOM 887 CB SER A 56 3.281 11.916 13.445 1.00 0.00 C ATOM 888 OG SER A 56 2.919 11.873 14.817 1.00 0.00 O ATOM 0 H SER A 56 3.741 11.395 11.032 1.00 0.00 H new ATOM 0 HA SER A 56 4.588 10.189 13.565 1.00 0.00 H new ATOM 0 HB2 SER A 56 4.062 12.662 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.423 12.233 12.852 1.00 0.00 H new ATOM 0 HG SER A 56 2.611 12.759 15.102 1.00 0.00 H new ATOM 894 N LYS A 57 1.880 9.480 11.915 1.00 0.00 N ATOM 895 CA LYS A 57 0.588 8.822 11.894 1.00 0.00 C ATOM 896 C LYS A 57 0.643 7.484 11.156 1.00 0.00 C ATOM 897 O LYS A 57 1.067 7.414 10.011 1.00 0.00 O ATOM 898 CB LYS A 57 -0.416 9.782 11.253 1.00 0.00 C ATOM 899 CG LYS A 57 -1.569 9.121 10.518 1.00 0.00 C ATOM 900 CD LYS A 57 -2.641 8.620 11.451 1.00 0.00 C ATOM 901 CE LYS A 57 -3.310 9.756 12.187 1.00 0.00 C ATOM 902 NZ LYS A 57 -4.646 9.374 12.711 1.00 0.00 N ATOM 0 H LYS A 57 2.165 9.864 11.014 1.00 0.00 H new ATOM 0 HA LYS A 57 0.277 8.585 12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.825 10.427 12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.118 10.426 10.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.006 9.834 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.188 8.288 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.387 8.063 10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.204 7.927 12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.675 10.075 13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.415 10.609 11.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.068 10.184 13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.262 9.094 11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.545 8.577 13.371 1.00 0.00 H new ATOM 916 N VAL A 58 0.209 6.429 11.828 1.00 0.00 N ATOM 917 CA VAL A 58 0.201 5.097 11.256 1.00 0.00 C ATOM 918 C VAL A 58 -1.180 4.737 10.753 1.00 0.00 C ATOM 919 O VAL A 58 -2.166 4.790 11.489 1.00 0.00 O ATOM 920 CB VAL A 58 0.646 4.054 12.295 1.00 0.00 C ATOM 921 CG1 VAL A 58 0.841 2.690 11.658 1.00 0.00 C ATOM 922 CG2 VAL A 58 1.901 4.509 12.998 1.00 0.00 C ATOM 0 H VAL A 58 -0.146 6.475 12.783 1.00 0.00 H new ATOM 0 HA VAL A 58 0.901 5.094 10.420 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.146 3.958 13.038 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.155 1.975 12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.098 2.358 11.214 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.605 2.756 10.884 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.201 3.758 13.729 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.699 4.643 12.268 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.711 5.455 13.506 1.00 0.00 H new ATOM 932 N ILE A 59 -1.227 4.366 9.493 1.00 0.00 N ATOM 933 CA ILE A 59 -2.431 3.946 8.860 1.00 0.00 C ATOM 934 C ILE A 59 -2.220 2.558 8.255 1.00 0.00 C ATOM 935 O ILE A 59 -1.382 2.335 7.385 1.00 0.00 O ATOM 936 CB ILE A 59 -2.892 5.027 7.861 1.00 0.00 C ATOM 937 CG1 ILE A 59 -4.219 5.605 8.329 1.00 0.00 C ATOM 938 CG2 ILE A 59 -2.974 4.506 6.451 1.00 0.00 C ATOM 939 CD1 ILE A 59 -4.637 6.844 7.580 1.00 0.00 C ATOM 0 H ILE A 59 -0.411 4.352 8.881 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.248 3.841 9.574 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.145 5.820 7.839 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -4.994 4.846 8.220 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.149 5.839 9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.303 5.305 5.786 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.992 4.153 6.136 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.687 3.682 6.408 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.592 7.199 7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.882 7.619 7.709 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.740 6.611 6.520 1.00 0.00 H new ATOM 951 N HIS A 60 -2.942 1.609 8.810 1.00 0.00 N ATOM 952 CA HIS A 60 -2.767 0.200 8.473 1.00 0.00 C ATOM 953 C HIS A 60 -3.939 -0.354 7.681 1.00 0.00 C ATOM 954 O HIS A 60 -5.070 0.090 7.831 1.00 0.00 O ATOM 955 CB HIS A 60 -2.541 -0.630 9.732 1.00 0.00 C ATOM 956 CG HIS A 60 -3.621 -0.517 10.773 1.00 0.00 C ATOM 957 ND1 HIS A 60 -4.918 -0.124 10.495 1.00 0.00 N ATOM 958 CD2 HIS A 60 -3.582 -0.753 12.104 1.00 0.00 C ATOM 959 CE1 HIS A 60 -5.626 -0.129 11.610 1.00 0.00 C ATOM 960 NE2 HIS A 60 -4.837 -0.507 12.600 1.00 0.00 N ATOM 0 H HIS A 60 -3.667 1.784 9.506 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.884 0.133 7.837 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.442 -1.677 9.445 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.593 -0.331 10.180 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -5.272 0.130 9.573 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.722 -1.076 12.672 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -6.671 0.131 11.697 1.00 0.00 H new ATOM 969 N ASN A 61 -3.654 -1.322 6.832 1.00 0.00 N ATOM 970 CA ASN A 61 -4.651 -1.870 5.928 1.00 0.00 C ATOM 971 C ASN A 61 -4.858 -3.341 6.249 1.00 0.00 C ATOM 972 O ASN A 61 -3.971 -4.163 6.007 1.00 0.00 O ATOM 973 CB ASN A 61 -4.203 -1.711 4.466 1.00 0.00 C ATOM 974 CG ASN A 61 -3.493 -0.388 4.184 1.00 0.00 C ATOM 975 OD1 ASN A 61 -3.837 0.663 4.920 1.00 0.00 O flip ATOM 976 ND2 ASN A 61 -2.629 -0.319 3.312 1.00 0.00 N flip ATOM 0 H ASN A 61 -2.732 -1.750 6.748 1.00 0.00 H new ATOM 0 HA ASN A 61 -5.587 -1.328 6.059 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.536 -2.534 4.208 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -5.075 -1.791 3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -2.389 -1.146 2.765 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -2.152 0.565 3.136 1.00 0.00 H new ATOM 983 N GLU A 62 -5.999 -3.673 6.829 1.00 0.00 N ATOM 984 CA GLU A 62 -6.290 -5.052 7.168 1.00 0.00 C ATOM 985 C GLU A 62 -7.303 -5.628 6.207 1.00 0.00 C ATOM 986 O GLU A 62 -8.386 -5.073 6.017 1.00 0.00 O ATOM 987 CB GLU A 62 -6.787 -5.163 8.602 1.00 0.00 C ATOM 988 CG GLU A 62 -5.723 -4.784 9.608 1.00 0.00 C ATOM 989 CD GLU A 62 -6.144 -5.042 11.039 1.00 0.00 C ATOM 990 OE1 GLU A 62 -7.256 -4.630 11.426 1.00 0.00 O ATOM 991 OE2 GLU A 62 -5.358 -5.657 11.790 1.00 0.00 O ATOM 0 H GLU A 62 -6.734 -3.009 7.073 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.368 -5.627 7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.656 -4.518 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.117 -6.184 8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.813 -5.346 9.396 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.480 -3.728 9.491 1.00 0.00 H new ATOM 998 N PHE A 63 -6.942 -6.741 5.606 1.00 0.00 N ATOM 999 CA PHE A 63 -7.786 -7.360 4.601 1.00 0.00 C ATOM 1000 C PHE A 63 -7.604 -8.873 4.533 1.00 0.00 C ATOM 1001 O PHE A 63 -6.556 -9.410 4.891 1.00 0.00 O ATOM 1002 CB PHE A 63 -7.549 -6.714 3.232 1.00 0.00 C ATOM 1003 CG PHE A 63 -6.105 -6.563 2.839 1.00 0.00 C ATOM 1004 CD1 PHE A 63 -5.296 -7.663 2.602 1.00 0.00 C ATOM 1005 CD2 PHE A 63 -5.566 -5.302 2.708 1.00 0.00 C ATOM 1006 CE1 PHE A 63 -3.972 -7.499 2.238 1.00 0.00 C ATOM 1007 CE2 PHE A 63 -4.245 -5.129 2.345 1.00 0.00 C ATOM 1008 CZ PHE A 63 -3.447 -6.229 2.109 1.00 0.00 C ATOM 0 H PHE A 63 -6.071 -7.237 5.794 1.00 0.00 H new ATOM 0 HA PHE A 63 -8.820 -7.186 4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.055 -7.311 2.473 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.016 -5.729 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.704 -8.658 2.703 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.185 -4.437 2.892 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -3.350 -8.363 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.837 -4.134 2.246 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.414 -6.097 1.824 1.00 0.00 H new ATOM 1018 N THR A 64 -8.655 -9.549 4.103 1.00 0.00 N ATOM 1019 CA THR A 64 -8.622 -10.977 3.847 1.00 0.00 C ATOM 1020 C THR A 64 -8.754 -11.209 2.351 1.00 0.00 C ATOM 1021 O THR A 64 -9.555 -10.541 1.698 1.00 0.00 O ATOM 1022 CB THR A 64 -9.766 -11.709 4.565 1.00 0.00 C ATOM 1023 OG1 THR A 64 -9.826 -11.291 5.932 1.00 0.00 O ATOM 1024 CG2 THR A 64 -9.566 -13.218 4.509 1.00 0.00 C ATOM 0 H THR A 64 -9.562 -9.119 3.921 1.00 0.00 H new ATOM 0 HA THR A 64 -7.677 -11.369 4.224 1.00 0.00 H new ATOM 0 HB THR A 64 -10.699 -11.461 4.060 1.00 0.00 H new ATOM 0 HG1 THR A 64 -10.727 -10.961 6.134 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.389 -13.713 5.024 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.541 -13.543 3.469 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.625 -13.479 4.994 1.00 0.00 H new ATOM 1032 N LEU A 65 -7.927 -12.089 1.798 1.00 0.00 N ATOM 1033 CA LEU A 65 -8.049 -12.438 0.379 1.00 0.00 C ATOM 1034 C LEU A 65 -9.491 -12.790 0.007 1.00 0.00 C ATOM 1035 O LEU A 65 -10.230 -13.379 0.801 1.00 0.00 O ATOM 1036 CB LEU A 65 -7.101 -13.584 -0.026 1.00 0.00 C ATOM 1037 CG LEU A 65 -7.221 -14.907 0.731 1.00 0.00 C ATOM 1038 CD1 LEU A 65 -8.454 -15.657 0.296 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -5.999 -15.761 0.487 1.00 0.00 C ATOM 0 H LEU A 65 -7.177 -12.569 2.296 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.754 -11.549 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.256 -13.789 -1.085 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.077 -13.227 0.083 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.299 -14.685 1.795 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.522 -16.596 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.338 -15.053 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.395 -15.866 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.097 -16.700 1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.907 -15.968 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -5.111 -15.232 0.832 1.00 0.00 H new ATOM 1051 N GLY A 66 -9.878 -12.403 -1.198 1.00 0.00 N ATOM 1052 CA GLY A 66 -11.197 -12.710 -1.709 1.00 0.00 C ATOM 1053 C GLY A 66 -12.298 -11.993 -0.957 1.00 0.00 C ATOM 1054 O GLY A 66 -13.462 -12.383 -1.037 1.00 0.00 O ATOM 0 H GLY A 66 -9.290 -11.872 -1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.246 -12.437 -2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.363 -13.786 -1.650 1.00 0.00 H new ATOM 1058 N GLU A 67 -11.940 -10.930 -0.245 1.00 0.00 N ATOM 1059 CA GLU A 67 -12.893 -10.232 0.602 1.00 0.00 C ATOM 1060 C GLU A 67 -12.875 -8.742 0.321 1.00 0.00 C ATOM 1061 O GLU A 67 -11.831 -8.182 -0.021 1.00 0.00 O ATOM 1062 CB GLU A 67 -12.573 -10.457 2.069 1.00 0.00 C ATOM 1063 CG GLU A 67 -12.735 -11.894 2.510 1.00 0.00 C ATOM 1064 CD GLU A 67 -14.106 -12.460 2.207 1.00 0.00 C ATOM 1065 OE1 GLU A 67 -15.110 -11.755 2.436 1.00 0.00 O ATOM 1066 OE2 GLU A 67 -14.185 -13.625 1.766 1.00 0.00 O ATOM 0 H GLU A 67 -10.999 -10.536 -0.239 1.00 0.00 H new ATOM 0 HA GLU A 67 -13.882 -10.631 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.548 -10.140 2.262 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -13.222 -9.824 2.675 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.979 -12.506 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -12.550 -11.961 3.582 1.00 0.00 H new ATOM 1073 N GLU A 68 -14.026 -8.101 0.451 1.00 0.00 N ATOM 1074 CA GLU A 68 -14.076 -6.655 0.411 1.00 0.00 C ATOM 1075 C GLU A 68 -13.661 -6.115 1.759 1.00 0.00 C ATOM 1076 O GLU A 68 -14.283 -6.391 2.785 1.00 0.00 O ATOM 1077 CB GLU A 68 -15.468 -6.148 0.081 1.00 0.00 C ATOM 1078 CG GLU A 68 -15.582 -4.631 0.007 1.00 0.00 C ATOM 1079 CD GLU A 68 -16.969 -4.192 -0.399 1.00 0.00 C ATOM 1080 OE1 GLU A 68 -17.834 -4.042 0.485 1.00 0.00 O ATOM 1081 OE2 GLU A 68 -17.202 -4.004 -1.610 1.00 0.00 O ATOM 0 H GLU A 68 -14.928 -8.558 0.584 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.399 -6.313 -0.372 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.779 -6.571 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.164 -6.517 0.834 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -15.334 -4.200 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -14.855 -4.246 -0.708 1.00 0.00 H new ATOM 1088 N CYS A 69 -12.599 -5.373 1.742 1.00 0.00 N ATOM 1089 CA CYS A 69 -12.063 -4.741 2.927 1.00 0.00 C ATOM 1090 C CYS A 69 -11.740 -3.332 2.592 1.00 0.00 C ATOM 1091 O CYS A 69 -11.428 -3.001 1.446 1.00 0.00 O ATOM 1092 CB CYS A 69 -10.825 -5.479 3.422 1.00 0.00 C ATOM 1093 SG CYS A 69 -11.079 -7.254 3.664 1.00 0.00 S ATOM 0 H CYS A 69 -12.064 -5.180 0.895 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.799 -4.772 3.731 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.016 -5.332 2.707 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.502 -5.036 4.364 1.00 0.00 H new ATOM 0 HG CYS A 69 -10.850 -7.560 4.907 1.00 0.00 H new ATOM 1099 N GLU A 70 -11.830 -2.504 3.583 1.00 0.00 N ATOM 1100 CA GLU A 70 -11.676 -1.108 3.367 1.00 0.00 C ATOM 1101 C GLU A 70 -10.234 -0.743 3.646 1.00 0.00 C ATOM 1102 O GLU A 70 -9.589 -1.272 4.555 1.00 0.00 O ATOM 1103 CB GLU A 70 -12.644 -0.318 4.238 1.00 0.00 C ATOM 1104 CG GLU A 70 -12.030 0.066 5.537 1.00 0.00 C ATOM 1105 CD GLU A 70 -13.035 0.392 6.617 1.00 0.00 C ATOM 1106 OE1 GLU A 70 -13.636 -0.546 7.182 1.00 0.00 O ATOM 1107 OE2 GLU A 70 -13.218 1.586 6.921 1.00 0.00 O ATOM 0 H GLU A 70 -12.010 -2.774 4.550 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.914 -0.855 2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.962 0.579 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.538 -0.914 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.393 -0.749 5.881 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -11.385 0.931 5.381 1.00 0.00 H new ATOM 1114 N LEU A 71 -9.742 0.116 2.815 1.00 0.00 N ATOM 1115 CA LEU A 71 -8.357 0.448 2.756 1.00 0.00 C ATOM 1116 C LEU A 71 -8.134 1.849 3.274 1.00 0.00 C ATOM 1117 O LEU A 71 -8.873 2.765 2.917 1.00 0.00 O ATOM 1118 CB LEU A 71 -7.942 0.361 1.291 1.00 0.00 C ATOM 1119 CG LEU A 71 -8.436 -0.891 0.569 1.00 0.00 C ATOM 1120 CD1 LEU A 71 -8.179 -0.808 -0.923 1.00 0.00 C ATOM 1121 CD2 LEU A 71 -7.746 -2.084 1.157 1.00 0.00 C ATOM 0 H LEU A 71 -10.311 0.622 2.137 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.768 -0.233 3.371 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.317 1.240 0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.854 0.395 1.231 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.514 -0.979 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.543 -1.715 -1.406 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.700 0.056 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.109 -0.705 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.088 -2.988 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.669 -1.982 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.979 -2.152 2.220 1.00 0.00 H new ATOM 1133 N GLU A 72 -7.136 2.024 4.114 1.00 0.00 N ATOM 1134 CA GLU A 72 -6.726 3.360 4.466 1.00 0.00 C ATOM 1135 C GLU A 72 -5.719 3.839 3.465 1.00 0.00 C ATOM 1136 O GLU A 72 -4.828 3.105 3.034 1.00 0.00 O ATOM 1137 CB GLU A 72 -6.131 3.473 5.861 1.00 0.00 C ATOM 1138 CG GLU A 72 -7.153 3.625 6.968 1.00 0.00 C ATOM 1139 CD GLU A 72 -7.591 2.305 7.564 1.00 0.00 C ATOM 1140 OE1 GLU A 72 -8.519 1.681 7.011 1.00 0.00 O ATOM 1141 OE2 GLU A 72 -7.029 1.907 8.606 1.00 0.00 O ATOM 0 H GLU A 72 -6.605 1.273 4.556 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.625 3.976 4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.529 2.586 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.456 4.329 5.886 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.734 4.250 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.027 4.147 6.577 1.00 0.00 H new ATOM 1148 N THR A 73 -5.881 5.071 3.098 1.00 0.00 N ATOM 1149 CA THR A 73 -5.044 5.673 2.102 1.00 0.00 C ATOM 1150 C THR A 73 -3.908 6.418 2.770 1.00 0.00 C ATOM 1151 O THR A 73 -3.946 6.634 3.981 1.00 0.00 O ATOM 1152 CB THR A 73 -5.863 6.619 1.217 1.00 0.00 C ATOM 1153 OG1 THR A 73 -6.762 7.381 2.033 1.00 0.00 O ATOM 1154 CG2 THR A 73 -6.645 5.834 0.180 1.00 0.00 C ATOM 0 H THR A 73 -6.597 5.690 3.479 1.00 0.00 H new ATOM 0 HA THR A 73 -4.627 4.891 1.468 1.00 0.00 H new ATOM 0 HB THR A 73 -5.182 7.294 0.698 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.526 6.822 2.288 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.221 6.522 -0.439 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.954 5.272 -0.448 1.00 0.00 H new ATOM 0 HG23 THR A 73 -7.323 5.143 0.682 1.00 0.00 H new ATOM 1162 N MET A 74 -2.909 6.822 2.002 1.00 0.00 N ATOM 1163 CA MET A 74 -1.795 7.570 2.570 1.00 0.00 C ATOM 1164 C MET A 74 -2.300 8.931 3.071 1.00 0.00 C ATOM 1165 O MET A 74 -1.648 9.599 3.871 1.00 0.00 O ATOM 1166 CB MET A 74 -0.675 7.757 1.530 1.00 0.00 C ATOM 1167 CG MET A 74 0.631 8.268 2.120 1.00 0.00 C ATOM 1168 SD MET A 74 1.406 7.074 3.229 1.00 0.00 S ATOM 1169 CE MET A 74 1.752 5.730 2.096 1.00 0.00 C ATOM 0 H MET A 74 -2.844 6.649 0.999 1.00 0.00 H new ATOM 0 HA MET A 74 -1.380 7.010 3.408 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.490 6.805 1.033 1.00 0.00 H new ATOM 0 HB3 MET A 74 -1.015 8.455 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.321 8.508 1.311 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.442 9.194 2.664 1.00 0.00 H new ATOM 0 HE1 MET A 74 2.536 5.097 2.511 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.849 5.139 1.946 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.082 6.136 1.140 1.00 0.00 H new ATOM 1179 N THR A 75 -3.476 9.326 2.582 1.00 0.00 N ATOM 1180 CA THR A 75 -4.146 10.535 3.037 1.00 0.00 C ATOM 1181 C THR A 75 -4.950 10.267 4.312 1.00 0.00 C ATOM 1182 O THR A 75 -4.979 11.097 5.223 1.00 0.00 O ATOM 1183 CB THR A 75 -5.074 11.090 1.940 1.00 0.00 C ATOM 1184 OG1 THR A 75 -5.712 10.004 1.254 1.00 0.00 O ATOM 1185 CG2 THR A 75 -4.298 11.944 0.948 1.00 0.00 C ATOM 0 H THR A 75 -3.986 8.815 1.861 1.00 0.00 H new ATOM 0 HA THR A 75 -3.379 11.277 3.258 1.00 0.00 H new ATOM 0 HB THR A 75 -5.829 11.719 2.413 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.998 9.329 1.904 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.977 12.323 0.185 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.837 12.782 1.472 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.523 11.340 0.476 1.00 0.00 H new ATOM 1193 N GLY A 76 -5.609 9.109 4.373 1.00 0.00 N ATOM 1194 CA GLY A 76 -6.289 8.716 5.595 1.00 0.00 C ATOM 1195 C GLY A 76 -7.729 8.273 5.406 1.00 0.00 C ATOM 1196 O GLY A 76 -8.364 7.817 6.358 1.00 0.00 O ATOM 0 H GLY A 76 -5.683 8.443 3.604 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.731 7.903 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.270 9.554 6.291 1.00 0.00 H new ATOM 1200 N GLU A 77 -8.254 8.397 4.199 1.00 0.00 N ATOM 1201 CA GLU A 77 -9.634 8.018 3.942 1.00 0.00 C ATOM 1202 C GLU A 77 -9.752 6.503 3.772 1.00 0.00 C ATOM 1203 O GLU A 77 -8.847 5.865 3.231 1.00 0.00 O ATOM 1204 CB GLU A 77 -10.149 8.736 2.701 1.00 0.00 C ATOM 1205 CG GLU A 77 -11.656 8.687 2.563 1.00 0.00 C ATOM 1206 CD GLU A 77 -12.158 9.407 1.329 1.00 0.00 C ATOM 1207 OE1 GLU A 77 -11.932 10.634 1.213 1.00 0.00 O ATOM 1208 OE2 GLU A 77 -12.804 8.759 0.483 1.00 0.00 O ATOM 0 H GLU A 77 -7.751 8.754 3.387 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.243 8.313 4.796 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.828 9.777 2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -9.695 8.289 1.816 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -11.979 7.647 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.112 9.132 3.448 1.00 0.00 H new ATOM 1215 N LYS A 78 -10.865 5.936 4.240 1.00 0.00 N ATOM 1216 CA LYS A 78 -11.103 4.502 4.156 1.00 0.00 C ATOM 1217 C LYS A 78 -11.906 4.184 2.900 1.00 0.00 C ATOM 1218 O LYS A 78 -12.971 4.765 2.683 1.00 0.00 O ATOM 1219 CB LYS A 78 -11.905 4.014 5.366 1.00 0.00 C ATOM 1220 CG LYS A 78 -11.847 4.895 6.599 1.00 0.00 C ATOM 1221 CD LYS A 78 -10.536 4.764 7.357 1.00 0.00 C ATOM 1222 CE LYS A 78 -10.632 3.733 8.482 1.00 0.00 C ATOM 1223 NZ LYS A 78 -10.843 2.348 7.979 1.00 0.00 N ATOM 0 H LYS A 78 -11.620 6.458 4.685 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.135 4.002 4.130 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -12.948 3.909 5.067 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.549 3.020 5.636 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.988 5.935 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -12.672 4.637 7.263 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.744 4.476 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.259 5.732 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.718 3.764 9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.453 4.002 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.816 1.681 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.768 2.287 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.092 2.107 7.301 1.00 0.00 H new ATOM 1237 N VAL A 79 -11.403 3.282 2.067 1.00 0.00 N ATOM 1238 CA VAL A 79 -12.125 2.894 0.859 1.00 0.00 C ATOM 1239 C VAL A 79 -12.018 1.402 0.650 1.00 0.00 C ATOM 1240 O VAL A 79 -10.934 0.846 0.694 1.00 0.00 O ATOM 1241 CB VAL A 79 -11.665 3.667 -0.403 1.00 0.00 C ATOM 1242 CG1 VAL A 79 -10.419 4.498 -0.133 1.00 0.00 C ATOM 1243 CG2 VAL A 79 -11.441 2.737 -1.577 1.00 0.00 C ATOM 0 H VAL A 79 -10.509 2.809 2.201 1.00 0.00 H new ATOM 0 HA VAL A 79 -13.170 3.165 1.011 1.00 0.00 H new ATOM 0 HB VAL A 79 -12.473 4.351 -0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.129 5.024 -1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.628 5.222 0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.606 3.843 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.119 3.315 -2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.672 2.008 -1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -12.370 2.218 -1.812 1.00 0.00 H new ATOM 1253 N LYS A 80 -13.129 0.754 0.409 1.00 0.00 N ATOM 1254 CA LYS A 80 -13.113 -0.699 0.341 1.00 0.00 C ATOM 1255 C LYS A 80 -13.021 -1.221 -1.070 1.00 0.00 C ATOM 1256 O LYS A 80 -13.640 -0.708 -2.004 1.00 0.00 O ATOM 1257 CB LYS A 80 -14.282 -1.348 1.065 1.00 0.00 C ATOM 1258 CG LYS A 80 -15.603 -0.656 0.874 1.00 0.00 C ATOM 1259 CD LYS A 80 -16.705 -1.377 1.605 1.00 0.00 C ATOM 1260 CE LYS A 80 -17.891 -0.478 1.794 1.00 0.00 C ATOM 1261 NZ LYS A 80 -19.092 -1.232 2.235 1.00 0.00 N ATOM 0 H LYS A 80 -14.039 1.189 0.259 1.00 0.00 H new ATOM 0 HA LYS A 80 -12.201 -0.985 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.375 -2.379 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.057 -1.383 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -15.535 0.370 1.234 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -15.840 -0.606 -0.189 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.000 -2.264 1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -16.343 -1.718 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -17.652 0.288 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -18.109 0.037 0.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.890 -0.575 2.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.336 -1.946 1.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -18.893 -1.703 3.141 1.00 0.00 H new ATOM 1275 N ALA A 81 -12.237 -2.265 -1.181 1.00 0.00 N ATOM 1276 CA ALA A 81 -11.975 -2.936 -2.433 1.00 0.00 C ATOM 1277 C ALA A 81 -11.794 -4.416 -2.148 1.00 0.00 C ATOM 1278 O ALA A 81 -11.535 -4.797 -1.003 1.00 0.00 O ATOM 1279 CB ALA A 81 -10.739 -2.349 -3.099 1.00 0.00 C ATOM 0 H ALA A 81 -11.752 -2.682 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 81 -12.810 -2.797 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.554 -2.865 -4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -10.898 -1.288 -3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.878 -2.473 -2.442 1.00 0.00 H new ATOM 1285 N VAL A 82 -11.948 -5.253 -3.158 1.00 0.00 N ATOM 1286 CA VAL A 82 -11.794 -6.681 -2.955 1.00 0.00 C ATOM 1287 C VAL A 82 -10.376 -7.106 -3.286 1.00 0.00 C ATOM 1288 O VAL A 82 -9.945 -7.060 -4.442 1.00 0.00 O ATOM 1289 CB VAL A 82 -12.806 -7.487 -3.784 1.00 0.00 C ATOM 1290 CG1 VAL A 82 -12.516 -8.977 -3.693 1.00 0.00 C ATOM 1291 CG2 VAL A 82 -14.200 -7.189 -3.291 1.00 0.00 C ATOM 0 H VAL A 82 -12.176 -4.974 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.993 -6.891 -1.904 1.00 0.00 H new ATOM 0 HB VAL A 82 -12.721 -7.196 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.245 -9.527 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.514 -9.176 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -12.580 -9.297 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -14.922 -7.758 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -14.282 -7.469 -2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.404 -6.124 -3.400 1.00 0.00 H new ATOM 1301 N VAL A 83 -9.664 -7.521 -2.253 1.00 0.00 N ATOM 1302 CA VAL A 83 -8.263 -7.882 -2.376 1.00 0.00 C ATOM 1303 C VAL A 83 -8.121 -9.399 -2.364 1.00 0.00 C ATOM 1304 O VAL A 83 -8.789 -10.077 -1.592 1.00 0.00 O ATOM 1305 CB VAL A 83 -7.394 -7.257 -1.238 1.00 0.00 C ATOM 1306 CG1 VAL A 83 -8.187 -6.234 -0.434 1.00 0.00 C ATOM 1307 CG2 VAL A 83 -6.810 -8.325 -0.328 1.00 0.00 C ATOM 0 H VAL A 83 -10.039 -7.617 -1.309 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.899 -7.482 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.563 -6.739 -1.716 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.554 -5.818 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.522 -5.433 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -9.053 -6.718 0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.212 -7.852 0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.619 -8.894 0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.180 -8.996 -0.912 1.00 0.00 H new ATOM 1317 N LYS A 84 -7.297 -9.931 -3.245 1.00 0.00 N ATOM 1318 CA LYS A 84 -7.023 -11.358 -3.271 1.00 0.00 C ATOM 1319 C LYS A 84 -5.569 -11.618 -2.968 1.00 0.00 C ATOM 1320 O LYS A 84 -4.721 -10.744 -3.152 1.00 0.00 O ATOM 1321 CB LYS A 84 -7.339 -11.983 -4.601 1.00 0.00 C ATOM 1322 CG LYS A 84 -8.417 -11.273 -5.386 1.00 0.00 C ATOM 1323 CD LYS A 84 -9.204 -12.247 -6.229 1.00 0.00 C ATOM 1324 CE LYS A 84 -10.441 -11.584 -6.801 1.00 0.00 C ATOM 1325 NZ LYS A 84 -11.363 -12.573 -7.419 1.00 0.00 N ATOM 0 H LYS A 84 -6.802 -9.394 -3.957 1.00 0.00 H new ATOM 0 HA LYS A 84 -7.666 -11.806 -2.513 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -6.429 -12.011 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -7.646 -13.016 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -9.088 -10.754 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -7.966 -10.515 -6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -8.579 -12.622 -7.039 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -9.493 -13.107 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -10.963 -11.045 -6.010 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -10.146 -10.847 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -12.197 -12.080 -7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -10.873 -13.069 -8.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -11.665 -13.262 -6.701 1.00 0.00 H new ATOM 1339 N MET A 85 -5.281 -12.815 -2.502 1.00 0.00 N ATOM 1340 CA MET A 85 -3.913 -13.166 -2.175 1.00 0.00 C ATOM 1341 C MET A 85 -3.507 -14.442 -2.891 1.00 0.00 C ATOM 1342 O MET A 85 -4.247 -15.422 -2.941 1.00 0.00 O ATOM 1343 CB MET A 85 -3.694 -13.303 -0.657 1.00 0.00 C ATOM 1344 CG MET A 85 -2.224 -13.397 -0.247 1.00 0.00 C ATOM 1345 SD MET A 85 -1.992 -14.047 1.420 1.00 0.00 S ATOM 1346 CE MET A 85 -2.570 -15.724 1.206 1.00 0.00 C ATOM 0 H MET A 85 -5.966 -13.554 -2.342 1.00 0.00 H new ATOM 0 HA MET A 85 -3.278 -12.349 -2.518 1.00 0.00 H new ATOM 0 HB2 MET A 85 -4.146 -12.447 -0.156 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.217 -14.192 -0.304 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.696 -14.035 -0.956 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.772 -12.407 -0.310 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.436 -15.895 1.846 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.852 -15.882 0.165 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.776 -16.420 1.476 1.00 0.00 H new ATOM 1356 N GLU A 86 -2.313 -14.388 -3.439 1.00 0.00 N ATOM 1357 CA GLU A 86 -1.767 -15.424 -4.295 1.00 0.00 C ATOM 1358 C GLU A 86 -1.084 -16.528 -3.480 1.00 0.00 C ATOM 1359 O GLU A 86 -0.816 -17.617 -3.981 1.00 0.00 O ATOM 1360 CB GLU A 86 -0.807 -14.718 -5.229 1.00 0.00 C ATOM 1361 CG GLU A 86 -0.101 -15.566 -6.259 1.00 0.00 C ATOM 1362 CD GLU A 86 -0.994 -16.607 -6.906 1.00 0.00 C ATOM 1363 OE1 GLU A 86 -2.032 -16.228 -7.489 1.00 0.00 O ATOM 1364 OE2 GLU A 86 -0.653 -17.807 -6.860 1.00 0.00 O ATOM 0 H GLU A 86 -1.677 -13.603 -3.299 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.549 -15.936 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -1.358 -13.937 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.049 -14.221 -4.623 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.306 -14.917 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.744 -16.067 -5.787 1.00 0.00 H new ATOM 1371 N GLY A 87 -0.824 -16.245 -2.215 1.00 0.00 N ATOM 1372 CA GLY A 87 -0.213 -17.236 -1.347 1.00 0.00 C ATOM 1373 C GLY A 87 1.171 -16.823 -0.903 1.00 0.00 C ATOM 1374 O GLY A 87 1.380 -16.495 0.265 1.00 0.00 O ATOM 0 H GLY A 87 -1.023 -15.349 -1.771 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -0.844 -17.389 -0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -0.156 -18.191 -1.870 1.00 0.00 H new ATOM 1378 N ASP A 88 2.110 -16.807 -1.845 1.00 0.00 N ATOM 1379 CA ASP A 88 3.467 -16.310 -1.605 1.00 0.00 C ATOM 1380 C ASP A 88 3.485 -14.803 -1.532 1.00 0.00 C ATOM 1381 O ASP A 88 4.362 -14.148 -2.085 1.00 0.00 O ATOM 1382 CB ASP A 88 4.469 -16.794 -2.667 1.00 0.00 C ATOM 1383 CG ASP A 88 3.945 -16.830 -4.096 1.00 0.00 C ATOM 1384 OD1 ASP A 88 2.724 -16.713 -4.316 1.00 0.00 O ATOM 1385 OD2 ASP A 88 4.775 -16.976 -5.022 1.00 0.00 O ATOM 0 H ASP A 88 1.954 -17.138 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 88 3.780 -16.721 -0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 88 5.345 -16.146 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.803 -17.795 -2.396 1.00 0.00 H new ATOM 1390 N ASN A 89 2.512 -14.279 -0.810 1.00 0.00 N ATOM 1391 CA ASN A 89 2.474 -12.888 -0.423 1.00 0.00 C ATOM 1392 C ASN A 89 2.332 -11.976 -1.620 1.00 0.00 C ATOM 1393 O ASN A 89 3.010 -10.962 -1.745 1.00 0.00 O ATOM 1394 CB ASN A 89 3.716 -12.570 0.394 1.00 0.00 C ATOM 1395 CG ASN A 89 3.769 -13.406 1.654 1.00 0.00 C ATOM 1396 OD1 ASN A 89 4.081 -14.681 1.484 1.00 0.00 O flip ATOM 1397 ND2 ASN A 89 3.474 -12.934 2.750 1.00 0.00 N flip ATOM 0 H ASN A 89 1.715 -14.819 -0.473 1.00 0.00 H new ATOM 0 HA ASN A 89 1.592 -12.711 0.192 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.607 -12.755 -0.206 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.722 -11.512 0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.240 -11.945 2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 89 3.463 -13.532 3.576 1.00 0.00 H new ATOM 1404 N LYS A 90 1.432 -12.356 -2.502 1.00 0.00 N ATOM 1405 CA LYS A 90 0.979 -11.471 -3.539 1.00 0.00 C ATOM 1406 C LYS A 90 -0.423 -11.038 -3.158 1.00 0.00 C ATOM 1407 O LYS A 90 -1.300 -11.882 -2.979 1.00 0.00 O ATOM 1408 CB LYS A 90 0.906 -12.172 -4.900 1.00 0.00 C ATOM 1409 CG LYS A 90 2.193 -12.654 -5.521 1.00 0.00 C ATOM 1410 CD LYS A 90 2.975 -13.626 -4.691 1.00 0.00 C ATOM 1411 CE LYS A 90 4.344 -13.712 -5.288 1.00 0.00 C ATOM 1412 NZ LYS A 90 4.416 -14.704 -6.392 1.00 0.00 N ATOM 0 H LYS A 90 1.001 -13.280 -2.516 1.00 0.00 H new ATOM 0 HA LYS A 90 1.675 -10.637 -3.629 1.00 0.00 H new ATOM 0 HB2 LYS A 90 0.243 -13.031 -4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.433 -11.487 -5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.963 -13.121 -6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.823 -11.790 -5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.027 -13.293 -3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.494 -14.604 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 90 4.636 -12.732 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.060 -13.983 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.922 -14.288 -7.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.922 -15.551 -6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.454 -14.968 -6.685 1.00 0.00 H new ATOM 1426 N MET A 91 -0.633 -9.749 -3.012 1.00 0.00 N ATOM 1427 CA MET A 91 -1.946 -9.228 -2.679 1.00 0.00 C ATOM 1428 C MET A 91 -2.408 -8.299 -3.783 1.00 0.00 C ATOM 1429 O MET A 91 -1.823 -7.242 -4.003 1.00 0.00 O ATOM 1430 CB MET A 91 -1.925 -8.477 -1.339 1.00 0.00 C ATOM 1431 CG MET A 91 -1.643 -9.358 -0.131 1.00 0.00 C ATOM 1432 SD MET A 91 0.068 -9.925 -0.062 1.00 0.00 S ATOM 1433 CE MET A 91 0.028 -10.943 1.407 1.00 0.00 C ATOM 0 H MET A 91 0.090 -9.037 -3.118 1.00 0.00 H new ATOM 0 HA MET A 91 -2.637 -10.065 -2.582 1.00 0.00 H new ATOM 0 HB2 MET A 91 -1.169 -7.694 -1.387 1.00 0.00 H new ATOM 0 HB3 MET A 91 -2.887 -7.984 -1.197 1.00 0.00 H new ATOM 0 HG2 MET A 91 -1.874 -8.804 0.779 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.307 -10.222 -0.155 1.00 0.00 H new ATOM 0 HE1 MET A 91 1.003 -11.409 1.554 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.212 -10.325 2.272 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.731 -11.717 1.293 1.00 0.00 H new ATOM 1443 N VAL A 92 -3.459 -8.690 -4.473 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.943 -7.922 -5.603 1.00 0.00 C ATOM 1445 C VAL A 92 -5.408 -7.572 -5.399 1.00 0.00 C ATOM 1446 O VAL A 92 -6.254 -8.455 -5.274 1.00 0.00 O ATOM 1447 CB VAL A 92 -3.794 -8.690 -6.935 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -3.503 -7.728 -8.067 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -2.713 -9.760 -6.845 1.00 0.00 C ATOM 0 H VAL A 92 -3.995 -9.534 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.337 -7.018 -5.661 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.738 -9.195 -7.139 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.401 -8.283 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.322 -7.015 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.577 -7.192 -7.860 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -2.636 -10.280 -7.800 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.757 -9.293 -6.608 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.972 -10.474 -6.063 1.00 0.00 H new ATOM 1459 N THR A 93 -5.701 -6.289 -5.351 1.00 0.00 N ATOM 1460 CA THR A 93 -7.063 -5.832 -5.159 1.00 0.00 C ATOM 1461 C THR A 93 -7.459 -4.859 -6.250 1.00 0.00 C ATOM 1462 O THR A 93 -6.658 -4.027 -6.686 1.00 0.00 O ATOM 1463 CB THR A 93 -7.276 -5.190 -3.773 1.00 0.00 C ATOM 1464 OG1 THR A 93 -8.414 -4.324 -3.787 1.00 0.00 O ATOM 1465 CG2 THR A 93 -6.047 -4.420 -3.314 1.00 0.00 C ATOM 0 H THR A 93 -5.013 -5.542 -5.443 1.00 0.00 H new ATOM 0 HA THR A 93 -7.703 -6.713 -5.213 1.00 0.00 H new ATOM 0 HB THR A 93 -7.451 -6.001 -3.066 1.00 0.00 H new ATOM 0 HG1 THR A 93 -8.169 -3.456 -3.403 1.00 0.00 H new ATOM 0 HG21 THR A 93 -6.237 -3.983 -2.334 1.00 0.00 H new ATOM 0 HG22 THR A 93 -5.196 -5.098 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 93 -5.827 -3.627 -4.029 1.00 0.00 H new ATOM 1473 N THR A 94 -8.685 -4.993 -6.708 1.00 0.00 N ATOM 1474 CA THR A 94 -9.181 -4.154 -7.785 1.00 0.00 C ATOM 1475 C THR A 94 -10.521 -3.505 -7.432 1.00 0.00 C ATOM 1476 O THR A 94 -11.383 -4.128 -6.807 1.00 0.00 O ATOM 1477 CB THR A 94 -9.295 -4.947 -9.101 1.00 0.00 C ATOM 1478 OG1 THR A 94 -9.785 -4.110 -10.159 1.00 0.00 O ATOM 1479 CG2 THR A 94 -10.204 -6.134 -8.906 1.00 0.00 C ATOM 0 H THR A 94 -9.358 -5.673 -6.354 1.00 0.00 H new ATOM 0 HA THR A 94 -8.453 -3.355 -7.926 1.00 0.00 H new ATOM 0 HB THR A 94 -8.303 -5.301 -9.382 1.00 0.00 H new ATOM 0 HG1 THR A 94 -9.463 -3.194 -10.027 1.00 0.00 H new ATOM 0 HG21 THR A 94 -10.281 -6.691 -9.840 1.00 0.00 H new ATOM 0 HG22 THR A 94 -9.796 -6.781 -8.130 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.194 -5.789 -8.607 1.00 0.00 H new ATOM 1487 N PHE A 95 -10.675 -2.243 -7.812 1.00 0.00 N ATOM 1488 CA PHE A 95 -11.940 -1.539 -7.648 1.00 0.00 C ATOM 1489 C PHE A 95 -12.230 -0.693 -8.885 1.00 0.00 C ATOM 1490 O PHE A 95 -11.533 0.282 -9.144 1.00 0.00 O ATOM 1491 CB PHE A 95 -11.889 -0.659 -6.394 1.00 0.00 C ATOM 1492 CG PHE A 95 -13.082 0.240 -6.229 1.00 0.00 C ATOM 1493 CD1 PHE A 95 -14.314 -0.276 -5.854 1.00 0.00 C ATOM 1494 CD2 PHE A 95 -12.969 1.603 -6.451 1.00 0.00 C ATOM 1495 CE1 PHE A 95 -15.409 0.553 -5.705 1.00 0.00 C ATOM 1496 CE2 PHE A 95 -14.059 2.436 -6.302 1.00 0.00 C ATOM 1497 CZ PHE A 95 -15.282 1.911 -5.929 1.00 0.00 C ATOM 0 H PHE A 95 -9.936 -1.684 -8.238 1.00 0.00 H new ATOM 0 HA PHE A 95 -12.743 -2.267 -7.530 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -11.806 -1.300 -5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -10.988 -0.047 -6.429 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -14.418 -1.336 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -12.016 2.019 -6.744 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -16.364 0.140 -5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -13.957 3.497 -6.477 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.137 2.561 -5.813 1.00 0.00 H new ATOM 1507 N LYS A 96 -13.276 -1.061 -9.622 1.00 0.00 N ATOM 1508 CA LYS A 96 -13.643 -0.396 -10.880 1.00 0.00 C ATOM 1509 C LYS A 96 -12.458 -0.330 -11.853 1.00 0.00 C ATOM 1510 O LYS A 96 -12.199 -1.286 -12.587 1.00 0.00 O ATOM 1511 CB LYS A 96 -14.219 1.005 -10.634 1.00 0.00 C ATOM 1512 CG LYS A 96 -15.546 1.002 -9.890 1.00 0.00 C ATOM 1513 CD LYS A 96 -16.260 2.339 -10.003 1.00 0.00 C ATOM 1514 CE LYS A 96 -15.389 3.481 -9.507 1.00 0.00 C ATOM 1515 NZ LYS A 96 -16.142 4.761 -9.437 1.00 0.00 N ATOM 0 H LYS A 96 -13.897 -1.829 -9.367 1.00 0.00 H new ATOM 0 HA LYS A 96 -14.422 -1.003 -11.341 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.496 1.590 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -14.352 1.506 -11.593 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -16.185 0.214 -10.289 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -15.373 0.770 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -16.538 2.517 -11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -17.184 2.309 -9.426 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.996 3.236 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.532 3.599 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -15.513 5.515 -9.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.495 5.008 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.945 4.656 -8.784 1.00 0.00 H new ATOM 1529 N GLY A 97 -11.744 0.795 -11.860 1.00 0.00 N ATOM 1530 CA GLY A 97 -10.589 0.945 -12.716 1.00 0.00 C ATOM 1531 C GLY A 97 -9.320 1.139 -11.914 1.00 0.00 C ATOM 1532 O GLY A 97 -8.264 1.466 -12.458 1.00 0.00 O ATOM 0 H GLY A 97 -11.952 1.609 -11.281 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -10.488 0.064 -13.349 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.735 1.798 -13.378 1.00 0.00 H new ATOM 1536 N ILE A 98 -9.438 0.931 -10.613 1.00 0.00 N ATOM 1537 CA ILE A 98 -8.327 1.058 -9.698 1.00 0.00 C ATOM 1538 C ILE A 98 -7.671 -0.296 -9.542 1.00 0.00 C ATOM 1539 O ILE A 98 -8.329 -1.276 -9.178 1.00 0.00 O ATOM 1540 CB ILE A 98 -8.768 1.579 -8.319 1.00 0.00 C ATOM 1541 CG1 ILE A 98 -9.371 2.980 -8.442 1.00 0.00 C ATOM 1542 CG2 ILE A 98 -7.593 1.592 -7.352 1.00 0.00 C ATOM 1543 CD1 ILE A 98 -8.833 3.783 -9.605 1.00 0.00 C ATOM 0 H ILE A 98 -10.315 0.668 -10.164 1.00 0.00 H new ATOM 0 HA ILE A 98 -7.626 1.784 -10.110 1.00 0.00 H new ATOM 0 HB ILE A 98 -9.531 0.907 -7.927 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -10.452 2.891 -8.545 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -9.183 3.527 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -7.924 1.963 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -7.203 0.580 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -6.809 2.242 -7.741 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.310 4.763 -9.622 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.756 3.906 -9.495 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -9.045 3.260 -10.537 1.00 0.00 H new ATOM 1555 N LYS A 99 -6.394 -0.361 -9.837 1.00 0.00 N ATOM 1556 CA LYS A 99 -5.702 -1.623 -9.854 1.00 0.00 C ATOM 1557 C LYS A 99 -4.504 -1.578 -8.920 1.00 0.00 C ATOM 1558 O LYS A 99 -3.578 -0.801 -9.135 1.00 0.00 O ATOM 1559 CB LYS A 99 -5.266 -1.899 -11.280 1.00 0.00 C ATOM 1560 CG LYS A 99 -5.048 -3.358 -11.594 1.00 0.00 C ATOM 1561 CD LYS A 99 -4.628 -3.532 -13.045 1.00 0.00 C ATOM 1562 CE LYS A 99 -4.127 -4.936 -13.331 1.00 0.00 C ATOM 1563 NZ LYS A 99 -2.907 -5.256 -12.549 1.00 0.00 N ATOM 0 H LYS A 99 -5.815 0.447 -10.068 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.358 -2.422 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -6.019 -1.502 -11.961 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.342 -1.356 -11.476 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.282 -3.767 -10.936 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -5.964 -3.918 -11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.474 -3.310 -13.696 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.845 -2.813 -13.284 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.910 -5.657 -13.094 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.913 -5.036 -14.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.397 -6.039 -13.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.291 -4.419 -12.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.176 -5.534 -11.584 1.00 0.00 H new ATOM 1577 N SER A 100 -4.521 -2.405 -7.887 1.00 0.00 N ATOM 1578 CA SER A 100 -3.430 -2.434 -6.926 1.00 0.00 C ATOM 1579 C SER A 100 -2.813 -3.828 -6.853 1.00 0.00 C ATOM 1580 O SER A 100 -3.487 -4.801 -6.513 1.00 0.00 O ATOM 1581 CB SER A 100 -3.943 -2.006 -5.550 1.00 0.00 C ATOM 1582 OG SER A 100 -4.661 -0.786 -5.633 1.00 0.00 O ATOM 0 H SER A 100 -5.276 -3.063 -7.693 1.00 0.00 H new ATOM 0 HA SER A 100 -2.657 -1.738 -7.251 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.587 -2.784 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.104 -1.892 -4.864 1.00 0.00 H new ATOM 0 HG SER A 100 -4.083 -0.047 -5.350 1.00 0.00 H new ATOM 1588 N VAL A 101 -1.530 -3.911 -7.163 1.00 0.00 N ATOM 1589 CA VAL A 101 -0.800 -5.163 -7.137 1.00 0.00 C ATOM 1590 C VAL A 101 0.310 -5.092 -6.092 1.00 0.00 C ATOM 1591 O VAL A 101 1.189 -4.237 -6.165 1.00 0.00 O ATOM 1592 CB VAL A 101 -0.169 -5.455 -8.512 1.00 0.00 C ATOM 1593 CG1 VAL A 101 0.656 -6.727 -8.465 1.00 0.00 C ATOM 1594 CG2 VAL A 101 -1.242 -5.547 -9.580 1.00 0.00 C ATOM 0 H VAL A 101 -0.965 -3.108 -7.440 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.500 -5.960 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 101 0.497 -4.630 -8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 101 1.092 -6.914 -9.446 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.452 -6.617 -7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 101 0.017 -7.565 -8.186 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.778 -5.754 -10.545 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.935 -6.350 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.785 -4.603 -9.633 1.00 0.00 H new ATOM 1604 N THR A 102 0.256 -5.967 -5.113 1.00 0.00 N ATOM 1605 CA THR A 102 1.280 -6.035 -4.091 1.00 0.00 C ATOM 1606 C THR A 102 1.991 -7.386 -4.124 1.00 0.00 C ATOM 1607 O THR A 102 1.342 -8.423 -4.084 1.00 0.00 O ATOM 1608 CB THR A 102 0.665 -5.801 -2.698 1.00 0.00 C ATOM 1609 OG1 THR A 102 -0.266 -4.713 -2.763 1.00 0.00 O ATOM 1610 CG2 THR A 102 1.741 -5.481 -1.674 1.00 0.00 C ATOM 0 H THR A 102 -0.494 -6.649 -5.002 1.00 0.00 H new ATOM 0 HA THR A 102 2.011 -5.252 -4.293 1.00 0.00 H new ATOM 0 HB THR A 102 0.154 -6.713 -2.390 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.658 -4.565 -1.877 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.280 -5.320 -0.700 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.442 -6.313 -1.611 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.274 -4.580 -1.976 1.00 0.00 H new ATOM 1618 N GLU A 103 3.312 -7.383 -4.222 1.00 0.00 N ATOM 1619 CA GLU A 103 4.071 -8.626 -4.152 1.00 0.00 C ATOM 1620 C GLU A 103 5.167 -8.526 -3.107 1.00 0.00 C ATOM 1621 O GLU A 103 6.020 -7.636 -3.172 1.00 0.00 O ATOM 1622 CB GLU A 103 4.713 -8.969 -5.500 1.00 0.00 C ATOM 1623 CG GLU A 103 5.367 -10.318 -5.514 1.00 0.00 C ATOM 1624 CD GLU A 103 5.726 -10.808 -6.901 1.00 0.00 C ATOM 1625 OE1 GLU A 103 4.927 -10.607 -7.838 1.00 0.00 O ATOM 1626 OE2 GLU A 103 6.811 -11.403 -7.060 1.00 0.00 O ATOM 0 H GLU A 103 3.878 -6.544 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 103 3.367 -9.413 -3.881 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.951 -8.933 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.455 -8.210 -5.746 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.271 -10.279 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.699 -11.040 -5.045 1.00 0.00 H new ATOM 1633 N PHE A 104 5.136 -9.422 -2.135 1.00 0.00 N ATOM 1634 CA PHE A 104 6.244 -9.594 -1.245 1.00 0.00 C ATOM 1635 C PHE A 104 7.117 -10.691 -1.824 1.00 0.00 C ATOM 1636 O PHE A 104 6.683 -11.844 -1.935 1.00 0.00 O ATOM 1637 CB PHE A 104 5.752 -10.001 0.140 1.00 0.00 C ATOM 1638 CG PHE A 104 4.645 -9.150 0.697 1.00 0.00 C ATOM 1639 CD1 PHE A 104 4.536 -7.827 0.355 1.00 0.00 C ATOM 1640 CD2 PHE A 104 3.717 -9.686 1.565 1.00 0.00 C ATOM 1641 CE1 PHE A 104 3.520 -7.045 0.868 1.00 0.00 C ATOM 1642 CE2 PHE A 104 2.696 -8.915 2.083 1.00 0.00 C ATOM 1643 CZ PHE A 104 2.596 -7.591 1.730 1.00 0.00 C ATOM 0 H PHE A 104 4.345 -10.039 -1.951 1.00 0.00 H new ATOM 0 HA PHE A 104 6.802 -8.663 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 104 5.409 -11.035 0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 104 6.594 -9.973 0.831 1.00 0.00 H new ATOM 0 HD1 PHE A 104 5.254 -7.391 -0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 104 3.790 -10.727 1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.450 -6.003 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 104 1.979 -9.351 2.763 1.00 0.00 H new ATOM 0 HZ PHE A 104 1.797 -6.982 2.127 1.00 0.00 H new ATOM 1653 N ASN A 105 8.333 -10.341 -2.193 1.00 0.00 N ATOM 1654 CA ASN A 105 9.207 -11.276 -2.873 1.00 0.00 C ATOM 1655 C ASN A 105 10.511 -11.414 -2.114 1.00 0.00 C ATOM 1656 O ASN A 105 11.302 -10.471 -2.052 1.00 0.00 O ATOM 1657 CB ASN A 105 9.484 -10.799 -4.300 1.00 0.00 C ATOM 1658 CG ASN A 105 10.046 -11.905 -5.167 1.00 0.00 C ATOM 1659 OD1 ASN A 105 11.249 -12.168 -5.167 1.00 0.00 O ATOM 1660 ND2 ASN A 105 9.178 -12.544 -5.934 1.00 0.00 N ATOM 0 H ASN A 105 8.738 -9.418 -2.034 1.00 0.00 H new ATOM 0 HA ASN A 105 8.715 -12.248 -2.915 1.00 0.00 H new ATOM 0 HB2 ASN A 105 8.561 -10.424 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 105 10.186 -9.966 -4.274 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.497 -13.286 -6.556 1.00 0.00 H new ATOM 0 HD22 ASN A 105 8.190 -12.294 -5.903 1.00 0.00 H new ATOM 1667 N GLY A 106 10.724 -12.580 -1.519 1.00 0.00 N ATOM 1668 CA GLY A 106 11.926 -12.800 -0.745 1.00 0.00 C ATOM 1669 C GLY A 106 11.861 -12.105 0.594 1.00 0.00 C ATOM 1670 O GLY A 106 11.677 -12.738 1.631 1.00 0.00 O ATOM 0 H GLY A 106 10.086 -13.375 -1.559 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.071 -13.870 -0.594 1.00 0.00 H new ATOM 0 HA3 GLY A 106 12.790 -12.437 -1.302 1.00 0.00 H new ATOM 1674 N ASP A 107 12.014 -10.798 0.553 1.00 0.00 N ATOM 1675 CA ASP A 107 11.913 -9.956 1.730 1.00 0.00 C ATOM 1676 C ASP A 107 11.790 -8.498 1.306 1.00 0.00 C ATOM 1677 O ASP A 107 11.944 -7.587 2.113 1.00 0.00 O ATOM 1678 CB ASP A 107 13.119 -10.140 2.662 1.00 0.00 C ATOM 1679 CG ASP A 107 14.404 -9.563 2.102 1.00 0.00 C ATOM 1680 OD1 ASP A 107 14.943 -10.128 1.128 1.00 0.00 O ATOM 1681 OD2 ASP A 107 14.896 -8.557 2.653 1.00 0.00 O ATOM 0 H ASP A 107 12.214 -10.284 -0.305 1.00 0.00 H new ATOM 0 HA ASP A 107 11.023 -10.251 2.285 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.904 -9.667 3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 107 13.261 -11.203 2.856 1.00 0.00 H new ATOM 1686 N THR A 108 11.516 -8.275 0.029 1.00 0.00 N ATOM 1687 CA THR A 108 11.269 -6.925 -0.452 1.00 0.00 C ATOM 1688 C THR A 108 9.912 -6.843 -1.126 1.00 0.00 C ATOM 1689 O THR A 108 9.473 -7.773 -1.807 1.00 0.00 O ATOM 1690 CB THR A 108 12.374 -6.432 -1.415 1.00 0.00 C ATOM 1691 OG1 THR A 108 13.656 -6.869 -0.945 1.00 0.00 O ATOM 1692 CG2 THR A 108 12.376 -4.915 -1.518 1.00 0.00 C ATOM 0 H THR A 108 11.460 -9.002 -0.685 1.00 0.00 H new ATOM 0 HA THR A 108 11.281 -6.269 0.418 1.00 0.00 H new ATOM 0 HB THR A 108 12.172 -6.850 -2.401 1.00 0.00 H new ATOM 0 HG1 THR A 108 14.353 -6.556 -1.558 1.00 0.00 H new ATOM 0 HG21 THR A 108 13.163 -4.598 -2.202 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.411 -4.574 -1.893 1.00 0.00 H new ATOM 0 HG23 THR A 108 12.555 -4.484 -0.533 1.00 0.00 H new ATOM 1700 N ILE A 109 9.253 -5.726 -0.908 1.00 0.00 N ATOM 1701 CA ILE A 109 7.898 -5.522 -1.356 1.00 0.00 C ATOM 1702 C ILE A 109 7.852 -4.649 -2.592 1.00 0.00 C ATOM 1703 O ILE A 109 8.454 -3.574 -2.626 1.00 0.00 O ATOM 1704 CB ILE A 109 7.069 -4.831 -0.260 1.00 0.00 C ATOM 1705 CG1 ILE A 109 7.114 -5.647 1.028 1.00 0.00 C ATOM 1706 CG2 ILE A 109 5.638 -4.612 -0.718 1.00 0.00 C ATOM 1707 CD1 ILE A 109 6.126 -5.175 2.071 1.00 0.00 C ATOM 0 H ILE A 109 9.649 -4.928 -0.410 1.00 0.00 H new ATOM 0 HA ILE A 109 7.486 -6.505 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 109 7.505 -3.852 -0.062 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.913 -6.693 0.794 1.00 0.00 H new ATOM 0 HG13 ILE A 109 8.120 -5.601 1.444 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.073 -4.122 0.075 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.633 -3.983 -1.609 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.179 -5.573 -0.950 1.00 0.00 H new ATOM 0 HD11 ILE A 109 6.211 -5.798 2.961 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.340 -4.139 2.332 1.00 0.00 H new ATOM 0 HD13 ILE A 109 5.114 -5.247 1.673 1.00 0.00 H new ATOM 1719 N THR A 110 7.143 -5.105 -3.601 1.00 0.00 N ATOM 1720 CA THR A 110 6.807 -4.243 -4.706 1.00 0.00 C ATOM 1721 C THR A 110 5.304 -4.018 -4.719 1.00 0.00 C ATOM 1722 O THR A 110 4.520 -4.956 -4.863 1.00 0.00 O ATOM 1723 CB THR A 110 7.249 -4.835 -6.053 1.00 0.00 C ATOM 1724 OG1 THR A 110 8.610 -5.286 -5.956 1.00 0.00 O ATOM 1725 CG2 THR A 110 7.137 -3.781 -7.148 1.00 0.00 C ATOM 0 H THR A 110 6.792 -6.060 -3.677 1.00 0.00 H new ATOM 0 HA THR A 110 7.336 -3.299 -4.572 1.00 0.00 H new ATOM 0 HB THR A 110 6.603 -5.677 -6.302 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.891 -5.665 -6.815 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.452 -4.210 -8.099 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.103 -3.446 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.776 -2.932 -6.903 1.00 0.00 H new ATOM 1733 N ASN A 111 4.911 -2.776 -4.545 1.00 0.00 N ATOM 1734 CA ASN A 111 3.505 -2.410 -4.601 1.00 0.00 C ATOM 1735 C ASN A 111 3.249 -1.516 -5.805 1.00 0.00 C ATOM 1736 O ASN A 111 3.833 -0.453 -5.924 1.00 0.00 O ATOM 1737 CB ASN A 111 3.115 -1.685 -3.309 1.00 0.00 C ATOM 1738 CG ASN A 111 1.681 -1.184 -3.299 1.00 0.00 C ATOM 1739 OD1 ASN A 111 1.403 -0.103 -2.779 1.00 0.00 O ATOM 1740 ND2 ASN A 111 0.757 -1.974 -3.832 1.00 0.00 N ATOM 0 H ASN A 111 5.544 -1.997 -4.363 1.00 0.00 H new ATOM 0 HA ASN A 111 2.899 -3.311 -4.702 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.260 -2.360 -2.466 1.00 0.00 H new ATOM 0 HB3 ASN A 111 3.787 -0.840 -3.160 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -0.223 -1.693 -3.820 1.00 0.00 H new ATOM 0 HD22 ASN A 111 1.027 -2.863 -4.254 1.00 0.00 H new ATOM 1747 N THR A 112 2.384 -1.950 -6.698 1.00 0.00 N ATOM 1748 CA THR A 112 2.053 -1.159 -7.871 1.00 0.00 C ATOM 1749 C THR A 112 0.555 -0.879 -7.911 1.00 0.00 C ATOM 1750 O THR A 112 -0.242 -1.802 -8.026 1.00 0.00 O ATOM 1751 CB THR A 112 2.471 -1.897 -9.157 1.00 0.00 C ATOM 1752 OG1 THR A 112 3.387 -2.952 -8.830 1.00 0.00 O ATOM 1753 CG2 THR A 112 3.136 -0.944 -10.128 1.00 0.00 C ATOM 0 H THR A 112 1.897 -2.844 -6.637 1.00 0.00 H new ATOM 0 HA THR A 112 2.596 -0.216 -7.811 1.00 0.00 H new ATOM 0 HB THR A 112 1.577 -2.311 -9.624 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.651 -3.422 -9.649 1.00 0.00 H new ATOM 0 HG21 THR A 112 3.424 -1.485 -11.029 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.440 -0.147 -10.390 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.024 -0.513 -9.665 1.00 0.00 H new ATOM 1761 N MET A 113 0.162 0.381 -7.810 1.00 0.00 N ATOM 1762 CA MET A 113 -1.241 0.722 -7.843 1.00 0.00 C ATOM 1763 C MET A 113 -1.490 1.765 -8.922 1.00 0.00 C ATOM 1764 O MET A 113 -0.653 2.624 -9.170 1.00 0.00 O ATOM 1765 CB MET A 113 -1.716 1.179 -6.458 1.00 0.00 C ATOM 1766 CG MET A 113 -2.883 2.147 -6.483 1.00 0.00 C ATOM 1767 SD MET A 113 -3.649 2.363 -4.860 1.00 0.00 S ATOM 1768 CE MET A 113 -2.227 2.780 -3.852 1.00 0.00 C ATOM 0 H MET A 113 0.794 1.175 -7.705 1.00 0.00 H new ATOM 0 HA MET A 113 -1.829 -0.160 -8.098 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.000 0.302 -5.877 1.00 0.00 H new ATOM 0 HB3 MET A 113 -0.881 1.649 -5.938 1.00 0.00 H new ATOM 0 HG2 MET A 113 -2.539 3.114 -6.849 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.632 1.788 -7.188 1.00 0.00 H new ATOM 0 HE1 MET A 113 -2.564 3.197 -2.903 1.00 0.00 H new ATOM 0 HE2 MET A 113 -1.638 1.882 -3.665 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.614 3.515 -4.374 1.00 0.00 H new ATOM 1778 N THR A 114 -2.624 1.675 -9.572 1.00 0.00 N ATOM 1779 CA THR A 114 -2.910 2.528 -10.689 1.00 0.00 C ATOM 1780 C THR A 114 -4.173 3.329 -10.424 1.00 0.00 C ATOM 1781 O THR A 114 -5.236 2.763 -10.170 1.00 0.00 O ATOM 1782 CB THR A 114 -3.094 1.696 -11.970 1.00 0.00 C ATOM 1783 OG1 THR A 114 -2.154 0.613 -11.985 1.00 0.00 O ATOM 1784 CG2 THR A 114 -2.889 2.553 -13.208 1.00 0.00 C ATOM 0 H THR A 114 -3.366 1.014 -9.341 1.00 0.00 H new ATOM 0 HA THR A 114 -2.069 3.208 -10.824 1.00 0.00 H new ATOM 0 HB THR A 114 -4.111 1.305 -11.978 1.00 0.00 H new ATOM 0 HG1 THR A 114 -2.276 0.085 -12.802 1.00 0.00 H new ATOM 0 HG21 THR A 114 -3.024 1.942 -14.100 1.00 0.00 H new ATOM 0 HG22 THR A 114 -3.615 3.366 -13.212 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.881 2.967 -13.201 1.00 0.00 H new ATOM 1792 N LEU A 115 -4.037 4.639 -10.461 1.00 0.00 N ATOM 1793 CA LEU A 115 -5.162 5.527 -10.445 1.00 0.00 C ATOM 1794 C LEU A 115 -5.484 5.802 -11.896 1.00 0.00 C ATOM 1795 O LEU A 115 -4.576 5.753 -12.712 1.00 0.00 O ATOM 1796 CB LEU A 115 -4.812 6.790 -9.675 1.00 0.00 C ATOM 1797 CG LEU A 115 -5.516 6.965 -8.333 1.00 0.00 C ATOM 1798 CD1 LEU A 115 -7.017 6.935 -8.512 1.00 0.00 C ATOM 1799 CD2 LEU A 115 -5.089 5.865 -7.384 1.00 0.00 C ATOM 0 H LEU A 115 -3.134 5.112 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.030 5.101 -9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.736 6.802 -9.504 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.045 7.651 -10.301 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.236 7.932 -7.916 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.501 7.061 -7.544 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.320 7.743 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.313 5.979 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.594 5.994 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.355 4.896 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.010 5.912 -7.234 1.00 0.00 H new ATOM 1811 N GLY A 116 -6.752 5.970 -12.243 1.00 0.00 N ATOM 1812 CA GLY A 116 -7.145 5.925 -13.649 1.00 0.00 C ATOM 1813 C GLY A 116 -6.615 7.039 -14.539 1.00 0.00 C ATOM 1814 O GLY A 116 -7.229 7.389 -15.548 1.00 0.00 O ATOM 0 H GLY A 116 -7.515 6.136 -11.587 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -6.817 4.972 -14.064 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -8.234 5.937 -13.699 1.00 0.00 H new ATOM 1818 N ASP A 117 -5.504 7.603 -14.146 1.00 0.00 N ATOM 1819 CA ASP A 117 -4.647 8.355 -15.045 1.00 0.00 C ATOM 1820 C ASP A 117 -3.191 8.243 -14.586 1.00 0.00 C ATOM 1821 O ASP A 117 -2.270 8.617 -15.306 1.00 0.00 O ATOM 1822 CB ASP A 117 -5.061 9.823 -15.115 1.00 0.00 C ATOM 1823 CG ASP A 117 -4.295 10.567 -16.189 1.00 0.00 C ATOM 1824 OD1 ASP A 117 -4.601 10.370 -17.384 1.00 0.00 O ATOM 1825 OD2 ASP A 117 -3.374 11.337 -15.846 1.00 0.00 O ATOM 0 H ASP A 117 -5.159 7.557 -13.187 1.00 0.00 H new ATOM 0 HA ASP A 117 -4.750 7.931 -16.044 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -6.130 9.891 -15.316 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -4.888 10.297 -14.149 1.00 0.00 H new ATOM 1830 N ILE A 118 -2.985 7.674 -13.402 1.00 0.00 N ATOM 1831 CA ILE A 118 -1.689 7.720 -12.748 1.00 0.00 C ATOM 1832 C ILE A 118 -1.083 6.325 -12.595 1.00 0.00 C ATOM 1833 O ILE A 118 -1.792 5.364 -12.295 1.00 0.00 O ATOM 1834 CB ILE A 118 -1.790 8.418 -11.371 1.00 0.00 C ATOM 1835 CG1 ILE A 118 -1.786 7.436 -10.208 1.00 0.00 C ATOM 1836 CG2 ILE A 118 -3.042 9.257 -11.298 1.00 0.00 C ATOM 1837 CD1 ILE A 118 -0.421 7.291 -9.569 1.00 0.00 C ATOM 0 H ILE A 118 -3.704 7.175 -12.878 1.00 0.00 H new ATOM 0 HA ILE A 118 -1.025 8.303 -13.386 1.00 0.00 H new ATOM 0 HB ILE A 118 -0.904 9.046 -11.281 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.501 7.768 -9.455 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -2.123 6.461 -10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -3.099 9.742 -10.323 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.017 10.016 -12.080 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -3.915 8.620 -11.438 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -0.478 6.579 -8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 118 0.292 6.931 -10.311 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -0.092 8.258 -9.189 1.00 0.00 H new ATOM 1849 N VAL A 119 0.222 6.206 -12.816 1.00 0.00 N ATOM 1850 CA VAL A 119 0.903 4.951 -12.573 1.00 0.00 C ATOM 1851 C VAL A 119 1.760 5.051 -11.308 1.00 0.00 C ATOM 1852 O VAL A 119 2.682 5.858 -11.221 1.00 0.00 O ATOM 1853 CB VAL A 119 1.753 4.525 -13.785 1.00 0.00 C ATOM 1854 CG1 VAL A 119 2.687 5.638 -14.191 1.00 0.00 C ATOM 1855 CG2 VAL A 119 2.516 3.243 -13.490 1.00 0.00 C ATOM 0 H VAL A 119 0.819 6.958 -13.159 1.00 0.00 H new ATOM 0 HA VAL A 119 0.148 4.180 -12.422 1.00 0.00 H new ATOM 0 HB VAL A 119 1.084 4.324 -14.622 1.00 0.00 H new ATOM 0 HG11 VAL A 119 3.280 5.321 -15.049 1.00 0.00 H new ATOM 0 HG12 VAL A 119 2.106 6.521 -14.458 1.00 0.00 H new ATOM 0 HG13 VAL A 119 3.350 5.878 -13.360 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.108 2.963 -14.361 1.00 0.00 H new ATOM 0 HG22 VAL A 119 3.177 3.401 -12.637 1.00 0.00 H new ATOM 0 HG23 VAL A 119 1.811 2.445 -13.259 1.00 0.00 H new ATOM 1865 N TYR A 120 1.420 4.255 -10.314 1.00 0.00 N ATOM 1866 CA TYR A 120 2.118 4.284 -9.037 1.00 0.00 C ATOM 1867 C TYR A 120 2.835 2.974 -8.777 1.00 0.00 C ATOM 1868 O TYR A 120 2.221 1.911 -8.738 1.00 0.00 O ATOM 1869 CB TYR A 120 1.116 4.587 -7.924 1.00 0.00 C ATOM 1870 CG TYR A 120 1.528 4.159 -6.533 1.00 0.00 C ATOM 1871 CD1 TYR A 120 2.452 4.879 -5.783 1.00 0.00 C ATOM 1872 CD2 TYR A 120 0.960 3.035 -5.963 1.00 0.00 C ATOM 1873 CE1 TYR A 120 2.792 4.477 -4.501 1.00 0.00 C ATOM 1874 CE2 TYR A 120 1.295 2.626 -4.694 1.00 0.00 C ATOM 1875 CZ TYR A 120 2.207 3.347 -3.966 1.00 0.00 C ATOM 1876 OH TYR A 120 2.524 2.938 -2.695 1.00 0.00 O ATOM 0 H TYR A 120 0.661 3.575 -10.363 1.00 0.00 H new ATOM 0 HA TYR A 120 2.875 5.068 -9.063 1.00 0.00 H new ATOM 0 HB2 TYR A 120 0.928 5.661 -7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 120 0.172 4.101 -8.169 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.910 5.762 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 120 0.237 2.465 -6.527 1.00 0.00 H new ATOM 0 HE1 TYR A 120 3.509 5.043 -3.925 1.00 0.00 H new ATOM 0 HE2 TYR A 120 0.842 1.741 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 120 2.265 2.000 -2.579 1.00 0.00 H new ATOM 1886 N LYS A 121 4.135 3.060 -8.608 1.00 0.00 N ATOM 1887 CA LYS A 121 4.924 1.897 -8.267 1.00 0.00 C ATOM 1888 C LYS A 121 5.717 2.183 -7.002 1.00 0.00 C ATOM 1889 O LYS A 121 6.257 3.264 -6.838 1.00 0.00 O ATOM 1890 CB LYS A 121 5.863 1.522 -9.407 1.00 0.00 C ATOM 1891 CG LYS A 121 6.392 0.116 -9.304 1.00 0.00 C ATOM 1892 CD LYS A 121 7.644 -0.072 -10.119 1.00 0.00 C ATOM 1893 CE LYS A 121 8.811 0.718 -9.541 1.00 0.00 C ATOM 1894 NZ LYS A 121 10.006 0.695 -10.426 1.00 0.00 N ATOM 0 H LYS A 121 4.669 3.924 -8.701 1.00 0.00 H new ATOM 0 HA LYS A 121 4.255 1.054 -8.096 1.00 0.00 H new ATOM 0 HB2 LYS A 121 5.337 1.636 -10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 121 6.702 2.218 -9.422 1.00 0.00 H new ATOM 0 HG2 LYS A 121 6.599 -0.119 -8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 121 5.629 -0.585 -9.643 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.901 -1.131 -10.153 1.00 0.00 H new ATOM 0 HD3 LYS A 121 7.462 0.245 -11.146 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.502 1.751 -9.379 1.00 0.00 H new ATOM 0 HE3 LYS A 121 9.076 0.308 -8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 10.772 1.246 -9.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 10.319 -0.287 -10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.763 1.110 -11.348 1.00 0.00 H new ATOM 1908 N ARG A 122 5.763 1.224 -6.111 1.00 0.00 N ATOM 1909 CA ARG A 122 6.391 1.409 -4.817 1.00 0.00 C ATOM 1910 C ARG A 122 7.331 0.265 -4.481 1.00 0.00 C ATOM 1911 O ARG A 122 6.950 -0.906 -4.527 1.00 0.00 O ATOM 1912 CB ARG A 122 5.301 1.524 -3.754 1.00 0.00 C ATOM 1913 CG ARG A 122 5.770 1.303 -2.325 1.00 0.00 C ATOM 1914 CD ARG A 122 4.573 1.105 -1.417 1.00 0.00 C ATOM 1915 NE ARG A 122 4.934 0.661 -0.077 1.00 0.00 N ATOM 1916 CZ ARG A 122 4.047 0.367 0.871 1.00 0.00 C ATOM 1917 NH1 ARG A 122 2.746 0.486 0.628 1.00 0.00 N ATOM 1918 NH2 ARG A 122 4.465 -0.050 2.057 1.00 0.00 N ATOM 0 H ARG A 122 5.369 0.295 -6.257 1.00 0.00 H new ATOM 0 HA ARG A 122 6.988 2.320 -4.846 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.850 2.514 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 122 4.517 0.800 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 122 6.422 0.431 -2.277 1.00 0.00 H new ATOM 0 HG3 ARG A 122 6.356 2.158 -1.988 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.021 2.042 -1.345 1.00 0.00 H new ATOM 0 HD3 ARG A 122 3.902 0.373 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 122 5.925 0.570 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.425 0.803 -0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.068 0.260 1.356 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.464 -0.145 2.241 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.788 -0.276 2.786 1.00 0.00 H new ATOM 1932 N VAL A 123 8.555 0.619 -4.143 1.00 0.00 N ATOM 1933 CA VAL A 123 9.495 -0.328 -3.589 1.00 0.00 C ATOM 1934 C VAL A 123 9.563 -0.115 -2.083 1.00 0.00 C ATOM 1935 O VAL A 123 9.647 1.015 -1.597 1.00 0.00 O ATOM 1936 CB VAL A 123 10.899 -0.211 -4.231 1.00 0.00 C ATOM 1937 CG1 VAL A 123 11.570 1.098 -3.897 1.00 0.00 C ATOM 1938 CG2 VAL A 123 11.763 -1.398 -3.830 1.00 0.00 C ATOM 0 H VAL A 123 8.922 1.565 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 123 9.147 -1.337 -3.810 1.00 0.00 H new ATOM 0 HB VAL A 123 10.772 -0.226 -5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 123 12.552 1.134 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 123 10.960 1.924 -4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 123 11.684 1.183 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 123 12.747 -1.303 -4.288 1.00 0.00 H new ATOM 0 HG22 VAL A 123 11.869 -1.421 -2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 123 11.293 -2.321 -4.169 1.00 0.00 H new ATOM 1948 N SER A 124 9.390 -1.190 -1.354 1.00 0.00 N ATOM 1949 CA SER A 124 9.485 -1.174 0.093 1.00 0.00 C ATOM 1950 C SER A 124 10.322 -2.367 0.561 1.00 0.00 C ATOM 1951 O SER A 124 10.082 -3.482 0.121 1.00 0.00 O ATOM 1952 CB SER A 124 8.066 -1.218 0.651 1.00 0.00 C ATOM 1953 OG SER A 124 7.454 0.049 0.499 1.00 0.00 O ATOM 0 H SER A 124 9.178 -2.108 -1.746 1.00 0.00 H new ATOM 0 HA SER A 124 9.979 -0.272 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 124 7.484 -1.979 0.131 1.00 0.00 H new ATOM 0 HB3 SER A 124 8.088 -1.498 1.704 1.00 0.00 H new ATOM 0 HG SER A 124 8.041 0.635 -0.023 1.00 0.00 H new ATOM 1959 N LYS A 125 11.293 -2.156 1.443 1.00 0.00 N ATOM 1960 CA LYS A 125 12.244 -3.219 1.755 1.00 0.00 C ATOM 1961 C LYS A 125 12.218 -3.568 3.236 1.00 0.00 C ATOM 1962 O LYS A 125 12.029 -2.702 4.082 1.00 0.00 O ATOM 1963 CB LYS A 125 13.661 -2.817 1.333 1.00 0.00 C ATOM 1964 CG LYS A 125 14.293 -1.755 2.206 1.00 0.00 C ATOM 1965 CD LYS A 125 15.737 -1.521 1.823 1.00 0.00 C ATOM 1966 CE LYS A 125 16.591 -2.657 2.334 1.00 0.00 C ATOM 1967 NZ LYS A 125 17.842 -2.812 1.551 1.00 0.00 N ATOM 0 H LYS A 125 11.442 -1.281 1.945 1.00 0.00 H new ATOM 0 HA LYS A 125 11.946 -4.104 1.192 1.00 0.00 H new ATOM 0 HB2 LYS A 125 14.295 -3.703 1.342 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.633 -2.456 0.305 1.00 0.00 H new ATOM 0 HG2 LYS A 125 13.734 -0.824 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.236 -2.058 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 125 15.828 -1.444 0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 125 16.085 -0.576 2.240 1.00 0.00 H new ATOM 0 HE2 LYS A 125 16.839 -2.481 3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 125 16.021 -3.585 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 18.397 -3.603 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 17.607 -3.006 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 18.400 -1.936 1.611 1.00 0.00 H new ATOM 1981 N ARG A 126 12.419 -4.845 3.535 1.00 0.00 N ATOM 1982 CA ARG A 126 12.385 -5.334 4.907 1.00 0.00 C ATOM 1983 C ARG A 126 13.587 -4.837 5.692 1.00 0.00 C ATOM 1984 O ARG A 126 14.658 -4.594 5.130 1.00 0.00 O ATOM 1985 CB ARG A 126 12.328 -6.859 4.954 1.00 0.00 C ATOM 1986 CG ARG A 126 12.077 -7.418 6.347 1.00 0.00 C ATOM 1987 CD ARG A 126 12.176 -8.930 6.362 1.00 0.00 C ATOM 1988 NE ARG A 126 12.042 -9.474 7.710 1.00 0.00 N ATOM 1989 CZ ARG A 126 12.761 -10.495 8.167 1.00 0.00 C ATOM 1990 NH1 ARG A 126 13.681 -11.058 7.392 1.00 0.00 N ATOM 1991 NH2 ARG A 126 12.573 -10.936 9.402 1.00 0.00 N ATOM 0 H ARG A 126 12.609 -5.566 2.839 1.00 0.00 H new ATOM 0 HA ARG A 126 11.478 -4.942 5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 126 11.540 -7.205 4.285 1.00 0.00 H new ATOM 0 HB3 ARG A 126 13.267 -7.261 4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 126 12.801 -6.998 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 126 11.088 -7.113 6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 126 11.400 -9.350 5.723 1.00 0.00 H new ATOM 0 HD3 ARG A 126 13.135 -9.235 5.942 1.00 0.00 H new ATOM 0 HE ARG A 126 11.359 -9.047 8.336 1.00 0.00 H new ATOM 0 HH11 ARG A 126 13.836 -10.707 6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 126 14.233 -11.841 7.742 1.00 0.00 H new ATOM 0 HH21 ARG A 126 11.877 -10.492 10.002 1.00 0.00 H new ATOM 0 HH22 ARG A 126 13.124 -11.719 9.753 1.00 0.00 H new ATOM 2005 N ILE A 127 13.398 -4.699 6.987 1.00 0.00 N ATOM 2006 CA ILE A 127 14.385 -4.136 7.857 1.00 0.00 C ATOM 2007 C ILE A 127 15.441 -5.161 8.254 1.00 0.00 C ATOM 2008 O ILE A 127 15.112 -6.105 8.997 1.00 0.00 O ATOM 2009 CB ILE A 127 13.723 -3.604 9.103 1.00 0.00 C ATOM 2010 CG1 ILE A 127 12.664 -4.551 9.579 1.00 0.00 C ATOM 2011 CG2 ILE A 127 13.115 -2.256 8.823 1.00 0.00 C ATOM 2012 CD1 ILE A 127 12.169 -4.115 10.904 1.00 0.00 C ATOM 2013 OXT ILE A 127 16.603 -5.015 7.818 1.00 0.00 O ATOM 0 H ILE A 127 12.541 -4.981 7.462 1.00 0.00 H new ATOM 0 HA ILE A 127 14.878 -3.329 7.315 1.00 0.00 H new ATOM 0 HB ILE A 127 14.478 -3.504 9.883 1.00 0.00 H new ATOM 0 HG12 ILE A 127 11.842 -4.582 8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 127 13.068 -5.561 9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 127 12.638 -1.877 9.727 1.00 0.00 H new ATOM 0 HG22 ILE A 127 13.895 -1.564 8.507 1.00 0.00 H new ATOM 0 HG23 ILE A 127 12.371 -2.350 8.032 1.00 0.00 H new ATOM 0 HD11 ILE A 127 11.399 -4.804 11.250 1.00 0.00 H new ATOM 0 HD12 ILE A 127 12.994 -4.107 11.616 1.00 0.00 H new ATOM 0 HD13 ILE A 127 11.749 -3.112 10.824 1.00 0.00 H new