USER MOD reduce.3.24.130724 H: found=0, std=0, add=1003, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1003 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 9 TYR OH : rot 180:sc= 0.0165 USER MOD Set 1.2: A 126 SER OG : rot -138:sc= 0.889 USER MOD Set 2.1: A 46 ASN : amide:sc= 0.0647 X(o=-2.4,f=-2.2) USER MOD Set 2.2: A 49 HIS : no HD1:sc= -2.49! C(o=-2.4!,f=-3.6!) USER MOD Set 3.1: A 12 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.8!) USER MOD Set 3.2: A 127 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00205) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.71) USER MOD Single : A 16 ASN : amide:sc= -2.22! K(o=-2.2!,f=-0.26) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc=-0.00123 X(o=-0.0012,f=-0.11) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot -48:sc= 0.629 USER MOD Single : A 45 GLN : amide:sc= -0.0418 K(o=-0.042,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 168:sc= 0.303 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.21! C(o=-1.2!,f=-9.1!) USER MOD Single : A 63 ASN : amide:sc= -1.96 K(o=-2,f=-3.1!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot -150:sc= 0.195 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot -160:sc= 0.0918 USER MOD Single : A 86 GLN : amide:sc= -0.291 K(o=-0.29,f=-3!) USER MOD Single : A 91 ASN : amide:sc= -5.65! C(o=-5.6!,f=-8.3!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 98 LYS NZ :NH3+ -166:sc=-0.00296 (180deg=-0.0619) USER MOD Single : A 99 ASN : amide:sc= -0.17 K(o=-0.17,f=-2.3!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot -102:sc= 1.08 USER MOD Single : A 104 THR OG1 : rot -120:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -0.96 K(o=-0.96,f=-2!) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -5.6! C(o=-5.6!,f=-18!) USER MOD Single : A 114 THR OG1 : rot -150:sc= -1.21 USER MOD Single : A 115 MET CE :methyl -141:sc= -1.17 (180deg=-4.96!) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 67 N SER A 6 -12.211 -7.791 -4.912 1.00 0.00 N ATOM 68 CA SER A 6 -12.507 -6.509 -5.529 1.00 0.00 C ATOM 69 C SER A 6 -13.667 -5.831 -4.797 1.00 0.00 C ATOM 70 O SER A 6 -14.831 -6.066 -5.120 1.00 0.00 O ATOM 71 CB SER A 6 -12.839 -6.676 -7.013 1.00 0.00 C ATOM 72 OG SER A 6 -13.310 -5.463 -7.594 1.00 0.00 O ATOM 0 HA SER A 6 -11.621 -5.879 -5.452 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.951 -7.013 -7.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.595 -7.452 -7.130 1.00 0.00 H new ATOM 0 HG SER A 6 -13.510 -5.610 -8.542 1.00 0.00 H new ATOM 78 N GLY A 7 -13.310 -5.002 -3.827 1.00 0.00 N ATOM 79 CA GLY A 7 -14.307 -4.289 -3.048 1.00 0.00 C ATOM 80 C GLY A 7 -13.849 -2.861 -2.747 1.00 0.00 C ATOM 81 O GLY A 7 -13.206 -2.223 -3.580 1.00 0.00 O ATOM 0 H GLY A 7 -12.344 -4.808 -3.563 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.251 -4.265 -3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.492 -4.820 -2.114 1.00 0.00 H new ATOM 85 N LYS A 8 -14.196 -2.401 -1.554 1.00 0.00 N ATOM 86 CA LYS A 8 -13.828 -1.060 -1.133 1.00 0.00 C ATOM 87 C LYS A 8 -13.036 -1.140 0.174 1.00 0.00 C ATOM 88 O LYS A 8 -13.198 -2.084 0.946 1.00 0.00 O ATOM 89 CB LYS A 8 -15.067 -0.167 -1.047 1.00 0.00 C ATOM 90 CG LYS A 8 -14.771 1.234 -1.586 1.00 0.00 C ATOM 91 CD LYS A 8 -15.580 2.294 -0.834 1.00 0.00 C ATOM 92 CE LYS A 8 -16.272 3.250 -1.809 1.00 0.00 C ATOM 93 NZ LYS A 8 -17.656 3.529 -1.366 1.00 0.00 N ATOM 0 H LYS A 8 -14.728 -2.933 -0.866 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.177 -0.593 -1.873 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.882 -0.614 -1.615 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.400 -0.099 -0.011 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.707 1.447 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.009 1.276 -2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.326 1.809 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.922 2.857 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.710 4.182 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.284 2.814 -2.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -18.111 4.179 -2.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -18.194 2.640 -1.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -17.637 3.965 -0.422 1.00 0.00 H new ATOM 106 N TYR A 9 -12.196 -0.136 0.381 1.00 0.00 N ATOM 107 CA TYR A 9 -11.379 -0.082 1.581 1.00 0.00 C ATOM 108 C TYR A 9 -11.437 1.306 2.223 1.00 0.00 C ATOM 109 O TYR A 9 -11.416 2.319 1.523 1.00 0.00 O ATOM 110 CB TYR A 9 -9.944 -0.359 1.128 1.00 0.00 C ATOM 111 CG TYR A 9 -8.876 0.300 2.002 1.00 0.00 C ATOM 112 CD1 TYR A 9 -8.951 0.200 3.376 1.00 0.00 C ATOM 113 CD2 TYR A 9 -7.837 0.995 1.416 1.00 0.00 C ATOM 114 CE1 TYR A 9 -7.945 0.820 4.200 1.00 0.00 C ATOM 115 CE2 TYR A 9 -6.831 1.615 2.240 1.00 0.00 C ATOM 116 CZ TYR A 9 -6.935 1.497 3.591 1.00 0.00 C ATOM 117 OH TYR A 9 -5.985 2.082 4.368 1.00 0.00 O ATOM 0 H TYR A 9 -12.064 0.645 -0.261 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.733 -0.804 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.778 -1.436 1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.824 -0.011 0.102 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.764 -0.343 3.834 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.778 1.074 0.340 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.992 0.749 5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.013 2.161 1.795 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.326 2.529 3.797 1.00 0.00 H new ATOM 127 N GLN A 10 -11.511 1.311 3.545 1.00 0.00 N ATOM 128 CA GLN A 10 -11.574 2.557 4.289 1.00 0.00 C ATOM 129 C GLN A 10 -10.553 2.549 5.427 1.00 0.00 C ATOM 130 O GLN A 10 -10.456 1.574 6.171 1.00 0.00 O ATOM 131 CB GLN A 10 -12.987 2.809 4.820 1.00 0.00 C ATOM 132 CG GLN A 10 -13.497 4.185 4.390 1.00 0.00 C ATOM 133 CD GLN A 10 -14.894 4.452 4.956 1.00 0.00 C ATOM 134 OE1 GLN A 10 -15.738 3.575 5.036 1.00 0.00 O ATOM 135 NE2 GLN A 10 -15.089 5.710 5.342 1.00 0.00 N ATOM 0 H GLN A 10 -11.529 0.470 4.122 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.326 3.374 3.611 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.661 2.036 4.451 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -12.988 2.740 5.908 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.808 4.956 4.734 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -13.524 4.243 3.302 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.339 6.395 5.247 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.989 5.990 5.733 1.00 0.00 H new ATOM 144 N LEU A 11 -9.817 3.645 5.528 1.00 0.00 N ATOM 145 CA LEU A 11 -8.806 3.776 6.565 1.00 0.00 C ATOM 146 C LEU A 11 -9.438 3.481 7.927 1.00 0.00 C ATOM 147 O LEU A 11 -10.303 4.224 8.387 1.00 0.00 O ATOM 148 CB LEU A 11 -8.131 5.147 6.484 1.00 0.00 C ATOM 149 CG LEU A 11 -6.887 5.333 7.356 1.00 0.00 C ATOM 150 CD1 LEU A 11 -7.165 4.921 8.802 1.00 0.00 C ATOM 151 CD2 LEU A 11 -5.688 4.587 6.767 1.00 0.00 C ATOM 0 H LEU A 11 -9.900 4.451 4.909 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.011 3.045 6.417 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.855 5.333 5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.862 5.907 6.761 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.633 6.393 7.367 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.265 5.063 9.400 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.970 5.534 9.207 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.458 3.872 8.831 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.817 4.736 7.406 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.916 3.523 6.706 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.475 4.970 5.769 1.00 0.00 H new ATOM 163 N GLN A 12 -8.980 2.394 8.532 1.00 0.00 N ATOM 164 CA GLN A 12 -9.489 1.992 9.832 1.00 0.00 C ATOM 165 C GLN A 12 -8.624 2.583 10.946 1.00 0.00 C ATOM 166 O GLN A 12 -9.122 3.312 11.803 1.00 0.00 O ATOM 167 CB GLN A 12 -9.563 0.468 9.944 1.00 0.00 C ATOM 168 CG GLN A 12 -10.981 0.011 10.290 1.00 0.00 C ATOM 169 CD GLN A 12 -10.966 -1.009 11.431 1.00 0.00 C ATOM 170 OE1 GLN A 12 -9.924 -1.444 11.895 1.00 0.00 O ATOM 171 NE2 GLN A 12 -12.175 -1.365 11.855 1.00 0.00 N ATOM 0 H GLN A 12 -8.263 1.780 8.146 1.00 0.00 H new ATOM 0 HA GLN A 12 -10.502 2.381 9.941 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -9.251 0.015 9.003 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.869 0.122 10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.585 0.872 10.575 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.450 -0.429 9.410 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.006 -0.962 11.422 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.271 -2.041 12.613 1.00 0.00 H new ATOM 180 N SER A 13 -7.344 2.247 10.899 1.00 0.00 N ATOM 181 CA SER A 13 -6.405 2.735 11.896 1.00 0.00 C ATOM 182 C SER A 13 -5.021 2.916 11.266 1.00 0.00 C ATOM 183 O SER A 13 -4.781 2.465 10.147 1.00 0.00 O ATOM 184 CB SER A 13 -6.323 1.782 13.089 1.00 0.00 C ATOM 185 OG SER A 13 -6.688 2.422 14.309 1.00 0.00 O ATOM 0 H SER A 13 -6.934 1.643 10.187 1.00 0.00 H new ATOM 0 HA SER A 13 -6.762 3.699 12.259 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.979 0.928 12.917 1.00 0.00 H new ATOM 0 HB3 SER A 13 -5.308 1.393 13.173 1.00 0.00 H new ATOM 0 HG SER A 13 -6.625 1.780 15.047 1.00 0.00 H new ATOM 191 N GLN A 14 -4.149 3.576 12.013 1.00 0.00 N ATOM 192 CA GLN A 14 -2.797 3.823 11.542 1.00 0.00 C ATOM 193 C GLN A 14 -1.815 3.805 12.715 1.00 0.00 C ATOM 194 O GLN A 14 -2.156 4.219 13.821 1.00 0.00 O ATOM 195 CB GLN A 14 -2.714 5.147 10.778 1.00 0.00 C ATOM 196 CG GLN A 14 -2.279 4.917 9.330 1.00 0.00 C ATOM 197 CD GLN A 14 -2.636 6.119 8.453 1.00 0.00 C ATOM 198 OE1 GLN A 14 -2.908 7.209 8.930 1.00 0.00 O ATOM 199 NE2 GLN A 14 -2.620 5.861 7.149 1.00 0.00 N ATOM 0 H GLN A 14 -4.352 3.947 12.941 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.523 3.026 10.851 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.685 5.643 10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.007 5.813 11.273 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -1.204 4.742 9.293 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.762 4.021 8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.384 4.926 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.844 6.598 6.481 1.00 0.00 H new ATOM 208 N GLU A 15 -0.614 3.321 12.433 1.00 0.00 N ATOM 209 CA GLU A 15 0.420 3.243 13.451 1.00 0.00 C ATOM 210 C GLU A 15 1.702 3.918 12.959 1.00 0.00 C ATOM 211 O GLU A 15 2.219 3.576 11.896 1.00 0.00 O ATOM 212 CB GLU A 15 0.685 1.791 13.854 1.00 0.00 C ATOM 213 CG GLU A 15 1.178 1.704 15.299 1.00 0.00 C ATOM 214 CD GLU A 15 1.331 0.247 15.740 1.00 0.00 C ATOM 215 OE1 GLU A 15 0.374 -0.348 16.256 1.00 0.00 O ATOM 216 OE2 GLU A 15 2.496 -0.267 15.529 1.00 0.00 O ATOM 0 H GLU A 15 -0.334 2.979 11.514 1.00 0.00 H new ATOM 0 HA GLU A 15 0.070 3.773 14.337 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.228 1.206 13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.427 1.354 13.186 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.135 2.218 15.392 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.476 2.215 15.958 1.00 0.00 H new ATOM 224 N ASN A 16 2.177 4.866 13.754 1.00 0.00 N ATOM 225 CA ASN A 16 3.388 5.592 13.412 1.00 0.00 C ATOM 226 C ASN A 16 3.329 6.008 11.941 1.00 0.00 C ATOM 227 O ASN A 16 4.328 5.923 11.228 1.00 0.00 O ATOM 228 CB ASN A 16 4.628 4.717 13.606 1.00 0.00 C ATOM 229 CG ASN A 16 5.087 4.733 15.066 1.00 0.00 C ATOM 230 OD1 ASN A 16 4.306 4.583 15.991 1.00 0.00 O ATOM 231 ND2 ASN A 16 6.395 4.922 15.220 1.00 0.00 N ATOM 0 H ASN A 16 1.745 5.148 14.634 1.00 0.00 H new ATOM 0 HA ASN A 16 3.455 6.463 14.064 1.00 0.00 H new ATOM 0 HB2 ASN A 16 4.407 3.694 13.302 1.00 0.00 H new ATOM 0 HB3 ASN A 16 5.433 5.074 12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.800 4.948 16.156 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.993 5.041 14.402 1.00 0.00 H new ATOM 238 N PHE A 17 2.150 6.451 11.531 1.00 0.00 N ATOM 239 CA PHE A 17 1.949 6.881 10.157 1.00 0.00 C ATOM 240 C PHE A 17 2.801 8.111 9.838 1.00 0.00 C ATOM 241 O PHE A 17 3.466 8.157 8.804 1.00 0.00 O ATOM 242 CB PHE A 17 0.470 7.249 10.017 1.00 0.00 C ATOM 243 CG PHE A 17 0.001 8.327 10.997 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.104 9.642 10.663 1.00 0.00 C ATOM 245 CD2 PHE A 17 -0.518 7.970 12.202 1.00 0.00 C ATOM 246 CE1 PHE A 17 -0.331 10.641 11.572 1.00 0.00 C ATOM 247 CE2 PHE A 17 -0.953 8.970 13.112 1.00 0.00 C ATOM 248 CZ PHE A 17 -0.850 10.284 12.778 1.00 0.00 C ATOM 0 H PHE A 17 1.324 6.522 12.125 1.00 0.00 H new ATOM 0 HA PHE A 17 2.237 6.085 9.471 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.287 7.593 8.999 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.132 6.352 10.164 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.517 9.925 9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.599 6.926 12.467 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.250 11.685 11.307 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.366 8.687 14.069 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.180 11.044 13.470 1.00 0.00 H new ATOM 258 N GLU A 18 2.753 9.077 10.744 1.00 0.00 N ATOM 259 CA GLU A 18 3.513 10.303 10.571 1.00 0.00 C ATOM 260 C GLU A 18 5.003 10.041 10.801 1.00 0.00 C ATOM 261 O GLU A 18 5.849 10.816 10.358 1.00 0.00 O ATOM 262 CB GLU A 18 2.999 11.402 11.502 1.00 0.00 C ATOM 263 CG GLU A 18 3.682 11.328 12.869 1.00 0.00 C ATOM 264 CD GLU A 18 2.741 11.799 13.979 1.00 0.00 C ATOM 265 OE1 GLU A 18 1.758 12.501 13.701 1.00 0.00 O ATOM 266 OE2 GLU A 18 3.059 11.409 15.167 1.00 0.00 O ATOM 0 H GLU A 18 2.200 9.035 11.600 1.00 0.00 H new ATOM 0 HA GLU A 18 3.379 10.649 9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.181 12.378 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.920 11.304 11.625 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.999 10.304 13.066 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.581 11.944 12.864 1.00 0.00 H new ATOM 274 N ALA A 19 5.278 8.946 11.495 1.00 0.00 N ATOM 275 CA ALA A 19 6.651 8.573 11.790 1.00 0.00 C ATOM 276 C ALA A 19 7.365 8.200 10.490 1.00 0.00 C ATOM 277 O ALA A 19 8.548 8.491 10.321 1.00 0.00 O ATOM 278 CB ALA A 19 6.662 7.432 12.811 1.00 0.00 C ATOM 0 H ALA A 19 4.574 8.306 11.861 1.00 0.00 H new ATOM 0 HA ALA A 19 7.190 9.411 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.692 7.152 13.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.170 7.759 13.727 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.132 6.572 12.401 1.00 0.00 H new ATOM 284 N PHE A 20 6.615 7.561 9.604 1.00 0.00 N ATOM 285 CA PHE A 20 7.161 7.145 8.322 1.00 0.00 C ATOM 286 C PHE A 20 7.554 8.357 7.475 1.00 0.00 C ATOM 287 O PHE A 20 8.409 8.252 6.596 1.00 0.00 O ATOM 288 CB PHE A 20 6.060 6.367 7.598 1.00 0.00 C ATOM 289 CG PHE A 20 6.542 5.621 6.353 1.00 0.00 C ATOM 290 CD1 PHE A 20 6.562 6.252 5.148 1.00 0.00 C ATOM 291 CD2 PHE A 20 6.951 4.328 6.449 1.00 0.00 C ATOM 292 CE1 PHE A 20 7.009 5.561 3.991 1.00 0.00 C ATOM 293 CE2 PHE A 20 7.398 3.636 5.293 1.00 0.00 C ATOM 294 CZ PHE A 20 7.418 4.267 4.088 1.00 0.00 C ATOM 0 H PHE A 20 5.634 7.321 9.748 1.00 0.00 H new ATOM 0 HA PHE A 20 8.053 6.538 8.477 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.620 5.650 8.291 1.00 0.00 H new ATOM 0 HB3 PHE A 20 5.269 7.059 7.311 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.238 7.279 5.071 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.936 3.827 7.406 1.00 0.00 H new ATOM 0 HE1 PHE A 20 7.024 6.062 3.034 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.722 2.609 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.758 3.741 3.208 1.00 0.00 H new ATOM 304 N MET A 21 6.913 9.478 7.768 1.00 0.00 N ATOM 305 CA MET A 21 7.185 10.708 7.044 1.00 0.00 C ATOM 306 C MET A 21 8.378 11.449 7.650 1.00 0.00 C ATOM 307 O MET A 21 9.152 12.080 6.932 1.00 0.00 O ATOM 308 CB MET A 21 5.950 11.609 7.086 1.00 0.00 C ATOM 309 CG MET A 21 4.896 11.143 6.078 1.00 0.00 C ATOM 310 SD MET A 21 3.374 10.750 6.925 1.00 0.00 S ATOM 311 CE MET A 21 2.192 11.285 5.698 1.00 0.00 C ATOM 0 H MET A 21 6.205 9.561 8.498 1.00 0.00 H new ATOM 0 HA MET A 21 7.426 10.454 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.526 11.604 8.090 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.238 12.637 6.867 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.719 11.923 5.338 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.258 10.268 5.539 1.00 0.00 H new ATOM 0 HE1 MET A 21 1.181 11.111 6.066 1.00 0.00 H new ATOM 0 HE2 MET A 21 2.328 12.348 5.501 1.00 0.00 H new ATOM 0 HE3 MET A 21 2.344 10.723 4.777 1.00 0.00 H new ATOM 321 N LYS A 22 8.491 11.346 8.967 1.00 0.00 N ATOM 322 CA LYS A 22 9.577 12.000 9.678 1.00 0.00 C ATOM 323 C LYS A 22 10.896 11.301 9.338 1.00 0.00 C ATOM 324 O LYS A 22 11.957 11.921 9.376 1.00 0.00 O ATOM 325 CB LYS A 22 9.279 12.053 11.178 1.00 0.00 C ATOM 326 CG LYS A 22 8.108 12.994 11.471 1.00 0.00 C ATOM 327 CD LYS A 22 8.603 14.319 12.055 1.00 0.00 C ATOM 328 CE LYS A 22 7.652 15.463 11.698 1.00 0.00 C ATOM 329 NZ LYS A 22 8.069 16.712 12.374 1.00 0.00 N ATOM 0 H LYS A 22 7.849 10.820 9.560 1.00 0.00 H new ATOM 0 HA LYS A 22 9.673 13.038 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.046 11.052 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.165 12.390 11.717 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.550 13.182 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.421 12.518 12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.686 14.235 13.139 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.601 14.538 11.675 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.642 15.612 10.618 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.635 15.204 11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.413 17.479 12.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.056 16.570 13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.031 16.966 12.072 1.00 0.00 H new ATOM 342 N ALA A 23 10.784 10.022 9.011 1.00 0.00 N ATOM 343 CA ALA A 23 11.954 9.234 8.664 1.00 0.00 C ATOM 344 C ALA A 23 12.664 9.881 7.474 1.00 0.00 C ATOM 345 O ALA A 23 13.881 10.063 7.495 1.00 0.00 O ATOM 346 CB ALA A 23 11.531 7.792 8.377 1.00 0.00 C ATOM 0 H ALA A 23 9.901 9.512 8.979 1.00 0.00 H new ATOM 0 HA ALA A 23 12.660 9.208 9.494 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.409 7.200 8.117 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.058 7.369 9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 23 10.825 7.778 7.547 1.00 0.00 H new ATOM 352 N ILE A 24 11.875 10.211 6.462 1.00 0.00 N ATOM 353 CA ILE A 24 12.414 10.834 5.265 1.00 0.00 C ATOM 354 C ILE A 24 12.616 12.329 5.520 1.00 0.00 C ATOM 355 O ILE A 24 13.412 12.976 4.840 1.00 0.00 O ATOM 356 CB ILE A 24 11.525 10.531 4.057 1.00 0.00 C ATOM 357 CG1 ILE A 24 10.349 11.508 3.983 1.00 0.00 C ATOM 358 CG2 ILE A 24 11.060 9.074 4.070 1.00 0.00 C ATOM 359 CD1 ILE A 24 9.421 11.162 2.816 1.00 0.00 C ATOM 0 H ILE A 24 10.867 10.059 6.446 1.00 0.00 H new ATOM 0 HA ILE A 24 13.392 10.416 5.025 1.00 0.00 H new ATOM 0 HB ILE A 24 12.118 10.671 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.789 11.480 4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.723 12.525 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.430 8.885 3.201 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.928 8.415 4.039 1.00 0.00 H new ATOM 0 HG23 ILE A 24 10.491 8.882 4.979 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.594 11.871 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 24 9.978 11.214 1.880 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.029 10.154 2.949 1.00 0.00 H new ATOM 371 N GLY A 25 11.884 12.834 6.502 1.00 0.00 N ATOM 372 CA GLY A 25 11.973 14.240 6.854 1.00 0.00 C ATOM 373 C GLY A 25 10.867 15.048 6.172 1.00 0.00 C ATOM 374 O GLY A 25 11.147 16.018 5.468 1.00 0.00 O ATOM 0 H GLY A 25 11.227 12.294 7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.897 14.353 7.935 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.947 14.631 6.561 1.00 0.00 H new ATOM 378 N LEU A 26 9.635 14.620 6.405 1.00 0.00 N ATOM 379 CA LEU A 26 8.487 15.292 5.822 1.00 0.00 C ATOM 380 C LEU A 26 7.977 16.359 6.793 1.00 0.00 C ATOM 381 O LEU A 26 7.989 16.155 8.006 1.00 0.00 O ATOM 382 CB LEU A 26 7.421 14.273 5.413 1.00 0.00 C ATOM 383 CG LEU A 26 6.981 14.314 3.948 1.00 0.00 C ATOM 384 CD1 LEU A 26 8.190 14.394 3.014 1.00 0.00 C ATOM 385 CD2 LEU A 26 6.076 13.127 3.614 1.00 0.00 C ATOM 0 H LEU A 26 9.407 13.816 6.990 1.00 0.00 H new ATOM 0 HA LEU A 26 8.773 15.807 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.799 13.274 5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.542 14.424 6.040 1.00 0.00 H new ATOM 0 HG LEU A 26 6.394 15.220 3.793 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.849 14.422 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.760 15.297 3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.824 13.520 3.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.778 13.180 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.616 12.197 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.189 13.157 4.246 1.00 0.00 H new ATOM 397 N PRO A 27 7.529 17.502 6.209 1.00 0.00 N ATOM 398 CA PRO A 27 7.016 18.601 7.009 1.00 0.00 C ATOM 399 C PRO A 27 5.617 18.284 7.541 1.00 0.00 C ATOM 400 O PRO A 27 5.018 17.277 7.165 1.00 0.00 O ATOM 401 CB PRO A 27 7.041 19.806 6.084 1.00 0.00 C ATOM 402 CG PRO A 27 7.126 19.247 4.672 1.00 0.00 C ATOM 403 CD PRO A 27 7.500 17.778 4.775 1.00 0.00 C ATOM 0 HA PRO A 27 7.614 18.788 7.901 1.00 0.00 H new ATOM 0 HB2 PRO A 27 6.145 20.414 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.895 20.448 6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.172 19.363 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.870 19.791 4.090 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.772 17.147 4.265 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.468 17.583 4.315 1.00 0.00 H new ATOM 411 N GLU A 28 5.137 19.163 8.408 1.00 0.00 N ATOM 412 CA GLU A 28 3.820 18.991 8.996 1.00 0.00 C ATOM 413 C GLU A 28 2.734 19.201 7.939 1.00 0.00 C ATOM 414 O GLU A 28 1.629 18.677 8.065 1.00 0.00 O ATOM 415 CB GLU A 28 3.620 19.936 10.183 1.00 0.00 C ATOM 416 CG GLU A 28 3.554 21.393 9.718 1.00 0.00 C ATOM 417 CD GLU A 28 3.753 22.353 10.893 1.00 0.00 C ATOM 418 OE1 GLU A 28 3.494 21.982 12.048 1.00 0.00 O ATOM 419 OE2 GLU A 28 4.194 23.521 10.572 1.00 0.00 O ATOM 0 H GLU A 28 5.637 19.997 8.717 1.00 0.00 H new ATOM 0 HA GLU A 28 3.743 17.970 9.370 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.701 19.676 10.709 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.439 19.813 10.892 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.320 21.573 8.963 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.590 21.585 9.246 1.00 0.00 H new ATOM 427 N GLU A 29 3.087 19.971 6.919 1.00 0.00 N ATOM 428 CA GLU A 29 2.157 20.258 5.840 1.00 0.00 C ATOM 429 C GLU A 29 1.704 18.959 5.171 1.00 0.00 C ATOM 430 O GLU A 29 0.509 18.744 4.970 1.00 0.00 O ATOM 431 CB GLU A 29 2.779 21.212 4.820 1.00 0.00 C ATOM 432 CG GLU A 29 1.740 22.202 4.290 1.00 0.00 C ATOM 433 CD GLU A 29 2.327 23.071 3.176 1.00 0.00 C ATOM 434 OE1 GLU A 29 3.275 22.649 2.495 1.00 0.00 O ATOM 435 OE2 GLU A 29 1.764 24.222 3.028 1.00 0.00 O ATOM 0 H GLU A 29 4.005 20.405 6.818 1.00 0.00 H new ATOM 0 HA GLU A 29 1.281 20.751 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.603 21.756 5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.198 20.641 3.991 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.874 21.658 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.389 22.836 5.104 1.00 0.00 H new ATOM 443 N LEU A 30 2.682 18.126 4.845 1.00 0.00 N ATOM 444 CA LEU A 30 2.398 16.854 4.203 1.00 0.00 C ATOM 445 C LEU A 30 1.768 15.902 5.222 1.00 0.00 C ATOM 446 O LEU A 30 0.905 15.096 4.875 1.00 0.00 O ATOM 447 CB LEU A 30 3.658 16.297 3.538 1.00 0.00 C ATOM 448 CG LEU A 30 3.969 16.831 2.138 1.00 0.00 C ATOM 449 CD1 LEU A 30 5.437 16.597 1.777 1.00 0.00 C ATOM 450 CD2 LEU A 30 3.020 16.230 1.099 1.00 0.00 C ATOM 0 H LEU A 30 3.671 18.307 5.014 1.00 0.00 H new ATOM 0 HA LEU A 30 1.673 16.986 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.510 16.509 4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.565 15.213 3.479 1.00 0.00 H new ATOM 0 HG LEU A 30 3.805 17.909 2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.632 16.985 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.075 17.110 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.651 15.529 1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.262 16.626 0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.129 15.145 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.992 16.490 1.352 1.00 0.00 H new ATOM 462 N ILE A 31 2.224 16.025 6.460 1.00 0.00 N ATOM 463 CA ILE A 31 1.717 15.187 7.532 1.00 0.00 C ATOM 464 C ILE A 31 0.250 15.532 7.794 1.00 0.00 C ATOM 465 O ILE A 31 -0.582 14.640 7.957 1.00 0.00 O ATOM 466 CB ILE A 31 2.607 15.304 8.771 1.00 0.00 C ATOM 467 CG1 ILE A 31 4.081 15.116 8.407 1.00 0.00 C ATOM 468 CG2 ILE A 31 2.157 14.329 9.863 1.00 0.00 C ATOM 469 CD1 ILE A 31 4.579 13.733 8.830 1.00 0.00 C ATOM 0 H ILE A 31 2.940 16.694 6.744 1.00 0.00 H new ATOM 0 HA ILE A 31 1.751 14.137 7.242 1.00 0.00 H new ATOM 0 HB ILE A 31 2.501 16.311 9.174 1.00 0.00 H new ATOM 0 HG12 ILE A 31 4.212 15.240 7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.680 15.886 8.893 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.806 14.432 10.733 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.129 14.552 10.149 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.215 13.308 9.486 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.629 13.626 8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.469 13.621 9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.994 12.965 8.324 1.00 0.00 H new ATOM 481 N GLN A 32 -0.023 16.829 7.824 1.00 0.00 N ATOM 482 CA GLN A 32 -1.376 17.303 8.063 1.00 0.00 C ATOM 483 C GLN A 32 -2.250 17.057 6.831 1.00 0.00 C ATOM 484 O GLN A 32 -3.467 16.921 6.946 1.00 0.00 O ATOM 485 CB GLN A 32 -1.377 18.783 8.450 1.00 0.00 C ATOM 486 CG GLN A 32 -1.042 18.963 9.932 1.00 0.00 C ATOM 487 CD GLN A 32 -2.060 19.876 10.617 1.00 0.00 C ATOM 488 OE1 GLN A 32 -2.440 20.918 10.109 1.00 0.00 O ATOM 489 NE2 GLN A 32 -2.479 19.429 11.797 1.00 0.00 N ATOM 0 H GLN A 32 0.669 17.565 7.687 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.795 16.742 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.651 19.322 7.841 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.354 19.217 8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.029 17.992 10.426 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.043 19.386 10.034 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.121 18.548 12.165 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.159 19.967 12.334 1.00 0.00 H new ATOM 498 N LYS A 33 -1.595 17.007 5.680 1.00 0.00 N ATOM 499 CA LYS A 33 -2.297 16.780 4.429 1.00 0.00 C ATOM 500 C LYS A 33 -2.380 15.275 4.162 1.00 0.00 C ATOM 501 O LYS A 33 -2.631 14.855 3.034 1.00 0.00 O ATOM 502 CB LYS A 33 -1.641 17.570 3.295 1.00 0.00 C ATOM 503 CG LYS A 33 -2.199 18.993 3.224 1.00 0.00 C ATOM 504 CD LYS A 33 -1.116 19.986 2.796 1.00 0.00 C ATOM 505 CE LYS A 33 -1.737 21.278 2.263 1.00 0.00 C ATOM 506 NZ LYS A 33 -1.445 21.438 0.821 1.00 0.00 N ATOM 0 H LYS A 33 -0.585 17.120 5.588 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.320 17.150 4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.562 17.606 3.448 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.811 17.061 2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.029 19.027 2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.597 19.280 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.469 20.212 3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.488 19.536 2.027 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.815 21.263 2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.345 22.132 2.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.874 22.320 0.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.416 21.474 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.840 20.632 0.295 1.00 0.00 H new ATOM 519 N GLY A 34 -2.166 14.506 5.219 1.00 0.00 N ATOM 520 CA GLY A 34 -2.213 13.058 5.113 1.00 0.00 C ATOM 521 C GLY A 34 -2.953 12.445 6.304 1.00 0.00 C ATOM 522 O GLY A 34 -3.918 11.702 6.125 1.00 0.00 O ATOM 0 H GLY A 34 -1.959 14.859 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.710 12.774 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.199 12.660 5.066 1.00 0.00 H new ATOM 526 N LYS A 35 -2.474 12.779 7.493 1.00 0.00 N ATOM 527 CA LYS A 35 -3.077 12.271 8.713 1.00 0.00 C ATOM 528 C LYS A 35 -4.514 12.786 8.820 1.00 0.00 C ATOM 529 O LYS A 35 -5.346 12.181 9.494 1.00 0.00 O ATOM 530 CB LYS A 35 -2.208 12.616 9.924 1.00 0.00 C ATOM 531 CG LYS A 35 -2.440 14.061 10.370 1.00 0.00 C ATOM 532 CD LYS A 35 -1.675 14.366 11.661 1.00 0.00 C ATOM 533 CE LYS A 35 -2.605 14.958 12.722 1.00 0.00 C ATOM 534 NZ LYS A 35 -2.149 14.581 14.078 1.00 0.00 N ATOM 0 H LYS A 35 -1.675 13.396 7.637 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.130 11.183 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.436 11.937 10.745 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.157 12.473 9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.120 14.744 9.583 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.505 14.231 10.526 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.218 13.453 12.042 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.865 15.065 11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.629 16.044 12.628 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.623 14.602 12.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.791 14.991 14.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.149 13.545 14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.186 14.942 14.233 1.00 0.00 H new ATOM 547 N ASP A 36 -4.761 13.899 8.144 1.00 0.00 N ATOM 548 CA ASP A 36 -6.083 14.503 8.154 1.00 0.00 C ATOM 549 C ASP A 36 -6.909 13.931 7.000 1.00 0.00 C ATOM 550 O ASP A 36 -8.095 14.230 6.873 1.00 0.00 O ATOM 551 CB ASP A 36 -5.998 16.018 7.969 1.00 0.00 C ATOM 552 CG ASP A 36 -7.128 16.815 8.621 1.00 0.00 C ATOM 553 OD1 ASP A 36 -8.224 16.949 8.055 1.00 0.00 O ATOM 554 OD2 ASP A 36 -6.847 17.316 9.776 1.00 0.00 O ATOM 0 H ASP A 36 -4.068 14.398 7.586 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.547 14.283 9.116 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.048 16.365 8.375 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.988 16.238 6.902 1.00 0.00 H new ATOM 560 N ILE A 37 -6.249 13.118 6.187 1.00 0.00 N ATOM 561 CA ILE A 37 -6.906 12.503 5.048 1.00 0.00 C ATOM 562 C ILE A 37 -7.015 10.994 5.281 1.00 0.00 C ATOM 563 O ILE A 37 -6.002 10.302 5.375 1.00 0.00 O ATOM 564 CB ILE A 37 -6.188 12.874 3.749 1.00 0.00 C ATOM 565 CG1 ILE A 37 -6.093 14.393 3.590 1.00 0.00 C ATOM 566 CG2 ILE A 37 -6.859 12.213 2.543 1.00 0.00 C ATOM 567 CD1 ILE A 37 -5.395 14.765 2.279 1.00 0.00 C ATOM 0 H ILE A 37 -5.265 12.872 6.296 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.922 12.885 4.943 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.169 12.491 3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -7.092 14.827 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.544 14.817 4.431 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.329 12.493 1.633 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.832 11.130 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.895 12.545 2.476 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.341 15.850 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -4.387 14.350 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.959 14.361 1.439 1.00 0.00 H new ATOM 579 N LYS A 38 -8.252 10.528 5.366 1.00 0.00 N ATOM 580 CA LYS A 38 -8.506 9.115 5.586 1.00 0.00 C ATOM 581 C LYS A 38 -7.952 8.312 4.407 1.00 0.00 C ATOM 582 O LYS A 38 -8.446 8.429 3.285 1.00 0.00 O ATOM 583 CB LYS A 38 -9.993 8.872 5.851 1.00 0.00 C ATOM 584 CG LYS A 38 -10.191 7.914 7.028 1.00 0.00 C ATOM 585 CD LYS A 38 -11.175 8.493 8.047 1.00 0.00 C ATOM 586 CE LYS A 38 -10.470 9.458 9.003 1.00 0.00 C ATOM 587 NZ LYS A 38 -11.136 9.457 10.324 1.00 0.00 N ATOM 0 H LYS A 38 -9.090 11.104 5.286 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.987 8.770 6.480 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.488 9.820 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.462 8.459 4.958 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.561 6.956 6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.233 7.722 7.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.979 9.014 7.526 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.634 7.684 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.425 9.169 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.479 10.465 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.645 10.117 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.126 9.754 10.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.105 8.499 10.728 1.00 0.00 H new ATOM 600 N GLY A 39 -6.935 7.515 4.699 1.00 0.00 N ATOM 601 CA GLY A 39 -6.310 6.693 3.677 1.00 0.00 C ATOM 602 C GLY A 39 -7.350 5.841 2.947 1.00 0.00 C ATOM 603 O GLY A 39 -7.625 4.711 3.349 1.00 0.00 O ATOM 0 H GLY A 39 -6.528 7.421 5.630 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.789 7.329 2.962 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.560 6.046 4.133 1.00 0.00 H new ATOM 607 N VAL A 40 -7.899 6.414 1.886 1.00 0.00 N ATOM 608 CA VAL A 40 -8.902 5.722 1.096 1.00 0.00 C ATOM 609 C VAL A 40 -8.318 5.381 -0.277 1.00 0.00 C ATOM 610 O VAL A 40 -7.752 6.244 -0.945 1.00 0.00 O ATOM 611 CB VAL A 40 -10.176 6.565 1.012 1.00 0.00 C ATOM 612 CG1 VAL A 40 -11.000 6.191 -0.223 1.00 0.00 C ATOM 613 CG2 VAL A 40 -11.008 6.430 2.288 1.00 0.00 C ATOM 0 H VAL A 40 -7.668 7.351 1.555 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.182 4.782 1.572 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.881 7.610 0.914 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.900 6.805 -0.259 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -10.407 6.363 -1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.280 5.139 -0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.908 7.039 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.289 5.386 2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -10.421 6.768 3.142 1.00 0.00 H new ATOM 623 N SER A 41 -8.478 4.122 -0.656 1.00 0.00 N ATOM 624 CA SER A 41 -7.973 3.657 -1.936 1.00 0.00 C ATOM 625 C SER A 41 -8.821 2.486 -2.439 1.00 0.00 C ATOM 626 O SER A 41 -9.304 1.680 -1.646 1.00 0.00 O ATOM 627 CB SER A 41 -6.504 3.242 -1.832 1.00 0.00 C ATOM 628 OG SER A 41 -6.310 2.199 -0.880 1.00 0.00 O ATOM 0 H SER A 41 -8.950 3.410 -0.099 1.00 0.00 H new ATOM 0 HA SER A 41 -8.040 4.479 -2.649 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.151 2.912 -2.809 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.902 4.106 -1.551 1.00 0.00 H new ATOM 0 HG SER A 41 -6.780 2.423 -0.050 1.00 0.00 H new ATOM 634 N GLU A 42 -8.974 2.430 -3.753 1.00 0.00 N ATOM 635 CA GLU A 42 -9.756 1.371 -4.371 1.00 0.00 C ATOM 636 C GLU A 42 -8.845 0.212 -4.784 1.00 0.00 C ATOM 637 O GLU A 42 -7.843 0.418 -5.465 1.00 0.00 O ATOM 638 CB GLU A 42 -10.546 1.900 -5.569 1.00 0.00 C ATOM 639 CG GLU A 42 -11.970 2.285 -5.159 1.00 0.00 C ATOM 640 CD GLU A 42 -12.583 3.262 -6.164 1.00 0.00 C ATOM 641 OE1 GLU A 42 -13.121 2.833 -7.196 1.00 0.00 O ATOM 642 OE2 GLU A 42 -12.489 4.507 -5.842 1.00 0.00 O ATOM 0 H GLU A 42 -8.570 3.100 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.474 1.002 -3.639 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.038 2.767 -5.990 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.581 1.141 -6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.588 1.390 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.957 2.737 -4.167 1.00 0.00 H new ATOM 650 N ILE A 43 -9.229 -0.981 -4.354 1.00 0.00 N ATOM 651 CA ILE A 43 -8.460 -2.173 -4.670 1.00 0.00 C ATOM 652 C ILE A 43 -9.094 -2.879 -5.870 1.00 0.00 C ATOM 653 O ILE A 43 -10.281 -3.202 -5.849 1.00 0.00 O ATOM 654 CB ILE A 43 -8.321 -3.064 -3.434 1.00 0.00 C ATOM 655 CG1 ILE A 43 -7.588 -2.332 -2.309 1.00 0.00 C ATOM 656 CG2 ILE A 43 -7.649 -4.391 -3.789 1.00 0.00 C ATOM 657 CD1 ILE A 43 -8.079 -2.800 -0.938 1.00 0.00 C ATOM 0 H ILE A 43 -10.062 -1.148 -3.790 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.443 -1.906 -4.957 1.00 0.00 H new ATOM 0 HB ILE A 43 -9.320 -3.297 -3.067 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.516 -2.508 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.744 -1.258 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.562 -5.006 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.249 -4.915 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.656 -4.199 -4.195 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.541 -2.263 -0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.147 -2.601 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.899 -3.870 -0.833 1.00 0.00 H new ATOM 669 N VAL A 44 -8.274 -3.099 -6.887 1.00 0.00 N ATOM 670 CA VAL A 44 -8.739 -3.763 -8.093 1.00 0.00 C ATOM 671 C VAL A 44 -8.051 -5.122 -8.221 1.00 0.00 C ATOM 672 O VAL A 44 -6.825 -5.198 -8.282 1.00 0.00 O ATOM 673 CB VAL A 44 -8.510 -2.859 -9.308 1.00 0.00 C ATOM 674 CG1 VAL A 44 -9.232 -3.406 -10.541 1.00 0.00 C ATOM 675 CG2 VAL A 44 -8.941 -1.422 -9.011 1.00 0.00 C ATOM 0 H VAL A 44 -7.290 -2.829 -6.901 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.812 -3.947 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.441 -2.849 -9.523 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -9.053 -2.746 -11.390 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.855 -4.403 -10.771 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -10.302 -3.460 -10.342 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.768 -0.801 -9.890 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -10.001 -1.405 -8.758 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.362 -1.034 -8.173 1.00 0.00 H new ATOM 685 N GLN A 45 -8.869 -6.164 -8.257 1.00 0.00 N ATOM 686 CA GLN A 45 -8.355 -7.517 -8.376 1.00 0.00 C ATOM 687 C GLN A 45 -9.155 -8.299 -9.420 1.00 0.00 C ATOM 688 O GLN A 45 -10.371 -8.443 -9.296 1.00 0.00 O ATOM 689 CB GLN A 45 -8.372 -8.231 -7.024 1.00 0.00 C ATOM 690 CG GLN A 45 -7.157 -7.837 -6.180 1.00 0.00 C ATOM 691 CD GLN A 45 -6.720 -8.991 -5.276 1.00 0.00 C ATOM 692 OE1 GLN A 45 -7.435 -9.958 -5.070 1.00 0.00 O ATOM 693 NE2 GLN A 45 -5.508 -8.837 -4.751 1.00 0.00 N ATOM 0 H GLN A 45 -9.886 -6.098 -8.206 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.318 -7.463 -8.708 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.288 -7.981 -6.488 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.377 -9.310 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.333 -7.550 -6.834 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.399 -6.966 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.962 -8.002 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.124 -9.553 -4.135 1.00 0.00 H new ATOM 702 N ASN A 46 -8.441 -8.786 -10.424 1.00 0.00 N ATOM 703 CA ASN A 46 -9.070 -9.551 -11.488 1.00 0.00 C ATOM 704 C ASN A 46 -8.142 -10.694 -11.904 1.00 0.00 C ATOM 705 O ASN A 46 -7.130 -10.469 -12.565 1.00 0.00 O ATOM 706 CB ASN A 46 -9.325 -8.676 -12.718 1.00 0.00 C ATOM 707 CG ASN A 46 -10.403 -9.290 -13.612 1.00 0.00 C ATOM 708 OD1 ASN A 46 -10.127 -9.947 -14.601 1.00 0.00 O ATOM 709 ND2 ASN A 46 -11.646 -9.038 -13.210 1.00 0.00 N ATOM 0 H ASN A 46 -7.433 -8.666 -10.524 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.020 -9.933 -11.114 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.633 -7.679 -12.402 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.401 -8.559 -13.284 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.437 -9.403 -13.740 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.808 -8.480 -12.372 1.00 0.00 H new ATOM 716 N GLY A 47 -8.522 -11.898 -11.500 1.00 0.00 N ATOM 717 CA GLY A 47 -7.738 -13.077 -11.824 1.00 0.00 C ATOM 718 C GLY A 47 -6.346 -13.001 -11.191 1.00 0.00 C ATOM 719 O GLY A 47 -6.198 -13.197 -9.986 1.00 0.00 O ATOM 0 H GLY A 47 -9.362 -12.082 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.254 -13.970 -11.470 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.645 -13.170 -12.906 1.00 0.00 H new ATOM 723 N LYS A 48 -5.364 -12.715 -12.032 1.00 0.00 N ATOM 724 CA LYS A 48 -3.990 -12.609 -11.571 1.00 0.00 C ATOM 725 C LYS A 48 -3.539 -11.150 -11.654 1.00 0.00 C ATOM 726 O LYS A 48 -2.685 -10.716 -10.882 1.00 0.00 O ATOM 727 CB LYS A 48 -3.090 -13.576 -12.344 1.00 0.00 C ATOM 728 CG LYS A 48 -3.383 -15.026 -11.956 1.00 0.00 C ATOM 729 CD LYS A 48 -2.434 -15.503 -10.854 1.00 0.00 C ATOM 730 CE LYS A 48 -2.977 -16.757 -10.167 1.00 0.00 C ATOM 731 NZ LYS A 48 -2.116 -17.924 -10.465 1.00 0.00 N ATOM 0 H LYS A 48 -5.492 -12.553 -13.031 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.915 -12.906 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.244 -13.444 -13.415 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.044 -13.346 -12.141 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.415 -15.113 -11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.281 -15.668 -12.831 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.453 -15.713 -11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.298 -14.711 -10.118 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.024 -16.598 -9.090 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.995 -16.952 -10.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.498 -18.767 -9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.092 -18.085 -11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.152 -17.741 -10.121 1.00 0.00 H new ATOM 744 N HIS A 49 -4.133 -10.433 -12.596 1.00 0.00 N ATOM 745 CA HIS A 49 -3.803 -9.031 -12.789 1.00 0.00 C ATOM 746 C HIS A 49 -4.666 -8.168 -11.865 1.00 0.00 C ATOM 747 O HIS A 49 -5.877 -8.367 -11.777 1.00 0.00 O ATOM 748 CB HIS A 49 -3.937 -8.639 -14.262 1.00 0.00 C ATOM 749 CG HIS A 49 -5.362 -8.429 -14.714 1.00 0.00 C ATOM 750 ND1 HIS A 49 -5.912 -7.172 -14.898 1.00 0.00 N ATOM 751 CD2 HIS A 49 -6.342 -9.326 -15.019 1.00 0.00 C ATOM 752 CE1 HIS A 49 -7.168 -7.319 -15.295 1.00 0.00 C ATOM 753 NE2 HIS A 49 -7.433 -8.655 -15.369 1.00 0.00 N ATOM 0 H HIS A 49 -4.841 -10.796 -13.234 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.761 -8.859 -12.521 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.373 -7.723 -14.436 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.482 -9.416 -14.877 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.247 -10.401 -14.982 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.860 -6.521 -15.520 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.322 -9.070 -15.647 1.00 0.00 H new ATOM 761 N PHE A 50 -4.009 -7.229 -11.201 1.00 0.00 N ATOM 762 CA PHE A 50 -4.701 -6.336 -10.288 1.00 0.00 C ATOM 763 C PHE A 50 -4.392 -4.872 -10.612 1.00 0.00 C ATOM 764 O PHE A 50 -3.359 -4.571 -11.209 1.00 0.00 O ATOM 765 CB PHE A 50 -4.192 -6.652 -8.881 1.00 0.00 C ATOM 766 CG PHE A 50 -3.948 -8.142 -8.628 1.00 0.00 C ATOM 767 CD1 PHE A 50 -4.928 -9.046 -8.896 1.00 0.00 C ATOM 768 CD2 PHE A 50 -2.752 -8.561 -8.134 1.00 0.00 C ATOM 769 CE1 PHE A 50 -4.702 -10.428 -8.661 1.00 0.00 C ATOM 770 CE2 PHE A 50 -2.526 -9.943 -7.899 1.00 0.00 C ATOM 771 CZ PHE A 50 -3.506 -10.847 -8.168 1.00 0.00 C ATOM 0 H PHE A 50 -3.005 -7.067 -11.277 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.778 -6.480 -10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.263 -6.108 -8.711 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.915 -6.284 -8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.878 -8.713 -9.287 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.974 -7.843 -7.921 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.480 -11.146 -8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.576 -10.276 -7.507 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.334 -11.898 -7.990 1.00 0.00 H new ATOM 781 N LYS A 51 -5.305 -4.004 -10.205 1.00 0.00 N ATOM 782 CA LYS A 51 -5.143 -2.580 -10.445 1.00 0.00 C ATOM 783 C LYS A 51 -5.074 -1.846 -9.104 1.00 0.00 C ATOM 784 O LYS A 51 -5.882 -2.099 -8.211 1.00 0.00 O ATOM 785 CB LYS A 51 -6.244 -2.063 -11.373 1.00 0.00 C ATOM 786 CG LYS A 51 -5.659 -1.574 -12.698 1.00 0.00 C ATOM 787 CD LYS A 51 -6.710 -1.610 -13.809 1.00 0.00 C ATOM 788 CE LYS A 51 -7.150 -0.197 -14.196 1.00 0.00 C ATOM 789 NZ LYS A 51 -8.346 -0.246 -15.067 1.00 0.00 N ATOM 0 H LYS A 51 -6.160 -4.259 -9.710 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.204 -2.386 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -6.968 -2.856 -11.562 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.782 -1.249 -10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.284 -0.557 -12.581 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.809 -2.197 -12.976 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.303 -2.120 -14.682 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.574 -2.186 -13.478 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.370 0.380 -13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.338 0.314 -14.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.631 0.722 -15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -8.124 -0.779 -15.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -9.125 -0.715 -14.562 1.00 0.00 H new ATOM 802 N PHE A 52 -4.102 -0.951 -9.004 1.00 0.00 N ATOM 803 CA PHE A 52 -3.918 -0.178 -7.788 1.00 0.00 C ATOM 804 C PHE A 52 -4.156 1.311 -8.042 1.00 0.00 C ATOM 805 O PHE A 52 -4.030 1.779 -9.172 1.00 0.00 O ATOM 806 CB PHE A 52 -2.467 -0.382 -7.345 1.00 0.00 C ATOM 807 CG PHE A 52 -2.094 0.377 -6.070 1.00 0.00 C ATOM 808 CD1 PHE A 52 -2.760 0.128 -4.910 1.00 0.00 C ATOM 809 CD2 PHE A 52 -1.095 1.301 -6.095 1.00 0.00 C ATOM 810 CE1 PHE A 52 -2.414 0.833 -3.727 1.00 0.00 C ATOM 811 CE2 PHE A 52 -0.749 2.005 -4.912 1.00 0.00 C ATOM 812 CZ PHE A 52 -1.415 1.757 -3.752 1.00 0.00 C ATOM 0 H PHE A 52 -3.433 -0.744 -9.746 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.627 -0.506 -7.028 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.292 -1.446 -7.187 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.804 -0.067 -8.151 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.552 -0.606 -4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.565 1.499 -7.015 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.944 0.636 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.044 2.738 -4.933 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.151 2.293 -2.852 1.00 0.00 H new ATOM 822 N THR A 53 -4.498 2.014 -6.972 1.00 0.00 N ATOM 823 CA THR A 53 -4.756 3.441 -7.066 1.00 0.00 C ATOM 824 C THR A 53 -4.112 4.177 -5.889 1.00 0.00 C ATOM 825 O THR A 53 -4.092 3.668 -4.770 1.00 0.00 O ATOM 826 CB THR A 53 -6.270 3.643 -7.153 1.00 0.00 C ATOM 827 OG1 THR A 53 -6.611 3.159 -8.450 1.00 0.00 O ATOM 828 CG2 THR A 53 -6.662 5.121 -7.192 1.00 0.00 C ATOM 0 H THR A 53 -4.602 1.622 -6.036 1.00 0.00 H new ATOM 0 HA THR A 53 -4.305 3.867 -7.962 1.00 0.00 H new ATOM 0 HB THR A 53 -6.750 3.163 -6.300 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.577 3.251 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.747 5.208 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.309 5.615 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.210 5.594 -8.063 1.00 0.00 H new ATOM 836 N ILE A 54 -3.602 5.364 -6.184 1.00 0.00 N ATOM 837 CA ILE A 54 -2.959 6.176 -5.163 1.00 0.00 C ATOM 838 C ILE A 54 -3.859 7.365 -4.822 1.00 0.00 C ATOM 839 O ILE A 54 -4.255 8.123 -5.707 1.00 0.00 O ATOM 840 CB ILE A 54 -1.551 6.578 -5.607 1.00 0.00 C ATOM 841 CG1 ILE A 54 -0.638 5.353 -5.708 1.00 0.00 C ATOM 842 CG2 ILE A 54 -0.971 7.652 -4.686 1.00 0.00 C ATOM 843 CD1 ILE A 54 -0.531 4.866 -7.154 1.00 0.00 C ATOM 0 H ILE A 54 -3.621 5.783 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.828 5.602 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.618 7.013 -6.604 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.354 5.602 -5.330 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.027 4.552 -5.079 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.030 7.919 -5.024 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.610 8.535 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.919 7.268 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.123 3.995 -7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.521 4.595 -7.521 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.119 5.661 -7.776 1.00 0.00 H new ATOM 855 N THR A 55 -4.155 7.492 -3.538 1.00 0.00 N ATOM 856 CA THR A 55 -5.001 8.577 -3.068 1.00 0.00 C ATOM 857 C THR A 55 -4.223 9.486 -2.116 1.00 0.00 C ATOM 858 O THR A 55 -4.679 9.769 -1.010 1.00 0.00 O ATOM 859 CB THR A 55 -6.250 7.962 -2.435 1.00 0.00 C ATOM 860 OG1 THR A 55 -6.634 6.937 -3.348 1.00 0.00 O ATOM 861 CG2 THR A 55 -7.440 8.924 -2.434 1.00 0.00 C ATOM 0 H THR A 55 -3.824 6.862 -2.807 1.00 0.00 H new ATOM 0 HA THR A 55 -5.317 9.217 -3.892 1.00 0.00 H new ATOM 0 HB THR A 55 -6.026 7.659 -1.412 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.307 6.361 -2.929 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.300 8.438 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.183 9.820 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.685 9.201 -3.459 1.00 0.00 H new ATOM 869 N ALA A 56 -3.060 9.920 -2.581 1.00 0.00 N ATOM 870 CA ALA A 56 -2.213 10.791 -1.784 1.00 0.00 C ATOM 871 C ALA A 56 -2.652 12.243 -1.985 1.00 0.00 C ATOM 872 O ALA A 56 -2.372 12.842 -3.022 1.00 0.00 O ATOM 873 CB ALA A 56 -0.748 10.567 -2.164 1.00 0.00 C ATOM 0 H ALA A 56 -2.685 9.684 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.313 10.559 -0.724 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.113 11.221 -1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.478 9.528 -1.976 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.608 10.793 -3.221 1.00 0.00 H new ATOM 879 N GLY A 57 -3.333 12.767 -0.976 1.00 0.00 N ATOM 880 CA GLY A 57 -3.812 14.137 -1.028 1.00 0.00 C ATOM 881 C GLY A 57 -4.848 14.313 -2.141 1.00 0.00 C ATOM 882 O GLY A 57 -6.008 13.942 -1.979 1.00 0.00 O ATOM 0 H GLY A 57 -3.564 12.267 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.253 14.409 -0.069 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.974 14.813 -1.196 1.00 0.00 H new ATOM 886 N SER A 58 -4.389 14.879 -3.248 1.00 0.00 N ATOM 887 CA SER A 58 -5.260 15.109 -4.388 1.00 0.00 C ATOM 888 C SER A 58 -4.523 14.774 -5.686 1.00 0.00 C ATOM 889 O SER A 58 -4.091 15.672 -6.408 1.00 0.00 O ATOM 890 CB SER A 58 -5.757 16.555 -4.418 1.00 0.00 C ATOM 891 OG SER A 58 -7.173 16.636 -4.268 1.00 0.00 O ATOM 0 H SER A 58 -3.425 15.185 -3.379 1.00 0.00 H new ATOM 0 HA SER A 58 -6.128 14.457 -4.292 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.275 17.121 -3.621 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.465 17.019 -5.360 1.00 0.00 H new ATOM 0 HG SER A 58 -7.451 17.575 -4.291 1.00 0.00 H new ATOM 897 N LYS A 59 -4.401 13.480 -5.943 1.00 0.00 N ATOM 898 CA LYS A 59 -3.723 13.016 -7.142 1.00 0.00 C ATOM 899 C LYS A 59 -3.876 11.497 -7.253 1.00 0.00 C ATOM 900 O LYS A 59 -3.379 10.757 -6.406 1.00 0.00 O ATOM 901 CB LYS A 59 -2.269 13.490 -7.153 1.00 0.00 C ATOM 902 CG LYS A 59 -1.392 12.589 -6.281 1.00 0.00 C ATOM 903 CD LYS A 59 -0.151 13.338 -5.793 1.00 0.00 C ATOM 904 CE LYS A 59 1.035 13.107 -6.731 1.00 0.00 C ATOM 905 NZ LYS A 59 1.750 14.377 -6.984 1.00 0.00 N ATOM 0 H LYS A 59 -4.760 12.738 -5.342 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.181 13.449 -8.031 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.891 13.492 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.215 14.517 -6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.967 12.234 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.090 11.709 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.367 14.405 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.106 13.006 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.718 12.380 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.684 12.686 -7.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.552 14.203 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.100 15.060 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.101 14.763 -6.084 1.00 0.00 H new ATOM 918 N VAL A 60 -4.566 11.080 -8.304 1.00 0.00 N ATOM 919 CA VAL A 60 -4.790 9.663 -8.537 1.00 0.00 C ATOM 920 C VAL A 60 -3.962 9.211 -9.742 1.00 0.00 C ATOM 921 O VAL A 60 -3.743 9.983 -10.674 1.00 0.00 O ATOM 922 CB VAL A 60 -6.286 9.391 -8.704 1.00 0.00 C ATOM 923 CG1 VAL A 60 -6.808 8.487 -7.585 1.00 0.00 C ATOM 924 CG2 VAL A 60 -7.078 10.698 -8.767 1.00 0.00 C ATOM 0 H VAL A 60 -4.977 11.698 -9.004 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.460 9.078 -7.678 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.427 8.868 -9.650 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.874 8.310 -7.728 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.276 7.536 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.647 8.971 -6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.138 10.475 -8.886 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.926 11.260 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.734 11.291 -9.615 1.00 0.00 H new ATOM 934 N ILE A 61 -3.524 7.962 -9.683 1.00 0.00 N ATOM 935 CA ILE A 61 -2.725 7.398 -10.757 1.00 0.00 C ATOM 936 C ILE A 61 -3.336 6.066 -11.197 1.00 0.00 C ATOM 937 O ILE A 61 -3.654 5.219 -10.363 1.00 0.00 O ATOM 938 CB ILE A 61 -1.258 7.293 -10.335 1.00 0.00 C ATOM 939 CG1 ILE A 61 -0.645 8.680 -10.129 1.00 0.00 C ATOM 940 CG2 ILE A 61 -0.458 6.456 -11.336 1.00 0.00 C ATOM 941 CD1 ILE A 61 0.642 8.593 -9.307 1.00 0.00 C ATOM 0 H ILE A 61 -3.707 7.325 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.736 8.056 -11.626 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.215 6.777 -9.376 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.433 9.135 -11.096 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.361 9.327 -9.622 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.581 6.397 -11.013 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.879 5.452 -11.389 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.506 6.922 -12.320 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.058 9.592 -9.175 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.422 8.160 -8.331 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.365 7.965 -9.828 1.00 0.00 H new ATOM 953 N GLN A 62 -3.482 5.921 -12.506 1.00 0.00 N ATOM 954 CA GLN A 62 -4.049 4.706 -13.066 1.00 0.00 C ATOM 955 C GLN A 62 -2.946 3.833 -13.666 1.00 0.00 C ATOM 956 O GLN A 62 -2.256 4.249 -14.595 1.00 0.00 O ATOM 957 CB GLN A 62 -5.119 5.032 -14.110 1.00 0.00 C ATOM 958 CG GLN A 62 -4.609 6.068 -15.113 1.00 0.00 C ATOM 959 CD GLN A 62 -4.966 7.487 -14.665 1.00 0.00 C ATOM 960 OE1 GLN A 62 -4.679 7.905 -13.555 1.00 0.00 O ATOM 961 NE2 GLN A 62 -5.604 8.201 -15.587 1.00 0.00 N ATOM 0 H GLN A 62 -3.217 6.625 -13.195 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.530 4.148 -12.262 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.407 4.122 -14.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.013 5.410 -13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.528 5.977 -15.217 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.041 5.873 -16.094 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.813 7.789 -16.496 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.884 9.161 -15.385 1.00 0.00 H new ATOM 970 N ASN A 63 -2.813 2.638 -13.109 1.00 0.00 N ATOM 971 CA ASN A 63 -1.805 1.703 -13.578 1.00 0.00 C ATOM 972 C ASN A 63 -2.231 0.278 -13.216 1.00 0.00 C ATOM 973 O ASN A 63 -2.853 0.056 -12.178 1.00 0.00 O ATOM 974 CB ASN A 63 -0.452 1.973 -12.917 1.00 0.00 C ATOM 975 CG ASN A 63 0.198 3.232 -13.494 1.00 0.00 C ATOM 976 OD1 ASN A 63 0.133 3.506 -14.682 1.00 0.00 O ATOM 977 ND2 ASN A 63 0.827 3.979 -12.592 1.00 0.00 N ATOM 0 H ASN A 63 -3.386 2.296 -12.338 1.00 0.00 H new ATOM 0 HA ASN A 63 -1.709 1.824 -14.657 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.585 2.088 -11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.207 1.118 -13.067 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.294 4.840 -12.878 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.843 3.692 -11.613 1.00 0.00 H new ATOM 984 N GLU A 64 -1.878 -0.652 -14.092 1.00 0.00 N ATOM 985 CA GLU A 64 -2.216 -2.048 -13.879 1.00 0.00 C ATOM 986 C GLU A 64 -0.970 -2.924 -14.024 1.00 0.00 C ATOM 987 O GLU A 64 -0.178 -2.735 -14.946 1.00 0.00 O ATOM 988 CB GLU A 64 -3.318 -2.499 -14.838 1.00 0.00 C ATOM 989 CG GLU A 64 -2.737 -2.874 -16.204 1.00 0.00 C ATOM 990 CD GLU A 64 -3.772 -2.678 -17.314 1.00 0.00 C ATOM 991 OE1 GLU A 64 -4.566 -3.589 -17.590 1.00 0.00 O ATOM 992 OE2 GLU A 64 -3.735 -1.527 -17.896 1.00 0.00 O ATOM 0 H GLU A 64 -1.361 -0.465 -14.951 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.597 -2.158 -12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.845 -3.355 -14.416 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.051 -1.701 -14.957 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.858 -2.263 -16.409 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.406 -3.913 -16.190 1.00 0.00 H new ATOM 1000 N PHE A 65 -0.834 -3.864 -13.100 1.00 0.00 N ATOM 1001 CA PHE A 65 0.302 -4.770 -13.114 1.00 0.00 C ATOM 1002 C PHE A 65 -0.159 -6.227 -13.055 1.00 0.00 C ATOM 1003 O PHE A 65 -1.304 -6.508 -12.706 1.00 0.00 O ATOM 1004 CB PHE A 65 1.135 -4.459 -11.870 1.00 0.00 C ATOM 1005 CG PHE A 65 0.477 -4.886 -10.556 1.00 0.00 C ATOM 1006 CD1 PHE A 65 0.546 -6.182 -10.150 1.00 0.00 C ATOM 1007 CD2 PHE A 65 -0.178 -3.969 -9.796 1.00 0.00 C ATOM 1008 CE1 PHE A 65 -0.065 -6.577 -8.932 1.00 0.00 C ATOM 1009 CE2 PHE A 65 -0.790 -4.365 -8.577 1.00 0.00 C ATOM 1010 CZ PHE A 65 -0.720 -5.661 -8.171 1.00 0.00 C ATOM 0 H PHE A 65 -1.492 -4.018 -12.336 1.00 0.00 H new ATOM 0 HA PHE A 65 0.875 -4.636 -14.031 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.101 -4.956 -11.959 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.330 -3.387 -11.835 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.066 -6.910 -10.755 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.233 -2.940 -10.119 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.010 -7.606 -8.609 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.311 -3.637 -7.973 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.185 -5.962 -7.244 1.00 0.00 H new ATOM 1020 N THR A 66 0.759 -7.119 -13.403 1.00 0.00 N ATOM 1021 CA THR A 66 0.462 -8.541 -13.393 1.00 0.00 C ATOM 1022 C THR A 66 1.376 -9.270 -12.407 1.00 0.00 C ATOM 1023 O THR A 66 2.566 -8.970 -12.320 1.00 0.00 O ATOM 1024 CB THR A 66 0.580 -9.057 -14.828 1.00 0.00 C ATOM 1025 OG1 THR A 66 -0.119 -8.089 -15.605 1.00 0.00 O ATOM 1026 CG2 THR A 66 -0.206 -10.352 -15.051 1.00 0.00 C ATOM 0 H THR A 66 1.708 -6.883 -13.693 1.00 0.00 H new ATOM 0 HA THR A 66 -0.554 -8.731 -13.046 1.00 0.00 H new ATOM 0 HB THR A 66 1.630 -9.223 -15.068 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.090 -8.346 -16.550 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.089 -10.675 -16.085 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.172 -11.127 -14.384 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.262 -10.177 -14.843 1.00 0.00 H new ATOM 1034 N VAL A 67 0.786 -10.215 -11.689 1.00 0.00 N ATOM 1035 CA VAL A 67 1.533 -10.989 -10.713 1.00 0.00 C ATOM 1036 C VAL A 67 2.401 -12.018 -11.440 1.00 0.00 C ATOM 1037 O VAL A 67 2.271 -12.201 -12.650 1.00 0.00 O ATOM 1038 CB VAL A 67 0.573 -11.623 -9.703 1.00 0.00 C ATOM 1039 CG1 VAL A 67 -0.439 -12.531 -10.404 1.00 0.00 C ATOM 1040 CG2 VAL A 67 1.341 -12.388 -8.623 1.00 0.00 C ATOM 0 H VAL A 67 -0.201 -10.462 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 67 2.202 -10.343 -10.145 1.00 0.00 H new ATOM 0 HB VAL A 67 0.020 -10.820 -9.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.109 -12.969 -9.664 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.019 -11.946 -11.118 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.089 -13.326 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.636 -12.829 -7.918 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.932 -13.178 -9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.003 -11.703 -8.093 1.00 0.00 H new ATOM 1050 N GLY A 68 3.266 -12.663 -10.673 1.00 0.00 N ATOM 1051 CA GLY A 68 4.154 -13.669 -11.228 1.00 0.00 C ATOM 1052 C GLY A 68 5.448 -13.034 -11.743 1.00 0.00 C ATOM 1053 O GLY A 68 6.529 -13.598 -11.579 1.00 0.00 O ATOM 0 H GLY A 68 3.371 -12.508 -9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.388 -14.413 -10.466 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.653 -14.193 -12.042 1.00 0.00 H new ATOM 1057 N GLU A 69 5.295 -11.868 -12.354 1.00 0.00 N ATOM 1058 CA GLU A 69 6.438 -11.150 -12.894 1.00 0.00 C ATOM 1059 C GLU A 69 6.527 -9.754 -12.276 1.00 0.00 C ATOM 1060 O GLU A 69 5.597 -9.307 -11.605 1.00 0.00 O ATOM 1061 CB GLU A 69 6.365 -11.072 -14.420 1.00 0.00 C ATOM 1062 CG GLU A 69 5.837 -12.380 -15.012 1.00 0.00 C ATOM 1063 CD GLU A 69 6.766 -12.899 -16.112 1.00 0.00 C ATOM 1064 OE1 GLU A 69 7.397 -13.952 -15.944 1.00 0.00 O ATOM 1065 OE2 GLU A 69 6.819 -12.164 -17.172 1.00 0.00 O ATOM 0 H GLU A 69 4.397 -11.403 -12.487 1.00 0.00 H new ATOM 0 HA GLU A 69 7.344 -11.699 -12.635 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.716 -10.247 -14.715 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.355 -10.859 -14.824 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.746 -13.129 -14.225 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.838 -12.222 -15.419 1.00 0.00 H new ATOM 1073 N GLU A 70 7.654 -9.103 -12.524 1.00 0.00 N ATOM 1074 CA GLU A 70 7.876 -7.765 -12.001 1.00 0.00 C ATOM 1075 C GLU A 70 7.380 -6.716 -12.997 1.00 0.00 C ATOM 1076 O GLU A 70 7.594 -6.848 -14.201 1.00 0.00 O ATOM 1077 CB GLU A 70 9.351 -7.547 -11.662 1.00 0.00 C ATOM 1078 CG GLU A 70 9.674 -6.056 -11.550 1.00 0.00 C ATOM 1079 CD GLU A 70 11.061 -5.839 -10.941 1.00 0.00 C ATOM 1080 OE1 GLU A 70 12.010 -5.504 -11.664 1.00 0.00 O ATOM 1081 OE2 GLU A 70 11.132 -6.029 -9.666 1.00 0.00 O ATOM 0 H GLU A 70 8.423 -9.477 -13.080 1.00 0.00 H new ATOM 0 HA GLU A 70 7.306 -7.658 -11.078 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.589 -8.046 -10.723 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.975 -8.001 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 70 9.630 -5.596 -12.537 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.922 -5.563 -10.935 1.00 0.00 H new ATOM 1089 N CYS A 71 6.727 -5.696 -12.459 1.00 0.00 N ATOM 1090 CA CYS A 71 6.199 -4.625 -13.286 1.00 0.00 C ATOM 1091 C CYS A 71 6.800 -3.304 -12.802 1.00 0.00 C ATOM 1092 O CYS A 71 7.379 -3.241 -11.718 1.00 0.00 O ATOM 1093 CB CYS A 71 4.670 -4.597 -13.268 1.00 0.00 C ATOM 1094 SG CYS A 71 4.007 -5.936 -14.323 1.00 0.00 S ATOM 0 H CYS A 71 6.552 -5.589 -11.460 1.00 0.00 H new ATOM 0 HA CYS A 71 6.481 -4.792 -14.326 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.308 -4.715 -12.247 1.00 0.00 H new ATOM 0 HB3 CYS A 71 4.312 -3.631 -13.624 1.00 0.00 H new ATOM 0 HG CYS A 71 2.861 -5.572 -14.817 1.00 0.00 H new ATOM 1100 N GLU A 72 6.642 -2.280 -13.628 1.00 0.00 N ATOM 1101 CA GLU A 72 7.161 -0.965 -13.298 1.00 0.00 C ATOM 1102 C GLU A 72 6.012 0.003 -13.010 1.00 0.00 C ATOM 1103 O GLU A 72 5.061 0.093 -13.785 1.00 0.00 O ATOM 1104 CB GLU A 72 8.059 -0.432 -14.417 1.00 0.00 C ATOM 1105 CG GLU A 72 7.259 -0.216 -15.704 1.00 0.00 C ATOM 1106 CD GLU A 72 8.027 -0.739 -16.920 1.00 0.00 C ATOM 1107 OE1 GLU A 72 8.870 -1.637 -16.782 1.00 0.00 O ATOM 1108 OE2 GLU A 72 7.720 -0.178 -18.040 1.00 0.00 O ATOM 0 H GLU A 72 6.161 -2.335 -14.526 1.00 0.00 H new ATOM 0 HA GLU A 72 7.770 -1.053 -12.399 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.515 0.508 -14.106 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.871 -1.135 -14.603 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.298 -0.725 -15.629 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.048 0.846 -15.832 1.00 0.00 H new ATOM 1116 N LEU A 73 6.136 0.704 -11.892 1.00 0.00 N ATOM 1117 CA LEU A 73 5.120 1.662 -11.492 1.00 0.00 C ATOM 1118 C LEU A 73 5.797 2.907 -10.915 1.00 0.00 C ATOM 1119 O LEU A 73 6.735 2.799 -10.128 1.00 0.00 O ATOM 1120 CB LEU A 73 4.115 1.010 -10.538 1.00 0.00 C ATOM 1121 CG LEU A 73 3.388 -0.225 -11.072 1.00 0.00 C ATOM 1122 CD1 LEU A 73 2.537 -0.876 -9.979 1.00 0.00 C ATOM 1123 CD2 LEU A 73 2.562 0.119 -12.313 1.00 0.00 C ATOM 0 H LEU A 73 6.925 0.627 -11.251 1.00 0.00 H new ATOM 0 HA LEU A 73 4.541 1.986 -12.357 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.640 0.731 -9.624 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.369 1.756 -10.263 1.00 0.00 H new ATOM 0 HG LEU A 73 4.136 -0.957 -11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.031 -1.752 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.178 -1.179 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.795 -0.162 -9.621 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.055 -0.777 -12.673 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.822 0.877 -12.059 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.220 0.502 -13.093 1.00 0.00 H new ATOM 1135 N GLU A 74 5.293 4.060 -11.329 1.00 0.00 N ATOM 1136 CA GLU A 74 5.838 5.324 -10.865 1.00 0.00 C ATOM 1137 C GLU A 74 5.269 5.673 -9.488 1.00 0.00 C ATOM 1138 O GLU A 74 4.078 5.952 -9.357 1.00 0.00 O ATOM 1139 CB GLU A 74 5.563 6.444 -11.870 1.00 0.00 C ATOM 1140 CG GLU A 74 6.431 7.669 -11.579 1.00 0.00 C ATOM 1141 CD GLU A 74 6.289 8.717 -12.684 1.00 0.00 C ATOM 1142 OE1 GLU A 74 5.387 9.566 -12.621 1.00 0.00 O ATOM 1143 OE2 GLU A 74 7.159 8.631 -13.633 1.00 0.00 O ATOM 0 H GLU A 74 4.513 4.145 -11.981 1.00 0.00 H new ATOM 0 HA GLU A 74 6.919 5.219 -10.776 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.760 6.087 -12.881 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.510 6.723 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.143 8.104 -10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.475 7.367 -11.491 1.00 0.00 H new ATOM 1151 N THR A 75 6.146 5.645 -8.495 1.00 0.00 N ATOM 1152 CA THR A 75 5.745 5.955 -7.133 1.00 0.00 C ATOM 1153 C THR A 75 5.810 7.464 -6.889 1.00 0.00 C ATOM 1154 O THR A 75 6.215 8.222 -7.768 1.00 0.00 O ATOM 1155 CB THR A 75 6.633 5.147 -6.184 1.00 0.00 C ATOM 1156 OG1 THR A 75 7.944 5.296 -6.723 1.00 0.00 O ATOM 1157 CG2 THR A 75 6.364 3.643 -6.270 1.00 0.00 C ATOM 0 H THR A 75 7.133 5.412 -8.607 1.00 0.00 H new ATOM 0 HA THR A 75 4.708 5.672 -6.951 1.00 0.00 H new ATOM 0 HB THR A 75 6.474 5.487 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.584 4.804 -6.167 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.020 3.116 -5.577 1.00 0.00 H new ATOM 0 HG22 THR A 75 5.325 3.444 -6.009 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.556 3.297 -7.286 1.00 0.00 H new ATOM 1165 N MET A 76 5.405 7.854 -5.689 1.00 0.00 N ATOM 1166 CA MET A 76 5.412 9.259 -5.317 1.00 0.00 C ATOM 1167 C MET A 76 6.763 9.662 -4.723 1.00 0.00 C ATOM 1168 O MET A 76 6.870 10.690 -4.055 1.00 0.00 O ATOM 1169 CB MET A 76 4.306 9.522 -4.294 1.00 0.00 C ATOM 1170 CG MET A 76 4.526 8.699 -3.023 1.00 0.00 C ATOM 1171 SD MET A 76 4.381 9.745 -1.584 1.00 0.00 S ATOM 1172 CE MET A 76 4.563 8.526 -0.294 1.00 0.00 C ATOM 0 H MET A 76 5.070 7.222 -4.962 1.00 0.00 H new ATOM 0 HA MET A 76 5.238 9.854 -6.214 1.00 0.00 H new ATOM 0 HB2 MET A 76 4.281 10.583 -4.045 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.338 9.274 -4.729 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.795 7.892 -2.971 1.00 0.00 H new ATOM 0 HG3 MET A 76 5.512 8.234 -3.047 1.00 0.00 H new ATOM 0 HE1 MET A 76 4.497 9.013 0.679 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.771 7.782 -0.382 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.532 8.037 -0.390 1.00 0.00 H new ATOM 1182 N THR A 77 7.761 8.832 -4.987 1.00 0.00 N ATOM 1183 CA THR A 77 9.101 9.088 -4.486 1.00 0.00 C ATOM 1184 C THR A 77 9.857 10.017 -5.439 1.00 0.00 C ATOM 1185 O THR A 77 10.865 10.612 -5.062 1.00 0.00 O ATOM 1186 CB THR A 77 9.793 7.741 -4.275 1.00 0.00 C ATOM 1187 OG1 THR A 77 9.058 7.136 -3.214 1.00 0.00 O ATOM 1188 CG2 THR A 77 11.207 7.892 -3.708 1.00 0.00 C ATOM 0 H THR A 77 7.669 7.981 -5.542 1.00 0.00 H new ATOM 0 HA THR A 77 9.073 9.608 -3.528 1.00 0.00 H new ATOM 0 HB THR A 77 9.836 7.203 -5.222 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.439 6.256 -3.013 1.00 0.00 H new ATOM 0 HG21 THR A 77 11.654 6.906 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 77 11.815 8.477 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 77 11.160 8.400 -2.745 1.00 0.00 H new ATOM 1196 N GLY A 78 9.342 10.111 -6.656 1.00 0.00 N ATOM 1197 CA GLY A 78 9.955 10.956 -7.665 1.00 0.00 C ATOM 1198 C GLY A 78 10.365 10.137 -8.891 1.00 0.00 C ATOM 1199 O GLY A 78 10.290 10.621 -10.020 1.00 0.00 O ATOM 0 H GLY A 78 8.506 9.615 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.257 11.738 -7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.830 11.453 -7.246 1.00 0.00 H new ATOM 1203 N GLU A 79 10.790 8.910 -8.628 1.00 0.00 N ATOM 1204 CA GLU A 79 11.211 8.019 -9.695 1.00 0.00 C ATOM 1205 C GLU A 79 10.252 6.833 -9.807 1.00 0.00 C ATOM 1206 O GLU A 79 9.258 6.763 -9.086 1.00 0.00 O ATOM 1207 CB GLU A 79 12.649 7.542 -9.476 1.00 0.00 C ATOM 1208 CG GLU A 79 12.699 6.394 -8.466 1.00 0.00 C ATOM 1209 CD GLU A 79 14.075 6.303 -7.806 1.00 0.00 C ATOM 1210 OE1 GLU A 79 14.817 7.296 -7.781 1.00 0.00 O ATOM 1211 OE2 GLU A 79 14.365 5.151 -7.305 1.00 0.00 O ATOM 0 H GLU A 79 10.852 8.512 -7.691 1.00 0.00 H new ATOM 0 HA GLU A 79 11.185 8.572 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 79 13.076 7.215 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.261 8.371 -9.120 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.935 6.543 -7.703 1.00 0.00 H new ATOM 0 HG3 GLU A 79 12.470 5.454 -8.967 1.00 0.00 H new ATOM 1219 N LYS A 80 10.583 5.928 -10.717 1.00 0.00 N ATOM 1220 CA LYS A 80 9.763 4.748 -10.932 1.00 0.00 C ATOM 1221 C LYS A 80 10.500 3.516 -10.402 1.00 0.00 C ATOM 1222 O LYS A 80 11.701 3.366 -10.618 1.00 0.00 O ATOM 1223 CB LYS A 80 9.360 4.637 -12.404 1.00 0.00 C ATOM 1224 CG LYS A 80 10.475 3.991 -13.230 1.00 0.00 C ATOM 1225 CD LYS A 80 10.534 4.592 -14.636 1.00 0.00 C ATOM 1226 CE LYS A 80 11.907 4.367 -15.272 1.00 0.00 C ATOM 1227 NZ LYS A 80 12.158 5.369 -16.332 1.00 0.00 N ATOM 0 H LYS A 80 11.408 5.988 -11.314 1.00 0.00 H new ATOM 0 HA LYS A 80 8.830 4.826 -10.374 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.448 4.046 -12.492 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.137 5.628 -12.800 1.00 0.00 H new ATOM 0 HG2 LYS A 80 11.433 4.133 -12.729 1.00 0.00 H new ATOM 0 HG3 LYS A 80 10.307 2.916 -13.297 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.762 4.142 -15.260 1.00 0.00 H new ATOM 0 HD3 LYS A 80 10.322 5.660 -14.588 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.683 4.434 -14.509 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.959 3.363 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.094 5.202 -16.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.428 5.286 -17.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 12.129 6.324 -15.921 1.00 0.00 H new ATOM 1240 N VAL A 81 9.749 2.667 -9.716 1.00 0.00 N ATOM 1241 CA VAL A 81 10.316 1.454 -9.153 1.00 0.00 C ATOM 1242 C VAL A 81 9.584 0.239 -9.729 1.00 0.00 C ATOM 1243 O VAL A 81 8.425 0.340 -10.127 1.00 0.00 O ATOM 1244 CB VAL A 81 10.265 1.513 -7.625 1.00 0.00 C ATOM 1245 CG1 VAL A 81 11.071 2.700 -7.096 1.00 0.00 C ATOM 1246 CG2 VAL A 81 8.820 1.564 -7.125 1.00 0.00 C ATOM 0 H VAL A 81 8.753 2.795 -9.537 1.00 0.00 H new ATOM 0 HA VAL A 81 11.367 1.361 -9.427 1.00 0.00 H new ATOM 0 HB VAL A 81 10.720 0.601 -7.239 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.019 2.719 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.111 2.601 -7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.659 3.627 -7.496 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.813 1.605 -6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.328 2.450 -7.525 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.288 0.673 -7.458 1.00 0.00 H new ATOM 1256 N LYS A 82 10.291 -0.881 -9.754 1.00 0.00 N ATOM 1257 CA LYS A 82 9.724 -2.113 -10.273 1.00 0.00 C ATOM 1258 C LYS A 82 9.256 -2.986 -9.108 1.00 0.00 C ATOM 1259 O LYS A 82 10.074 -3.491 -8.339 1.00 0.00 O ATOM 1260 CB LYS A 82 10.718 -2.810 -11.203 1.00 0.00 C ATOM 1261 CG LYS A 82 11.188 -1.864 -12.311 1.00 0.00 C ATOM 1262 CD LYS A 82 12.537 -1.234 -11.957 1.00 0.00 C ATOM 1263 CE LYS A 82 13.694 -2.082 -12.486 1.00 0.00 C ATOM 1264 NZ LYS A 82 14.889 -1.921 -11.626 1.00 0.00 N ATOM 0 H LYS A 82 11.252 -0.961 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 82 8.847 -1.900 -10.884 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.576 -3.158 -10.629 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.252 -3.691 -11.645 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.273 -2.411 -13.250 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.446 -1.081 -12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.595 -0.230 -12.378 1.00 0.00 H new ATOM 0 HD3 LYS A 82 12.622 -1.131 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.400 -3.131 -12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.932 -1.787 -13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 15.666 -2.503 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.178 -0.922 -11.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 14.663 -2.224 -10.657 1.00 0.00 H new ATOM 1277 N THR A 83 7.944 -3.138 -9.012 1.00 0.00 N ATOM 1278 CA THR A 83 7.359 -3.943 -7.952 1.00 0.00 C ATOM 1279 C THR A 83 6.980 -5.327 -8.480 1.00 0.00 C ATOM 1280 O THR A 83 6.443 -5.450 -9.580 1.00 0.00 O ATOM 1281 CB THR A 83 6.174 -3.169 -7.371 1.00 0.00 C ATOM 1282 OG1 THR A 83 5.572 -2.551 -8.507 1.00 0.00 O ATOM 1283 CG2 THR A 83 6.614 -1.992 -6.498 1.00 0.00 C ATOM 0 H THR A 83 7.269 -2.718 -9.650 1.00 0.00 H new ATOM 0 HA THR A 83 8.075 -4.121 -7.150 1.00 0.00 H new ATOM 0 HB THR A 83 5.553 -3.845 -6.783 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.016 -1.799 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.735 -1.477 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.214 -2.360 -5.666 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.207 -1.299 -7.094 1.00 0.00 H new ATOM 1291 N VAL A 84 7.275 -6.334 -7.672 1.00 0.00 N ATOM 1292 CA VAL A 84 6.972 -7.706 -8.045 1.00 0.00 C ATOM 1293 C VAL A 84 6.102 -8.344 -6.959 1.00 0.00 C ATOM 1294 O VAL A 84 6.410 -8.245 -5.774 1.00 0.00 O ATOM 1295 CB VAL A 84 8.268 -8.477 -8.301 1.00 0.00 C ATOM 1296 CG1 VAL A 84 8.944 -8.866 -6.985 1.00 0.00 C ATOM 1297 CG2 VAL A 84 8.011 -9.708 -9.171 1.00 0.00 C ATOM 0 H VAL A 84 7.721 -6.228 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 84 6.404 -7.733 -8.975 1.00 0.00 H new ATOM 0 HB VAL A 84 8.947 -7.820 -8.844 1.00 0.00 H new ATOM 0 HG11 VAL A 84 9.863 -9.413 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 84 9.180 -7.966 -6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.272 -9.497 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 84 8.949 -10.238 -9.338 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.305 -10.369 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.595 -9.396 -10.129 1.00 0.00 H new ATOM 1307 N VAL A 85 5.032 -8.985 -7.406 1.00 0.00 N ATOM 1308 CA VAL A 85 4.115 -9.640 -6.488 1.00 0.00 C ATOM 1309 C VAL A 85 4.314 -11.154 -6.569 1.00 0.00 C ATOM 1310 O VAL A 85 4.304 -11.729 -7.656 1.00 0.00 O ATOM 1311 CB VAL A 85 2.677 -9.209 -6.790 1.00 0.00 C ATOM 1312 CG1 VAL A 85 1.673 -10.107 -6.064 1.00 0.00 C ATOM 1313 CG2 VAL A 85 2.459 -7.739 -6.429 1.00 0.00 C ATOM 0 H VAL A 85 4.779 -9.065 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 85 4.322 -9.340 -5.461 1.00 0.00 H new ATOM 0 HB VAL A 85 2.511 -9.319 -7.862 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.659 -9.780 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.805 -11.139 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.839 -10.043 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.430 -7.458 -6.653 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.652 -7.593 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.140 -7.117 -7.010 1.00 0.00 H new ATOM 1323 N GLN A 86 4.491 -11.758 -5.402 1.00 0.00 N ATOM 1324 CA GLN A 86 4.693 -13.195 -5.326 1.00 0.00 C ATOM 1325 C GLN A 86 3.520 -13.858 -4.601 1.00 0.00 C ATOM 1326 O GLN A 86 2.790 -13.199 -3.862 1.00 0.00 O ATOM 1327 CB GLN A 86 6.020 -13.527 -4.640 1.00 0.00 C ATOM 1328 CG GLN A 86 7.110 -13.828 -5.672 1.00 0.00 C ATOM 1329 CD GLN A 86 8.414 -13.110 -5.317 1.00 0.00 C ATOM 1330 OE1 GLN A 86 8.472 -12.278 -4.427 1.00 0.00 O ATOM 1331 NE2 GLN A 86 9.453 -13.478 -6.061 1.00 0.00 N ATOM 0 H GLN A 86 4.499 -11.278 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 86 4.738 -13.590 -6.341 1.00 0.00 H new ATOM 0 HB2 GLN A 86 6.329 -12.691 -4.013 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.889 -14.387 -3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.284 -14.903 -5.720 1.00 0.00 H new ATOM 0 HG3 GLN A 86 6.776 -13.515 -6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.334 -14.181 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.368 -13.057 -5.902 1.00 0.00 H new ATOM 1340 N LEU A 87 3.375 -15.154 -4.838 1.00 0.00 N ATOM 1341 CA LEU A 87 2.304 -15.913 -4.218 1.00 0.00 C ATOM 1342 C LEU A 87 2.905 -16.946 -3.261 1.00 0.00 C ATOM 1343 O LEU A 87 3.824 -17.676 -3.628 1.00 0.00 O ATOM 1344 CB LEU A 87 1.390 -16.520 -5.283 1.00 0.00 C ATOM 1345 CG LEU A 87 1.664 -17.981 -5.648 1.00 0.00 C ATOM 1346 CD1 LEU A 87 1.149 -18.924 -4.559 1.00 0.00 C ATOM 1347 CD2 LEU A 87 1.082 -18.321 -7.022 1.00 0.00 C ATOM 0 H LEU A 87 3.982 -15.697 -5.452 1.00 0.00 H new ATOM 0 HA LEU A 87 1.668 -15.258 -3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.359 -16.440 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.471 -15.919 -6.188 1.00 0.00 H new ATOM 0 HG LEU A 87 2.743 -18.121 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.356 -19.956 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.649 -18.700 -3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.074 -18.790 -4.440 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.290 -19.365 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.004 -18.160 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.536 -17.681 -7.778 1.00 0.00 H new ATOM 1359 N GLU A 88 2.361 -16.974 -2.053 1.00 0.00 N ATOM 1360 CA GLU A 88 2.831 -17.905 -1.042 1.00 0.00 C ATOM 1361 C GLU A 88 1.646 -18.596 -0.364 1.00 0.00 C ATOM 1362 O GLU A 88 0.521 -18.103 -0.420 1.00 0.00 O ATOM 1363 CB GLU A 88 3.714 -17.196 -0.012 1.00 0.00 C ATOM 1364 CG GLU A 88 4.977 -18.009 0.278 1.00 0.00 C ATOM 1365 CD GLU A 88 6.139 -17.094 0.671 1.00 0.00 C ATOM 1366 OE1 GLU A 88 6.800 -16.521 -0.207 1.00 0.00 O ATOM 1367 OE2 GLU A 88 6.345 -16.989 1.941 1.00 0.00 O ATOM 0 H GLU A 88 1.599 -16.367 -1.752 1.00 0.00 H new ATOM 0 HA GLU A 88 3.439 -18.666 -1.532 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.990 -16.208 -0.382 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.154 -17.046 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 88 4.780 -18.719 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.249 -18.591 -0.602 1.00 0.00 H new ATOM 1375 N GLY A 89 1.939 -19.729 0.258 1.00 0.00 N ATOM 1376 CA GLY A 89 0.912 -20.493 0.945 1.00 0.00 C ATOM 1377 C GLY A 89 -0.268 -20.786 0.015 1.00 0.00 C ATOM 1378 O GLY A 89 -0.091 -21.374 -1.051 1.00 0.00 O ATOM 0 H GLY A 89 2.873 -20.136 0.300 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.333 -21.430 1.310 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.564 -19.939 1.817 1.00 0.00 H new ATOM 1382 N ASP A 90 -1.444 -20.362 0.452 1.00 0.00 N ATOM 1383 CA ASP A 90 -2.652 -20.572 -0.327 1.00 0.00 C ATOM 1384 C ASP A 90 -3.595 -19.383 -0.128 1.00 0.00 C ATOM 1385 O ASP A 90 -4.791 -19.483 -0.399 1.00 0.00 O ATOM 1386 CB ASP A 90 -3.385 -21.837 0.122 1.00 0.00 C ATOM 1387 CG ASP A 90 -3.256 -23.031 -0.827 1.00 0.00 C ATOM 1388 OD1 ASP A 90 -2.358 -23.872 -0.676 1.00 0.00 O ATOM 1389 OD2 ASP A 90 -4.140 -23.078 -1.766 1.00 0.00 O ATOM 0 H ASP A 90 -1.586 -19.874 1.336 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.364 -20.675 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.008 -22.129 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.442 -21.602 0.244 1.00 0.00 H new ATOM 1395 N ASN A 91 -3.021 -18.286 0.342 1.00 0.00 N ATOM 1396 CA ASN A 91 -3.795 -17.080 0.581 1.00 0.00 C ATOM 1397 C ASN A 91 -2.878 -15.994 1.146 1.00 0.00 C ATOM 1398 O ASN A 91 -3.281 -15.229 2.022 1.00 0.00 O ATOM 1399 CB ASN A 91 -4.910 -17.333 1.598 1.00 0.00 C ATOM 1400 CG ASN A 91 -6.272 -16.927 1.031 1.00 0.00 C ATOM 1401 OD1 ASN A 91 -6.381 -16.359 -0.044 1.00 0.00 O ATOM 1402 ND2 ASN A 91 -7.301 -17.249 1.810 1.00 0.00 N ATOM 0 H ASN A 91 -2.029 -18.207 0.564 1.00 0.00 H new ATOM 0 HA ASN A 91 -4.235 -16.769 -0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -4.926 -18.388 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -4.710 -16.771 2.510 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -8.252 -17.021 1.519 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.139 -17.724 2.698 1.00 0.00 H new ATOM 1409 N LYS A 92 -1.662 -15.960 0.622 1.00 0.00 N ATOM 1410 CA LYS A 92 -0.683 -14.979 1.063 1.00 0.00 C ATOM 1411 C LYS A 92 0.169 -14.543 -0.130 1.00 0.00 C ATOM 1412 O LYS A 92 0.672 -15.380 -0.877 1.00 0.00 O ATOM 1413 CB LYS A 92 0.133 -15.528 2.235 1.00 0.00 C ATOM 1414 CG LYS A 92 1.302 -14.599 2.571 1.00 0.00 C ATOM 1415 CD LYS A 92 2.371 -15.334 3.380 1.00 0.00 C ATOM 1416 CE LYS A 92 3.331 -14.346 4.047 1.00 0.00 C ATOM 1417 NZ LYS A 92 4.146 -15.029 5.077 1.00 0.00 N ATOM 0 H LYS A 92 -1.331 -16.596 -0.104 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.181 -14.086 1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.509 -15.641 3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.511 -16.520 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.739 -14.212 1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.938 -13.741 3.137 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.895 -15.953 4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.930 -16.004 2.727 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.983 -13.900 3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.766 -13.532 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.792 -14.344 5.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 3.520 -15.434 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.699 -15.790 4.634 1.00 0.00 H new ATOM 1430 N LEU A 93 0.304 -13.233 -0.272 1.00 0.00 N ATOM 1431 CA LEU A 93 1.087 -12.675 -1.362 1.00 0.00 C ATOM 1432 C LEU A 93 2.299 -11.939 -0.788 1.00 0.00 C ATOM 1433 O LEU A 93 2.219 -11.350 0.289 1.00 0.00 O ATOM 1434 CB LEU A 93 0.207 -11.805 -2.262 1.00 0.00 C ATOM 1435 CG LEU A 93 -0.923 -12.528 -2.996 1.00 0.00 C ATOM 1436 CD1 LEU A 93 -2.223 -12.473 -2.192 1.00 0.00 C ATOM 1437 CD2 LEU A 93 -1.101 -11.974 -4.411 1.00 0.00 C ATOM 0 H LEU A 93 -0.115 -12.541 0.349 1.00 0.00 H new ATOM 0 HA LEU A 93 1.471 -13.469 -2.003 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -0.230 -11.013 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.844 -11.322 -3.003 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.649 -13.578 -3.093 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.010 -12.995 -2.737 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.073 -12.952 -1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -2.514 -11.433 -2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -1.911 -12.506 -4.911 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.342 -10.912 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.177 -12.109 -4.973 1.00 0.00 H new ATOM 1449 N VAL A 94 3.392 -11.995 -1.534 1.00 0.00 N ATOM 1450 CA VAL A 94 4.620 -11.339 -1.112 1.00 0.00 C ATOM 1451 C VAL A 94 5.072 -10.365 -2.202 1.00 0.00 C ATOM 1452 O VAL A 94 5.383 -10.778 -3.319 1.00 0.00 O ATOM 1453 CB VAL A 94 5.680 -12.387 -0.769 1.00 0.00 C ATOM 1454 CG1 VAL A 94 6.942 -11.725 -0.210 1.00 0.00 C ATOM 1455 CG2 VAL A 94 5.127 -13.427 0.208 1.00 0.00 C ATOM 0 H VAL A 94 3.454 -12.484 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 94 4.452 -10.757 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 94 5.952 -12.904 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.681 -12.491 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.353 -11.041 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 94 6.692 -11.171 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.901 -14.160 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.815 -12.932 1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 94 4.271 -13.930 -0.242 1.00 0.00 H new ATOM 1465 N THR A 95 5.094 -9.091 -1.841 1.00 0.00 N ATOM 1466 CA THR A 95 5.504 -8.055 -2.774 1.00 0.00 C ATOM 1467 C THR A 95 6.484 -7.091 -2.102 1.00 0.00 C ATOM 1468 O THR A 95 6.388 -6.836 -0.903 1.00 0.00 O ATOM 1469 CB THR A 95 4.242 -7.370 -3.302 1.00 0.00 C ATOM 1470 OG1 THR A 95 4.579 -5.985 -3.315 1.00 0.00 O ATOM 1471 CG2 THR A 95 3.072 -7.460 -2.322 1.00 0.00 C ATOM 0 H THR A 95 4.834 -8.752 -0.915 1.00 0.00 H new ATOM 0 HA THR A 95 6.042 -8.476 -3.623 1.00 0.00 H new ATOM 0 HB THR A 95 3.954 -7.822 -4.251 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.817 -5.466 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.202 -6.958 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.832 -8.507 -2.137 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.346 -6.979 -1.383 1.00 0.00 H new ATOM 1479 N THR A 96 7.405 -6.579 -2.906 1.00 0.00 N ATOM 1480 CA THR A 96 8.402 -5.648 -2.405 1.00 0.00 C ATOM 1481 C THR A 96 8.615 -4.508 -3.403 1.00 0.00 C ATOM 1482 O THR A 96 8.358 -4.665 -4.596 1.00 0.00 O ATOM 1483 CB THR A 96 9.677 -6.438 -2.102 1.00 0.00 C ATOM 1484 OG1 THR A 96 9.202 -7.680 -1.591 1.00 0.00 O ATOM 1485 CG2 THR A 96 10.476 -5.838 -0.945 1.00 0.00 C ATOM 0 H THR A 96 7.482 -6.791 -3.901 1.00 0.00 H new ATOM 0 HA THR A 96 8.071 -5.172 -1.482 1.00 0.00 H new ATOM 0 HB THR A 96 10.303 -6.474 -2.994 1.00 0.00 H new ATOM 0 HG1 THR A 96 9.964 -8.255 -1.370 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.370 -6.436 -0.772 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.765 -4.817 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.863 -5.832 -0.044 1.00 0.00 H new ATOM 1493 N PHE A 97 9.084 -3.385 -2.878 1.00 0.00 N ATOM 1494 CA PHE A 97 9.335 -2.219 -3.708 1.00 0.00 C ATOM 1495 C PHE A 97 10.575 -1.462 -3.228 1.00 0.00 C ATOM 1496 O PHE A 97 10.632 -1.018 -2.082 1.00 0.00 O ATOM 1497 CB PHE A 97 8.113 -1.307 -3.579 1.00 0.00 C ATOM 1498 CG PHE A 97 8.143 -0.399 -2.349 1.00 0.00 C ATOM 1499 CD1 PHE A 97 8.731 0.825 -2.420 1.00 0.00 C ATOM 1500 CD2 PHE A 97 7.578 -0.815 -1.183 1.00 0.00 C ATOM 1501 CE1 PHE A 97 8.758 1.668 -1.278 1.00 0.00 C ATOM 1502 CE2 PHE A 97 7.605 0.029 -0.041 1.00 0.00 C ATOM 1503 CZ PHE A 97 8.195 1.253 -0.113 1.00 0.00 C ATOM 0 H PHE A 97 9.297 -3.258 -1.889 1.00 0.00 H new ATOM 0 HA PHE A 97 9.506 -2.526 -4.740 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.038 -0.688 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.215 -1.923 -3.541 1.00 0.00 H new ATOM 0 HD1 PHE A 97 9.178 1.156 -3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 97 7.109 -1.786 -1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 97 9.226 2.640 -1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 97 7.157 -0.301 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 97 8.216 1.895 0.756 1.00 0.00 H new ATOM 1513 N LYS A 98 11.539 -1.337 -4.129 1.00 0.00 N ATOM 1514 CA LYS A 98 12.774 -0.641 -3.812 1.00 0.00 C ATOM 1515 C LYS A 98 13.517 -1.404 -2.715 1.00 0.00 C ATOM 1516 O LYS A 98 13.532 -2.634 -2.710 1.00 0.00 O ATOM 1517 CB LYS A 98 12.491 0.821 -3.462 1.00 0.00 C ATOM 1518 CG LYS A 98 13.657 1.720 -3.875 1.00 0.00 C ATOM 1519 CD LYS A 98 14.085 2.628 -2.720 1.00 0.00 C ATOM 1520 CE LYS A 98 13.614 4.066 -2.949 1.00 0.00 C ATOM 1521 NZ LYS A 98 14.419 4.711 -4.010 1.00 0.00 N ATOM 0 H LYS A 98 11.489 -1.706 -5.079 1.00 0.00 H new ATOM 0 HA LYS A 98 13.430 -0.614 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.580 1.148 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 98 12.317 0.915 -2.390 1.00 0.00 H new ATOM 0 HG2 LYS A 98 14.500 1.106 -4.191 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.366 2.328 -4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 98 13.672 2.251 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 98 15.170 2.609 -2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 98 12.561 4.070 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 98 13.699 4.635 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 14.257 5.738 -3.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 15.428 4.517 -3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 14.139 4.332 -4.937 1.00 0.00 H new ATOM 1534 N ASN A 99 14.116 -0.643 -1.811 1.00 0.00 N ATOM 1535 CA ASN A 99 14.859 -1.232 -0.710 1.00 0.00 C ATOM 1536 C ASN A 99 13.930 -1.403 0.493 1.00 0.00 C ATOM 1537 O ASN A 99 14.393 -1.552 1.624 1.00 0.00 O ATOM 1538 CB ASN A 99 16.021 -0.332 -0.286 1.00 0.00 C ATOM 1539 CG ASN A 99 17.077 -0.242 -1.389 1.00 0.00 C ATOM 1540 OD1 ASN A 99 16.773 -0.148 -2.567 1.00 0.00 O ATOM 1541 ND2 ASN A 99 18.329 -0.276 -0.944 1.00 0.00 N ATOM 0 H ASN A 99 14.102 0.377 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 99 15.250 -2.193 -1.043 1.00 0.00 H new ATOM 0 HB2 ASN A 99 15.647 0.665 -0.054 1.00 0.00 H new ATOM 0 HB3 ASN A 99 16.474 -0.723 0.625 1.00 0.00 H new ATOM 0 HD21 ASN A 99 19.106 -0.222 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 99 18.513 -0.356 0.056 1.00 0.00 H new ATOM 1548 N ILE A 100 12.636 -1.376 0.210 1.00 0.00 N ATOM 1549 CA ILE A 100 11.637 -1.527 1.255 1.00 0.00 C ATOM 1550 C ILE A 100 11.107 -2.962 1.245 1.00 0.00 C ATOM 1551 O ILE A 100 10.819 -3.514 0.184 1.00 0.00 O ATOM 1552 CB ILE A 100 10.545 -0.466 1.109 1.00 0.00 C ATOM 1553 CG1 ILE A 100 11.075 0.922 1.470 1.00 0.00 C ATOM 1554 CG2 ILE A 100 9.306 -0.838 1.926 1.00 0.00 C ATOM 1555 CD1 ILE A 100 11.653 1.626 0.241 1.00 0.00 C ATOM 0 H ILE A 100 12.256 -1.252 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 100 12.083 -1.359 2.235 1.00 0.00 H new ATOM 0 HB ILE A 100 10.242 -0.431 0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 100 10.270 1.524 1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 100 11.844 0.833 2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.545 -0.067 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.914 -1.793 1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.575 -0.919 2.979 1.00 0.00 H new ATOM 0 HD11 ILE A 100 12.023 2.611 0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 100 12.473 1.034 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.875 1.735 -0.515 1.00 0.00 H new ATOM 1567 N LYS A 101 10.995 -3.525 2.439 1.00 0.00 N ATOM 1568 CA LYS A 101 10.505 -4.886 2.581 1.00 0.00 C ATOM 1569 C LYS A 101 9.001 -4.855 2.865 1.00 0.00 C ATOM 1570 O LYS A 101 8.563 -4.248 3.841 1.00 0.00 O ATOM 1571 CB LYS A 101 11.315 -5.640 3.638 1.00 0.00 C ATOM 1572 CG LYS A 101 10.609 -5.610 4.995 1.00 0.00 C ATOM 1573 CD LYS A 101 11.508 -6.180 6.093 1.00 0.00 C ATOM 1574 CE LYS A 101 10.720 -6.403 7.386 1.00 0.00 C ATOM 1575 NZ LYS A 101 10.398 -7.837 7.556 1.00 0.00 N ATOM 0 H LYS A 101 11.235 -3.064 3.317 1.00 0.00 H new ATOM 0 HA LYS A 101 10.643 -5.439 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 101 11.459 -6.673 3.322 1.00 0.00 H new ATOM 0 HB3 LYS A 101 12.305 -5.193 3.729 1.00 0.00 H new ATOM 0 HG2 LYS A 101 10.332 -4.585 5.242 1.00 0.00 H new ATOM 0 HG3 LYS A 101 9.685 -6.186 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.942 -7.123 5.760 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.336 -5.497 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 101 11.301 -6.051 8.238 1.00 0.00 H new ATOM 0 HE3 LYS A 101 9.801 -5.818 7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.863 -7.971 8.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 9.825 -8.162 6.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.279 -8.388 7.598 1.00 0.00 H new ATOM 1588 N SER A 102 8.253 -5.516 1.995 1.00 0.00 N ATOM 1589 CA SER A 102 6.809 -5.572 2.140 1.00 0.00 C ATOM 1590 C SER A 102 6.351 -7.026 2.271 1.00 0.00 C ATOM 1591 O SER A 102 6.910 -7.916 1.631 1.00 0.00 O ATOM 1592 CB SER A 102 6.111 -4.900 0.956 1.00 0.00 C ATOM 1593 OG SER A 102 4.918 -5.585 0.581 1.00 0.00 O ATOM 0 H SER A 102 8.620 -6.018 1.186 1.00 0.00 H new ATOM 0 HA SER A 102 6.535 -5.030 3.045 1.00 0.00 H new ATOM 0 HB2 SER A 102 5.871 -3.869 1.214 1.00 0.00 H new ATOM 0 HB3 SER A 102 6.792 -4.865 0.106 1.00 0.00 H new ATOM 0 HG SER A 102 5.087 -6.122 -0.221 1.00 0.00 H new ATOM 1599 N VAL A 103 5.339 -7.222 3.103 1.00 0.00 N ATOM 1600 CA VAL A 103 4.801 -8.553 3.326 1.00 0.00 C ATOM 1601 C VAL A 103 3.275 -8.476 3.390 1.00 0.00 C ATOM 1602 O VAL A 103 2.719 -7.774 4.234 1.00 0.00 O ATOM 1603 CB VAL A 103 5.422 -9.166 4.583 1.00 0.00 C ATOM 1604 CG1 VAL A 103 4.503 -10.230 5.186 1.00 0.00 C ATOM 1605 CG2 VAL A 103 6.808 -9.741 4.285 1.00 0.00 C ATOM 0 H VAL A 103 4.877 -6.481 3.631 1.00 0.00 H new ATOM 0 HA VAL A 103 5.060 -9.213 2.498 1.00 0.00 H new ATOM 0 HB VAL A 103 5.541 -8.372 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.968 -10.649 6.078 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.548 -9.777 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 103 4.337 -11.023 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.227 -10.170 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.724 -10.516 3.523 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.462 -8.947 3.924 1.00 0.00 H new ATOM 1615 N THR A 104 2.638 -9.208 2.487 1.00 0.00 N ATOM 1616 CA THR A 104 1.187 -9.231 2.430 1.00 0.00 C ATOM 1617 C THR A 104 0.655 -10.576 2.932 1.00 0.00 C ATOM 1618 O THR A 104 1.216 -11.624 2.620 1.00 0.00 O ATOM 1619 CB THR A 104 0.764 -8.909 0.995 1.00 0.00 C ATOM 1620 OG1 THR A 104 1.925 -8.320 0.415 1.00 0.00 O ATOM 1621 CG2 THR A 104 -0.288 -7.801 0.930 1.00 0.00 C ATOM 0 H THR A 104 3.101 -9.790 1.789 1.00 0.00 H new ATOM 0 HA THR A 104 0.754 -8.478 3.089 1.00 0.00 H new ATOM 0 HB THR A 104 0.373 -9.809 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.716 -7.410 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 104 -0.553 -7.612 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.177 -8.110 1.480 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.115 -6.890 1.373 1.00 0.00 H new ATOM 1629 N GLU A 105 -0.420 -10.500 3.702 1.00 0.00 N ATOM 1630 CA GLU A 105 -1.034 -11.697 4.251 1.00 0.00 C ATOM 1631 C GLU A 105 -2.552 -11.526 4.334 1.00 0.00 C ATOM 1632 O GLU A 105 -3.048 -10.407 4.460 1.00 0.00 O ATOM 1633 CB GLU A 105 -0.445 -12.035 5.622 1.00 0.00 C ATOM 1634 CG GLU A 105 -0.210 -13.541 5.761 1.00 0.00 C ATOM 1635 CD GLU A 105 -0.699 -14.049 7.120 1.00 0.00 C ATOM 1636 OE1 GLU A 105 -1.705 -13.549 7.643 1.00 0.00 O ATOM 1637 OE2 GLU A 105 0.007 -15.000 7.632 1.00 0.00 O ATOM 0 H GLU A 105 -0.882 -9.628 3.959 1.00 0.00 H new ATOM 0 HA GLU A 105 -0.818 -12.531 3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 105 0.496 -11.502 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -1.121 -11.695 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.731 -14.069 4.962 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.852 -13.759 5.648 1.00 0.00 H new ATOM 1645 N LEU A 106 -3.248 -12.651 4.258 1.00 0.00 N ATOM 1646 CA LEU A 106 -4.699 -12.639 4.322 1.00 0.00 C ATOM 1647 C LEU A 106 -5.146 -13.047 5.727 1.00 0.00 C ATOM 1648 O LEU A 106 -4.844 -14.149 6.184 1.00 0.00 O ATOM 1649 CB LEU A 106 -5.291 -13.510 3.212 1.00 0.00 C ATOM 1650 CG LEU A 106 -6.736 -13.200 2.816 1.00 0.00 C ATOM 1651 CD1 LEU A 106 -6.889 -11.735 2.401 1.00 0.00 C ATOM 1652 CD2 LEU A 106 -7.224 -14.158 1.727 1.00 0.00 C ATOM 0 H LEU A 106 -2.833 -13.577 4.153 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.080 -11.633 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.663 -13.412 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.237 -14.552 3.527 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.370 -13.355 3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.925 -11.542 2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.609 -11.090 3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.242 -11.529 1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -8.254 -13.916 1.464 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -6.591 -14.059 0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.175 -15.183 2.095 1.00 0.00 H new ATOM 1664 N ASN A 107 -5.859 -12.136 6.374 1.00 0.00 N ATOM 1665 CA ASN A 107 -6.351 -12.387 7.718 1.00 0.00 C ATOM 1666 C ASN A 107 -7.793 -11.888 7.830 1.00 0.00 C ATOM 1667 O ASN A 107 -8.029 -10.692 7.992 1.00 0.00 O ATOM 1668 CB ASN A 107 -5.511 -11.645 8.760 1.00 0.00 C ATOM 1669 CG ASN A 107 -4.252 -12.436 9.114 1.00 0.00 C ATOM 1670 OD1 ASN A 107 -4.026 -13.538 8.643 1.00 0.00 O ATOM 1671 ND2 ASN A 107 -3.443 -11.814 9.968 1.00 0.00 N ATOM 0 H ASN A 107 -6.108 -11.223 5.992 1.00 0.00 H new ATOM 0 HA ASN A 107 -6.291 -13.459 7.904 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -5.232 -10.664 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.105 -11.478 9.659 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -2.575 -12.260 10.265 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -3.691 -10.891 10.325 1.00 0.00 H new ATOM 1678 N GLY A 108 -8.719 -12.831 7.740 1.00 0.00 N ATOM 1679 CA GLY A 108 -10.132 -12.502 7.830 1.00 0.00 C ATOM 1680 C GLY A 108 -10.534 -11.508 6.738 1.00 0.00 C ATOM 1681 O GLY A 108 -10.420 -11.806 5.549 1.00 0.00 O ATOM 0 H GLY A 108 -8.519 -13.822 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.727 -13.410 7.737 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.349 -12.078 8.810 1.00 0.00 H new ATOM 1685 N ASP A 109 -10.997 -10.348 7.179 1.00 0.00 N ATOM 1686 CA ASP A 109 -11.415 -9.308 6.254 1.00 0.00 C ATOM 1687 C ASP A 109 -10.493 -8.098 6.403 1.00 0.00 C ATOM 1688 O ASP A 109 -10.781 -7.025 5.874 1.00 0.00 O ATOM 1689 CB ASP A 109 -12.846 -8.853 6.550 1.00 0.00 C ATOM 1690 CG ASP A 109 -13.929 -9.538 5.714 1.00 0.00 C ATOM 1691 OD1 ASP A 109 -14.882 -10.119 6.256 1.00 0.00 O ATOM 1692 OD2 ASP A 109 -13.764 -9.458 4.437 1.00 0.00 O ATOM 0 H ASP A 109 -11.092 -10.105 8.165 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.367 -9.715 5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -13.056 -9.030 7.605 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -12.910 -7.777 6.388 1.00 0.00 H new ATOM 1698 N ILE A 110 -9.403 -8.309 7.126 1.00 0.00 N ATOM 1699 CA ILE A 110 -8.437 -7.248 7.352 1.00 0.00 C ATOM 1700 C ILE A 110 -7.086 -7.661 6.766 1.00 0.00 C ATOM 1701 O ILE A 110 -6.686 -8.819 6.877 1.00 0.00 O ATOM 1702 CB ILE A 110 -8.379 -6.882 8.836 1.00 0.00 C ATOM 1703 CG1 ILE A 110 -9.775 -6.588 9.384 1.00 0.00 C ATOM 1704 CG2 ILE A 110 -7.411 -5.722 9.078 1.00 0.00 C ATOM 1705 CD1 ILE A 110 -10.423 -7.855 9.947 1.00 0.00 C ATOM 0 H ILE A 110 -9.168 -9.200 7.563 1.00 0.00 H new ATOM 0 HA ILE A 110 -8.743 -6.338 6.836 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.994 -7.742 9.384 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.710 -5.831 10.165 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -10.401 -6.177 8.592 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -7.389 -5.482 10.141 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -6.412 -6.008 8.750 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -7.742 -4.849 8.516 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -11.415 -7.617 10.330 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.508 -8.602 9.157 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.807 -8.250 10.755 1.00 0.00 H new ATOM 1717 N ILE A 111 -6.419 -6.692 6.154 1.00 0.00 N ATOM 1718 CA ILE A 111 -5.122 -6.942 5.551 1.00 0.00 C ATOM 1719 C ILE A 111 -4.085 -6.007 6.177 1.00 0.00 C ATOM 1720 O ILE A 111 -4.212 -4.787 6.089 1.00 0.00 O ATOM 1721 CB ILE A 111 -5.209 -6.831 4.028 1.00 0.00 C ATOM 1722 CG1 ILE A 111 -6.268 -5.808 3.612 1.00 0.00 C ATOM 1723 CG2 ILE A 111 -5.455 -8.201 3.392 1.00 0.00 C ATOM 1724 CD1 ILE A 111 -7.645 -6.462 3.492 1.00 0.00 C ATOM 0 H ILE A 111 -6.754 -5.733 6.063 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.797 -7.962 5.755 1.00 0.00 H new ATOM 0 HB ILE A 111 -4.250 -6.470 3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -6.307 -5.002 4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -5.990 -5.359 2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -5.513 -8.094 2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.636 -8.873 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.392 -8.613 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -8.379 -5.713 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -7.609 -7.252 2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -7.930 -6.888 4.454 1.00 0.00 H new ATOM 1736 N THR A 112 -3.083 -6.615 6.794 1.00 0.00 N ATOM 1737 CA THR A 112 -2.025 -5.852 7.435 1.00 0.00 C ATOM 1738 C THR A 112 -0.742 -5.920 6.605 1.00 0.00 C ATOM 1739 O THR A 112 -0.307 -7.002 6.213 1.00 0.00 O ATOM 1740 CB THR A 112 -1.855 -6.383 8.859 1.00 0.00 C ATOM 1741 OG1 THR A 112 -2.994 -5.881 9.555 1.00 0.00 O ATOM 1742 CG2 THR A 112 -0.667 -5.748 9.583 1.00 0.00 C ATOM 0 H THR A 112 -2.981 -7.627 6.864 1.00 0.00 H new ATOM 0 HA THR A 112 -2.281 -4.794 7.496 1.00 0.00 H new ATOM 0 HB THR A 112 -1.726 -7.465 8.830 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.965 -6.180 10.488 1.00 0.00 H new ATOM 0 HG21 THR A 112 -0.592 -6.160 10.589 1.00 0.00 H new ATOM 0 HG22 THR A 112 0.250 -5.961 9.034 1.00 0.00 H new ATOM 0 HG23 THR A 112 -0.812 -4.669 9.643 1.00 0.00 H new ATOM 1750 N ASN A 113 -0.170 -4.749 6.361 1.00 0.00 N ATOM 1751 CA ASN A 113 1.055 -4.662 5.585 1.00 0.00 C ATOM 1752 C ASN A 113 2.215 -4.293 6.511 1.00 0.00 C ATOM 1753 O ASN A 113 2.038 -3.536 7.464 1.00 0.00 O ATOM 1754 CB ASN A 113 0.949 -3.580 4.508 1.00 0.00 C ATOM 1755 CG ASN A 113 0.534 -2.239 5.117 1.00 0.00 C ATOM 1756 OD1 ASN A 113 -0.586 -2.048 5.562 1.00 0.00 O ATOM 1757 ND2 ASN A 113 1.498 -1.322 5.113 1.00 0.00 N ATOM 0 H ASN A 113 -0.533 -3.853 6.687 1.00 0.00 H new ATOM 0 HA ASN A 113 1.223 -5.629 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 113 1.908 -3.472 4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.222 -3.882 3.754 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.321 -0.394 5.498 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.414 -1.547 4.725 1.00 0.00 H new ATOM 1764 N THR A 114 3.378 -4.847 6.199 1.00 0.00 N ATOM 1765 CA THR A 114 4.568 -4.587 6.993 1.00 0.00 C ATOM 1766 C THR A 114 5.632 -3.891 6.143 1.00 0.00 C ATOM 1767 O THR A 114 5.973 -4.362 5.058 1.00 0.00 O ATOM 1768 CB THR A 114 5.039 -5.914 7.588 1.00 0.00 C ATOM 1769 OG1 THR A 114 4.609 -6.891 6.644 1.00 0.00 O ATOM 1770 CG2 THR A 114 4.288 -6.281 8.870 1.00 0.00 C ATOM 0 H THR A 114 3.522 -5.474 5.408 1.00 0.00 H new ATOM 0 HA THR A 114 4.354 -3.904 7.815 1.00 0.00 H new ATOM 0 HB THR A 114 6.108 -5.858 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 114 4.426 -7.735 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 114 4.661 -7.232 9.251 1.00 0.00 H new ATOM 0 HG22 THR A 114 4.444 -5.504 9.618 1.00 0.00 H new ATOM 0 HG23 THR A 114 3.223 -6.369 8.655 1.00 0.00 H new ATOM 1778 N MET A 115 6.129 -2.779 6.668 1.00 0.00 N ATOM 1779 CA MET A 115 7.148 -2.014 5.971 1.00 0.00 C ATOM 1780 C MET A 115 8.109 -1.351 6.962 1.00 0.00 C ATOM 1781 O MET A 115 7.676 -0.727 7.929 1.00 0.00 O ATOM 1782 CB MET A 115 6.480 -0.938 5.111 1.00 0.00 C ATOM 1783 CG MET A 115 5.587 -0.033 5.961 1.00 0.00 C ATOM 1784 SD MET A 115 4.376 0.774 4.927 1.00 0.00 S ATOM 1785 CE MET A 115 5.438 1.396 3.634 1.00 0.00 C ATOM 0 H MET A 115 5.844 -2.391 7.567 1.00 0.00 H new ATOM 0 HA MET A 115 7.719 -2.695 5.339 1.00 0.00 H new ATOM 0 HB2 MET A 115 7.243 -0.339 4.614 1.00 0.00 H new ATOM 0 HB3 MET A 115 5.886 -1.410 4.328 1.00 0.00 H new ATOM 0 HG2 MET A 115 5.087 -0.621 6.730 1.00 0.00 H new ATOM 0 HG3 MET A 115 6.194 0.713 6.474 1.00 0.00 H new ATOM 0 HE1 MET A 115 5.103 2.389 3.335 1.00 0.00 H new ATOM 0 HE2 MET A 115 6.463 1.454 4.001 1.00 0.00 H new ATOM 0 HE3 MET A 115 5.397 0.725 2.776 1.00 0.00 H new ATOM 1795 N THR A 116 9.395 -1.509 6.685 1.00 0.00 N ATOM 1796 CA THR A 116 10.420 -0.935 7.539 1.00 0.00 C ATOM 1797 C THR A 116 11.179 0.166 6.795 1.00 0.00 C ATOM 1798 O THR A 116 11.749 -0.078 5.733 1.00 0.00 O ATOM 1799 CB THR A 116 11.321 -2.072 8.027 1.00 0.00 C ATOM 1800 OG1 THR A 116 12.467 -1.406 8.550 1.00 0.00 O ATOM 1801 CG2 THR A 116 11.873 -2.916 6.877 1.00 0.00 C ATOM 0 H THR A 116 9.750 -2.026 5.881 1.00 0.00 H new ATOM 0 HA THR A 116 9.982 -0.451 8.412 1.00 0.00 H new ATOM 0 HB THR A 116 10.761 -2.711 8.710 1.00 0.00 H new ATOM 0 HG1 THR A 116 13.104 -2.069 8.890 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.505 -3.708 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.046 -3.358 6.321 1.00 0.00 H new ATOM 0 HG23 THR A 116 12.461 -2.284 6.212 1.00 0.00 H new ATOM 1809 N LEU A 117 11.161 1.353 7.382 1.00 0.00 N ATOM 1810 CA LEU A 117 11.841 2.492 6.788 1.00 0.00 C ATOM 1811 C LEU A 117 12.643 3.222 7.867 1.00 0.00 C ATOM 1812 O LEU A 117 12.069 3.888 8.728 1.00 0.00 O ATOM 1813 CB LEU A 117 10.842 3.388 6.053 1.00 0.00 C ATOM 1814 CG LEU A 117 11.438 4.361 5.033 1.00 0.00 C ATOM 1815 CD1 LEU A 117 11.415 3.763 3.625 1.00 0.00 C ATOM 1816 CD2 LEU A 117 10.733 5.717 5.093 1.00 0.00 C ATOM 0 H LEU A 117 10.686 1.551 8.263 1.00 0.00 H new ATOM 0 HA LEU A 117 12.552 2.159 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 117 10.122 2.751 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 117 10.287 3.964 6.794 1.00 0.00 H new ATOM 0 HG LEU A 117 12.483 4.530 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 117 11.844 4.475 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 117 11.998 2.842 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 117 10.386 3.545 3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 117 11.175 6.390 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 117 9.673 5.586 4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 117 10.847 6.143 6.090 1.00 0.00 H new ATOM 1828 N GLY A 118 13.956 3.071 7.788 1.00 0.00 N ATOM 1829 CA GLY A 118 14.843 3.708 8.747 1.00 0.00 C ATOM 1830 C GLY A 118 15.061 2.813 9.969 1.00 0.00 C ATOM 1831 O GLY A 118 16.169 2.735 10.496 1.00 0.00 O ATOM 0 H GLY A 118 14.428 2.516 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 118 15.801 3.924 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 118 14.420 4.662 9.061 1.00 0.00 H new ATOM 1835 N ASP A 119 13.984 2.162 10.386 1.00 0.00 N ATOM 1836 CA ASP A 119 14.044 1.276 11.536 1.00 0.00 C ATOM 1837 C ASP A 119 12.642 1.118 12.125 1.00 0.00 C ATOM 1838 O ASP A 119 12.340 0.106 12.757 1.00 0.00 O ATOM 1839 CB ASP A 119 14.953 1.849 12.625 1.00 0.00 C ATOM 1840 CG ASP A 119 14.662 1.345 14.041 1.00 0.00 C ATOM 1841 OD1 ASP A 119 13.954 2.001 14.819 1.00 0.00 O ATOM 1842 OD2 ASP A 119 15.205 0.213 14.339 1.00 0.00 O ATOM 0 H ASP A 119 13.065 2.231 9.948 1.00 0.00 H new ATOM 0 HA ASP A 119 14.440 0.317 11.203 1.00 0.00 H new ATOM 0 HB2 ASP A 119 15.987 1.611 12.376 1.00 0.00 H new ATOM 0 HB3 ASP A 119 14.865 2.935 12.617 1.00 0.00 H new ATOM 1848 N ILE A 120 11.820 2.133 11.898 1.00 0.00 N ATOM 1849 CA ILE A 120 10.457 2.119 12.399 1.00 0.00 C ATOM 1850 C ILE A 120 9.556 1.398 11.394 1.00 0.00 C ATOM 1851 O ILE A 120 9.520 1.757 10.219 1.00 0.00 O ATOM 1852 CB ILE A 120 9.993 3.539 12.731 1.00 0.00 C ATOM 1853 CG1 ILE A 120 10.978 4.230 13.676 1.00 0.00 C ATOM 1854 CG2 ILE A 120 8.569 3.534 13.291 1.00 0.00 C ATOM 1855 CD1 ILE A 120 11.088 5.723 13.358 1.00 0.00 C ATOM 0 H ILE A 120 12.073 2.970 11.373 1.00 0.00 H new ATOM 0 HA ILE A 120 10.401 1.563 13.335 1.00 0.00 H new ATOM 0 HB ILE A 120 9.973 4.117 11.807 1.00 0.00 H new ATOM 0 HG12 ILE A 120 10.652 4.097 14.708 1.00 0.00 H new ATOM 0 HG13 ILE A 120 11.959 3.763 13.589 1.00 0.00 H new ATOM 0 HG21 ILE A 120 8.264 4.555 13.519 1.00 0.00 H new ATOM 0 HG22 ILE A 120 7.889 3.108 12.553 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.538 2.935 14.201 1.00 0.00 H new ATOM 0 HD11 ILE A 120 11.794 6.190 14.044 1.00 0.00 H new ATOM 0 HD12 ILE A 120 11.438 5.852 12.334 1.00 0.00 H new ATOM 0 HD13 ILE A 120 10.110 6.192 13.469 1.00 0.00 H new ATOM 1867 N VAL A 121 8.852 0.393 11.894 1.00 0.00 N ATOM 1868 CA VAL A 121 7.954 -0.382 11.054 1.00 0.00 C ATOM 1869 C VAL A 121 6.547 0.217 11.130 1.00 0.00 C ATOM 1870 O VAL A 121 6.016 0.425 12.220 1.00 0.00 O ATOM 1871 CB VAL A 121 7.999 -1.856 11.462 1.00 0.00 C ATOM 1872 CG1 VAL A 121 7.739 -2.019 12.960 1.00 0.00 C ATOM 1873 CG2 VAL A 121 7.008 -2.682 10.640 1.00 0.00 C ATOM 0 H VAL A 121 8.885 0.097 12.870 1.00 0.00 H new ATOM 0 HA VAL A 121 8.271 -0.337 10.012 1.00 0.00 H new ATOM 0 HB VAL A 121 9.001 -2.231 11.254 1.00 0.00 H new ATOM 0 HG11 VAL A 121 7.777 -3.076 13.223 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.500 -1.478 13.522 1.00 0.00 H new ATOM 0 HG13 VAL A 121 6.755 -1.619 13.204 1.00 0.00 H new ATOM 0 HG21 VAL A 121 7.060 -3.726 10.949 1.00 0.00 H new ATOM 0 HG22 VAL A 121 5.998 -2.305 10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.259 -2.604 9.582 1.00 0.00 H new ATOM 1883 N PHE A 122 5.986 0.477 9.959 1.00 0.00 N ATOM 1884 CA PHE A 122 4.652 1.047 9.879 1.00 0.00 C ATOM 1885 C PHE A 122 3.618 -0.025 9.526 1.00 0.00 C ATOM 1886 O PHE A 122 3.827 -0.814 8.606 1.00 0.00 O ATOM 1887 CB PHE A 122 4.681 2.098 8.767 1.00 0.00 C ATOM 1888 CG PHE A 122 3.298 2.480 8.235 1.00 0.00 C ATOM 1889 CD1 PHE A 122 2.618 1.620 7.431 1.00 0.00 C ATOM 1890 CD2 PHE A 122 2.749 3.678 8.568 1.00 0.00 C ATOM 1891 CE1 PHE A 122 1.334 1.973 6.938 1.00 0.00 C ATOM 1892 CE2 PHE A 122 1.466 4.032 8.074 1.00 0.00 C ATOM 1893 CZ PHE A 122 0.785 3.173 7.270 1.00 0.00 C ATOM 0 H PHE A 122 6.431 0.304 9.058 1.00 0.00 H new ATOM 0 HA PHE A 122 4.373 1.479 10.840 1.00 0.00 H new ATOM 0 HB2 PHE A 122 5.175 2.994 9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 122 5.285 1.722 7.941 1.00 0.00 H new ATOM 0 HD1 PHE A 122 3.055 0.668 7.167 1.00 0.00 H new ATOM 0 HD2 PHE A 122 3.289 4.360 9.208 1.00 0.00 H new ATOM 0 HE1 PHE A 122 0.794 1.290 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 122 1.031 4.985 8.337 1.00 0.00 H new ATOM 0 HZ PHE A 122 -0.191 3.443 6.895 1.00 0.00 H new ATOM 1903 N LYS A 123 2.526 -0.017 10.276 1.00 0.00 N ATOM 1904 CA LYS A 123 1.459 -0.978 10.053 1.00 0.00 C ATOM 1905 C LYS A 123 0.110 -0.255 10.101 1.00 0.00 C ATOM 1906 O LYS A 123 -0.104 0.611 10.947 1.00 0.00 O ATOM 1907 CB LYS A 123 1.570 -2.140 11.042 1.00 0.00 C ATOM 1908 CG LYS A 123 1.360 -1.660 12.479 1.00 0.00 C ATOM 1909 CD LYS A 123 0.339 -2.537 13.205 1.00 0.00 C ATOM 1910 CE LYS A 123 0.996 -3.308 14.352 1.00 0.00 C ATOM 1911 NZ LYS A 123 -0.026 -3.769 15.319 1.00 0.00 N ATOM 0 H LYS A 123 2.357 0.639 11.038 1.00 0.00 H new ATOM 0 HA LYS A 123 1.547 -1.424 9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 123 0.830 -2.902 10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 123 2.551 -2.607 10.951 1.00 0.00 H new ATOM 0 HG2 LYS A 123 2.309 -1.680 13.015 1.00 0.00 H new ATOM 0 HG3 LYS A 123 1.018 -0.625 12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -0.468 -1.916 13.595 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -0.110 -3.238 12.501 1.00 0.00 H new ATOM 0 HE2 LYS A 123 1.543 -4.164 13.956 1.00 0.00 H new ATOM 0 HE3 LYS A 123 1.722 -2.671 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 0.437 -4.290 16.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.530 -2.947 15.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -0.703 -4.394 14.837 1.00 0.00 H new ATOM 1924 N ARG A 124 -0.764 -0.641 9.184 1.00 0.00 N ATOM 1925 CA ARG A 124 -2.085 -0.041 9.111 1.00 0.00 C ATOM 1926 C ARG A 124 -3.161 -1.130 9.088 1.00 0.00 C ATOM 1927 O ARG A 124 -3.011 -2.142 8.405 1.00 0.00 O ATOM 1928 CB ARG A 124 -2.227 0.831 7.862 1.00 0.00 C ATOM 1929 CG ARG A 124 -1.874 0.042 6.599 1.00 0.00 C ATOM 1930 CD ARG A 124 -2.596 0.612 5.377 1.00 0.00 C ATOM 1931 NE ARG A 124 -1.611 1.147 4.410 1.00 0.00 N ATOM 1932 CZ ARG A 124 -0.982 0.399 3.479 1.00 0.00 C ATOM 1933 NH1 ARG A 124 -1.231 -0.924 3.379 1.00 0.00 N ATOM 1934 NH2 ARG A 124 -0.120 0.981 2.666 1.00 0.00 N ATOM 0 H ARG A 124 -0.583 -1.362 8.485 1.00 0.00 H new ATOM 0 HA ARG A 124 -2.214 0.585 9.994 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -3.249 1.204 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.576 1.701 7.946 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -0.797 0.072 6.436 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.147 -1.005 6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.197 -0.165 4.904 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.281 1.402 5.685 1.00 0.00 H new ATOM 0 HE ARG A 124 -1.394 2.143 4.450 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.899 -1.366 4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -0.751 -1.481 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 124 0.062 1.981 2.747 1.00 0.00 H new ATOM 0 HH22 ARG A 124 0.364 0.430 1.957 1.00 0.00 H new ATOM 1947 N ILE A 125 -4.222 -0.884 9.845 1.00 0.00 N ATOM 1948 CA ILE A 125 -5.322 -1.830 9.920 1.00 0.00 C ATOM 1949 C ILE A 125 -6.447 -1.373 8.990 1.00 0.00 C ATOM 1950 O ILE A 125 -7.002 -0.290 9.169 1.00 0.00 O ATOM 1951 CB ILE A 125 -5.763 -2.023 11.372 1.00 0.00 C ATOM 1952 CG1 ILE A 125 -4.624 -2.591 12.221 1.00 0.00 C ATOM 1953 CG2 ILE A 125 -7.023 -2.887 11.452 1.00 0.00 C ATOM 1954 CD1 ILE A 125 -4.735 -2.121 13.673 1.00 0.00 C ATOM 0 H ILE A 125 -4.342 -0.044 10.411 1.00 0.00 H new ATOM 0 HA ILE A 125 -5.004 -2.814 9.574 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.015 -1.046 11.785 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.647 -3.680 12.185 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -3.666 -2.278 11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.315 -3.009 12.495 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.831 -2.404 10.903 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.822 -3.865 11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -3.913 -2.539 14.255 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -4.687 -1.033 13.708 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -5.684 -2.456 14.092 1.00 0.00 H new ATOM 1966 N SER A 126 -6.751 -2.221 8.019 1.00 0.00 N ATOM 1967 CA SER A 126 -7.800 -1.917 7.061 1.00 0.00 C ATOM 1968 C SER A 126 -8.796 -3.076 6.990 1.00 0.00 C ATOM 1969 O SER A 126 -8.417 -4.207 6.687 1.00 0.00 O ATOM 1970 CB SER A 126 -7.216 -1.633 5.675 1.00 0.00 C ATOM 1971 OG SER A 126 -6.277 -0.561 5.701 1.00 0.00 O ATOM 0 H SER A 126 -6.289 -3.119 7.875 1.00 0.00 H new ATOM 0 HA SER A 126 -8.320 -1.020 7.397 1.00 0.00 H new ATOM 0 HB2 SER A 126 -6.730 -2.532 5.295 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.023 -1.391 4.984 1.00 0.00 H new ATOM 0 HG SER A 126 -6.420 0.018 4.923 1.00 0.00 H new ATOM 1977 N LYS A 127 -10.050 -2.756 7.273 1.00 0.00 N ATOM 1978 CA LYS A 127 -11.102 -3.757 7.246 1.00 0.00 C ATOM 1979 C LYS A 127 -12.033 -3.479 6.064 1.00 0.00 C ATOM 1980 O LYS A 127 -12.133 -2.344 5.601 1.00 0.00 O ATOM 1981 CB LYS A 127 -11.822 -3.816 8.595 1.00 0.00 C ATOM 1982 CG LYS A 127 -12.888 -2.722 8.695 1.00 0.00 C ATOM 1983 CD LYS A 127 -14.289 -3.303 8.497 1.00 0.00 C ATOM 1984 CE LYS A 127 -14.907 -3.714 9.836 1.00 0.00 C ATOM 1985 NZ LYS A 127 -15.443 -2.531 10.544 1.00 0.00 N ATOM 0 H LYS A 127 -10.361 -1.817 7.522 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.679 -4.750 7.094 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -12.286 -4.794 8.721 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.099 -3.700 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -12.826 -2.237 9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -12.699 -1.955 7.944 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -14.927 -2.566 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -14.238 -4.168 7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -15.705 -4.437 9.668 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -14.156 -4.206 10.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -15.545 -2.749 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -14.790 -1.730 10.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -16.372 -2.281 10.149 1.00 0.00 H new ATOM 1998 N ARG A 128 -12.692 -4.534 5.609 1.00 0.00 N ATOM 1999 CA ARG A 128 -13.612 -4.418 4.490 1.00 0.00 C ATOM 2000 C ARG A 128 -14.831 -3.585 4.889 1.00 0.00 C ATOM 2001 O ARG A 128 -15.407 -3.794 5.955 1.00 0.00 O ATOM 2002 CB ARG A 128 -14.077 -5.796 4.015 1.00 0.00 C ATOM 2003 CG ARG A 128 -14.318 -5.802 2.504 1.00 0.00 C ATOM 2004 CD ARG A 128 -14.246 -7.225 1.944 1.00 0.00 C ATOM 2005 NE ARG A 128 -14.072 -7.181 0.474 1.00 0.00 N ATOM 2006 CZ ARG A 128 -12.949 -6.753 -0.142 1.00 0.00 C ATOM 2007 NH1 ARG A 128 -11.891 -6.329 0.579 1.00 0.00 N ATOM 2008 NH2 ARG A 128 -12.903 -6.758 -1.462 1.00 0.00 N ATOM 0 H ARG A 128 -12.607 -5.474 5.995 1.00 0.00 H new ATOM 0 HA ARG A 128 -13.083 -3.925 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -13.327 -6.545 4.270 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -14.994 -6.073 4.534 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -15.295 -5.370 2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -13.575 -5.175 2.011 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -13.416 -7.763 2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -15.156 -7.770 2.195 1.00 0.00 H new ATOM 0 HE ARG A 128 -14.848 -7.493 -0.109 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -11.935 -6.330 1.598 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -11.047 -6.007 0.105 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -13.707 -7.082 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -12.063 -6.438 -1.944 1.00 0.00 H new ATOM 2021 N ILE A 129 -15.187 -2.659 4.011 1.00 0.00 N ATOM 2022 CA ILE A 129 -16.327 -1.793 4.260 1.00 0.00 C ATOM 2023 C ILE A 129 -17.520 -2.642 4.705 1.00 0.00 C ATOM 2024 O ILE A 129 -17.960 -2.548 5.850 1.00 0.00 O ATOM 2025 CB ILE A 129 -16.616 -0.923 3.034 1.00 0.00 C ATOM 2026 CG1 ILE A 129 -17.354 -1.721 1.957 1.00 0.00 C ATOM 2027 CG2 ILE A 129 -15.331 -0.288 2.499 1.00 0.00 C ATOM 2028 CD1 ILE A 129 -16.605 -3.012 1.621 1.00 0.00 C ATOM 0 H ILE A 129 -14.707 -2.490 3.127 1.00 0.00 H new ATOM 0 HA ILE A 129 -16.108 -1.099 5.072 1.00 0.00 H new ATOM 0 HB ILE A 129 -17.275 -0.110 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -18.360 -1.959 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -17.460 -1.114 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -15.563 0.325 1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -14.884 0.336 3.273 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -14.629 -1.072 2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -17.151 -3.560 0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -15.608 -2.769 1.254 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -16.522 -3.628 2.516 1.00 0.00 H new