USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 651 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: X 64 GLN :FLIP amide:sc= -8.16! C(o=-15!,f=-11!) USER MOD Set 1.2: X 68 ASN :FLIP amide:sc= -3.03 F(o=-15!,f=-11) USER MOD Set 2.1: X 8 HIS : no HD1:sc= -0.79! C(o=-1.1!,f=-13!) USER MOD Set 2.2: X 39 LYS NZ :NH3+ -111:sc= -0.295! (180deg=0) USER MOD Single : X 6 SER OG : rot 180:sc= -0.451 USER MOD Single : X 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : X 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 17 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -20:sc= 0.852 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ -163:sc= -0.0103 (180deg=-0.345) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 84:sc= 1.12 USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 69 THR OG1 : rot 84:sc= 0.442 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= 0 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= -1.94! USER MOD Single : X 84 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.730 0.601 -10.242 1.00 1.00 N ATOM 79 CA SER X 6 69.143 1.931 -9.805 1.00 1.00 C ATOM 80 C SER X 6 70.624 2.149 -10.101 1.00 1.00 C ATOM 81 O SER X 6 71.363 1.199 -10.355 1.00 1.00 O ATOM 82 CB SER X 6 68.896 2.092 -8.306 1.00 1.00 C ATOM 83 OG SER X 6 69.546 1.039 -7.610 1.00 1.00 O ATOM 0 HA SER X 6 68.556 2.671 -10.349 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.273 3.056 -7.965 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.826 2.076 -8.098 1.00 1.00 H new ATOM 0 HG SER X 6 69.391 1.139 -6.647 1.00 1.00 H new ATOM 89 N GLN X 7 71.047 3.409 -10.068 1.00 1.00 N ATOM 90 CA GLN X 7 72.443 3.744 -10.334 1.00 1.00 C ATOM 91 C GLN X 7 73.367 3.113 -9.300 1.00 1.00 C ATOM 92 O GLN X 7 74.468 2.668 -9.627 1.00 1.00 O ATOM 93 CB GLN X 7 72.631 5.264 -10.323 1.00 1.00 C ATOM 94 CG GLN X 7 72.031 5.868 -11.592 1.00 1.00 C ATOM 95 CD GLN X 7 72.169 7.388 -11.564 1.00 1.00 C ATOM 96 OE1 GLN X 7 71.525 8.057 -10.757 1.00 1.00 O ATOM 97 NE2 GLN X 7 72.979 7.973 -12.402 1.00 1.00 N ATOM 0 H GLN X 7 70.449 4.209 -9.862 1.00 1.00 H new ATOM 0 HA GLN X 7 72.700 3.349 -11.317 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.151 5.693 -9.443 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.691 5.508 -10.259 1.00 1.00 H new ATOM 0 HG2 GLN X 7 72.536 5.465 -12.470 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.980 5.592 -11.674 1.00 1.00 H new ATOM 0 HE21 GLN X 7 73.512 7.416 -13.070 1.00 1.00 H new ATOM 0 HE22 GLN X 7 73.080 8.988 -12.390 1.00 1.00 H new ATOM 106 N HIS X 8 72.917 3.078 -8.052 1.00 1.00 N ATOM 107 CA HIS X 8 73.717 2.502 -6.979 1.00 1.00 C ATOM 108 C HIS X 8 73.995 1.027 -7.252 1.00 1.00 C ATOM 109 O HIS X 8 75.101 0.537 -7.025 1.00 1.00 O ATOM 110 CB HIS X 8 72.985 2.655 -5.643 1.00 1.00 C ATOM 111 CG HIS X 8 72.914 4.112 -5.273 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.030 4.828 -4.871 1.00 1.00 N ATOM 113 CD2 HIS X 8 71.867 5.001 -5.235 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.635 6.088 -4.612 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.325 6.247 -4.818 1.00 1.00 N ATOM 0 H HIS X 8 72.009 3.439 -7.759 1.00 1.00 H new ATOM 0 HA HIS X 8 74.668 3.033 -6.931 1.00 1.00 H new ATOM 0 HB2 HIS X 8 71.980 2.238 -5.717 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.505 2.096 -4.865 1.00 1.00 H new ATOM 0 HD2 HIS X 8 70.844 4.768 -5.490 1.00 1.00 H new ATOM 0 HE1 HIS X 8 74.296 6.874 -4.278 1.00 1.00 H new ATOM 0 HE2 HIS X 8 71.778 7.099 -4.696 1.00 1.00 H new ATOM 123 N GLU X 9 72.983 0.323 -7.745 1.00 1.00 N ATOM 124 CA GLU X 9 73.133 -1.093 -8.049 1.00 1.00 C ATOM 125 C GLU X 9 74.120 -1.304 -9.194 1.00 1.00 C ATOM 126 O GLU X 9 75.056 -2.094 -9.079 1.00 1.00 O ATOM 127 CB GLU X 9 71.776 -1.681 -8.426 1.00 1.00 C ATOM 128 CG GLU X 9 70.884 -1.749 -7.186 1.00 1.00 C ATOM 129 CD GLU X 9 69.511 -2.294 -7.563 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.343 -2.676 -8.709 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.651 -2.332 -6.698 1.00 1.00 O ATOM 0 H GLU X 9 72.058 0.706 -7.941 1.00 1.00 H new ATOM 0 HA GLU X 9 73.521 -1.597 -7.164 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.303 -1.068 -9.193 1.00 1.00 H new ATOM 0 HB3 GLU X 9 71.905 -2.677 -8.849 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.344 -2.387 -6.431 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.783 -0.757 -6.746 1.00 1.00 H new ATOM 138 N ARG X 10 73.906 -0.592 -10.295 1.00 1.00 N ATOM 139 CA ARG X 10 74.785 -0.707 -11.450 1.00 1.00 C ATOM 140 C ARG X 10 76.207 -0.297 -11.081 1.00 1.00 C ATOM 141 O ARG X 10 77.177 -0.823 -11.628 1.00 1.00 O ATOM 142 CB ARG X 10 74.273 0.181 -12.586 1.00 1.00 C ATOM 143 CG ARG X 10 72.947 -0.375 -13.104 1.00 1.00 C ATOM 144 CD ARG X 10 72.427 0.514 -14.236 1.00 1.00 C ATOM 145 NE ARG X 10 72.069 1.828 -13.715 1.00 1.00 N ATOM 146 CZ ARG X 10 71.631 2.793 -14.517 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.506 2.571 -15.797 1.00 1.00 N ATOM 148 NH2 ARG X 10 71.326 3.962 -14.025 1.00 1.00 N ATOM 0 H ARG X 10 73.136 0.067 -10.411 1.00 1.00 H new ATOM 0 HA ARG X 10 74.792 -1.746 -11.778 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.138 1.203 -12.232 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.005 0.217 -13.393 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.084 -1.395 -13.462 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.217 -0.416 -12.295 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.189 0.616 -15.009 1.00 1.00 H new ATOM 0 HD3 ARG X 10 71.558 0.050 -14.704 1.00 1.00 H new ATOM 0 HE ARG X 10 72.156 2.010 -12.715 1.00 1.00 H new ATOM 0 HH11 ARG X 10 71.744 1.657 -16.182 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.170 3.312 -16.413 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.424 4.136 -13.025 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.990 4.703 -14.641 1.00 1.00 H new ATOM 162 N TYR X 11 76.323 0.651 -10.156 1.00 1.00 N ATOM 163 CA TYR X 11 77.633 1.132 -9.730 1.00 1.00 C ATOM 164 C TYR X 11 78.462 -0.020 -9.169 1.00 1.00 C ATOM 165 O TYR X 11 79.626 -0.196 -9.530 1.00 1.00 O ATOM 166 CB TYR X 11 77.465 2.213 -8.659 1.00 1.00 C ATOM 167 CG TYR X 11 78.821 2.647 -8.162 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.636 3.441 -8.978 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.267 2.260 -6.893 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.897 3.849 -8.523 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.527 2.666 -6.439 1.00 1.00 C ATOM 172 CZ TYR X 11 81.343 3.460 -7.255 1.00 1.00 C ATOM 173 OH TYR X 11 82.585 3.860 -6.807 1.00 1.00 O ATOM 0 H TYR X 11 75.533 1.098 -9.690 1.00 1.00 H new ATOM 0 HA TYR X 11 78.150 1.553 -10.593 1.00 1.00 H new ATOM 0 HB2 TYR X 11 76.927 3.067 -9.071 1.00 1.00 H new ATOM 0 HB3 TYR X 11 76.869 1.830 -7.831 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.293 3.739 -9.958 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.638 1.648 -6.264 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.525 4.464 -9.151 1.00 1.00 H new ATOM 0 HE2 TYR X 11 80.870 2.367 -5.460 1.00 1.00 H new ATOM 0 HH TYR X 11 82.738 3.504 -5.907 1.00 1.00 H new ATOM 183 N VAL X 12 77.850 -0.806 -8.291 1.00 1.00 N ATOM 184 CA VAL X 12 78.540 -1.945 -7.692 1.00 1.00 C ATOM 185 C VAL X 12 78.934 -2.945 -8.765 1.00 1.00 C ATOM 186 O VAL X 12 80.063 -3.427 -8.791 1.00 1.00 O ATOM 187 CB VAL X 12 77.639 -2.632 -6.653 1.00 1.00 C ATOM 188 CG1 VAL X 12 77.940 -4.136 -6.583 1.00 1.00 C ATOM 189 CG2 VAL X 12 77.905 -2.018 -5.281 1.00 1.00 C ATOM 0 H VAL X 12 76.887 -0.679 -7.980 1.00 1.00 H new ATOM 0 HA VAL X 12 79.439 -1.579 -7.196 1.00 1.00 H new ATOM 0 HB VAL X 12 76.599 -2.490 -6.945 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.291 -4.603 -5.842 1.00 1.00 H new ATOM 0 HG12 VAL X 12 77.761 -4.589 -7.558 1.00 1.00 H new ATOM 0 HG13 VAL X 12 78.982 -4.286 -6.299 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.270 -2.500 -4.538 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.952 -2.164 -5.014 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.684 -0.951 -5.311 1.00 1.00 H new ATOM 199 N GLU X 13 77.989 -3.260 -9.640 1.00 1.00 N ATOM 200 CA GLU X 13 78.243 -4.219 -10.706 1.00 1.00 C ATOM 201 C GLU X 13 79.557 -3.899 -11.407 1.00 1.00 C ATOM 202 O GLU X 13 80.328 -4.798 -11.740 1.00 1.00 O ATOM 203 CB GLU X 13 77.100 -4.183 -11.724 1.00 1.00 C ATOM 204 CG GLU X 13 75.822 -4.726 -11.080 1.00 1.00 C ATOM 205 CD GLU X 13 74.652 -4.592 -12.049 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.872 -4.117 -13.151 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.553 -4.965 -11.674 1.00 1.00 O ATOM 0 H GLU X 13 77.047 -2.869 -9.634 1.00 1.00 H new ATOM 0 HA GLU X 13 78.308 -5.215 -10.267 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.940 -3.162 -12.070 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.360 -4.779 -12.599 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.959 -5.772 -10.805 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.608 -4.181 -10.161 1.00 1.00 H new ATOM 214 N GLN X 14 79.811 -2.614 -11.621 1.00 1.00 N ATOM 215 CA GLN X 14 81.043 -2.197 -12.279 1.00 1.00 C ATOM 216 C GLN X 14 82.252 -2.534 -11.420 1.00 1.00 C ATOM 217 O GLN X 14 83.238 -3.089 -11.907 1.00 1.00 O ATOM 218 CB GLN X 14 81.016 -0.691 -12.545 1.00 1.00 C ATOM 219 CG GLN X 14 80.025 -0.383 -13.668 1.00 1.00 C ATOM 220 CD GLN X 14 79.961 1.122 -13.909 1.00 1.00 C ATOM 221 OE1 GLN X 14 79.544 1.879 -13.032 1.00 1.00 O ATOM 222 NE2 GLN X 14 80.356 1.604 -15.056 1.00 1.00 N ATOM 0 H GLN X 14 79.189 -1.851 -11.353 1.00 1.00 H new ATOM 0 HA GLN X 14 81.119 -2.733 -13.225 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.731 -0.157 -11.639 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.012 -0.343 -12.820 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.328 -0.893 -14.582 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.037 -0.760 -13.405 1.00 1.00 H new ATOM 0 HE21 GLN X 14 80.701 0.976 -15.782 1.00 1.00 H new ATOM 0 HE22 GLN X 14 80.319 2.609 -15.227 1.00 1.00 H new ATOM 231 N LEU X 15 82.165 -2.205 -10.140 1.00 1.00 N ATOM 232 CA LEU X 15 83.254 -2.487 -9.223 1.00 1.00 C ATOM 233 C LEU X 15 83.486 -3.982 -9.121 1.00 1.00 C ATOM 234 O LEU X 15 84.618 -4.430 -9.055 1.00 1.00 O ATOM 235 CB LEU X 15 82.942 -1.938 -7.835 1.00 1.00 C ATOM 236 CG LEU X 15 82.979 -0.404 -7.861 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.438 0.145 -6.541 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.421 0.093 -8.041 1.00 1.00 C ATOM 0 H LEU X 15 81.358 -1.746 -9.717 1.00 1.00 H new ATOM 0 HA LEU X 15 84.151 -2.004 -9.610 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.960 -2.282 -7.511 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.666 -2.316 -7.113 1.00 1.00 H new ATOM 0 HG LEU X 15 82.367 -0.058 -8.694 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.465 1.234 -6.562 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.410 -0.190 -6.402 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.052 -0.218 -5.717 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.431 1.183 -8.058 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.035 -0.263 -7.213 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.823 -0.288 -8.980 1.00 1.00 H new ATOM 250 N LYS X 16 82.409 -4.754 -9.101 1.00 1.00 N ATOM 251 CA LYS X 16 82.531 -6.194 -8.988 1.00 1.00 C ATOM 252 C LYS X 16 83.371 -6.764 -10.124 1.00 1.00 C ATOM 253 O LYS X 16 84.230 -7.610 -9.895 1.00 1.00 O ATOM 254 CB LYS X 16 81.146 -6.826 -9.034 1.00 1.00 C ATOM 255 CG LYS X 16 81.205 -8.234 -8.445 1.00 1.00 C ATOM 256 CD LYS X 16 80.168 -9.113 -9.144 1.00 1.00 C ATOM 257 CE LYS X 16 80.059 -10.456 -8.415 1.00 1.00 C ATOM 258 NZ LYS X 16 79.200 -11.387 -9.201 1.00 1.00 N ATOM 0 H LYS X 16 81.451 -4.409 -9.161 1.00 1.00 H new ATOM 0 HA LYS X 16 83.021 -6.421 -8.041 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.438 -6.216 -8.473 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.788 -6.866 -10.063 1.00 1.00 H new ATOM 0 HG2 LYS X 16 82.202 -8.654 -8.574 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.009 -8.202 -7.373 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.199 -8.613 -9.153 1.00 1.00 H new ATOM 0 HD3 LYS X 16 80.454 -9.274 -10.183 1.00 1.00 H new ATOM 0 HE2 LYS X 16 81.050 -10.888 -8.279 1.00 1.00 H new ATOM 0 HE3 LYS X 16 79.637 -10.308 -7.421 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.128 -12.297 -8.703 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 78.251 -10.976 -9.309 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 79.621 -11.538 -10.140 1.00 1.00 H new ATOM 272 N GLN X 17 83.119 -6.313 -11.347 1.00 1.00 N ATOM 273 CA GLN X 17 83.868 -6.821 -12.494 1.00 1.00 C ATOM 274 C GLN X 17 85.346 -6.440 -12.413 1.00 1.00 C ATOM 275 O GLN X 17 86.232 -7.294 -12.515 1.00 1.00 O ATOM 276 CB GLN X 17 83.268 -6.266 -13.783 1.00 1.00 C ATOM 277 CG GLN X 17 81.857 -6.821 -13.955 1.00 1.00 C ATOM 278 CD GLN X 17 81.283 -6.382 -15.299 1.00 1.00 C ATOM 279 OE1 GLN X 17 81.921 -6.565 -16.336 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.115 -5.802 -15.342 1.00 1.00 N ATOM 0 H GLN X 17 82.415 -5.609 -11.570 1.00 1.00 H new ATOM 0 HA GLN X 17 83.799 -7.909 -12.487 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.242 -5.177 -13.748 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.888 -6.543 -14.636 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.876 -7.909 -13.896 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.218 -6.469 -13.145 1.00 1.00 H new ATOM 0 HE21 GLN X 17 79.588 -5.652 -14.482 1.00 1.00 H new ATOM 0 HE22 GLN X 17 79.729 -5.499 -16.236 1.00 1.00 H new ATOM 289 N ALA X 18 85.602 -5.152 -12.238 1.00 1.00 N ATOM 290 CA ALA X 18 86.976 -4.659 -12.160 1.00 1.00 C ATOM 291 C ALA X 18 87.710 -5.257 -10.963 1.00 1.00 C ATOM 292 O ALA X 18 88.851 -5.701 -11.080 1.00 1.00 O ATOM 293 CB ALA X 18 86.974 -3.134 -12.050 1.00 1.00 C ATOM 0 H ALA X 18 84.885 -4.432 -12.148 1.00 1.00 H new ATOM 0 HA ALA X 18 87.497 -4.963 -13.068 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.001 -2.772 -11.992 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.487 -2.707 -12.927 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.433 -2.835 -11.153 1.00 1.00 H new ATOM 299 N LEU X 19 87.047 -5.261 -9.813 1.00 1.00 N ATOM 300 CA LEU X 19 87.640 -5.798 -8.595 1.00 1.00 C ATOM 301 C LEU X 19 87.919 -7.292 -8.729 1.00 1.00 C ATOM 302 O LEU X 19 88.948 -7.782 -8.261 1.00 1.00 O ATOM 303 CB LEU X 19 86.705 -5.544 -7.407 1.00 1.00 C ATOM 304 CG LEU X 19 86.654 -4.053 -7.075 1.00 1.00 C ATOM 305 CD1 LEU X 19 85.532 -3.841 -6.065 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.986 -3.562 -6.482 1.00 1.00 C ATOM 0 H LEU X 19 86.100 -4.899 -9.698 1.00 1.00 H new ATOM 0 HA LEU X 19 88.590 -5.291 -8.426 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.703 -5.905 -7.641 1.00 1.00 H new ATOM 0 HB3 LEU X 19 87.051 -6.104 -6.538 1.00 1.00 H new ATOM 0 HG LEU X 19 86.475 -3.485 -7.988 1.00 1.00 H new ATOM 0 HD11 LEU X 19 85.470 -2.784 -5.807 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.586 -4.165 -6.499 1.00 1.00 H new ATOM 0 HD13 LEU X 19 85.737 -4.422 -5.166 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.914 -2.498 -6.258 1.00 1.00 H new ATOM 0 HD22 LEU X 19 88.201 -4.112 -5.566 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.788 -3.728 -7.202 1.00 1.00 H new ATOM 318 N LYS X 20 87.003 -8.014 -9.359 1.00 1.00 N ATOM 319 CA LYS X 20 87.170 -9.452 -9.536 1.00 1.00 C ATOM 320 C LYS X 20 88.462 -9.762 -10.279 1.00 1.00 C ATOM 321 O LYS X 20 89.125 -10.760 -9.997 1.00 1.00 O ATOM 322 CB LYS X 20 85.981 -10.020 -10.308 1.00 1.00 C ATOM 323 CG LYS X 20 86.098 -11.541 -10.383 1.00 1.00 C ATOM 324 CD LYS X 20 84.868 -12.103 -11.095 1.00 1.00 C ATOM 325 CE LYS X 20 84.968 -13.625 -11.155 1.00 1.00 C ATOM 326 NZ LYS X 20 83.745 -14.180 -11.802 1.00 1.00 N ATOM 0 H LYS X 20 86.143 -7.633 -9.754 1.00 1.00 H new ATOM 0 HA LYS X 20 87.220 -9.916 -8.551 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.049 -9.741 -9.817 1.00 1.00 H new ATOM 0 HB3 LYS X 20 85.951 -9.598 -11.312 1.00 1.00 H new ATOM 0 HG2 LYS X 20 87.004 -11.822 -10.919 1.00 1.00 H new ATOM 0 HG3 LYS X 20 86.177 -11.962 -9.381 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.962 -11.808 -10.566 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.798 -11.692 -12.102 1.00 1.00 H new ATOM 0 HE2 LYS X 20 85.855 -13.920 -11.716 1.00 1.00 H new ATOM 0 HE3 LYS X 20 85.077 -14.033 -10.150 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 83.814 -15.217 -11.843 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 82.907 -13.910 -11.249 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 83.660 -13.801 -12.767 1.00 1.00 H new ATOM 340 N THR X 21 88.817 -8.911 -11.230 1.00 1.00 N ATOM 341 CA THR X 21 90.037 -9.123 -12.002 1.00 1.00 C ATOM 342 C THR X 21 91.273 -8.821 -11.157 1.00 1.00 C ATOM 343 O THR X 21 92.393 -9.162 -11.539 1.00 1.00 O ATOM 344 CB THR X 21 90.025 -8.230 -13.241 1.00 1.00 C ATOM 345 OG1 THR X 21 90.003 -6.867 -12.842 1.00 1.00 O ATOM 346 CG2 THR X 21 88.782 -8.544 -14.073 1.00 1.00 C ATOM 0 H THR X 21 88.287 -8.077 -11.485 1.00 1.00 H new ATOM 0 HA THR X 21 90.076 -10.169 -12.308 1.00 1.00 H new ATOM 0 HB THR X 21 90.919 -8.414 -13.837 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.688 -6.802 -11.916 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.768 -7.910 -14.959 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.802 -9.591 -14.376 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.889 -8.356 -13.478 1.00 1.00 H new ATOM 354 N ARG X 22 91.069 -8.176 -10.012 1.00 1.00 N ATOM 355 CA ARG X 22 92.184 -7.836 -9.133 1.00 1.00 C ATOM 356 C ARG X 22 92.413 -8.926 -8.095 1.00 1.00 C ATOM 357 O ARG X 22 93.409 -8.900 -7.374 1.00 1.00 O ATOM 358 CB ARG X 22 91.911 -6.513 -8.425 1.00 1.00 C ATOM 359 CG ARG X 22 91.752 -5.402 -9.462 1.00 1.00 C ATOM 360 CD ARG X 22 92.334 -4.104 -8.905 1.00 1.00 C ATOM 361 NE ARG X 22 93.755 -4.272 -8.616 1.00 1.00 N ATOM 362 CZ ARG X 22 94.642 -4.429 -9.594 1.00 1.00 C ATOM 363 NH1 ARG X 22 94.247 -4.428 -10.839 1.00 1.00 N ATOM 364 NH2 ARG X 22 95.906 -4.584 -9.311 1.00 1.00 N ATOM 0 H ARG X 22 90.153 -7.881 -9.674 1.00 1.00 H new ATOM 0 HA ARG X 22 93.079 -7.744 -9.748 1.00 1.00 H new ATOM 0 HB2 ARG X 22 91.008 -6.592 -7.820 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.730 -6.276 -7.746 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.262 -5.676 -10.386 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.699 -5.266 -9.707 1.00 1.00 H new ATOM 0 HD2 ARG X 22 92.195 -3.296 -9.624 1.00 1.00 H new ATOM 0 HD3 ARG X 22 91.802 -3.818 -7.997 1.00 1.00 H new ATOM 0 HE ARG X 22 94.073 -4.269 -7.647 1.00 1.00 H new ATOM 0 HH11 ARG X 22 93.259 -4.307 -11.060 1.00 1.00 H new ATOM 0 HH12 ARG X 22 94.927 -4.548 -11.590 1.00 1.00 H new ATOM 0 HH21 ARG X 22 96.215 -4.585 -8.339 1.00 1.00 H new ATOM 0 HH22 ARG X 22 96.586 -4.704 -10.062 1.00 1.00 H new ATOM 378 N GLY X 23 91.492 -9.880 -8.025 1.00 1.00 N ATOM 379 CA GLY X 23 91.605 -10.972 -7.064 1.00 1.00 C ATOM 380 C GLY X 23 90.555 -10.861 -5.969 1.00 1.00 C ATOM 381 O GLY X 23 90.717 -11.419 -4.884 1.00 1.00 O ATOM 0 H GLY X 23 90.663 -9.920 -8.618 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.494 -11.926 -7.580 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.600 -10.964 -6.618 1.00 1.00 H new ATOM 385 N VAL X 24 89.478 -10.140 -6.255 1.00 1.00 N ATOM 386 CA VAL X 24 88.414 -9.970 -5.277 1.00 1.00 C ATOM 387 C VAL X 24 87.263 -10.935 -5.545 1.00 1.00 C ATOM 388 O VAL X 24 86.548 -10.803 -6.537 1.00 1.00 O ATOM 389 CB VAL X 24 87.898 -8.539 -5.342 1.00 1.00 C ATOM 390 CG1 VAL X 24 86.800 -8.336 -4.294 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.058 -7.578 -5.076 1.00 1.00 C ATOM 0 H VAL X 24 89.320 -9.669 -7.146 1.00 1.00 H new ATOM 0 HA VAL X 24 88.817 -10.182 -4.287 1.00 1.00 H new ATOM 0 HB VAL X 24 87.481 -8.343 -6.330 1.00 1.00 H new ATOM 0 HG11 VAL X 24 86.434 -7.311 -4.344 1.00 1.00 H new ATOM 0 HG12 VAL X 24 85.978 -9.025 -4.490 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.205 -8.528 -3.301 1.00 1.00 H new ATOM 0 HG21 VAL X 24 88.697 -6.551 -5.121 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.473 -7.774 -4.087 1.00 1.00 H new ATOM 0 HG23 VAL X 24 89.832 -7.724 -5.830 1.00 1.00 H new ATOM 401 N LYS X 25 87.080 -11.895 -4.645 1.00 1.00 N ATOM 402 CA LYS X 25 86.000 -12.867 -4.787 1.00 1.00 C ATOM 403 C LYS X 25 84.901 -12.584 -3.771 1.00 1.00 C ATOM 404 O LYS X 25 84.769 -13.291 -2.773 1.00 1.00 O ATOM 405 CB LYS X 25 86.540 -14.282 -4.573 1.00 1.00 C ATOM 406 CG LYS X 25 85.448 -15.300 -4.903 1.00 1.00 C ATOM 407 CD LYS X 25 86.008 -16.715 -4.754 1.00 1.00 C ATOM 408 CE LYS X 25 84.937 -17.730 -5.156 1.00 1.00 C ATOM 409 NZ LYS X 25 85.510 -19.105 -5.097 1.00 1.00 N ATOM 0 H LYS X 25 87.660 -12.021 -3.815 1.00 1.00 H new ATOM 0 HA LYS X 25 85.587 -12.785 -5.792 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.411 -14.450 -5.206 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.867 -14.406 -3.541 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.595 -15.163 -4.238 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.087 -15.145 -5.920 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.892 -16.836 -5.380 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.320 -16.888 -3.724 1.00 1.00 H new ATOM 0 HE2 LYS X 25 84.079 -17.653 -4.489 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.578 -17.517 -6.163 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 84.783 -19.796 -5.370 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 86.316 -19.174 -5.751 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.832 -19.306 -4.129 1.00 1.00 H new ATOM 423 N VAL X 26 84.123 -11.538 -4.029 1.00 1.00 N ATOM 424 CA VAL X 26 83.043 -11.154 -3.129 1.00 1.00 C ATOM 425 C VAL X 26 81.739 -10.921 -3.896 1.00 1.00 C ATOM 426 O VAL X 26 81.735 -10.284 -4.950 1.00 1.00 O ATOM 427 CB VAL X 26 83.439 -9.884 -2.378 1.00 1.00 C ATOM 428 CG1 VAL X 26 82.208 -9.288 -1.710 1.00 1.00 C ATOM 429 CG2 VAL X 26 84.486 -10.221 -1.313 1.00 1.00 C ATOM 0 H VAL X 26 84.220 -10.943 -4.852 1.00 1.00 H new ATOM 0 HA VAL X 26 82.876 -11.966 -2.422 1.00 1.00 H new ATOM 0 HB VAL X 26 83.858 -9.163 -3.080 1.00 1.00 H new ATOM 0 HG11 VAL X 26 82.488 -8.382 -1.173 1.00 1.00 H new ATOM 0 HG12 VAL X 26 81.464 -9.045 -2.469 1.00 1.00 H new ATOM 0 HG13 VAL X 26 81.789 -10.010 -1.009 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.767 -9.313 -0.779 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.070 -10.942 -0.609 1.00 1.00 H new ATOM 0 HG23 VAL X 26 85.367 -10.648 -1.792 1.00 1.00 H new ATOM 439 N LYS X 27 80.634 -11.440 -3.363 1.00 1.00 N ATOM 440 CA LYS X 27 79.339 -11.278 -4.010 1.00 1.00 C ATOM 441 C LYS X 27 79.024 -9.797 -4.201 1.00 1.00 C ATOM 442 O LYS X 27 79.436 -8.959 -3.400 1.00 1.00 O ATOM 443 CB LYS X 27 78.259 -11.917 -3.141 1.00 1.00 C ATOM 444 CG LYS X 27 78.567 -13.403 -2.967 1.00 1.00 C ATOM 445 CD LYS X 27 77.508 -14.034 -2.070 1.00 1.00 C ATOM 446 CE LYS X 27 77.842 -15.510 -1.848 1.00 1.00 C ATOM 447 NZ LYS X 27 76.756 -16.156 -1.053 1.00 1.00 N ATOM 0 H LYS X 27 80.612 -11.971 -2.493 1.00 1.00 H new ATOM 0 HA LYS X 27 79.366 -11.762 -4.986 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.220 -11.425 -2.169 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.280 -11.788 -3.603 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.581 -13.899 -3.937 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.556 -13.532 -2.528 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.467 -13.512 -1.114 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.524 -13.938 -2.528 1.00 1.00 H new ATOM 0 HE2 LYS X 27 77.954 -16.016 -2.807 1.00 1.00 H new ATOM 0 HE3 LYS X 27 78.794 -15.603 -1.325 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 76.985 -17.159 -0.903 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 76.669 -15.680 -0.133 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 75.856 -16.080 -1.569 1.00 1.00 H new ATOM 461 N TYR X 28 78.302 -9.481 -5.270 1.00 1.00 N ATOM 462 CA TYR X 28 77.946 -8.094 -5.559 1.00 1.00 C ATOM 463 C TYR X 28 77.097 -7.501 -4.438 1.00 1.00 C ATOM 464 O TYR X 28 77.331 -6.376 -3.994 1.00 1.00 O ATOM 465 CB TYR X 28 77.177 -8.020 -6.877 1.00 1.00 C ATOM 466 CG TYR X 28 75.696 -8.146 -6.609 1.00 1.00 C ATOM 467 CD1 TYR X 28 74.945 -7.008 -6.295 1.00 1.00 C ATOM 468 CD2 TYR X 28 75.075 -9.399 -6.672 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.572 -7.121 -6.045 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.702 -9.513 -6.421 1.00 1.00 C ATOM 471 CZ TYR X 28 72.951 -8.374 -6.107 1.00 1.00 C ATOM 472 OH TYR X 28 71.598 -8.487 -5.860 1.00 1.00 O ATOM 0 H TYR X 28 77.953 -10.159 -5.947 1.00 1.00 H new ATOM 0 HA TYR X 28 78.867 -7.516 -5.638 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.387 -7.076 -7.379 1.00 1.00 H new ATOM 0 HB3 TYR X 28 77.505 -8.816 -7.546 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.425 -6.042 -6.245 1.00 1.00 H new ATOM 0 HD2 TYR X 28 75.655 -10.278 -6.914 1.00 1.00 H new ATOM 0 HE1 TYR X 28 72.992 -6.242 -5.804 1.00 1.00 H new ATOM 0 HE2 TYR X 28 73.223 -10.480 -6.470 1.00 1.00 H new ATOM 0 HH TYR X 28 71.327 -9.425 -5.945 1.00 1.00 H new ATOM 482 N ALA X 29 76.107 -8.262 -3.990 1.00 1.00 N ATOM 483 CA ALA X 29 75.220 -7.806 -2.930 1.00 1.00 C ATOM 484 C ALA X 29 76.023 -7.388 -1.706 1.00 1.00 C ATOM 485 O ALA X 29 75.658 -6.449 -1.007 1.00 1.00 O ATOM 486 CB ALA X 29 74.248 -8.925 -2.545 1.00 1.00 C ATOM 0 H ALA X 29 75.899 -9.196 -4.344 1.00 1.00 H new ATOM 0 HA ALA X 29 74.659 -6.946 -3.296 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.588 -8.576 -1.751 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.654 -9.206 -3.414 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.810 -9.791 -2.195 1.00 1.00 H new ATOM 492 N ASP X 30 77.120 -8.088 -1.451 1.00 1.00 N ATOM 493 CA ASP X 30 77.954 -7.768 -0.301 1.00 1.00 C ATOM 494 C ASP X 30 78.393 -6.306 -0.349 1.00 1.00 C ATOM 495 O ASP X 30 78.266 -5.579 0.636 1.00 1.00 O ATOM 496 CB ASP X 30 79.188 -8.668 -0.293 1.00 1.00 C ATOM 497 CG ASP X 30 79.983 -8.460 0.989 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.536 -7.693 1.825 1.00 1.00 O ATOM 499 OD2 ASP X 30 81.031 -9.073 1.117 1.00 1.00 O ATOM 0 H ASP X 30 77.450 -8.870 -2.016 1.00 1.00 H new ATOM 0 HA ASP X 30 77.373 -7.933 0.606 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.886 -9.712 -0.377 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.814 -8.447 -1.158 1.00 1.00 H new ATOM 504 N LEU X 31 78.905 -5.881 -1.498 1.00 1.00 N ATOM 505 CA LEU X 31 79.354 -4.503 -1.658 1.00 1.00 C ATOM 506 C LEU X 31 78.172 -3.552 -1.551 1.00 1.00 C ATOM 507 O LEU X 31 78.281 -2.469 -0.976 1.00 1.00 O ATOM 508 CB LEU X 31 80.028 -4.318 -3.023 1.00 1.00 C ATOM 509 CG LEU X 31 81.294 -5.183 -3.097 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.914 -5.103 -4.496 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.322 -4.711 -2.061 1.00 1.00 C ATOM 0 H LEU X 31 79.019 -6.465 -2.326 1.00 1.00 H new ATOM 0 HA LEU X 31 80.072 -4.282 -0.868 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.339 -4.596 -3.820 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.283 -3.269 -3.174 1.00 1.00 H new ATOM 0 HG LEU X 31 81.014 -6.215 -2.885 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.811 -5.722 -4.532 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.196 -5.461 -5.233 1.00 1.00 H new ATOM 0 HD13 LEU X 31 82.177 -4.069 -4.719 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.215 -5.333 -2.125 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.588 -3.673 -2.260 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.894 -4.791 -1.062 1.00 1.00 H new ATOM 523 N LEU X 32 77.045 -3.959 -2.118 1.00 1.00 N ATOM 524 CA LEU X 32 75.853 -3.125 -2.088 1.00 1.00 C ATOM 525 C LEU X 32 75.429 -2.871 -0.649 1.00 1.00 C ATOM 526 O LEU X 32 75.093 -1.746 -0.282 1.00 1.00 O ATOM 527 CB LEU X 32 74.717 -3.807 -2.869 1.00 1.00 C ATOM 528 CG LEU X 32 73.445 -2.947 -2.816 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.726 -1.577 -3.431 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.329 -3.634 -3.607 1.00 1.00 C ATOM 0 H LEU X 32 76.931 -4.851 -2.599 1.00 1.00 H new ATOM 0 HA LEU X 32 76.076 -2.167 -2.558 1.00 1.00 H new ATOM 0 HB2 LEU X 32 75.019 -3.959 -3.905 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.516 -4.792 -2.447 1.00 1.00 H new ATOM 0 HG LEU X 32 73.137 -2.825 -1.778 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.822 -0.969 -3.392 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.520 -1.083 -2.871 1.00 1.00 H new ATOM 0 HD13 LEU X 32 74.036 -1.701 -4.469 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.427 -3.023 -3.569 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.641 -3.757 -4.644 1.00 1.00 H new ATOM 0 HD23 LEU X 32 72.124 -4.612 -3.172 1.00 1.00 H new ATOM 542 N LYS X 33 75.453 -3.919 0.161 1.00 1.00 N ATOM 543 CA LYS X 33 75.075 -3.789 1.557 1.00 1.00 C ATOM 544 C LYS X 33 76.048 -2.874 2.289 1.00 1.00 C ATOM 545 O LYS X 33 75.641 -2.045 3.103 1.00 1.00 O ATOM 546 CB LYS X 33 75.067 -5.165 2.221 1.00 1.00 C ATOM 547 CG LYS X 33 73.932 -6.009 1.638 1.00 1.00 C ATOM 548 CD LYS X 33 74.021 -7.433 2.187 1.00 1.00 C ATOM 549 CE LYS X 33 72.932 -8.291 1.545 1.00 1.00 C ATOM 550 NZ LYS X 33 71.595 -7.811 1.997 1.00 1.00 N ATOM 0 H LYS X 33 75.728 -4.860 -0.122 1.00 1.00 H new ATOM 0 HA LYS X 33 74.077 -3.354 1.609 1.00 1.00 H new ATOM 0 HB2 LYS X 33 76.023 -5.663 2.061 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.939 -5.059 3.298 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.968 -5.569 1.895 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.997 -6.023 0.550 1.00 1.00 H new ATOM 0 HD2 LYS X 33 75.004 -7.855 1.977 1.00 1.00 H new ATOM 0 HD3 LYS X 33 73.902 -7.425 3.271 1.00 1.00 H new ATOM 0 HE2 LYS X 33 73.003 -8.236 0.459 1.00 1.00 H new ATOM 0 HE3 LYS X 33 73.068 -9.337 1.820 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.881 -8.543 1.808 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 71.624 -7.612 3.017 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 71.345 -6.943 1.482 1.00 1.00 H new ATOM 564 N PHE X 34 77.336 -3.034 2.004 1.00 1.00 N ATOM 565 CA PHE X 34 78.352 -2.224 2.660 1.00 1.00 C ATOM 566 C PHE X 34 78.091 -0.737 2.412 1.00 1.00 C ATOM 567 O PHE X 34 78.083 0.067 3.346 1.00 1.00 O ATOM 568 CB PHE X 34 79.736 -2.598 2.110 1.00 1.00 C ATOM 569 CG PHE X 34 80.804 -2.352 3.161 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.993 -1.070 3.689 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.586 -3.419 3.618 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.962 -0.855 4.676 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.556 -3.204 4.604 1.00 1.00 C ATOM 574 CZ PHE X 34 82.744 -1.922 5.134 1.00 1.00 C ATOM 0 H PHE X 34 77.697 -3.710 1.331 1.00 1.00 H new ATOM 0 HA PHE X 34 78.316 -2.414 3.733 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.745 -3.646 1.811 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.952 -2.010 1.218 1.00 1.00 H new ATOM 0 HD1 PHE X 34 80.391 -0.246 3.335 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.441 -4.408 3.210 1.00 1.00 H new ATOM 0 HE1 PHE X 34 82.106 0.134 5.084 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.160 -4.027 4.956 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.492 -1.756 5.896 1.00 1.00 H new ATOM 584 N PHE X 35 77.870 -0.378 1.153 1.00 1.00 N ATOM 585 CA PHE X 35 77.610 1.014 0.804 1.00 1.00 C ATOM 586 C PHE X 35 76.324 1.494 1.464 1.00 1.00 C ATOM 587 O PHE X 35 76.196 2.660 1.826 1.00 1.00 O ATOM 588 CB PHE X 35 77.509 1.180 -0.715 1.00 1.00 C ATOM 589 CG PHE X 35 78.896 1.237 -1.319 1.00 1.00 C ATOM 590 CD1 PHE X 35 79.738 2.318 -1.029 1.00 1.00 C ATOM 591 CD2 PHE X 35 79.339 0.211 -2.163 1.00 1.00 C ATOM 592 CE1 PHE X 35 81.022 2.372 -1.582 1.00 1.00 C ATOM 593 CE2 PHE X 35 80.624 0.267 -2.715 1.00 1.00 C ATOM 594 CZ PHE X 35 81.466 1.347 -2.425 1.00 1.00 C ATOM 0 H PHE X 35 77.865 -1.024 0.364 1.00 1.00 H new ATOM 0 HA PHE X 35 78.442 1.617 1.167 1.00 1.00 H new ATOM 0 HB2 PHE X 35 76.950 0.349 -1.144 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.961 2.091 -0.955 1.00 1.00 H new ATOM 0 HD1 PHE X 35 79.396 3.110 -0.379 1.00 1.00 H new ATOM 0 HD2 PHE X 35 78.690 -0.622 -2.388 1.00 1.00 H new ATOM 0 HE1 PHE X 35 81.671 3.206 -1.358 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.966 -0.524 -3.366 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.457 1.389 -2.851 1.00 1.00 H new ATOM 604 N ASP X 36 75.370 0.593 1.613 1.00 1.00 N ATOM 605 CA ASP X 36 74.101 0.951 2.226 1.00 1.00 C ATOM 606 C ASP X 36 74.296 1.301 3.700 1.00 1.00 C ATOM 607 O ASP X 36 73.607 2.171 4.233 1.00 1.00 O ATOM 608 CB ASP X 36 73.118 -0.215 2.088 1.00 1.00 C ATOM 609 CG ASP X 36 72.415 -0.158 0.727 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.629 0.804 0.008 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.688 -1.090 0.420 1.00 1.00 O ATOM 0 H ASP X 36 75.446 -0.382 1.322 1.00 1.00 H new ATOM 0 HA ASP X 36 73.698 1.826 1.716 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.649 -1.161 2.192 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.380 -0.174 2.889 1.00 1.00 H new ATOM 616 N PHE X 37 75.226 0.614 4.358 1.00 1.00 N ATOM 617 CA PHE X 37 75.480 0.863 5.773 1.00 1.00 C ATOM 618 C PHE X 37 76.032 2.270 6.004 1.00 1.00 C ATOM 619 O PHE X 37 75.491 3.044 6.803 1.00 1.00 O ATOM 620 CB PHE X 37 76.494 -0.154 6.280 1.00 1.00 C ATOM 621 CG PHE X 37 76.664 0.014 7.770 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.529 0.998 8.264 1.00 1.00 C ATOM 623 CD2 PHE X 37 75.965 -0.813 8.657 1.00 1.00 C ATOM 624 CE1 PHE X 37 77.694 1.155 9.645 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.130 -0.656 10.039 1.00 1.00 C ATOM 626 CZ PHE X 37 76.994 0.328 10.532 1.00 1.00 C ATOM 0 H PHE X 37 75.810 -0.111 3.940 1.00 1.00 H new ATOM 0 HA PHE X 37 74.536 0.772 6.311 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.157 -1.165 6.052 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.450 -0.015 5.775 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.069 1.636 7.580 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.298 -1.572 8.276 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.361 1.914 10.026 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.591 -1.294 10.724 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.121 0.450 11.598 1.00 1.00 H new ATOM 636 N VAL X 38 77.110 2.600 5.297 1.00 1.00 N ATOM 637 CA VAL X 38 77.718 3.925 5.443 1.00 1.00 C ATOM 638 C VAL X 38 76.762 4.999 4.939 1.00 1.00 C ATOM 639 O VAL X 38 76.688 6.083 5.500 1.00 1.00 O ATOM 640 CB VAL X 38 79.043 4.010 4.681 1.00 1.00 C ATOM 641 CG1 VAL X 38 78.772 3.856 3.189 1.00 1.00 C ATOM 642 CG2 VAL X 38 79.718 5.370 4.950 1.00 1.00 C ATOM 0 H VAL X 38 77.575 1.984 4.630 1.00 1.00 H new ATOM 0 HA VAL X 38 77.920 4.089 6.502 1.00 1.00 H new ATOM 0 HB VAL X 38 79.707 3.214 5.017 1.00 1.00 H new ATOM 0 HG11 VAL X 38 79.712 3.916 2.640 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.303 2.890 3.002 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.106 4.652 2.856 1.00 1.00 H new ATOM 0 HG21 VAL X 38 80.660 5.423 4.404 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.061 6.174 4.618 1.00 1.00 H new ATOM 0 HG23 VAL X 38 79.911 5.476 6.018 1.00 1.00 H new ATOM 652 N LYS X 39 76.023 4.689 3.880 1.00 1.00 N ATOM 653 CA LYS X 39 75.064 5.639 3.324 1.00 1.00 C ATOM 654 C LYS X 39 73.944 5.929 4.320 1.00 1.00 C ATOM 655 O LYS X 39 73.466 7.059 4.419 1.00 1.00 O ATOM 656 CB LYS X 39 74.475 5.083 2.031 1.00 1.00 C ATOM 657 CG LYS X 39 75.476 5.269 0.886 1.00 1.00 C ATOM 658 CD LYS X 39 74.947 4.575 -0.372 1.00 1.00 C ATOM 659 CE LYS X 39 75.911 4.821 -1.535 1.00 1.00 C ATOM 660 NZ LYS X 39 75.399 4.138 -2.757 1.00 1.00 N ATOM 0 H LYS X 39 76.068 3.795 3.392 1.00 1.00 H new ATOM 0 HA LYS X 39 75.587 6.572 3.114 1.00 1.00 H new ATOM 0 HB2 LYS X 39 74.239 4.026 2.153 1.00 1.00 H new ATOM 0 HB3 LYS X 39 73.541 5.593 1.797 1.00 1.00 H new ATOM 0 HG2 LYS X 39 75.629 6.331 0.692 1.00 1.00 H new ATOM 0 HG3 LYS X 39 76.444 4.853 1.164 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.842 3.505 -0.193 1.00 1.00 H new ATOM 0 HD3 LYS X 39 73.956 4.955 -0.620 1.00 1.00 H new ATOM 0 HE2 LYS X 39 76.011 5.891 -1.718 1.00 1.00 H new ATOM 0 HE3 LYS X 39 76.903 4.446 -1.284 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 76.023 3.341 -2.996 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 74.437 3.784 -2.580 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 75.379 4.812 -3.549 1.00 1.00 H new ATOM 674 N ASP X 40 73.525 4.900 5.049 1.00 1.00 N ATOM 675 CA ASP X 40 72.454 5.059 6.023 1.00 1.00 C ATOM 676 C ASP X 40 72.824 6.125 7.043 1.00 1.00 C ATOM 677 O ASP X 40 72.044 7.039 7.307 1.00 1.00 O ATOM 678 CB ASP X 40 72.203 3.733 6.745 1.00 1.00 C ATOM 679 CG ASP X 40 71.488 2.756 5.818 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.105 3.167 4.734 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.320 1.614 6.213 1.00 1.00 O ATOM 0 H ASP X 40 73.907 3.956 4.985 1.00 1.00 H new ATOM 0 HA ASP X 40 71.549 5.364 5.497 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.150 3.306 7.075 1.00 1.00 H new ATOM 0 HB3 ASP X 40 71.602 3.905 7.638 1.00 1.00 H new ATOM 836 N ILE X 51 94.874 7.161 1.052 1.00 1.00 N ATOM 837 CA ILE X 51 93.796 6.592 0.245 1.00 1.00 C ATOM 838 C ILE X 51 92.447 7.105 0.746 1.00 1.00 C ATOM 839 O ILE X 51 92.137 7.013 1.934 1.00 1.00 O ATOM 840 CB ILE X 51 93.834 5.057 0.339 1.00 1.00 C ATOM 841 CG1 ILE X 51 94.993 4.499 -0.494 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.523 4.466 -0.185 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.689 3.375 0.275 1.00 1.00 C ATOM 0 HA ILE X 51 93.929 6.893 -0.794 1.00 1.00 H new ATOM 0 HB ILE X 51 93.972 4.784 1.385 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.620 4.124 -1.447 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.705 5.292 -0.721 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.560 3.379 -0.114 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.691 4.840 0.411 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.383 4.757 -1.226 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.512 2.982 -0.321 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.077 3.764 1.217 1.00 1.00 H new ATOM 0 HD13 ILE X 51 94.975 2.577 0.479 1.00 1.00 H new ATOM 855 N ASP X 52 91.661 7.663 -0.170 1.00 1.00 N ATOM 856 CA ASP X 52 90.357 8.214 0.184 1.00 1.00 C ATOM 857 C ASP X 52 89.459 7.130 0.761 1.00 1.00 C ATOM 858 O ASP X 52 88.702 7.370 1.700 1.00 1.00 O ATOM 859 CB ASP X 52 89.702 8.833 -1.053 1.00 1.00 C ATOM 860 CG ASP X 52 88.349 9.429 -0.680 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.929 9.232 0.449 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.750 10.069 -1.529 1.00 1.00 O ATOM 0 H ASP X 52 91.902 7.745 -1.158 1.00 1.00 H new ATOM 0 HA ASP X 52 90.497 8.986 0.940 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.348 9.606 -1.469 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.575 8.075 -1.826 1.00 1.00 H new ATOM 867 N ILE X 53 89.559 5.934 0.204 1.00 1.00 N ATOM 868 CA ILE X 53 88.763 4.815 0.683 1.00 1.00 C ATOM 869 C ILE X 53 89.163 4.440 2.102 1.00 1.00 C ATOM 870 O ILE X 53 88.381 3.859 2.838 1.00 1.00 O ATOM 871 CB ILE X 53 88.947 3.607 -0.241 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.099 3.802 -1.489 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.512 2.329 0.467 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.466 2.766 -2.549 1.00 1.00 C ATOM 0 H ILE X 53 90.179 5.713 -0.575 1.00 1.00 H new ATOM 0 HA ILE X 53 87.715 5.114 0.683 1.00 1.00 H new ATOM 0 HB ILE X 53 89.999 3.521 -0.511 1.00 1.00 H new ATOM 0 HG12 ILE X 53 87.042 3.714 -1.236 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.249 4.806 -1.885 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.648 1.479 -0.201 1.00 1.00 H new ATOM 0 HG22 ILE X 53 89.115 2.186 1.364 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.461 2.407 0.746 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.851 2.919 -3.436 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.518 2.874 -2.814 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.292 1.765 -2.155 1.00 1.00 H new ATOM 886 N LYS X 54 90.383 4.769 2.494 1.00 1.00 N ATOM 887 CA LYS X 54 90.842 4.409 3.828 1.00 1.00 C ATOM 888 C LYS X 54 89.806 4.791 4.871 1.00 1.00 C ATOM 889 O LYS X 54 89.447 3.981 5.717 1.00 1.00 O ATOM 890 CB LYS X 54 92.144 5.143 4.138 1.00 1.00 C ATOM 891 CG LYS X 54 92.910 4.414 5.239 1.00 1.00 C ATOM 892 CD LYS X 54 94.247 5.122 5.474 1.00 1.00 C ATOM 893 CE LYS X 54 95.044 4.363 6.533 1.00 1.00 C ATOM 894 NZ LYS X 54 96.376 5.006 6.715 1.00 1.00 N ATOM 0 H LYS X 54 91.061 5.274 1.923 1.00 1.00 H new ATOM 0 HA LYS X 54 91.001 3.331 3.857 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.757 5.207 3.239 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.929 6.165 4.450 1.00 1.00 H new ATOM 0 HG2 LYS X 54 92.325 4.401 6.159 1.00 1.00 H new ATOM 0 HG3 LYS X 54 93.080 3.376 4.954 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.813 5.172 4.544 1.00 1.00 H new ATOM 0 HD3 LYS X 54 94.075 6.148 5.798 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.500 4.358 7.477 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.169 3.323 6.232 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.916 4.487 7.436 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.896 4.989 5.814 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 96.247 5.991 7.021 1.00 1.00 H new ATOM 908 N ARG X 55 89.312 6.012 4.798 1.00 1.00 N ATOM 909 CA ARG X 55 88.312 6.462 5.750 1.00 1.00 C ATOM 910 C ARG X 55 87.087 5.562 5.714 1.00 1.00 C ATOM 911 O ARG X 55 86.503 5.257 6.752 1.00 1.00 O ATOM 912 CB ARG X 55 87.908 7.902 5.443 1.00 1.00 C ATOM 913 CG ARG X 55 86.912 8.392 6.496 1.00 1.00 C ATOM 914 CD ARG X 55 86.624 9.878 6.269 1.00 1.00 C ATOM 915 NE ARG X 55 87.796 10.679 6.610 1.00 1.00 N ATOM 916 CZ ARG X 55 88.007 11.092 7.855 1.00 1.00 C ATOM 917 NH1 ARG X 55 87.155 10.786 8.796 1.00 1.00 N ATOM 918 NH2 ARG X 55 89.064 11.802 8.138 1.00 1.00 N ATOM 0 H ARG X 55 89.582 6.704 4.099 1.00 1.00 H new ATOM 0 HA ARG X 55 88.745 6.415 6.749 1.00 1.00 H new ATOM 0 HB2 ARG X 55 88.789 8.544 5.435 1.00 1.00 H new ATOM 0 HB3 ARG X 55 87.462 7.961 4.450 1.00 1.00 H new ATOM 0 HG2 ARG X 55 85.988 7.817 6.434 1.00 1.00 H new ATOM 0 HG3 ARG X 55 87.317 8.237 7.496 1.00 1.00 H new ATOM 0 HD2 ARG X 55 86.350 10.047 5.228 1.00 1.00 H new ATOM 0 HD3 ARG X 55 85.774 10.188 6.877 1.00 1.00 H new ATOM 0 HE ARG X 55 88.464 10.926 5.880 1.00 1.00 H new ATOM 0 HH11 ARG X 55 86.329 10.230 8.575 1.00 1.00 H new ATOM 0 HH12 ARG X 55 87.316 11.102 9.752 1.00 1.00 H new ATOM 0 HH21 ARG X 55 89.730 12.041 7.403 1.00 1.00 H new ATOM 0 HH22 ARG X 55 89.225 12.118 9.094 1.00 1.00 H new ATOM 932 N TRP X 56 86.695 5.140 4.522 1.00 1.00 N ATOM 933 CA TRP X 56 85.524 4.282 4.385 1.00 1.00 C ATOM 934 C TRP X 56 85.740 2.948 5.116 1.00 1.00 C ATOM 935 O TRP X 56 84.894 2.489 5.898 1.00 1.00 O ATOM 936 CB TRP X 56 85.233 4.040 2.890 1.00 1.00 C ATOM 937 CG TRP X 56 84.154 3.014 2.724 1.00 1.00 C ATOM 938 CD1 TRP X 56 83.211 2.734 3.652 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.889 2.134 1.593 1.00 1.00 C ATOM 940 NE1 TRP X 56 82.384 1.739 3.164 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.761 1.336 1.898 1.00 1.00 C ATOM 942 CE3 TRP X 56 84.512 1.953 0.344 1.00 1.00 C ATOM 943 CZ2 TRP X 56 82.269 0.391 0.998 1.00 1.00 C ATOM 944 CZ3 TRP X 56 84.018 1.003 -0.565 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.899 0.224 -0.239 1.00 1.00 C ATOM 0 H TRP X 56 87.162 5.372 3.645 1.00 1.00 H new ATOM 0 HA TRP X 56 84.666 4.778 4.839 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.930 4.974 2.417 1.00 1.00 H new ATOM 0 HB3 TRP X 56 86.140 3.707 2.386 1.00 1.00 H new ATOM 0 HD1 TRP X 56 83.119 3.210 4.617 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.592 1.350 3.676 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.375 2.548 0.083 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 81.407 -0.208 1.255 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 84.503 0.872 -1.521 1.00 1.00 H new ATOM 0 HH2 TRP X 56 82.524 -0.504 -0.943 1.00 1.00 H new ATOM 956 N ARG X 57 86.881 2.329 4.864 1.00 1.00 N ATOM 957 CA ARG X 57 87.199 1.053 5.490 1.00 1.00 C ATOM 958 C ARG X 57 87.397 1.225 6.989 1.00 1.00 C ATOM 959 O ARG X 57 87.039 0.351 7.771 1.00 1.00 O ATOM 960 CB ARG X 57 88.456 0.460 4.868 1.00 1.00 C ATOM 961 CG ARG X 57 88.416 0.650 3.350 1.00 1.00 C ATOM 962 CD ARG X 57 87.141 0.041 2.757 1.00 1.00 C ATOM 963 NE ARG X 57 87.228 -0.033 1.302 1.00 1.00 N ATOM 964 CZ ARG X 57 86.215 -0.495 0.578 1.00 1.00 C ATOM 965 NH1 ARG X 57 85.116 -0.886 1.167 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.316 -0.559 -0.721 1.00 1.00 N ATOM 0 H ARG X 57 87.600 2.685 4.234 1.00 1.00 H new ATOM 0 HA ARG X 57 86.363 0.373 5.324 1.00 1.00 H new ATOM 0 HB2 ARG X 57 89.341 0.943 5.282 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.528 -0.600 5.110 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.462 1.712 3.111 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.291 0.184 2.898 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.985 -0.957 3.167 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.278 0.642 3.044 1.00 1.00 H new ATOM 0 HE ARG X 57 88.080 0.275 0.834 1.00 1.00 H new ATOM 0 HH11 ARG X 57 85.036 -0.836 2.183 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.338 -1.241 0.611 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.174 -0.254 -1.181 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.537 -0.914 -1.276 1.00 1.00 H new ATOM 980 N ARG X 58 87.966 2.356 7.384 1.00 1.00 N ATOM 981 CA ARG X 58 88.199 2.625 8.799 1.00 1.00 C ATOM 982 C ARG X 58 86.902 2.513 9.582 1.00 1.00 C ATOM 983 O ARG X 58 86.874 1.942 10.673 1.00 1.00 O ATOM 984 CB ARG X 58 88.787 4.025 8.993 1.00 1.00 C ATOM 985 CG ARG X 58 90.286 4.007 8.691 1.00 1.00 C ATOM 986 CD ARG X 58 90.851 5.420 8.823 1.00 1.00 C ATOM 987 NE ARG X 58 91.264 5.668 10.205 1.00 1.00 N ATOM 988 CZ ARG X 58 92.488 5.375 10.632 1.00 1.00 C ATOM 989 NH1 ARG X 58 93.357 4.849 9.812 1.00 1.00 N ATOM 990 NH2 ARG X 58 92.821 5.612 11.871 1.00 1.00 N ATOM 0 H ARG X 58 88.273 3.096 6.753 1.00 1.00 H new ATOM 0 HA ARG X 58 88.909 1.885 9.168 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.283 4.734 8.336 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.617 4.362 10.016 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.798 3.334 9.379 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.460 3.627 7.684 1.00 1.00 H new ATOM 0 HD2 ARG X 58 91.702 5.544 8.153 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.100 6.150 8.523 1.00 1.00 H new ATOM 0 HE ARG X 58 90.595 6.076 10.858 1.00 1.00 H new ATOM 0 HH11 ARG X 58 93.097 4.663 8.844 1.00 1.00 H new ATOM 0 HH12 ARG X 58 94.296 4.624 10.140 1.00 1.00 H new ATOM 0 HH21 ARG X 58 92.142 6.022 12.512 1.00 1.00 H new ATOM 0 HH22 ARG X 58 93.760 5.387 12.199 1.00 1.00 H new ATOM 1004 N VAL X 59 85.829 3.052 9.024 1.00 1.00 N ATOM 1005 CA VAL X 59 84.540 2.990 9.692 1.00 1.00 C ATOM 1006 C VAL X 59 84.140 1.541 9.881 1.00 1.00 C ATOM 1007 O VAL X 59 83.732 1.140 10.963 1.00 1.00 O ATOM 1008 CB VAL X 59 83.483 3.719 8.862 1.00 1.00 C ATOM 1009 CG1 VAL X 59 82.123 3.631 9.555 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.886 5.185 8.713 1.00 1.00 C ATOM 0 H VAL X 59 85.824 3.531 8.123 1.00 1.00 H new ATOM 0 HA VAL X 59 84.616 3.475 10.665 1.00 1.00 H new ATOM 0 HB VAL X 59 83.411 3.254 7.879 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.376 4.153 8.957 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.836 2.585 9.662 1.00 1.00 H new ATOM 0 HG13 VAL X 59 82.186 4.093 10.540 1.00 1.00 H new ATOM 0 HG21 VAL X 59 83.136 5.710 8.122 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.958 5.645 9.699 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.852 5.248 8.212 1.00 1.00 H new ATOM 1020 N GLY X 60 84.268 0.754 8.827 1.00 1.00 N ATOM 1021 CA GLY X 60 83.914 -0.647 8.919 1.00 1.00 C ATOM 1022 C GLY X 60 84.823 -1.394 9.876 1.00 1.00 C ATOM 1023 O GLY X 60 84.357 -2.004 10.813 1.00 1.00 O ATOM 0 H GLY X 60 84.608 1.056 7.914 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.880 -0.740 9.252 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.973 -1.103 7.931 1.00 1.00 H new ATOM 1027 N ASP X 61 86.121 -1.318 9.681 1.00 1.00 N ATOM 1028 CA ASP X 61 87.015 -2.020 10.574 1.00 1.00 C ATOM 1029 C ASP X 61 86.616 -1.785 12.027 1.00 1.00 C ATOM 1030 O ASP X 61 86.607 -2.715 12.832 1.00 1.00 O ATOM 1031 CB ASP X 61 88.436 -1.523 10.352 1.00 1.00 C ATOM 1032 CG ASP X 61 88.946 -1.995 8.996 1.00 1.00 C ATOM 1033 OD1 ASP X 61 88.275 -2.806 8.380 1.00 1.00 O ATOM 1034 OD2 ASP X 61 90.001 -1.535 8.591 1.00 1.00 O ATOM 0 H ASP X 61 86.572 -0.792 8.933 1.00 1.00 H new ATOM 0 HA ASP X 61 86.956 -3.088 10.365 1.00 1.00 H new ATOM 0 HB2 ASP X 61 88.461 -0.434 10.401 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.087 -1.893 11.144 1.00 1.00 H new ATOM 1039 N CYS X 62 86.265 -0.556 12.371 1.00 1.00 N ATOM 1040 CA CYS X 62 85.875 -0.274 13.747 1.00 1.00 C ATOM 1041 C CYS X 62 84.448 -0.733 14.044 1.00 1.00 C ATOM 1042 O CYS X 62 84.223 -1.623 14.870 1.00 1.00 O ATOM 1043 CB CYS X 62 85.980 1.224 13.995 1.00 1.00 C ATOM 1044 SG CYS X 62 87.643 1.780 13.558 1.00 1.00 S ATOM 0 H CYS X 62 86.241 0.244 11.738 1.00 1.00 H new ATOM 0 HA CYS X 62 86.546 -0.825 14.406 1.00 1.00 H new ATOM 0 HB2 CYS X 62 85.237 1.757 13.401 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.771 1.448 15.041 1.00 1.00 H new ATOM 0 HG CYS X 62 87.701 2.013 12.280 1.00 1.00 H new ATOM 1050 N PHE X 63 83.488 -0.119 13.368 1.00 1.00 N ATOM 1051 CA PHE X 63 82.084 -0.455 13.568 1.00 1.00 C ATOM 1052 C PHE X 63 81.803 -1.903 13.180 1.00 1.00 C ATOM 1053 O PHE X 63 81.157 -2.637 13.926 1.00 1.00 O ATOM 1054 CB PHE X 63 81.196 0.510 12.752 1.00 1.00 C ATOM 1055 CG PHE X 63 80.339 -0.255 11.765 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.373 -1.161 12.219 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.542 -0.077 10.392 1.00 1.00 C ATOM 1058 CE1 PHE X 63 78.608 -1.888 11.299 1.00 1.00 C ATOM 1059 CE2 PHE X 63 79.777 -0.804 9.471 1.00 1.00 C ATOM 1060 CZ PHE X 63 78.810 -1.710 9.925 1.00 1.00 C ATOM 0 H PHE X 63 83.654 0.613 12.677 1.00 1.00 H new ATOM 0 HA PHE X 63 81.849 -0.347 14.627 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.559 1.084 13.426 1.00 1.00 H new ATOM 0 HB3 PHE X 63 81.822 1.225 12.219 1.00 1.00 H new ATOM 0 HD1 PHE X 63 79.218 -1.299 13.279 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.288 0.621 10.042 1.00 1.00 H new ATOM 0 HE1 PHE X 63 77.862 -2.586 11.649 1.00 1.00 H new ATOM 0 HE2 PHE X 63 79.933 -0.666 8.411 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.220 -2.271 9.215 1.00 1.00 H new ATOM 1070 N GLN X 64 82.265 -2.303 11.999 1.00 1.00 N ATOM 1071 CA GLN X 64 82.032 -3.654 11.512 1.00 1.00 C ATOM 1072 C GLN X 64 82.568 -4.674 12.496 1.00 1.00 C ATOM 1073 O GLN X 64 81.947 -5.703 12.711 1.00 1.00 O ATOM 1074 CB GLN X 64 82.703 -3.858 10.148 1.00 1.00 C ATOM 1075 CG GLN X 64 82.227 -5.149 9.515 1.00 1.00 C ATOM 1076 CD GLN X 64 82.659 -5.177 8.057 1.00 1.00 C ATOM 1077 OE1 GLN X 64 83.016 -6.312 7.522 1.00 1.00 O flip ATOM 1078 NE2 GLN X 64 82.661 -4.147 7.382 1.00 1.00 N flip ATOM 0 H GLN X 64 82.801 -1.711 11.365 1.00 1.00 H new ATOM 0 HA GLN X 64 80.956 -3.792 11.405 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.473 -3.018 9.493 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.786 -3.882 10.268 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.643 -6.004 10.047 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.142 -5.226 9.587 1.00 1.00 H new ATOM 0 HE21 GLN X 64 82.381 -3.261 7.803 1.00 1.00 H new ATOM 0 HE22 GLN X 64 82.942 -4.180 6.402 1.00 1.00 H new ATOM 1087 N ASP X 65 83.722 -4.398 13.094 1.00 1.00 N ATOM 1088 CA ASP X 65 84.290 -5.342 14.047 1.00 1.00 C ATOM 1089 C ASP X 65 83.334 -5.576 15.218 1.00 1.00 C ATOM 1090 O ASP X 65 83.086 -6.719 15.603 1.00 1.00 O ATOM 1091 CB ASP X 65 85.624 -4.811 14.576 1.00 1.00 C ATOM 1092 CG ASP X 65 86.767 -5.181 13.624 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.510 -5.884 12.660 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.883 -4.762 13.884 1.00 1.00 O ATOM 0 H ASP X 65 84.270 -3.551 12.941 1.00 1.00 H new ATOM 0 HA ASP X 65 84.451 -6.290 13.533 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.572 -3.728 14.687 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.819 -5.224 15.566 1.00 1.00 H new ATOM 1099 N TYR X 66 82.804 -4.497 15.787 1.00 1.00 N ATOM 1100 CA TYR X 66 81.884 -4.620 16.917 1.00 1.00 C ATOM 1101 C TYR X 66 80.542 -5.198 16.479 1.00 1.00 C ATOM 1102 O TYR X 66 80.006 -6.105 17.115 1.00 1.00 O ATOM 1103 CB TYR X 66 81.672 -3.243 17.552 1.00 1.00 C ATOM 1104 CG TYR X 66 82.960 -2.440 17.482 1.00 1.00 C ATOM 1105 CD1 TYR X 66 84.196 -3.066 17.691 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.906 -1.070 17.203 1.00 1.00 C ATOM 1107 CE1 TYR X 66 85.377 -2.319 17.621 1.00 1.00 C ATOM 1108 CE2 TYR X 66 84.089 -0.324 17.133 1.00 1.00 C ATOM 1109 CZ TYR X 66 85.324 -0.948 17.342 1.00 1.00 C ATOM 1110 OH TYR X 66 86.490 -0.212 17.266 1.00 1.00 O ATOM 0 H TYR X 66 82.991 -3.539 15.490 1.00 1.00 H new ATOM 0 HA TYR X 66 82.323 -5.302 17.645 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.873 -2.712 17.034 1.00 1.00 H new ATOM 0 HB3 TYR X 66 81.359 -3.355 18.590 1.00 1.00 H new ATOM 0 HD1 TYR X 66 84.237 -4.124 17.906 1.00 1.00 H new ATOM 0 HD2 TYR X 66 81.953 -0.588 17.042 1.00 1.00 H new ATOM 0 HE1 TYR X 66 86.330 -2.800 17.782 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.048 0.734 16.918 1.00 1.00 H new ATOM 0 HH TYR X 66 86.274 0.722 17.064 1.00 1.00 H new ATOM 1120 N TYR X 67 80.007 -4.672 15.389 1.00 1.00 N ATOM 1121 CA TYR X 67 78.729 -5.145 14.870 1.00 1.00 C ATOM 1122 C TYR X 67 78.816 -6.612 14.459 1.00 1.00 C ATOM 1123 O TYR X 67 77.894 -7.389 14.706 1.00 1.00 O ATOM 1124 CB TYR X 67 78.319 -4.285 13.675 1.00 1.00 C ATOM 1125 CG TYR X 67 77.270 -3.284 14.111 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.485 -2.500 15.251 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.091 -3.133 13.371 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.522 -1.566 15.650 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.129 -2.199 13.770 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.343 -1.415 14.910 1.00 1.00 C ATOM 1131 OH TYR X 67 74.395 -0.493 15.301 1.00 1.00 O ATOM 0 H TYR X 67 80.434 -3.921 14.847 1.00 1.00 H new ATOM 0 HA TYR X 67 77.978 -5.061 15.655 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.188 -3.765 13.272 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.926 -4.915 12.877 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.394 -2.616 15.823 1.00 1.00 H new ATOM 0 HD2 TYR X 67 75.924 -3.738 12.492 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.688 -0.961 16.529 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.220 -2.083 13.198 1.00 1.00 H new ATOM 0 HH TYR X 67 73.640 -0.516 14.677 1.00 1.00 H new ATOM 1141 N ASN X 68 79.923 -6.989 13.830 1.00 1.00 N ATOM 1142 CA ASN X 68 80.109 -8.363 13.392 1.00 1.00 C ATOM 1143 C ASN X 68 80.134 -9.302 14.593 1.00 1.00 C ATOM 1144 O ASN X 68 79.512 -10.364 14.577 1.00 1.00 O ATOM 1145 CB ASN X 68 81.421 -8.480 12.618 1.00 1.00 C ATOM 1146 CG ASN X 68 81.256 -7.877 11.226 1.00 1.00 C ATOM 1147 OD1 ASN X 68 80.310 -7.004 11.016 1.00 1.00 O flip ATOM 1148 ND2 ASN X 68 82.011 -8.204 10.310 1.00 1.00 N flip ATOM 0 H ASN X 68 80.700 -6.365 13.614 1.00 1.00 H new ATOM 0 HA ASN X 68 79.278 -8.644 12.745 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.218 -7.965 13.155 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.715 -9.527 12.538 1.00 1.00 H new ATOM 0 HD21 ASN X 68 82.750 -8.887 10.477 1.00 1.00 H new ATOM 0 HD22 ASN X 68 81.898 -7.792 9.384 1.00 1.00 H new ATOM 1155 N THR X 69 80.846 -8.894 15.640 1.00 1.00 N ATOM 1156 CA THR X 69 80.930 -9.698 16.854 1.00 1.00 C ATOM 1157 C THR X 69 79.580 -9.758 17.548 1.00 1.00 C ATOM 1158 O THR X 69 79.142 -10.820 17.991 1.00 1.00 O ATOM 1159 CB THR X 69 81.974 -9.115 17.807 1.00 1.00 C ATOM 1160 OG1 THR X 69 83.262 -9.217 17.214 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.943 -9.880 19.132 1.00 1.00 C ATOM 0 H THR X 69 81.369 -8.019 15.672 1.00 1.00 H new ATOM 0 HA THR X 69 81.228 -10.708 16.574 1.00 1.00 H new ATOM 0 HB THR X 69 81.750 -8.066 17.999 1.00 1.00 H new ATOM 0 HG1 THR X 69 83.408 -8.454 16.617 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.688 -9.463 19.810 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.954 -9.791 19.580 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.166 -10.931 18.950 1.00 1.00 H new ATOM 1169 N PHE X 70 78.925 -8.608 17.640 1.00 1.00 N ATOM 1170 CA PHE X 70 77.621 -8.539 18.286 1.00 1.00 C ATOM 1171 C PHE X 70 76.624 -9.460 17.589 1.00 1.00 C ATOM 1172 O PHE X 70 75.847 -10.155 18.244 1.00 1.00 O ATOM 1173 CB PHE X 70 77.089 -7.098 18.258 1.00 1.00 C ATOM 1174 CG PHE X 70 77.417 -6.397 19.559 1.00 1.00 C ATOM 1175 CD1 PHE X 70 76.890 -6.887 20.759 1.00 1.00 C ATOM 1176 CD2 PHE X 70 78.244 -5.269 19.566 1.00 1.00 C ATOM 1177 CE1 PHE X 70 77.189 -6.246 21.967 1.00 1.00 C ATOM 1178 CE2 PHE X 70 78.545 -4.628 20.774 1.00 1.00 C ATOM 1179 CZ PHE X 70 78.017 -5.117 21.975 1.00 1.00 C ATOM 0 H PHE X 70 79.271 -7.719 17.280 1.00 1.00 H new ATOM 0 HA PHE X 70 77.739 -8.862 19.320 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.530 -6.555 17.422 1.00 1.00 H new ATOM 0 HB3 PHE X 70 76.010 -7.103 18.101 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.253 -7.759 20.753 1.00 1.00 H new ATOM 0 HD2 PHE X 70 78.651 -4.892 18.639 1.00 1.00 H new ATOM 0 HE1 PHE X 70 76.781 -6.623 22.893 1.00 1.00 H new ATOM 0 HE2 PHE X 70 79.184 -3.757 20.779 1.00 1.00 H new ATOM 0 HZ PHE X 70 78.248 -4.623 22.907 1.00 1.00 H new ATOM 1189 N GLY X 71 76.638 -9.450 16.262 1.00 1.00 N ATOM 1190 CA GLY X 71 75.717 -10.278 15.497 1.00 1.00 C ATOM 1191 C GLY X 71 75.565 -9.753 14.072 1.00 1.00 C ATOM 1192 O GLY X 71 75.822 -10.474 13.109 1.00 1.00 O ATOM 0 H GLY X 71 77.271 -8.883 15.698 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.080 -11.305 15.473 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.744 -10.295 15.988 1.00 1.00 H new ATOM 1196 N PRO X 72 75.151 -8.519 13.921 1.00 1.00 N ATOM 1197 CA PRO X 72 74.963 -7.899 12.581 1.00 1.00 C ATOM 1198 C PRO X 72 76.074 -8.279 11.604 1.00 1.00 C ATOM 1199 O PRO X 72 77.136 -7.656 11.567 1.00 1.00 O ATOM 1200 CB PRO X 72 74.981 -6.403 12.879 1.00 1.00 C ATOM 1201 CG PRO X 72 74.532 -6.257 14.297 1.00 1.00 C ATOM 1202 CD PRO X 72 74.816 -7.578 15.007 1.00 1.00 C ATOM 0 HA PRO X 72 74.045 -8.233 12.097 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.981 -5.991 12.742 1.00 1.00 H new ATOM 0 HB3 PRO X 72 74.318 -5.863 12.203 1.00 1.00 H new ATOM 0 HG2 PRO X 72 75.062 -5.438 14.784 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.469 -6.020 14.340 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.640 -7.479 15.714 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.949 -7.918 15.573 1.00 1.00 H new ATOM 1210 N GLU X 73 75.812 -9.310 10.814 1.00 1.00 N ATOM 1211 CA GLU X 73 76.776 -9.787 9.830 1.00 1.00 C ATOM 1212 C GLU X 73 76.576 -9.091 8.486 1.00 1.00 C ATOM 1213 O GLU X 73 77.213 -9.451 7.498 1.00 1.00 O ATOM 1214 CB GLU X 73 76.641 -11.303 9.660 1.00 1.00 C ATOM 1215 CG GLU X 73 75.330 -11.639 8.939 1.00 1.00 C ATOM 1216 CD GLU X 73 75.094 -13.144 8.963 1.00 1.00 C ATOM 1217 OE1 GLU X 73 74.847 -13.668 10.038 1.00 1.00 O ATOM 1218 OE2 GLU X 73 75.155 -13.751 7.907 1.00 1.00 O ATOM 0 H GLU X 73 74.937 -9.834 10.835 1.00 1.00 H new ATOM 0 HA GLU X 73 77.778 -9.552 10.190 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.487 -11.690 9.091 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.663 -11.789 10.635 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.498 -11.124 9.420 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.371 -11.285 7.909 1.00 1.00 H new ATOM 1225 N LYS X 74 75.672 -8.114 8.449 1.00 1.00 N ATOM 1226 CA LYS X 74 75.379 -7.401 7.212 1.00 1.00 C ATOM 1227 C LYS X 74 76.657 -7.141 6.427 1.00 1.00 C ATOM 1228 O LYS X 74 76.685 -7.310 5.209 1.00 1.00 O ATOM 1229 CB LYS X 74 74.674 -6.081 7.535 1.00 1.00 C ATOM 1230 CG LYS X 74 74.421 -5.295 6.247 1.00 1.00 C ATOM 1231 CD LYS X 74 73.670 -4.010 6.574 1.00 1.00 C ATOM 1232 CE LYS X 74 73.539 -3.185 5.301 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.836 -1.907 5.606 1.00 1.00 N ATOM 0 H LYS X 74 75.134 -7.801 9.257 1.00 1.00 H new ATOM 0 HA LYS X 74 74.723 -8.016 6.597 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.730 -6.278 8.042 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.285 -5.490 8.217 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.367 -5.061 5.759 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.843 -5.899 5.548 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.684 -4.241 6.978 1.00 1.00 H new ATOM 0 HD3 LYS X 74 74.203 -3.444 7.338 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.525 -2.979 4.885 1.00 1.00 H new ATOM 0 HE3 LYS X 74 72.986 -3.745 4.547 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.747 -1.344 4.736 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.889 -2.113 5.984 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.381 -1.371 6.311 1.00 1.00 H new ATOM 1247 N VAL X 75 77.706 -6.734 7.128 1.00 1.00 N ATOM 1248 CA VAL X 75 78.980 -6.463 6.487 1.00 1.00 C ATOM 1249 C VAL X 75 80.056 -7.400 7.041 1.00 1.00 C ATOM 1250 O VAL X 75 80.752 -7.057 7.997 1.00 1.00 O ATOM 1251 CB VAL X 75 79.380 -5.015 6.733 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.697 -4.115 5.704 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.958 -4.604 8.138 1.00 1.00 C ATOM 0 H VAL X 75 77.698 -6.585 8.137 1.00 1.00 H new ATOM 0 HA VAL X 75 78.882 -6.632 5.415 1.00 1.00 H new ATOM 0 HB VAL X 75 80.461 -4.914 6.637 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.983 -3.078 5.880 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.004 -4.411 4.701 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.615 -4.213 5.796 1.00 1.00 H new ATOM 0 HG21 VAL X 75 79.244 -3.567 8.315 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.877 -4.704 8.237 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.450 -5.246 8.868 1.00 1.00 H new ATOM 1263 N PRO X 76 80.199 -8.567 6.466 1.00 1.00 N ATOM 1264 CA PRO X 76 81.213 -9.571 6.916 1.00 1.00 C ATOM 1265 C PRO X 76 82.623 -8.991 6.958 1.00 1.00 C ATOM 1266 O PRO X 76 83.008 -8.206 6.093 1.00 1.00 O ATOM 1267 CB PRO X 76 81.108 -10.680 5.867 1.00 1.00 C ATOM 1268 CG PRO X 76 79.734 -10.549 5.299 1.00 1.00 C ATOM 1269 CD PRO X 76 79.407 -9.066 5.330 1.00 1.00 C ATOM 0 HA PRO X 76 81.024 -9.917 7.932 1.00 1.00 H new ATOM 0 HB2 PRO X 76 81.867 -10.564 5.093 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.257 -11.662 6.315 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.694 -10.936 4.281 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.014 -11.120 5.885 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.686 -8.573 4.398 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.341 -8.892 5.476 1.00 1.00 H new ATOM 1277 N VAL X 77 83.386 -9.388 7.975 1.00 1.00 N ATOM 1278 CA VAL X 77 84.752 -8.900 8.139 1.00 1.00 C ATOM 1279 C VAL X 77 85.588 -9.197 6.898 1.00 1.00 C ATOM 1280 O VAL X 77 86.545 -8.484 6.600 1.00 1.00 O ATOM 1281 CB VAL X 77 85.399 -9.556 9.361 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.464 -11.069 9.151 1.00 1.00 C ATOM 1283 CG2 VAL X 77 86.818 -9.006 9.544 1.00 1.00 C ATOM 0 H VAL X 77 83.082 -10.044 8.695 1.00 1.00 H new ATOM 0 HA VAL X 77 84.713 -7.820 8.283 1.00 1.00 H new ATOM 0 HB VAL X 77 84.806 -9.336 10.249 1.00 1.00 H new ATOM 0 HG11 VAL X 77 85.925 -11.538 10.021 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.456 -11.462 9.019 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.058 -11.288 8.264 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.280 -9.473 10.414 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.411 -9.227 8.656 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.774 -7.927 9.692 1.00 1.00 H new ATOM 1293 N THR X 78 85.218 -10.246 6.172 1.00 1.00 N ATOM 1294 CA THR X 78 85.943 -10.616 4.960 1.00 1.00 C ATOM 1295 C THR X 78 86.215 -9.382 4.092 1.00 1.00 C ATOM 1296 O THR X 78 87.023 -9.425 3.159 1.00 1.00 O ATOM 1297 CB THR X 78 85.124 -11.633 4.164 1.00 1.00 C ATOM 1298 OG1 THR X 78 83.956 -11.003 3.658 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.722 -12.796 5.075 1.00 1.00 C ATOM 0 H THR X 78 84.428 -10.851 6.398 1.00 1.00 H new ATOM 0 HA THR X 78 86.898 -11.056 5.247 1.00 1.00 H new ATOM 0 HB THR X 78 85.723 -12.013 3.336 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.430 -11.652 3.146 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.138 -13.519 4.506 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.618 -13.279 5.465 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.123 -12.419 5.904 1.00 1.00 H new ATOM 1307 N ALA X 79 85.543 -8.282 4.415 1.00 1.00 N ATOM 1308 CA ALA X 79 85.717 -7.039 3.678 1.00 1.00 C ATOM 1309 C ALA X 79 87.152 -6.535 3.802 1.00 1.00 C ATOM 1310 O ALA X 79 87.661 -5.868 2.903 1.00 1.00 O ATOM 1311 CB ALA X 79 84.755 -5.984 4.219 1.00 1.00 C ATOM 0 H ALA X 79 84.873 -8.228 5.182 1.00 1.00 H new ATOM 0 HA ALA X 79 85.504 -7.226 2.626 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.887 -5.054 3.666 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.729 -6.333 4.103 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.962 -5.811 5.275 1.00 1.00 H new ATOM 1317 N PHE X 80 87.799 -6.846 4.921 1.00 1.00 N ATOM 1318 CA PHE X 80 89.171 -6.402 5.136 1.00 1.00 C ATOM 1319 C PHE X 80 90.094 -6.934 4.040 1.00 1.00 C ATOM 1320 O PHE X 80 90.864 -6.180 3.446 1.00 1.00 O ATOM 1321 CB PHE X 80 89.659 -6.889 6.501 1.00 1.00 C ATOM 1322 CG PHE X 80 91.102 -6.493 6.695 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.126 -7.219 6.073 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.417 -5.390 7.499 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.462 -6.842 6.255 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.753 -5.014 7.680 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.776 -5.740 7.058 1.00 1.00 C ATOM 0 H PHE X 80 87.402 -7.396 5.683 1.00 1.00 H new ATOM 0 HA PHE X 80 89.191 -5.313 5.104 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.044 -6.460 7.292 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.556 -7.972 6.570 1.00 1.00 H new ATOM 0 HD1 PHE X 80 91.885 -8.070 5.453 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.629 -4.830 7.979 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.251 -7.402 5.775 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.995 -4.163 8.300 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.807 -5.450 7.198 1.00 1.00 H new ATOM 1337 N SER X 81 90.017 -8.234 3.776 1.00 1.00 N ATOM 1338 CA SER X 81 90.855 -8.844 2.746 1.00 1.00 C ATOM 1339 C SER X 81 90.567 -8.205 1.387 1.00 1.00 C ATOM 1340 O SER X 81 91.482 -7.861 0.621 1.00 1.00 O ATOM 1341 CB SER X 81 90.581 -10.352 2.690 1.00 1.00 C ATOM 1342 OG SER X 81 90.983 -10.952 3.919 1.00 1.00 O ATOM 0 H SER X 81 89.390 -8.881 4.254 1.00 1.00 H new ATOM 0 HA SER X 81 91.904 -8.679 2.992 1.00 1.00 H new ATOM 0 HB2 SER X 81 89.521 -10.534 2.513 1.00 1.00 H new ATOM 0 HB3 SER X 81 91.124 -10.801 1.859 1.00 1.00 H new ATOM 0 HG SER X 81 90.807 -11.915 3.886 1.00 1.00 H new ATOM 1348 N TYR X 82 89.286 -8.022 1.105 1.00 1.00 N ATOM 1349 CA TYR X 82 88.878 -7.407 -0.143 1.00 1.00 C ATOM 1350 C TYR X 82 89.500 -6.019 -0.262 1.00 1.00 C ATOM 1351 O TYR X 82 89.977 -5.615 -1.334 1.00 1.00 O ATOM 1352 CB TYR X 82 87.343 -7.322 -0.205 1.00 1.00 C ATOM 1353 CG TYR X 82 86.930 -6.149 -1.054 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.531 -5.952 -2.303 1.00 1.00 C ATOM 1355 CD2 TYR X 82 85.960 -5.250 -0.595 1.00 1.00 C ATOM 1356 CE1 TYR X 82 87.163 -4.855 -3.092 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.591 -4.154 -1.383 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.193 -3.957 -2.632 1.00 1.00 C ATOM 1359 OH TYR X 82 85.824 -2.877 -3.412 1.00 1.00 O ATOM 0 H TYR X 82 88.518 -8.289 1.720 1.00 1.00 H new ATOM 0 HA TYR X 82 89.225 -8.015 -0.978 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.935 -8.244 -0.620 1.00 1.00 H new ATOM 0 HB3 TYR X 82 86.935 -7.217 0.800 1.00 1.00 H new ATOM 0 HD1 TYR X 82 88.278 -6.646 -2.658 1.00 1.00 H new ATOM 0 HD2 TYR X 82 85.496 -5.402 0.368 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.627 -4.702 -4.055 1.00 1.00 H new ATOM 0 HE2 TYR X 82 84.843 -3.461 -1.028 1.00 1.00 H new ATOM 0 HH TYR X 82 85.139 -2.355 -2.945 1.00 1.00 H new ATOM 1369 N TRP X 83 89.498 -5.297 0.841 1.00 1.00 N ATOM 1370 CA TRP X 83 90.062 -3.962 0.851 1.00 1.00 C ATOM 1371 C TRP X 83 91.545 -3.991 0.505 1.00 1.00 C ATOM 1372 O TRP X 83 92.071 -3.048 -0.087 1.00 1.00 O ATOM 1373 CB TRP X 83 89.865 -3.302 2.210 1.00 1.00 C ATOM 1374 CG TRP X 83 90.608 -2.005 2.241 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.655 -1.109 1.228 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.393 -1.435 3.329 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.419 -0.026 1.625 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.897 -0.180 2.911 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.713 -1.881 4.624 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.690 0.605 3.749 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.512 -1.093 5.470 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.999 0.147 5.033 1.00 1.00 C ATOM 0 H TRP X 83 89.116 -5.608 1.734 1.00 1.00 H new ATOM 0 HA TRP X 83 89.538 -3.379 0.094 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.804 -3.131 2.394 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.224 -3.959 3.002 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.175 -1.221 0.267 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.606 0.787 1.039 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.343 -2.835 4.970 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 93.062 1.560 3.408 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.752 -1.445 6.462 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.612 0.748 5.688 1.00 1.00 H new ATOM 1393 N ASN X 84 92.218 -5.066 0.890 1.00 1.00 N ATOM 1394 CA ASN X 84 93.644 -5.192 0.627 1.00 1.00 C ATOM 1395 C ASN X 84 93.902 -5.101 -0.868 1.00 1.00 C ATOM 1396 O ASN X 84 94.849 -4.443 -1.308 1.00 1.00 O ATOM 1397 CB ASN X 84 94.147 -6.541 1.133 1.00 1.00 C ATOM 1398 CG ASN X 84 95.621 -6.443 1.513 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.020 -5.511 2.211 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.458 -7.352 1.094 1.00 1.00 N ATOM 0 H ASN X 84 91.803 -5.858 1.382 1.00 1.00 H new ATOM 0 HA ASN X 84 94.168 -4.387 1.142 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.561 -6.855 1.997 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.012 -7.300 0.363 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.445 -7.291 1.345 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.126 -8.124 0.516 1.00 1.00 H new ATOM 1407 N LEU X 85 93.050 -5.756 -1.649 1.00 1.00 N ATOM 1408 CA LEU X 85 93.211 -5.724 -3.091 1.00 1.00 C ATOM 1409 C LEU X 85 93.071 -4.294 -3.600 1.00 1.00 C ATOM 1410 O LEU X 85 93.797 -3.878 -4.504 1.00 1.00 O ATOM 1411 CB LEU X 85 92.177 -6.624 -3.781 1.00 1.00 C ATOM 1412 CG LEU X 85 92.628 -8.085 -3.733 1.00 1.00 C ATOM 1413 CD1 LEU X 85 93.883 -8.295 -4.585 1.00 1.00 C ATOM 1414 CD2 LEU X 85 92.929 -8.462 -2.285 1.00 1.00 C ATOM 0 H LEU X 85 92.258 -6.304 -1.314 1.00 1.00 H new ATOM 0 HA LEU X 85 94.207 -6.098 -3.330 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.209 -6.519 -3.291 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.046 -6.311 -4.817 1.00 1.00 H new ATOM 0 HG LEU X 85 91.832 -8.714 -4.131 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.185 -9.341 -4.536 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.669 -8.027 -5.620 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.689 -7.666 -4.207 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.252 -9.502 -2.239 1.00 1.00 H new ATOM 0 HD22 LEU X 85 93.720 -7.819 -1.899 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.030 -8.334 -1.681 1.00 1.00 H new ATOM 1426 N ILE X 86 92.137 -3.538 -3.030 1.00 1.00 N ATOM 1427 CA ILE X 86 91.943 -2.165 -3.469 1.00 1.00 C ATOM 1428 C ILE X 86 93.198 -1.327 -3.215 1.00 1.00 C ATOM 1429 O ILE X 86 93.624 -0.567 -4.085 1.00 1.00 O ATOM 1430 CB ILE X 86 90.785 -1.568 -2.702 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.490 -2.287 -3.061 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.635 -0.083 -3.039 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.386 -1.817 -2.116 1.00 1.00 C ATOM 0 H ILE X 86 91.517 -3.846 -2.281 1.00 1.00 H new ATOM 0 HA ILE X 86 91.737 -2.163 -4.539 1.00 1.00 H new ATOM 0 HB ILE X 86 90.986 -1.683 -1.637 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.216 -2.077 -4.095 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.622 -3.366 -2.979 1.00 1.00 H new ATOM 0 HG21 ILE X 86 89.798 0.334 -2.480 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.550 0.445 -2.770 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.451 0.031 -4.107 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.454 -2.325 -2.364 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.664 -2.049 -1.088 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.251 -0.740 -2.221 1.00 1.00 H new ATOM 1445 N LYS X 87 93.786 -1.458 -2.028 1.00 1.00 N ATOM 1446 CA LYS X 87 94.982 -0.688 -1.708 1.00 1.00 C ATOM 1447 C LYS X 87 96.035 -0.872 -2.781 1.00 1.00 C ATOM 1448 O LYS X 87 96.703 0.080 -3.183 1.00 1.00 O ATOM 1449 CB LYS X 87 95.550 -1.142 -0.367 1.00 1.00 C ATOM 1450 CG LYS X 87 94.684 -0.599 0.769 1.00 1.00 C ATOM 1451 CD LYS X 87 95.391 -0.807 2.115 1.00 1.00 C ATOM 1452 CE LYS X 87 95.264 -2.265 2.557 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.821 -2.409 3.932 1.00 1.00 N ATOM 0 H LYS X 87 93.461 -2.078 -1.286 1.00 1.00 H new ATOM 0 HA LYS X 87 94.707 0.365 -1.654 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.582 -2.231 -0.324 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.575 -0.788 -0.257 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.488 0.462 0.612 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.718 -1.104 0.774 1.00 1.00 H new ATOM 0 HD2 LYS X 87 96.443 -0.536 2.027 1.00 1.00 H new ATOM 0 HD3 LYS X 87 94.955 -0.151 2.869 1.00 1.00 H new ATOM 0 HE2 LYS X 87 94.219 -2.573 2.541 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.799 -2.916 1.865 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 95.737 -3.399 4.238 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 96.823 -2.130 3.932 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 95.292 -1.798 4.587 1.00 1.00 H new ATOM 1467 N GLU X 88 96.168 -2.095 -3.251 1.00 1.00 N ATOM 1468 CA GLU X 88 97.138 -2.385 -4.295 1.00 1.00 C ATOM 1469 C GLU X 88 96.753 -1.685 -5.592 1.00 1.00 C ATOM 1470 O GLU X 88 97.619 -1.284 -6.367 1.00 1.00 O ATOM 1471 CB GLU X 88 97.231 -3.894 -4.538 1.00 1.00 C ATOM 1472 CG GLU X 88 97.994 -4.551 -3.392 1.00 1.00 C ATOM 1473 CD GLU X 88 98.087 -6.055 -3.624 1.00 1.00 C ATOM 1474 OE1 GLU X 88 97.570 -6.513 -4.630 1.00 1.00 O ATOM 1475 OE2 GLU X 88 98.683 -6.725 -2.798 1.00 1.00 O ATOM 0 H GLU X 88 95.625 -2.898 -2.934 1.00 1.00 H new ATOM 0 HA GLU X 88 98.109 -2.016 -3.965 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.232 -4.322 -4.616 1.00 1.00 H new ATOM 0 HB3 GLU X 88 97.736 -4.090 -5.484 1.00 1.00 H new ATOM 0 HG2 GLU X 88 98.994 -4.123 -3.317 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.490 -4.351 -2.446 1.00 1.00 H new ATOM 1482 N LEU X 89 95.458 -1.543 -5.837 1.00 1.00 N ATOM 1483 CA LEU X 89 95.011 -0.894 -7.065 1.00 1.00 C ATOM 1484 C LEU X 89 95.257 0.611 -7.032 1.00 1.00 C ATOM 1485 O LEU X 89 95.808 1.181 -7.975 1.00 1.00 O ATOM 1486 CB LEU X 89 93.520 -1.161 -7.265 1.00 1.00 C ATOM 1487 CG LEU X 89 92.994 -0.396 -8.493 1.00 1.00 C ATOM 1488 CD1 LEU X 89 93.805 -0.777 -9.732 1.00 1.00 C ATOM 1489 CD2 LEU X 89 91.524 -0.756 -8.720 1.00 1.00 C ATOM 0 H LEU X 89 94.712 -1.860 -5.218 1.00 1.00 H new ATOM 0 HA LEU X 89 95.586 -1.309 -7.893 1.00 1.00 H new ATOM 0 HB2 LEU X 89 93.350 -2.230 -7.395 1.00 1.00 H new ATOM 0 HB3 LEU X 89 92.968 -0.857 -6.376 1.00 1.00 H new ATOM 0 HG LEU X 89 93.091 0.675 -8.317 1.00 1.00 H new ATOM 0 HD11 LEU X 89 93.427 -0.231 -10.596 1.00 1.00 H new ATOM 0 HD12 LEU X 89 94.853 -0.523 -9.573 1.00 1.00 H new ATOM 0 HD13 LEU X 89 93.714 -1.848 -9.911 1.00 1.00 H new ATOM 0 HD21 LEU X 89 91.147 -0.216 -9.589 1.00 1.00 H new ATOM 0 HD22 LEU X 89 91.434 -1.829 -8.892 1.00 1.00 H new ATOM 0 HD23 LEU X 89 90.942 -0.480 -7.841 1.00 1.00 H new ATOM 1501 N ILE X 90 94.824 1.252 -5.956 1.00 1.00 N ATOM 1502 CA ILE X 90 94.977 2.695 -5.828 1.00 1.00 C ATOM 1503 C ILE X 90 96.441 3.070 -5.673 1.00 1.00 C ATOM 1504 O ILE X 90 96.919 4.027 -6.278 1.00 1.00 O ATOM 1505 CB ILE X 90 94.183 3.187 -4.616 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.726 2.749 -4.747 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.216 4.717 -4.564 1.00 1.00 C ATOM 1508 CD1 ILE X 90 92.056 2.780 -3.378 1.00 1.00 C ATOM 0 H ILE X 90 94.367 0.800 -5.164 1.00 1.00 H new ATOM 0 HA ILE X 90 94.596 3.169 -6.733 1.00 1.00 H new ATOM 0 HB ILE X 90 94.626 2.768 -3.712 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.198 3.408 -5.436 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.674 1.744 -5.165 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.650 5.064 -3.700 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.249 5.056 -4.481 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.773 5.122 -5.474 1.00 1.00 H new ATOM 0 HD11 ILE X 90 91.016 2.467 -3.475 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.578 2.102 -2.702 1.00 1.00 H new ATOM 0 HD13 ILE X 90 92.094 3.793 -2.977 1.00 1.00 H new ATOM 1520 N ASP X 91 97.147 2.316 -4.844 1.00 1.00 N ATOM 1521 CA ASP X 91 98.560 2.591 -4.601 1.00 1.00 C ATOM 1522 C ASP X 91 99.364 2.476 -5.893 1.00 1.00 C ATOM 1523 O ASP X 91 100.151 3.362 -6.224 1.00 1.00 O ATOM 1524 CB ASP X 91 99.117 1.602 -3.579 1.00 1.00 C ATOM 1525 CG ASP X 91 98.527 1.886 -2.203 1.00 1.00 C ATOM 1526 OD1 ASP X 91 97.984 2.964 -2.023 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.611 1.014 -1.353 1.00 1.00 O ATOM 0 H ASP X 91 96.773 1.517 -4.332 1.00 1.00 H new ATOM 0 HA ASP X 91 98.645 3.608 -4.217 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.880 0.582 -3.882 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.204 1.679 -3.541 1.00 1.00 H new