USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 95 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= 0 F(o=-6.4,f=-4.8) USER MOD Set 2.2: A 88 MET CE :methyl -142:sc= -4.83! (180deg=-6.55!) USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -161:sc= -0.269 (180deg=-1.6) USER MOD Single : A 29 MET CE :methyl -176:sc= 0 (180deg=-0.0379) USER MOD Single : A 30 HIS : no HE2:sc= -22.6! C(o=-23!,f=-23!) USER MOD Single : A 31 THR OG1 : rot -102:sc= -1.17 USER MOD Single : A 32 HIS : no HD1:sc= -0.593 X(o=-0.59,f=-0.31) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.905 USER MOD Single : A 47 SER OG : rot -106:sc= 0.0552 USER MOD Single : A 56 SER OG : rot 53:sc= 0.344 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HE2:sc= -0.737 K(o=-0.74,f=-6.2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.805 4.110 -14.604 1.00 0.00 N ATOM 60 CA GLY A 7 8.357 3.393 -13.422 1.00 0.00 C ATOM 61 C GLY A 7 7.247 2.400 -13.771 1.00 0.00 C ATOM 62 O GLY A 7 6.394 2.687 -14.610 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.197 2.862 -12.974 1.00 0.00 H new ATOM 0 HA3 GLY A 7 7.995 4.102 -12.678 1.00 0.00 H new ATOM 66 N TYR A 8 7.293 1.253 -13.110 1.00 0.00 N ATOM 67 CA TYR A 8 6.301 0.216 -13.340 1.00 0.00 C ATOM 68 C TYR A 8 5.388 0.050 -12.123 1.00 0.00 C ATOM 69 O TYR A 8 5.666 0.596 -11.056 1.00 0.00 O ATOM 70 CB TYR A 8 7.087 -1.079 -13.553 1.00 0.00 C ATOM 71 CG TYR A 8 8.063 -1.408 -12.422 1.00 0.00 C ATOM 72 CD1 TYR A 8 7.606 -2.023 -11.273 1.00 0.00 C ATOM 73 CD2 TYR A 8 9.400 -1.091 -12.550 1.00 0.00 C ATOM 74 CE1 TYR A 8 8.525 -2.333 -10.209 1.00 0.00 C ATOM 75 CE2 TYR A 8 10.319 -1.401 -11.486 1.00 0.00 C ATOM 76 CZ TYR A 8 9.836 -2.006 -10.367 1.00 0.00 C ATOM 77 OH TYR A 8 10.704 -2.299 -9.362 1.00 0.00 O ATOM 0 H TYR A 8 8.002 1.019 -12.415 1.00 0.00 H new ATOM 0 HA TYR A 8 5.672 0.469 -14.194 1.00 0.00 H new ATOM 0 HB2 TYR A 8 6.384 -1.905 -13.664 1.00 0.00 H new ATOM 0 HB3 TYR A 8 7.642 -1.005 -14.488 1.00 0.00 H new ATOM 0 HD1 TYR A 8 6.560 -2.271 -11.173 1.00 0.00 H new ATOM 0 HD2 TYR A 8 9.757 -0.610 -13.449 1.00 0.00 H new ATOM 0 HE1 TYR A 8 8.181 -2.814 -9.305 1.00 0.00 H new ATOM 0 HE2 TYR A 8 11.368 -1.159 -11.574 1.00 0.00 H new ATOM 0 HH TYR A 8 11.606 -2.010 -9.614 1.00 0.00 H new ATOM 87 N VAL A 9 4.318 -0.704 -12.324 1.00 0.00 N ATOM 88 CA VAL A 9 3.363 -0.949 -11.256 1.00 0.00 C ATOM 89 C VAL A 9 3.252 -2.455 -11.012 1.00 0.00 C ATOM 90 O VAL A 9 3.650 -3.255 -11.857 1.00 0.00 O ATOM 91 CB VAL A 9 2.021 -0.297 -11.595 1.00 0.00 C ATOM 92 CG1 VAL A 9 1.891 -0.062 -13.102 1.00 0.00 C ATOM 93 CG2 VAL A 9 0.856 -1.137 -11.068 1.00 0.00 C ATOM 0 H VAL A 9 4.091 -1.154 -13.211 1.00 0.00 H new ATOM 0 HA VAL A 9 3.704 -0.494 -10.326 1.00 0.00 H new ATOM 0 HB VAL A 9 1.985 0.674 -11.101 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.928 0.402 -13.316 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.693 0.595 -13.438 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.959 -1.015 -13.626 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.086 -0.652 -11.322 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.888 -2.128 -11.521 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.936 -1.231 -9.985 1.00 0.00 H new ATOM 103 N PHE A 10 2.709 -2.796 -9.852 1.00 0.00 N ATOM 104 CA PHE A 10 2.541 -4.192 -9.486 1.00 0.00 C ATOM 105 C PHE A 10 1.269 -4.392 -8.659 1.00 0.00 C ATOM 106 O PHE A 10 0.856 -3.497 -7.923 1.00 0.00 O ATOM 107 CB PHE A 10 3.753 -4.581 -8.639 1.00 0.00 C ATOM 108 CG PHE A 10 3.753 -3.973 -7.235 1.00 0.00 C ATOM 109 CD1 PHE A 10 4.213 -2.708 -7.043 1.00 0.00 C ATOM 110 CD2 PHE A 10 3.292 -4.697 -6.180 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.213 -2.143 -5.740 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.292 -4.132 -4.877 1.00 0.00 C ATOM 113 CZ PHE A 10 3.753 -2.867 -4.685 1.00 0.00 C ATOM 0 H PHE A 10 2.380 -2.129 -9.154 1.00 0.00 H new ATOM 0 HA PHE A 10 2.459 -4.805 -10.383 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.790 -5.667 -8.553 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.660 -4.271 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.578 -2.133 -7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.926 -5.701 -6.333 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.578 -1.138 -5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.926 -4.707 -4.039 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.754 -2.437 -3.694 1.00 0.00 H new ATOM 123 N THR A 11 0.685 -5.572 -8.807 1.00 0.00 N ATOM 124 CA THR A 11 -0.531 -5.901 -8.083 1.00 0.00 C ATOM 125 C THR A 11 -0.192 -6.567 -6.748 1.00 0.00 C ATOM 126 O THR A 11 0.896 -7.115 -6.582 1.00 0.00 O ATOM 127 CB THR A 11 -1.402 -6.770 -8.992 1.00 0.00 C ATOM 128 OG1 THR A 11 -1.731 -5.912 -10.081 1.00 0.00 O ATOM 129 CG2 THR A 11 -2.755 -7.105 -8.360 1.00 0.00 C ATOM 0 H THR A 11 1.031 -6.312 -9.418 1.00 0.00 H new ATOM 0 HA THR A 11 -1.096 -5.004 -7.829 1.00 0.00 H new ATOM 0 HB THR A 11 -0.873 -7.693 -9.228 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.294 -6.396 -10.721 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.334 -7.723 -9.046 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.597 -7.648 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.299 -6.183 -8.155 1.00 0.00 H new ATOM 137 N VAL A 12 -1.145 -6.498 -5.830 1.00 0.00 N ATOM 138 CA VAL A 12 -0.962 -7.088 -4.515 1.00 0.00 C ATOM 139 C VAL A 12 -2.272 -7.737 -4.064 1.00 0.00 C ATOM 140 O VAL A 12 -3.252 -7.044 -3.795 1.00 0.00 O ATOM 141 CB VAL A 12 -0.450 -6.031 -3.534 1.00 0.00 C ATOM 142 CG1 VAL A 12 0.496 -6.651 -2.504 1.00 0.00 C ATOM 143 CG2 VAL A 12 0.227 -4.877 -4.276 1.00 0.00 C ATOM 0 H VAL A 12 -2.047 -6.042 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.206 -7.873 -4.551 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.309 -5.627 -2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.845 -5.878 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.032 -7.422 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.350 -7.095 -3.015 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.582 -4.140 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.071 -5.259 -4.850 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.489 -4.409 -4.952 1.00 0.00 H new ATOM 153 N GLU A 13 -2.247 -9.060 -3.996 1.00 0.00 N ATOM 154 CA GLU A 13 -3.421 -9.810 -3.583 1.00 0.00 C ATOM 155 C GLU A 13 -3.186 -10.452 -2.214 1.00 0.00 C ATOM 156 O GLU A 13 -2.347 -11.341 -2.077 1.00 0.00 O ATOM 157 CB GLU A 13 -3.793 -10.865 -4.627 1.00 0.00 C ATOM 158 CG GLU A 13 -4.686 -10.269 -5.716 1.00 0.00 C ATOM 159 CD GLU A 13 -5.464 -11.364 -6.448 1.00 0.00 C ATOM 160 OE1 GLU A 13 -4.802 -12.319 -6.908 1.00 0.00 O ATOM 161 OE2 GLU A 13 -6.703 -11.221 -6.531 1.00 0.00 O ATOM 0 H GLU A 13 -1.432 -9.632 -4.220 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.259 -9.118 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -2.887 -11.271 -5.077 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.308 -11.695 -4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.383 -9.558 -5.271 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.076 -9.714 -6.428 1.00 0.00 H new ATOM 168 N LEU A 14 -3.942 -9.976 -1.236 1.00 0.00 N ATOM 169 CA LEU A 14 -3.827 -10.492 0.118 1.00 0.00 C ATOM 170 C LEU A 14 -5.199 -10.972 0.594 1.00 0.00 C ATOM 171 O LEU A 14 -6.209 -10.730 -0.065 1.00 0.00 O ATOM 172 CB LEU A 14 -3.187 -9.449 1.036 1.00 0.00 C ATOM 173 CG LEU A 14 -1.904 -8.796 0.517 1.00 0.00 C ATOM 174 CD1 LEU A 14 -2.005 -7.270 0.572 1.00 0.00 C ATOM 175 CD2 LEU A 14 -0.679 -9.316 1.272 1.00 0.00 C ATOM 0 H LEU A 14 -4.637 -9.239 -1.354 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.161 -11.355 0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.919 -8.664 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.969 -9.922 1.994 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.779 -9.074 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.080 -6.830 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.840 -6.938 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.166 -6.953 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.219 -8.836 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.782 -9.088 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.600 -10.395 1.138 1.00 0.00 H new ATOM 187 N GLU A 15 -5.191 -11.644 1.736 1.00 0.00 N ATOM 188 CA GLU A 15 -6.423 -12.160 2.309 1.00 0.00 C ATOM 189 C GLU A 15 -6.786 -11.383 3.576 1.00 0.00 C ATOM 190 O GLU A 15 -6.026 -11.377 4.543 1.00 0.00 O ATOM 191 CB GLU A 15 -6.307 -13.658 2.599 1.00 0.00 C ATOM 192 CG GLU A 15 -6.651 -14.485 1.358 1.00 0.00 C ATOM 193 CD GLU A 15 -5.825 -15.772 1.311 1.00 0.00 C ATOM 194 OE1 GLU A 15 -4.583 -15.647 1.245 1.00 0.00 O ATOM 195 OE2 GLU A 15 -6.454 -16.851 1.341 1.00 0.00 O ATOM 0 H GLU A 15 -4.351 -11.843 2.280 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.224 -12.025 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.294 -13.891 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.976 -13.927 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.713 -14.730 1.363 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.464 -13.896 0.460 1.00 0.00 H new ATOM 202 N ARG A 16 -7.947 -10.747 3.530 1.00 0.00 N ATOM 203 CA ARG A 16 -8.419 -9.968 4.662 1.00 0.00 C ATOM 204 C ARG A 16 -8.366 -10.806 5.941 1.00 0.00 C ATOM 205 O ARG A 16 -9.119 -11.767 6.090 1.00 0.00 O ATOM 206 CB ARG A 16 -9.853 -9.484 4.437 1.00 0.00 C ATOM 207 CG ARG A 16 -9.942 -7.961 4.553 1.00 0.00 C ATOM 208 CD ARG A 16 -11.265 -7.443 3.986 1.00 0.00 C ATOM 209 NE ARG A 16 -12.149 -7.002 5.088 1.00 0.00 N ATOM 210 CZ ARG A 16 -12.935 -7.824 5.796 1.00 0.00 C ATOM 211 NH1 ARG A 16 -12.952 -9.136 5.522 1.00 0.00 N ATOM 212 NH2 ARG A 16 -13.705 -7.335 6.778 1.00 0.00 N ATOM 0 H ARG A 16 -8.575 -10.755 2.726 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.766 -9.101 4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.196 -9.798 3.451 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.516 -9.947 5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.851 -7.667 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.109 -7.503 4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.078 -6.613 3.304 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.754 -8.227 3.408 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.161 -6.010 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.366 -9.509 4.774 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.550 -9.762 6.061 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.693 -6.337 6.987 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.303 -7.961 7.317 1.00 0.00 H new ATOM 226 N GLY A 17 -7.469 -10.410 6.832 1.00 0.00 N ATOM 227 CA GLY A 17 -7.308 -11.113 8.094 1.00 0.00 C ATOM 228 C GLY A 17 -8.452 -10.782 9.056 1.00 0.00 C ATOM 229 O GLY A 17 -9.387 -10.070 8.692 1.00 0.00 O ATOM 0 H GLY A 17 -6.846 -9.612 6.705 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.278 -12.188 7.915 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.356 -10.839 8.548 1.00 0.00 H new ATOM 233 N PRO A 18 -8.337 -11.329 10.295 1.00 0.00 N ATOM 234 CA PRO A 18 -9.350 -11.100 11.312 1.00 0.00 C ATOM 235 C PRO A 18 -9.239 -9.686 11.887 1.00 0.00 C ATOM 236 O PRO A 18 -10.084 -9.265 12.675 1.00 0.00 O ATOM 237 CB PRO A 18 -9.117 -12.184 12.351 1.00 0.00 C ATOM 238 CG PRO A 18 -7.703 -12.690 12.116 1.00 0.00 C ATOM 239 CD PRO A 18 -7.243 -12.177 10.761 1.00 0.00 C ATOM 0 HA PRO A 18 -10.364 -11.158 10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.227 -11.788 13.360 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -9.843 -12.990 12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.036 -12.339 12.903 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.679 -13.779 12.140 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.314 -11.614 10.845 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -7.056 -12.998 10.069 1.00 0.00 H new ATOM 247 N SER A 19 -8.189 -8.993 11.471 1.00 0.00 N ATOM 248 CA SER A 19 -7.957 -7.636 11.935 1.00 0.00 C ATOM 249 C SER A 19 -8.389 -6.635 10.862 1.00 0.00 C ATOM 250 O SER A 19 -8.689 -5.482 11.169 1.00 0.00 O ATOM 251 CB SER A 19 -6.486 -7.423 12.299 1.00 0.00 C ATOM 252 OG SER A 19 -5.925 -8.562 12.946 1.00 0.00 O ATOM 0 H SER A 19 -7.490 -9.346 10.818 1.00 0.00 H new ATOM 0 HA SER A 19 -8.553 -7.475 12.833 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.917 -7.203 11.396 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.396 -6.555 12.952 1.00 0.00 H new ATOM 0 HG SER A 19 -4.985 -8.387 13.160 1.00 0.00 H new ATOM 258 N GLY A 20 -8.406 -7.111 9.626 1.00 0.00 N ATOM 259 CA GLY A 20 -8.797 -6.272 8.506 1.00 0.00 C ATOM 260 C GLY A 20 -7.571 -5.799 7.722 1.00 0.00 C ATOM 261 O GLY A 20 -7.406 -4.603 7.483 1.00 0.00 O ATOM 0 H GLY A 20 -8.155 -8.067 9.375 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.463 -6.827 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.355 -5.410 8.870 1.00 0.00 H new ATOM 265 N LEU A 21 -6.743 -6.761 7.343 1.00 0.00 N ATOM 266 CA LEU A 21 -5.537 -6.458 6.591 1.00 0.00 C ATOM 267 C LEU A 21 -4.493 -5.852 7.532 1.00 0.00 C ATOM 268 O LEU A 21 -4.358 -6.285 8.676 1.00 0.00 O ATOM 269 CB LEU A 21 -5.865 -5.574 5.386 1.00 0.00 C ATOM 270 CG LEU A 21 -7.087 -5.988 4.564 1.00 0.00 C ATOM 271 CD1 LEU A 21 -7.965 -4.778 4.239 1.00 0.00 C ATOM 272 CD2 LEU A 21 -6.667 -6.746 3.303 1.00 0.00 C ATOM 0 H LEU A 21 -6.883 -7.751 7.543 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.105 -7.370 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.018 -4.554 5.739 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.997 -5.556 4.727 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.688 -6.670 5.165 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.827 -5.100 3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -8.307 -4.317 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.388 -4.053 3.665 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.554 -7.029 2.736 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.033 -6.107 2.689 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.115 -7.643 3.584 1.00 0.00 H new ATOM 284 N GLY A 22 -3.782 -4.861 7.016 1.00 0.00 N ATOM 285 CA GLY A 22 -2.755 -4.191 7.795 1.00 0.00 C ATOM 286 C GLY A 22 -1.989 -3.180 6.940 1.00 0.00 C ATOM 287 O GLY A 22 -0.873 -3.452 6.500 1.00 0.00 O ATOM 0 H GLY A 22 -3.897 -4.505 6.067 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.212 -3.682 8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.062 -4.928 8.200 1.00 0.00 H new ATOM 291 N MET A 23 -2.620 -2.033 6.730 1.00 0.00 N ATOM 292 CA MET A 23 -2.012 -0.979 5.936 1.00 0.00 C ATOM 293 C MET A 23 -2.492 0.399 6.394 1.00 0.00 C ATOM 294 O MET A 23 -3.694 0.636 6.507 1.00 0.00 O ATOM 295 CB MET A 23 -2.369 -1.181 4.462 1.00 0.00 C ATOM 296 CG MET A 23 -1.127 -1.526 3.638 1.00 0.00 C ATOM 297 SD MET A 23 -1.514 -1.471 1.897 1.00 0.00 S ATOM 298 CE MET A 23 -3.065 -2.354 1.896 1.00 0.00 C ATOM 0 H MET A 23 -3.546 -1.811 7.096 1.00 0.00 H new ATOM 0 HA MET A 23 -0.931 -1.028 6.067 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.105 -1.980 4.369 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.830 -0.275 4.069 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.325 -0.823 3.863 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.766 -2.519 3.907 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.282 -2.707 0.888 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.999 -3.206 2.572 1.00 0.00 H new ATOM 0 HE3 MET A 23 -3.863 -1.689 2.227 1.00 0.00 H new ATOM 308 N GLY A 24 -1.528 1.272 6.647 1.00 0.00 N ATOM 309 CA GLY A 24 -1.837 2.621 7.090 1.00 0.00 C ATOM 310 C GLY A 24 -1.842 3.598 5.913 1.00 0.00 C ATOM 311 O GLY A 24 -0.883 4.343 5.715 1.00 0.00 O ATOM 0 H GLY A 24 -0.532 1.071 6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.810 2.632 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.103 2.941 7.830 1.00 0.00 H new ATOM 315 N LEU A 25 -2.933 3.563 5.161 1.00 0.00 N ATOM 316 CA LEU A 25 -3.075 4.436 4.009 1.00 0.00 C ATOM 317 C LEU A 25 -3.424 5.848 4.484 1.00 0.00 C ATOM 318 O LEU A 25 -3.970 6.024 5.572 1.00 0.00 O ATOM 319 CB LEU A 25 -4.084 3.854 3.017 1.00 0.00 C ATOM 320 CG LEU A 25 -3.889 2.383 2.647 1.00 0.00 C ATOM 321 CD1 LEU A 25 -2.404 2.017 2.619 1.00 0.00 C ATOM 322 CD2 LEU A 25 -4.686 1.472 3.584 1.00 0.00 C ATOM 0 H LEU A 25 -3.726 2.944 5.328 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.133 4.506 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.084 3.974 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.047 4.446 2.103 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.278 2.229 1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.293 0.966 2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.891 2.634 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.968 2.190 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.530 0.431 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.350 1.622 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.746 1.713 3.511 1.00 0.00 H new ATOM 334 N ILE A 26 -3.094 6.819 3.645 1.00 0.00 N ATOM 335 CA ILE A 26 -3.365 8.210 3.965 1.00 0.00 C ATOM 336 C ILE A 26 -3.252 9.053 2.694 1.00 0.00 C ATOM 337 O ILE A 26 -2.458 8.742 1.807 1.00 0.00 O ATOM 338 CB ILE A 26 -2.457 8.685 5.101 1.00 0.00 C ATOM 339 CG1 ILE A 26 -2.741 10.146 5.456 1.00 0.00 C ATOM 340 CG2 ILE A 26 -0.984 8.454 4.759 1.00 0.00 C ATOM 341 CD1 ILE A 26 -2.753 10.350 6.972 1.00 0.00 C ATOM 0 H ILE A 26 -2.641 6.670 2.743 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.384 8.324 4.334 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.679 8.090 5.987 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.984 10.787 5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.702 10.445 5.038 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.360 8.800 5.583 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.811 7.390 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.730 9.006 3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.957 11.397 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.528 9.726 7.417 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.783 10.073 7.384 1.00 0.00 H new ATOM 353 N ASP A 27 -4.057 10.105 2.645 1.00 0.00 N ATOM 354 CA ASP A 27 -4.056 10.995 1.497 1.00 0.00 C ATOM 355 C ASP A 27 -2.765 11.815 1.494 1.00 0.00 C ATOM 356 O ASP A 27 -2.146 12.009 2.539 1.00 0.00 O ATOM 357 CB ASP A 27 -5.235 11.969 1.556 1.00 0.00 C ATOM 358 CG ASP A 27 -5.230 12.919 2.755 1.00 0.00 C ATOM 359 OD1 ASP A 27 -4.182 12.971 3.434 1.00 0.00 O ATOM 360 OD2 ASP A 27 -6.276 13.571 2.967 1.00 0.00 O ATOM 0 H ASP A 27 -4.714 10.360 3.382 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.136 10.386 0.597 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.243 12.562 0.642 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -6.161 11.394 1.571 1.00 0.00 H new ATOM 365 N GLY A 28 -2.397 12.275 0.307 1.00 0.00 N ATOM 366 CA GLY A 28 -1.190 13.070 0.154 1.00 0.00 C ATOM 367 C GLY A 28 -1.458 14.542 0.475 1.00 0.00 C ATOM 368 O GLY A 28 -0.910 15.432 -0.172 1.00 0.00 O ATOM 0 H GLY A 28 -2.913 12.112 -0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.412 12.686 0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.817 12.979 -0.866 1.00 0.00 H new ATOM 372 N MET A 29 -2.302 14.751 1.475 1.00 0.00 N ATOM 373 CA MET A 29 -2.650 16.100 1.890 1.00 0.00 C ATOM 374 C MET A 29 -1.902 16.490 3.167 1.00 0.00 C ATOM 375 O MET A 29 -1.261 17.539 3.219 1.00 0.00 O ATOM 376 CB MET A 29 -4.158 16.186 2.135 1.00 0.00 C ATOM 377 CG MET A 29 -4.939 15.618 0.949 1.00 0.00 C ATOM 378 SD MET A 29 -4.194 16.150 -0.584 1.00 0.00 S ATOM 379 CE MET A 29 -4.641 17.878 -0.563 1.00 0.00 C ATOM 0 H MET A 29 -2.755 14.010 2.010 1.00 0.00 H new ATOM 0 HA MET A 29 -2.362 16.790 1.097 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.415 15.637 3.041 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.445 17.225 2.300 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.951 14.529 0.999 1.00 0.00 H new ATOM 0 HG3 MET A 29 -5.976 15.950 0.993 1.00 0.00 H new ATOM 0 HE1 MET A 29 -4.313 18.350 -1.489 1.00 0.00 H new ATOM 0 HE2 MET A 29 -5.723 17.973 -0.470 1.00 0.00 H new ATOM 0 HE3 MET A 29 -4.160 18.368 0.284 1.00 0.00 H new ATOM 389 N HIS A 30 -2.008 15.625 4.165 1.00 0.00 N ATOM 390 CA HIS A 30 -1.350 15.867 5.438 1.00 0.00 C ATOM 391 C HIS A 30 0.147 15.582 5.303 1.00 0.00 C ATOM 392 O HIS A 30 0.962 16.178 6.006 1.00 0.00 O ATOM 393 CB HIS A 30 -2.011 15.054 6.553 1.00 0.00 C ATOM 394 CG HIS A 30 -1.407 13.685 6.756 1.00 0.00 C ATOM 395 ND1 HIS A 30 -1.099 13.179 8.007 1.00 0.00 N ATOM 396 CD2 HIS A 30 -1.059 12.722 5.855 1.00 0.00 C ATOM 397 CE1 HIS A 30 -0.589 11.966 7.853 1.00 0.00 C ATOM 398 NE2 HIS A 30 -0.564 11.685 6.519 1.00 0.00 N ATOM 0 H HIS A 30 -2.540 14.756 4.118 1.00 0.00 H new ATOM 0 HA HIS A 30 -1.461 16.915 5.717 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.941 15.613 7.486 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -3.071 14.942 6.327 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -1.241 13.658 8.896 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -1.168 12.792 4.783 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.252 11.314 8.645 1.00 0.00 H new ATOM 406 N THR A 31 0.464 14.670 4.396 1.00 0.00 N ATOM 407 CA THR A 31 1.849 14.299 4.161 1.00 0.00 C ATOM 408 C THR A 31 2.535 15.334 3.268 1.00 0.00 C ATOM 409 O THR A 31 1.869 16.068 2.538 1.00 0.00 O ATOM 410 CB THR A 31 1.867 12.885 3.575 1.00 0.00 C ATOM 411 OG1 THR A 31 0.872 12.919 2.556 1.00 0.00 O ATOM 412 CG2 THR A 31 1.352 11.836 4.563 1.00 0.00 C ATOM 0 H THR A 31 -0.214 14.177 3.815 1.00 0.00 H new ATOM 0 HA THR A 31 2.418 14.289 5.091 1.00 0.00 H new ATOM 0 HB THR A 31 2.882 12.631 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.054 12.491 2.883 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.386 10.851 4.098 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.978 11.838 5.455 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.325 12.071 4.841 1.00 0.00 H new ATOM 420 N HIS A 32 3.856 15.361 3.354 1.00 0.00 N ATOM 421 CA HIS A 32 4.639 16.295 2.563 1.00 0.00 C ATOM 422 C HIS A 32 4.174 16.250 1.106 1.00 0.00 C ATOM 423 O HIS A 32 4.365 17.208 0.359 1.00 0.00 O ATOM 424 CB HIS A 32 6.136 16.015 2.716 1.00 0.00 C ATOM 425 CG HIS A 32 6.889 17.092 3.459 1.00 0.00 C ATOM 426 ND1 HIS A 32 8.185 16.923 3.913 1.00 0.00 N ATOM 427 CD2 HIS A 32 6.516 18.354 3.820 1.00 0.00 C ATOM 428 CE1 HIS A 32 8.565 18.038 4.520 1.00 0.00 C ATOM 429 NE2 HIS A 32 7.528 18.923 4.462 1.00 0.00 N ATOM 0 H HIS A 32 4.405 14.751 3.960 1.00 0.00 H new ATOM 0 HA HIS A 32 4.479 17.309 2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.266 15.068 3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.576 15.895 1.726 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.559 18.812 3.617 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.526 18.215 4.980 1.00 0.00 H new ATOM 0 HE2 HIS A 32 7.530 19.867 4.849 1.00 0.00 H new ATOM 437 N LEU A 33 3.570 15.127 0.746 1.00 0.00 N ATOM 438 CA LEU A 33 3.076 14.944 -0.608 1.00 0.00 C ATOM 439 C LEU A 33 2.460 16.254 -1.103 1.00 0.00 C ATOM 440 O LEU A 33 2.906 16.816 -2.102 1.00 0.00 O ATOM 441 CB LEU A 33 2.119 13.752 -0.673 1.00 0.00 C ATOM 442 CG LEU A 33 2.221 12.877 -1.924 1.00 0.00 C ATOM 443 CD1 LEU A 33 3.647 12.357 -2.114 1.00 0.00 C ATOM 444 CD2 LEU A 33 1.197 11.740 -1.883 1.00 0.00 C ATOM 0 H LEU A 33 3.412 14.335 1.369 1.00 0.00 H new ATOM 0 HA LEU A 33 3.897 14.702 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.293 13.124 0.201 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.098 14.127 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 33 1.984 13.493 -2.792 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.692 11.738 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.330 13.200 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.936 11.762 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.291 11.133 -2.784 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.378 11.118 -1.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.192 12.158 -1.830 1.00 0.00 H new ATOM 456 N GLY A 34 1.445 16.704 -0.380 1.00 0.00 N ATOM 457 CA GLY A 34 0.763 17.938 -0.733 1.00 0.00 C ATOM 458 C GLY A 34 -0.127 17.741 -1.961 1.00 0.00 C ATOM 459 O GLY A 34 -0.542 18.710 -2.594 1.00 0.00 O ATOM 0 H GLY A 34 1.078 16.236 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.158 18.277 0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.497 18.719 -0.933 1.00 0.00 H new ATOM 463 N ALA A 35 -0.394 16.478 -2.262 1.00 0.00 N ATOM 464 CA ALA A 35 -1.228 16.141 -3.404 1.00 0.00 C ATOM 465 C ALA A 35 -2.299 15.138 -2.969 1.00 0.00 C ATOM 466 O ALA A 35 -2.033 14.254 -2.157 1.00 0.00 O ATOM 467 CB ALA A 35 -0.350 15.604 -4.536 1.00 0.00 C ATOM 0 H ALA A 35 -0.048 15.676 -1.735 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.740 17.026 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.975 15.351 -5.393 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.374 16.365 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.177 14.713 -4.196 1.00 0.00 H new ATOM 473 N PRO A 36 -3.518 15.315 -3.545 1.00 0.00 N ATOM 474 CA PRO A 36 -4.630 14.436 -3.226 1.00 0.00 C ATOM 475 C PRO A 36 -4.467 13.075 -3.907 1.00 0.00 C ATOM 476 O PRO A 36 -4.186 13.006 -5.103 1.00 0.00 O ATOM 477 CB PRO A 36 -5.870 15.186 -3.687 1.00 0.00 C ATOM 478 CG PRO A 36 -5.378 16.243 -4.662 1.00 0.00 C ATOM 479 CD PRO A 36 -3.870 16.352 -4.511 1.00 0.00 C ATOM 0 HA PRO A 36 -4.692 14.206 -2.162 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -6.579 14.511 -4.167 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -6.387 15.643 -2.843 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -5.640 15.971 -5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.852 17.202 -4.456 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -3.364 16.194 -5.464 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.578 17.340 -4.155 1.00 0.00 H new ATOM 487 N GLY A 37 -4.650 12.028 -3.117 1.00 0.00 N ATOM 488 CA GLY A 37 -4.527 10.674 -3.629 1.00 0.00 C ATOM 489 C GLY A 37 -4.495 9.656 -2.486 1.00 0.00 C ATOM 490 O GLY A 37 -4.918 9.957 -1.371 1.00 0.00 O ATOM 0 H GLY A 37 -4.883 12.090 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.364 10.455 -4.293 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.617 10.587 -4.223 1.00 0.00 H new ATOM 494 N LEU A 38 -3.991 8.473 -2.804 1.00 0.00 N ATOM 495 CA LEU A 38 -3.899 7.410 -1.818 1.00 0.00 C ATOM 496 C LEU A 38 -2.480 6.837 -1.822 1.00 0.00 C ATOM 497 O LEU A 38 -1.875 6.677 -2.881 1.00 0.00 O ATOM 498 CB LEU A 38 -4.986 6.360 -2.059 1.00 0.00 C ATOM 499 CG LEU A 38 -5.867 6.018 -0.856 1.00 0.00 C ATOM 500 CD1 LEU A 38 -5.147 5.061 0.096 1.00 0.00 C ATOM 501 CD2 LEU A 38 -6.339 7.287 -0.143 1.00 0.00 C ATOM 0 H LEU A 38 -3.642 8.227 -3.730 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.082 7.802 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.629 6.710 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.508 5.444 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.756 5.503 -1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.795 4.834 0.943 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.902 4.139 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.230 5.527 0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.963 7.015 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.474 7.851 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.916 7.900 -0.835 1.00 0.00 H new ATOM 513 N TYR A 39 -1.991 6.546 -0.626 1.00 0.00 N ATOM 514 CA TYR A 39 -0.654 5.995 -0.478 1.00 0.00 C ATOM 515 C TYR A 39 -0.501 5.281 0.866 1.00 0.00 C ATOM 516 O TYR A 39 -1.263 5.534 1.798 1.00 0.00 O ATOM 517 CB TYR A 39 0.301 7.189 -0.520 1.00 0.00 C ATOM 518 CG TYR A 39 -0.066 8.243 -1.567 1.00 0.00 C ATOM 519 CD1 TYR A 39 -0.957 9.249 -1.251 1.00 0.00 C ATOM 520 CD2 TYR A 39 0.495 8.189 -2.827 1.00 0.00 C ATOM 521 CE1 TYR A 39 -1.302 10.240 -2.236 1.00 0.00 C ATOM 522 CE2 TYR A 39 0.150 9.181 -3.812 1.00 0.00 C ATOM 523 CZ TYR A 39 -0.732 10.158 -3.468 1.00 0.00 C ATOM 524 OH TYR A 39 -1.058 11.095 -4.399 1.00 0.00 O ATOM 0 H TYR A 39 -2.496 6.681 0.250 1.00 0.00 H new ATOM 0 HA TYR A 39 -0.449 5.268 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 39 0.321 7.660 0.463 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.309 6.828 -0.721 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -1.395 9.292 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.193 7.403 -3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.998 11.032 -2.002 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.582 9.150 -4.802 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.574 10.911 -5.231 1.00 0.00 H new ATOM 534 N ILE A 40 0.490 4.404 0.924 1.00 0.00 N ATOM 535 CA ILE A 40 0.753 3.652 2.139 1.00 0.00 C ATOM 536 C ILE A 40 1.579 4.512 3.098 1.00 0.00 C ATOM 537 O ILE A 40 2.492 5.218 2.674 1.00 0.00 O ATOM 538 CB ILE A 40 1.402 2.306 1.807 1.00 0.00 C ATOM 539 CG1 ILE A 40 0.536 1.506 0.832 1.00 0.00 C ATOM 540 CG2 ILE A 40 1.711 1.517 3.081 1.00 0.00 C ATOM 541 CD1 ILE A 40 1.131 0.119 0.582 1.00 0.00 C ATOM 0 H ILE A 40 1.121 4.197 0.149 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.181 3.413 2.648 1.00 0.00 H new ATOM 0 HB ILE A 40 2.353 2.498 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.472 1.406 1.233 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.452 2.045 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.171 0.565 2.817 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.395 2.090 3.707 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.787 1.333 3.628 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.496 -0.429 -0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.130 0.223 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.191 -0.426 1.524 1.00 0.00 H new ATOM 553 N GLN A 41 1.228 4.425 4.373 1.00 0.00 N ATOM 554 CA GLN A 41 1.925 5.187 5.395 1.00 0.00 C ATOM 555 C GLN A 41 2.632 4.243 6.370 1.00 0.00 C ATOM 556 O GLN A 41 3.754 4.514 6.797 1.00 0.00 O ATOM 557 CB GLN A 41 0.963 6.119 6.135 1.00 0.00 C ATOM 558 CG GLN A 41 1.713 7.300 6.754 1.00 0.00 C ATOM 559 CD GLN A 41 1.290 7.516 8.209 1.00 0.00 C ATOM 560 OE1 GLN A 41 2.080 7.421 9.133 1.00 0.00 O ATOM 561 NE2 GLN A 41 0.002 7.811 8.359 1.00 0.00 N ATOM 0 H GLN A 41 0.470 3.838 4.721 1.00 0.00 H new ATOM 0 HA GLN A 41 2.678 5.807 4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.204 6.487 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.442 5.565 6.916 1.00 0.00 H new ATOM 0 HG2 GLN A 41 2.787 7.119 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 41 1.517 8.203 6.176 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.605 7.875 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.379 7.973 9.291 1.00 0.00 H new ATOM 570 N THR A 42 1.948 3.156 6.693 1.00 0.00 N ATOM 571 CA THR A 42 2.498 2.171 7.609 1.00 0.00 C ATOM 572 C THR A 42 2.013 0.768 7.237 1.00 0.00 C ATOM 573 O THR A 42 1.059 0.618 6.476 1.00 0.00 O ATOM 574 CB THR A 42 2.120 2.587 9.032 1.00 0.00 C ATOM 575 OG1 THR A 42 0.863 3.241 8.881 1.00 0.00 O ATOM 576 CG2 THR A 42 3.041 3.675 9.588 1.00 0.00 C ATOM 0 H THR A 42 1.018 2.935 6.337 1.00 0.00 H new ATOM 0 HA THR A 42 3.585 2.133 7.544 1.00 0.00 H new ATOM 0 HB THR A 42 2.152 1.715 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.543 3.542 9.757 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.729 3.934 10.600 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.067 3.308 9.607 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.984 4.559 8.954 1.00 0.00 H new ATOM 584 N LEU A 43 2.694 -0.224 7.792 1.00 0.00 N ATOM 585 CA LEU A 43 2.345 -1.610 7.529 1.00 0.00 C ATOM 586 C LEU A 43 2.063 -2.321 8.854 1.00 0.00 C ATOM 587 O LEU A 43 2.990 -2.734 9.550 1.00 0.00 O ATOM 588 CB LEU A 43 3.429 -2.285 6.686 1.00 0.00 C ATOM 589 CG LEU A 43 3.152 -2.375 5.184 1.00 0.00 C ATOM 590 CD1 LEU A 43 1.902 -3.212 4.907 1.00 0.00 C ATOM 591 CD2 LEU A 43 3.060 -0.982 4.559 1.00 0.00 C ATOM 0 H LEU A 43 3.485 -0.096 8.423 1.00 0.00 H new ATOM 0 HA LEU A 43 1.432 -1.667 6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.364 -1.744 6.831 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.583 -3.294 7.068 1.00 0.00 H new ATOM 0 HG LEU A 43 3.992 -2.884 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.727 -3.260 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.045 -4.220 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.042 -2.753 5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.863 -1.075 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.251 -0.424 5.031 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.001 -0.453 4.709 1.00 0.00 H new ATOM 603 N LEU A 44 0.781 -2.444 9.162 1.00 0.00 N ATOM 604 CA LEU A 44 0.366 -3.098 10.391 1.00 0.00 C ATOM 605 C LEU A 44 1.250 -4.323 10.636 1.00 0.00 C ATOM 606 O LEU A 44 1.623 -5.022 9.695 1.00 0.00 O ATOM 607 CB LEU A 44 -1.130 -3.419 10.350 1.00 0.00 C ATOM 608 CG LEU A 44 -1.863 -3.373 11.692 1.00 0.00 C ATOM 609 CD1 LEU A 44 -3.257 -2.763 11.534 1.00 0.00 C ATOM 610 CD2 LEU A 44 -1.913 -4.760 12.336 1.00 0.00 C ATOM 0 H LEU A 44 0.015 -2.102 8.582 1.00 0.00 H new ATOM 0 HA LEU A 44 0.502 -2.430 11.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.613 -2.717 9.670 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.256 -4.414 9.924 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.303 -2.725 12.366 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.757 -2.742 12.502 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.168 -1.747 11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.841 -3.365 10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.439 -4.700 13.289 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.437 -5.450 11.675 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.898 -5.120 12.504 1.00 0.00 H new ATOM 622 N PRO A 45 1.569 -4.551 11.938 1.00 0.00 N ATOM 623 CA PRO A 45 2.403 -5.678 12.318 1.00 0.00 C ATOM 624 C PRO A 45 1.618 -6.990 12.245 1.00 0.00 C ATOM 625 O PRO A 45 0.389 -6.985 12.292 1.00 0.00 O ATOM 626 CB PRO A 45 2.888 -5.354 13.722 1.00 0.00 C ATOM 627 CG PRO A 45 1.942 -4.289 14.253 1.00 0.00 C ATOM 628 CD PRO A 45 1.146 -3.744 13.079 1.00 0.00 C ATOM 0 HA PRO A 45 3.247 -5.823 11.643 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.873 -6.241 14.355 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.916 -4.991 13.706 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.274 -4.712 15.003 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.502 -3.489 14.739 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.074 -3.834 13.252 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.355 -2.687 12.916 1.00 0.00 H new ATOM 636 N GLY A 46 2.361 -8.081 12.130 1.00 0.00 N ATOM 637 CA GLY A 46 1.750 -9.397 12.050 1.00 0.00 C ATOM 638 C GLY A 46 0.537 -9.382 11.118 1.00 0.00 C ATOM 639 O GLY A 46 -0.383 -10.183 11.278 1.00 0.00 O ATOM 0 H GLY A 46 3.380 -8.081 12.090 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.481 -10.120 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.445 -9.721 13.045 1.00 0.00 H new ATOM 643 N SER A 47 0.574 -8.463 10.164 1.00 0.00 N ATOM 644 CA SER A 47 -0.510 -8.334 9.207 1.00 0.00 C ATOM 645 C SER A 47 -0.116 -8.981 7.878 1.00 0.00 C ATOM 646 O SER A 47 1.038 -9.364 7.689 1.00 0.00 O ATOM 647 CB SER A 47 -0.883 -6.865 8.991 1.00 0.00 C ATOM 648 OG SER A 47 -0.286 -6.331 7.813 1.00 0.00 O ATOM 0 H SER A 47 1.339 -7.801 10.034 1.00 0.00 H new ATOM 0 HA SER A 47 -1.383 -8.848 9.609 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.967 -6.772 8.922 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.567 -6.280 9.855 1.00 0.00 H new ATOM 0 HG SER A 47 0.448 -5.731 8.061 1.00 0.00 H new ATOM 654 N PRO A 48 -1.121 -9.087 6.969 1.00 0.00 N ATOM 655 CA PRO A 48 -0.891 -9.682 5.663 1.00 0.00 C ATOM 656 C PRO A 48 -0.121 -8.723 4.752 1.00 0.00 C ATOM 657 O PRO A 48 0.885 -9.103 4.155 1.00 0.00 O ATOM 658 CB PRO A 48 -2.275 -10.020 5.135 1.00 0.00 C ATOM 659 CG PRO A 48 -3.248 -9.185 5.951 1.00 0.00 C ATOM 660 CD PRO A 48 -2.500 -8.644 7.158 1.00 0.00 C ATOM 0 HA PRO A 48 -0.269 -10.576 5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -2.356 -9.787 4.073 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.486 -11.084 5.245 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.646 -8.367 5.350 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.097 -9.790 6.268 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -2.563 -7.557 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.916 -9.031 8.088 1.00 0.00 H new ATOM 668 N ALA A 49 -0.623 -7.500 4.674 1.00 0.00 N ATOM 669 CA ALA A 49 0.005 -6.484 3.846 1.00 0.00 C ATOM 670 C ALA A 49 1.488 -6.382 4.209 1.00 0.00 C ATOM 671 O ALA A 49 2.353 -6.561 3.353 1.00 0.00 O ATOM 672 CB ALA A 49 -0.732 -5.155 4.023 1.00 0.00 C ATOM 0 H ALA A 49 -1.458 -7.189 5.171 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.058 -6.754 2.792 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -0.261 -4.393 3.402 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.774 -5.274 3.725 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -0.687 -4.850 5.069 1.00 0.00 H new ATOM 678 N ALA A 50 1.735 -6.095 5.478 1.00 0.00 N ATOM 679 CA ALA A 50 3.099 -5.967 5.964 1.00 0.00 C ATOM 680 C ALA A 50 3.893 -7.215 5.576 1.00 0.00 C ATOM 681 O ALA A 50 5.048 -7.117 5.165 1.00 0.00 O ATOM 682 CB ALA A 50 3.082 -5.733 7.476 1.00 0.00 C ATOM 0 H ALA A 50 1.014 -5.947 6.185 1.00 0.00 H new ATOM 0 HA ALA A 50 3.591 -5.108 5.507 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.105 -5.637 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.531 -4.819 7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.598 -6.576 7.969 1.00 0.00 H new ATOM 688 N ALA A 51 3.243 -8.360 5.720 1.00 0.00 N ATOM 689 CA ALA A 51 3.874 -9.627 5.390 1.00 0.00 C ATOM 690 C ALA A 51 4.191 -9.659 3.893 1.00 0.00 C ATOM 691 O ALA A 51 5.196 -10.235 3.480 1.00 0.00 O ATOM 692 CB ALA A 51 2.962 -10.779 5.817 1.00 0.00 C ATOM 0 H ALA A 51 2.285 -8.437 6.061 1.00 0.00 H new ATOM 0 HA ALA A 51 4.815 -9.739 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.436 -11.729 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.791 -10.728 6.892 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.009 -10.702 5.294 1.00 0.00 H new ATOM 698 N ASP A 52 3.315 -9.031 3.122 1.00 0.00 N ATOM 699 CA ASP A 52 3.489 -8.980 1.680 1.00 0.00 C ATOM 700 C ASP A 52 4.932 -8.587 1.359 1.00 0.00 C ATOM 701 O ASP A 52 5.528 -9.112 0.419 1.00 0.00 O ATOM 702 CB ASP A 52 2.563 -7.938 1.050 1.00 0.00 C ATOM 703 CG ASP A 52 2.374 -8.071 -0.462 1.00 0.00 C ATOM 704 OD1 ASP A 52 1.792 -9.098 -0.873 1.00 0.00 O ATOM 705 OD2 ASP A 52 2.816 -7.143 -1.173 1.00 0.00 O ATOM 0 H ASP A 52 2.483 -8.553 3.469 1.00 0.00 H new ATOM 0 HA ASP A 52 3.251 -9.964 1.276 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.587 -8.004 1.530 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.958 -6.945 1.266 1.00 0.00 H new ATOM 710 N GLY A 53 5.452 -7.666 2.157 1.00 0.00 N ATOM 711 CA GLY A 53 6.814 -7.195 1.969 1.00 0.00 C ATOM 712 C GLY A 53 6.887 -6.160 0.845 1.00 0.00 C ATOM 713 O GLY A 53 7.374 -5.049 1.049 1.00 0.00 O ATOM 0 H GLY A 53 4.955 -7.233 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.182 -6.756 2.896 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.465 -8.038 1.735 1.00 0.00 H new ATOM 717 N ARG A 54 6.394 -6.560 -0.318 1.00 0.00 N ATOM 718 CA ARG A 54 6.396 -5.681 -1.475 1.00 0.00 C ATOM 719 C ARG A 54 5.799 -4.320 -1.109 1.00 0.00 C ATOM 720 O ARG A 54 6.378 -3.280 -1.420 1.00 0.00 O ATOM 721 CB ARG A 54 5.596 -6.287 -2.630 1.00 0.00 C ATOM 722 CG ARG A 54 6.302 -6.054 -3.967 1.00 0.00 C ATOM 723 CD ARG A 54 6.626 -4.572 -4.166 1.00 0.00 C ATOM 724 NE ARG A 54 7.226 -4.360 -5.502 1.00 0.00 N ATOM 725 CZ ARG A 54 8.511 -4.601 -5.796 1.00 0.00 C ATOM 726 NH1 ARG A 54 9.339 -5.063 -4.849 1.00 0.00 N ATOM 727 NH2 ARG A 54 8.968 -4.379 -7.036 1.00 0.00 N ATOM 0 H ARG A 54 5.990 -7.482 -0.484 1.00 0.00 H new ATOM 0 HA ARG A 54 7.431 -5.554 -1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.466 -7.357 -2.465 1.00 0.00 H new ATOM 0 HB3 ARG A 54 4.600 -5.845 -2.659 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.221 -6.639 -4.004 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.669 -6.404 -4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.718 -3.976 -4.067 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.315 -4.235 -3.391 1.00 0.00 H new ATOM 0 HE ARG A 54 6.623 -4.008 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.991 -5.231 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.317 -5.247 -5.072 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.338 -4.026 -7.756 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.946 -4.563 -7.259 1.00 0.00 H new ATOM 741 N LEU A 55 4.649 -4.372 -0.453 1.00 0.00 N ATOM 742 CA LEU A 55 3.968 -3.157 -0.041 1.00 0.00 C ATOM 743 C LEU A 55 4.916 -2.308 0.809 1.00 0.00 C ATOM 744 O LEU A 55 5.155 -2.618 1.975 1.00 0.00 O ATOM 745 CB LEU A 55 2.649 -3.493 0.659 1.00 0.00 C ATOM 746 CG LEU A 55 1.513 -3.972 -0.247 1.00 0.00 C ATOM 747 CD1 LEU A 55 0.481 -4.777 0.547 1.00 0.00 C ATOM 748 CD2 LEU A 55 0.874 -2.799 -0.993 1.00 0.00 C ATOM 0 H LEU A 55 4.172 -5.236 -0.197 1.00 0.00 H new ATOM 0 HA LEU A 55 3.698 -2.559 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.842 -4.264 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.310 -2.608 1.197 1.00 0.00 H new ATOM 0 HG LEU A 55 1.934 -4.640 -0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.316 -5.106 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.963 -5.647 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.060 -4.152 1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.070 -3.168 -1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.470 -2.087 -0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.627 -2.306 -1.608 1.00 0.00 H new ATOM 760 N SER A 56 5.430 -1.254 0.192 1.00 0.00 N ATOM 761 CA SER A 56 6.346 -0.359 0.877 1.00 0.00 C ATOM 762 C SER A 56 5.609 0.906 1.321 1.00 0.00 C ATOM 763 O SER A 56 4.468 1.136 0.921 1.00 0.00 O ATOM 764 CB SER A 56 7.533 0.005 -0.018 1.00 0.00 C ATOM 765 OG SER A 56 8.299 -1.141 -0.380 1.00 0.00 O ATOM 0 H SER A 56 5.229 -1.000 -0.775 1.00 0.00 H new ATOM 0 HA SER A 56 6.733 -0.874 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.170 0.498 -0.920 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.172 0.720 0.500 1.00 0.00 H new ATOM 0 HG SER A 56 7.707 -1.823 -0.760 1.00 0.00 H new ATOM 771 N LEU A 57 6.290 1.693 2.140 1.00 0.00 N ATOM 772 CA LEU A 57 5.713 2.928 2.642 1.00 0.00 C ATOM 773 C LEU A 57 5.882 4.028 1.593 1.00 0.00 C ATOM 774 O LEU A 57 6.966 4.201 1.038 1.00 0.00 O ATOM 775 CB LEU A 57 6.311 3.283 4.006 1.00 0.00 C ATOM 776 CG LEU A 57 6.275 2.176 5.062 1.00 0.00 C ATOM 777 CD1 LEU A 57 6.456 2.753 6.467 1.00 0.00 C ATOM 778 CD2 LEU A 57 4.996 1.346 4.943 1.00 0.00 C ATOM 0 H LEU A 57 7.236 1.500 2.469 1.00 0.00 H new ATOM 0 HA LEU A 57 4.643 2.808 2.810 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.348 3.584 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.780 4.150 4.399 1.00 0.00 H new ATOM 0 HG LEU A 57 7.113 1.503 4.880 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.426 1.945 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.417 3.264 6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.654 3.461 6.676 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.996 0.567 5.705 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.129 1.991 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.950 0.888 3.955 1.00 0.00 H new ATOM 790 N GLY A 58 4.793 4.744 1.352 1.00 0.00 N ATOM 791 CA GLY A 58 4.807 5.823 0.378 1.00 0.00 C ATOM 792 C GLY A 58 4.130 5.394 -0.925 1.00 0.00 C ATOM 793 O GLY A 58 3.657 6.234 -1.689 1.00 0.00 O ATOM 0 H GLY A 58 3.895 4.598 1.814 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.296 6.694 0.788 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.836 6.122 0.176 1.00 0.00 H new ATOM 797 N ASP A 59 4.104 4.087 -1.139 1.00 0.00 N ATOM 798 CA ASP A 59 3.492 3.536 -2.336 1.00 0.00 C ATOM 799 C ASP A 59 2.168 4.254 -2.603 1.00 0.00 C ATOM 800 O ASP A 59 1.589 4.853 -1.698 1.00 0.00 O ATOM 801 CB ASP A 59 3.196 2.045 -2.167 1.00 0.00 C ATOM 802 CG ASP A 59 4.424 1.134 -2.196 1.00 0.00 C ATOM 803 OD1 ASP A 59 5.483 1.623 -2.645 1.00 0.00 O ATOM 804 OD2 ASP A 59 4.277 -0.032 -1.768 1.00 0.00 O ATOM 0 H ASP A 59 4.497 3.393 -0.503 1.00 0.00 H new ATOM 0 HA ASP A 59 4.187 3.674 -3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.676 1.898 -1.220 1.00 0.00 H new ATOM 0 HB3 ASP A 59 2.513 1.734 -2.957 1.00 0.00 H new ATOM 809 N ARG A 60 1.727 4.170 -3.850 1.00 0.00 N ATOM 810 CA ARG A 60 0.482 4.805 -4.247 1.00 0.00 C ATOM 811 C ARG A 60 -0.484 3.765 -4.820 1.00 0.00 C ATOM 812 O ARG A 60 -0.160 3.077 -5.787 1.00 0.00 O ATOM 813 CB ARG A 60 0.728 5.893 -5.294 1.00 0.00 C ATOM 814 CG ARG A 60 -0.579 6.592 -5.676 1.00 0.00 C ATOM 815 CD ARG A 60 -0.381 7.497 -6.894 1.00 0.00 C ATOM 816 NE ARG A 60 -1.234 8.701 -6.773 1.00 0.00 N ATOM 817 CZ ARG A 60 -1.563 9.494 -7.802 1.00 0.00 C ATOM 818 NH1 ARG A 60 -1.114 9.216 -9.033 1.00 0.00 N ATOM 819 NH2 ARG A 60 -2.343 10.565 -7.599 1.00 0.00 N ATOM 0 H ARG A 60 2.210 3.672 -4.598 1.00 0.00 H new ATOM 0 HA ARG A 60 0.045 5.263 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.435 6.625 -4.904 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.182 5.453 -6.182 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.344 5.847 -5.893 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.939 7.183 -4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.666 7.789 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.631 6.954 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.593 8.942 -5.849 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.521 8.400 -9.188 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.365 9.820 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.686 10.776 -6.662 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.594 11.169 -8.382 1.00 0.00 H new ATOM 833 N ILE A 61 -1.652 3.684 -4.200 1.00 0.00 N ATOM 834 CA ILE A 61 -2.667 2.741 -4.635 1.00 0.00 C ATOM 835 C ILE A 61 -3.355 3.282 -5.890 1.00 0.00 C ATOM 836 O ILE A 61 -3.513 4.492 -6.043 1.00 0.00 O ATOM 837 CB ILE A 61 -3.633 2.426 -3.491 1.00 0.00 C ATOM 838 CG1 ILE A 61 -2.876 2.186 -2.184 1.00 0.00 C ATOM 839 CG2 ILE A 61 -4.544 1.251 -3.850 1.00 0.00 C ATOM 840 CD1 ILE A 61 -2.018 0.922 -2.271 1.00 0.00 C ATOM 0 H ILE A 61 -1.918 4.257 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.211 1.789 -4.906 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.274 3.294 -3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.243 3.045 -1.963 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.585 2.093 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.220 1.048 -3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.124 1.499 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.937 0.367 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.490 0.775 -1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.657 0.061 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.294 1.028 -3.079 1.00 0.00 H new ATOM 852 N LEU A 62 -3.746 2.359 -6.757 1.00 0.00 N ATOM 853 CA LEU A 62 -4.414 2.728 -7.993 1.00 0.00 C ATOM 854 C LEU A 62 -5.786 2.054 -8.048 1.00 0.00 C ATOM 855 O LEU A 62 -6.782 2.691 -8.389 1.00 0.00 O ATOM 856 CB LEU A 62 -3.525 2.411 -9.197 1.00 0.00 C ATOM 857 CG LEU A 62 -2.114 3.002 -9.164 1.00 0.00 C ATOM 858 CD1 LEU A 62 -1.254 2.433 -10.293 1.00 0.00 C ATOM 859 CD2 LEU A 62 -2.160 4.531 -9.193 1.00 0.00 C ATOM 0 H LEU A 62 -3.613 1.356 -6.627 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.586 3.804 -8.026 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.442 1.328 -9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.026 2.768 -10.097 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.644 2.711 -8.225 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.256 2.870 -10.246 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.182 1.351 -10.185 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.710 2.672 -11.254 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.144 4.926 -9.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.657 4.863 -10.105 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.712 4.895 -8.326 1.00 0.00 H new ATOM 871 N GLU A 63 -5.796 0.774 -7.706 1.00 0.00 N ATOM 872 CA GLU A 63 -7.030 0.007 -7.712 1.00 0.00 C ATOM 873 C GLU A 63 -7.186 -0.758 -6.396 1.00 0.00 C ATOM 874 O GLU A 63 -6.216 -0.941 -5.662 1.00 0.00 O ATOM 875 CB GLU A 63 -7.077 -0.946 -8.909 1.00 0.00 C ATOM 876 CG GLU A 63 -7.180 -0.170 -10.223 1.00 0.00 C ATOM 877 CD GLU A 63 -6.776 -1.046 -11.410 1.00 0.00 C ATOM 878 OE1 GLU A 63 -7.136 -2.243 -11.381 1.00 0.00 O ATOM 879 OE2 GLU A 63 -6.116 -0.500 -12.320 1.00 0.00 O ATOM 0 H GLU A 63 -4.969 0.249 -7.423 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.866 0.700 -7.808 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -6.182 -1.568 -8.919 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.930 -1.617 -8.811 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -8.201 0.186 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.538 0.710 -10.181 1.00 0.00 H new ATOM 886 N VAL A 64 -8.413 -1.183 -6.138 1.00 0.00 N ATOM 887 CA VAL A 64 -8.709 -1.924 -4.923 1.00 0.00 C ATOM 888 C VAL A 64 -9.776 -2.979 -5.221 1.00 0.00 C ATOM 889 O VAL A 64 -10.951 -2.652 -5.378 1.00 0.00 O ATOM 890 CB VAL A 64 -9.117 -0.959 -3.808 1.00 0.00 C ATOM 891 CG1 VAL A 64 -10.130 -1.610 -2.863 1.00 0.00 C ATOM 892 CG2 VAL A 64 -7.892 -0.459 -3.040 1.00 0.00 C ATOM 0 H VAL A 64 -9.215 -1.029 -6.749 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.822 -2.450 -4.571 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.597 -0.096 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.403 -0.903 -2.080 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.021 -1.893 -3.424 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.688 -2.498 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.210 0.225 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.371 -1.307 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.221 0.061 -3.724 1.00 0.00 H new ATOM 902 N ASN A 65 -9.328 -4.224 -5.290 1.00 0.00 N ATOM 903 CA ASN A 65 -10.229 -5.329 -5.566 1.00 0.00 C ATOM 904 C ASN A 65 -10.644 -5.288 -7.038 1.00 0.00 C ATOM 905 O ASN A 65 -11.645 -5.891 -7.422 1.00 0.00 O ATOM 906 CB ASN A 65 -11.497 -5.232 -4.715 1.00 0.00 C ATOM 907 CG ASN A 65 -11.689 -6.494 -3.872 1.00 0.00 C ATOM 908 OD1 ASN A 65 -11.458 -6.318 -2.574 1.00 0.00 O flip ATOM 909 ND2 ASN A 65 -12.025 -7.558 -4.366 1.00 0.00 N flip ATOM 0 H ASN A 65 -8.352 -4.492 -5.159 1.00 0.00 H new ATOM 0 HA ASN A 65 -9.707 -6.256 -5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.436 -4.361 -4.063 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.363 -5.087 -5.361 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.187 -7.625 -5.371 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -12.144 -8.380 -3.774 1.00 0.00 H new ATOM 916 N GLY A 66 -9.854 -4.569 -7.823 1.00 0.00 N ATOM 917 CA GLY A 66 -10.127 -4.441 -9.244 1.00 0.00 C ATOM 918 C GLY A 66 -11.186 -3.368 -9.505 1.00 0.00 C ATOM 919 O GLY A 66 -11.977 -3.485 -10.440 1.00 0.00 O ATOM 0 H GLY A 66 -9.025 -4.069 -7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -9.208 -4.187 -9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.468 -5.398 -9.640 1.00 0.00 H new ATOM 923 N SER A 67 -11.168 -2.347 -8.661 1.00 0.00 N ATOM 924 CA SER A 67 -12.117 -1.254 -8.788 1.00 0.00 C ATOM 925 C SER A 67 -11.378 0.085 -8.772 1.00 0.00 C ATOM 926 O SER A 67 -10.976 0.564 -7.713 1.00 0.00 O ATOM 927 CB SER A 67 -13.160 -1.298 -7.669 1.00 0.00 C ATOM 928 OG SER A 67 -14.457 -0.933 -8.134 1.00 0.00 O ATOM 0 H SER A 67 -10.511 -2.254 -7.886 1.00 0.00 H new ATOM 0 HA SER A 67 -12.639 -1.362 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.196 -2.302 -7.246 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.860 -0.624 -6.867 1.00 0.00 H new ATOM 0 HG SER A 67 -15.095 -0.975 -7.391 1.00 0.00 H new ATOM 934 N SER A 68 -11.221 0.652 -9.959 1.00 0.00 N ATOM 935 CA SER A 68 -10.538 1.927 -10.095 1.00 0.00 C ATOM 936 C SER A 68 -10.917 2.850 -8.936 1.00 0.00 C ATOM 937 O SER A 68 -12.098 3.062 -8.667 1.00 0.00 O ATOM 938 CB SER A 68 -10.871 2.590 -11.433 1.00 0.00 C ATOM 939 OG SER A 68 -10.284 1.899 -12.533 1.00 0.00 O ATOM 0 H SER A 68 -11.555 0.252 -10.836 1.00 0.00 H new ATOM 0 HA SER A 68 -9.464 1.744 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.953 2.623 -11.562 1.00 0.00 H new ATOM 0 HB3 SER A 68 -10.519 3.622 -11.424 1.00 0.00 H new ATOM 0 HG SER A 68 -10.522 2.353 -13.369 1.00 0.00 H new ATOM 945 N LEU A 69 -9.892 3.376 -8.280 1.00 0.00 N ATOM 946 CA LEU A 69 -10.103 4.272 -7.156 1.00 0.00 C ATOM 947 C LEU A 69 -9.536 5.652 -7.496 1.00 0.00 C ATOM 948 O LEU A 69 -8.993 6.334 -6.629 1.00 0.00 O ATOM 949 CB LEU A 69 -9.526 3.668 -5.874 1.00 0.00 C ATOM 950 CG LEU A 69 -10.480 2.799 -5.053 1.00 0.00 C ATOM 951 CD1 LEU A 69 -9.839 2.382 -3.728 1.00 0.00 C ATOM 952 CD2 LEU A 69 -11.821 3.505 -4.843 1.00 0.00 C ATOM 0 H LEU A 69 -8.913 3.198 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.169 4.403 -6.967 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.656 3.067 -6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.171 4.481 -5.241 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.680 1.887 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.538 1.765 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -8.931 1.812 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.590 3.271 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.481 2.866 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.659 4.443 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.280 3.710 -5.810 1.00 0.00 H new ATOM 964 N LEU A 70 -9.682 6.021 -8.760 1.00 0.00 N ATOM 965 CA LEU A 70 -9.191 7.307 -9.225 1.00 0.00 C ATOM 966 C LEU A 70 -10.315 8.342 -9.131 1.00 0.00 C ATOM 967 O LEU A 70 -11.269 8.299 -9.906 1.00 0.00 O ATOM 968 CB LEU A 70 -8.591 7.177 -10.626 1.00 0.00 C ATOM 969 CG LEU A 70 -7.328 6.321 -10.738 1.00 0.00 C ATOM 970 CD1 LEU A 70 -7.149 5.790 -12.162 1.00 0.00 C ATOM 971 CD2 LEU A 70 -6.098 7.092 -10.255 1.00 0.00 C ATOM 0 H LEU A 70 -10.133 5.452 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.380 7.658 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.350 6.758 -11.287 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.363 8.177 -10.996 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.443 5.456 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.244 5.185 -12.214 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.010 5.179 -12.433 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.066 6.627 -12.855 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.214 6.461 -10.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.968 7.987 -10.863 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -6.234 7.378 -9.212 1.00 0.00 H new ATOM 983 N GLY A 71 -10.164 9.247 -8.175 1.00 0.00 N ATOM 984 CA GLY A 71 -11.154 10.290 -7.970 1.00 0.00 C ATOM 985 C GLY A 71 -11.979 10.023 -6.709 1.00 0.00 C ATOM 986 O GLY A 71 -12.513 10.951 -6.104 1.00 0.00 O ATOM 0 H GLY A 71 -9.371 9.279 -7.534 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.657 11.256 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -11.814 10.345 -8.836 1.00 0.00 H new ATOM 990 N LEU A 72 -12.058 8.750 -6.351 1.00 0.00 N ATOM 991 CA LEU A 72 -12.808 8.349 -5.173 1.00 0.00 C ATOM 992 C LEU A 72 -12.111 8.886 -3.922 1.00 0.00 C ATOM 993 O LEU A 72 -10.890 8.795 -3.800 1.00 0.00 O ATOM 994 CB LEU A 72 -13.014 6.833 -5.159 1.00 0.00 C ATOM 995 CG LEU A 72 -14.338 6.330 -5.739 1.00 0.00 C ATOM 996 CD1 LEU A 72 -14.468 4.814 -5.577 1.00 0.00 C ATOM 997 CD2 LEU A 72 -15.524 7.076 -5.123 1.00 0.00 C ATOM 0 H LEU A 72 -11.615 7.983 -6.856 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.808 8.783 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -12.198 6.370 -5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -12.936 6.485 -4.129 1.00 0.00 H new ATOM 0 HG LEU A 72 -14.344 6.541 -6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -15.418 4.483 -5.997 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.648 4.321 -6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.431 4.557 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -16.453 6.700 -5.552 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -15.532 6.919 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -15.433 8.142 -5.333 1.00 0.00 H new ATOM 1009 N GLY A 73 -12.916 9.434 -3.024 1.00 0.00 N ATOM 1010 CA GLY A 73 -12.392 9.986 -1.786 1.00 0.00 C ATOM 1011 C GLY A 73 -11.823 8.883 -0.892 1.00 0.00 C ATOM 1012 O GLY A 73 -12.298 7.748 -0.921 1.00 0.00 O ATOM 0 H GLY A 73 -13.928 9.508 -3.129 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.614 10.716 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -13.183 10.516 -1.256 1.00 0.00 H new ATOM 1016 N TYR A 74 -10.814 9.254 -0.118 1.00 0.00 N ATOM 1017 CA TYR A 74 -10.175 8.310 0.784 1.00 0.00 C ATOM 1018 C TYR A 74 -11.215 7.444 1.498 1.00 0.00 C ATOM 1019 O TYR A 74 -11.107 6.219 1.507 1.00 0.00 O ATOM 1020 CB TYR A 74 -9.432 9.154 1.821 1.00 0.00 C ATOM 1021 CG TYR A 74 -8.871 8.347 2.994 1.00 0.00 C ATOM 1022 CD1 TYR A 74 -9.710 7.927 4.006 1.00 0.00 C ATOM 1023 CD2 TYR A 74 -7.527 8.039 3.039 1.00 0.00 C ATOM 1024 CE1 TYR A 74 -9.182 7.168 5.110 1.00 0.00 C ATOM 1025 CE2 TYR A 74 -6.999 7.280 4.143 1.00 0.00 C ATOM 1026 CZ TYR A 74 -7.853 6.882 5.124 1.00 0.00 C ATOM 1027 OH TYR A 74 -7.354 6.164 6.166 1.00 0.00 O ATOM 0 H TYR A 74 -10.423 10.196 -0.097 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.510 7.644 0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.613 9.678 1.329 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -10.110 9.915 2.208 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.762 8.167 3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.871 8.367 2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.827 6.834 5.909 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.949 7.032 4.191 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.391 6.034 6.042 1.00 0.00 H new ATOM 1037 N LEU A 75 -12.198 8.115 2.079 1.00 0.00 N ATOM 1038 CA LEU A 75 -13.257 7.422 2.794 1.00 0.00 C ATOM 1039 C LEU A 75 -13.896 6.385 1.869 1.00 0.00 C ATOM 1040 O LEU A 75 -13.926 5.197 2.190 1.00 0.00 O ATOM 1041 CB LEU A 75 -14.255 8.425 3.377 1.00 0.00 C ATOM 1042 CG LEU A 75 -13.867 9.057 4.715 1.00 0.00 C ATOM 1043 CD1 LEU A 75 -14.717 10.296 5.003 1.00 0.00 C ATOM 1044 CD2 LEU A 75 -13.943 8.032 5.848 1.00 0.00 C ATOM 0 H LEU A 75 -12.284 9.131 2.070 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.850 6.880 3.648 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.404 9.224 2.650 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.215 7.923 3.500 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.830 9.387 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -14.421 10.726 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.567 11.032 4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.769 10.014 5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -13.662 8.507 6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.961 7.649 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.260 7.208 5.640 1.00 0.00 H new ATOM 1056 N ARG A 76 -14.392 6.870 0.741 1.00 0.00 N ATOM 1057 CA ARG A 76 -15.029 6.000 -0.233 1.00 0.00 C ATOM 1058 C ARG A 76 -14.110 4.825 -0.576 1.00 0.00 C ATOM 1059 O ARG A 76 -14.575 3.700 -0.754 1.00 0.00 O ATOM 1060 CB ARG A 76 -15.370 6.763 -1.514 1.00 0.00 C ATOM 1061 CG ARG A 76 -16.876 7.015 -1.618 1.00 0.00 C ATOM 1062 CD ARG A 76 -17.611 5.757 -2.085 1.00 0.00 C ATOM 1063 NE ARG A 76 -18.979 6.107 -2.531 1.00 0.00 N ATOM 1064 CZ ARG A 76 -20.006 6.328 -1.700 1.00 0.00 C ATOM 1065 NH1 ARG A 76 -19.828 6.238 -0.375 1.00 0.00 N ATOM 1066 NH2 ARG A 76 -21.212 6.640 -2.194 1.00 0.00 N ATOM 0 H ARG A 76 -14.366 7.855 0.479 1.00 0.00 H new ATOM 0 HA ARG A 76 -15.952 5.627 0.210 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -14.837 7.714 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -15.032 6.195 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -17.264 7.328 -0.649 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -17.065 7.831 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -17.062 5.287 -2.901 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -17.659 5.031 -1.273 1.00 0.00 H new ATOM 0 HE ARG A 76 -19.150 6.185 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -18.910 6.001 0.001 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -20.610 6.406 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -21.348 6.709 -3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -21.994 6.808 -1.561 1.00 0.00 H new ATOM 1080 N ALA A 77 -12.823 5.127 -0.659 1.00 0.00 N ATOM 1081 CA ALA A 77 -11.834 4.110 -0.978 1.00 0.00 C ATOM 1082 C ALA A 77 -11.709 3.141 0.199 1.00 0.00 C ATOM 1083 O ALA A 77 -11.564 1.935 0.002 1.00 0.00 O ATOM 1084 CB ALA A 77 -10.504 4.782 -1.324 1.00 0.00 C ATOM 0 H ALA A 77 -12.441 6.061 -0.511 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.144 3.533 -1.849 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.763 4.020 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -10.641 5.438 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -10.160 5.368 -0.472 1.00 0.00 H new ATOM 1090 N VAL A 78 -11.769 3.703 1.397 1.00 0.00 N ATOM 1091 CA VAL A 78 -11.664 2.903 2.606 1.00 0.00 C ATOM 1092 C VAL A 78 -12.757 1.832 2.600 1.00 0.00 C ATOM 1093 O VAL A 78 -12.470 0.646 2.754 1.00 0.00 O ATOM 1094 CB VAL A 78 -11.720 3.807 3.838 1.00 0.00 C ATOM 1095 CG1 VAL A 78 -11.749 2.979 5.125 1.00 0.00 C ATOM 1096 CG2 VAL A 78 -10.551 4.794 3.848 1.00 0.00 C ATOM 0 H VAL A 78 -11.889 4.703 1.557 1.00 0.00 H new ATOM 0 HA VAL A 78 -10.704 2.388 2.641 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.644 4.383 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.789 3.646 5.986 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -12.629 2.335 5.124 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.850 2.365 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.615 5.425 4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.610 4.244 3.861 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -10.594 5.418 2.955 1.00 0.00 H new ATOM 1106 N ASP A 79 -13.988 2.289 2.420 1.00 0.00 N ATOM 1107 CA ASP A 79 -15.125 1.386 2.392 1.00 0.00 C ATOM 1108 C ASP A 79 -14.806 0.199 1.481 1.00 0.00 C ATOM 1109 O ASP A 79 -14.979 -0.954 1.873 1.00 0.00 O ATOM 1110 CB ASP A 79 -16.370 2.084 1.842 1.00 0.00 C ATOM 1111 CG ASP A 79 -17.674 1.298 1.996 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -17.809 0.278 1.285 1.00 0.00 O ATOM 1113 OD2 ASP A 79 -18.506 1.734 2.820 1.00 0.00 O ATOM 0 H ASP A 79 -14.222 3.273 2.292 1.00 0.00 H new ATOM 0 HA ASP A 79 -15.319 1.056 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -16.481 3.045 2.345 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -16.213 2.294 0.784 1.00 0.00 H new ATOM 1118 N LEU A 80 -14.346 0.523 0.281 1.00 0.00 N ATOM 1119 CA LEU A 80 -14.001 -0.502 -0.690 1.00 0.00 C ATOM 1120 C LEU A 80 -13.113 -1.553 -0.021 1.00 0.00 C ATOM 1121 O LEU A 80 -13.454 -2.735 0.004 1.00 0.00 O ATOM 1122 CB LEU A 80 -13.376 0.129 -1.936 1.00 0.00 C ATOM 1123 CG LEU A 80 -14.358 0.657 -2.984 1.00 0.00 C ATOM 1124 CD1 LEU A 80 -13.615 1.187 -4.212 1.00 0.00 C ATOM 1125 CD2 LEU A 80 -15.391 -0.408 -3.354 1.00 0.00 C ATOM 0 H LEU A 80 -14.204 1.480 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 80 -14.897 -1.016 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -12.735 0.952 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.732 -0.612 -2.410 1.00 0.00 H new ATOM 0 HG LEU A 80 -14.903 1.495 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -14.335 1.556 -4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -12.952 1.999 -3.914 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.028 0.384 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -16.076 -0.006 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.883 -1.282 -3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.951 -0.696 -2.465 1.00 0.00 H new ATOM 1137 N ILE A 81 -11.990 -1.085 0.504 1.00 0.00 N ATOM 1138 CA ILE A 81 -11.050 -1.970 1.171 1.00 0.00 C ATOM 1139 C ILE A 81 -11.744 -2.645 2.356 1.00 0.00 C ATOM 1140 O ILE A 81 -11.571 -3.841 2.582 1.00 0.00 O ATOM 1141 CB ILE A 81 -9.778 -1.210 1.554 1.00 0.00 C ATOM 1142 CG1 ILE A 81 -8.865 -1.023 0.340 1.00 0.00 C ATOM 1143 CG2 ILE A 81 -9.056 -1.900 2.713 1.00 0.00 C ATOM 1144 CD1 ILE A 81 -8.868 0.434 -0.128 1.00 0.00 C ATOM 0 H ILE A 81 -11.710 -0.104 0.481 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.729 -2.763 0.496 1.00 0.00 H new ATOM 0 HB ILE A 81 -10.064 -0.216 1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.849 -1.325 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.196 -1.670 -0.472 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.156 -1.340 2.966 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.715 -1.939 3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.783 -2.914 2.420 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.212 0.540 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.881 0.725 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -8.513 1.076 0.678 1.00 0.00 H new ATOM 1156 N ARG A 82 -12.514 -1.847 3.081 1.00 0.00 N ATOM 1157 CA ARG A 82 -13.235 -2.352 4.238 1.00 0.00 C ATOM 1158 C ARG A 82 -14.092 -3.557 3.844 1.00 0.00 C ATOM 1159 O ARG A 82 -13.938 -4.642 4.403 1.00 0.00 O ATOM 1160 CB ARG A 82 -14.134 -1.272 4.842 1.00 0.00 C ATOM 1161 CG ARG A 82 -13.310 -0.249 5.627 1.00 0.00 C ATOM 1162 CD ARG A 82 -13.658 -0.293 7.117 1.00 0.00 C ATOM 1163 NE ARG A 82 -13.008 -1.459 7.755 1.00 0.00 N ATOM 1164 CZ ARG A 82 -13.439 -2.033 8.886 1.00 0.00 C ATOM 1165 NH1 ARG A 82 -14.522 -1.552 9.511 1.00 0.00 N ATOM 1166 NH2 ARG A 82 -12.786 -3.088 9.393 1.00 0.00 N ATOM 0 H ARG A 82 -12.655 -0.855 2.890 1.00 0.00 H new ATOM 0 HA ARG A 82 -12.498 -2.653 4.983 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.686 -0.768 4.049 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.871 -1.733 5.500 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.248 -0.451 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.496 0.751 5.236 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.331 0.627 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.739 -0.354 7.245 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.180 -1.850 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.018 -0.749 9.126 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.850 -1.989 10.372 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.961 -3.454 8.918 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -13.114 -3.525 10.254 1.00 0.00 H new ATOM 1180 N HIS A 83 -14.976 -3.326 2.885 1.00 0.00 N ATOM 1181 CA HIS A 83 -15.858 -4.379 2.410 1.00 0.00 C ATOM 1182 C HIS A 83 -15.205 -5.102 1.230 1.00 0.00 C ATOM 1183 O HIS A 83 -15.888 -5.507 0.291 1.00 0.00 O ATOM 1184 CB HIS A 83 -17.240 -3.819 2.071 1.00 0.00 C ATOM 1185 CG HIS A 83 -17.806 -2.900 3.127 1.00 0.00 C ATOM 1186 ND1 HIS A 83 -17.726 -1.521 3.042 1.00 0.00 N ATOM 1187 CD2 HIS A 83 -18.462 -3.176 4.291 1.00 0.00 C ATOM 1188 CE1 HIS A 83 -18.309 -1.001 4.112 1.00 0.00 C ATOM 1189 NE2 HIS A 83 -18.764 -2.029 4.885 1.00 0.00 N ATOM 0 H HIS A 83 -15.101 -2.425 2.424 1.00 0.00 H new ATOM 0 HA HIS A 83 -16.012 -5.113 3.201 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -17.180 -3.277 1.127 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -17.930 -4.649 1.919 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -17.292 -0.994 2.284 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -18.696 -4.162 4.665 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -18.407 0.052 4.333 1.00 0.00 H new ATOM 1197 N GLY A 84 -13.890 -5.242 1.317 1.00 0.00 N ATOM 1198 CA GLY A 84 -13.138 -5.909 0.268 1.00 0.00 C ATOM 1199 C GLY A 84 -13.930 -7.081 -0.314 1.00 0.00 C ATOM 1200 O GLY A 84 -14.718 -6.902 -1.242 1.00 0.00 O ATOM 0 H GLY A 84 -13.327 -4.905 2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.901 -5.197 -0.523 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.190 -6.269 0.668 1.00 0.00 H new ATOM 1204 N GLY A 85 -13.693 -8.254 0.254 1.00 0.00 N ATOM 1205 CA GLY A 85 -14.375 -9.455 -0.198 1.00 0.00 C ATOM 1206 C GLY A 85 -13.452 -10.673 -0.115 1.00 0.00 C ATOM 1207 O GLY A 85 -13.200 -11.335 -1.121 1.00 0.00 O ATOM 0 H GLY A 85 -13.039 -8.399 1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.263 -9.625 0.411 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -14.714 -9.320 -1.225 1.00 0.00 H new ATOM 1211 N LYS A 86 -12.973 -10.932 1.093 1.00 0.00 N ATOM 1212 CA LYS A 86 -12.083 -12.058 1.319 1.00 0.00 C ATOM 1213 C LYS A 86 -10.744 -11.792 0.628 1.00 0.00 C ATOM 1214 O LYS A 86 -9.713 -11.675 1.289 1.00 0.00 O ATOM 1215 CB LYS A 86 -12.751 -13.364 0.884 1.00 0.00 C ATOM 1216 CG LYS A 86 -13.650 -13.916 1.992 1.00 0.00 C ATOM 1217 CD LYS A 86 -12.896 -14.926 2.858 1.00 0.00 C ATOM 1218 CE LYS A 86 -13.572 -15.093 4.221 1.00 0.00 C ATOM 1219 NZ LYS A 86 -14.077 -16.475 4.383 1.00 0.00 N ATOM 0 H LYS A 86 -13.184 -10.382 1.925 1.00 0.00 H new ATOM 0 HA LYS A 86 -11.875 -12.172 2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -13.341 -13.192 -0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.988 -14.100 0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -14.011 -13.097 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -14.526 -14.392 1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.855 -15.889 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.867 -14.595 2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.863 -14.863 5.016 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -14.396 -14.385 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.533 -16.571 5.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.769 -16.681 3.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -13.284 -17.145 4.315 1.00 0.00 H new ATOM 1233 N LYS A 87 -10.803 -11.704 -0.692 1.00 0.00 N ATOM 1234 CA LYS A 87 -9.608 -11.454 -1.480 1.00 0.00 C ATOM 1235 C LYS A 87 -9.471 -9.950 -1.728 1.00 0.00 C ATOM 1236 O LYS A 87 -10.269 -9.363 -2.456 1.00 0.00 O ATOM 1237 CB LYS A 87 -9.626 -12.289 -2.761 1.00 0.00 C ATOM 1238 CG LYS A 87 -8.621 -13.440 -2.680 1.00 0.00 C ATOM 1239 CD LYS A 87 -8.735 -14.355 -3.902 1.00 0.00 C ATOM 1240 CE LYS A 87 -7.353 -14.691 -4.465 1.00 0.00 C ATOM 1241 NZ LYS A 87 -6.896 -16.007 -3.965 1.00 0.00 N ATOM 0 H LYS A 87 -11.660 -11.801 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.719 -11.770 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.627 -12.687 -2.926 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -9.390 -11.655 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.609 -13.040 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.796 -14.017 -1.772 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.253 -15.274 -3.626 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.336 -13.869 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.390 -14.702 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.639 -13.919 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.956 -16.220 -4.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.841 -15.984 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.569 -16.743 -4.260 1.00 0.00 H new ATOM 1255 N MET A 88 -8.454 -9.371 -1.108 1.00 0.00 N ATOM 1256 CA MET A 88 -8.202 -7.947 -1.252 1.00 0.00 C ATOM 1257 C MET A 88 -7.044 -7.690 -2.218 1.00 0.00 C ATOM 1258 O MET A 88 -5.922 -8.135 -1.980 1.00 0.00 O ATOM 1259 CB MET A 88 -7.870 -7.346 0.115 1.00 0.00 C ATOM 1260 CG MET A 88 -9.109 -7.309 1.013 1.00 0.00 C ATOM 1261 SD MET A 88 -9.509 -5.621 1.431 1.00 0.00 S ATOM 1262 CE MET A 88 -9.733 -4.941 -0.204 1.00 0.00 C ATOM 0 H MET A 88 -7.794 -9.862 -0.504 1.00 0.00 H new ATOM 0 HA MET A 88 -9.099 -7.478 -1.657 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.087 -7.933 0.594 1.00 0.00 H new ATOM 0 HB3 MET A 88 -7.479 -6.337 -0.013 1.00 0.00 H new ATOM 0 HG2 MET A 88 -9.952 -7.776 0.503 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.928 -7.884 1.921 1.00 0.00 H new ATOM 0 HE1 MET A 88 -9.331 -3.928 -0.235 1.00 0.00 H new ATOM 0 HE2 MET A 88 -9.209 -5.562 -0.931 1.00 0.00 H new ATOM 0 HE3 MET A 88 -10.796 -4.917 -0.446 1.00 0.00 H new ATOM 1272 N ARG A 89 -7.355 -6.974 -3.288 1.00 0.00 N ATOM 1273 CA ARG A 89 -6.354 -6.652 -4.291 1.00 0.00 C ATOM 1274 C ARG A 89 -6.081 -5.147 -4.305 1.00 0.00 C ATOM 1275 O ARG A 89 -6.963 -4.350 -3.991 1.00 0.00 O ATOM 1276 CB ARG A 89 -6.808 -7.094 -5.684 1.00 0.00 C ATOM 1277 CG ARG A 89 -5.697 -6.884 -6.715 1.00 0.00 C ATOM 1278 CD ARG A 89 -6.094 -7.464 -8.074 1.00 0.00 C ATOM 1279 NE ARG A 89 -5.759 -6.505 -9.150 1.00 0.00 N ATOM 1280 CZ ARG A 89 -5.554 -6.852 -10.428 1.00 0.00 C ATOM 1281 NH1 ARG A 89 -5.647 -8.137 -10.797 1.00 0.00 N ATOM 1282 NH2 ARG A 89 -5.254 -5.914 -11.337 1.00 0.00 N ATOM 0 H ARG A 89 -8.287 -6.607 -3.483 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.441 -7.188 -4.032 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.093 -8.146 -5.661 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.693 -6.530 -5.978 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -5.487 -5.819 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -4.779 -7.358 -6.367 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -5.575 -8.408 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.162 -7.681 -8.088 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.679 -5.518 -8.904 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.874 -8.851 -10.105 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.491 -8.401 -11.770 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.182 -4.936 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -5.098 -6.178 -12.310 1.00 0.00 H new ATOM 1296 N PHE A 90 -4.855 -4.804 -4.672 1.00 0.00 N ATOM 1297 CA PHE A 90 -4.455 -3.408 -4.731 1.00 0.00 C ATOM 1298 C PHE A 90 -3.411 -3.183 -5.827 1.00 0.00 C ATOM 1299 O PHE A 90 -2.406 -3.889 -5.886 1.00 0.00 O ATOM 1300 CB PHE A 90 -3.835 -3.063 -3.375 1.00 0.00 C ATOM 1301 CG PHE A 90 -4.673 -3.511 -2.176 1.00 0.00 C ATOM 1302 CD1 PHE A 90 -5.878 -2.929 -1.933 1.00 0.00 C ATOM 1303 CD2 PHE A 90 -4.213 -4.491 -1.353 1.00 0.00 C ATOM 1304 CE1 PHE A 90 -6.656 -3.345 -0.820 1.00 0.00 C ATOM 1305 CE2 PHE A 90 -4.991 -4.907 -0.240 1.00 0.00 C ATOM 1306 CZ PHE A 90 -6.196 -4.325 0.003 1.00 0.00 C ATOM 0 H PHE A 90 -4.126 -5.468 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.319 -2.782 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -2.850 -3.525 -3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -3.686 -1.985 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.243 -2.151 -2.586 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.256 -4.953 -1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -7.613 -2.883 -0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.626 -5.685 0.413 1.00 0.00 H new ATOM 0 HZ PHE A 90 -6.788 -4.641 0.850 1.00 0.00 H new ATOM 1316 N LEU A 91 -3.687 -2.197 -6.668 1.00 0.00 N ATOM 1317 CA LEU A 91 -2.785 -1.870 -7.759 1.00 0.00 C ATOM 1318 C LEU A 91 -1.920 -0.673 -7.359 1.00 0.00 C ATOM 1319 O LEU A 91 -2.316 0.476 -7.551 1.00 0.00 O ATOM 1320 CB LEU A 91 -3.568 -1.656 -9.056 1.00 0.00 C ATOM 1321 CG LEU A 91 -2.732 -1.357 -10.303 1.00 0.00 C ATOM 1322 CD1 LEU A 91 -1.593 -2.366 -10.454 1.00 0.00 C ATOM 1323 CD2 LEU A 91 -3.614 -1.295 -11.552 1.00 0.00 C ATOM 0 H LEU A 91 -4.522 -1.614 -6.616 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.108 -2.702 -7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -4.165 -2.548 -9.248 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.265 -0.832 -8.904 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.276 -0.374 -10.182 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -1.015 -2.131 -11.348 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.945 -2.317 -9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.006 -3.371 -10.543 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.996 -1.081 -12.424 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.117 -2.252 -11.690 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.358 -0.508 -11.433 1.00 0.00 H new ATOM 1335 N VAL A 92 -0.755 -0.983 -6.810 1.00 0.00 N ATOM 1336 CA VAL A 92 0.169 0.053 -6.381 1.00 0.00 C ATOM 1337 C VAL A 92 1.284 0.198 -7.418 1.00 0.00 C ATOM 1338 O VAL A 92 1.776 -0.797 -7.949 1.00 0.00 O ATOM 1339 CB VAL A 92 0.695 -0.262 -4.979 1.00 0.00 C ATOM 1340 CG1 VAL A 92 0.511 -1.744 -4.645 1.00 0.00 C ATOM 1341 CG2 VAL A 92 2.160 0.155 -4.835 1.00 0.00 C ATOM 0 H VAL A 92 -0.430 -1.937 -6.652 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.340 1.014 -6.315 1.00 0.00 H new ATOM 0 HB VAL A 92 0.111 0.318 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.893 -1.941 -3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.548 -1.997 -4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.057 -2.350 -5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.508 -0.080 -3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.765 -0.384 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.252 1.227 -5.009 1.00 0.00 H new ATOM 1351 N ALA A 93 1.651 1.445 -7.676 1.00 0.00 N ATOM 1352 CA ALA A 93 2.699 1.732 -8.641 1.00 0.00 C ATOM 1353 C ALA A 93 4.032 1.893 -7.907 1.00 0.00 C ATOM 1354 O ALA A 93 4.078 2.456 -6.814 1.00 0.00 O ATOM 1355 CB ALA A 93 2.323 2.977 -9.448 1.00 0.00 C ATOM 0 H ALA A 93 1.241 2.268 -7.234 1.00 0.00 H new ATOM 0 HA ALA A 93 2.808 0.908 -9.346 1.00 0.00 H new ATOM 0 HB1 ALA A 93 3.109 3.192 -10.172 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.384 2.800 -9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.208 3.826 -8.774 1.00 0.00 H new ATOM 1361 N LYS A 94 5.083 1.389 -8.537 1.00 0.00 N ATOM 1362 CA LYS A 94 6.413 1.471 -7.957 1.00 0.00 C ATOM 1363 C LYS A 94 6.921 2.910 -8.057 1.00 0.00 C ATOM 1364 O LYS A 94 7.462 3.311 -9.087 1.00 0.00 O ATOM 1365 CB LYS A 94 7.343 0.443 -8.605 1.00 0.00 C ATOM 1366 CG LYS A 94 7.955 -0.483 -7.553 1.00 0.00 C ATOM 1367 CD LYS A 94 8.920 0.280 -6.644 1.00 0.00 C ATOM 1368 CE LYS A 94 10.316 0.353 -7.265 1.00 0.00 C ATOM 1369 NZ LYS A 94 11.231 -0.599 -6.596 1.00 0.00 N ATOM 0 H LYS A 94 5.041 0.922 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 94 6.383 1.217 -6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.787 -0.146 -9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.136 0.957 -9.148 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.163 -0.931 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.483 -1.300 -8.045 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.542 1.288 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.975 -0.211 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 94 10.259 0.125 -8.329 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.708 1.366 -7.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.174 -0.537 -7.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.298 -0.364 -5.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.864 -1.566 -6.703 1.00 0.00 H new ATOM 1383 N SER A 95 6.729 3.648 -6.974 1.00 0.00 N ATOM 1384 CA SER A 95 7.161 5.035 -6.926 1.00 0.00 C ATOM 1385 C SER A 95 8.566 5.125 -6.326 1.00 0.00 C ATOM 1386 O SER A 95 9.063 4.156 -5.753 1.00 0.00 O ATOM 1387 CB SER A 95 6.183 5.889 -6.118 1.00 0.00 C ATOM 1388 OG SER A 95 5.617 6.937 -6.901 1.00 0.00 O ATOM 0 H SER A 95 6.280 3.312 -6.122 1.00 0.00 H new ATOM 0 HA SER A 95 7.182 5.422 -7.945 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.386 5.256 -5.728 1.00 0.00 H new ATOM 0 HB3 SER A 95 6.699 6.317 -5.259 1.00 0.00 H new ATOM 0 HG SER A 95 4.790 7.250 -6.479 1.00 0.00 H new ATOM 1394 N ASP A 96 9.165 6.297 -6.477 1.00 0.00 N ATOM 1395 CA ASP A 96 10.502 6.526 -5.957 1.00 0.00 C ATOM 1396 C ASP A 96 10.436 6.663 -4.435 1.00 0.00 C ATOM 1397 O ASP A 96 9.352 6.767 -3.864 1.00 0.00 O ATOM 1398 CB ASP A 96 11.100 7.816 -6.523 1.00 0.00 C ATOM 1399 CG ASP A 96 11.092 7.917 -8.049 1.00 0.00 C ATOM 1400 OD1 ASP A 96 10.384 7.095 -8.669 1.00 0.00 O ATOM 1401 OD2 ASP A 96 11.795 8.815 -8.562 1.00 0.00 O ATOM 0 H ASP A 96 8.749 7.098 -6.952 1.00 0.00 H new ATOM 0 HA ASP A 96 11.126 5.681 -6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.549 8.664 -6.115 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.128 7.906 -6.173 1.00 0.00 H new ATOM 1406 N VAL A 97 11.610 6.658 -3.821 1.00 0.00 N ATOM 1407 CA VAL A 97 11.699 6.781 -2.376 1.00 0.00 C ATOM 1408 C VAL A 97 11.134 8.136 -1.947 1.00 0.00 C ATOM 1409 O VAL A 97 10.472 8.239 -0.916 1.00 0.00 O ATOM 1410 CB VAL A 97 13.144 6.564 -1.920 1.00 0.00 C ATOM 1411 CG1 VAL A 97 13.348 7.063 -0.489 1.00 0.00 C ATOM 1412 CG2 VAL A 97 13.545 5.093 -2.051 1.00 0.00 C ATOM 0 H VAL A 97 12.507 6.571 -4.298 1.00 0.00 H new ATOM 0 HA VAL A 97 11.100 6.011 -1.890 1.00 0.00 H new ATOM 0 HB VAL A 97 13.793 7.147 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL A 97 14.383 6.897 -0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 97 13.122 8.128 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 97 12.684 6.520 0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 97 14.576 4.966 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.888 4.480 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 97 13.457 4.783 -3.092 1.00 0.00 H new ATOM 1422 N GLU A 98 11.417 9.143 -2.761 1.00 0.00 N ATOM 1423 CA GLU A 98 10.945 10.488 -2.479 1.00 0.00 C ATOM 1424 C GLU A 98 9.463 10.462 -2.100 1.00 0.00 C ATOM 1425 O GLU A 98 9.094 10.860 -0.996 1.00 0.00 O ATOM 1426 CB GLU A 98 11.190 11.416 -3.671 1.00 0.00 C ATOM 1427 CG GLU A 98 12.688 11.591 -3.931 1.00 0.00 C ATOM 1428 CD GLU A 98 12.989 11.576 -5.431 1.00 0.00 C ATOM 1429 OE1 GLU A 98 13.068 10.457 -5.983 1.00 0.00 O ATOM 1430 OE2 GLU A 98 13.133 12.684 -5.992 1.00 0.00 O ATOM 0 H GLU A 98 11.967 9.054 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 98 11.509 10.880 -1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.708 11.008 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 98 10.735 12.388 -3.480 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.029 12.531 -3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.242 10.793 -3.437 1.00 0.00 H new ATOM 1437 N THR A 99 8.653 9.991 -3.037 1.00 0.00 N ATOM 1438 CA THR A 99 7.220 9.908 -2.815 1.00 0.00 C ATOM 1439 C THR A 99 6.927 9.476 -1.377 1.00 0.00 C ATOM 1440 O THR A 99 5.999 9.984 -0.749 1.00 0.00 O ATOM 1441 CB THR A 99 6.633 8.963 -3.865 1.00 0.00 C ATOM 1442 OG1 THR A 99 6.517 9.770 -5.034 1.00 0.00 O ATOM 1443 CG2 THR A 99 5.192 8.558 -3.548 1.00 0.00 C ATOM 0 H THR A 99 8.962 9.663 -3.952 1.00 0.00 H new ATOM 0 HA THR A 99 6.745 10.882 -2.931 1.00 0.00 H new ATOM 0 HB THR A 99 7.254 8.070 -3.936 1.00 0.00 H new ATOM 0 HG1 THR A 99 6.145 9.234 -5.766 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.823 7.887 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.161 8.050 -2.584 1.00 0.00 H new ATOM 0 HG23 THR A 99 4.564 9.448 -3.509 1.00 0.00 H new ATOM 1451 N ALA A 100 7.736 8.542 -0.897 1.00 0.00 N ATOM 1452 CA ALA A 100 7.575 8.036 0.455 1.00 0.00 C ATOM 1453 C ALA A 100 8.148 9.051 1.446 1.00 0.00 C ATOM 1454 O ALA A 100 7.522 9.354 2.461 1.00 0.00 O ATOM 1455 CB ALA A 100 8.246 6.666 0.571 1.00 0.00 C ATOM 0 H ALA A 100 8.505 8.123 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 100 6.519 7.903 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.125 6.286 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.784 5.974 -0.133 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.308 6.760 0.343 1.00 0.00 H new ATOM 1461 N LYS A 101 9.331 9.548 1.118 1.00 0.00 N ATOM 1462 CA LYS A 101 9.995 10.523 1.966 1.00 0.00 C ATOM 1463 C LYS A 101 8.960 11.509 2.511 1.00 0.00 C ATOM 1464 O LYS A 101 8.913 11.765 3.713 1.00 0.00 O ATOM 1465 CB LYS A 101 11.146 11.193 1.213 1.00 0.00 C ATOM 1466 CG LYS A 101 12.309 10.220 1.009 1.00 0.00 C ATOM 1467 CD LYS A 101 13.638 10.860 1.414 1.00 0.00 C ATOM 1468 CE LYS A 101 14.816 10.141 0.755 1.00 0.00 C ATOM 1469 NZ LYS A 101 15.472 9.230 1.720 1.00 0.00 N ATOM 0 H LYS A 101 9.847 9.294 0.276 1.00 0.00 H new ATOM 0 HA LYS A 101 10.450 10.032 2.826 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.793 11.551 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 101 11.490 12.065 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.141 9.319 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.352 9.914 -0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.642 11.911 1.126 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.747 10.826 2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.467 9.575 -0.109 1.00 0.00 H new ATOM 0 HE3 LYS A 101 15.537 10.872 0.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.270 8.750 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.822 9.778 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.786 8.522 2.050 1.00 0.00 H new ATOM 1483 N LYS A 102 8.155 12.035 1.600 1.00 0.00 N ATOM 1484 CA LYS A 102 7.123 12.987 1.973 1.00 0.00 C ATOM 1485 C LYS A 102 6.134 12.313 2.927 1.00 0.00 C ATOM 1486 O LYS A 102 5.759 12.888 3.947 1.00 0.00 O ATOM 1487 CB LYS A 102 6.466 13.583 0.726 1.00 0.00 C ATOM 1488 CG LYS A 102 7.492 14.327 -0.131 1.00 0.00 C ATOM 1489 CD LYS A 102 7.407 13.887 -1.594 1.00 0.00 C ATOM 1490 CE LYS A 102 8.565 14.465 -2.408 1.00 0.00 C ATOM 1491 NZ LYS A 102 8.053 15.289 -3.526 1.00 0.00 N ATOM 0 H LYS A 102 8.197 11.820 0.604 1.00 0.00 H new ATOM 0 HA LYS A 102 7.559 13.830 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.004 12.789 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.670 14.266 1.021 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.320 15.401 -0.060 1.00 0.00 H new ATOM 0 HG3 LYS A 102 8.495 14.139 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.425 12.799 -1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.459 14.213 -2.021 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.203 15.071 -1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.183 13.656 -2.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 8.853 15.674 -4.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.463 14.701 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.483 16.072 -3.147 1.00 0.00 H new ATOM 1505 N ILE A 103 5.740 11.102 2.560 1.00 0.00 N ATOM 1506 CA ILE A 103 4.802 10.343 3.370 1.00 0.00 C ATOM 1507 C ILE A 103 5.422 10.073 4.742 1.00 0.00 C ATOM 1508 O ILE A 103 4.708 9.946 5.736 1.00 0.00 O ATOM 1509 CB ILE A 103 4.361 9.076 2.634 1.00 0.00 C ATOM 1510 CG1 ILE A 103 3.765 9.416 1.266 1.00 0.00 C ATOM 1511 CG2 ILE A 103 3.399 8.251 3.490 1.00 0.00 C ATOM 1512 CD1 ILE A 103 2.240 9.518 1.343 1.00 0.00 C ATOM 0 H ILE A 103 6.053 10.628 1.713 1.00 0.00 H new ATOM 0 HA ILE A 103 3.892 10.919 3.539 1.00 0.00 H new ATOM 0 HB ILE A 103 5.242 8.460 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 103 4.179 10.359 0.909 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.046 8.651 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.101 7.356 2.943 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.894 7.962 4.417 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.515 8.846 3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 103 1.841 9.760 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 103 1.828 8.566 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 103 1.963 10.301 2.049 1.00 0.00 H new ATOM 1524 N HIS A 104 6.744 9.993 4.753 1.00 0.00 N ATOM 1525 CA HIS A 104 7.469 9.740 5.987 1.00 0.00 C ATOM 1526 C HIS A 104 7.501 11.014 6.833 1.00 0.00 C ATOM 1527 O HIS A 104 7.948 12.061 6.368 1.00 0.00 O ATOM 1528 CB HIS A 104 8.865 9.187 5.694 1.00 0.00 C ATOM 1529 CG HIS A 104 8.861 7.873 4.949 1.00 0.00 C ATOM 1530 ND1 HIS A 104 9.966 7.395 4.267 1.00 0.00 N ATOM 1531 CD2 HIS A 104 7.877 6.943 4.787 1.00 0.00 C ATOM 1532 CE1 HIS A 104 9.650 6.230 3.722 1.00 0.00 C ATOM 1533 NE2 HIS A 104 8.354 5.952 4.045 1.00 0.00 N ATOM 0 H HIS A 104 7.333 10.099 3.927 1.00 0.00 H new ATOM 0 HA HIS A 104 6.953 8.974 6.566 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.421 9.922 5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.398 9.057 6.636 1.00 0.00 H new ATOM 0 HD1 HIS A 104 10.871 7.861 4.196 1.00 0.00 H new ATOM 0 HD2 HIS A 104 6.878 7.003 5.194 1.00 0.00 H new ATOM 0 HE1 HIS A 104 10.303 5.609 3.127 1.00 0.00 H new