USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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 67 CYS SG : rot -160:sc= -0.0832 USER MOD Set 1.2: A 83 THR OG1 : rot 80:sc= 0.494 USER MOD Single : A 17 GLN : amide:sc= 0.63 K(o=0.63,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.554) USER MOD Single : A 27 ASN : amide:sc= -1.63 K(o=-1.6,f=-6.3!) USER MOD Single : A 36 THR OG1 : rot -54:sc= 1.23 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 40 TYR OH : rot 165:sc= -0.0062 USER MOD Single : A 41 HIS : no HD1:sc= -0.378 X(o=-0.38,f=-0.024) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.14 USER MOD Single : A 46 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.2) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -0.391 F(o=-1.6,f=-0.39) USER MOD Single : A 57 ASN : amide:sc= -1.75 K(o=-1.7,f=-2.9) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -1.53 F(o=-2.2,f=-1.5) USER MOD Single : A 90 SER OG : rot 180:sc= -0.225 USER MOD Single : A 93 HIS : no HD1:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 95 CYS SG : rot 103:sc= -4.25! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 178:sc= -0.156 (180deg=-0.164) USER MOD Single : A 113 ASN : amide:sc= -2.17 K(o=-2.2,f=-4.4!) USER MOD Single : A 114 SER OG : rot -75:sc= 1.26 USER MOD Single : A 115 THR OG1 : rot 88:sc= 0.488 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.839 6.265 9.074 1.00 0.00 N ATOM 67 CA LEU A 8 -1.198 4.969 8.507 1.00 0.00 C ATOM 68 C LEU A 8 -2.411 5.093 7.590 1.00 0.00 C ATOM 69 O LEU A 8 -3.354 5.826 7.887 1.00 0.00 O ATOM 70 CB LEU A 8 -1.489 3.965 9.623 1.00 0.00 C ATOM 71 CG LEU A 8 -1.385 2.488 9.241 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.001 1.650 10.451 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.696 1.998 8.645 1.00 0.00 C ATOM 0 HA LEU A 8 -0.354 4.612 7.917 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.800 4.156 10.445 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.495 4.152 10.000 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.604 2.381 8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.932 0.602 10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.037 1.985 10.834 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.759 1.762 11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.604 0.945 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.496 2.119 9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.929 2.579 7.752 1.00 0.00 H new ATOM 85 N VAL A 9 -2.380 4.370 6.475 1.00 0.00 N ATOM 86 CA VAL A 9 -3.478 4.396 5.516 1.00 0.00 C ATOM 87 C VAL A 9 -4.417 3.213 5.723 1.00 0.00 C ATOM 88 O VAL A 9 -5.597 3.389 6.028 1.00 0.00 O ATOM 89 CB VAL A 9 -2.958 4.377 4.067 1.00 0.00 C ATOM 90 CG1 VAL A 9 -4.118 4.377 3.083 1.00 0.00 C ATOM 91 CG2 VAL A 9 -2.036 5.561 3.816 1.00 0.00 C ATOM 0 H VAL A 9 -1.606 3.759 6.214 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.024 5.324 5.686 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.386 3.462 3.917 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.731 4.363 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.735 3.494 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.720 5.274 3.230 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.678 5.532 2.787 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.582 6.489 3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.187 5.512 4.497 1.00 0.00 H new ATOM 101 N ARG A 10 -3.885 2.007 5.557 1.00 0.00 N ATOM 102 CA ARG A 10 -4.675 0.793 5.725 1.00 0.00 C ATOM 103 C ARG A 10 -3.904 -0.252 6.526 1.00 0.00 C ATOM 104 O ARG A 10 -2.685 -0.366 6.405 1.00 0.00 O ATOM 105 CB ARG A 10 -5.065 0.220 4.361 1.00 0.00 C ATOM 106 CG ARG A 10 -5.909 -1.041 4.449 1.00 0.00 C ATOM 107 CD ARG A 10 -7.392 -0.715 4.531 1.00 0.00 C ATOM 108 NE ARG A 10 -7.821 -0.458 5.904 1.00 0.00 N ATOM 109 CZ ARG A 10 -9.081 -0.557 6.311 1.00 0.00 C ATOM 110 NH1 ARG A 10 -10.032 -0.905 5.455 1.00 0.00 N ATOM 111 NH2 ARG A 10 -9.393 -0.308 7.576 1.00 0.00 N ATOM 0 H ARG A 10 -2.910 1.844 5.306 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.580 1.052 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.615 0.977 3.802 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.159 0.002 3.795 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.721 -1.667 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.613 -1.618 5.325 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.606 0.158 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.969 -1.544 4.120 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.114 -0.188 6.587 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.796 -1.097 4.481 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.999 -0.980 5.770 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.664 -0.040 8.238 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.361 -0.384 7.887 1.00 0.00 H new ATOM 125 N GLY A 11 -4.624 -1.012 7.345 1.00 0.00 N ATOM 126 CA GLY A 11 -3.991 -2.037 8.154 1.00 0.00 C ATOM 127 C GLY A 11 -4.913 -3.207 8.435 1.00 0.00 C ATOM 128 O GLY A 11 -5.854 -3.090 9.219 1.00 0.00 O ATOM 0 H GLY A 11 -5.634 -0.936 7.463 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.097 -2.397 7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.665 -1.600 9.098 1.00 0.00 H new ATOM 132 N GLY A 12 -4.645 -4.338 7.790 1.00 0.00 N ATOM 133 CA GLY A 12 -5.469 -5.517 7.987 1.00 0.00 C ATOM 134 C GLY A 12 -4.678 -6.804 7.859 1.00 0.00 C ATOM 135 O GLY A 12 -3.581 -6.814 7.302 1.00 0.00 O ATOM 0 H GLY A 12 -3.873 -4.459 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.930 -5.474 8.974 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.278 -5.517 7.257 1.00 0.00 H new ATOM 139 N TRP A 13 -5.236 -7.892 8.378 1.00 0.00 N ATOM 140 CA TRP A 13 -4.574 -9.191 8.321 1.00 0.00 C ATOM 141 C TRP A 13 -4.772 -9.843 6.957 1.00 0.00 C ATOM 142 O TRP A 13 -5.886 -9.881 6.432 1.00 0.00 O ATOM 143 CB TRP A 13 -5.111 -10.108 9.421 1.00 0.00 C ATOM 144 CG TRP A 13 -4.660 -9.714 10.795 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.130 -8.673 11.544 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.650 -10.353 11.583 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.473 -8.627 12.750 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.561 -9.647 12.798 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.814 -11.455 11.380 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.668 -10.008 13.804 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.928 -11.811 12.379 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.861 -11.090 13.579 1.00 0.00 C ATOM 0 H TRP A 13 -6.144 -7.901 8.843 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.507 -9.035 8.477 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.201 -10.103 9.389 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.791 -11.130 9.220 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -5.904 -7.987 11.234 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.638 -7.944 13.489 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.860 -12.018 10.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.614 -9.453 14.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.276 -12.659 12.233 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.159 -11.394 14.341 1.00 0.00 H new ATOM 163 N LEU A 14 -3.687 -10.355 6.388 1.00 0.00 N ATOM 164 CA LEU A 14 -3.741 -11.007 5.084 1.00 0.00 C ATOM 165 C LEU A 14 -2.840 -12.237 5.051 1.00 0.00 C ATOM 166 O LEU A 14 -1.729 -12.219 5.582 1.00 0.00 O ATOM 167 CB LEU A 14 -3.326 -10.028 3.985 1.00 0.00 C ATOM 168 CG LEU A 14 -4.204 -8.785 3.826 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.454 -7.693 3.080 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.498 -9.135 3.105 1.00 0.00 C ATOM 0 H LEU A 14 -2.758 -10.331 6.809 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.768 -11.327 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.304 -9.704 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.313 -10.563 3.035 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.454 -8.411 4.819 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.095 -6.817 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.557 -7.423 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.172 -8.055 2.091 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.110 -8.239 3.001 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.268 -9.534 2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.044 -9.883 3.680 1.00 0.00 H new ATOM 182 N TRP A 15 -3.325 -13.303 4.425 1.00 0.00 N ATOM 183 CA TRP A 15 -2.562 -14.541 4.321 1.00 0.00 C ATOM 184 C TRP A 15 -1.462 -14.417 3.273 1.00 0.00 C ATOM 185 O TRP A 15 -1.737 -14.187 2.095 1.00 0.00 O ATOM 186 CB TRP A 15 -3.488 -15.707 3.971 1.00 0.00 C ATOM 187 CG TRP A 15 -4.499 -16.004 5.037 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.767 -15.505 5.126 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.325 -16.867 6.166 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.392 -16.006 6.243 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.528 -16.845 6.897 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.270 -17.658 6.630 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.703 -17.582 8.066 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.445 -18.389 7.790 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.654 -18.347 8.497 1.00 0.00 C ATOM 0 H TRP A 15 -4.243 -13.335 3.982 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.096 -14.733 5.288 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.008 -15.482 3.040 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.886 -16.598 3.792 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.213 -14.818 4.422 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.344 -15.789 6.537 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.335 -17.697 6.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.634 -17.551 8.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.636 -19.003 8.158 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.760 -18.930 9.400 1.00 0.00 H new ATOM 206 N ARG A 16 -0.216 -14.571 3.708 1.00 0.00 N ATOM 207 CA ARG A 16 0.926 -14.475 2.806 1.00 0.00 C ATOM 208 C ARG A 16 1.580 -15.839 2.610 1.00 0.00 C ATOM 209 O ARG A 16 1.563 -16.681 3.508 1.00 0.00 O ATOM 210 CB ARG A 16 1.951 -13.479 3.352 1.00 0.00 C ATOM 211 CG ARG A 16 3.302 -13.556 2.660 1.00 0.00 C ATOM 212 CD ARG A 16 4.053 -12.236 2.755 1.00 0.00 C ATOM 213 NE ARG A 16 4.613 -12.020 4.086 1.00 0.00 N ATOM 214 CZ ARG A 16 5.627 -12.723 4.580 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.188 -13.681 3.856 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.081 -12.466 5.800 1.00 0.00 N ATOM 0 H ARG A 16 0.029 -14.763 4.679 1.00 0.00 H new ATOM 0 HA ARG A 16 0.566 -14.122 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.555 -12.469 3.247 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.088 -13.659 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.899 -14.349 3.112 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.161 -13.821 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.855 -12.221 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.378 -11.416 2.508 1.00 0.00 H new ATOM 0 HE ARG A 16 4.204 -11.290 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.842 -13.880 2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 16 6.966 -14.219 4.237 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.652 -11.729 6.359 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.859 -13.006 6.179 1.00 0.00 H new ATOM 230 N GLN A 17 2.155 -16.049 1.430 1.00 0.00 N ATOM 231 CA GLN A 17 2.813 -17.312 1.116 1.00 0.00 C ATOM 232 C GLN A 17 4.320 -17.120 0.978 1.00 0.00 C ATOM 233 O GLN A 17 4.799 -16.593 -0.026 1.00 0.00 O ATOM 234 CB GLN A 17 2.242 -17.902 -0.174 1.00 0.00 C ATOM 235 CG GLN A 17 2.416 -19.409 -0.283 1.00 0.00 C ATOM 236 CD GLN A 17 2.056 -19.940 -1.656 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.861 -19.889 -2.586 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.839 -20.454 -1.791 1.00 0.00 N ATOM 0 H GLN A 17 2.179 -15.362 0.677 1.00 0.00 H new ATOM 0 HA GLN A 17 2.626 -18.004 1.937 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.181 -17.662 -0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.726 -17.426 -1.027 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.450 -19.669 -0.057 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.793 -19.898 0.466 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.203 -20.476 -0.993 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.540 -20.826 -2.692 1.00 0.00 H new ATOM 331 N ARG A 23 4.264 -21.702 2.166 1.00 0.00 N ATOM 332 CA ARG A 23 3.051 -21.960 2.933 1.00 0.00 C ATOM 333 C ARG A 23 2.364 -20.654 3.319 1.00 0.00 C ATOM 334 O ARG A 23 3.015 -19.620 3.472 1.00 0.00 O ATOM 335 CB ARG A 23 3.380 -22.767 4.191 1.00 0.00 C ATOM 336 CG ARG A 23 2.190 -23.523 4.758 1.00 0.00 C ATOM 337 CD ARG A 23 2.335 -23.749 6.255 1.00 0.00 C ATOM 338 NE ARG A 23 1.233 -24.538 6.799 1.00 0.00 N ATOM 339 CZ ARG A 23 0.862 -24.501 8.074 1.00 0.00 C ATOM 340 NH1 ARG A 23 1.502 -23.717 8.931 1.00 0.00 N ATOM 341 NH2 ARG A 23 -0.151 -25.248 8.493 1.00 0.00 N ATOM 0 HA ARG A 23 2.371 -22.537 2.307 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.174 -23.477 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.768 -22.092 4.954 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.275 -22.965 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.093 -24.483 4.252 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.278 -24.257 6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.378 -22.786 6.764 1.00 0.00 H new ATOM 0 HE ARG A 23 0.720 -25.151 6.165 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.281 -23.141 8.612 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.215 -23.690 9.910 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.646 -25.851 7.836 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.435 -25.219 9.472 1.00 0.00 H new ATOM 355 N TRP A 24 1.046 -20.709 3.475 1.00 0.00 N ATOM 356 CA TRP A 24 0.270 -19.530 3.842 1.00 0.00 C ATOM 357 C TRP A 24 0.387 -19.245 5.336 1.00 0.00 C ATOM 358 O TRP A 24 0.520 -20.163 6.145 1.00 0.00 O ATOM 359 CB TRP A 24 -1.199 -19.721 3.460 1.00 0.00 C ATOM 360 CG TRP A 24 -1.427 -19.759 1.980 1.00 0.00 C ATOM 361 CD1 TRP A 24 -1.646 -20.867 1.212 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.458 -18.638 1.089 1.00 0.00 C ATOM 363 NE1 TRP A 24 -1.811 -20.503 -0.103 1.00 0.00 N ATOM 364 CE2 TRP A 24 -1.700 -19.141 -0.205 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.306 -17.260 1.257 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -1.793 -18.313 -1.320 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.398 -16.439 0.149 1.00 0.00 C ATOM 368 CH2 TRP A 24 -1.640 -16.967 -1.126 1.00 0.00 C ATOM 0 H TRP A 24 0.493 -21.557 3.353 1.00 0.00 H new ATOM 0 HA TRP A 24 0.672 -18.677 3.296 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -1.564 -20.649 3.901 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.787 -18.911 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -1.684 -21.880 1.584 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.987 -21.143 -0.877 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.120 -16.843 2.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.979 -18.718 -2.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.281 -15.372 0.268 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.707 -16.299 -1.972 1.00 0.00 H new ATOM 379 N LYS A 25 0.337 -17.967 5.695 1.00 0.00 N ATOM 380 CA LYS A 25 0.436 -17.561 7.092 1.00 0.00 C ATOM 381 C LYS A 25 -0.250 -16.217 7.318 1.00 0.00 C ATOM 382 O LYS A 25 -0.195 -15.331 6.464 1.00 0.00 O ATOM 383 CB LYS A 25 1.903 -17.474 7.517 1.00 0.00 C ATOM 384 CG LYS A 25 2.750 -16.601 6.608 1.00 0.00 C ATOM 385 CD LYS A 25 3.305 -17.391 5.434 1.00 0.00 C ATOM 386 CE LYS A 25 4.424 -18.324 5.871 1.00 0.00 C ATOM 387 NZ LYS A 25 5.573 -17.578 6.455 1.00 0.00 N ATOM 0 H LYS A 25 0.229 -17.194 5.038 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.068 -18.313 7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.955 -17.084 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.326 -18.478 7.539 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.150 -15.770 6.237 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.572 -16.170 7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.505 -17.971 4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.678 -16.703 4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.040 -19.032 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.766 -18.906 5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.428 -18.168 6.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.729 -16.702 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.366 -17.342 7.446 1.00 0.00 H new ATOM 401 N ARG A 26 -0.893 -16.071 8.472 1.00 0.00 N ATOM 402 CA ARG A 26 -1.588 -14.835 8.808 1.00 0.00 C ATOM 403 C ARG A 26 -0.597 -13.743 9.199 1.00 0.00 C ATOM 404 O ARG A 26 0.200 -13.915 10.121 1.00 0.00 O ATOM 405 CB ARG A 26 -2.575 -15.075 9.952 1.00 0.00 C ATOM 406 CG ARG A 26 -3.963 -15.480 9.484 1.00 0.00 C ATOM 407 CD ARG A 26 -4.726 -16.217 10.573 1.00 0.00 C ATOM 408 NE ARG A 26 -6.172 -16.136 10.380 1.00 0.00 N ATOM 409 CZ ARG A 26 -7.050 -16.812 11.112 1.00 0.00 C ATOM 410 NH1 ARG A 26 -6.632 -17.615 12.081 1.00 0.00 N ATOM 411 NH2 ARG A 26 -8.350 -16.685 10.876 1.00 0.00 N ATOM 0 H ARG A 26 -0.947 -16.794 9.190 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.137 -14.505 7.926 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.179 -15.853 10.605 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.653 -14.167 10.550 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.520 -14.592 9.185 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.880 -16.116 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.420 -17.263 10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.466 -15.798 11.545 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.527 -15.527 9.643 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.634 -17.715 12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.309 -18.133 12.642 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.675 -16.068 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -9.024 -17.205 11.439 1.00 0.00 H new ATOM 425 N ASN A 27 -0.652 -12.620 8.491 1.00 0.00 N ATOM 426 CA ASN A 27 0.242 -11.500 8.763 1.00 0.00 C ATOM 427 C ASN A 27 -0.527 -10.182 8.777 1.00 0.00 C ATOM 428 O ASN A 27 -1.586 -10.062 8.162 1.00 0.00 O ATOM 429 CB ASN A 27 1.355 -11.442 7.714 1.00 0.00 C ATOM 430 CG ASN A 27 2.613 -10.782 8.243 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.615 -9.595 8.569 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.693 -11.551 8.330 1.00 0.00 N ATOM 0 H ASN A 27 -1.306 -12.461 7.725 1.00 0.00 H new ATOM 0 HA ASN A 27 0.686 -11.652 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.591 -12.453 7.382 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.000 -10.894 6.841 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.569 -11.162 8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.646 -12.530 8.049 1.00 0.00 H new ATOM 439 N TRP A 28 0.015 -9.196 9.484 1.00 0.00 N ATOM 440 CA TRP A 28 -0.620 -7.886 9.578 1.00 0.00 C ATOM 441 C TRP A 28 0.137 -6.854 8.750 1.00 0.00 C ATOM 442 O TRP A 28 1.221 -6.410 9.131 1.00 0.00 O ATOM 443 CB TRP A 28 -0.690 -7.435 11.038 1.00 0.00 C ATOM 444 CG TRP A 28 -1.530 -6.210 11.241 1.00 0.00 C ATOM 445 CD1 TRP A 28 -2.893 -6.135 11.198 1.00 0.00 C ATOM 446 CD2 TRP A 28 -1.062 -4.886 11.518 1.00 0.00 C ATOM 447 NE1 TRP A 28 -3.300 -4.844 11.431 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.196 -4.058 11.632 1.00 0.00 C ATOM 449 CE3 TRP A 28 0.205 -4.319 11.683 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -2.099 -2.696 11.901 1.00 0.00 C ATOM 451 CZ3 TRP A 28 0.300 -2.967 11.951 1.00 0.00 C ATOM 452 CH2 TRP A 28 -0.846 -2.167 12.058 1.00 0.00 C ATOM 0 H TRP A 28 0.891 -9.279 10.000 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.632 -7.970 9.182 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.093 -8.247 11.643 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.320 -7.239 11.399 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.554 -6.968 11.009 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -4.268 -4.522 11.451 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.094 -4.927 11.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.981 -2.078 11.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 1.274 -2.519 12.080 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.739 -1.113 12.268 1.00 0.00 H new ATOM 463 N PHE A 29 -0.440 -6.474 7.614 1.00 0.00 N ATOM 464 CA PHE A 29 0.182 -5.494 6.732 1.00 0.00 C ATOM 465 C PHE A 29 -0.375 -4.097 6.993 1.00 0.00 C ATOM 466 O PHE A 29 -1.569 -3.929 7.236 1.00 0.00 O ATOM 467 CB PHE A 29 -0.043 -5.879 5.268 1.00 0.00 C ATOM 468 CG PHE A 29 0.890 -6.949 4.780 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.703 -8.272 5.148 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.956 -6.632 3.953 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.560 -9.259 4.700 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.816 -7.615 3.501 1.00 0.00 C ATOM 473 CZ PHE A 29 2.619 -8.930 3.876 1.00 0.00 C ATOM 0 H PHE A 29 -1.337 -6.830 7.283 1.00 0.00 H new ATOM 0 HA PHE A 29 1.252 -5.484 6.938 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.071 -6.220 5.144 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.076 -4.993 4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.123 -8.535 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.116 -5.605 3.658 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.402 -10.286 4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.642 -7.355 2.855 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.291 -9.699 3.526 1.00 0.00 H new ATOM 483 N ALA A 30 0.501 -3.099 6.941 1.00 0.00 N ATOM 484 CA ALA A 30 0.098 -1.717 7.170 1.00 0.00 C ATOM 485 C ALA A 30 0.867 -0.763 6.262 1.00 0.00 C ATOM 486 O ALA A 30 2.097 -0.797 6.208 1.00 0.00 O ATOM 487 CB ALA A 30 0.307 -1.341 8.630 1.00 0.00 C ATOM 0 H ALA A 30 1.494 -3.222 6.742 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.962 -1.630 6.931 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.002 -0.306 8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.291 -1.996 9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.361 -1.451 8.887 1.00 0.00 H new ATOM 493 N LEU A 31 0.135 0.086 5.549 1.00 0.00 N ATOM 494 CA LEU A 31 0.749 1.050 4.641 1.00 0.00 C ATOM 495 C LEU A 31 1.011 2.375 5.350 1.00 0.00 C ATOM 496 O LEU A 31 0.178 2.853 6.120 1.00 0.00 O ATOM 497 CB LEU A 31 -0.150 1.278 3.425 1.00 0.00 C ATOM 498 CG LEU A 31 0.330 2.328 2.423 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.447 1.767 1.556 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.826 2.811 1.560 1.00 0.00 C ATOM 0 H LEU A 31 -0.884 0.127 5.582 1.00 0.00 H new ATOM 0 HA LEU A 31 1.704 0.642 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.265 0.330 2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.139 1.568 3.779 1.00 0.00 H new ATOM 0 HG LEU A 31 0.722 3.180 2.979 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.776 2.528 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.285 1.472 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.082 0.898 1.009 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.465 3.558 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.249 1.968 1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.594 3.253 2.195 1.00 0.00 H new ATOM 512 N TRP A 32 2.171 2.963 5.083 1.00 0.00 N ATOM 513 CA TRP A 32 2.541 4.235 5.694 1.00 0.00 C ATOM 514 C TRP A 32 2.422 5.376 4.690 1.00 0.00 C ATOM 515 O TRP A 32 2.339 5.148 3.482 1.00 0.00 O ATOM 516 CB TRP A 32 3.969 4.165 6.238 1.00 0.00 C ATOM 517 CG TRP A 32 4.155 3.107 7.283 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.007 2.041 7.226 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.474 3.012 8.538 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.895 1.289 8.371 1.00 0.00 N ATOM 521 CE2 TRP A 32 3.963 1.864 9.192 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.500 3.787 9.175 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.508 1.474 10.449 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.050 3.397 10.422 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.555 2.250 11.049 1.00 0.00 C ATOM 0 H TRP A 32 2.871 2.580 4.448 1.00 0.00 H new ATOM 0 HA TRP A 32 1.854 4.428 6.518 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.656 3.975 5.413 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.237 5.134 6.660 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.671 1.821 6.403 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.421 0.440 8.576 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.107 4.674 8.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 3.894 0.589 10.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.296 3.987 10.922 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.184 1.973 12.025 1.00 0.00 H new ATOM 536 N LEU A 33 2.414 6.604 5.195 1.00 0.00 N ATOM 537 CA LEU A 33 2.305 7.782 4.342 1.00 0.00 C ATOM 538 C LEU A 33 3.634 8.084 3.657 1.00 0.00 C ATOM 539 O LEU A 33 3.665 8.567 2.525 1.00 0.00 O ATOM 540 CB LEU A 33 1.855 8.992 5.163 1.00 0.00 C ATOM 541 CG LEU A 33 0.478 8.885 5.817 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.185 10.251 5.893 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.401 7.905 5.053 1.00 0.00 C ATOM 0 H LEU A 33 2.482 6.810 6.192 1.00 0.00 H new ATOM 0 HA LEU A 33 1.560 7.575 3.574 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.593 9.170 5.945 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.860 9.868 4.514 1.00 0.00 H new ATOM 0 HG LEU A 33 0.608 8.510 6.832 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.164 10.155 6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.436 10.924 6.484 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.302 10.655 4.887 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.378 7.842 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.523 8.250 4.026 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.067 6.921 5.052 1.00 0.00 H new ATOM 555 N ASP A 34 4.730 7.793 4.350 1.00 0.00 N ATOM 556 CA ASP A 34 6.062 8.029 3.807 1.00 0.00 C ATOM 557 C ASP A 34 6.238 7.319 2.469 1.00 0.00 C ATOM 558 O ASP A 34 7.083 7.699 1.659 1.00 0.00 O ATOM 559 CB ASP A 34 7.130 7.555 4.795 1.00 0.00 C ATOM 560 CG ASP A 34 6.812 6.192 5.380 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.144 5.393 4.692 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.231 5.926 6.526 1.00 0.00 O ATOM 0 H ASP A 34 4.722 7.393 5.288 1.00 0.00 H new ATOM 0 HA ASP A 34 6.177 9.101 3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.095 7.515 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.222 8.281 5.602 1.00 0.00 H new ATOM 567 N GLY A 35 5.435 6.284 2.243 1.00 0.00 N ATOM 568 CA GLY A 35 5.518 5.537 1.002 1.00 0.00 C ATOM 569 C GLY A 35 6.238 4.213 1.170 1.00 0.00 C ATOM 570 O GLY A 35 7.031 3.816 0.317 1.00 0.00 O ATOM 0 H GLY A 35 4.728 5.949 2.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.512 5.355 0.623 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.037 6.137 0.254 1.00 0.00 H new ATOM 574 N THR A 36 5.962 3.527 2.275 1.00 0.00 N ATOM 575 CA THR A 36 6.591 2.242 2.554 1.00 0.00 C ATOM 576 C THR A 36 5.562 1.215 3.012 1.00 0.00 C ATOM 577 O THR A 36 4.501 1.570 3.529 1.00 0.00 O ATOM 578 CB THR A 36 7.683 2.374 3.633 1.00 0.00 C ATOM 579 OG1 THR A 36 7.118 2.895 4.841 1.00 0.00 O ATOM 580 CG2 THR A 36 8.806 3.283 3.158 1.00 0.00 C ATOM 0 H THR A 36 5.307 3.840 2.991 1.00 0.00 H new ATOM 0 HA THR A 36 7.048 1.905 1.624 1.00 0.00 H new ATOM 0 HB THR A 36 8.096 1.383 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.653 3.736 4.649 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.565 3.361 3.936 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.253 2.867 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.406 4.273 2.941 1.00 0.00 H new ATOM 588 N LEU A 37 5.880 -0.060 2.820 1.00 0.00 N ATOM 589 CA LEU A 37 4.983 -1.141 3.214 1.00 0.00 C ATOM 590 C LEU A 37 5.697 -2.138 4.121 1.00 0.00 C ATOM 591 O LEU A 37 6.655 -2.791 3.710 1.00 0.00 O ATOM 592 CB LEU A 37 4.441 -1.857 1.976 1.00 0.00 C ATOM 593 CG LEU A 37 3.147 -2.649 2.171 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.973 -1.707 2.386 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.892 -3.557 0.976 1.00 0.00 C ATOM 0 H LEU A 37 6.753 -0.371 2.394 1.00 0.00 H new ATOM 0 HA LEU A 37 4.151 -0.706 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.275 -1.115 1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.209 -2.538 1.610 1.00 0.00 H new ATOM 0 HG LEU A 37 3.255 -3.272 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.061 -2.288 2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.152 -1.099 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.863 -1.058 1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.967 -4.113 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.805 -2.953 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.721 -4.256 0.867 1.00 0.00 H new ATOM 607 N GLY A 38 5.221 -2.252 5.357 1.00 0.00 N ATOM 608 CA GLY A 38 5.824 -3.173 6.303 1.00 0.00 C ATOM 609 C GLY A 38 4.820 -4.148 6.883 1.00 0.00 C ATOM 610 O GLY A 38 3.692 -3.772 7.203 1.00 0.00 O ATOM 0 H GLY A 38 4.428 -1.723 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.620 -3.728 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.286 -2.607 7.112 1.00 0.00 H new ATOM 614 N TYR A 39 5.229 -5.405 7.019 1.00 0.00 N ATOM 615 CA TYR A 39 4.354 -6.439 7.561 1.00 0.00 C ATOM 616 C TYR A 39 4.981 -7.093 8.789 1.00 0.00 C ATOM 617 O TYR A 39 6.048 -7.701 8.706 1.00 0.00 O ATOM 618 CB TYR A 39 4.063 -7.499 6.497 1.00 0.00 C ATOM 619 CG TYR A 39 5.303 -8.028 5.813 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.814 -7.406 4.680 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.964 -9.149 6.299 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.947 -7.886 4.052 1.00 0.00 C ATOM 623 CE2 TYR A 39 7.098 -9.635 5.677 1.00 0.00 C ATOM 624 CZ TYR A 39 7.585 -9.000 4.554 1.00 0.00 C ATOM 625 OH TYR A 39 8.714 -9.482 3.931 1.00 0.00 O ATOM 0 H TYR A 39 6.160 -5.732 6.762 1.00 0.00 H new ATOM 0 HA TYR A 39 3.418 -5.968 7.860 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.532 -8.330 6.960 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.397 -7.074 5.746 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.317 -6.533 4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.585 -9.649 7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.331 -7.391 3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.600 -10.507 6.068 1.00 0.00 H new ATOM 0 HH TYR A 39 9.041 -10.271 4.411 1.00 0.00 H new ATOM 635 N TYR A 40 4.309 -6.963 9.927 1.00 0.00 N ATOM 636 CA TYR A 40 4.799 -7.539 11.174 1.00 0.00 C ATOM 637 C TYR A 40 3.932 -8.718 11.607 1.00 0.00 C ATOM 638 O TYR A 40 2.849 -8.939 11.065 1.00 0.00 O ATOM 639 CB TYR A 40 4.824 -6.478 12.275 1.00 0.00 C ATOM 640 CG TYR A 40 5.516 -5.197 11.867 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.942 -4.342 10.934 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.743 -4.843 12.413 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.570 -3.171 10.558 1.00 0.00 C ATOM 644 CE2 TYR A 40 7.378 -3.673 12.043 1.00 0.00 C ATOM 645 CZ TYR A 40 6.788 -2.841 11.115 1.00 0.00 C ATOM 646 OH TYR A 40 7.418 -1.675 10.743 1.00 0.00 O ATOM 0 H TYR A 40 3.423 -6.464 10.012 1.00 0.00 H new ATOM 0 HA TYR A 40 5.813 -7.900 11.004 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.800 -6.249 12.571 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.325 -6.888 13.152 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.989 -4.598 10.496 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.209 -5.493 13.139 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.110 -2.517 9.832 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.331 -3.412 12.478 1.00 0.00 H new ATOM 0 HH TYR A 40 8.129 -1.468 11.385 1.00 0.00 H new ATOM 656 N HIS A 41 4.418 -9.472 12.588 1.00 0.00 N ATOM 657 CA HIS A 41 3.689 -10.629 13.096 1.00 0.00 C ATOM 658 C HIS A 41 2.290 -10.229 13.556 1.00 0.00 C ATOM 659 O HIS A 41 1.293 -10.797 13.109 1.00 0.00 O ATOM 660 CB HIS A 41 4.454 -11.273 14.252 1.00 0.00 C ATOM 661 CG HIS A 41 5.751 -11.897 13.838 1.00 0.00 C ATOM 662 ND1 HIS A 41 6.268 -13.026 14.437 1.00 0.00 N ATOM 663 CD2 HIS A 41 6.636 -11.544 12.877 1.00 0.00 C ATOM 664 CE1 HIS A 41 7.415 -13.340 13.864 1.00 0.00 C ATOM 665 NE2 HIS A 41 7.662 -12.457 12.913 1.00 0.00 N ATOM 0 H HIS A 41 5.313 -9.303 13.047 1.00 0.00 H new ATOM 0 HA HIS A 41 3.594 -11.352 12.286 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.650 -10.517 15.013 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.825 -12.034 14.714 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.551 -10.701 12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.045 -14.177 14.128 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.481 -12.454 12.305 1.00 0.00 H new ATOM 674 N ASP A 42 2.224 -9.250 14.450 1.00 0.00 N ATOM 675 CA ASP A 42 0.947 -8.774 14.971 1.00 0.00 C ATOM 676 C ASP A 42 0.801 -7.270 14.760 1.00 0.00 C ATOM 677 O ASP A 42 1.712 -6.613 14.258 1.00 0.00 O ATOM 678 CB ASP A 42 0.822 -9.107 16.458 1.00 0.00 C ATOM 679 CG ASP A 42 0.896 -10.598 16.725 1.00 0.00 C ATOM 680 OD1 ASP A 42 2.022 -11.123 16.847 1.00 0.00 O ATOM 681 OD2 ASP A 42 -0.173 -11.239 16.812 1.00 0.00 O ATOM 0 H ASP A 42 3.040 -8.770 14.830 1.00 0.00 H new ATOM 0 HA ASP A 42 0.150 -9.279 14.426 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.616 -8.602 17.008 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.124 -8.720 16.836 1.00 0.00 H new ATOM 686 N GLU A 43 -0.353 -6.733 15.146 1.00 0.00 N ATOM 687 CA GLU A 43 -0.618 -5.307 14.997 1.00 0.00 C ATOM 688 C GLU A 43 0.374 -4.481 15.810 1.00 0.00 C ATOM 689 O GLU A 43 0.591 -3.301 15.534 1.00 0.00 O ATOM 690 CB GLU A 43 -2.048 -4.983 15.435 1.00 0.00 C ATOM 691 CG GLU A 43 -2.375 -5.453 16.842 1.00 0.00 C ATOM 692 CD GLU A 43 -2.810 -6.905 16.887 1.00 0.00 C ATOM 693 OE1 GLU A 43 -3.856 -7.229 16.286 1.00 0.00 O ATOM 694 OE2 GLU A 43 -2.106 -7.717 17.522 1.00 0.00 O ATOM 0 H GLU A 43 -1.118 -7.263 15.563 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.501 -5.050 13.944 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.202 -3.905 15.376 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.746 -5.443 14.736 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.500 -5.320 17.478 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.167 -4.828 17.255 1.00 0.00 H new ATOM 701 N THR A 44 0.974 -5.110 16.816 1.00 0.00 N ATOM 702 CA THR A 44 1.942 -4.434 17.671 1.00 0.00 C ATOM 703 C THR A 44 3.118 -3.904 16.859 1.00 0.00 C ATOM 704 O THR A 44 3.787 -2.955 17.266 1.00 0.00 O ATOM 705 CB THR A 44 2.474 -5.374 18.769 1.00 0.00 C ATOM 706 OG1 THR A 44 3.171 -6.475 18.176 1.00 0.00 O ATOM 707 CG2 THR A 44 1.335 -5.894 19.634 1.00 0.00 C ATOM 0 H THR A 44 0.807 -6.086 17.059 1.00 0.00 H new ATOM 0 HA THR A 44 1.421 -3.598 18.138 1.00 0.00 H new ATOM 0 HB THR A 44 3.160 -4.809 19.400 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.368 -7.146 18.863 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.735 -6.556 20.402 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.825 -5.055 20.107 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.628 -6.444 19.013 1.00 0.00 H new ATOM 715 N ALA A 45 3.363 -4.522 15.708 1.00 0.00 N ATOM 716 CA ALA A 45 4.457 -4.110 14.837 1.00 0.00 C ATOM 717 C ALA A 45 5.775 -4.055 15.601 1.00 0.00 C ATOM 718 O ALA A 45 6.551 -3.111 15.450 1.00 0.00 O ATOM 719 CB ALA A 45 4.151 -2.758 14.210 1.00 0.00 C ATOM 0 H ALA A 45 2.818 -5.310 15.357 1.00 0.00 H new ATOM 0 HA ALA A 45 4.557 -4.851 14.044 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.976 -2.462 13.562 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.235 -2.828 13.623 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.022 -2.013 14.996 1.00 0.00 H new ATOM 725 N GLN A 46 6.022 -5.071 16.421 1.00 0.00 N ATOM 726 CA GLN A 46 7.247 -5.137 17.209 1.00 0.00 C ATOM 727 C GLN A 46 8.384 -5.749 16.398 1.00 0.00 C ATOM 728 O GLN A 46 9.463 -5.166 16.285 1.00 0.00 O ATOM 729 CB GLN A 46 7.016 -5.952 18.483 1.00 0.00 C ATOM 730 CG GLN A 46 5.918 -5.393 19.373 1.00 0.00 C ATOM 731 CD GLN A 46 5.442 -6.392 20.409 1.00 0.00 C ATOM 732 OE1 GLN A 46 5.956 -7.508 20.495 1.00 0.00 O ATOM 733 NE2 GLN A 46 4.454 -5.996 21.204 1.00 0.00 N ATOM 0 H GLN A 46 5.390 -5.860 16.557 1.00 0.00 H new ATOM 0 HA GLN A 46 7.528 -4.120 17.483 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.763 -6.976 18.208 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.946 -5.995 19.051 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.284 -4.499 19.877 1.00 0.00 H new ATOM 0 HG3 GLN A 46 5.074 -5.087 18.754 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.057 -5.062 21.098 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.092 -6.626 21.920 1.00 0.00 H new ATOM 742 N ASP A 47 8.136 -6.927 15.837 1.00 0.00 N ATOM 743 CA ASP A 47 9.139 -7.618 15.035 1.00 0.00 C ATOM 744 C ASP A 47 9.019 -7.232 13.564 1.00 0.00 C ATOM 745 O ASP A 47 8.111 -7.684 12.867 1.00 0.00 O ATOM 746 CB ASP A 47 8.993 -9.132 15.192 1.00 0.00 C ATOM 747 CG ASP A 47 10.309 -9.863 15.010 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.705 -10.090 13.848 1.00 0.00 O ATOM 749 OD2 ASP A 47 10.943 -10.208 16.030 1.00 0.00 O ATOM 0 H ASP A 47 7.249 -7.424 15.923 1.00 0.00 H new ATOM 0 HA ASP A 47 10.124 -7.317 15.391 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.591 -9.355 16.180 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.272 -9.502 14.463 1.00 0.00 H new ATOM 754 N GLU A 48 9.941 -6.394 13.100 1.00 0.00 N ATOM 755 CA GLU A 48 9.936 -5.947 11.712 1.00 0.00 C ATOM 756 C GLU A 48 10.500 -7.025 10.791 1.00 0.00 C ATOM 757 O GLU A 48 11.715 -7.193 10.687 1.00 0.00 O ATOM 758 CB GLU A 48 10.749 -4.659 11.565 1.00 0.00 C ATOM 759 CG GLU A 48 10.299 -3.784 10.407 1.00 0.00 C ATOM 760 CD GLU A 48 11.294 -2.685 10.086 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.359 -2.999 9.515 1.00 0.00 O ATOM 762 OE2 GLU A 48 11.007 -1.513 10.405 1.00 0.00 O ATOM 0 H GLU A 48 10.700 -6.012 13.664 1.00 0.00 H new ATOM 0 HA GLU A 48 8.903 -5.751 11.424 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.678 -4.087 12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.799 -4.916 11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.151 -4.405 9.523 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.334 -3.337 10.648 1.00 0.00 H new ATOM 769 N GLU A 49 9.608 -7.752 10.125 1.00 0.00 N ATOM 770 CA GLU A 49 10.017 -8.815 9.214 1.00 0.00 C ATOM 771 C GLU A 49 10.730 -8.241 7.993 1.00 0.00 C ATOM 772 O GLU A 49 11.815 -8.690 7.626 1.00 0.00 O ATOM 773 CB GLU A 49 8.803 -9.633 8.772 1.00 0.00 C ATOM 774 CG GLU A 49 8.357 -10.664 9.796 1.00 0.00 C ATOM 775 CD GLU A 49 7.644 -11.844 9.164 1.00 0.00 C ATOM 776 OE1 GLU A 49 6.992 -11.650 8.116 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.737 -12.959 9.716 1.00 0.00 O ATOM 0 H GLU A 49 8.599 -7.624 10.199 1.00 0.00 H new ATOM 0 HA GLU A 49 10.711 -9.467 9.745 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.974 -8.955 8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.039 -10.141 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 49 9.226 -11.022 10.347 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.694 -10.189 10.519 1.00 0.00 H new ATOM 784 N ASP A 50 10.110 -7.245 7.368 1.00 0.00 N ATOM 785 CA ASP A 50 10.684 -6.608 6.189 1.00 0.00 C ATOM 786 C ASP A 50 9.913 -5.344 5.824 1.00 0.00 C ATOM 787 O ASP A 50 8.863 -5.058 6.401 1.00 0.00 O ATOM 788 CB ASP A 50 10.684 -7.579 5.007 1.00 0.00 C ATOM 789 CG ASP A 50 11.829 -7.324 4.047 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.845 -6.741 4.479 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.709 -7.707 2.864 1.00 0.00 O ATOM 0 H ASP A 50 9.210 -6.862 7.659 1.00 0.00 H new ATOM 0 HA ASP A 50 11.712 -6.330 6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.748 -8.601 5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.739 -7.494 4.471 1.00 0.00 H new ATOM 796 N ARG A 51 10.440 -4.590 4.865 1.00 0.00 N ATOM 797 CA ARG A 51 9.802 -3.355 4.426 1.00 0.00 C ATOM 798 C ARG A 51 10.037 -3.122 2.936 1.00 0.00 C ATOM 799 O ARG A 51 11.178 -3.103 2.473 1.00 0.00 O ATOM 800 CB ARG A 51 10.335 -2.167 5.229 1.00 0.00 C ATOM 801 CG ARG A 51 9.494 -0.909 5.087 1.00 0.00 C ATOM 802 CD ARG A 51 10.164 0.287 5.744 1.00 0.00 C ATOM 803 NE ARG A 51 11.473 0.569 5.161 1.00 0.00 N ATOM 804 CZ ARG A 51 12.597 -0.015 5.560 1.00 0.00 C ATOM 805 NH1 ARG A 51 12.572 -0.909 6.539 1.00 0.00 N ATOM 806 NH2 ARG A 51 13.750 0.295 4.980 1.00 0.00 N ATOM 0 H ARG A 51 11.308 -4.813 4.377 1.00 0.00 H new ATOM 0 HA ARG A 51 8.730 -3.449 4.597 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.384 -2.444 6.282 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.354 -1.951 4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.327 -0.699 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.515 -1.072 5.538 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.524 1.163 5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.276 0.099 6.812 1.00 0.00 H new ATOM 0 HE ARG A 51 11.527 1.252 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.688 -1.150 6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.437 -1.356 6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.773 0.983 4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.613 -0.154 5.287 1.00 0.00 H new ATOM 820 N VAL A 52 8.951 -2.946 2.192 1.00 0.00 N ATOM 821 CA VAL A 52 9.038 -2.713 0.755 1.00 0.00 C ATOM 822 C VAL A 52 8.485 -1.342 0.385 1.00 0.00 C ATOM 823 O VAL A 52 7.351 -1.004 0.728 1.00 0.00 O ATOM 824 CB VAL A 52 8.274 -3.793 -0.036 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.902 -5.161 0.185 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.805 -3.801 0.358 1.00 0.00 C ATOM 0 H VAL A 52 8.000 -2.960 2.560 1.00 0.00 H new ATOM 0 HA VAL A 52 10.095 -2.758 0.491 1.00 0.00 H new ATOM 0 HB VAL A 52 8.340 -3.557 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.349 -5.911 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.939 -5.144 -0.151 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.868 -5.410 1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.280 -4.569 -0.210 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.715 -4.012 1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.365 -2.827 0.143 1.00 0.00 H new ATOM 836 N VAL A 53 9.292 -0.554 -0.317 1.00 0.00 N ATOM 837 CA VAL A 53 8.884 0.782 -0.735 1.00 0.00 C ATOM 838 C VAL A 53 7.643 0.725 -1.619 1.00 0.00 C ATOM 839 O VAL A 53 7.516 -0.153 -2.472 1.00 0.00 O ATOM 840 CB VAL A 53 10.012 1.501 -1.499 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.566 2.891 -1.925 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.270 1.573 -0.646 1.00 0.00 C ATOM 0 H VAL A 53 10.233 -0.818 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 53 8.656 1.342 0.172 1.00 0.00 H new ATOM 0 HB VAL A 53 10.242 0.929 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.376 3.384 -2.463 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.695 2.810 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.308 3.477 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.057 2.084 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.057 2.123 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.598 0.564 -0.396 1.00 0.00 H new ATOM 852 N ILE A 54 6.730 1.668 -1.409 1.00 0.00 N ATOM 853 CA ILE A 54 5.499 1.726 -2.188 1.00 0.00 C ATOM 854 C ILE A 54 5.531 2.885 -3.179 1.00 0.00 C ATOM 855 O ILE A 54 5.103 2.747 -4.326 1.00 0.00 O ATOM 856 CB ILE A 54 4.265 1.876 -1.279 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.061 0.609 -0.446 1.00 0.00 C ATOM 858 CG2 ILE A 54 3.027 2.173 -2.113 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.586 -0.577 -1.255 1.00 0.00 C ATOM 0 H ILE A 54 6.820 2.402 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 54 5.425 0.786 -2.734 1.00 0.00 H new ATOM 0 HB ILE A 54 4.431 2.712 -0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 54 5.000 0.351 0.044 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.336 0.815 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.163 2.276 -1.457 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.175 3.100 -2.667 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.855 1.356 -2.813 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.463 -1.439 -0.599 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.631 -0.339 -1.724 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.321 -0.809 -2.026 1.00 0.00 H new ATOM 871 N HIS A 55 6.042 4.027 -2.730 1.00 0.00 N ATOM 872 CA HIS A 55 6.131 5.210 -3.579 1.00 0.00 C ATOM 873 C HIS A 55 6.620 4.840 -4.976 1.00 0.00 C ATOM 874 O HIS A 55 7.788 4.501 -5.167 1.00 0.00 O ATOM 875 CB HIS A 55 7.070 6.242 -2.954 1.00 0.00 C ATOM 876 CG HIS A 55 7.249 7.472 -3.789 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.788 7.636 -5.020 1.00 0.00 N flip ATOM 878 CD2 HIS A 55 6.852 8.727 -3.376 1.00 0.00 C flip ATOM 879 CE1 HIS A 55 7.706 8.973 -5.325 1.00 0.00 C flip ATOM 880 NE2 HIS A 55 7.137 9.609 -4.317 1.00 0.00 N flip ATOM 0 H HIS A 55 6.400 4.158 -1.784 1.00 0.00 H new ATOM 0 HA HIS A 55 5.134 5.642 -3.665 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.682 6.530 -1.977 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.044 5.781 -2.787 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.381 8.953 -2.431 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.051 9.430 -6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.950 10.611 -4.273 1.00 0.00 H new ATOM 889 N PHE A 56 5.719 4.908 -5.950 1.00 0.00 N ATOM 890 CA PHE A 56 6.058 4.579 -7.330 1.00 0.00 C ATOM 891 C PHE A 56 7.042 3.414 -7.385 1.00 0.00 C ATOM 892 O PHE A 56 8.050 3.472 -8.087 1.00 0.00 O ATOM 893 CB PHE A 56 6.654 5.798 -8.036 1.00 0.00 C ATOM 894 CG PHE A 56 5.633 6.837 -8.403 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.249 7.804 -7.488 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.057 6.846 -9.663 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.311 8.762 -7.823 1.00 0.00 C ATOM 898 CE2 PHE A 56 4.118 7.801 -10.004 1.00 0.00 C ATOM 899 CZ PHE A 56 3.743 8.759 -9.083 1.00 0.00 C ATOM 0 H PHE A 56 4.748 5.188 -5.810 1.00 0.00 H new ATOM 0 HA PHE A 56 5.142 4.283 -7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.405 6.251 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.167 5.470 -8.940 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.688 7.809 -6.501 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.345 6.098 -10.387 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.022 9.512 -7.101 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.678 7.798 -10.990 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.007 9.504 -9.347 1.00 0.00 H new ATOM 909 N ASN A 57 6.740 2.356 -6.639 1.00 0.00 N ATOM 910 CA ASN A 57 7.598 1.177 -6.601 1.00 0.00 C ATOM 911 C ASN A 57 6.810 -0.080 -6.957 1.00 0.00 C ATOM 912 O ASN A 57 7.293 -1.199 -6.782 1.00 0.00 O ATOM 913 CB ASN A 57 8.227 1.023 -5.215 1.00 0.00 C ATOM 914 CG ASN A 57 9.561 0.304 -5.263 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.542 0.826 -5.794 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.604 -0.901 -4.706 1.00 0.00 N ATOM 0 H ASN A 57 5.908 2.291 -6.053 1.00 0.00 H new ATOM 0 HA ASN A 57 8.389 1.310 -7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.364 2.008 -4.770 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.544 0.473 -4.568 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.475 -1.433 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.766 -1.295 -4.277 1.00 0.00 H new ATOM 923 N VAL A 58 5.593 0.112 -7.457 1.00 0.00 N ATOM 924 CA VAL A 58 4.739 -1.006 -7.839 1.00 0.00 C ATOM 925 C VAL A 58 4.755 -1.218 -9.349 1.00 0.00 C ATOM 926 O VAL A 58 4.652 -0.265 -10.121 1.00 0.00 O ATOM 927 CB VAL A 58 3.286 -0.784 -7.379 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.380 -1.877 -7.926 1.00 0.00 C ATOM 929 CG2 VAL A 58 3.211 -0.729 -5.860 1.00 0.00 C ATOM 0 H VAL A 58 5.177 1.031 -7.607 1.00 0.00 H new ATOM 0 HA VAL A 58 5.138 -1.893 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 58 2.941 0.172 -7.772 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.357 -1.704 -7.591 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.412 -1.864 -9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.721 -2.847 -7.564 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.177 -0.572 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.575 -1.668 -5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.827 0.092 -5.495 1.00 0.00 H new ATOM 939 N ARG A 59 4.885 -2.475 -9.763 1.00 0.00 N ATOM 940 CA ARG A 59 4.915 -2.813 -11.180 1.00 0.00 C ATOM 941 C ARG A 59 3.545 -3.287 -11.655 1.00 0.00 C ATOM 942 O ARG A 59 3.138 -3.011 -12.784 1.00 0.00 O ATOM 943 CB ARG A 59 5.962 -3.896 -11.446 1.00 0.00 C ATOM 944 CG ARG A 59 6.376 -3.999 -12.904 1.00 0.00 C ATOM 945 CD ARG A 59 7.427 -2.958 -13.259 1.00 0.00 C ATOM 946 NE ARG A 59 7.738 -2.959 -14.687 1.00 0.00 N ATOM 947 CZ ARG A 59 8.842 -2.426 -15.199 1.00 0.00 C ATOM 948 NH1 ARG A 59 9.736 -1.854 -14.404 1.00 0.00 N ATOM 949 NH2 ARG A 59 9.053 -2.466 -16.508 1.00 0.00 N ATOM 0 H ARG A 59 4.971 -3.275 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 59 5.182 -1.915 -11.736 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.845 -3.692 -10.840 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.567 -4.858 -11.121 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.768 -4.996 -13.102 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.502 -3.868 -13.542 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.072 -1.970 -12.966 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.336 -3.152 -12.690 1.00 0.00 H new ATOM 0 HE ARG A 59 7.071 -3.393 -15.325 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.577 -1.823 -13.397 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.583 -1.446 -14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.367 -2.906 -17.122 1.00 0.00 H new ATOM 0 HH22 ARG A 59 9.901 -2.057 -16.901 1.00 0.00 H new ATOM 963 N ASP A 60 2.839 -4.003 -10.787 1.00 0.00 N ATOM 964 CA ASP A 60 1.514 -4.516 -11.118 1.00 0.00 C ATOM 965 C ASP A 60 0.873 -5.184 -9.906 1.00 0.00 C ATOM 966 O ASP A 60 1.563 -5.588 -8.969 1.00 0.00 O ATOM 967 CB ASP A 60 1.603 -5.510 -12.277 1.00 0.00 C ATOM 968 CG ASP A 60 2.649 -6.581 -12.041 1.00 0.00 C ATOM 969 OD1 ASP A 60 3.851 -6.282 -12.201 1.00 0.00 O ATOM 970 OD2 ASP A 60 2.266 -7.720 -11.699 1.00 0.00 O ATOM 0 H ASP A 60 3.162 -4.241 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 60 0.890 -3.675 -11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 60 0.631 -5.981 -12.423 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.838 -4.973 -13.196 1.00 0.00 H new ATOM 975 N ILE A 61 -0.451 -5.298 -9.930 1.00 0.00 N ATOM 976 CA ILE A 61 -1.185 -5.917 -8.834 1.00 0.00 C ATOM 977 C ILE A 61 -2.345 -6.758 -9.355 1.00 0.00 C ATOM 978 O ILE A 61 -3.264 -6.242 -9.993 1.00 0.00 O ATOM 979 CB ILE A 61 -1.730 -4.862 -7.854 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.576 -4.117 -7.179 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.625 -5.517 -6.813 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.021 -2.913 -6.377 1.00 0.00 C ATOM 0 H ILE A 61 -1.037 -4.969 -10.697 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.481 -6.561 -8.307 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.325 -4.141 -8.414 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.045 -4.805 -6.522 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.133 -3.794 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.002 -4.758 -6.128 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.463 -6.006 -7.310 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.052 -6.257 -6.255 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.151 -2.434 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.526 -2.205 -7.034 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.706 -3.232 -5.592 1.00 0.00 H new ATOM 994 N LYS A 62 -2.299 -8.057 -9.078 1.00 0.00 N ATOM 995 CA LYS A 62 -3.347 -8.971 -9.516 1.00 0.00 C ATOM 996 C LYS A 62 -4.215 -9.407 -8.339 1.00 0.00 C ATOM 997 O LYS A 62 -3.712 -9.656 -7.243 1.00 0.00 O ATOM 998 CB LYS A 62 -2.733 -10.198 -10.192 1.00 0.00 C ATOM 999 CG LYS A 62 -1.888 -9.863 -11.409 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.118 -11.075 -11.905 1.00 0.00 C ATOM 1001 CE LYS A 62 -0.330 -10.757 -13.166 1.00 0.00 C ATOM 1002 NZ LYS A 62 0.180 -11.991 -13.827 1.00 0.00 N ATOM 0 H LYS A 62 -1.546 -8.501 -8.552 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.976 -8.445 -10.234 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.117 -10.731 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.532 -10.876 -10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.530 -9.487 -12.206 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.189 -9.064 -11.159 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.437 -11.418 -11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.812 -11.892 -12.105 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.964 -10.208 -13.862 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.508 -10.106 -12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.712 -11.732 -14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.805 -12.502 -13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.621 -12.601 -14.088 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.520 -9.498 -8.574 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.457 -9.907 -7.534 1.00 0.00 C ATOM 1018 C VAL A 63 -7.397 -10.996 -8.038 1.00 0.00 C ATOM 1019 O VAL A 63 -7.926 -10.910 -9.145 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.293 -8.715 -7.032 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.312 -9.174 -6.000 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.389 -7.635 -6.457 1.00 0.00 C ATOM 0 H VAL A 63 -5.952 -9.294 -9.475 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.862 -10.298 -6.708 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.834 -8.291 -7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.893 -8.318 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.979 -9.909 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.794 -9.624 -5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.996 -6.800 -6.107 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.819 -8.044 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.703 -7.286 -7.229 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.599 -12.022 -7.217 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.476 -13.114 -7.597 1.00 0.00 C ATOM 1034 C GLY A 64 -7.975 -13.862 -8.817 1.00 0.00 C ATOM 1035 O GLY A 64 -6.795 -14.198 -8.905 1.00 0.00 O ATOM 0 H GLY A 64 -7.171 -12.116 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.570 -13.808 -6.762 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.473 -12.722 -7.799 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.875 -14.125 -9.759 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.518 -14.841 -10.978 1.00 0.00 C ATOM 1041 C GLN A 65 -7.190 -14.338 -11.534 1.00 0.00 C ATOM 1042 O GLN A 65 -6.317 -15.129 -11.892 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.618 -14.682 -12.029 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.890 -13.236 -12.411 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.010 -13.101 -13.424 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -10.897 -13.567 -14.558 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -12.101 -12.462 -13.018 1.00 0.00 N ATOM 0 H GLN A 65 -9.856 -13.853 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.412 -15.897 -10.732 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.338 -15.239 -12.923 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.538 -15.128 -11.651 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.145 -12.669 -11.515 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.981 -12.795 -12.819 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.152 -12.092 -12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.888 -12.341 -13.655 1.00 0.00 H new ATOM 1056 N GLU A 66 -7.045 -13.019 -11.606 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.824 -12.411 -12.120 1.00 0.00 C ATOM 1058 C GLU A 66 -4.592 -13.169 -11.633 1.00 0.00 C ATOM 1059 O GLU A 66 -3.724 -13.538 -12.424 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.737 -10.945 -11.692 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.893 -10.095 -12.191 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.521 -8.633 -12.340 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.731 -8.134 -11.512 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.021 -7.987 -13.285 1.00 0.00 O ATOM 0 H GLU A 66 -7.758 -12.351 -11.315 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.854 -12.462 -13.208 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.703 -10.895 -10.604 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.802 -10.523 -12.060 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.233 -10.479 -13.153 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.730 -10.184 -11.498 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.524 -13.397 -10.326 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.399 -14.109 -9.731 1.00 0.00 C ATOM 1073 C CYS A 67 -3.163 -15.439 -10.439 1.00 0.00 C ATOM 1074 O CYS A 67 -4.109 -16.142 -10.791 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.649 -14.347 -8.241 1.00 0.00 C ATOM 1076 SG CYS A 67 -3.374 -12.892 -7.205 1.00 0.00 S ATOM 0 H CYS A 67 -5.235 -13.099 -9.658 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.508 -13.493 -9.847 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.676 -14.687 -8.106 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.999 -15.152 -7.898 1.00 0.00 H new ATOM 0 HG CYS A 67 -3.193 -13.265 -5.973 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.180 -20.849 -3.353 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.836 -20.268 -2.178 1.00 0.00 C ATOM 1146 C PRO A 72 -5.784 -21.193 -0.967 1.00 0.00 C ATOM 1147 O PRO A 72 -5.995 -22.402 -1.070 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.282 -20.072 -2.640 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.475 -21.081 -3.719 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.143 -21.214 -4.405 1.00 0.00 C ATOM 0 HA PRO A 72 -5.349 -19.348 -1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.984 -20.229 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.446 -19.060 -3.010 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.799 -22.037 -3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.245 -20.760 -4.421 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -5.977 -22.229 -4.767 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.067 -20.551 -5.267 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.497 -20.615 0.209 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.412 -21.370 1.462 1.00 0.00 C ATOM 1160 C PRO A 73 -6.773 -21.872 1.930 1.00 0.00 C ATOM 1161 O PRO A 73 -7.810 -21.429 1.438 1.00 0.00 O ATOM 1162 CB PRO A 73 -4.849 -20.348 2.454 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.247 -19.024 1.900 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.234 -19.179 0.405 1.00 0.00 C ATOM 0 HA PRO A 73 -4.800 -22.266 1.357 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.259 -20.499 3.453 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.766 -20.433 2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.237 -18.735 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.555 -18.244 2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -5.997 -18.562 -0.070 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.275 -18.884 -0.021 1.00 0.00 H new ATOM 1172 N GLU A 74 -6.762 -22.799 2.883 1.00 0.00 N ATOM 1173 CA GLU A 74 -7.997 -23.361 3.416 1.00 0.00 C ATOM 1174 C GLU A 74 -8.899 -22.262 3.972 1.00 0.00 C ATOM 1175 O GLU A 74 -8.447 -21.385 4.707 1.00 0.00 O ATOM 1176 CB GLU A 74 -7.687 -24.384 4.511 1.00 0.00 C ATOM 1177 CG GLU A 74 -8.891 -25.212 4.928 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.054 -26.466 4.090 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.347 -26.339 2.883 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -8.890 -27.574 4.643 1.00 0.00 O ATOM 0 H GLU A 74 -5.912 -23.176 3.301 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.521 -23.860 2.601 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.901 -25.052 4.160 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.295 -23.862 5.384 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.790 -25.491 5.977 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.792 -24.604 4.845 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.178 -22.317 3.614 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.124 -21.322 4.084 1.00 0.00 C ATOM 1189 C GLY A 75 -11.309 -20.186 3.098 1.00 0.00 C ATOM 1190 O GLY A 75 -12.406 -19.979 2.579 1.00 0.00 O ATOM 0 H GLY A 75 -10.576 -23.033 3.007 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.087 -21.799 4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.780 -20.920 5.037 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.235 -19.448 2.839 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.285 -18.325 1.911 1.00 0.00 C ATOM 1196 C ARG A 76 -10.898 -18.748 0.579 1.00 0.00 C ATOM 1197 O ARG A 76 -11.358 -19.879 0.428 1.00 0.00 O ATOM 1198 CB ARG A 76 -8.881 -17.762 1.682 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.491 -16.677 2.672 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.061 -16.953 4.055 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.376 -16.343 4.237 1.00 0.00 N ATOM 1202 CZ ARG A 76 -11.271 -16.776 5.118 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.994 -17.816 5.893 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -12.445 -16.168 5.225 1.00 0.00 N ATOM 0 H ARG A 76 -9.319 -19.608 3.259 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.913 -17.550 2.351 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.158 -18.575 1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.821 -17.358 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -7.405 -16.611 2.732 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.850 -15.712 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.137 -18.030 4.208 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -8.376 -16.571 4.812 1.00 0.00 H new ATOM 0 HE ARG A 76 -10.620 -15.541 3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.092 -18.285 5.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.683 -18.146 6.569 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -12.661 -15.368 4.631 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.132 -16.501 5.902 1.00 0.00 H new ATOM 1218 N SER A 77 -10.900 -17.831 -0.383 1.00 0.00 N ATOM 1219 CA SER A 77 -11.460 -18.107 -1.701 1.00 0.00 C ATOM 1220 C SER A 77 -10.491 -17.687 -2.802 1.00 0.00 C ATOM 1221 O SER A 77 -9.523 -16.969 -2.552 1.00 0.00 O ATOM 1222 CB SER A 77 -12.794 -17.378 -1.874 1.00 0.00 C ATOM 1223 OG SER A 77 -13.789 -17.925 -1.027 1.00 0.00 O ATOM 0 H SER A 77 -10.520 -16.891 -0.275 1.00 0.00 H new ATOM 0 HA SER A 77 -11.628 -19.181 -1.780 1.00 0.00 H new ATOM 0 HB2 SER A 77 -12.665 -16.319 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.118 -17.448 -2.912 1.00 0.00 H new ATOM 0 HG SER A 77 -14.631 -17.440 -1.156 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.759 -18.141 -4.022 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.911 -17.815 -5.162 1.00 0.00 C ATOM 1231 C ARG A 78 -9.860 -16.306 -5.387 1.00 0.00 C ATOM 1232 O ARG A 78 -8.786 -15.731 -5.564 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.424 -18.512 -6.423 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.825 -19.892 -6.643 1.00 0.00 C ATOM 1235 CD ARG A 78 -8.454 -19.806 -7.297 1.00 0.00 C ATOM 1236 NE ARG A 78 -8.543 -19.431 -8.706 1.00 0.00 N ATOM 1237 CZ ARG A 78 -7.500 -19.037 -9.428 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -6.296 -18.967 -8.877 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -7.661 -18.713 -10.705 1.00 0.00 N ATOM 0 H ARG A 78 -11.557 -18.736 -4.246 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.903 -18.168 -4.945 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.509 -18.601 -6.363 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.203 -17.887 -7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.742 -20.410 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.492 -20.484 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.844 -19.076 -6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.949 -20.768 -7.209 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.455 -19.474 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.169 -19.216 -7.896 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.497 -18.664 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.586 -18.767 -11.132 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.860 -18.410 -11.259 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.027 -15.673 -5.380 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.116 -14.231 -5.583 1.00 0.00 C ATOM 1255 C ASP A 79 -10.288 -13.484 -4.543 1.00 0.00 C ATOM 1256 O ASP A 79 -9.753 -12.410 -4.815 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.574 -13.774 -5.517 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.456 -14.507 -6.509 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.755 -15.696 -6.273 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -13.848 -13.890 -7.522 1.00 0.00 O ATOM 0 H ASP A 79 -11.925 -16.135 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.717 -14.003 -6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.956 -13.933 -4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.625 -12.703 -5.712 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.189 -14.059 -3.348 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.426 -13.433 -2.284 1.00 0.00 C ATOM 1267 C GLY A 80 -7.971 -13.229 -2.657 1.00 0.00 C ATOM 1268 O GLY A 80 -7.349 -12.248 -2.247 1.00 0.00 O ATOM 0 H GLY A 80 -10.624 -14.947 -3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.873 -12.470 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.485 -14.050 -1.387 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.425 -14.156 -3.436 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.033 -14.074 -3.864 1.00 0.00 C ATOM 1274 C LEU A 81 -5.647 -12.635 -4.188 1.00 0.00 C ATOM 1275 O LEU A 81 -6.467 -11.855 -4.673 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.801 -14.965 -5.086 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.433 -16.420 -4.796 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.270 -16.964 -3.648 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.614 -17.275 -6.042 1.00 0.00 C ATOM 0 H LEU A 81 -7.925 -14.974 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.405 -14.423 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.705 -14.954 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.006 -14.523 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.384 -16.457 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.994 -18.001 -3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.090 -16.369 -2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.326 -16.913 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.347 -18.308 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.654 -17.231 -6.365 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.970 -16.899 -6.838 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.392 -12.290 -3.920 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.896 -10.944 -4.185 1.00 0.00 C ATOM 1293 C LEU A 82 -2.371 -10.919 -4.200 1.00 0.00 C ATOM 1294 O LEU A 82 -1.726 -11.090 -3.165 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.423 -9.967 -3.132 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.646 -8.659 -2.981 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.039 -7.675 -4.072 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.881 -8.055 -1.604 1.00 0.00 C ATOM 0 H LEU A 82 -3.700 -12.923 -3.520 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.256 -10.638 -5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.458 -9.726 -3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.432 -10.474 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.583 -8.876 -3.083 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.476 -6.750 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.818 -8.107 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.106 -7.462 -4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.320 -7.125 -1.514 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.944 -7.852 -1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.547 -8.755 -0.838 1.00 0.00 H new ATOM 1310 N THR A 83 -1.798 -10.703 -5.380 1.00 0.00 N ATOM 1311 CA THR A 83 -0.350 -10.655 -5.530 1.00 0.00 C ATOM 1312 C THR A 83 0.111 -9.273 -5.978 1.00 0.00 C ATOM 1313 O THR A 83 -0.447 -8.693 -6.909 1.00 0.00 O ATOM 1314 CB THR A 83 0.146 -11.703 -6.545 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.192 -13.019 -6.094 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.651 -11.598 -6.739 1.00 0.00 C ATOM 0 H THR A 83 -2.316 -10.558 -6.247 1.00 0.00 H new ATOM 0 HA THR A 83 0.076 -10.878 -4.552 1.00 0.00 H new ATOM 0 HB THR A 83 -0.341 -11.511 -7.501 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.130 -13.206 -6.305 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.978 -12.348 -7.460 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.902 -10.604 -7.110 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.153 -11.767 -5.787 1.00 0.00 H new ATOM 1324 N VAL A 84 1.134 -8.749 -5.309 1.00 0.00 N ATOM 1325 CA VAL A 84 1.671 -7.435 -5.640 1.00 0.00 C ATOM 1326 C VAL A 84 3.051 -7.550 -6.279 1.00 0.00 C ATOM 1327 O VAL A 84 3.873 -8.364 -5.862 1.00 0.00 O ATOM 1328 CB VAL A 84 1.768 -6.537 -4.392 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.263 -5.149 -4.769 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.423 -6.460 -3.686 1.00 0.00 C ATOM 0 H VAL A 84 1.607 -9.215 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 84 0.981 -6.981 -6.352 1.00 0.00 H new ATOM 0 HB VAL A 84 2.489 -6.978 -3.704 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.325 -4.529 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.250 -5.226 -5.226 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.570 -4.695 -5.477 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.510 -5.822 -2.807 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.321 -6.043 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.115 -7.460 -3.380 1.00 0.00 H new ATOM 1340 N ASN A 85 3.298 -6.728 -7.294 1.00 0.00 N ATOM 1341 CA ASN A 85 4.579 -6.737 -7.991 1.00 0.00 C ATOM 1342 C ASN A 85 5.348 -5.445 -7.733 1.00 0.00 C ATOM 1343 O ASN A 85 4.773 -4.355 -7.741 1.00 0.00 O ATOM 1344 CB ASN A 85 4.363 -6.924 -9.494 1.00 0.00 C ATOM 1345 CG ASN A 85 4.266 -8.386 -9.886 1.00 0.00 C ATOM 1346 OD1 ASN A 85 3.113 -8.992 -9.629 1.00 0.00 O flip ATOM 1347 ND2 ASN A 85 5.217 -8.963 -10.414 1.00 0.00 N flip ATOM 0 H ASN A 85 2.628 -6.047 -7.652 1.00 0.00 H new ATOM 0 HA ASN A 85 5.167 -7.571 -7.608 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.451 -6.409 -9.794 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.185 -6.459 -10.037 1.00 0.00 H new ATOM 0 HD21 ASN A 85 6.085 -8.458 -10.593 1.00 0.00 H new ATOM 0 HD22 ASN A 85 5.137 -9.946 -10.673 1.00 0.00 H new ATOM 1354 N LEU A 86 6.650 -5.574 -7.504 1.00 0.00 N ATOM 1355 CA LEU A 86 7.499 -4.416 -7.244 1.00 0.00 C ATOM 1356 C LEU A 86 8.326 -4.060 -8.476 1.00 0.00 C ATOM 1357 O LEU A 86 8.836 -4.940 -9.169 1.00 0.00 O ATOM 1358 CB LEU A 86 8.424 -4.694 -6.058 1.00 0.00 C ATOM 1359 CG LEU A 86 7.736 -4.967 -4.720 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.751 -5.415 -3.679 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.990 -3.729 -4.242 1.00 0.00 C ATOM 0 H LEU A 86 7.141 -6.468 -7.493 1.00 0.00 H new ATOM 0 HA LEU A 86 6.855 -3.570 -7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.049 -5.552 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.090 -3.840 -5.934 1.00 0.00 H new ATOM 0 HG LEU A 86 7.013 -5.771 -4.862 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.243 -5.605 -2.733 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.240 -6.328 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.498 -4.634 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.506 -3.941 -3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.694 -2.906 -4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.235 -3.452 -4.978 1.00 0.00 H new ATOM 1373 N ARG A 87 8.455 -2.764 -8.740 1.00 0.00 N ATOM 1374 CA ARG A 87 9.221 -2.291 -9.887 1.00 0.00 C ATOM 1375 C ARG A 87 10.595 -2.954 -9.934 1.00 0.00 C ATOM 1376 O ARG A 87 11.166 -3.144 -11.007 1.00 0.00 O ATOM 1377 CB ARG A 87 9.378 -0.771 -9.831 1.00 0.00 C ATOM 1378 CG ARG A 87 10.207 -0.287 -8.653 1.00 0.00 C ATOM 1379 CD ARG A 87 10.746 1.115 -8.889 1.00 0.00 C ATOM 1380 NE ARG A 87 11.956 1.375 -8.114 1.00 0.00 N ATOM 1381 CZ ARG A 87 12.426 2.593 -7.871 1.00 0.00 C ATOM 1382 NH1 ARG A 87 11.790 3.658 -8.340 1.00 0.00 N ATOM 1383 NH2 ARG A 87 13.533 2.748 -7.156 1.00 0.00 N ATOM 0 H ARG A 87 8.039 -2.023 -8.176 1.00 0.00 H new ATOM 0 HA ARG A 87 8.676 -2.560 -10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.842 -0.428 -10.756 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.390 -0.314 -9.781 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.597 -0.296 -7.750 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.037 -0.973 -8.484 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.960 1.247 -9.950 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.982 1.846 -8.624 1.00 0.00 H new ATOM 0 HE ARG A 87 12.468 0.577 -7.739 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.938 3.543 -8.889 1.00 0.00 H new ATOM 0 HH12 ARG A 87 12.153 4.593 -8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 87 14.024 1.931 -6.792 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.893 3.684 -6.970 1.00 0.00 H new ATOM 1397 N GLU A 88 11.119 -3.302 -8.763 1.00 0.00 N ATOM 1398 CA GLU A 88 12.426 -3.942 -8.672 1.00 0.00 C ATOM 1399 C GLU A 88 12.402 -5.324 -9.317 1.00 0.00 C ATOM 1400 O GLU A 88 13.295 -5.679 -10.084 1.00 0.00 O ATOM 1401 CB GLU A 88 12.861 -4.057 -7.209 1.00 0.00 C ATOM 1402 CG GLU A 88 11.907 -4.874 -6.353 1.00 0.00 C ATOM 1403 CD GLU A 88 12.375 -5.001 -4.917 1.00 0.00 C ATOM 1404 OE1 GLU A 88 13.496 -5.509 -4.701 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.622 -4.592 -4.008 1.00 0.00 O ATOM 0 H GLU A 88 10.659 -3.152 -7.865 1.00 0.00 H new ATOM 0 HA GLU A 88 13.144 -3.322 -9.210 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.852 -4.510 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.950 -3.057 -6.785 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.921 -4.410 -6.370 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.798 -5.869 -6.785 1.00 0.00 H new ATOM 1412 N GLY A 89 11.370 -6.101 -8.999 1.00 0.00 N ATOM 1413 CA GLY A 89 11.248 -7.436 -9.555 1.00 0.00 C ATOM 1414 C GLY A 89 10.518 -8.386 -8.627 1.00 0.00 C ATOM 1415 O GLY A 89 9.560 -9.045 -9.031 1.00 0.00 O ATOM 0 H GLY A 89 10.617 -5.830 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.718 -7.383 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 89 12.242 -7.831 -9.766 1.00 0.00 H new ATOM 1419 N SER A 90 10.972 -8.459 -7.380 1.00 0.00 N ATOM 1420 CA SER A 90 10.358 -9.340 -6.393 1.00 0.00 C ATOM 1421 C SER A 90 8.872 -9.030 -6.238 1.00 0.00 C ATOM 1422 O SER A 90 8.459 -7.872 -6.297 1.00 0.00 O ATOM 1423 CB SER A 90 11.064 -9.199 -5.043 1.00 0.00 C ATOM 1424 OG SER A 90 11.016 -7.860 -4.580 1.00 0.00 O ATOM 0 H SER A 90 11.763 -7.919 -7.029 1.00 0.00 H new ATOM 0 HA SER A 90 10.462 -10.367 -6.744 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.593 -9.857 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 90 12.102 -9.518 -5.137 1.00 0.00 H new ATOM 0 HG SER A 90 11.472 -7.796 -3.715 1.00 0.00 H new ATOM 1430 N ARG A 91 8.075 -10.074 -6.039 1.00 0.00 N ATOM 1431 CA ARG A 91 6.634 -9.915 -5.876 1.00 0.00 C ATOM 1432 C ARG A 91 6.199 -10.316 -4.470 1.00 0.00 C ATOM 1433 O ARG A 91 7.014 -10.756 -3.657 1.00 0.00 O ATOM 1434 CB ARG A 91 5.887 -10.757 -6.912 1.00 0.00 C ATOM 1435 CG ARG A 91 6.122 -12.251 -6.768 1.00 0.00 C ATOM 1436 CD ARG A 91 5.749 -12.999 -8.038 1.00 0.00 C ATOM 1437 NE ARG A 91 4.397 -12.676 -8.487 1.00 0.00 N ATOM 1438 CZ ARG A 91 3.792 -13.289 -9.498 1.00 0.00 C ATOM 1439 NH1 ARG A 91 4.415 -14.254 -10.161 1.00 0.00 N ATOM 1440 NH2 ARG A 91 2.561 -12.939 -9.847 1.00 0.00 N ATOM 0 H ARG A 91 8.402 -11.039 -5.987 1.00 0.00 H new ATOM 0 HA ARG A 91 6.390 -8.864 -6.027 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.819 -10.556 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.193 -10.444 -7.910 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.170 -12.434 -6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.535 -12.634 -5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.461 -12.753 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.826 -14.072 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 91 3.890 -11.939 -7.997 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.361 -14.527 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.948 -14.723 -10.937 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.078 -12.198 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.098 -13.411 -10.624 1.00 0.00 H new ATOM 1454 N LEU A 92 4.910 -10.160 -4.189 1.00 0.00 N ATOM 1455 CA LEU A 92 4.365 -10.505 -2.880 1.00 0.00 C ATOM 1456 C LEU A 92 3.083 -11.319 -3.021 1.00 0.00 C ATOM 1457 O LEU A 92 2.135 -10.894 -3.682 1.00 0.00 O ATOM 1458 CB LEU A 92 4.092 -9.237 -2.069 1.00 0.00 C ATOM 1459 CG LEU A 92 5.276 -8.674 -1.284 1.00 0.00 C ATOM 1460 CD1 LEU A 92 5.053 -7.204 -0.963 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.499 -9.472 -0.008 1.00 0.00 C ATOM 0 H LEU A 92 4.223 -9.797 -4.850 1.00 0.00 H new ATOM 0 HA LEU A 92 5.103 -11.112 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.733 -8.465 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.283 -9.445 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 92 6.170 -8.759 -1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.906 -6.820 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.944 -6.642 -1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.148 -7.095 -0.365 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.346 -9.056 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.606 -9.420 0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.705 -10.512 -0.261 1.00 0.00 H new ATOM 1473 N HIS A 93 3.059 -12.490 -2.393 1.00 0.00 N ATOM 1474 CA HIS A 93 1.892 -13.363 -2.447 1.00 0.00 C ATOM 1475 C HIS A 93 1.014 -13.172 -1.213 1.00 0.00 C ATOM 1476 O HIS A 93 1.392 -13.552 -0.104 1.00 0.00 O ATOM 1477 CB HIS A 93 2.326 -14.825 -2.556 1.00 0.00 C ATOM 1478 CG HIS A 93 2.770 -15.216 -3.932 1.00 0.00 C ATOM 1479 ND1 HIS A 93 4.012 -14.897 -4.441 1.00 0.00 N ATOM 1480 CD2 HIS A 93 2.132 -15.906 -4.906 1.00 0.00 C ATOM 1481 CE1 HIS A 93 4.117 -15.372 -5.670 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.989 -15.989 -5.975 1.00 0.00 N ATOM 0 H HIS A 93 3.834 -12.856 -1.841 1.00 0.00 H new ATOM 0 HA HIS A 93 1.311 -13.098 -3.330 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.140 -15.007 -1.855 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.497 -15.465 -2.255 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.134 -16.315 -4.852 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.978 -15.273 -6.315 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.788 -16.452 -6.861 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.158 -12.580 -1.414 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.090 -12.338 -0.318 1.00 0.00 C ATOM 1493 C LEU A 94 -2.507 -12.746 -0.707 1.00 0.00 C ATOM 1494 O LEU A 94 -2.825 -12.870 -1.891 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.064 -10.861 0.083 1.00 0.00 C ATOM 1496 CG LEU A 94 0.320 -10.243 0.279 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.239 -8.725 0.228 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.928 -10.703 1.596 1.00 0.00 C ATOM 0 H LEU A 94 -0.486 -12.259 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.778 -12.945 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.591 -10.289 -0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.625 -10.747 1.010 1.00 0.00 H new ATOM 0 HG LEU A 94 0.965 -10.579 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.234 -8.303 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.153 -8.414 -0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.422 -8.369 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.913 -10.253 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.284 -10.397 2.421 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.023 -11.789 1.593 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.354 -12.952 0.295 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.738 -13.345 0.057 1.00 0.00 C ATOM 1512 C CYS A 95 -5.685 -12.591 0.986 1.00 0.00 C ATOM 1513 O CYS A 95 -5.324 -12.248 2.111 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.904 -14.853 0.256 1.00 0.00 C ATOM 1515 SG CYS A 95 -4.366 -15.846 -1.156 1.00 0.00 S ATOM 0 H CYS A 95 -3.107 -12.853 1.280 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.989 -13.092 -0.973 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.339 -15.157 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.953 -15.069 0.460 1.00 0.00 H new ATOM 0 HG CYS A 95 -3.203 -16.369 -0.901 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.897 -12.335 0.505 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.896 -11.622 1.292 1.00 0.00 C ATOM 1523 C ALA A 96 -9.127 -12.489 1.533 1.00 0.00 C ATOM 1524 O ALA A 96 -9.305 -13.522 0.888 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.288 -10.326 0.598 1.00 0.00 C ATOM 0 H ALA A 96 -7.211 -12.611 -0.426 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.457 -11.384 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.034 -9.804 1.197 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.408 -9.694 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.703 -10.551 -0.384 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.973 -12.062 2.465 1.00 0.00 N ATOM 1532 CA GLU A 97 -11.187 -12.801 2.791 1.00 0.00 C ATOM 1533 C GLU A 97 -12.170 -12.774 1.624 1.00 0.00 C ATOM 1534 O GLU A 97 -12.680 -13.812 1.201 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.846 -12.218 4.042 1.00 0.00 C ATOM 1536 CG GLU A 97 -12.133 -10.729 3.941 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.601 -10.134 5.255 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -13.808 -10.245 5.559 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.762 -9.559 5.978 1.00 0.00 O ATOM 0 H GLU A 97 -9.840 -11.208 3.007 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.910 -13.837 2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.780 -12.747 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.199 -12.397 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.232 -10.211 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.894 -10.560 3.179 1.00 0.00 H new ATOM 1546 N THR A 98 -12.434 -11.577 1.109 1.00 0.00 N ATOM 1547 CA THR A 98 -13.358 -11.412 -0.007 1.00 0.00 C ATOM 1548 C THR A 98 -12.773 -10.492 -1.073 1.00 0.00 C ATOM 1549 O THR A 98 -11.777 -9.808 -0.837 1.00 0.00 O ATOM 1550 CB THR A 98 -14.709 -10.842 0.462 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.517 -9.557 1.066 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.377 -11.780 1.457 1.00 0.00 C ATOM 0 H THR A 98 -12.021 -10.708 1.447 1.00 0.00 H new ATOM 0 HA THR A 98 -13.519 -12.402 -0.434 1.00 0.00 H new ATOM 0 HB THR A 98 -15.356 -10.741 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.382 -9.201 1.360 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.330 -11.356 1.774 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.549 -12.748 0.986 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.731 -11.909 2.325 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.399 -10.480 -2.245 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.940 -9.643 -3.347 1.00 0.00 C ATOM 1562 C ARG A 99 -13.014 -8.165 -2.976 1.00 0.00 C ATOM 1563 O ARG A 99 -12.121 -7.386 -3.310 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.779 -9.908 -4.599 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.253 -9.581 -4.425 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.119 -10.387 -5.380 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.539 -11.659 -4.797 1.00 0.00 N ATOM 1568 CZ ARG A 99 -16.906 -12.712 -5.519 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -16.905 -12.646 -6.843 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -17.274 -13.835 -4.916 1.00 0.00 N ATOM 0 H ARG A 99 -14.225 -11.040 -2.456 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.900 -9.896 -3.553 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.380 -9.319 -5.425 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.679 -10.957 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.554 -9.787 -3.398 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.413 -8.517 -4.597 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.999 -9.804 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.566 -10.575 -6.300 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.551 -11.743 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.622 -11.785 -7.310 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -17.187 -13.456 -7.394 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.275 -13.890 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.556 -14.643 -5.471 1.00 0.00 H new ATOM 1584 N ASP A 100 -14.082 -7.787 -2.283 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.272 -6.403 -1.865 1.00 0.00 C ATOM 1586 C ASP A 100 -13.039 -5.882 -1.133 1.00 0.00 C ATOM 1587 O ASP A 100 -12.435 -4.891 -1.542 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.503 -6.284 -0.965 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.405 -5.118 -0.001 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.839 -4.006 -0.368 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -14.894 -5.318 1.121 1.00 0.00 O ATOM 0 H ASP A 100 -14.830 -8.420 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.425 -5.797 -2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.392 -6.166 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.628 -7.208 -0.401 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.673 -6.557 -0.049 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.511 -6.162 0.740 1.00 0.00 C ATOM 1598 C ASP A 101 -10.246 -6.171 -0.112 1.00 0.00 C ATOM 1599 O ASP A 101 -9.405 -5.280 -0.001 1.00 0.00 O ATOM 1600 CB ASP A 101 -11.341 -7.098 1.938 1.00 0.00 C ATOM 1601 CG ASP A 101 -12.115 -6.628 3.154 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -11.571 -5.806 3.921 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -13.263 -7.084 3.340 1.00 0.00 O ATOM 0 H ASP A 101 -13.163 -7.379 0.303 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.676 -5.147 1.101 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.674 -8.099 1.664 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -10.283 -7.172 2.190 1.00 0.00 H new ATOM 1608 N ALA A 102 -10.119 -7.185 -0.962 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.957 -7.309 -1.834 1.00 0.00 C ATOM 1610 C ALA A 102 -8.813 -6.087 -2.734 1.00 0.00 C ATOM 1611 O ALA A 102 -7.739 -5.490 -2.819 1.00 0.00 O ATOM 1612 CB ALA A 102 -9.059 -8.575 -2.672 1.00 0.00 C ATOM 0 H ALA A 102 -10.806 -7.932 -1.065 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.068 -7.372 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.185 -8.655 -3.318 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.105 -9.444 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.960 -8.535 -3.284 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.900 -5.720 -3.405 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.893 -4.568 -4.298 1.00 0.00 C ATOM 1620 C ILE A 103 -9.403 -3.317 -3.578 1.00 0.00 C ATOM 1621 O ILE A 103 -8.630 -2.534 -4.129 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.294 -4.298 -4.878 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.791 -5.517 -5.659 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.270 -3.065 -5.769 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.298 -5.614 -5.734 1.00 0.00 C ATOM 0 H ILE A 103 -10.796 -6.204 -3.347 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.210 -4.805 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.983 -4.113 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.387 -5.480 -6.671 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.400 -6.421 -5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.267 -2.887 -6.171 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.955 -2.200 -5.185 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.570 -3.223 -6.590 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.578 -6.501 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.709 -5.683 -4.727 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.696 -4.727 -6.228 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.857 -3.136 -2.342 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.462 -1.982 -1.545 1.00 0.00 C ATOM 1639 C ALA A 104 -7.946 -1.820 -1.527 1.00 0.00 C ATOM 1640 O ALA A 104 -7.429 -0.713 -1.675 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.998 -2.112 -0.126 1.00 0.00 C ATOM 0 H ALA A 104 -10.499 -3.774 -1.871 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.891 -1.091 -2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.695 -1.243 0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -11.086 -2.171 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.597 -3.016 0.333 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.240 -2.929 -1.343 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.782 -2.909 -1.305 1.00 0.00 C ATOM 1649 C TRP A 105 -5.208 -2.488 -2.653 1.00 0.00 C ATOM 1650 O TRP A 105 -4.307 -1.651 -2.722 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.242 -4.287 -0.915 1.00 0.00 C ATOM 1652 CG TRP A 105 -5.073 -4.461 0.564 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.746 -5.335 1.368 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.173 -3.742 1.414 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.319 -5.203 2.668 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.354 -4.232 2.722 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.231 -2.732 1.197 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.627 -3.746 3.806 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.511 -2.251 2.274 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.712 -2.758 3.565 1.00 0.00 C ATOM 0 H TRP A 105 -7.653 -3.853 -1.218 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.473 -2.180 -0.556 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.920 -5.054 -1.289 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.281 -4.445 -1.405 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.503 -6.028 1.032 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.664 -5.741 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.069 -2.335 0.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.780 -4.135 4.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.781 -1.471 2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.133 -2.361 4.386 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.734 -3.072 -3.724 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.275 -2.757 -5.072 1.00 0.00 C ATOM 1673 C LYS A 106 -5.319 -1.253 -5.323 1.00 0.00 C ATOM 1674 O LYS A 106 -4.388 -0.680 -5.890 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.135 -3.483 -6.109 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.477 -3.596 -7.473 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.451 -4.105 -8.522 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.932 -3.862 -9.930 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.499 -4.832 -10.907 1.00 0.00 N ATOM 0 H LYS A 106 -6.480 -3.767 -3.685 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.243 -3.094 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.365 -4.483 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.083 -2.956 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -5.093 -2.621 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.623 -4.270 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.621 -5.172 -8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.413 -3.609 -8.397 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -6.183 -2.847 -10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -4.845 -3.937 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.120 -4.632 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.239 -5.799 -10.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.535 -4.743 -10.923 1.00 0.00 H new ATOM 1693 N THR A 107 -6.406 -0.617 -4.896 1.00 0.00 N ATOM 1694 CA THR A 107 -6.570 0.820 -5.075 1.00 0.00 C ATOM 1695 C THR A 107 -5.681 1.599 -4.112 1.00 0.00 C ATOM 1696 O THR A 107 -5.040 2.576 -4.497 1.00 0.00 O ATOM 1697 CB THR A 107 -8.035 1.248 -4.863 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.883 0.567 -5.794 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.189 2.752 -5.035 1.00 0.00 C ATOM 0 H THR A 107 -7.186 -1.075 -4.424 1.00 0.00 H new ATOM 0 HA THR A 107 -6.277 1.047 -6.100 1.00 0.00 H new ATOM 0 HB THR A 107 -8.325 0.983 -3.846 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.813 0.843 -5.652 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.231 3.031 -4.881 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.564 3.267 -4.306 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.882 3.036 -6.042 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.647 1.159 -2.858 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.834 1.814 -1.841 1.00 0.00 C ATOM 1709 C ALA A 108 -3.356 1.784 -2.216 1.00 0.00 C ATOM 1710 O ALA A 108 -2.603 2.702 -1.889 1.00 0.00 O ATOM 1711 CB ALA A 108 -5.050 1.155 -0.487 1.00 0.00 C ATOM 0 H ALA A 108 -6.173 0.352 -2.523 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.145 2.857 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.436 1.655 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.101 1.234 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.768 0.104 -0.545 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.947 0.724 -2.905 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.558 0.575 -3.324 1.00 0.00 C ATOM 1719 C LEU A 109 -1.305 1.304 -4.640 1.00 0.00 C ATOM 1720 O LEU A 109 -0.364 2.089 -4.755 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.207 -0.907 -3.473 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.161 -1.719 -2.179 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.171 -3.209 -2.483 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.066 -1.349 -1.359 1.00 0.00 C ATOM 0 H LEU A 109 -3.557 -0.044 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.923 1.018 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.935 -1.367 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.235 -0.982 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.049 -1.482 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.138 -3.771 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.080 -3.463 -3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.302 -3.462 -3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.081 -1.937 -0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.966 -1.556 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.031 -0.289 -1.109 1.00 0.00 H new ATOM 1736 N MET A 110 -2.152 1.040 -5.629 1.00 0.00 N ATOM 1737 CA MET A 110 -2.022 1.674 -6.936 1.00 0.00 C ATOM 1738 C MET A 110 -2.003 3.193 -6.803 1.00 0.00 C ATOM 1739 O MET A 110 -1.196 3.871 -7.439 1.00 0.00 O ATOM 1740 CB MET A 110 -3.170 1.244 -7.852 1.00 0.00 C ATOM 1741 CG MET A 110 -2.981 -0.138 -8.455 1.00 0.00 C ATOM 1742 SD MET A 110 -2.075 -0.098 -10.013 1.00 0.00 S ATOM 1743 CE MET A 110 -0.610 -1.031 -9.577 1.00 0.00 C ATOM 0 H MET A 110 -2.936 0.392 -5.551 1.00 0.00 H new ATOM 0 HA MET A 110 -1.077 1.354 -7.376 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.101 1.260 -7.286 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.274 1.972 -8.657 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.447 -0.770 -7.745 1.00 0.00 H new ATOM 0 HG3 MET A 110 -3.957 -0.595 -8.618 1.00 0.00 H new ATOM 0 HE1 MET A 110 0.035 -1.125 -10.451 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.072 -0.514 -8.782 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.900 -2.024 -9.232 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.898 3.722 -5.974 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.984 5.162 -5.760 1.00 0.00 C ATOM 1755 C GLU A 111 -1.644 5.723 -5.292 1.00 0.00 C ATOM 1756 O GLU A 111 -1.020 6.527 -5.983 1.00 0.00 O ATOM 1757 CB GLU A 111 -4.071 5.484 -4.733 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.442 5.707 -5.349 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.444 6.816 -6.383 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.808 7.861 -6.132 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -6.081 6.640 -7.442 1.00 0.00 O ATOM 0 H GLU A 111 -3.573 3.175 -5.440 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.243 5.630 -6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.133 4.667 -4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.782 6.376 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.782 4.782 -5.814 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.155 5.949 -4.561 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.209 5.292 -4.112 1.00 0.00 N ATOM 1769 CA ALA A 112 0.056 5.750 -3.551 1.00 0.00 C ATOM 1770 C ALA A 112 1.195 5.574 -4.550 1.00 0.00 C ATOM 1771 O ALA A 112 2.055 6.444 -4.683 1.00 0.00 O ATOM 1772 CB ALA A 112 0.363 5.002 -2.262 1.00 0.00 C ATOM 0 H ALA A 112 -1.714 4.627 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 112 -0.037 6.813 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.310 5.354 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.433 5.181 -1.539 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.431 3.934 -2.469 1.00 0.00 H new ATOM 1778 N ASN A 113 1.194 4.444 -5.249 1.00 0.00 N ATOM 1779 CA ASN A 113 2.228 4.155 -6.236 1.00 0.00 C ATOM 1780 C ASN A 113 2.224 5.197 -7.350 1.00 0.00 C ATOM 1781 O ASN A 113 3.274 5.551 -7.887 1.00 0.00 O ATOM 1782 CB ASN A 113 2.023 2.759 -6.827 1.00 0.00 C ATOM 1783 CG ASN A 113 2.521 2.656 -8.255 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.720 2.761 -8.515 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.601 2.451 -9.190 1.00 0.00 N ATOM 0 H ASN A 113 0.489 3.714 -5.150 1.00 0.00 H new ATOM 0 HA ASN A 113 3.194 4.191 -5.733 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.543 2.026 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.963 2.506 -6.796 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.877 2.374 -10.169 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.618 2.370 -8.929 1.00 0.00 H new ATOM 1792 N SER A 114 1.036 5.684 -7.693 1.00 0.00 N ATOM 1793 CA SER A 114 0.894 6.683 -8.745 1.00 0.00 C ATOM 1794 C SER A 114 0.322 7.983 -8.187 1.00 0.00 C ATOM 1795 O SER A 114 -0.444 8.677 -8.856 1.00 0.00 O ATOM 1796 CB SER A 114 -0.009 6.154 -9.861 1.00 0.00 C ATOM 1797 OG SER A 114 -1.250 5.706 -9.345 1.00 0.00 O ATOM 0 H SER A 114 0.158 5.403 -7.257 1.00 0.00 H new ATOM 0 HA SER A 114 1.884 6.887 -9.153 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.180 6.939 -10.597 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.490 5.335 -10.379 1.00 0.00 H new ATOM 0 HG SER A 114 -1.125 4.846 -8.892 1.00 0.00 H new ATOM 1803 N THR A 115 0.701 8.307 -6.955 1.00 0.00 N ATOM 1804 CA THR A 115 0.227 9.522 -6.304 1.00 0.00 C ATOM 1805 C THR A 115 1.248 10.043 -5.299 1.00 0.00 C ATOM 1806 O THR A 115 1.413 9.498 -4.207 1.00 0.00 O ATOM 1807 CB THR A 115 -1.113 9.287 -5.582 1.00 0.00 C ATOM 1808 OG1 THR A 115 -2.137 8.983 -6.537 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.514 10.510 -4.773 1.00 0.00 C ATOM 0 H THR A 115 1.335 7.745 -6.388 1.00 0.00 H new ATOM 0 HA THR A 115 0.083 10.264 -7.089 1.00 0.00 H new ATOM 0 HB THR A 115 -0.990 8.445 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.154 8.017 -6.702 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.463 10.320 -4.272 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.747 10.721 -4.028 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.620 11.367 -5.438 1.00 0.00 H new ATOM 1817 N PRO A 116 1.951 11.122 -5.673 1.00 0.00 N ATOM 1818 CA PRO A 116 2.968 11.740 -4.817 1.00 0.00 C ATOM 1819 C PRO A 116 2.359 12.435 -3.604 1.00 0.00 C ATOM 1820 O PRO A 116 1.139 12.513 -3.469 1.00 0.00 O ATOM 1821 CB PRO A 116 3.635 12.763 -5.741 1.00 0.00 C ATOM 1822 CG PRO A 116 2.598 13.085 -6.761 1.00 0.00 C ATOM 1823 CD PRO A 116 1.807 11.823 -6.961 1.00 0.00 C ATOM 0 HA PRO A 116 3.658 11.003 -4.406 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.940 13.654 -5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.532 12.352 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.956 13.898 -6.422 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.057 13.410 -7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.762 12.035 -7.188 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.199 11.230 -7.787 1.00 0.00 H new