USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 61 ASN : amide:sc= -0.822 X(o=0.02,f=-0.024) USER MOD Set 1.2: A 89 GLN : amide:sc= 0.841 K(o=0.02,f=-1.4) USER MOD Set 2.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 GLN : amide:sc= -3.88! C(o=-3.9!,f=-10!) USER MOD Single : A 8 SER OG : rot 180:sc= -0.176 USER MOD Single : A -2 SER OG : rot 121:sc= 0.293 USER MOD Single : A -4 MET CE :methyl 165:sc= -0.682 (180deg=-0.815) USER MOD Single : A -4 MET N :NH3+ -178:sc= 1.01 (180deg=0.971) USER MOD Single : A 11 THR OG1 : rot 56:sc= 0.0186 USER MOD Single : A 12 SER OG : rot 56:sc= 0.0245 USER MOD Single : A 15 SER OG : rot -28:sc= 0.329 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0.212 X(o=0.21,f=-0.12) USER MOD Single : A 27 THR OG1 : rot -161:sc= -0.844 USER MOD Single : A 32 LYS NZ :NH3+ 154:sc= -3.36! (180deg=-3.49!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc= -1.41! USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -147:sc= -2.21! (180deg=-4.76!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.0038) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc=-0.00982 (180deg=-0.12) USER MOD Single : A 47 ASN : amide:sc= 1.3 K(o=1.3,f=-0.037) USER MOD Single : A 50 ASN : amide:sc= -0.566 K(o=-0.57,f=-9.7!) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 1.25 (180deg=0.577) USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 1.23 (180deg=1.17) USER MOD Single : A 62 ASN : amide:sc= -9.1! C(o=-9.1!,f=-9.1!) USER MOD Single : A 64 HIS : no HE2:sc= -0.376! C(o=-0.38!,f=-5.5!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 1.24 (180deg=1.13) USER MOD Single : A 74 ASN : amide:sc= -0.198 K(o=-0.2,f=-1.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 141:sc= 0.712 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.23! C(o=-1.2!,f=-3.6!) USER MOD Single : A 96 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -17.431 0.535 -5.679 1.00 12.65 N ATOM 2 CA MET A -4 -17.466 -0.704 -6.493 1.00 12.53 C ATOM 3 C MET A -4 -16.410 -1.690 -6.008 1.00 12.44 C ATOM 4 O MET A -4 -15.576 -1.351 -5.168 1.00 12.69 O ATOM 5 CB MET A -4 -17.248 -0.384 -7.977 1.00 12.61 C ATOM 6 CG MET A -4 -15.891 0.227 -8.286 1.00 12.98 C ATOM 7 SD MET A -4 -15.715 0.684 -10.022 1.00 13.01 S ATOM 8 CE MET A -4 -14.046 1.330 -10.024 1.00 13.01 C ATOM 0 H1 MET A -4 -18.179 1.183 -6.000 1.00 12.65 H new ATOM 0 H2 MET A -4 -17.585 0.297 -4.678 1.00 12.65 H new ATOM 0 H3 MET A -4 -16.505 0.995 -5.787 1.00 12.65 H new ATOM 0 HA MET A -4 -18.450 -1.159 -6.378 1.00 12.53 H new ATOM 0 HB2 MET A -4 -17.363 -1.300 -8.556 1.00 12.61 H new ATOM 0 HB3 MET A -4 -18.028 0.302 -8.308 1.00 12.61 H new ATOM 0 HG2 MET A -4 -15.745 1.111 -7.665 1.00 12.98 H new ATOM 0 HG3 MET A -4 -15.108 -0.483 -8.020 1.00 12.98 H new ATOM 0 HE1 MET A -4 -13.687 1.407 -11.050 1.00 13.01 H new ATOM 0 HE2 MET A -4 -14.037 2.317 -9.561 1.00 13.01 H new ATOM 0 HE3 MET A -4 -13.396 0.660 -9.462 1.00 13.01 H new ATOM 20 N ARG A -3 -16.448 -2.907 -6.541 1.00 12.29 N ATOM 21 CA ARG A -3 -15.544 -3.965 -6.106 1.00 12.43 C ATOM 22 C ARG A -3 -14.600 -4.362 -7.236 1.00 12.49 C ATOM 23 O ARG A -3 -14.038 -5.457 -7.234 1.00 13.19 O ATOM 24 CB ARG A -3 -16.329 -5.196 -5.633 1.00 12.66 C ATOM 25 CG ARG A -3 -17.249 -4.940 -4.445 1.00 13.08 C ATOM 26 CD ARG A -3 -18.593 -4.375 -4.879 1.00 13.33 C ATOM 27 NE ARG A -3 -19.345 -5.325 -5.699 1.00 13.68 N ATOM 28 CZ ARG A -3 -20.517 -5.056 -6.280 1.00 13.98 C ATOM 29 NH1 ARG A -3 -21.066 -3.852 -6.159 1.00 13.97 N ATOM 30 NH2 ARG A -3 -21.136 -5.993 -6.987 1.00 14.46 N ATOM 0 H ARG A -3 -17.097 -3.185 -7.277 1.00 12.29 H new ATOM 0 HA ARG A -3 -14.959 -3.580 -5.271 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -16.926 -5.572 -6.464 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -15.622 -5.982 -5.366 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -17.406 -5.871 -3.900 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -16.768 -4.245 -3.757 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -19.178 -4.113 -3.998 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -18.435 -3.455 -5.442 1.00 13.33 H new ATOM 0 HE ARG A -3 -18.948 -6.254 -5.836 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -20.592 -3.127 -5.620 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -21.961 -3.653 -6.605 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -20.717 -6.917 -7.086 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -22.031 -5.789 -7.431 1.00 14.46 H new ATOM 44 N SER A -2 -14.437 -3.466 -8.198 1.00 11.93 N ATOM 45 CA SER A -2 -13.548 -3.699 -9.328 1.00 12.17 C ATOM 46 C SER A -2 -12.089 -3.550 -8.898 1.00 11.88 C ATOM 47 O SER A -2 -11.642 -2.450 -8.573 1.00 11.14 O ATOM 48 CB SER A -2 -13.870 -2.709 -10.447 1.00 12.01 C ATOM 49 OG SER A -2 -15.264 -2.682 -10.715 1.00 11.89 O ATOM 0 H SER A -2 -14.913 -2.564 -8.219 1.00 11.93 H new ATOM 0 HA SER A -2 -13.698 -4.715 -9.693 1.00 12.17 H new ATOM 0 HB2 SER A -2 -13.531 -1.712 -10.165 1.00 12.01 H new ATOM 0 HB3 SER A -2 -13.327 -2.987 -11.351 1.00 12.01 H new ATOM 0 HG SER A -2 -15.607 -1.776 -10.570 1.00 11.89 H new ATOM 55 N PRO A -1 -11.332 -4.657 -8.889 1.00 12.62 N ATOM 56 CA PRO A -1 -9.943 -4.658 -8.427 1.00 12.63 C ATOM 57 C PRO A -1 -9.007 -3.910 -9.373 1.00 12.19 C ATOM 58 O PRO A -1 -8.991 -4.162 -10.579 1.00 12.50 O ATOM 59 CB PRO A -1 -9.579 -6.144 -8.375 1.00 13.78 C ATOM 60 CG PRO A -1 -10.497 -6.799 -9.347 1.00 14.31 C ATOM 61 CD PRO A -1 -11.768 -5.994 -9.334 1.00 13.65 C ATOM 0 HA PRO A -1 -9.839 -4.148 -7.469 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -8.536 -6.305 -8.647 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -9.713 -6.548 -7.372 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -10.058 -6.817 -10.345 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -10.689 -7.834 -9.064 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -12.228 -5.957 -10.321 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -12.505 -6.421 -8.654 1.00 13.65 H new ATOM 69 N GLY A 0 -8.245 -2.980 -8.818 1.00 11.64 N ATOM 70 CA GLY A 0 -7.266 -2.252 -9.600 1.00 11.36 C ATOM 71 C GLY A 0 -7.880 -1.147 -10.435 1.00 10.34 C ATOM 72 O GLY A 0 -7.294 -0.711 -11.425 1.00 10.25 O ATOM 0 H GLY A 0 -8.287 -2.715 -7.834 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -6.521 -1.823 -8.931 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -6.743 -2.948 -10.256 1.00 11.36 H new ATOM 76 N MET A 1 -9.059 -0.692 -10.048 1.00 9.76 N ATOM 77 CA MET A 1 -9.720 0.395 -10.756 1.00 8.91 C ATOM 78 C MET A 1 -9.975 1.562 -9.818 1.00 7.94 C ATOM 79 O MET A 1 -10.187 1.370 -8.623 1.00 7.83 O ATOM 80 CB MET A 1 -11.035 -0.076 -11.379 1.00 9.07 C ATOM 81 CG MET A 1 -10.852 -1.029 -12.545 1.00 9.23 C ATOM 82 SD MET A 1 -12.413 -1.480 -13.324 1.00 9.52 S ATOM 83 CE MET A 1 -11.828 -2.514 -14.666 1.00 10.00 C ATOM 0 H MET A 1 -9.579 -1.056 -9.249 1.00 9.76 H new ATOM 0 HA MET A 1 -9.059 0.725 -11.558 1.00 8.91 H new ATOM 0 HB2 MET A 1 -11.635 -0.566 -10.612 1.00 9.07 H new ATOM 0 HB3 MET A 1 -11.598 0.794 -11.717 1.00 9.07 H new ATOM 0 HG2 MET A 1 -10.200 -0.568 -13.287 1.00 9.23 H new ATOM 0 HG3 MET A 1 -10.350 -1.932 -12.196 1.00 9.23 H new ATOM 0 HE1 MET A 1 -12.678 -2.874 -15.245 1.00 10.00 H new ATOM 0 HE2 MET A 1 -11.169 -1.934 -15.311 1.00 10.00 H new ATOM 0 HE3 MET A 1 -11.281 -3.364 -14.258 1.00 10.00 H new ATOM 93 N ALA A 2 -9.943 2.766 -10.366 1.00 7.42 N ATOM 94 CA ALA A 2 -10.172 3.968 -9.579 1.00 6.49 C ATOM 95 C ALA A 2 -11.641 4.091 -9.206 1.00 5.57 C ATOM 96 O ALA A 2 -12.509 4.228 -10.073 1.00 5.73 O ATOM 97 CB ALA A 2 -9.711 5.201 -10.340 1.00 6.46 C ATOM 0 H ALA A 2 -9.760 2.938 -11.355 1.00 7.42 H new ATOM 0 HA ALA A 2 -9.589 3.892 -8.661 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -9.890 6.090 -9.735 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -8.646 5.118 -10.556 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -10.266 5.280 -11.275 1.00 6.46 H new ATOM 103 N ASP A 3 -11.911 4.018 -7.916 1.00 4.82 N ATOM 104 CA ASP A 3 -13.268 4.136 -7.401 1.00 4.07 C ATOM 105 C ASP A 3 -13.547 5.577 -7.001 1.00 3.42 C ATOM 106 O ASP A 3 -12.623 6.374 -6.862 1.00 3.36 O ATOM 107 CB ASP A 3 -13.456 3.196 -6.211 1.00 3.92 C ATOM 108 CG ASP A 3 -14.860 3.220 -5.641 1.00 3.91 C ATOM 109 OD1 ASP A 3 -15.743 2.529 -6.189 1.00 4.05 O ATOM 110 OD2 ASP A 3 -15.083 3.931 -4.637 1.00 4.23 O ATOM 0 H ASP A 3 -11.202 3.876 -7.197 1.00 4.82 H new ATOM 0 HA ASP A 3 -13.976 3.852 -8.180 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -13.214 2.179 -6.519 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -12.749 3.468 -5.427 1.00 3.92 H new ATOM 115 N GLN A 4 -14.817 5.904 -6.831 1.00 3.34 N ATOM 116 CA GLN A 4 -15.228 7.245 -6.442 1.00 3.48 C ATOM 117 C GLN A 4 -14.659 7.624 -5.073 1.00 2.99 C ATOM 118 O GLN A 4 -14.470 8.801 -4.773 1.00 3.54 O ATOM 119 CB GLN A 4 -16.754 7.330 -6.416 1.00 4.26 C ATOM 120 CG GLN A 4 -17.394 6.395 -5.403 1.00 4.71 C ATOM 121 CD GLN A 4 -18.877 6.642 -5.234 1.00 5.51 C ATOM 122 OE1 GLN A 4 -19.704 6.033 -5.912 1.00 5.74 O ATOM 123 NE2 GLN A 4 -19.219 7.548 -4.333 1.00 6.23 N ATOM 0 H GLN A 4 -15.590 5.251 -6.958 1.00 3.34 H new ATOM 0 HA GLN A 4 -14.836 7.949 -7.176 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -17.050 8.355 -6.191 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -17.140 7.098 -7.408 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -17.235 5.363 -5.717 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -16.898 6.515 -4.440 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -18.499 8.028 -3.794 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -20.203 7.766 -4.177 1.00 6.23 H new ATOM 132 N ARG A 5 -14.407 6.622 -4.239 1.00 2.50 N ATOM 133 CA ARG A 5 -13.816 6.847 -2.932 1.00 2.68 C ATOM 134 C ARG A 5 -12.299 6.842 -3.016 1.00 2.06 C ATOM 135 O ARG A 5 -11.618 7.522 -2.249 1.00 2.58 O ATOM 136 CB ARG A 5 -14.291 5.779 -1.963 1.00 3.25 C ATOM 137 CG ARG A 5 -15.681 6.047 -1.426 1.00 4.11 C ATOM 138 CD ARG A 5 -15.686 7.186 -0.424 1.00 4.98 C ATOM 139 NE ARG A 5 -17.039 7.494 0.039 1.00 5.72 N ATOM 140 CZ ARG A 5 -17.358 7.720 1.312 1.00 6.72 C ATOM 141 NH1 ARG A 5 -16.433 7.631 2.260 1.00 7.07 N ATOM 142 NH2 ARG A 5 -18.608 8.027 1.639 1.00 7.54 N ATOM 0 H ARG A 5 -14.605 5.644 -4.449 1.00 2.50 H new ATOM 0 HA ARG A 5 -14.132 7.826 -2.572 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -14.281 4.811 -2.464 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -13.591 5.714 -1.130 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -16.350 6.286 -2.252 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -16.069 5.145 -0.953 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -15.061 6.923 0.429 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -15.247 8.073 -0.880 1.00 4.98 H new ATOM 0 HE ARG A 5 -17.784 7.538 -0.656 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -15.473 7.389 2.015 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -16.682 7.805 3.234 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -19.324 8.090 0.915 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -18.852 8.200 2.614 1.00 7.54 H new ATOM 156 N GLN A 6 -11.777 6.057 -3.944 1.00 1.28 N ATOM 157 CA GLN A 6 -10.357 5.988 -4.174 1.00 0.78 C ATOM 158 C GLN A 6 -9.890 7.138 -5.056 1.00 0.83 C ATOM 159 O GLN A 6 -9.936 7.070 -6.283 1.00 1.14 O ATOM 160 CB GLN A 6 -9.973 4.646 -4.769 1.00 0.87 C ATOM 161 CG GLN A 6 -10.339 3.483 -3.861 1.00 0.82 C ATOM 162 CD GLN A 6 -10.274 2.129 -4.546 1.00 1.10 C ATOM 163 OE1 GLN A 6 -9.417 1.878 -5.388 1.00 1.97 O ATOM 164 NE2 GLN A 6 -11.211 1.260 -4.213 1.00 1.15 N ATOM 0 H GLN A 6 -12.330 5.454 -4.553 1.00 1.28 H new ATOM 0 HA GLN A 6 -9.852 6.084 -3.213 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -10.470 4.523 -5.731 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.900 4.630 -4.960 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -9.667 3.479 -3.003 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -11.347 3.637 -3.476 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -11.907 1.505 -3.508 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -11.239 0.344 -4.660 1.00 1.15 H new ATOM 173 N ARG A 7 -9.436 8.188 -4.398 1.00 0.84 N ATOM 174 CA ARG A 7 -9.173 9.468 -5.040 1.00 1.03 C ATOM 175 C ARG A 7 -7.878 10.114 -4.562 1.00 0.98 C ATOM 176 O ARG A 7 -7.576 11.252 -4.920 1.00 1.17 O ATOM 177 CB ARG A 7 -10.348 10.389 -4.734 1.00 1.18 C ATOM 178 CG ARG A 7 -10.896 10.216 -3.323 1.00 1.16 C ATOM 179 CD ARG A 7 -9.919 10.647 -2.242 1.00 1.14 C ATOM 180 NE ARG A 7 -10.345 10.193 -0.921 1.00 1.61 N ATOM 181 CZ ARG A 7 -9.915 10.720 0.222 1.00 1.80 C ATOM 182 NH1 ARG A 7 -9.119 11.780 0.214 1.00 1.51 N ATOM 183 NH2 ARG A 7 -10.302 10.197 1.373 1.00 2.67 N ATOM 0 H ARG A 7 -9.237 8.180 -3.398 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.059 9.301 -6.111 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -10.035 11.424 -4.871 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.146 10.200 -5.452 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -11.815 10.794 -3.224 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -11.160 9.170 -3.169 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -8.930 10.246 -2.464 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -9.830 11.733 -2.243 1.00 1.14 H new ATOM 0 HE ARG A 7 -11.014 9.424 -0.872 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -8.833 12.196 -0.672 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -8.793 12.179 1.094 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -10.928 9.392 1.382 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -9.974 10.599 2.251 1.00 2.67 H new ATOM 197 N SER A 8 -7.119 9.402 -3.752 1.00 0.77 N ATOM 198 CA SER A 8 -5.931 9.964 -3.162 1.00 0.75 C ATOM 199 C SER A 8 -4.679 9.617 -3.973 1.00 0.75 C ATOM 200 O SER A 8 -4.166 10.447 -4.724 1.00 1.06 O ATOM 201 CB SER A 8 -5.822 9.420 -1.750 1.00 0.65 C ATOM 202 OG SER A 8 -7.094 9.397 -1.122 1.00 1.38 O ATOM 0 H SER A 8 -7.308 8.434 -3.491 1.00 0.77 H new ATOM 0 HA SER A 8 -6.003 11.052 -3.153 1.00 0.75 H new ATOM 0 HB2 SER A 8 -5.404 8.413 -1.774 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.135 10.036 -1.170 1.00 0.65 H new ATOM 0 HG SER A 8 -7.004 9.042 -0.213 1.00 1.38 H new ATOM 208 N LEU A 9 -4.206 8.392 -3.833 1.00 0.54 N ATOM 209 CA LEU A 9 -3.026 7.928 -4.552 1.00 0.53 C ATOM 210 C LEU A 9 -3.442 7.197 -5.833 1.00 0.55 C ATOM 211 O LEU A 9 -4.600 7.273 -6.246 1.00 0.59 O ATOM 212 CB LEU A 9 -2.135 7.037 -3.648 1.00 0.44 C ATOM 213 CG LEU A 9 -2.828 5.939 -2.824 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.342 6.488 -1.504 1.00 0.66 C ATOM 215 CD2 LEU A 9 -3.961 5.306 -3.606 1.00 0.65 C ATOM 0 H LEU A 9 -4.624 7.691 -3.221 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.428 8.794 -4.836 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.386 6.560 -4.280 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.600 7.689 -2.957 1.00 0.44 H new ATOM 0 HG LEU A 9 -2.085 5.170 -2.610 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.827 5.690 -0.942 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.508 6.884 -0.925 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -4.060 7.285 -1.696 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.434 4.533 -3.000 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.697 6.068 -3.861 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.568 4.861 -4.520 1.00 0.65 H new HETATM 227 N SEP A 10 -2.515 6.472 -6.436 1.00 0.56 N HETATM 228 CA SEP A 10 -2.801 5.756 -7.663 1.00 0.60 C HETATM 229 CB SEP A 10 -1.559 5.692 -8.553 1.00 0.74 C HETATM 230 OG SEP A 10 -1.014 6.987 -8.766 1.00 1.08 O HETATM 231 C SEP A 10 -3.260 4.358 -7.310 1.00 0.47 C HETATM 232 O SEP A 10 -2.473 3.545 -6.826 1.00 0.46 O HETATM 233 P SEP A 10 0.537 6.920 -8.325 1.00 1.55 P HETATM 234 O1P SEP A 10 1.270 5.910 -9.288 1.00 2.41 O HETATM 235 O2P SEP A 10 0.611 6.249 -6.886 1.00 2.39 O HETATM 236 O3P SEP A 10 1.073 8.311 -8.362 1.00 2.04 O HETATM 0 HB3 SEP A 10 -0.809 5.050 -8.090 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -1.817 5.241 -9.511 1.00 0.74 H new HETATM 0 HA SEP A 10 -3.583 6.278 -8.214 1.00 0.60 H new HETATM 0 H SEP A 10 -1.582 6.849 -6.271 1.00 0.56 H new ATOM 241 N THR A 11 -4.532 4.090 -7.514 1.00 0.43 N ATOM 242 CA THR A 11 -5.102 2.823 -7.126 1.00 0.36 C ATOM 243 C THR A 11 -4.747 1.713 -8.096 1.00 0.37 C ATOM 244 O THR A 11 -5.515 1.377 -8.997 1.00 0.44 O ATOM 245 CB THR A 11 -6.616 2.937 -6.968 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.160 3.752 -8.014 1.00 0.60 O ATOM 247 CG2 THR A 11 -6.936 3.540 -5.617 1.00 0.54 C ATOM 0 H THR A 11 -5.191 4.737 -7.948 1.00 0.43 H new ATOM 0 HA THR A 11 -4.668 2.558 -6.162 1.00 0.36 H new ATOM 0 HB THR A 11 -7.062 1.945 -7.034 1.00 0.44 H new ATOM 0 HG1 THR A 11 -6.895 3.388 -8.884 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.017 3.622 -5.502 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.535 2.902 -4.830 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.487 4.531 -5.545 1.00 0.54 H new ATOM 255 N SER A 12 -3.559 1.173 -7.915 1.00 0.36 N ATOM 256 CA SER A 12 -3.119 0.027 -8.669 1.00 0.40 C ATOM 257 C SER A 12 -2.620 -1.055 -7.720 1.00 0.34 C ATOM 258 O SER A 12 -1.416 -1.242 -7.539 1.00 0.41 O ATOM 259 CB SER A 12 -2.022 0.446 -9.651 1.00 0.53 C ATOM 260 OG SER A 12 -1.085 1.302 -9.020 1.00 1.26 O ATOM 0 H SER A 12 -2.876 1.519 -7.241 1.00 0.36 H new ATOM 0 HA SER A 12 -3.954 -0.379 -9.240 1.00 0.40 H new ATOM 0 HB2 SER A 12 -1.513 -0.438 -10.035 1.00 0.53 H new ATOM 0 HB3 SER A 12 -2.467 0.954 -10.507 1.00 0.53 H new ATOM 0 HG SER A 12 -0.714 0.856 -8.230 1.00 1.26 H new ATOM 266 N GLY A 13 -3.560 -1.764 -7.104 1.00 0.28 N ATOM 267 CA GLY A 13 -3.196 -2.862 -6.227 1.00 0.29 C ATOM 268 C GLY A 13 -2.512 -3.978 -6.984 1.00 0.27 C ATOM 269 O GLY A 13 -1.831 -4.821 -6.403 1.00 0.27 O ATOM 0 H GLY A 13 -4.562 -1.599 -7.195 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -2.535 -2.497 -5.441 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -4.090 -3.249 -5.737 1.00 0.29 H new ATOM 273 N GLU A 14 -2.677 -3.958 -8.294 1.00 0.28 N ATOM 274 CA GLU A 14 -2.123 -4.979 -9.162 1.00 0.26 C ATOM 275 C GLU A 14 -0.602 -4.873 -9.252 1.00 0.20 C ATOM 276 O GLU A 14 0.075 -5.849 -9.553 1.00 0.23 O ATOM 277 CB GLU A 14 -2.741 -4.858 -10.551 1.00 0.32 C ATOM 278 CG GLU A 14 -2.607 -3.467 -11.154 1.00 0.35 C ATOM 279 CD GLU A 14 -3.235 -3.370 -12.523 1.00 0.95 C ATOM 280 OE1 GLU A 14 -2.572 -3.731 -13.518 1.00 0.99 O ATOM 281 OE2 GLU A 14 -4.400 -2.934 -12.613 1.00 1.60 O ATOM 0 H GLU A 14 -3.199 -3.233 -8.786 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.362 -5.954 -8.738 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.267 -5.581 -11.215 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.797 -5.121 -10.495 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.075 -2.740 -10.490 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -1.551 -3.204 -11.222 1.00 0.35 H new ATOM 288 N SER A 15 -0.067 -3.693 -8.972 1.00 0.21 N ATOM 289 CA SER A 15 1.363 -3.458 -9.101 1.00 0.22 C ATOM 290 C SER A 15 2.120 -3.932 -7.862 1.00 0.19 C ATOM 291 O SER A 15 3.341 -3.990 -7.874 1.00 0.22 O ATOM 292 CB SER A 15 1.637 -1.974 -9.366 1.00 0.31 C ATOM 293 OG SER A 15 3.022 -1.720 -9.547 1.00 0.74 O ATOM 0 H SER A 15 -0.602 -2.884 -8.654 1.00 0.21 H new ATOM 0 HA SER A 15 1.723 -4.038 -9.950 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.090 -1.656 -10.253 1.00 0.31 H new ATOM 0 HB3 SER A 15 1.264 -1.380 -8.531 1.00 0.31 H new ATOM 0 HG SER A 15 3.544 -2.386 -9.053 1.00 0.74 H new ATOM 299 N LEU A 16 1.380 -4.283 -6.812 1.00 0.16 N ATOM 300 CA LEU A 16 1.957 -4.664 -5.512 1.00 0.14 C ATOM 301 C LEU A 16 3.194 -5.547 -5.629 1.00 0.14 C ATOM 302 O LEU A 16 4.258 -5.183 -5.134 1.00 0.16 O ATOM 303 CB LEU A 16 0.904 -5.374 -4.673 1.00 0.16 C ATOM 304 CG LEU A 16 0.297 -4.534 -3.557 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.276 -3.063 -3.936 1.00 0.16 C ATOM 306 CD2 LEU A 16 -1.104 -5.027 -3.246 1.00 0.18 C ATOM 0 H LEU A 16 0.361 -4.313 -6.833 1.00 0.16 H new ATOM 0 HA LEU A 16 2.277 -3.739 -5.032 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.103 -5.710 -5.331 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.351 -6.266 -4.234 1.00 0.16 H new ATOM 0 HG LEU A 16 0.915 -4.639 -2.665 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.162 -2.484 -3.123 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.294 -2.720 -4.118 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.319 -2.928 -4.839 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.533 -4.423 -2.447 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.725 -4.944 -4.138 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -1.061 -6.069 -2.930 1.00 0.18 H new ATOM 318 N TYR A 17 3.057 -6.694 -6.280 1.00 0.17 N ATOM 319 CA TYR A 17 4.179 -7.621 -6.418 1.00 0.20 C ATOM 320 C TYR A 17 5.349 -6.951 -7.141 1.00 0.24 C ATOM 321 O TYR A 17 6.510 -7.188 -6.821 1.00 0.34 O ATOM 322 CB TYR A 17 3.750 -8.897 -7.165 1.00 0.25 C ATOM 323 CG TYR A 17 3.377 -8.688 -8.621 1.00 0.63 C ATOM 324 CD1 TYR A 17 2.080 -8.355 -8.988 1.00 0.69 C ATOM 325 CD2 TYR A 17 4.327 -8.824 -9.629 1.00 1.22 C ATOM 326 CE1 TYR A 17 1.742 -8.163 -10.314 1.00 1.08 C ATOM 327 CE2 TYR A 17 3.995 -8.629 -10.955 1.00 1.66 C ATOM 328 CZ TYR A 17 2.702 -8.299 -11.292 1.00 1.53 C ATOM 329 OH TYR A 17 2.369 -8.097 -12.614 1.00 1.99 O ATOM 0 H TYR A 17 2.190 -7.006 -6.718 1.00 0.17 H new ATOM 0 HA TYR A 17 4.505 -7.903 -5.417 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.563 -9.622 -7.113 1.00 0.25 H new ATOM 0 HB3 TYR A 17 2.898 -9.336 -6.646 1.00 0.25 H new ATOM 0 HD1 TYR A 17 1.324 -8.244 -8.225 1.00 0.69 H new ATOM 0 HD2 TYR A 17 5.342 -9.087 -9.369 1.00 1.22 H new ATOM 0 HE1 TYR A 17 0.728 -7.907 -10.583 1.00 1.08 H new ATOM 0 HE2 TYR A 17 4.746 -8.735 -11.724 1.00 1.66 H new ATOM 0 HH TYR A 17 3.161 -8.231 -13.175 1.00 1.99 H new ATOM 339 N HIS A 18 5.021 -6.074 -8.084 1.00 0.22 N ATOM 340 CA HIS A 18 6.014 -5.407 -8.923 1.00 0.26 C ATOM 341 C HIS A 18 6.660 -4.252 -8.178 1.00 0.23 C ATOM 342 O HIS A 18 7.773 -3.827 -8.499 1.00 0.29 O ATOM 343 CB HIS A 18 5.341 -4.889 -10.202 1.00 0.31 C ATOM 344 CG HIS A 18 6.290 -4.331 -11.218 1.00 0.82 C ATOM 345 ND1 HIS A 18 6.642 -2.999 -11.271 1.00 1.62 N ATOM 346 CD2 HIS A 18 6.946 -4.929 -12.238 1.00 1.37 C ATOM 347 CE1 HIS A 18 7.467 -2.805 -12.279 1.00 1.96 C ATOM 348 NE2 HIS A 18 7.671 -3.958 -12.881 1.00 1.74 N ATOM 0 H HIS A 18 4.059 -5.804 -8.289 1.00 0.22 H new ATOM 0 HA HIS A 18 6.791 -6.126 -9.183 1.00 0.26 H new ATOM 0 HB2 HIS A 18 4.778 -5.704 -10.657 1.00 0.31 H new ATOM 0 HB3 HIS A 18 4.621 -4.116 -9.932 1.00 0.31 H new ATOM 0 HD2 HIS A 18 6.907 -5.976 -12.498 1.00 1.37 H new ATOM 0 HE1 HIS A 18 7.903 -1.859 -12.564 1.00 1.96 H new ATOM 0 HE2 HIS A 18 8.270 -4.105 -13.693 1.00 1.74 H new ATOM 357 N VAL A 19 5.947 -3.752 -7.187 1.00 0.17 N ATOM 358 CA VAL A 19 6.399 -2.634 -6.389 1.00 0.16 C ATOM 359 C VAL A 19 7.720 -2.957 -5.694 1.00 0.17 C ATOM 360 O VAL A 19 8.657 -2.154 -5.708 1.00 0.20 O ATOM 361 CB VAL A 19 5.321 -2.250 -5.343 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.878 -1.327 -4.279 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.131 -1.598 -6.027 1.00 0.19 C ATOM 0 H VAL A 19 5.033 -4.114 -6.913 1.00 0.17 H new ATOM 0 HA VAL A 19 6.563 -1.786 -7.054 1.00 0.16 H new ATOM 0 HB VAL A 19 4.996 -3.168 -4.853 1.00 0.15 H new ATOM 0 HG11 VAL A 19 5.093 -1.080 -3.564 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.698 -1.823 -3.760 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.244 -0.413 -4.746 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.382 -1.334 -5.280 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.459 -0.698 -6.547 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.698 -2.294 -6.745 1.00 0.19 H new ATOM 373 N LEU A 20 7.798 -4.146 -5.120 1.00 0.18 N ATOM 374 CA LEU A 20 8.957 -4.525 -4.318 1.00 0.24 C ATOM 375 C LEU A 20 9.647 -5.786 -4.834 1.00 0.27 C ATOM 376 O LEU A 20 10.824 -6.010 -4.552 1.00 0.33 O ATOM 377 CB LEU A 20 8.568 -4.701 -2.844 1.00 0.28 C ATOM 378 CG LEU A 20 7.077 -4.873 -2.553 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.544 -6.152 -3.169 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.831 -4.862 -1.051 1.00 0.28 C ATOM 0 H LEU A 20 7.078 -4.865 -5.192 1.00 0.18 H new ATOM 0 HA LEU A 20 9.673 -3.707 -4.406 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.096 -5.571 -2.452 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.927 -3.834 -2.289 1.00 0.28 H new ATOM 0 HG LEU A 20 6.543 -4.037 -3.004 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.481 -6.248 -2.946 1.00 0.25 H new ATOM 0 HD12 LEU A 20 6.687 -6.123 -4.249 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.080 -7.006 -2.755 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.766 -4.985 -0.856 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.382 -5.680 -0.586 1.00 0.28 H new ATOM 0 HD23 LEU A 20 7.169 -3.913 -0.634 1.00 0.28 H new ATOM 392 N GLY A 21 8.924 -6.605 -5.583 1.00 0.27 N ATOM 393 CA GLY A 21 9.483 -7.858 -6.052 1.00 0.32 C ATOM 394 C GLY A 21 9.199 -9.006 -5.100 1.00 0.34 C ATOM 395 O GLY A 21 10.040 -9.885 -4.901 1.00 0.65 O ATOM 0 H GLY A 21 7.963 -6.426 -5.874 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.071 -8.092 -7.034 1.00 0.32 H new ATOM 0 HA3 GLY A 21 10.560 -7.749 -6.176 1.00 0.32 H new ATOM 399 N LEU A 22 8.014 -8.993 -4.510 1.00 0.19 N ATOM 400 CA LEU A 22 7.590 -10.039 -3.589 1.00 0.16 C ATOM 401 C LEU A 22 6.079 -10.196 -3.705 1.00 0.17 C ATOM 402 O LEU A 22 5.390 -9.250 -4.084 1.00 0.19 O ATOM 403 CB LEU A 22 7.980 -9.680 -2.143 1.00 0.14 C ATOM 404 CG LEU A 22 8.283 -10.857 -1.189 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.491 -12.157 -1.953 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.519 -10.561 -0.360 1.00 0.18 C ATOM 0 H LEU A 22 7.320 -8.260 -4.655 1.00 0.19 H new ATOM 0 HA LEU A 22 8.085 -10.976 -3.844 1.00 0.16 H new ATOM 0 HB2 LEU A 22 8.859 -9.037 -2.178 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.172 -9.091 -1.710 1.00 0.14 H new ATOM 0 HG LEU A 22 7.420 -10.975 -0.534 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.702 -12.963 -1.250 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.590 -12.395 -2.518 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.330 -12.045 -2.639 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.719 -11.400 0.307 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.373 -10.411 -1.021 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.354 -9.660 0.230 1.00 0.18 H new ATOM 418 N ASP A 23 5.583 -11.385 -3.402 1.00 0.18 N ATOM 419 CA ASP A 23 4.150 -11.674 -3.425 1.00 0.21 C ATOM 420 C ASP A 23 3.900 -13.111 -3.031 1.00 0.23 C ATOM 421 O ASP A 23 4.252 -14.019 -3.771 1.00 0.26 O ATOM 422 CB ASP A 23 3.516 -11.420 -4.801 1.00 0.29 C ATOM 423 CG ASP A 23 4.107 -12.258 -5.920 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.294 -12.061 -6.262 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.381 -13.115 -6.467 1.00 1.13 O ATOM 0 H ASP A 23 6.160 -12.181 -3.132 1.00 0.18 H new ATOM 0 HA ASP A 23 3.686 -10.995 -2.710 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.446 -11.619 -4.739 1.00 0.29 H new ATOM 0 HB3 ASP A 23 3.630 -10.365 -5.052 1.00 0.29 H new ATOM 430 N LYS A 24 3.325 -13.289 -1.838 1.00 0.23 N ATOM 431 CA LYS A 24 2.863 -14.590 -1.302 1.00 0.28 C ATOM 432 C LYS A 24 3.872 -15.736 -1.426 1.00 0.28 C ATOM 433 O LYS A 24 3.565 -16.874 -1.075 1.00 0.34 O ATOM 434 CB LYS A 24 1.545 -15.000 -1.972 1.00 0.35 C ATOM 435 CG LYS A 24 1.620 -15.129 -3.493 1.00 0.37 C ATOM 436 CD LYS A 24 1.539 -16.578 -3.955 1.00 0.43 C ATOM 437 CE LYS A 24 2.901 -17.240 -4.050 1.00 0.50 C ATOM 438 NZ LYS A 24 2.790 -18.678 -4.399 1.00 1.42 N ATOM 0 H LYS A 24 3.160 -12.516 -1.194 1.00 0.23 H new ATOM 0 HA LYS A 24 2.727 -14.424 -0.233 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.221 -15.954 -1.555 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.780 -14.266 -1.720 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.807 -14.560 -3.944 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.552 -14.689 -3.847 1.00 0.37 H new ATOM 0 HD2 LYS A 24 0.913 -17.141 -3.263 1.00 0.43 H new ATOM 0 HD3 LYS A 24 1.052 -16.618 -4.929 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.502 -16.729 -4.802 1.00 0.50 H new ATOM 0 HE3 LYS A 24 3.423 -17.136 -3.099 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.741 -19.096 -4.455 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 2.237 -19.171 -3.669 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 2.314 -18.776 -5.318 1.00 1.42 H new ATOM 452 N ASN A 25 5.067 -15.445 -1.889 1.00 0.25 N ATOM 453 CA ASN A 25 6.105 -16.449 -1.983 1.00 0.28 C ATOM 454 C ASN A 25 6.900 -16.432 -0.704 1.00 0.25 C ATOM 455 O ASN A 25 7.387 -17.454 -0.222 1.00 0.31 O ATOM 456 CB ASN A 25 7.044 -16.187 -3.168 1.00 0.31 C ATOM 457 CG ASN A 25 6.478 -16.651 -4.496 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.679 -17.793 -4.902 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.777 -15.769 -5.187 1.00 0.37 N ATOM 0 H ASN A 25 5.346 -14.517 -2.208 1.00 0.25 H new ATOM 0 HA ASN A 25 5.636 -17.420 -2.140 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.257 -15.119 -3.225 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.993 -16.692 -2.989 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.381 -16.027 -6.091 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.632 -14.830 -4.816 1.00 0.37 H new ATOM 466 N ALA A 26 7.016 -15.237 -0.164 1.00 0.20 N ATOM 467 CA ALA A 26 7.711 -15.016 1.075 1.00 0.19 C ATOM 468 C ALA A 26 6.778 -15.200 2.240 1.00 0.19 C ATOM 469 O ALA A 26 5.552 -15.198 2.093 1.00 0.24 O ATOM 470 CB ALA A 26 8.294 -13.623 1.103 1.00 0.18 C ATOM 0 H ALA A 26 6.627 -14.390 -0.579 1.00 0.20 H new ATOM 0 HA ALA A 26 8.519 -15.743 1.152 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.818 -13.467 2.046 1.00 0.18 H new ATOM 0 HB2 ALA A 26 8.993 -13.505 0.275 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.492 -12.891 1.008 1.00 0.18 H new ATOM 476 N THR A 27 7.375 -15.350 3.389 1.00 0.21 N ATOM 477 CA THR A 27 6.650 -15.482 4.618 1.00 0.24 C ATOM 478 C THR A 27 6.359 -14.096 5.155 1.00 0.21 C ATOM 479 O THR A 27 6.726 -13.098 4.527 1.00 0.21 O ATOM 480 CB THR A 27 7.488 -16.273 5.633 1.00 0.30 C ATOM 481 OG1 THR A 27 8.569 -15.459 6.105 1.00 0.33 O ATOM 482 CG2 THR A 27 8.061 -17.512 4.973 1.00 0.35 C ATOM 0 H THR A 27 8.389 -15.384 3.498 1.00 0.21 H new ATOM 0 HA THR A 27 5.716 -16.017 4.446 1.00 0.24 H new ATOM 0 HB THR A 27 6.850 -16.562 6.468 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.260 -16.030 6.501 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.654 -18.069 5.698 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.247 -18.140 4.611 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.694 -17.218 4.135 1.00 0.35 H new ATOM 490 N SER A 28 5.719 -14.020 6.305 1.00 0.26 N ATOM 491 CA SER A 28 5.487 -12.741 6.950 1.00 0.32 C ATOM 492 C SER A 28 6.811 -12.062 7.288 1.00 0.31 C ATOM 493 O SER A 28 6.847 -10.900 7.666 1.00 0.41 O ATOM 494 CB SER A 28 4.621 -12.914 8.195 1.00 0.40 C ATOM 495 OG SER A 28 3.435 -13.632 7.888 1.00 1.54 O ATOM 0 H SER A 28 5.351 -14.825 6.811 1.00 0.26 H new ATOM 0 HA SER A 28 4.948 -12.097 6.256 1.00 0.32 H new ATOM 0 HB2 SER A 28 5.183 -13.444 8.964 1.00 0.40 H new ATOM 0 HB3 SER A 28 4.364 -11.937 8.604 1.00 0.40 H new ATOM 0 HG SER A 28 2.895 -13.733 8.699 1.00 1.54 H new ATOM 501 N ASP A 29 7.890 -12.814 7.174 1.00 0.27 N ATOM 502 CA ASP A 29 9.226 -12.281 7.367 1.00 0.34 C ATOM 503 C ASP A 29 9.727 -11.539 6.125 1.00 0.32 C ATOM 504 O ASP A 29 9.993 -10.338 6.189 1.00 0.44 O ATOM 505 CB ASP A 29 10.208 -13.398 7.727 1.00 0.38 C ATOM 506 CG ASP A 29 11.649 -12.929 7.710 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.051 -12.202 8.643 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.390 -13.298 6.771 1.00 1.68 O ATOM 0 H ASP A 29 7.866 -13.808 6.946 1.00 0.27 H new ATOM 0 HA ASP A 29 9.170 -11.569 8.191 1.00 0.34 H new ATOM 0 HB2 ASP A 29 9.967 -13.785 8.717 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.089 -14.223 7.024 1.00 0.38 H new ATOM 513 N ASP A 30 9.820 -12.231 4.985 1.00 0.22 N ATOM 514 CA ASP A 30 10.557 -11.678 3.845 1.00 0.21 C ATOM 515 C ASP A 30 9.754 -10.610 3.127 1.00 0.16 C ATOM 516 O ASP A 30 10.316 -9.618 2.663 1.00 0.17 O ATOM 517 CB ASP A 30 10.988 -12.769 2.871 1.00 0.23 C ATOM 518 CG ASP A 30 12.196 -12.355 2.060 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.316 -12.350 2.613 1.00 1.22 O ATOM 520 OD2 ASP A 30 12.041 -12.027 0.870 1.00 1.81 O ATOM 0 H ASP A 30 9.407 -13.150 4.828 1.00 0.22 H new ATOM 0 HA ASP A 30 11.457 -11.211 4.246 1.00 0.21 H new ATOM 0 HB2 ASP A 30 11.217 -13.680 3.424 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.162 -13.003 2.199 1.00 0.23 H new ATOM 525 N ILE A 31 8.443 -10.818 3.027 1.00 0.14 N ATOM 526 CA ILE A 31 7.536 -9.797 2.519 1.00 0.14 C ATOM 527 C ILE A 31 7.826 -8.437 3.168 1.00 0.14 C ATOM 528 O ILE A 31 7.870 -7.409 2.491 1.00 0.16 O ATOM 529 CB ILE A 31 6.064 -10.172 2.802 1.00 0.21 C ATOM 530 CG1 ILE A 31 5.705 -11.536 2.202 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.127 -9.096 2.270 1.00 0.16 C ATOM 532 CD1 ILE A 31 5.562 -11.543 0.699 1.00 0.42 C ATOM 0 H ILE A 31 7.985 -11.690 3.293 1.00 0.14 H new ATOM 0 HA ILE A 31 7.695 -9.733 1.443 1.00 0.14 H new ATOM 0 HB ILE A 31 5.943 -10.242 3.883 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.473 -12.256 2.484 1.00 0.38 H new ATOM 0 HG13 ILE A 31 4.769 -11.878 2.645 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.095 -9.377 2.478 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.350 -8.146 2.757 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.265 -8.993 1.194 1.00 0.16 H new ATOM 0 HD11 ILE A 31 5.307 -12.548 0.362 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.773 -10.851 0.405 1.00 0.42 H new ATOM 0 HD13 ILE A 31 6.503 -11.235 0.243 1.00 0.42 H new ATOM 544 N LYS A 32 8.039 -8.447 4.483 1.00 0.17 N ATOM 545 CA LYS A 32 8.299 -7.216 5.225 1.00 0.21 C ATOM 546 C LYS A 32 9.676 -6.668 4.889 1.00 0.20 C ATOM 547 O LYS A 32 9.829 -5.479 4.617 1.00 0.21 O ATOM 548 CB LYS A 32 8.202 -7.453 6.728 1.00 0.29 C ATOM 549 CG LYS A 32 6.918 -8.132 7.137 1.00 0.33 C ATOM 550 CD LYS A 32 5.697 -7.391 6.636 1.00 0.35 C ATOM 551 CE LYS A 32 4.522 -8.333 6.519 1.00 0.43 C ATOM 552 NZ LYS A 32 3.272 -7.625 6.151 1.00 0.88 N ATOM 0 H LYS A 32 8.037 -9.292 5.055 1.00 0.17 H new ATOM 0 HA LYS A 32 7.541 -6.489 4.932 1.00 0.21 H new ATOM 0 HB2 LYS A 32 9.047 -8.062 7.049 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.282 -6.498 7.247 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.908 -9.151 6.749 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.877 -8.204 8.224 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.452 -6.577 7.318 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.909 -6.941 5.666 1.00 0.35 H new ATOM 0 HE2 LYS A 32 4.741 -9.093 5.769 1.00 0.43 H new ATOM 0 HE3 LYS A 32 4.378 -8.852 7.467 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.631 -8.283 5.664 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 2.811 -7.265 7.011 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.497 -6.830 5.520 1.00 0.88 H new ATOM 566 N LYS A 33 10.672 -7.552 4.918 1.00 0.21 N ATOM 567 CA LYS A 33 12.047 -7.199 4.569 1.00 0.22 C ATOM 568 C LYS A 33 12.083 -6.498 3.228 1.00 0.19 C ATOM 569 O LYS A 33 12.764 -5.487 3.060 1.00 0.19 O ATOM 570 CB LYS A 33 12.901 -8.455 4.457 1.00 0.28 C ATOM 571 CG LYS A 33 12.922 -9.323 5.700 1.00 0.35 C ATOM 572 CD LYS A 33 13.692 -8.673 6.836 1.00 0.49 C ATOM 573 CE LYS A 33 13.803 -9.612 8.024 1.00 0.62 C ATOM 574 NZ LYS A 33 14.653 -9.052 9.104 1.00 1.41 N ATOM 0 H LYS A 33 10.549 -8.529 5.183 1.00 0.21 H new ATOM 0 HA LYS A 33 12.433 -6.545 5.351 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.537 -9.052 3.621 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.923 -8.162 4.218 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.899 -9.520 6.022 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.372 -10.286 5.462 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.689 -8.395 6.493 1.00 0.49 H new ATOM 0 HD3 LYS A 33 13.192 -7.753 7.140 1.00 0.49 H new ATOM 0 HE2 LYS A 33 12.807 -9.817 8.417 1.00 0.62 H new ATOM 0 HE3 LYS A 33 14.218 -10.565 7.694 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 14.700 -9.727 9.894 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 15.611 -8.880 8.738 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 14.244 -8.156 9.438 1.00 1.41 H new ATOM 588 N SER A 34 11.348 -7.067 2.281 1.00 0.18 N ATOM 589 CA SER A 34 11.253 -6.524 0.940 1.00 0.18 C ATOM 590 C SER A 34 10.862 -5.056 0.996 1.00 0.19 C ATOM 591 O SER A 34 11.496 -4.220 0.371 1.00 0.30 O ATOM 592 CB SER A 34 10.233 -7.319 0.116 1.00 0.21 C ATOM 593 OG SER A 34 10.265 -6.939 -1.250 1.00 0.26 O ATOM 0 H SER A 34 10.803 -7.917 2.425 1.00 0.18 H new ATOM 0 HA SER A 34 12.227 -6.607 0.458 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.443 -8.385 0.204 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.233 -7.157 0.517 1.00 0.21 H new ATOM 0 HG SER A 34 10.645 -7.668 -1.784 1.00 0.26 H new ATOM 599 N TYR A 35 9.854 -4.749 1.799 1.00 0.17 N ATOM 600 CA TYR A 35 9.364 -3.380 1.926 1.00 0.18 C ATOM 601 C TYR A 35 10.400 -2.516 2.623 1.00 0.18 C ATOM 602 O TYR A 35 10.651 -1.380 2.233 1.00 0.26 O ATOM 603 CB TYR A 35 8.044 -3.351 2.715 1.00 0.22 C ATOM 604 CG TYR A 35 7.906 -2.158 3.648 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.464 -0.925 3.183 1.00 0.33 C ATOM 606 CD2 TYR A 35 8.233 -2.269 4.996 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.354 0.159 4.033 1.00 0.40 C ATOM 608 CE2 TYR A 35 8.121 -1.192 5.850 1.00 0.38 C ATOM 609 CZ TYR A 35 7.684 0.020 5.366 1.00 0.42 C ATOM 610 OH TYR A 35 7.581 1.094 6.215 1.00 0.51 O ATOM 0 H TYR A 35 9.357 -5.429 2.374 1.00 0.17 H new ATOM 0 HA TYR A 35 9.184 -2.985 0.926 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.212 -3.346 2.011 1.00 0.22 H new ATOM 0 HB3 TYR A 35 7.962 -4.267 3.299 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.202 -0.812 2.141 1.00 0.33 H new ATOM 0 HD2 TYR A 35 8.581 -3.216 5.381 1.00 0.29 H new ATOM 0 HE1 TYR A 35 7.011 1.111 3.656 1.00 0.40 H new ATOM 0 HE2 TYR A 35 8.375 -1.299 6.894 1.00 0.38 H new ATOM 0 HH TYR A 35 7.851 0.824 7.118 1.00 0.51 H new ATOM 620 N ARG A 36 11.007 -3.087 3.645 1.00 0.16 N ATOM 621 CA ARG A 36 11.905 -2.356 4.520 1.00 0.19 C ATOM 622 C ARG A 36 13.107 -1.846 3.761 1.00 0.21 C ATOM 623 O ARG A 36 13.384 -0.654 3.764 1.00 0.23 O ATOM 624 CB ARG A 36 12.376 -3.228 5.673 1.00 0.25 C ATOM 625 CG ARG A 36 11.271 -3.625 6.628 1.00 0.29 C ATOM 626 CD ARG A 36 11.844 -4.165 7.923 1.00 0.42 C ATOM 627 NE ARG A 36 10.821 -4.688 8.827 1.00 0.83 N ATOM 628 CZ ARG A 36 11.032 -4.909 10.126 1.00 1.30 C ATOM 629 NH1 ARG A 36 12.159 -4.496 10.692 1.00 1.53 N ATOM 630 NH2 ARG A 36 10.110 -5.512 10.863 1.00 1.74 N ATOM 0 H ARG A 36 10.892 -4.070 3.893 1.00 0.16 H new ATOM 0 HA ARG A 36 11.347 -1.508 4.918 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.837 -4.130 5.270 1.00 0.25 H new ATOM 0 HB3 ARG A 36 13.149 -2.695 6.227 1.00 0.25 H new ATOM 0 HG2 ARG A 36 10.638 -2.762 6.837 1.00 0.29 H new ATOM 0 HG3 ARG A 36 10.637 -4.380 6.163 1.00 0.29 H new ATOM 0 HD2 ARG A 36 12.559 -4.956 7.696 1.00 0.42 H new ATOM 0 HD3 ARG A 36 12.396 -3.372 8.428 1.00 0.42 H new ATOM 0 HE ARG A 36 9.898 -4.895 8.445 1.00 0.83 H new ATOM 0 HH11 ARG A 36 12.862 -4.011 10.134 1.00 1.53 H new ATOM 0 HH12 ARG A 36 12.322 -4.664 11.685 1.00 1.53 H new ATOM 0 HH21 ARG A 36 9.232 -5.810 10.438 1.00 1.74 H new ATOM 0 HH22 ARG A 36 10.278 -5.678 11.855 1.00 1.74 H new ATOM 644 N LYS A 37 13.796 -2.753 3.085 1.00 0.35 N ATOM 645 CA LYS A 37 15.011 -2.408 2.355 1.00 0.45 C ATOM 646 C LYS A 37 14.739 -1.337 1.304 1.00 0.40 C ATOM 647 O LYS A 37 15.665 -0.701 0.816 1.00 0.43 O ATOM 648 CB LYS A 37 15.606 -3.652 1.689 1.00 0.67 C ATOM 649 CG LYS A 37 14.668 -4.320 0.692 1.00 0.78 C ATOM 650 CD LYS A 37 15.244 -5.613 0.126 1.00 1.04 C ATOM 651 CE LYS A 37 15.209 -6.760 1.132 1.00 0.85 C ATOM 652 NZ LYS A 37 16.173 -6.575 2.251 1.00 1.37 N ATOM 0 H LYS A 37 13.535 -3.737 3.026 1.00 0.35 H new ATOM 0 HA LYS A 37 15.728 -2.009 3.073 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.527 -3.374 1.177 1.00 0.67 H new ATOM 0 HB3 LYS A 37 15.875 -4.373 2.461 1.00 0.67 H new ATOM 0 HG2 LYS A 37 13.716 -4.532 1.179 1.00 0.78 H new ATOM 0 HG3 LYS A 37 14.460 -3.630 -0.126 1.00 0.78 H new ATOM 0 HD2 LYS A 37 14.683 -5.898 -0.764 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.274 -5.441 -0.188 1.00 1.04 H new ATOM 0 HE2 LYS A 37 14.201 -6.851 1.538 1.00 0.85 H new ATOM 0 HE3 LYS A 37 15.431 -7.695 0.618 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 16.528 -7.502 2.560 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 16.969 -5.988 1.930 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 15.696 -6.105 3.046 1.00 1.37 H new ATOM 666 N LEU A 38 13.470 -1.163 0.953 1.00 0.45 N ATOM 667 CA LEU A 38 13.054 -0.110 0.043 1.00 0.61 C ATOM 668 C LEU A 38 12.679 1.135 0.809 1.00 0.60 C ATOM 669 O LEU A 38 12.903 2.239 0.357 1.00 0.76 O ATOM 670 CB LEU A 38 11.829 -0.533 -0.723 1.00 1.00 C ATOM 671 CG LEU A 38 11.951 -1.799 -1.520 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.568 -2.378 -1.648 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.565 -1.515 -2.880 1.00 0.44 C ATOM 0 H LEU A 38 12.705 -1.747 1.291 1.00 0.45 H new ATOM 0 HA LEU A 38 13.889 0.085 -0.630 1.00 0.61 H new ATOM 0 HB2 LEU A 38 11.007 -0.650 -0.017 1.00 1.00 H new ATOM 0 HB3 LEU A 38 11.554 0.274 -1.402 1.00 1.00 H new ATOM 0 HG LEU A 38 12.609 -2.512 -1.024 1.00 0.27 H new ATOM 0 HD11 LEU A 38 10.613 -3.303 -2.223 1.00 0.57 H new ATOM 0 HD12 LEU A 38 10.168 -2.586 -0.656 1.00 0.57 H new ATOM 0 HD13 LEU A 38 9.921 -1.665 -2.158 1.00 0.57 H new ATOM 0 HD21 LEU A 38 12.646 -2.444 -3.444 1.00 0.44 H new ATOM 0 HD22 LEU A 38 11.933 -0.814 -3.425 1.00 0.44 H new ATOM 0 HD23 LEU A 38 13.557 -1.083 -2.748 1.00 0.44 H new ATOM 685 N ALA A 39 12.060 0.938 1.953 1.00 0.49 N ATOM 686 CA ALA A 39 11.526 2.029 2.740 1.00 0.59 C ATOM 687 C ALA A 39 12.612 3.018 3.126 1.00 0.57 C ATOM 688 O ALA A 39 12.488 4.215 2.863 1.00 0.72 O ATOM 689 CB ALA A 39 10.838 1.479 3.964 1.00 0.59 C ATOM 0 H ALA A 39 11.913 0.016 2.364 1.00 0.49 H new ATOM 0 HA ALA A 39 10.799 2.570 2.135 1.00 0.59 H new ATOM 0 HB1 ALA A 39 10.436 2.301 4.556 1.00 0.59 H new ATOM 0 HB2 ALA A 39 10.025 0.820 3.659 1.00 0.59 H new ATOM 0 HB3 ALA A 39 11.555 0.917 4.563 1.00 0.59 H new ATOM 695 N LEU A 40 13.687 2.533 3.732 1.00 0.44 N ATOM 696 CA LEU A 40 14.795 3.423 4.044 1.00 0.51 C ATOM 697 C LEU A 40 15.624 3.702 2.799 1.00 0.46 C ATOM 698 O LEU A 40 16.519 4.536 2.808 1.00 0.58 O ATOM 699 CB LEU A 40 15.678 2.941 5.229 1.00 0.56 C ATOM 700 CG LEU A 40 16.182 1.478 5.249 1.00 0.51 C ATOM 701 CD1 LEU A 40 15.094 0.524 5.704 1.00 0.48 C ATOM 702 CD2 LEU A 40 16.738 1.045 3.902 1.00 0.44 C ATOM 0 H LEU A 40 13.815 1.560 4.010 1.00 0.44 H new ATOM 0 HA LEU A 40 14.350 4.357 4.386 1.00 0.51 H new ATOM 0 HB2 LEU A 40 16.553 3.590 5.271 1.00 0.56 H new ATOM 0 HB3 LEU A 40 15.114 3.106 6.147 1.00 0.56 H new ATOM 0 HG LEU A 40 16.998 1.440 5.971 1.00 0.51 H new ATOM 0 HD11 LEU A 40 15.481 -0.495 5.707 1.00 0.48 H new ATOM 0 HD12 LEU A 40 14.772 0.792 6.710 1.00 0.48 H new ATOM 0 HD13 LEU A 40 14.246 0.588 5.023 1.00 0.48 H new ATOM 0 HD21 LEU A 40 17.079 0.012 3.964 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.959 1.124 3.144 1.00 0.44 H new ATOM 0 HD23 LEU A 40 17.575 1.688 3.630 1.00 0.44 H new ATOM 714 N LYS A 41 15.310 3.005 1.727 1.00 0.37 N ATOM 715 CA LYS A 41 16.009 3.191 0.475 1.00 0.40 C ATOM 716 C LYS A 41 15.394 4.336 -0.315 1.00 0.39 C ATOM 717 O LYS A 41 16.090 5.177 -0.880 1.00 0.48 O ATOM 718 CB LYS A 41 15.907 1.905 -0.295 1.00 0.51 C ATOM 719 CG LYS A 41 16.199 2.008 -1.760 1.00 0.62 C ATOM 720 CD LYS A 41 15.725 0.745 -2.402 1.00 0.65 C ATOM 721 CE LYS A 41 16.013 0.707 -3.881 1.00 0.72 C ATOM 722 NZ LYS A 41 17.450 0.472 -4.177 1.00 1.41 N ATOM 0 H LYS A 41 14.572 2.302 1.699 1.00 0.37 H new ATOM 0 HA LYS A 41 17.053 3.444 0.656 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.594 1.182 0.145 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.901 1.505 -0.170 1.00 0.51 H new ATOM 0 HG2 LYS A 41 15.693 2.871 -2.192 1.00 0.62 H new ATOM 0 HG3 LYS A 41 17.267 2.147 -1.929 1.00 0.62 H new ATOM 0 HD2 LYS A 41 16.205 -0.107 -1.920 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.652 0.640 -2.241 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.417 -0.080 -4.343 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.702 1.649 -4.332 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.594 0.455 -5.207 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 18.020 1.236 -3.760 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.743 -0.439 -3.771 1.00 1.41 H new ATOM 736 N TYR A 42 14.076 4.361 -0.317 1.00 0.36 N ATOM 737 CA TYR A 42 13.310 5.300 -1.124 1.00 0.36 C ATOM 738 C TYR A 42 12.798 6.467 -0.292 1.00 0.40 C ATOM 739 O TYR A 42 12.065 7.317 -0.790 1.00 0.40 O ATOM 740 CB TYR A 42 12.133 4.581 -1.785 1.00 0.33 C ATOM 741 CG TYR A 42 12.493 3.838 -3.055 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.567 4.517 -4.260 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.742 2.468 -3.060 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.874 3.859 -5.437 1.00 0.44 C ATOM 745 CE2 TYR A 42 13.049 1.806 -4.229 1.00 0.43 C ATOM 746 CZ TYR A 42 13.113 2.503 -5.416 1.00 0.45 C ATOM 747 OH TYR A 42 13.424 1.840 -6.582 1.00 0.52 O ATOM 0 H TYR A 42 13.501 3.730 0.241 1.00 0.36 H new ATOM 0 HA TYR A 42 13.974 5.699 -1.890 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.707 3.875 -1.073 1.00 0.33 H new ATOM 0 HB3 TYR A 42 11.357 5.312 -2.012 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.381 5.581 -4.281 1.00 0.38 H new ATOM 0 HD2 TYR A 42 12.694 1.916 -2.133 1.00 0.38 H new ATOM 0 HE1 TYR A 42 12.926 4.405 -6.367 1.00 0.44 H new ATOM 0 HE2 TYR A 42 13.239 0.743 -4.215 1.00 0.43 H new ATOM 0 HH TYR A 42 13.564 0.889 -6.390 1.00 0.52 H new ATOM 757 N HIS A 43 13.188 6.505 0.973 1.00 0.46 N ATOM 758 CA HIS A 43 12.760 7.570 1.872 1.00 0.53 C ATOM 759 C HIS A 43 13.268 8.923 1.369 1.00 0.56 C ATOM 760 O HIS A 43 14.475 9.136 1.289 1.00 0.62 O ATOM 761 CB HIS A 43 13.293 7.309 3.286 1.00 0.62 C ATOM 762 CG HIS A 43 12.343 7.714 4.376 1.00 0.71 C ATOM 763 ND1 HIS A 43 11.768 6.817 5.250 1.00 1.17 N ATOM 764 CD2 HIS A 43 11.881 8.933 4.739 1.00 0.87 C ATOM 765 CE1 HIS A 43 10.994 7.468 6.101 1.00 1.12 C ATOM 766 NE2 HIS A 43 11.047 8.754 5.812 1.00 0.87 N ATOM 0 H HIS A 43 13.800 5.811 1.402 1.00 0.46 H new ATOM 0 HA HIS A 43 11.670 7.588 1.898 1.00 0.53 H new ATOM 0 HB2 HIS A 43 13.518 6.248 3.389 1.00 0.62 H new ATOM 0 HB3 HIS A 43 14.231 7.848 3.416 1.00 0.62 H new ATOM 0 HD2 HIS A 43 12.125 9.874 4.269 1.00 0.87 H new ATOM 0 HE1 HIS A 43 10.416 7.023 6.898 1.00 1.12 H new ATOM 0 HE2 HIS A 43 10.549 9.494 6.306 1.00 0.87 H new ATOM 775 N PRO A 44 12.358 9.851 1.019 1.00 0.54 N ATOM 776 CA PRO A 44 12.719 11.187 0.504 1.00 0.58 C ATOM 777 C PRO A 44 13.588 11.976 1.476 1.00 0.68 C ATOM 778 O PRO A 44 14.300 12.895 1.084 1.00 0.72 O ATOM 779 CB PRO A 44 11.374 11.890 0.322 1.00 0.58 C ATOM 780 CG PRO A 44 10.405 11.089 1.120 1.00 0.57 C ATOM 781 CD PRO A 44 10.902 9.676 1.074 1.00 0.51 C ATOM 0 HA PRO A 44 13.304 11.110 -0.412 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.417 12.921 0.674 1.00 0.58 H new ATOM 0 HB3 PRO A 44 11.086 11.924 -0.729 1.00 0.58 H new ATOM 0 HG2 PRO A 44 10.352 11.451 2.147 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.401 11.163 0.703 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.595 9.109 1.953 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.525 9.142 0.202 1.00 0.51 H new ATOM 789 N ASP A 45 13.508 11.623 2.747 1.00 0.74 N ATOM 790 CA ASP A 45 14.383 12.204 3.755 1.00 0.85 C ATOM 791 C ASP A 45 15.837 11.868 3.446 1.00 0.89 C ATOM 792 O ASP A 45 16.735 12.690 3.630 1.00 0.96 O ATOM 793 CB ASP A 45 14.011 11.678 5.137 1.00 0.92 C ATOM 794 CG ASP A 45 14.826 12.315 6.241 1.00 1.06 C ATOM 795 OD1 ASP A 45 14.617 13.511 6.529 1.00 1.11 O ATOM 796 OD2 ASP A 45 15.667 11.617 6.838 1.00 1.16 O ATOM 0 H ASP A 45 12.846 10.936 3.108 1.00 0.74 H new ATOM 0 HA ASP A 45 14.261 13.287 3.742 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.952 11.863 5.319 1.00 0.92 H new ATOM 0 HB3 ASP A 45 14.155 10.598 5.161 1.00 0.92 H new ATOM 801 N LYS A 46 16.055 10.659 2.945 1.00 0.87 N ATOM 802 CA LYS A 46 17.391 10.205 2.589 1.00 0.94 C ATOM 803 C LYS A 46 17.687 10.532 1.135 1.00 0.90 C ATOM 804 O LYS A 46 18.835 10.480 0.697 1.00 0.99 O ATOM 805 CB LYS A 46 17.529 8.696 2.791 1.00 1.00 C ATOM 806 CG LYS A 46 17.081 8.196 4.148 1.00 1.04 C ATOM 807 CD LYS A 46 17.529 6.761 4.354 1.00 1.13 C ATOM 808 CE LYS A 46 17.171 6.223 5.727 1.00 1.57 C ATOM 809 NZ LYS A 46 17.853 6.963 6.821 1.00 2.08 N ATOM 0 H LYS A 46 15.319 9.973 2.776 1.00 0.87 H new ATOM 0 HA LYS A 46 18.099 10.720 3.238 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.950 8.186 2.021 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.572 8.417 2.642 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.496 8.830 4.932 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.996 8.260 4.227 1.00 1.04 H new ATOM 0 HD2 LYS A 46 17.072 6.130 3.591 1.00 1.13 H new ATOM 0 HD3 LYS A 46 18.608 6.699 4.215 1.00 1.13 H new ATOM 0 HE2 LYS A 46 16.092 6.284 5.868 1.00 1.57 H new ATOM 0 HE3 LYS A 46 17.440 5.168 5.783 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 17.714 6.459 7.720 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 18.870 7.029 6.614 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 17.452 7.920 6.895 1.00 2.08 H new ATOM 823 N ASN A 47 16.638 10.853 0.391 1.00 0.79 N ATOM 824 CA ASN A 47 16.766 11.166 -1.023 1.00 0.77 C ATOM 825 C ASN A 47 15.976 12.425 -1.346 1.00 0.74 C ATOM 826 O ASN A 47 14.894 12.364 -1.932 1.00 0.66 O ATOM 827 CB ASN A 47 16.269 10.012 -1.895 1.00 0.69 C ATOM 828 CG ASN A 47 16.849 8.669 -1.493 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.863 8.229 -2.030 1.00 0.83 O ATOM 830 ND2 ASN A 47 16.212 8.012 -0.534 1.00 0.71 N ATOM 0 H ASN A 47 15.684 10.903 0.747 1.00 0.79 H new ATOM 0 HA ASN A 47 17.822 11.327 -1.238 1.00 0.77 H new ATOM 0 HB2 ASN A 47 15.182 9.963 -1.837 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.524 10.215 -2.935 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.561 7.107 -0.217 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.373 8.411 -0.113 1.00 0.71 H new ATOM 837 N PRO A 48 16.490 13.577 -0.912 1.00 0.82 N ATOM 838 CA PRO A 48 15.859 14.876 -1.147 1.00 0.84 C ATOM 839 C PRO A 48 15.857 15.255 -2.621 1.00 0.84 C ATOM 840 O PRO A 48 16.652 14.724 -3.404 1.00 0.86 O ATOM 841 CB PRO A 48 16.736 15.845 -0.355 1.00 0.93 C ATOM 842 CG PRO A 48 18.055 15.162 -0.264 1.00 0.99 C ATOM 843 CD PRO A 48 17.732 13.705 -0.141 1.00 0.92 C ATOM 0 HA PRO A 48 14.812 14.881 -0.845 1.00 0.84 H new ATOM 0 HB2 PRO A 48 16.821 16.807 -0.860 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.320 16.040 0.634 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.662 15.358 -1.148 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.623 15.514 0.597 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.526 13.080 -0.548 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.594 13.408 0.899 1.00 0.92 H new ATOM 851 N ASP A 49 14.950 16.162 -2.986 1.00 0.85 N ATOM 852 CA ASP A 49 14.810 16.639 -4.365 1.00 0.89 C ATOM 853 C ASP A 49 14.264 15.521 -5.248 1.00 0.82 C ATOM 854 O ASP A 49 14.284 15.598 -6.478 1.00 0.88 O ATOM 855 CB ASP A 49 16.155 17.158 -4.901 1.00 0.98 C ATOM 856 CG ASP A 49 16.029 17.916 -6.211 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.448 19.023 -6.208 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.541 17.425 -7.242 1.00 1.09 O ATOM 0 H ASP A 49 14.291 16.588 -2.334 1.00 0.85 H new ATOM 0 HA ASP A 49 14.104 17.470 -4.381 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.608 17.810 -4.154 1.00 0.98 H new ATOM 0 HB3 ASP A 49 16.832 16.315 -5.041 1.00 0.98 H new ATOM 863 N ASN A 50 13.740 14.489 -4.602 1.00 0.74 N ATOM 864 CA ASN A 50 13.197 13.347 -5.309 1.00 0.68 C ATOM 865 C ASN A 50 11.796 13.048 -4.797 1.00 0.64 C ATOM 866 O ASN A 50 11.616 12.292 -3.839 1.00 0.61 O ATOM 867 CB ASN A 50 14.092 12.113 -5.145 1.00 0.65 C ATOM 868 CG ASN A 50 13.762 11.028 -6.146 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.652 10.967 -6.673 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.712 10.151 -6.397 1.00 0.74 N ATOM 0 H ASN A 50 13.681 14.423 -3.586 1.00 0.74 H new ATOM 0 HA ASN A 50 13.154 13.590 -6.371 1.00 0.68 H new ATOM 0 HB2 ASN A 50 15.136 12.406 -5.261 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.982 11.718 -4.135 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.540 9.386 -7.049 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.619 10.237 -5.939 1.00 0.74 H new ATOM 877 N PRO A 51 10.785 13.671 -5.411 1.00 0.67 N ATOM 878 CA PRO A 51 9.383 13.455 -5.061 1.00 0.68 C ATOM 879 C PRO A 51 8.919 12.086 -5.527 1.00 0.66 C ATOM 880 O PRO A 51 7.987 11.497 -4.973 1.00 0.67 O ATOM 881 CB PRO A 51 8.631 14.556 -5.818 1.00 0.78 C ATOM 882 CG PRO A 51 9.681 15.448 -6.396 1.00 0.79 C ATOM 883 CD PRO A 51 10.933 14.638 -6.498 1.00 0.73 C ATOM 0 HA PRO A 51 9.214 13.492 -3.985 1.00 0.68 H new ATOM 0 HB2 PRO A 51 8.004 14.132 -6.602 1.00 0.78 H new ATOM 0 HB3 PRO A 51 7.973 15.110 -5.149 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.378 15.815 -7.377 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.837 16.321 -5.763 1.00 0.79 H new ATOM 0 HD2 PRO A 51 11.019 14.147 -7.467 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.824 15.253 -6.373 1.00 0.73 H new ATOM 891 N GLU A 52 9.586 11.596 -6.562 1.00 0.66 N ATOM 892 CA GLU A 52 9.328 10.265 -7.087 1.00 0.67 C ATOM 893 C GLU A 52 9.707 9.209 -6.061 1.00 0.57 C ATOM 894 O GLU A 52 9.046 8.185 -5.946 1.00 0.56 O ATOM 895 CB GLU A 52 10.118 10.037 -8.371 1.00 0.72 C ATOM 896 CG GLU A 52 9.961 11.151 -9.385 1.00 0.95 C ATOM 897 CD GLU A 52 10.609 10.811 -10.705 1.00 1.28 C ATOM 898 OE1 GLU A 52 11.829 11.029 -10.850 1.00 1.66 O ATOM 899 OE2 GLU A 52 9.903 10.303 -11.602 1.00 1.53 O ATOM 0 H GLU A 52 10.316 12.107 -7.058 1.00 0.66 H new ATOM 0 HA GLU A 52 8.263 10.185 -7.305 1.00 0.67 H new ATOM 0 HB2 GLU A 52 11.174 9.928 -8.124 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.798 9.098 -8.823 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.901 11.351 -9.543 1.00 0.95 H new ATOM 0 HG3 GLU A 52 10.403 12.066 -8.990 1.00 0.95 H new ATOM 906 N ALA A 53 10.774 9.467 -5.319 1.00 0.53 N ATOM 907 CA ALA A 53 11.204 8.562 -4.258 1.00 0.46 C ATOM 908 C ALA A 53 10.113 8.427 -3.206 1.00 0.42 C ATOM 909 O ALA A 53 9.819 7.325 -2.752 1.00 0.37 O ATOM 910 CB ALA A 53 12.499 9.042 -3.625 1.00 0.47 C ATOM 0 H ALA A 53 11.359 10.295 -5.430 1.00 0.53 H new ATOM 0 HA ALA A 53 11.388 7.582 -4.699 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.797 8.350 -2.838 1.00 0.47 H new ATOM 0 HB2 ALA A 53 13.280 9.087 -4.384 1.00 0.47 H new ATOM 0 HB3 ALA A 53 12.350 10.034 -3.199 1.00 0.47 H new ATOM 916 N ALA A 54 9.508 9.553 -2.839 1.00 0.45 N ATOM 917 CA ALA A 54 8.356 9.552 -1.943 1.00 0.44 C ATOM 918 C ALA A 54 7.246 8.689 -2.517 1.00 0.43 C ATOM 919 O ALA A 54 6.580 7.943 -1.805 1.00 0.41 O ATOM 920 CB ALA A 54 7.838 10.966 -1.747 1.00 0.51 C ATOM 0 H ALA A 54 9.798 10.480 -3.149 1.00 0.45 H new ATOM 0 HA ALA A 54 8.671 9.147 -0.981 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.979 10.949 -1.076 1.00 0.51 H new ATOM 0 HB2 ALA A 54 8.624 11.585 -1.314 1.00 0.51 H new ATOM 0 HB3 ALA A 54 7.539 11.381 -2.710 1.00 0.51 H new ATOM 926 N ASP A 55 7.069 8.812 -3.821 1.00 0.46 N ATOM 927 CA ASP A 55 6.055 8.074 -4.553 1.00 0.47 C ATOM 928 C ASP A 55 6.340 6.575 -4.506 1.00 0.39 C ATOM 929 O ASP A 55 5.452 5.773 -4.206 1.00 0.36 O ATOM 930 CB ASP A 55 6.028 8.581 -5.991 1.00 0.57 C ATOM 931 CG ASP A 55 4.947 7.942 -6.828 1.00 0.63 C ATOM 932 OD1 ASP A 55 3.811 8.459 -6.827 1.00 0.72 O ATOM 933 OD2 ASP A 55 5.233 6.937 -7.502 1.00 0.66 O ATOM 0 H ASP A 55 7.629 9.432 -4.406 1.00 0.46 H new ATOM 0 HA ASP A 55 5.079 8.233 -4.094 1.00 0.47 H new ATOM 0 HB2 ASP A 55 5.883 9.661 -5.986 1.00 0.57 H new ATOM 0 HB3 ASP A 55 6.996 8.392 -6.454 1.00 0.57 H new ATOM 938 N LYS A 56 7.581 6.202 -4.801 1.00 0.39 N ATOM 939 CA LYS A 56 8.037 4.828 -4.643 1.00 0.34 C ATOM 940 C LYS A 56 7.852 4.360 -3.201 1.00 0.28 C ATOM 941 O LYS A 56 7.358 3.263 -2.953 1.00 0.26 O ATOM 942 CB LYS A 56 9.509 4.732 -5.012 1.00 0.38 C ATOM 943 CG LYS A 56 9.851 5.332 -6.365 1.00 0.48 C ATOM 944 CD LYS A 56 9.968 4.276 -7.447 1.00 0.64 C ATOM 945 CE LYS A 56 8.682 3.492 -7.628 1.00 0.83 C ATOM 946 NZ LYS A 56 7.646 4.268 -8.358 1.00 0.98 N ATOM 0 H LYS A 56 8.294 6.840 -5.154 1.00 0.39 H new ATOM 0 HA LYS A 56 7.445 4.191 -5.301 1.00 0.34 H new ATOM 0 HB2 LYS A 56 10.098 5.234 -4.245 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.806 3.683 -5.006 1.00 0.38 H new ATOM 0 HG2 LYS A 56 9.083 6.053 -6.645 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.791 5.879 -6.291 1.00 0.48 H new ATOM 0 HD2 LYS A 56 10.236 4.753 -8.390 1.00 0.64 H new ATOM 0 HD3 LYS A 56 10.777 3.590 -7.196 1.00 0.64 H new ATOM 0 HE2 LYS A 56 8.894 2.572 -8.172 1.00 0.83 H new ATOM 0 HE3 LYS A 56 8.295 3.203 -6.651 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.730 4.163 -7.876 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.914 5.273 -8.377 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 7.568 3.912 -9.332 1.00 0.98 H new ATOM 960 N PHE A 57 8.241 5.209 -2.258 1.00 0.27 N ATOM 961 CA PHE A 57 8.129 4.904 -0.832 1.00 0.24 C ATOM 962 C PHE A 57 6.673 4.685 -0.445 1.00 0.24 C ATOM 963 O PHE A 57 6.367 3.983 0.511 1.00 0.26 O ATOM 964 CB PHE A 57 8.736 6.042 -0.002 1.00 0.27 C ATOM 965 CG PHE A 57 8.579 5.870 1.486 1.00 0.27 C ATOM 966 CD1 PHE A 57 9.382 4.986 2.185 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.625 6.597 2.183 1.00 0.30 C ATOM 968 CE1 PHE A 57 9.238 4.827 3.549 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.477 6.442 3.547 1.00 0.34 C ATOM 970 CZ PHE A 57 8.283 5.555 4.232 1.00 0.37 C ATOM 0 H PHE A 57 8.642 6.126 -2.456 1.00 0.27 H new ATOM 0 HA PHE A 57 8.680 3.986 -0.628 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.797 6.123 -0.237 1.00 0.27 H new ATOM 0 HB3 PHE A 57 8.271 6.982 -0.299 1.00 0.27 H new ATOM 0 HD1 PHE A 57 10.130 4.413 1.657 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.991 7.292 1.653 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.872 4.134 4.082 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.731 7.015 4.078 1.00 0.34 H new ATOM 0 HZ PHE A 57 8.167 5.431 5.299 1.00 0.37 H new ATOM 980 N LYS A 58 5.788 5.269 -1.222 1.00 0.26 N ATOM 981 CA LYS A 58 4.366 5.224 -0.960 1.00 0.28 C ATOM 982 C LYS A 58 3.737 3.926 -1.477 1.00 0.26 C ATOM 983 O LYS A 58 2.819 3.387 -0.857 1.00 0.29 O ATOM 984 CB LYS A 58 3.734 6.471 -1.583 1.00 0.32 C ATOM 985 CG LYS A 58 2.326 6.288 -2.123 1.00 0.36 C ATOM 986 CD LYS A 58 1.673 7.629 -2.432 1.00 0.52 C ATOM 987 CE LYS A 58 2.411 8.388 -3.529 1.00 0.79 C ATOM 988 NZ LYS A 58 2.181 7.793 -4.871 1.00 1.41 N ATOM 0 H LYS A 58 6.037 5.793 -2.061 1.00 0.26 H new ATOM 0 HA LYS A 58 4.181 5.225 0.114 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.717 7.262 -0.833 1.00 0.32 H new ATOM 0 HB3 LYS A 58 4.374 6.815 -2.395 1.00 0.32 H new ATOM 0 HG2 LYS A 58 2.357 5.679 -3.027 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.722 5.746 -1.395 1.00 0.36 H new ATOM 0 HD2 LYS A 58 0.639 7.466 -2.737 1.00 0.52 H new ATOM 0 HD3 LYS A 58 1.647 8.236 -1.527 1.00 0.52 H new ATOM 0 HE2 LYS A 58 2.084 9.428 -3.533 1.00 0.79 H new ATOM 0 HE3 LYS A 58 3.479 8.391 -3.312 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 2.587 8.414 -5.600 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 2.636 6.859 -4.919 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.159 7.689 -5.034 1.00 1.41 H new ATOM 1002 N GLU A 59 4.244 3.409 -2.591 1.00 0.25 N ATOM 1003 CA GLU A 59 3.740 2.148 -3.132 1.00 0.24 C ATOM 1004 C GLU A 59 4.340 0.964 -2.384 1.00 0.23 C ATOM 1005 O GLU A 59 3.663 -0.035 -2.136 1.00 0.25 O ATOM 1006 CB GLU A 59 4.021 2.036 -4.635 1.00 0.28 C ATOM 1007 CG GLU A 59 5.456 2.333 -5.025 1.00 0.32 C ATOM 1008 CD GLU A 59 5.676 2.278 -6.520 1.00 0.40 C ATOM 1009 OE1 GLU A 59 5.465 3.308 -7.191 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.076 1.213 -7.031 1.00 0.51 O ATOM 0 H GLU A 59 4.995 3.836 -3.133 1.00 0.25 H new ATOM 0 HA GLU A 59 2.659 2.133 -2.992 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.768 1.029 -4.966 1.00 0.28 H new ATOM 0 HB3 GLU A 59 3.362 2.722 -5.168 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.731 3.321 -4.657 1.00 0.32 H new ATOM 0 HG3 GLU A 59 6.117 1.616 -4.538 1.00 0.32 H new ATOM 1017 N ILE A 60 5.608 1.080 -2.011 1.00 0.23 N ATOM 1018 CA ILE A 60 6.263 0.041 -1.230 1.00 0.24 C ATOM 1019 C ILE A 60 5.687 0.028 0.175 1.00 0.24 C ATOM 1020 O ILE A 60 5.609 -1.014 0.824 1.00 0.27 O ATOM 1021 CB ILE A 60 7.788 0.245 -1.182 1.00 0.26 C ATOM 1022 CG1 ILE A 60 8.129 1.546 -0.456 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.343 0.260 -2.593 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.596 1.903 -0.473 1.00 0.28 C ATOM 0 H ILE A 60 6.200 1.879 -2.236 1.00 0.23 H new ATOM 0 HA ILE A 60 6.078 -0.919 -1.711 1.00 0.24 H new ATOM 0 HB ILE A 60 8.242 -0.579 -0.632 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.564 2.360 -0.910 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.799 1.467 0.580 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.423 0.405 -2.558 1.00 0.29 H new ATOM 0 HG22 ILE A 60 8.120 -0.688 -3.082 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.886 1.075 -3.155 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.749 2.839 0.064 1.00 0.28 H new ATOM 0 HD12 ILE A 60 10.169 1.111 0.009 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.931 2.017 -1.504 1.00 0.28 H new ATOM 1036 N ASN A 61 5.264 1.210 0.616 1.00 0.24 N ATOM 1037 CA ASN A 61 4.549 1.370 1.871 1.00 0.28 C ATOM 1038 C ASN A 61 3.279 0.522 1.852 1.00 0.29 C ATOM 1039 O ASN A 61 2.831 0.020 2.879 1.00 0.36 O ATOM 1040 CB ASN A 61 4.184 2.851 2.062 1.00 0.36 C ATOM 1041 CG ASN A 61 3.256 3.107 3.235 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.706 3.353 4.354 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.954 3.069 2.984 1.00 0.60 N ATOM 0 H ASN A 61 5.410 2.083 0.109 1.00 0.24 H new ATOM 0 HA ASN A 61 5.182 1.043 2.696 1.00 0.28 H new ATOM 0 HB2 ASN A 61 5.099 3.426 2.203 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.713 3.220 1.151 1.00 0.36 H new ATOM 0 HD21 ASN A 61 1.285 3.248 3.733 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.622 2.861 2.042 1.00 0.60 H new ATOM 1050 N ASN A 62 2.724 0.363 0.656 1.00 0.25 N ATOM 1051 CA ASN A 62 1.453 -0.319 0.463 1.00 0.27 C ATOM 1052 C ASN A 62 1.629 -1.831 0.425 1.00 0.22 C ATOM 1053 O ASN A 62 1.038 -2.545 1.223 1.00 0.20 O ATOM 1054 CB ASN A 62 0.820 0.129 -0.846 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.630 -0.262 -0.939 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.511 0.522 -0.619 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -0.881 -1.487 -1.363 1.00 0.21 N ATOM 0 H ASN A 62 3.145 0.705 -0.208 1.00 0.25 H new ATOM 0 HA ASN A 62 0.811 -0.062 1.306 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.909 1.211 -0.939 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.367 -0.309 -1.681 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -1.844 -1.815 -1.435 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.112 -2.106 -1.619 1.00 0.21 H new ATOM 1064 N ALA A 63 2.446 -2.315 -0.513 1.00 0.20 N ATOM 1065 CA ALA A 63 2.581 -3.754 -0.756 1.00 0.18 C ATOM 1066 C ALA A 63 3.108 -4.499 0.475 1.00 0.14 C ATOM 1067 O ALA A 63 3.020 -5.726 0.558 1.00 0.14 O ATOM 1068 CB ALA A 63 3.495 -3.995 -1.944 1.00 0.19 C ATOM 0 H ALA A 63 3.025 -1.732 -1.117 1.00 0.20 H new ATOM 0 HA ALA A 63 1.587 -4.146 -0.973 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.590 -5.067 -2.118 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.074 -3.519 -2.830 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.478 -3.572 -1.738 1.00 0.19 H new ATOM 1074 N HIS A 64 3.642 -3.729 1.414 1.00 0.13 N ATOM 1075 CA HIS A 64 4.253 -4.232 2.644 1.00 0.11 C ATOM 1076 C HIS A 64 3.443 -5.354 3.320 1.00 0.13 C ATOM 1077 O HIS A 64 3.995 -6.401 3.664 1.00 0.20 O ATOM 1078 CB HIS A 64 4.452 -3.030 3.586 1.00 0.15 C ATOM 1079 CG HIS A 64 4.584 -3.349 5.046 1.00 0.37 C ATOM 1080 ND1 HIS A 64 3.674 -2.912 5.981 1.00 1.02 N ATOM 1081 CD2 HIS A 64 5.541 -4.011 5.736 1.00 1.02 C ATOM 1082 CE1 HIS A 64 4.067 -3.284 7.182 1.00 1.00 C ATOM 1083 NE2 HIS A 64 5.196 -3.954 7.061 1.00 0.96 N ATOM 0 H HIS A 64 3.664 -2.712 1.343 1.00 0.13 H new ATOM 0 HA HIS A 64 5.208 -4.696 2.398 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.346 -2.491 3.271 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.609 -2.351 3.458 1.00 0.15 H new ATOM 0 HD1 HIS A 64 2.827 -2.382 5.776 1.00 1.02 H new ATOM 0 HD2 HIS A 64 6.413 -4.494 5.321 1.00 1.02 H new ATOM 0 HE1 HIS A 64 3.552 -3.076 8.108 1.00 1.00 H new ATOM 1092 N ALA A 65 2.160 -5.132 3.550 1.00 0.14 N ATOM 1093 CA ALA A 65 1.332 -6.130 4.219 1.00 0.17 C ATOM 1094 C ALA A 65 0.651 -7.076 3.239 1.00 0.13 C ATOM 1095 O ALA A 65 0.669 -8.291 3.427 1.00 0.14 O ATOM 1096 CB ALA A 65 0.288 -5.455 5.090 1.00 0.25 C ATOM 0 H ALA A 65 1.669 -4.278 3.287 1.00 0.14 H new ATOM 0 HA ALA A 65 2.000 -6.727 4.840 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.321 -6.213 5.582 1.00 0.25 H new ATOM 0 HB2 ALA A 65 0.783 -4.843 5.844 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.349 -4.823 4.471 1.00 0.25 H new ATOM 1102 N ILE A 66 0.094 -6.499 2.183 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.865 -7.180 1.301 1.00 0.12 C ATOM 1104 C ILE A 66 -0.426 -8.580 0.883 1.00 0.13 C ATOM 1105 O ILE A 66 -1.208 -9.525 0.934 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.108 -6.384 0.006 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.667 -4.920 0.141 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.572 -6.469 -0.372 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.480 -4.102 1.113 1.00 0.14 C ATOM 0 H ILE A 66 0.292 -5.538 1.906 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.773 -7.253 1.899 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.502 -6.827 -0.784 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.377 -4.897 0.453 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.717 -4.448 -0.840 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.744 -5.905 -1.289 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.847 -7.512 -0.530 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.180 -6.051 0.430 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -1.095 -3.083 1.141 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.522 -4.088 0.794 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.411 -4.544 2.107 1.00 0.14 H new ATOM 1121 N LEU A 67 0.822 -8.686 0.466 1.00 0.12 N ATOM 1122 CA LEU A 67 1.357 -9.901 -0.149 1.00 0.14 C ATOM 1123 C LEU A 67 1.180 -11.134 0.728 1.00 0.16 C ATOM 1124 O LEU A 67 0.916 -12.229 0.235 1.00 0.21 O ATOM 1125 CB LEU A 67 2.839 -9.699 -0.434 1.00 0.15 C ATOM 1126 CG LEU A 67 3.188 -8.340 -1.031 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.664 -8.259 -1.350 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.342 -8.079 -2.265 1.00 0.16 C ATOM 0 H LEU A 67 1.503 -7.930 0.542 1.00 0.12 H new ATOM 0 HA LEU A 67 0.798 -10.076 -1.068 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.396 -9.828 0.494 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.174 -10.479 -1.117 1.00 0.15 H new ATOM 0 HG LEU A 67 2.967 -7.566 -0.296 1.00 0.14 H new ATOM 0 HD11 LEU A 67 4.891 -7.281 -1.775 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.242 -8.401 -0.437 1.00 0.16 H new ATOM 0 HD13 LEU A 67 4.924 -9.036 -2.069 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.599 -7.106 -2.683 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.532 -8.855 -3.007 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.287 -8.089 -1.992 1.00 0.16 H new ATOM 1140 N THR A 68 1.337 -10.950 2.022 1.00 0.15 N ATOM 1141 CA THR A 68 1.296 -12.059 2.959 1.00 0.18 C ATOM 1142 C THR A 68 0.070 -11.968 3.866 1.00 0.18 C ATOM 1143 O THR A 68 -0.351 -12.962 4.464 1.00 0.23 O ATOM 1144 CB THR A 68 2.591 -12.083 3.801 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.507 -13.045 4.862 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.876 -10.703 4.366 1.00 0.20 C ATOM 0 H THR A 68 1.495 -10.039 2.453 1.00 0.15 H new ATOM 0 HA THR A 68 1.222 -12.987 2.392 1.00 0.18 H new ATOM 0 HB THR A 68 3.411 -12.377 3.146 1.00 0.21 H new ATOM 0 HG1 THR A 68 3.409 -13.273 5.169 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.791 -10.734 4.957 1.00 0.20 H new ATOM 0 HG22 THR A 68 2.996 -9.993 3.548 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.045 -10.390 4.999 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.513 -10.780 3.949 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.657 -10.554 4.818 1.00 0.19 C ATOM 1156 C ASP A 69 -2.956 -10.756 4.051 1.00 0.17 C ATOM 1157 O ASP A 69 -3.279 -9.983 3.143 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.618 -9.140 5.397 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.469 -8.998 6.642 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.663 -9.367 6.604 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -1.955 -8.490 7.661 1.00 0.58 O ATOM 0 H ASP A 69 -0.212 -9.959 3.425 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.610 -11.274 5.635 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.587 -8.876 5.634 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.963 -8.433 4.643 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.703 -11.781 4.437 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.945 -12.135 3.762 1.00 0.21 C ATOM 1168 C ALA A 70 -5.974 -11.018 3.852 1.00 0.18 C ATOM 1169 O ALA A 70 -6.812 -10.869 2.964 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.513 -13.416 4.349 1.00 0.27 C ATOM 0 H ALA A 70 -3.468 -12.388 5.222 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.715 -12.290 2.708 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.441 -13.671 3.837 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.794 -14.225 4.221 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.712 -13.273 5.411 1.00 0.27 H new ATOM 1176 N THR A 71 -5.903 -10.230 4.913 1.00 0.17 N ATOM 1177 CA THR A 71 -6.833 -9.137 5.102 1.00 0.17 C ATOM 1178 C THR A 71 -6.576 -8.025 4.095 1.00 0.14 C ATOM 1179 O THR A 71 -7.481 -7.598 3.390 1.00 0.15 O ATOM 1180 CB THR A 71 -6.741 -8.570 6.525 1.00 0.20 C ATOM 1181 OG1 THR A 71 -7.028 -9.604 7.477 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.706 -7.410 6.710 1.00 0.21 C ATOM 0 H THR A 71 -5.210 -10.330 5.654 1.00 0.17 H new ATOM 0 HA THR A 71 -7.836 -9.534 4.946 1.00 0.17 H new ATOM 0 HB THR A 71 -5.728 -8.200 6.686 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.967 -9.239 8.385 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.622 -7.025 7.726 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.463 -6.618 6.001 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.726 -7.753 6.535 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.335 -7.572 4.008 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.993 -6.518 3.082 1.00 0.13 C ATOM 1192 C LYS A 72 -5.167 -7.005 1.651 1.00 0.12 C ATOM 1193 O LYS A 72 -5.604 -6.257 0.793 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.566 -6.017 3.310 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.385 -5.195 4.582 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.477 -6.044 5.839 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.152 -5.241 7.088 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.022 -6.107 8.291 1.00 0.71 N ATOM 0 H LYS A 72 -4.555 -7.919 4.567 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.668 -5.680 3.256 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.894 -6.874 3.347 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.265 -5.412 2.455 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.416 -4.696 4.554 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -4.145 -4.414 4.618 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.481 -6.459 5.925 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.790 -6.886 5.760 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.223 -4.692 6.934 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.935 -4.501 7.257 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.750 -5.526 9.109 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -3.932 -6.572 8.484 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.293 -6.829 8.122 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.853 -8.270 1.399 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.063 -8.845 0.075 1.00 0.15 C ATOM 1214 C ARG A 73 -6.557 -8.918 -0.221 1.00 0.16 C ATOM 1215 O ARG A 73 -6.979 -8.946 -1.375 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.458 -10.241 -0.003 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.082 -10.679 -1.412 1.00 0.38 C ATOM 1218 CD ARG A 73 -2.796 -10.013 -1.902 1.00 0.47 C ATOM 1219 NE ARG A 73 -2.445 -10.460 -3.253 1.00 0.49 N ATOM 1220 CZ ARG A 73 -1.857 -9.707 -4.182 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -1.553 -8.440 -3.938 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -1.580 -10.233 -5.369 1.00 0.97 N ATOM 0 H ARG A 73 -4.456 -8.912 2.085 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.574 -8.210 -0.663 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.568 -10.275 0.626 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.168 -10.957 0.411 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.959 -11.762 -1.433 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -4.897 -10.438 -2.095 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -2.920 -8.930 -1.896 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -1.980 -10.244 -1.217 1.00 0.47 H new ATOM 0 HE ARG A 73 -2.668 -11.424 -3.502 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.769 -8.030 -3.030 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -1.103 -7.876 -4.659 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -1.817 -11.206 -5.564 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -1.130 -9.664 -6.086 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.349 -8.956 0.840 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.796 -8.936 0.721 1.00 0.18 C ATOM 1238 C ASN A 74 -9.276 -7.538 0.371 1.00 0.17 C ATOM 1239 O ASN A 74 -10.193 -7.371 -0.432 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.436 -9.424 2.022 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.145 -10.756 1.871 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.666 -11.086 0.803 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.168 -11.534 2.943 1.00 0.43 N ATOM 0 H ASN A 74 -7.008 -9.001 1.800 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.096 -9.609 -0.083 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.666 -9.514 2.788 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.148 -8.677 2.372 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.629 -12.443 2.904 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.725 -11.224 3.808 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.641 -6.530 0.959 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.935 -5.148 0.608 1.00 0.13 C ATOM 1252 C ILE A 75 -8.395 -4.851 -0.783 1.00 0.14 C ATOM 1253 O ILE A 75 -9.023 -4.139 -1.543 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.371 -4.124 1.641 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.275 -4.047 2.878 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.225 -2.728 1.024 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.382 -5.336 3.657 1.00 0.20 C ATOM 0 H ILE A 75 -7.924 -6.644 1.676 1.00 0.13 H new ATOM 0 HA ILE A 75 -10.019 -5.033 0.621 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.383 -4.475 1.939 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.898 -3.268 3.540 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.274 -3.743 2.564 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.830 -2.040 1.771 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.542 -2.775 0.176 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.200 -2.376 0.686 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -10.040 -5.190 4.514 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.790 -6.116 3.015 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.393 -5.634 4.006 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.251 -5.441 -1.110 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.634 -5.305 -2.432 1.00 0.18 C ATOM 1271 C TYR A 76 -7.632 -5.593 -3.554 1.00 0.19 C ATOM 1272 O TYR A 76 -7.635 -4.918 -4.586 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.422 -6.248 -2.527 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.173 -6.837 -3.902 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.629 -6.075 -4.927 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.486 -8.166 -4.171 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.407 -6.618 -6.178 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.264 -8.715 -5.418 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.724 -7.936 -6.419 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.498 -8.477 -7.665 1.00 0.52 O ATOM 0 H TYR A 76 -6.721 -6.029 -0.467 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.304 -4.273 -2.555 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.531 -5.702 -2.215 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.560 -7.065 -1.818 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.375 -5.041 -4.744 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -5.910 -8.779 -3.390 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.986 -6.010 -6.965 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.512 -9.749 -5.608 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.775 -9.417 -7.669 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.482 -6.590 -3.345 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.469 -6.975 -4.351 1.00 0.22 C ATOM 1292 C ASP A 77 -10.576 -5.921 -4.480 1.00 0.22 C ATOM 1293 O ASP A 77 -11.315 -5.896 -5.463 1.00 0.30 O ATOM 1294 CB ASP A 77 -10.072 -8.337 -3.995 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.940 -8.906 -5.100 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.385 -9.422 -6.088 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.184 -8.857 -4.976 1.00 1.74 O ATOM 0 H ASP A 77 -8.510 -7.147 -2.491 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.963 -7.046 -5.314 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.267 -9.038 -3.775 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.667 -8.239 -3.087 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.672 -5.043 -3.490 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.709 -4.015 -3.461 1.00 0.21 C ATOM 1304 C LYS A 78 -11.096 -2.633 -3.681 1.00 0.20 C ATOM 1305 O LYS A 78 -11.417 -1.929 -4.639 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.415 -4.044 -2.104 1.00 0.22 C ATOM 1307 CG LYS A 78 -12.973 -5.406 -1.726 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.312 -5.474 -0.247 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.369 -4.453 0.139 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.599 -4.427 1.606 1.00 1.92 N ATOM 0 H LYS A 78 -10.040 -5.021 -2.690 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.425 -4.215 -4.258 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.713 -3.724 -1.334 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.229 -3.319 -2.114 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.866 -5.611 -2.316 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.245 -6.180 -1.970 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -13.667 -6.475 -0.002 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.410 -5.303 0.341 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.059 -3.464 -0.198 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.303 -4.686 -0.372 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.326 -3.719 1.831 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -14.918 -5.364 1.924 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -13.713 -4.180 2.092 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.202 -2.272 -2.779 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.504 -1.004 -2.811 1.00 0.19 C ATOM 1326 C TYR A 79 -8.085 -1.218 -3.305 1.00 0.21 C ATOM 1327 O TYR A 79 -7.407 -2.143 -2.860 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.458 -0.384 -1.412 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.810 -0.025 -0.835 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.680 -1.009 -0.382 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.208 1.301 -0.729 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -12.907 -0.683 0.154 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -12.436 1.635 -0.194 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.280 0.640 0.246 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.503 0.965 0.784 1.00 0.88 O ATOM 0 H TYR A 79 -9.937 -2.863 -1.991 1.00 0.18 H new ATOM 0 HA TYR A 79 -10.036 -0.330 -3.483 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -8.963 -1.082 -0.736 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -8.843 0.515 -1.448 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.390 -2.047 -0.451 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -10.546 2.083 -1.070 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.572 -1.460 0.500 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -12.733 2.671 -0.121 1.00 0.75 H new ATOM 0 HH TYR A 79 -14.614 1.939 0.779 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.637 -0.389 -4.235 1.00 0.20 N ATOM 1346 CA GLY A 80 -6.257 -0.447 -4.650 1.00 0.25 C ATOM 1347 C GLY A 80 -5.333 0.134 -3.599 1.00 0.20 C ATOM 1348 O GLY A 80 -5.536 -0.062 -2.400 1.00 0.22 O ATOM 0 H GLY A 80 -8.202 0.318 -4.706 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.979 -1.482 -4.847 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -6.134 0.100 -5.585 1.00 0.25 H new ATOM 1352 N SER A 81 -4.339 0.875 -4.050 1.00 0.23 N ATOM 1353 CA SER A 81 -3.347 1.466 -3.165 1.00 0.25 C ATOM 1354 C SER A 81 -3.984 2.298 -2.047 1.00 0.23 C ATOM 1355 O SER A 81 -3.467 2.342 -0.950 1.00 0.25 O ATOM 1356 CB SER A 81 -2.396 2.327 -4.000 1.00 0.34 C ATOM 1357 OG SER A 81 -1.794 1.553 -5.025 1.00 0.41 O ATOM 0 H SER A 81 -4.194 1.085 -5.038 1.00 0.23 H new ATOM 0 HA SER A 81 -2.798 0.661 -2.676 1.00 0.25 H new ATOM 0 HB2 SER A 81 -2.943 3.161 -4.440 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.625 2.754 -3.359 1.00 0.34 H new ATOM 0 HG SER A 81 -1.729 2.088 -5.844 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.101 2.966 -2.321 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.735 3.806 -1.302 1.00 0.25 C ATOM 1365 C LEU A 82 -6.192 3.012 -0.092 1.00 0.22 C ATOM 1366 O LEU A 82 -5.687 3.231 1.006 1.00 0.23 O ATOM 1367 CB LEU A 82 -6.910 4.600 -1.861 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.643 5.436 -0.809 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.676 6.348 -0.072 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.746 6.251 -1.445 1.00 0.69 C ATOM 0 H LEU A 82 -5.581 2.946 -3.221 1.00 0.23 H new ATOM 0 HA LEU A 82 -4.961 4.503 -0.981 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.549 5.260 -2.650 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.617 3.910 -2.322 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.089 4.750 -0.088 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.220 6.932 0.670 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -5.916 5.746 0.426 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.197 7.021 -0.783 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.253 6.837 -0.679 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.319 6.921 -2.191 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.462 5.583 -1.924 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.154 2.112 -0.280 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.665 1.354 0.832 1.00 0.23 C ATOM 1384 C GLY A 83 -6.565 0.630 1.560 1.00 0.21 C ATOM 1385 O GLY A 83 -6.569 0.557 2.775 1.00 0.23 O ATOM 0 H GLY A 83 -7.582 1.900 -1.181 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.181 2.022 1.522 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.401 0.634 0.475 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.594 0.144 0.814 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.462 -0.549 1.401 1.00 0.20 C ATOM 1391 C LEU A 84 -3.548 0.410 2.153 1.00 0.21 C ATOM 1392 O LEU A 84 -3.118 0.112 3.256 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.688 -1.280 0.324 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.463 -2.393 -0.362 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.615 -3.036 -1.443 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.900 -3.416 0.669 1.00 0.30 C ATOM 0 H LEU A 84 -5.565 0.216 -0.203 1.00 0.20 H new ATOM 0 HA LEU A 84 -4.845 -1.272 2.121 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.368 -0.559 -0.429 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.785 -1.702 0.766 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.351 -1.977 -0.838 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.183 -3.831 -1.926 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.340 -2.285 -2.184 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.712 -3.454 -0.997 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.456 -4.214 0.177 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -4.022 -3.835 1.161 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.537 -2.935 1.412 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.264 1.560 1.558 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.446 2.591 2.194 1.00 0.23 C ATOM 1410 C TYR A 85 -2.906 2.848 3.622 1.00 0.24 C ATOM 1411 O TYR A 85 -2.096 3.013 4.537 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.515 3.883 1.357 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.595 5.162 2.159 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -1.444 5.818 2.577 1.00 0.38 C ATOM 1415 CD2 TYR A 85 -3.829 5.713 2.496 1.00 0.28 C ATOM 1416 CE1 TYR A 85 -1.517 6.986 3.309 1.00 0.45 C ATOM 1417 CE2 TYR A 85 -3.908 6.881 3.230 1.00 0.37 C ATOM 1418 CZ TYR A 85 -2.750 7.513 3.634 1.00 0.44 C ATOM 1419 OH TYR A 85 -2.822 8.674 4.373 1.00 0.52 O ATOM 0 H TYR A 85 -3.591 1.807 0.624 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.413 2.247 2.240 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.635 3.929 0.715 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.385 3.828 0.702 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -0.477 5.408 2.325 1.00 0.38 H new ATOM 0 HD2 TYR A 85 -4.737 5.221 2.179 1.00 0.28 H new ATOM 0 HE1 TYR A 85 -0.613 7.485 3.626 1.00 0.45 H new ATOM 0 HE2 TYR A 85 -4.871 7.297 3.486 1.00 0.37 H new ATOM 0 HH TYR A 85 -3.762 8.913 4.516 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.207 2.888 3.805 1.00 0.23 N ATOM 1430 CA VAL A 86 -4.773 3.126 5.113 1.00 0.25 C ATOM 1431 C VAL A 86 -5.032 1.813 5.883 1.00 0.24 C ATOM 1432 O VAL A 86 -4.750 1.724 7.082 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.058 3.987 4.988 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -6.909 3.540 3.811 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -6.878 3.957 6.260 1.00 0.32 C ATOM 0 H VAL A 86 -4.894 2.758 3.062 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.043 3.682 5.701 1.00 0.25 H new ATOM 0 HB VAL A 86 -5.735 5.013 4.815 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -7.802 4.162 3.750 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.335 3.638 2.889 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.201 2.499 3.948 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -7.769 4.572 6.133 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.173 2.931 6.479 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.283 4.347 7.086 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.526 0.787 5.195 1.00 0.23 N ATOM 1446 CA ALA A 87 -5.871 -0.481 5.844 1.00 0.24 C ATOM 1447 C ALA A 87 -4.646 -1.295 6.232 1.00 0.22 C ATOM 1448 O ALA A 87 -4.645 -1.975 7.256 1.00 0.24 O ATOM 1449 CB ALA A 87 -6.763 -1.326 4.952 1.00 0.25 C ATOM 0 H ALA A 87 -5.697 0.806 4.190 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.404 -0.214 6.756 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -7.003 -2.261 5.458 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.683 -0.782 4.738 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.244 -1.542 4.018 1.00 0.25 H new ATOM 1455 N GLU A 88 -3.613 -1.246 5.415 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.432 -2.049 5.658 1.00 0.21 C ATOM 1457 C GLU A 88 -1.625 -1.432 6.794 1.00 0.20 C ATOM 1458 O GLU A 88 -1.129 -2.136 7.672 1.00 0.25 O ATOM 1459 CB GLU A 88 -1.611 -2.194 4.354 1.00 0.21 C ATOM 1460 CG GLU A 88 -0.408 -1.270 4.220 1.00 0.25 C ATOM 1461 CD GLU A 88 0.863 -1.890 4.767 1.00 0.86 C ATOM 1462 OE1 GLU A 88 1.505 -2.657 4.036 1.00 1.28 O ATOM 1463 OE2 GLU A 88 1.221 -1.634 5.934 1.00 1.24 O ATOM 0 H GLU A 88 -3.567 -0.661 4.581 1.00 0.20 H new ATOM 0 HA GLU A 88 -2.717 -3.055 5.966 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.264 -3.224 4.279 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.275 -2.019 3.508 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -0.263 -1.018 3.170 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.610 -0.337 4.747 1.00 0.25 H new ATOM 1470 N GLN A 89 -1.564 -0.111 6.806 1.00 0.22 N ATOM 1471 CA GLN A 89 -0.735 0.615 7.754 1.00 0.24 C ATOM 1472 C GLN A 89 -1.430 0.809 9.102 1.00 0.29 C ATOM 1473 O GLN A 89 -0.773 0.849 10.143 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.349 1.965 7.158 1.00 0.25 C ATOM 1475 CG GLN A 89 0.587 1.852 5.966 1.00 0.27 C ATOM 1476 CD GLN A 89 2.021 1.528 6.367 1.00 0.32 C ATOM 1477 OE1 GLN A 89 2.475 1.911 7.447 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.749 0.821 5.510 1.00 0.38 N ATOM 0 H GLN A 89 -2.084 0.486 6.163 1.00 0.22 H new ATOM 0 HA GLN A 89 0.160 0.021 7.941 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.253 2.491 6.852 1.00 0.25 H new ATOM 0 HB3 GLN A 89 0.127 2.571 7.928 1.00 0.25 H new ATOM 0 HG2 GLN A 89 0.219 1.077 5.294 1.00 0.27 H new ATOM 0 HG3 GLN A 89 0.574 2.789 5.410 1.00 0.27 H new ATOM 0 HE21 GLN A 89 2.343 0.519 4.624 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.714 0.580 5.738 1.00 0.38 H new ATOM 1487 N PHE A 90 -2.752 0.926 9.091 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.491 1.163 10.329 1.00 0.34 C ATOM 1489 C PHE A 90 -4.661 0.197 10.505 1.00 0.37 C ATOM 1490 O PHE A 90 -4.930 -0.253 11.617 1.00 0.43 O ATOM 1491 CB PHE A 90 -3.999 2.601 10.392 1.00 0.37 C ATOM 1492 CG PHE A 90 -2.918 3.625 10.596 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.404 3.870 11.859 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.419 4.347 9.522 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.412 4.813 12.048 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.427 5.291 9.706 1.00 0.53 C ATOM 1497 CZ PHE A 90 -0.923 5.524 10.969 1.00 0.62 C ATOM 0 H PHE A 90 -3.330 0.862 8.253 1.00 0.29 H new ATOM 0 HA PHE A 90 -2.790 0.989 11.145 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -4.530 2.828 9.468 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -4.722 2.685 11.204 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -2.783 3.317 12.706 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -2.810 4.169 8.531 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.019 4.994 13.038 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.046 5.846 8.862 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.147 6.261 11.114 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.376 -0.102 9.430 1.00 0.36 N ATOM 1508 CA GLY A 91 -6.466 -1.052 9.524 1.00 0.41 C ATOM 1509 C GLY A 91 -7.747 -0.532 8.921 1.00 0.43 C ATOM 1510 O GLY A 91 -8.273 0.500 9.338 1.00 0.51 O ATOM 0 H GLY A 91 -5.223 0.292 8.502 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.181 -1.976 9.020 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -6.637 -1.300 10.572 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.265 -1.279 7.965 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.442 -0.888 7.199 1.00 0.47 C ATOM 1516 C GLU A 92 -10.650 -0.680 8.109 1.00 0.54 C ATOM 1517 O GLU A 92 -11.544 0.115 7.816 1.00 0.63 O ATOM 1518 CB GLU A 92 -9.730 -1.977 6.167 1.00 0.50 C ATOM 1519 CG GLU A 92 -10.781 -1.619 5.134 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.322 -0.574 4.138 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -9.463 0.258 4.487 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -10.845 -0.582 3.000 1.00 2.23 O ATOM 0 H GLU A 92 -7.880 -2.183 7.693 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.248 0.061 6.698 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -8.802 -2.221 5.650 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -10.049 -2.878 6.691 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.070 -2.521 4.594 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -11.672 -1.255 5.646 1.00 0.92 H new ATOM 1529 N GLU A 93 -10.654 -1.380 9.230 1.00 0.57 N ATOM 1530 CA GLU A 93 -11.776 -1.331 10.153 1.00 0.66 C ATOM 1531 C GLU A 93 -11.851 0.000 10.903 1.00 0.68 C ATOM 1532 O GLU A 93 -12.938 0.527 11.132 1.00 0.79 O ATOM 1533 CB GLU A 93 -11.682 -2.491 11.148 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.379 -2.522 11.933 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.260 -3.747 12.810 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -9.851 -4.810 12.300 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -10.567 -3.654 14.016 1.00 1.33 O ATOM 0 H GLU A 93 -9.892 -1.990 9.524 1.00 0.57 H new ATOM 0 HA GLU A 93 -12.689 -1.423 9.565 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.515 -2.426 11.848 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -11.792 -3.431 10.607 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.539 -2.494 11.238 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.311 -1.628 12.552 1.00 0.68 H new ATOM 1544 N ASN A 94 -10.702 0.555 11.273 1.00 0.61 N ATOM 1545 CA ASN A 94 -10.690 1.680 12.203 1.00 0.64 C ATOM 1546 C ASN A 94 -10.486 3.030 11.519 1.00 0.65 C ATOM 1547 O ASN A 94 -11.208 3.985 11.798 1.00 0.81 O ATOM 1548 CB ASN A 94 -9.635 1.464 13.304 1.00 0.63 C ATOM 1549 CG ASN A 94 -8.205 1.441 12.786 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -7.535 2.468 12.734 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -7.720 0.269 12.410 1.00 0.70 N ATOM 0 H ASN A 94 -9.783 0.252 10.951 1.00 0.61 H new ATOM 0 HA ASN A 94 -11.681 1.713 12.656 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -9.730 2.256 14.046 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -9.842 0.523 13.814 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -6.763 0.200 12.064 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.303 -0.566 12.466 1.00 0.70 H new ATOM 1558 N VAL A 95 -9.514 3.124 10.633 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.166 4.412 10.045 1.00 0.58 C ATOM 1560 C VAL A 95 -9.931 4.694 8.760 1.00 0.62 C ATOM 1561 O VAL A 95 -10.287 5.839 8.493 1.00 0.76 O ATOM 1562 CB VAL A 95 -7.659 4.527 9.777 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -6.935 5.046 11.008 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.104 3.181 9.368 1.00 0.49 C ATOM 0 H VAL A 95 -8.954 2.337 10.304 1.00 0.54 H new ATOM 0 HA VAL A 95 -9.454 5.160 10.784 1.00 0.58 H new ATOM 0 HB VAL A 95 -7.502 5.236 8.964 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -5.868 5.121 10.798 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -7.323 6.030 11.270 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.094 4.360 11.840 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.034 3.271 9.179 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.272 2.460 10.168 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -7.605 2.841 8.462 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.202 3.662 7.972 1.00 0.57 N ATOM 1575 CA ASN A 96 -10.916 3.852 6.709 1.00 0.68 C ATOM 1576 C ASN A 96 -12.330 4.325 6.995 1.00 0.85 C ATOM 1577 O ASN A 96 -12.908 5.100 6.237 1.00 1.03 O ATOM 1578 CB ASN A 96 -10.970 2.557 5.903 1.00 0.69 C ATOM 1579 CG ASN A 96 -11.350 2.788 4.445 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -12.531 2.917 4.107 1.00 1.85 O ATOM 1581 ND2 ASN A 96 -10.354 2.793 3.569 1.00 0.66 N ATOM 0 H ASN A 96 -9.944 2.697 8.177 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.380 4.599 6.123 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -9.998 2.065 5.948 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -11.692 1.879 6.359 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -10.550 2.906 2.574 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -9.392 2.683 3.890 1.00 0.66 H new ATOM 1588 N THR A 97 -12.868 3.866 8.119 1.00 0.85 N ATOM 1589 CA THR A 97 -14.208 4.237 8.530 1.00 1.05 C ATOM 1590 C THR A 97 -14.226 5.687 9.025 1.00 1.15 C ATOM 1591 O THR A 97 -15.287 6.298 9.173 1.00 1.33 O ATOM 1592 CB THR A 97 -14.728 3.287 9.639 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.162 3.263 9.633 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.238 3.710 11.017 1.00 1.08 C ATOM 0 H THR A 97 -12.391 3.234 8.761 1.00 0.85 H new ATOM 0 HA THR A 97 -14.868 4.148 7.667 1.00 1.05 H new ATOM 0 HB THR A 97 -14.338 2.291 9.428 1.00 1.09 H new ATOM 0 HG1 THR A 97 -16.482 2.659 10.336 1.00 1.33 H new ATOM 0 HG21 THR A 97 -14.623 3.020 11.768 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.148 3.695 11.036 1.00 1.08 H new ATOM 0 HG23 THR A 97 -14.591 4.718 11.235 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.036 6.231 9.266 1.00 1.07 N ATOM 1603 CA TYR A 98 -12.887 7.586 9.771 1.00 1.22 C ATOM 1604 C TYR A 98 -12.567 8.552 8.634 1.00 1.24 C ATOM 1605 O TYR A 98 -13.024 9.694 8.629 1.00 1.41 O ATOM 1606 CB TYR A 98 -11.786 7.618 10.838 1.00 1.27 C ATOM 1607 CG TYR A 98 -11.464 9.000 11.362 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -12.393 9.720 12.104 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -10.225 9.576 11.124 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -12.093 10.978 12.590 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -9.919 10.831 11.605 1.00 2.45 C ATOM 1612 CZ TYR A 98 -10.856 11.528 12.338 1.00 2.47 C ATOM 1613 OH TYR A 98 -10.547 12.779 12.825 1.00 2.92 O ATOM 0 H TYR A 98 -12.153 5.744 9.116 1.00 1.07 H new ATOM 0 HA TYR A 98 -13.827 7.903 10.223 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -12.088 6.987 11.674 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -10.879 7.181 10.420 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -13.363 9.290 12.303 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -9.488 9.032 10.552 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -12.825 11.527 13.164 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -8.950 11.266 11.409 1.00 2.45 H new ATOM 0 HH TYR A 98 -9.635 13.018 12.558 1.00 2.92 H new ATOM 1623 N PHE A 99 -11.779 8.092 7.672 1.00 1.23 N ATOM 1624 CA PHE A 99 -11.451 8.901 6.506 1.00 1.37 C ATOM 1625 C PHE A 99 -12.531 8.754 5.440 1.00 1.73 C ATOM 1626 O PHE A 99 -13.606 8.215 5.708 1.00 2.11 O ATOM 1627 CB PHE A 99 -10.088 8.501 5.937 1.00 1.72 C ATOM 1628 CG PHE A 99 -8.947 8.702 6.897 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -8.692 9.952 7.438 1.00 3.47 C ATOM 1630 CD2 PHE A 99 -8.128 7.643 7.256 1.00 3.29 C ATOM 1631 CE1 PHE A 99 -7.643 10.142 8.316 1.00 4.65 C ATOM 1632 CE2 PHE A 99 -7.078 7.827 8.135 1.00 4.51 C ATOM 1633 CZ PHE A 99 -6.836 9.077 8.666 1.00 5.17 C ATOM 0 H PHE A 99 -11.355 7.164 7.676 1.00 1.23 H new ATOM 0 HA PHE A 99 -11.402 9.945 6.815 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -10.122 7.452 5.641 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -9.897 9.081 5.034 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -9.321 10.788 7.170 1.00 3.47 H new ATOM 0 HD2 PHE A 99 -8.313 6.662 6.844 1.00 3.29 H new ATOM 0 HE1 PHE A 99 -7.454 11.122 8.728 1.00 4.65 H new ATOM 0 HE2 PHE A 99 -6.447 6.993 8.406 1.00 4.51 H new ATOM 0 HZ PHE A 99 -6.017 9.223 9.354 1.00 5.17 H new ATOM 1643 N VAL A 100 -12.250 9.239 4.241 1.00 1.96 N ATOM 1644 CA VAL A 100 -13.214 9.190 3.154 1.00 2.64 C ATOM 1645 C VAL A 100 -12.929 8.007 2.238 1.00 3.27 C ATOM 1646 O VAL A 100 -13.734 7.051 2.235 1.00 3.70 O ATOM 1647 CB VAL A 100 -13.202 10.484 2.335 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -14.405 10.555 1.405 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -13.140 11.695 3.250 1.00 3.58 C ATOM 1650 OXT VAL A 100 -11.889 8.030 1.543 1.00 3.84 O ATOM 0 H VAL A 100 -11.360 9.672 3.996 1.00 1.96 H new ATOM 0 HA VAL A 100 -14.201 9.073 3.601 1.00 2.64 H new ATOM 0 HB VAL A 100 -12.307 10.485 1.713 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -14.371 11.484 0.836 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -14.385 9.708 0.719 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -15.322 10.524 1.993 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -13.132 12.605 2.650 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -14.011 11.700 3.906 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -12.233 11.650 3.852 1.00 3.58 H new TER 1660 VAL A 100