USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 966 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 72:sc= 0.069 USER MOD Single : A 24 TYR OH : rot 134:sc= 0.394 USER MOD Single : A 29 GLN : amide:sc= -0.0209 K(o=-0.021,f=-0.59) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 37 THR OG1 : rot -50:sc= 0.801 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 13:sc= -0.64 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -0.0348 X(o=-0.035,f=-0.42) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.0103 X(o=-0.01,f=0.055) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.7) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 CYS SG : rot 27:sc= -0.468 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.994 K(o=-0.99,f=-5.1!) USER MOD Single : A 71 TYR OH : rot 0:sc= 0 USER MOD Single : A 73 HIS :FLIP no HD1:sc= 0.0203 F(o=-0.58,f=0.02) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc=-0.00347 K(o=-0.0035,f=-1.6) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 74:sc= 0.0816 USER MOD Single : A 96 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.74) USER MOD Single : A 100 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.44) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -128:sc= -1.2 (180deg=-3.18) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -116:sc= -1.02 (180deg=-2.92!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.465 17.876 -2.067 1.00 0.00 N ATOM 2 CA GLY A 1 17.643 18.926 -1.494 1.00 0.00 C ATOM 3 C GLY A 1 17.467 20.102 -2.434 1.00 0.00 C ATOM 4 O GLY A 1 18.113 21.137 -2.271 1.00 0.00 O ATOM 0 H1 GLY A 1 18.555 17.095 -1.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.021 17.525 -2.940 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.408 18.255 -2.286 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.665 18.519 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.096 19.272 -0.565 1.00 0.00 H new ATOM 8 N SER A 2 16.592 19.943 -3.422 1.00 0.00 N ATOM 9 CA SER A 2 16.338 20.999 -4.395 1.00 0.00 C ATOM 10 C SER A 2 14.906 21.513 -4.277 1.00 0.00 C ATOM 11 O SER A 2 13.968 20.890 -4.773 1.00 0.00 O ATOM 12 CB SER A 2 16.592 20.485 -5.814 1.00 0.00 C ATOM 13 OG SER A 2 16.884 21.554 -6.698 1.00 0.00 O ATOM 0 H SER A 2 16.047 19.093 -3.570 1.00 0.00 H new ATOM 0 HA SER A 2 17.020 21.823 -4.187 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.422 19.779 -5.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.716 19.943 -6.170 1.00 0.00 H new ATOM 0 HG SER A 2 17.044 21.200 -7.598 1.00 0.00 H new ATOM 19 N SER A 3 14.748 22.655 -3.615 1.00 0.00 N ATOM 20 CA SER A 3 13.431 23.253 -3.428 1.00 0.00 C ATOM 21 C SER A 3 13.196 24.376 -4.433 1.00 0.00 C ATOM 22 O SER A 3 14.091 25.172 -4.712 1.00 0.00 O ATOM 23 CB SER A 3 13.291 23.792 -2.002 1.00 0.00 C ATOM 24 OG SER A 3 11.929 23.858 -1.614 1.00 0.00 O ATOM 0 H SER A 3 15.515 23.184 -3.200 1.00 0.00 H new ATOM 0 HA SER A 3 12.681 22.479 -3.593 1.00 0.00 H new ATOM 0 HB2 SER A 3 13.839 23.150 -1.312 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.739 24.784 -1.939 1.00 0.00 H new ATOM 0 HG SER A 3 11.866 24.204 -0.699 1.00 0.00 H new ATOM 30 N GLY A 4 11.983 24.433 -4.975 1.00 0.00 N ATOM 31 CA GLY A 4 11.650 25.461 -5.944 1.00 0.00 C ATOM 32 C GLY A 4 10.154 25.610 -6.140 1.00 0.00 C ATOM 33 O GLY A 4 9.647 25.439 -7.249 1.00 0.00 O ATOM 0 H GLY A 4 11.225 23.785 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.067 26.413 -5.617 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.116 25.220 -6.899 1.00 0.00 H new ATOM 37 N SER A 5 9.446 25.928 -5.062 1.00 0.00 N ATOM 38 CA SER A 5 7.998 26.094 -5.120 1.00 0.00 C ATOM 39 C SER A 5 7.603 27.531 -4.790 1.00 0.00 C ATOM 40 O SER A 5 8.172 28.153 -3.893 1.00 0.00 O ATOM 41 CB SER A 5 7.313 25.130 -4.150 1.00 0.00 C ATOM 42 OG SER A 5 5.909 25.133 -4.334 1.00 0.00 O ATOM 0 H SER A 5 9.851 26.076 -4.138 1.00 0.00 H new ATOM 0 HA SER A 5 7.672 25.869 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.700 24.122 -4.300 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.549 25.413 -3.124 1.00 0.00 H new ATOM 0 HG SER A 5 5.495 24.507 -3.703 1.00 0.00 H new ATOM 48 N SER A 6 6.624 28.051 -5.523 1.00 0.00 N ATOM 49 CA SER A 6 6.154 29.415 -5.312 1.00 0.00 C ATOM 50 C SER A 6 4.716 29.422 -4.802 1.00 0.00 C ATOM 51 O SER A 6 3.796 28.992 -5.497 1.00 0.00 O ATOM 52 CB SER A 6 6.249 30.216 -6.612 1.00 0.00 C ATOM 53 OG SER A 6 7.558 30.722 -6.805 1.00 0.00 O ATOM 0 H SER A 6 6.141 27.549 -6.268 1.00 0.00 H new ATOM 0 HA SER A 6 6.791 29.880 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.973 29.582 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.537 31.041 -6.587 1.00 0.00 H new ATOM 0 HG SER A 6 7.593 31.228 -7.643 1.00 0.00 H new ATOM 59 N GLY A 7 4.530 29.913 -3.580 1.00 0.00 N ATOM 60 CA GLY A 7 3.203 29.966 -2.996 1.00 0.00 C ATOM 61 C GLY A 7 3.209 29.649 -1.514 1.00 0.00 C ATOM 62 O GLY A 7 3.200 28.483 -1.123 1.00 0.00 O ATOM 0 H GLY A 7 5.275 30.275 -2.985 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.781 30.959 -3.150 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.553 29.260 -3.513 1.00 0.00 H new ATOM 66 N GLU A 8 3.226 30.690 -0.687 1.00 0.00 N ATOM 67 CA GLU A 8 3.236 30.516 0.761 1.00 0.00 C ATOM 68 C GLU A 8 1.904 29.955 1.250 1.00 0.00 C ATOM 69 O GLU A 8 0.929 30.690 1.405 1.00 0.00 O ATOM 70 CB GLU A 8 3.527 31.848 1.455 1.00 0.00 C ATOM 71 CG GLU A 8 2.557 32.955 1.079 1.00 0.00 C ATOM 72 CD GLU A 8 3.112 34.338 1.362 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.179 34.718 2.549 1.00 0.00 O ATOM 74 OE2 GLU A 8 3.480 35.039 0.396 1.00 0.00 O ATOM 0 H GLU A 8 3.233 31.662 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 8 4.024 29.805 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.496 31.700 2.534 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.540 32.164 1.206 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.313 32.875 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.627 32.821 1.631 1.00 0.00 H new ATOM 81 N GLU A 9 1.871 28.648 1.491 1.00 0.00 N ATOM 82 CA GLU A 9 0.659 27.988 1.961 1.00 0.00 C ATOM 83 C GLU A 9 0.984 26.948 3.029 1.00 0.00 C ATOM 84 O GLU A 9 2.148 26.740 3.373 1.00 0.00 O ATOM 85 CB GLU A 9 -0.073 27.324 0.793 1.00 0.00 C ATOM 86 CG GLU A 9 -1.046 28.249 0.080 1.00 0.00 C ATOM 87 CD GLU A 9 -2.315 28.485 0.875 1.00 0.00 C ATOM 88 OE1 GLU A 9 -2.259 28.408 2.120 1.00 0.00 O ATOM 89 OE2 GLU A 9 -3.365 28.748 0.251 1.00 0.00 O ATOM 0 H GLU A 9 2.670 28.026 1.368 1.00 0.00 H new ATOM 0 HA GLU A 9 0.012 28.746 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.661 26.960 0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.616 26.454 1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.559 29.205 -0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -1.303 27.822 -0.890 1.00 0.00 H new ATOM 96 N ASP A 10 -0.051 26.298 3.548 1.00 0.00 N ATOM 97 CA ASP A 10 0.123 25.279 4.576 1.00 0.00 C ATOM 98 C ASP A 10 -0.331 23.913 4.071 1.00 0.00 C ATOM 99 O ASP A 10 -1.442 23.769 3.559 1.00 0.00 O ATOM 100 CB ASP A 10 -0.657 25.656 5.836 1.00 0.00 C ATOM 101 CG ASP A 10 -2.158 25.580 5.632 1.00 0.00 C ATOM 102 OD1 ASP A 10 -2.736 26.562 5.121 1.00 0.00 O ATOM 103 OD2 ASP A 10 -2.753 24.540 5.984 1.00 0.00 O ATOM 0 H ASP A 10 -1.020 26.459 3.274 1.00 0.00 H new ATOM 0 HA ASP A 10 1.184 25.222 4.819 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.370 24.991 6.650 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.385 26.667 6.139 1.00 0.00 H new ATOM 108 N TRP A 11 0.534 22.916 4.216 1.00 0.00 N ATOM 109 CA TRP A 11 0.221 21.562 3.773 1.00 0.00 C ATOM 110 C TRP A 11 1.041 20.534 4.544 1.00 0.00 C ATOM 111 O TRP A 11 2.263 20.471 4.407 1.00 0.00 O ATOM 112 CB TRP A 11 0.483 21.422 2.273 1.00 0.00 C ATOM 113 CG TRP A 11 -0.413 20.424 1.604 1.00 0.00 C ATOM 114 CD1 TRP A 11 -1.301 19.583 2.212 1.00 0.00 C ATOM 115 CD2 TRP A 11 -0.507 20.163 0.199 1.00 0.00 C ATOM 116 NE1 TRP A 11 -1.941 18.814 1.270 1.00 0.00 N ATOM 117 CE2 TRP A 11 -1.472 19.151 0.027 1.00 0.00 C ATOM 118 CE3 TRP A 11 0.128 20.686 -0.930 1.00 0.00 C ATOM 119 CZ2 TRP A 11 -1.814 18.654 -1.228 1.00 0.00 C ATOM 120 CZ3 TRP A 11 -0.212 20.191 -2.175 1.00 0.00 C ATOM 121 CH2 TRP A 11 -1.176 19.185 -2.316 1.00 0.00 C ATOM 0 H TRP A 11 1.457 23.019 4.637 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.835 21.376 3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 11 0.352 22.394 1.796 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.521 21.128 2.119 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -1.475 19.530 3.277 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -2.650 18.107 1.464 1.00 0.00 H new ATOM 0 HE3 TRP A 11 0.871 21.463 -0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.556 17.877 -1.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 0.274 20.587 -3.054 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.421 18.821 -3.303 1.00 0.00 H new ATOM 132 N VAL A 12 0.362 19.729 5.354 1.00 0.00 N ATOM 133 CA VAL A 12 1.028 18.702 6.146 1.00 0.00 C ATOM 134 C VAL A 12 1.557 17.580 5.259 1.00 0.00 C ATOM 135 O VAL A 12 2.587 16.973 5.554 1.00 0.00 O ATOM 136 CB VAL A 12 0.079 18.103 7.201 1.00 0.00 C ATOM 137 CG1 VAL A 12 -1.134 17.474 6.533 1.00 0.00 C ATOM 138 CG2 VAL A 12 0.813 17.083 8.060 1.00 0.00 C ATOM 0 H VAL A 12 -0.650 19.768 5.479 1.00 0.00 H new ATOM 0 HA VAL A 12 1.863 19.186 6.652 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.269 18.907 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.793 17.056 7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.671 18.234 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.808 16.681 5.860 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.128 16.670 8.800 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.191 16.280 7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.646 17.568 8.568 1.00 0.00 H new ATOM 148 N LEU A 13 0.845 17.310 4.170 1.00 0.00 N ATOM 149 CA LEU A 13 1.243 16.261 3.237 1.00 0.00 C ATOM 150 C LEU A 13 2.745 16.303 2.979 1.00 0.00 C ATOM 151 O LEU A 13 3.473 15.347 3.248 1.00 0.00 O ATOM 152 CB LEU A 13 0.482 16.409 1.918 1.00 0.00 C ATOM 153 CG LEU A 13 1.240 15.994 0.657 1.00 0.00 C ATOM 154 CD1 LEU A 13 1.377 14.481 0.590 1.00 0.00 C ATOM 155 CD2 LEU A 13 0.538 16.524 -0.585 1.00 0.00 C ATOM 0 H LEU A 13 -0.010 17.802 3.911 1.00 0.00 H new ATOM 0 HA LEU A 13 0.997 15.298 3.685 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.431 15.818 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.180 17.451 1.810 1.00 0.00 H new ATOM 0 HG LEU A 13 2.240 16.427 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.919 14.204 -0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.924 14.126 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.386 14.026 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.091 16.219 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.474 16.121 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.493 17.612 -0.541 1.00 0.00 H new ATOM 167 N PRO A 14 3.223 17.437 2.446 1.00 0.00 N ATOM 168 CA PRO A 14 4.644 17.632 2.143 1.00 0.00 C ATOM 169 C PRO A 14 5.495 17.750 3.402 1.00 0.00 C ATOM 170 O PRO A 14 6.717 17.604 3.353 1.00 0.00 O ATOM 171 CB PRO A 14 4.662 18.948 1.361 1.00 0.00 C ATOM 172 CG PRO A 14 3.443 19.675 1.814 1.00 0.00 C ATOM 173 CD PRO A 14 2.413 18.617 2.101 1.00 0.00 C ATOM 0 HA PRO A 14 5.063 16.788 1.595 1.00 0.00 H new ATOM 0 HB2 PRO A 14 5.565 19.521 1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.640 18.770 0.286 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.651 20.269 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.091 20.364 1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.756 18.907 2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.778 18.429 1.235 1.00 0.00 H new ATOM 181 N SER A 15 4.843 18.013 4.530 1.00 0.00 N ATOM 182 CA SER A 15 5.541 18.153 5.803 1.00 0.00 C ATOM 183 C SER A 15 5.889 16.786 6.384 1.00 0.00 C ATOM 184 O SER A 15 6.974 16.591 6.931 1.00 0.00 O ATOM 185 CB SER A 15 4.682 18.938 6.796 1.00 0.00 C ATOM 186 OG SER A 15 5.471 19.457 7.853 1.00 0.00 O ATOM 0 H SER A 15 3.832 18.134 4.588 1.00 0.00 H new ATOM 0 HA SER A 15 6.467 18.699 5.624 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.178 19.755 6.279 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.905 18.290 7.202 1.00 0.00 H new ATOM 0 HG SER A 15 4.899 19.956 8.473 1.00 0.00 H new ATOM 192 N GLU A 16 4.960 15.843 6.261 1.00 0.00 N ATOM 193 CA GLU A 16 5.168 14.495 6.775 1.00 0.00 C ATOM 194 C GLU A 16 6.127 13.714 5.882 1.00 0.00 C ATOM 195 O GLU A 16 7.040 13.045 6.366 1.00 0.00 O ATOM 196 CB GLU A 16 3.834 13.753 6.881 1.00 0.00 C ATOM 197 CG GLU A 16 3.961 12.348 7.446 1.00 0.00 C ATOM 198 CD GLU A 16 4.673 12.320 8.784 1.00 0.00 C ATOM 199 OE1 GLU A 16 4.450 13.243 9.595 1.00 0.00 O ATOM 200 OE2 GLU A 16 5.453 11.373 9.020 1.00 0.00 O ATOM 0 H GLU A 16 4.057 15.988 5.810 1.00 0.00 H new ATOM 0 HA GLU A 16 5.609 14.577 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.157 14.329 7.512 1.00 0.00 H new ATOM 0 HB3 GLU A 16 3.379 13.698 5.892 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.967 11.914 7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.503 11.723 6.737 1.00 0.00 H new ATOM 207 N VAL A 17 5.913 13.803 4.573 1.00 0.00 N ATOM 208 CA VAL A 17 6.757 13.106 3.610 1.00 0.00 C ATOM 209 C VAL A 17 8.228 13.197 4.002 1.00 0.00 C ATOM 210 O VAL A 17 8.902 12.179 4.157 1.00 0.00 O ATOM 211 CB VAL A 17 6.579 13.677 2.191 1.00 0.00 C ATOM 212 CG1 VAL A 17 7.522 12.987 1.216 1.00 0.00 C ATOM 213 CG2 VAL A 17 5.134 13.536 1.738 1.00 0.00 C ATOM 0 H VAL A 17 5.162 14.352 4.155 1.00 0.00 H new ATOM 0 HA VAL A 17 6.446 12.061 3.615 1.00 0.00 H new ATOM 0 HB VAL A 17 6.828 14.738 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.382 13.403 0.218 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.553 13.144 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.307 11.919 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.026 13.945 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.855 12.482 1.733 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.483 14.080 2.423 1.00 0.00 H new ATOM 223 N GLU A 18 8.717 14.422 4.162 1.00 0.00 N ATOM 224 CA GLU A 18 10.109 14.645 4.536 1.00 0.00 C ATOM 225 C GLU A 18 10.529 13.700 5.659 1.00 0.00 C ATOM 226 O GLU A 18 11.639 13.169 5.655 1.00 0.00 O ATOM 227 CB GLU A 18 10.317 16.097 4.972 1.00 0.00 C ATOM 228 CG GLU A 18 10.094 17.105 3.858 1.00 0.00 C ATOM 229 CD GLU A 18 10.892 18.379 4.055 1.00 0.00 C ATOM 230 OE1 GLU A 18 10.928 18.885 5.197 1.00 0.00 O ATOM 231 OE2 GLU A 18 11.480 18.871 3.070 1.00 0.00 O ATOM 0 H GLU A 18 8.171 15.275 4.039 1.00 0.00 H new ATOM 0 HA GLU A 18 10.730 14.443 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.638 16.321 5.795 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.331 16.211 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.368 16.653 2.904 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.033 17.350 3.802 1.00 0.00 H new ATOM 238 N VAL A 19 9.632 13.496 6.618 1.00 0.00 N ATOM 239 CA VAL A 19 9.908 12.615 7.747 1.00 0.00 C ATOM 240 C VAL A 19 9.778 11.150 7.346 1.00 0.00 C ATOM 241 O VAL A 19 10.578 10.309 7.758 1.00 0.00 O ATOM 242 CB VAL A 19 8.958 12.900 8.926 1.00 0.00 C ATOM 243 CG1 VAL A 19 9.233 11.943 10.076 1.00 0.00 C ATOM 244 CG2 VAL A 19 9.092 14.345 9.381 1.00 0.00 C ATOM 0 H VAL A 19 8.708 13.928 6.636 1.00 0.00 H new ATOM 0 HA VAL A 19 10.933 12.813 8.060 1.00 0.00 H new ATOM 0 HB VAL A 19 7.933 12.743 8.590 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.553 12.159 10.900 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.082 10.917 9.740 1.00 0.00 H new ATOM 0 HG13 VAL A 19 10.262 12.066 10.414 1.00 0.00 H new ATOM 0 HG21 VAL A 19 8.414 14.528 10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 19 10.117 14.533 9.700 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.841 15.011 8.556 1.00 0.00 H new ATOM 254 N LEU A 20 8.766 10.851 6.540 1.00 0.00 N ATOM 255 CA LEU A 20 8.530 9.487 6.081 1.00 0.00 C ATOM 256 C LEU A 20 9.733 8.957 5.308 1.00 0.00 C ATOM 257 O LEU A 20 10.259 7.888 5.617 1.00 0.00 O ATOM 258 CB LEU A 20 7.280 9.432 5.201 1.00 0.00 C ATOM 259 CG LEU A 20 5.941 9.555 5.930 1.00 0.00 C ATOM 260 CD1 LEU A 20 4.826 9.874 4.946 1.00 0.00 C ATOM 261 CD2 LEU A 20 5.630 8.276 6.694 1.00 0.00 C ATOM 0 H LEU A 20 8.095 11.535 6.190 1.00 0.00 H new ATOM 0 HA LEU A 20 8.378 8.857 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.344 10.231 4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.287 8.490 4.652 1.00 0.00 H new ATOM 0 HG LEU A 20 6.012 10.374 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.881 9.958 5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.043 10.816 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.754 9.076 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.674 8.382 7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.578 7.439 5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.415 8.090 7.426 1.00 0.00 H new ATOM 273 N GLU A 21 10.165 9.713 4.304 1.00 0.00 N ATOM 274 CA GLU A 21 11.308 9.319 3.488 1.00 0.00 C ATOM 275 C GLU A 21 12.476 8.879 4.365 1.00 0.00 C ATOM 276 O GLU A 21 13.158 7.899 4.063 1.00 0.00 O ATOM 277 CB GLU A 21 11.741 10.476 2.585 1.00 0.00 C ATOM 278 CG GLU A 21 10.840 10.675 1.377 1.00 0.00 C ATOM 279 CD GLU A 21 11.271 11.846 0.515 1.00 0.00 C ATOM 280 OE1 GLU A 21 10.856 12.986 0.811 1.00 0.00 O ATOM 281 OE2 GLU A 21 12.024 11.621 -0.456 1.00 0.00 O ATOM 0 H GLU A 21 9.741 10.601 4.036 1.00 0.00 H new ATOM 0 HA GLU A 21 11.005 8.476 2.866 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.759 11.396 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.760 10.297 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.839 9.766 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.816 10.834 1.714 1.00 0.00 H new ATOM 288 N SER A 22 12.702 9.611 5.451 1.00 0.00 N ATOM 289 CA SER A 22 13.790 9.300 6.370 1.00 0.00 C ATOM 290 C SER A 22 13.739 7.836 6.797 1.00 0.00 C ATOM 291 O SER A 22 14.767 7.162 6.865 1.00 0.00 O ATOM 292 CB SER A 22 13.721 10.205 7.602 1.00 0.00 C ATOM 293 OG SER A 22 13.925 11.562 7.249 1.00 0.00 O ATOM 0 H SER A 22 12.146 10.424 5.716 1.00 0.00 H new ATOM 0 HA SER A 22 14.732 9.477 5.851 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.750 10.094 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.475 9.897 8.326 1.00 0.00 H new ATOM 0 HG SER A 22 13.138 11.897 6.770 1.00 0.00 H new ATOM 299 N ILE A 23 12.536 7.352 7.083 1.00 0.00 N ATOM 300 CA ILE A 23 12.349 5.968 7.503 1.00 0.00 C ATOM 301 C ILE A 23 12.162 5.050 6.300 1.00 0.00 C ATOM 302 O ILE A 23 12.925 4.103 6.104 1.00 0.00 O ATOM 303 CB ILE A 23 11.136 5.822 8.439 1.00 0.00 C ATOM 304 CG1 ILE A 23 11.314 6.697 9.682 1.00 0.00 C ATOM 305 CG2 ILE A 23 10.943 4.365 8.834 1.00 0.00 C ATOM 306 CD1 ILE A 23 10.008 7.115 10.319 1.00 0.00 C ATOM 0 H ILE A 23 11.675 7.897 7.032 1.00 0.00 H new ATOM 0 HA ILE A 23 13.250 5.678 8.043 1.00 0.00 H new ATOM 0 HB ILE A 23 10.245 6.155 7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.910 6.154 10.416 1.00 0.00 H new ATOM 0 HG13 ILE A 23 11.878 7.589 9.411 1.00 0.00 H new ATOM 0 HG21 ILE A 23 10.081 4.279 9.496 1.00 0.00 H new ATOM 0 HG22 ILE A 23 10.775 3.765 7.940 1.00 0.00 H new ATOM 0 HG23 ILE A 23 11.834 4.007 9.350 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.211 7.733 11.194 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.419 7.686 9.601 1.00 0.00 H new ATOM 0 HD13 ILE A 23 9.451 6.229 10.622 1.00 0.00 H new ATOM 318 N TYR A 24 11.145 5.337 5.496 1.00 0.00 N ATOM 319 CA TYR A 24 10.857 4.537 4.311 1.00 0.00 C ATOM 320 C TYR A 24 11.634 5.052 3.104 1.00 0.00 C ATOM 321 O TYR A 24 11.100 5.139 1.997 1.00 0.00 O ATOM 322 CB TYR A 24 9.357 4.553 4.012 1.00 0.00 C ATOM 323 CG TYR A 24 8.494 4.281 5.223 1.00 0.00 C ATOM 324 CD1 TYR A 24 8.640 3.110 5.956 1.00 0.00 C ATOM 325 CD2 TYR A 24 7.534 5.197 5.635 1.00 0.00 C ATOM 326 CE1 TYR A 24 7.853 2.858 7.063 1.00 0.00 C ATOM 327 CE2 TYR A 24 6.744 4.954 6.742 1.00 0.00 C ATOM 328 CZ TYR A 24 6.907 3.783 7.453 1.00 0.00 C ATOM 329 OH TYR A 24 6.122 3.536 8.556 1.00 0.00 O ATOM 0 H TYR A 24 10.506 6.118 5.643 1.00 0.00 H new ATOM 0 HA TYR A 24 11.170 3.512 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.089 5.524 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 24 9.140 3.808 3.247 1.00 0.00 H new ATOM 0 HD1 TYR A 24 9.381 2.384 5.655 1.00 0.00 H new ATOM 0 HD2 TYR A 24 7.403 6.114 5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.978 1.941 7.620 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.003 5.677 7.049 1.00 0.00 H new ATOM 0 HH TYR A 24 6.089 4.337 9.120 1.00 0.00 H new ATOM 339 N LEU A 25 12.899 5.391 3.324 1.00 0.00 N ATOM 340 CA LEU A 25 13.753 5.898 2.255 1.00 0.00 C ATOM 341 C LEU A 25 13.492 5.151 0.950 1.00 0.00 C ATOM 342 O LEU A 25 13.097 5.750 -0.051 1.00 0.00 O ATOM 343 CB LEU A 25 15.226 5.765 2.645 1.00 0.00 C ATOM 344 CG LEU A 25 15.826 6.945 3.410 1.00 0.00 C ATOM 345 CD1 LEU A 25 17.251 6.632 3.842 1.00 0.00 C ATOM 346 CD2 LEU A 25 15.790 8.206 2.559 1.00 0.00 C ATOM 0 H LEU A 25 13.357 5.324 4.233 1.00 0.00 H new ATOM 0 HA LEU A 25 13.517 6.951 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 15.341 4.867 3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 25 15.809 5.612 1.737 1.00 0.00 H new ATOM 0 HG LEU A 25 15.226 7.116 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 25 17.662 7.483 4.385 1.00 0.00 H new ATOM 0 HD12 LEU A 25 17.251 5.755 4.489 1.00 0.00 H new ATOM 0 HD13 LEU A 25 17.863 6.434 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.221 9.036 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 25 16.366 8.046 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.758 8.441 2.300 1.00 0.00 H new ATOM 358 N ASP A 26 13.712 3.842 0.969 1.00 0.00 N ATOM 359 CA ASP A 26 13.497 3.012 -0.211 1.00 0.00 C ATOM 360 C ASP A 26 12.133 2.332 -0.156 1.00 0.00 C ATOM 361 O ASP A 26 11.385 2.342 -1.132 1.00 0.00 O ATOM 362 CB ASP A 26 14.602 1.961 -0.329 1.00 0.00 C ATOM 363 CG ASP A 26 14.593 1.261 -1.674 1.00 0.00 C ATOM 364 OD1 ASP A 26 15.009 1.887 -2.671 1.00 0.00 O ATOM 365 OD2 ASP A 26 14.168 0.088 -1.730 1.00 0.00 O ATOM 0 H ASP A 26 14.039 3.332 1.789 1.00 0.00 H new ATOM 0 HA ASP A 26 13.525 3.657 -1.089 1.00 0.00 H new ATOM 0 HB2 ASP A 26 15.570 2.437 -0.177 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.483 1.222 0.463 1.00 0.00 H new ATOM 370 N GLU A 27 11.819 1.740 0.992 1.00 0.00 N ATOM 371 CA GLU A 27 10.545 1.052 1.173 1.00 0.00 C ATOM 372 C GLU A 27 9.419 1.798 0.463 1.00 0.00 C ATOM 373 O GLU A 27 8.670 1.215 -0.322 1.00 0.00 O ATOM 374 CB GLU A 27 10.222 0.914 2.662 1.00 0.00 C ATOM 375 CG GLU A 27 11.211 0.047 3.422 1.00 0.00 C ATOM 376 CD GLU A 27 10.881 -1.430 3.333 1.00 0.00 C ATOM 377 OE1 GLU A 27 10.052 -1.903 4.137 1.00 0.00 O ATOM 378 OE2 GLU A 27 11.453 -2.113 2.458 1.00 0.00 O ATOM 0 H GLU A 27 12.428 1.723 1.810 1.00 0.00 H new ATOM 0 HA GLU A 27 10.632 0.058 0.734 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.200 1.906 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.223 0.492 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.213 0.216 3.029 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.224 0.350 4.469 1.00 0.00 H new ATOM 385 N LEU A 28 9.305 3.092 0.745 1.00 0.00 N ATOM 386 CA LEU A 28 8.270 3.919 0.135 1.00 0.00 C ATOM 387 C LEU A 28 8.884 4.971 -0.783 1.00 0.00 C ATOM 388 O LEU A 28 10.004 5.427 -0.556 1.00 0.00 O ATOM 389 CB LEU A 28 7.428 4.598 1.217 1.00 0.00 C ATOM 390 CG LEU A 28 6.470 5.689 0.736 1.00 0.00 C ATOM 391 CD1 LEU A 28 5.321 5.860 1.718 1.00 0.00 C ATOM 392 CD2 LEU A 28 7.212 7.004 0.546 1.00 0.00 C ATOM 0 H LEU A 28 9.916 3.590 1.392 1.00 0.00 H new ATOM 0 HA LEU A 28 7.628 3.272 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.846 3.832 1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.103 5.034 1.954 1.00 0.00 H new ATOM 0 HG LEU A 28 6.057 5.386 -0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.649 6.640 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.774 4.921 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.716 6.141 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.515 7.769 0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.653 7.313 1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.000 6.873 -0.195 1.00 0.00 H new ATOM 404 N GLN A 29 8.142 5.352 -1.817 1.00 0.00 N ATOM 405 CA GLN A 29 8.614 6.352 -2.768 1.00 0.00 C ATOM 406 C GLN A 29 7.665 7.544 -2.821 1.00 0.00 C ATOM 407 O GLN A 29 6.488 7.429 -2.479 1.00 0.00 O ATOM 408 CB GLN A 29 8.755 5.735 -4.161 1.00 0.00 C ATOM 409 CG GLN A 29 10.067 4.998 -4.370 1.00 0.00 C ATOM 410 CD GLN A 29 11.226 5.935 -4.647 1.00 0.00 C ATOM 411 OE1 GLN A 29 11.091 6.902 -5.397 1.00 0.00 O ATOM 412 NE2 GLN A 29 12.374 5.653 -4.042 1.00 0.00 N ATOM 0 H GLN A 29 7.212 4.984 -2.018 1.00 0.00 H new ATOM 0 HA GLN A 29 9.590 6.703 -2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 29 7.929 5.044 -4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.668 6.523 -4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.290 4.403 -3.484 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.960 4.303 -5.203 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.441 4.841 -3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.189 6.248 -4.191 1.00 0.00 H new ATOM 421 N VAL A 30 8.184 8.690 -3.251 1.00 0.00 N ATOM 422 CA VAL A 30 7.383 9.904 -3.349 1.00 0.00 C ATOM 423 C VAL A 30 7.659 10.641 -4.654 1.00 0.00 C ATOM 424 O VAL A 30 8.814 10.857 -5.024 1.00 0.00 O ATOM 425 CB VAL A 30 7.656 10.854 -2.168 1.00 0.00 C ATOM 426 CG1 VAL A 30 6.794 12.102 -2.276 1.00 0.00 C ATOM 427 CG2 VAL A 30 7.415 10.142 -0.845 1.00 0.00 C ATOM 0 H VAL A 30 9.157 8.803 -3.537 1.00 0.00 H new ATOM 0 HA VAL A 30 6.338 9.596 -3.323 1.00 0.00 H new ATOM 0 HB VAL A 30 8.702 11.160 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.001 12.761 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.021 12.622 -3.207 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.741 11.819 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.613 10.828 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.379 9.805 -0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.080 9.282 -0.768 1.00 0.00 H new ATOM 437 N ILE A 31 6.593 11.026 -5.348 1.00 0.00 N ATOM 438 CA ILE A 31 6.721 11.740 -6.611 1.00 0.00 C ATOM 439 C ILE A 31 6.382 13.218 -6.444 1.00 0.00 C ATOM 440 O ILE A 31 5.211 13.594 -6.376 1.00 0.00 O ATOM 441 CB ILE A 31 5.810 11.135 -7.695 1.00 0.00 C ATOM 442 CG1 ILE A 31 6.039 9.626 -7.801 1.00 0.00 C ATOM 443 CG2 ILE A 31 6.061 11.810 -9.036 1.00 0.00 C ATOM 444 CD1 ILE A 31 7.336 9.259 -8.489 1.00 0.00 C ATOM 0 H ILE A 31 5.631 10.855 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 31 7.760 11.641 -6.925 1.00 0.00 H new ATOM 0 HB ILE A 31 4.771 11.307 -7.413 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.033 9.194 -6.800 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.208 9.178 -8.346 1.00 0.00 H new ATOM 0 HG21 ILE A 31 5.410 11.371 -9.792 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.852 12.876 -8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 31 7.102 11.666 -9.326 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.432 8.174 -8.529 1.00 0.00 H new ATOM 0 HD12 ILE A 31 7.337 9.661 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.174 9.678 -7.932 1.00 0.00 H new ATOM 456 N LYS A 32 7.414 14.053 -6.381 1.00 0.00 N ATOM 457 CA LYS A 32 7.227 15.490 -6.225 1.00 0.00 C ATOM 458 C LYS A 32 6.007 15.968 -7.007 1.00 0.00 C ATOM 459 O LYS A 32 5.902 15.740 -8.211 1.00 0.00 O ATOM 460 CB LYS A 32 8.474 16.241 -6.695 1.00 0.00 C ATOM 461 CG LYS A 32 9.640 16.151 -5.726 1.00 0.00 C ATOM 462 CD LYS A 32 9.501 17.153 -4.592 1.00 0.00 C ATOM 463 CE LYS A 32 10.229 16.683 -3.341 1.00 0.00 C ATOM 464 NZ LYS A 32 11.700 16.894 -3.443 1.00 0.00 N ATOM 0 H LYS A 32 8.389 13.758 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 32 7.063 15.697 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.784 15.844 -7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.220 17.290 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.697 15.142 -5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.573 16.332 -6.260 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.900 18.117 -4.906 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.446 17.304 -4.365 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.844 17.220 -2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.024 15.625 -3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.160 16.561 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.072 16.362 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.897 17.907 -3.573 1.00 0.00 H new ATOM 478 N GLY A 33 5.089 16.635 -6.314 1.00 0.00 N ATOM 479 CA GLY A 33 3.890 17.135 -6.961 1.00 0.00 C ATOM 480 C GLY A 33 4.094 18.504 -7.579 1.00 0.00 C ATOM 481 O GLY A 33 4.189 19.505 -6.870 1.00 0.00 O ATOM 0 H GLY A 33 5.154 16.838 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.578 16.433 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.081 17.185 -6.232 1.00 0.00 H new ATOM 485 N ASN A 34 4.163 18.548 -8.906 1.00 0.00 N ATOM 486 CA ASN A 34 4.359 19.805 -9.620 1.00 0.00 C ATOM 487 C ASN A 34 3.021 20.456 -9.952 1.00 0.00 C ATOM 488 O ASN A 34 2.402 20.145 -10.969 1.00 0.00 O ATOM 489 CB ASN A 34 5.156 19.566 -10.904 1.00 0.00 C ATOM 490 CG ASN A 34 5.665 20.857 -11.517 1.00 0.00 C ATOM 491 OD1 ASN A 34 4.904 21.613 -12.121 1.00 0.00 O ATOM 492 ND2 ASN A 34 6.959 21.114 -11.363 1.00 0.00 N ATOM 0 H ASN A 34 4.086 17.728 -9.508 1.00 0.00 H new ATOM 0 HA ASN A 34 4.919 20.479 -8.972 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.001 18.912 -10.688 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.527 19.047 -11.627 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.359 21.967 -11.753 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.552 20.458 -10.855 1.00 0.00 H new ATOM 499 N GLY A 35 2.579 21.364 -9.086 1.00 0.00 N ATOM 500 CA GLY A 35 1.317 22.046 -9.306 1.00 0.00 C ATOM 501 C GLY A 35 0.655 22.472 -8.010 1.00 0.00 C ATOM 502 O GLY A 35 0.408 21.646 -7.131 1.00 0.00 O ATOM 0 H GLY A 35 3.072 21.639 -8.237 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.486 22.924 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.643 21.389 -9.856 1.00 0.00 H new ATOM 506 N ARG A 36 0.369 23.764 -7.890 1.00 0.00 N ATOM 507 CA ARG A 36 -0.265 24.298 -6.691 1.00 0.00 C ATOM 508 C ARG A 36 -1.464 23.447 -6.285 1.00 0.00 C ATOM 509 O ARG A 36 -1.801 23.351 -5.105 1.00 0.00 O ATOM 510 CB ARG A 36 -0.707 25.744 -6.923 1.00 0.00 C ATOM 511 CG ARG A 36 -1.796 25.887 -7.974 1.00 0.00 C ATOM 512 CD ARG A 36 -1.208 26.041 -9.368 1.00 0.00 C ATOM 513 NE ARG A 36 -2.205 26.489 -10.336 1.00 0.00 N ATOM 514 CZ ARG A 36 -1.899 27.081 -11.486 1.00 0.00 C ATOM 515 NH1 ARG A 36 -0.631 27.294 -11.809 1.00 0.00 N ATOM 516 NH2 ARG A 36 -2.863 27.460 -12.315 1.00 0.00 N ATOM 0 H ARG A 36 0.566 24.460 -8.609 1.00 0.00 H new ATOM 0 HA ARG A 36 0.466 24.274 -5.883 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.065 26.161 -5.982 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.157 26.335 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.446 25.013 -7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.416 26.753 -7.742 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.386 26.756 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.790 25.088 -9.693 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.190 26.340 -10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.113 27.003 -11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.399 27.749 -12.692 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.840 27.297 -12.070 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.627 27.914 -13.197 1.00 0.00 H new ATOM 530 N THR A 37 -2.107 22.830 -7.272 1.00 0.00 N ATOM 531 CA THR A 37 -3.270 21.989 -7.019 1.00 0.00 C ATOM 532 C THR A 37 -3.108 20.619 -7.667 1.00 0.00 C ATOM 533 O THR A 37 -4.083 20.013 -8.113 1.00 0.00 O ATOM 534 CB THR A 37 -4.562 22.643 -7.544 1.00 0.00 C ATOM 535 OG1 THR A 37 -5.700 21.876 -7.136 1.00 0.00 O ATOM 536 CG2 THR A 37 -4.535 22.754 -9.061 1.00 0.00 C ATOM 0 H THR A 37 -1.841 22.897 -8.254 1.00 0.00 H new ATOM 0 HA THR A 37 -3.345 21.871 -5.938 1.00 0.00 H new ATOM 0 HB THR A 37 -4.632 23.646 -7.124 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.558 20.933 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.458 23.219 -9.408 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.684 23.364 -9.366 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.443 21.759 -9.497 1.00 0.00 H new ATOM 544 N SER A 38 -1.872 20.134 -7.715 1.00 0.00 N ATOM 545 CA SER A 38 -1.582 18.835 -8.312 1.00 0.00 C ATOM 546 C SER A 38 -1.454 17.760 -7.237 1.00 0.00 C ATOM 547 O SER A 38 -0.755 17.926 -6.237 1.00 0.00 O ATOM 548 CB SER A 38 -0.296 18.904 -9.137 1.00 0.00 C ATOM 549 OG SER A 38 -0.004 17.652 -9.733 1.00 0.00 O ATOM 0 H SER A 38 -1.054 20.621 -7.348 1.00 0.00 H new ATOM 0 HA SER A 38 -2.411 18.571 -8.968 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.398 19.664 -9.912 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.533 19.209 -8.499 1.00 0.00 H new ATOM 0 HG SER A 38 0.822 17.723 -10.256 1.00 0.00 H new ATOM 555 N PRO A 39 -2.144 16.629 -7.447 1.00 0.00 N ATOM 556 CA PRO A 39 -2.123 15.504 -6.508 1.00 0.00 C ATOM 557 C PRO A 39 -0.775 14.792 -6.485 1.00 0.00 C ATOM 558 O PRO A 39 -0.209 14.481 -7.533 1.00 0.00 O ATOM 559 CB PRO A 39 -3.211 14.571 -7.048 1.00 0.00 C ATOM 560 CG PRO A 39 -3.299 14.894 -8.500 1.00 0.00 C ATOM 561 CD PRO A 39 -2.997 16.362 -8.617 1.00 0.00 C ATOM 0 HA PRO A 39 -2.290 15.828 -5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.950 13.525 -6.890 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.163 14.741 -6.546 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -2.587 14.302 -9.075 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -4.291 14.667 -8.891 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.483 16.593 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.907 16.962 -8.597 1.00 0.00 H new ATOM 569 N TRP A 40 -0.266 14.538 -5.285 1.00 0.00 N ATOM 570 CA TRP A 40 1.017 13.862 -5.127 1.00 0.00 C ATOM 571 C TRP A 40 0.882 12.368 -5.400 1.00 0.00 C ATOM 572 O TRP A 40 -0.213 11.873 -5.665 1.00 0.00 O ATOM 573 CB TRP A 40 1.565 14.088 -3.717 1.00 0.00 C ATOM 574 CG TRP A 40 2.015 15.497 -3.474 1.00 0.00 C ATOM 575 CD1 TRP A 40 1.397 16.639 -3.898 1.00 0.00 C ATOM 576 CD2 TRP A 40 3.179 15.912 -2.752 1.00 0.00 C ATOM 577 NE1 TRP A 40 2.108 17.740 -3.483 1.00 0.00 N ATOM 578 CE2 TRP A 40 3.205 17.321 -2.777 1.00 0.00 C ATOM 579 CE3 TRP A 40 4.202 15.232 -2.085 1.00 0.00 C ATOM 580 CZ2 TRP A 40 4.214 18.057 -2.162 1.00 0.00 C ATOM 581 CZ3 TRP A 40 5.202 15.965 -1.475 1.00 0.00 C ATOM 582 CH2 TRP A 40 5.202 17.365 -1.516 1.00 0.00 C ATOM 0 H TRP A 40 -0.721 14.790 -4.408 1.00 0.00 H new ATOM 0 HA TRP A 40 1.714 14.283 -5.852 1.00 0.00 H new ATOM 0 HB2 TRP A 40 0.795 13.829 -2.990 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.403 13.412 -3.548 1.00 0.00 H new ATOM 0 HD1 TRP A 40 0.484 16.672 -4.474 1.00 0.00 H new ATOM 0 HE1 TRP A 40 1.859 18.711 -3.670 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.211 14.153 -2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 4.217 19.137 -2.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.997 15.449 -0.958 1.00 0.00 H new ATOM 0 HH2 TRP A 40 5.997 17.909 -1.028 1.00 0.00 H new ATOM 593 N GLU A 41 2.002 11.655 -5.332 1.00 0.00 N ATOM 594 CA GLU A 41 2.007 10.217 -5.573 1.00 0.00 C ATOM 595 C GLU A 41 3.028 9.519 -4.678 1.00 0.00 C ATOM 596 O GLU A 41 4.177 9.949 -4.578 1.00 0.00 O ATOM 597 CB GLU A 41 2.317 9.924 -7.043 1.00 0.00 C ATOM 598 CG GLU A 41 1.677 8.646 -7.557 1.00 0.00 C ATOM 599 CD GLU A 41 1.493 8.650 -9.062 1.00 0.00 C ATOM 600 OE1 GLU A 41 2.496 8.840 -9.782 1.00 0.00 O ATOM 601 OE2 GLU A 41 0.347 8.462 -9.520 1.00 0.00 O ATOM 0 H GLU A 41 2.917 12.049 -5.112 1.00 0.00 H new ATOM 0 HA GLU A 41 1.016 9.831 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.976 10.761 -7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.397 9.856 -7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.295 7.795 -7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.708 8.511 -7.077 1.00 0.00 H new ATOM 608 N ILE A 42 2.599 8.441 -4.031 1.00 0.00 N ATOM 609 CA ILE A 42 3.475 7.683 -3.146 1.00 0.00 C ATOM 610 C ILE A 42 3.246 6.183 -3.298 1.00 0.00 C ATOM 611 O ILE A 42 2.115 5.705 -3.206 1.00 0.00 O ATOM 612 CB ILE A 42 3.262 8.077 -1.672 1.00 0.00 C ATOM 613 CG1 ILE A 42 3.510 9.574 -1.480 1.00 0.00 C ATOM 614 CG2 ILE A 42 4.177 7.263 -0.769 1.00 0.00 C ATOM 615 CD1 ILE A 42 2.785 10.159 -0.289 1.00 0.00 C ATOM 0 H ILE A 42 1.651 8.073 -4.103 1.00 0.00 H new ATOM 0 HA ILE A 42 4.499 7.922 -3.434 1.00 0.00 H new ATOM 0 HB ILE A 42 2.229 7.862 -1.400 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.580 9.745 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.199 10.104 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.015 7.553 0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.956 6.202 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.216 7.450 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.007 11.224 -0.215 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.711 10.020 -0.413 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.113 9.655 0.620 1.00 0.00 H new ATOM 627 N TYR A 43 4.327 5.447 -3.530 1.00 0.00 N ATOM 628 CA TYR A 43 4.244 4.000 -3.695 1.00 0.00 C ATOM 629 C TYR A 43 4.934 3.280 -2.541 1.00 0.00 C ATOM 630 O TYR A 43 5.680 3.887 -1.772 1.00 0.00 O ATOM 631 CB TYR A 43 4.877 3.581 -5.023 1.00 0.00 C ATOM 632 CG TYR A 43 4.266 4.263 -6.227 1.00 0.00 C ATOM 633 CD1 TYR A 43 4.551 5.592 -6.516 1.00 0.00 C ATOM 634 CD2 TYR A 43 3.406 3.577 -7.075 1.00 0.00 C ATOM 635 CE1 TYR A 43 3.994 6.219 -7.614 1.00 0.00 C ATOM 636 CE2 TYR A 43 2.846 4.196 -8.177 1.00 0.00 C ATOM 637 CZ TYR A 43 3.143 5.516 -8.441 1.00 0.00 C ATOM 638 OH TYR A 43 2.588 6.137 -9.537 1.00 0.00 O ATOM 0 H TYR A 43 5.270 5.828 -3.608 1.00 0.00 H new ATOM 0 HA TYR A 43 3.191 3.719 -3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.944 3.802 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.778 2.502 -5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 43 5.219 6.144 -5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.171 2.543 -6.870 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.224 7.253 -7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.180 3.649 -8.827 1.00 0.00 H new ATOM 0 HH TYR A 43 3.050 6.986 -9.701 1.00 0.00 H new ATOM 648 N ILE A 44 4.679 1.981 -2.426 1.00 0.00 N ATOM 649 CA ILE A 44 5.276 1.176 -1.367 1.00 0.00 C ATOM 650 C ILE A 44 4.977 -0.306 -1.568 1.00 0.00 C ATOM 651 O ILE A 44 3.893 -0.677 -2.021 1.00 0.00 O ATOM 652 CB ILE A 44 4.768 1.607 0.021 1.00 0.00 C ATOM 653 CG1 ILE A 44 5.519 0.852 1.120 1.00 0.00 C ATOM 654 CG2 ILE A 44 3.270 1.367 0.135 1.00 0.00 C ATOM 655 CD1 ILE A 44 5.476 1.542 2.465 1.00 0.00 C ATOM 0 H ILE A 44 4.063 1.463 -3.053 1.00 0.00 H new ATOM 0 HA ILE A 44 6.353 1.337 -1.417 1.00 0.00 H new ATOM 0 HB ILE A 44 4.956 2.673 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.094 -0.147 1.219 1.00 0.00 H new ATOM 0 HG13 ILE A 44 6.559 0.727 0.818 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.926 1.677 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.750 1.945 -0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 44 3.060 0.307 -0.006 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.028 0.951 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.928 2.530 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 44 4.440 1.643 2.789 1.00 0.00 H new ATOM 667 N THR A 45 5.945 -1.151 -1.227 1.00 0.00 N ATOM 668 CA THR A 45 5.786 -2.593 -1.369 1.00 0.00 C ATOM 669 C THR A 45 5.493 -3.248 -0.024 1.00 0.00 C ATOM 670 O THR A 45 6.212 -3.034 0.953 1.00 0.00 O ATOM 671 CB THR A 45 7.044 -3.239 -1.978 1.00 0.00 C ATOM 672 OG1 THR A 45 7.307 -2.677 -3.269 1.00 0.00 O ATOM 673 CG2 THR A 45 6.873 -4.746 -2.101 1.00 0.00 C ATOM 0 H THR A 45 6.848 -0.861 -0.850 1.00 0.00 H new ATOM 0 HA THR A 45 4.943 -2.754 -2.040 1.00 0.00 H new ATOM 0 HB THR A 45 7.886 -3.038 -1.316 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.110 -3.092 -3.649 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.774 -5.180 -2.534 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.702 -5.175 -1.114 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.020 -4.964 -2.744 1.00 0.00 H new ATOM 681 N LEU A 46 4.433 -4.048 0.020 1.00 0.00 N ATOM 682 CA LEU A 46 4.044 -4.737 1.246 1.00 0.00 C ATOM 683 C LEU A 46 4.204 -6.246 1.096 1.00 0.00 C ATOM 684 O LEU A 46 4.298 -6.764 -0.017 1.00 0.00 O ATOM 685 CB LEU A 46 2.597 -4.398 1.608 1.00 0.00 C ATOM 686 CG LEU A 46 2.400 -3.195 2.530 1.00 0.00 C ATOM 687 CD1 LEU A 46 2.827 -1.912 1.833 1.00 0.00 C ATOM 688 CD2 LEU A 46 0.950 -3.101 2.981 1.00 0.00 C ATOM 0 H LEU A 46 3.828 -4.236 -0.779 1.00 0.00 H new ATOM 0 HA LEU A 46 4.700 -4.399 2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.046 -4.217 0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.148 -5.271 2.082 1.00 0.00 H new ATOM 0 HG LEU A 46 3.026 -3.331 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.679 -1.066 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.880 -1.979 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.228 -1.770 0.934 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.828 -2.239 3.637 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.305 -2.989 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.677 -4.008 3.520 1.00 0.00 H new ATOM 700 N HIS A 47 4.231 -6.948 2.225 1.00 0.00 N ATOM 701 CA HIS A 47 4.375 -8.400 2.219 1.00 0.00 C ATOM 702 C HIS A 47 3.971 -8.991 3.566 1.00 0.00 C ATOM 703 O HIS A 47 4.208 -8.407 4.624 1.00 0.00 O ATOM 704 CB HIS A 47 5.817 -8.788 1.891 1.00 0.00 C ATOM 705 CG HIS A 47 6.786 -8.479 2.990 1.00 0.00 C ATOM 706 ND1 HIS A 47 7.081 -9.366 4.004 1.00 0.00 N ATOM 707 CD2 HIS A 47 7.530 -7.374 3.229 1.00 0.00 C ATOM 708 CE1 HIS A 47 7.964 -8.819 4.821 1.00 0.00 C ATOM 709 NE2 HIS A 47 8.253 -7.610 4.373 1.00 0.00 N ATOM 0 H HIS A 47 4.155 -6.535 3.155 1.00 0.00 H new ATOM 0 HA HIS A 47 3.714 -8.804 1.452 1.00 0.00 H new ATOM 0 HB2 HIS A 47 5.857 -9.855 1.673 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.128 -8.266 0.986 1.00 0.00 H new ATOM 0 HD2 HIS A 47 7.551 -6.474 2.632 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.379 -9.281 5.704 1.00 0.00 H new ATOM 0 HE2 HIS A 47 8.907 -6.958 4.806 1.00 0.00 H new ATOM 718 N PRO A 48 3.345 -10.177 3.529 1.00 0.00 N ATOM 719 CA PRO A 48 2.894 -10.873 4.738 1.00 0.00 C ATOM 720 C PRO A 48 4.058 -11.402 5.569 1.00 0.00 C ATOM 721 O PRO A 48 4.688 -12.397 5.210 1.00 0.00 O ATOM 722 CB PRO A 48 2.058 -12.031 4.189 1.00 0.00 C ATOM 723 CG PRO A 48 2.597 -12.274 2.822 1.00 0.00 C ATOM 724 CD PRO A 48 3.030 -10.930 2.303 1.00 0.00 C ATOM 0 HA PRO A 48 2.343 -10.213 5.408 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.152 -12.918 4.815 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.999 -11.774 4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.436 -12.970 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.838 -12.716 2.176 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.897 -11.012 1.648 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.240 -10.448 1.727 1.00 0.00 H new ATOM 732 N ALA A 49 4.337 -10.732 6.683 1.00 0.00 N ATOM 733 CA ALA A 49 5.423 -11.138 7.566 1.00 0.00 C ATOM 734 C ALA A 49 4.952 -12.184 8.571 1.00 0.00 C ATOM 735 O ALA A 49 5.289 -12.121 9.754 1.00 0.00 O ATOM 736 CB ALA A 49 5.994 -9.927 8.291 1.00 0.00 C ATOM 0 H ALA A 49 3.826 -9.906 6.995 1.00 0.00 H new ATOM 0 HA ALA A 49 6.207 -11.586 6.955 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.804 -10.245 8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.376 -9.213 7.561 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.211 -9.455 8.884 1.00 0.00 H new ATOM 742 N THR A 50 4.169 -13.146 8.093 1.00 0.00 N ATOM 743 CA THR A 50 3.650 -14.205 8.949 1.00 0.00 C ATOM 744 C THR A 50 4.272 -15.552 8.598 1.00 0.00 C ATOM 745 O THR A 50 4.626 -16.332 9.481 1.00 0.00 O ATOM 746 CB THR A 50 2.118 -14.316 8.840 1.00 0.00 C ATOM 747 OG1 THR A 50 1.650 -15.427 9.613 1.00 0.00 O ATOM 748 CG2 THR A 50 1.690 -14.486 7.390 1.00 0.00 C ATOM 0 H THR A 50 3.880 -13.213 7.117 1.00 0.00 H new ATOM 0 HA THR A 50 3.916 -13.941 9.973 1.00 0.00 H new ATOM 0 HB THR A 50 1.681 -13.395 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.675 -15.489 9.539 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.604 -14.562 7.338 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.022 -13.625 6.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.137 -15.393 6.982 1.00 0.00 H new ATOM 756 N ALA A 51 4.403 -15.817 7.302 1.00 0.00 N ATOM 757 CA ALA A 51 4.986 -17.069 6.834 1.00 0.00 C ATOM 758 C ALA A 51 6.433 -17.206 7.293 1.00 0.00 C ATOM 759 O ALA A 51 7.021 -16.258 7.813 1.00 0.00 O ATOM 760 CB ALA A 51 4.900 -17.156 5.317 1.00 0.00 C ATOM 0 H ALA A 51 4.114 -15.182 6.558 1.00 0.00 H new ATOM 0 HA ALA A 51 4.416 -17.891 7.267 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.339 -18.095 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.855 -17.113 5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.444 -16.322 4.873 1.00 0.00 H new ATOM 766 N GLU A 52 7.002 -18.392 7.097 1.00 0.00 N ATOM 767 CA GLU A 52 8.381 -18.652 7.492 1.00 0.00 C ATOM 768 C GLU A 52 8.895 -19.941 6.859 1.00 0.00 C ATOM 769 O GLU A 52 8.340 -21.018 7.079 1.00 0.00 O ATOM 770 CB GLU A 52 8.489 -18.741 9.016 1.00 0.00 C ATOM 771 CG GLU A 52 7.307 -19.435 9.671 1.00 0.00 C ATOM 772 CD GLU A 52 7.655 -20.030 11.022 1.00 0.00 C ATOM 773 OE1 GLU A 52 8.856 -20.066 11.363 1.00 0.00 O ATOM 774 OE2 GLU A 52 6.726 -20.460 11.737 1.00 0.00 O ATOM 0 H GLU A 52 6.529 -19.187 6.667 1.00 0.00 H new ATOM 0 HA GLU A 52 8.996 -17.824 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.403 -19.275 9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.581 -17.735 9.425 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.492 -18.721 9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.944 -20.225 9.013 1.00 0.00 H new ATOM 781 N ASP A 53 9.957 -19.823 6.070 1.00 0.00 N ATOM 782 CA ASP A 53 10.547 -20.979 5.404 1.00 0.00 C ATOM 783 C ASP A 53 9.499 -21.729 4.588 1.00 0.00 C ATOM 784 O ASP A 53 9.335 -22.940 4.736 1.00 0.00 O ATOM 785 CB ASP A 53 11.180 -21.918 6.432 1.00 0.00 C ATOM 786 CG ASP A 53 11.967 -23.040 5.783 1.00 0.00 C ATOM 787 OD1 ASP A 53 13.063 -22.766 5.250 1.00 0.00 O ATOM 788 OD2 ASP A 53 11.487 -24.193 5.809 1.00 0.00 O ATOM 0 H ASP A 53 10.427 -18.939 5.876 1.00 0.00 H new ATOM 0 HA ASP A 53 11.321 -20.621 4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.839 -21.346 7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.398 -22.343 7.061 1.00 0.00 H new ATOM 793 N GLN A 54 8.794 -21.001 3.729 1.00 0.00 N ATOM 794 CA GLN A 54 7.761 -21.599 2.891 1.00 0.00 C ATOM 795 C GLN A 54 8.347 -22.092 1.572 1.00 0.00 C ATOM 796 O GLN A 54 9.158 -21.408 0.948 1.00 0.00 O ATOM 797 CB GLN A 54 6.646 -20.587 2.620 1.00 0.00 C ATOM 798 CG GLN A 54 6.090 -19.943 3.879 1.00 0.00 C ATOM 799 CD GLN A 54 5.209 -20.884 4.677 1.00 0.00 C ATOM 800 OE1 GLN A 54 5.544 -21.265 5.799 1.00 0.00 O ATOM 801 NE2 GLN A 54 4.075 -21.265 4.100 1.00 0.00 N ATOM 0 H GLN A 54 8.919 -19.998 3.595 1.00 0.00 H new ATOM 0 HA GLN A 54 7.346 -22.454 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.027 -19.807 1.961 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.835 -21.086 2.089 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.916 -19.606 4.505 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.516 -19.058 3.606 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.837 -20.924 3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.442 -21.898 4.588 1.00 0.00 H new ATOM 810 N ASP A 55 7.932 -23.283 1.155 1.00 0.00 N ATOM 811 CA ASP A 55 8.415 -23.868 -0.091 1.00 0.00 C ATOM 812 C ASP A 55 7.469 -23.549 -1.244 1.00 0.00 C ATOM 813 O ASP A 55 6.340 -24.036 -1.286 1.00 0.00 O ATOM 814 CB ASP A 55 8.567 -25.383 0.058 1.00 0.00 C ATOM 815 CG ASP A 55 9.654 -25.946 -0.836 1.00 0.00 C ATOM 816 OD1 ASP A 55 10.754 -25.357 -0.875 1.00 0.00 O ATOM 817 OD2 ASP A 55 9.404 -26.976 -1.498 1.00 0.00 O ATOM 0 H ASP A 55 7.262 -23.862 1.661 1.00 0.00 H new ATOM 0 HA ASP A 55 9.389 -23.433 -0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 55 8.795 -25.622 1.097 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.619 -25.866 -0.180 1.00 0.00 H new ATOM 822 N SER A 56 7.939 -22.728 -2.178 1.00 0.00 N ATOM 823 CA SER A 56 7.133 -22.340 -3.330 1.00 0.00 C ATOM 824 C SER A 56 5.950 -21.477 -2.900 1.00 0.00 C ATOM 825 O SER A 56 4.801 -21.776 -3.224 1.00 0.00 O ATOM 826 CB SER A 56 6.631 -23.582 -4.069 1.00 0.00 C ATOM 827 OG SER A 56 6.381 -23.297 -5.434 1.00 0.00 O ATOM 0 H SER A 56 8.873 -22.319 -2.160 1.00 0.00 H new ATOM 0 HA SER A 56 7.761 -21.755 -4.002 1.00 0.00 H new ATOM 0 HB2 SER A 56 7.370 -24.379 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.718 -23.946 -3.597 1.00 0.00 H new ATOM 0 HG SER A 56 6.063 -24.107 -5.884 1.00 0.00 H new ATOM 833 N GLN A 57 6.242 -20.407 -2.168 1.00 0.00 N ATOM 834 CA GLN A 57 5.203 -19.501 -1.693 1.00 0.00 C ATOM 835 C GLN A 57 5.672 -18.051 -1.762 1.00 0.00 C ATOM 836 O GLN A 57 6.771 -17.721 -1.315 1.00 0.00 O ATOM 837 CB GLN A 57 4.808 -19.853 -0.258 1.00 0.00 C ATOM 838 CG GLN A 57 3.481 -19.248 0.173 1.00 0.00 C ATOM 839 CD GLN A 57 2.362 -19.537 -0.807 1.00 0.00 C ATOM 840 OE1 GLN A 57 2.103 -18.752 -1.720 1.00 0.00 O ATOM 841 NE2 GLN A 57 1.691 -20.668 -0.624 1.00 0.00 N ATOM 0 H GLN A 57 7.188 -20.146 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 57 4.333 -19.614 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.752 -20.937 -0.161 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.591 -19.512 0.420 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.210 -19.638 1.154 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.596 -18.169 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.939 -21.289 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.927 -20.915 -1.253 1.00 0.00 H new ATOM 850 N TYR A 58 4.833 -17.190 -2.326 1.00 0.00 N ATOM 851 CA TYR A 58 5.162 -15.775 -2.456 1.00 0.00 C ATOM 852 C TYR A 58 3.904 -14.941 -2.675 1.00 0.00 C ATOM 853 O TYR A 58 2.916 -15.420 -3.233 1.00 0.00 O ATOM 854 CB TYR A 58 6.137 -15.562 -3.616 1.00 0.00 C ATOM 855 CG TYR A 58 5.456 -15.305 -4.941 1.00 0.00 C ATOM 856 CD1 TYR A 58 5.005 -14.034 -5.277 1.00 0.00 C ATOM 857 CD2 TYR A 58 5.261 -16.333 -5.855 1.00 0.00 C ATOM 858 CE1 TYR A 58 4.381 -13.795 -6.486 1.00 0.00 C ATOM 859 CE2 TYR A 58 4.640 -16.102 -7.067 1.00 0.00 C ATOM 860 CZ TYR A 58 4.201 -14.831 -7.378 1.00 0.00 C ATOM 861 OH TYR A 58 3.581 -14.598 -8.584 1.00 0.00 O ATOM 0 H TYR A 58 3.920 -17.447 -2.701 1.00 0.00 H new ATOM 0 HA TYR A 58 5.634 -15.451 -1.528 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.788 -14.719 -3.382 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.775 -16.441 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 58 5.145 -13.220 -4.581 1.00 0.00 H new ATOM 0 HD2 TYR A 58 5.601 -17.329 -5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.036 -12.802 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.499 -16.912 -7.768 1.00 0.00 H new ATOM 0 HH TYR A 58 3.535 -15.433 -9.095 1.00 0.00 H new ATOM 871 N VAL A 59 3.948 -13.688 -2.233 1.00 0.00 N ATOM 872 CA VAL A 59 2.813 -12.784 -2.381 1.00 0.00 C ATOM 873 C VAL A 59 3.197 -11.356 -2.013 1.00 0.00 C ATOM 874 O VAL A 59 3.600 -11.082 -0.882 1.00 0.00 O ATOM 875 CB VAL A 59 1.625 -13.227 -1.506 1.00 0.00 C ATOM 876 CG1 VAL A 59 2.114 -13.724 -0.154 1.00 0.00 C ATOM 877 CG2 VAL A 59 0.634 -12.085 -1.338 1.00 0.00 C ATOM 0 H VAL A 59 4.758 -13.276 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 59 2.515 -12.818 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 59 1.114 -14.051 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.261 -14.033 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.782 -14.573 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.649 -12.923 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.199 -12.415 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.130 -11.240 -0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.260 -11.781 -2.316 1.00 0.00 H new ATOM 887 N CYS A 60 3.069 -10.448 -2.974 1.00 0.00 N ATOM 888 CA CYS A 60 3.403 -9.046 -2.752 1.00 0.00 C ATOM 889 C CYS A 60 2.618 -8.143 -3.698 1.00 0.00 C ATOM 890 O CYS A 60 2.297 -8.533 -4.821 1.00 0.00 O ATOM 891 CB CYS A 60 4.904 -8.821 -2.940 1.00 0.00 C ATOM 892 SG CYS A 60 5.897 -9.207 -1.480 1.00 0.00 S ATOM 0 H CYS A 60 2.736 -10.658 -3.915 1.00 0.00 H new ATOM 0 HA CYS A 60 3.131 -8.792 -1.728 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.250 -9.432 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.073 -7.780 -3.216 1.00 0.00 H new ATOM 0 HG CYS A 60 5.281 -10.097 -0.759 1.00 0.00 H new ATOM 898 N PHE A 61 2.311 -6.935 -3.237 1.00 0.00 N ATOM 899 CA PHE A 61 1.562 -5.978 -4.042 1.00 0.00 C ATOM 900 C PHE A 61 2.112 -4.566 -3.860 1.00 0.00 C ATOM 901 O PHE A 61 2.780 -4.270 -2.869 1.00 0.00 O ATOM 902 CB PHE A 61 0.079 -6.012 -3.664 1.00 0.00 C ATOM 903 CG PHE A 61 -0.221 -5.347 -2.351 1.00 0.00 C ATOM 904 CD1 PHE A 61 -0.388 -3.974 -2.278 1.00 0.00 C ATOM 905 CD2 PHE A 61 -0.335 -6.095 -1.191 1.00 0.00 C ATOM 906 CE1 PHE A 61 -0.664 -3.359 -1.071 1.00 0.00 C ATOM 907 CE2 PHE A 61 -0.610 -5.486 0.019 1.00 0.00 C ATOM 908 CZ PHE A 61 -0.776 -4.116 0.079 1.00 0.00 C ATOM 0 H PHE A 61 2.569 -6.596 -2.310 1.00 0.00 H new ATOM 0 HA PHE A 61 1.670 -6.259 -5.090 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.499 -5.525 -4.449 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.253 -7.049 -3.621 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.302 -3.377 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.208 -7.167 -1.232 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.792 -2.287 -1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.695 -6.081 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.993 -3.638 1.023 1.00 0.00 H new ATOM 918 N THR A 62 1.826 -3.697 -4.825 1.00 0.00 N ATOM 919 CA THR A 62 2.293 -2.318 -4.774 1.00 0.00 C ATOM 920 C THR A 62 1.182 -1.378 -4.321 1.00 0.00 C ATOM 921 O THR A 62 0.205 -1.163 -5.040 1.00 0.00 O ATOM 922 CB THR A 62 2.818 -1.851 -6.145 1.00 0.00 C ATOM 923 OG1 THR A 62 3.861 -2.723 -6.593 1.00 0.00 O ATOM 924 CG2 THR A 62 3.342 -0.425 -6.066 1.00 0.00 C ATOM 0 H THR A 62 1.273 -3.925 -5.651 1.00 0.00 H new ATOM 0 HA THR A 62 3.109 -2.287 -4.052 1.00 0.00 H new ATOM 0 HB THR A 62 1.991 -1.879 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.188 -2.420 -7.466 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.707 -0.117 -7.046 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.538 0.241 -5.753 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.156 -0.376 -5.343 1.00 0.00 H new ATOM 932 N LEU A 63 1.336 -0.819 -3.126 1.00 0.00 N ATOM 933 CA LEU A 63 0.345 0.100 -2.577 1.00 0.00 C ATOM 934 C LEU A 63 0.565 1.515 -3.101 1.00 0.00 C ATOM 935 O LEU A 63 1.571 2.154 -2.791 1.00 0.00 O ATOM 936 CB LEU A 63 0.406 0.094 -1.048 1.00 0.00 C ATOM 937 CG LEU A 63 -0.913 0.359 -0.322 1.00 0.00 C ATOM 938 CD1 LEU A 63 -0.812 -0.057 1.137 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.298 1.827 -0.435 1.00 0.00 C ATOM 0 H LEU A 63 2.138 -0.986 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.642 -0.236 -2.896 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.788 -0.874 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.129 0.845 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.693 -0.238 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.760 0.139 1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.583 -1.121 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.020 0.512 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.239 1.998 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.518 2.443 0.012 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.413 2.093 -1.486 1.00 0.00 H new ATOM 951 N VAL A 64 -0.383 2.001 -3.895 1.00 0.00 N ATOM 952 CA VAL A 64 -0.295 3.342 -4.460 1.00 0.00 C ATOM 953 C VAL A 64 -1.174 4.322 -3.690 1.00 0.00 C ATOM 954 O VAL A 64 -2.400 4.294 -3.804 1.00 0.00 O ATOM 955 CB VAL A 64 -0.708 3.355 -5.944 1.00 0.00 C ATOM 956 CG1 VAL A 64 -0.624 4.765 -6.509 1.00 0.00 C ATOM 957 CG2 VAL A 64 0.159 2.397 -6.746 1.00 0.00 C ATOM 0 H VAL A 64 -1.222 1.486 -4.162 1.00 0.00 H new ATOM 0 HA VAL A 64 0.747 3.652 -4.378 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.743 3.021 -6.019 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.919 4.755 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.292 5.421 -5.951 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.399 5.131 -6.424 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.146 2.419 -7.792 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.204 2.698 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.042 1.386 -6.355 1.00 0.00 H new ATOM 967 N LEU A 65 -0.540 5.187 -2.907 1.00 0.00 N ATOM 968 CA LEU A 65 -1.265 6.178 -2.118 1.00 0.00 C ATOM 969 C LEU A 65 -1.461 7.467 -2.909 1.00 0.00 C ATOM 970 O LEU A 65 -0.547 8.285 -3.016 1.00 0.00 O ATOM 971 CB LEU A 65 -0.513 6.472 -0.819 1.00 0.00 C ATOM 972 CG LEU A 65 -0.578 5.386 0.256 1.00 0.00 C ATOM 973 CD1 LEU A 65 0.624 5.479 1.183 1.00 0.00 C ATOM 974 CD2 LEU A 65 -1.874 5.497 1.047 1.00 0.00 C ATOM 0 H LEU A 65 0.474 5.223 -2.801 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.246 5.769 -1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.534 6.652 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.906 7.397 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.557 4.413 -0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.560 4.698 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.540 5.350 0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.635 6.455 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.904 4.717 1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.925 6.474 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.723 5.380 0.373 1.00 0.00 H new ATOM 986 N GLN A 66 -2.658 7.641 -3.459 1.00 0.00 N ATOM 987 CA GLN A 66 -2.974 8.832 -4.239 1.00 0.00 C ATOM 988 C GLN A 66 -3.429 9.971 -3.333 1.00 0.00 C ATOM 989 O GLN A 66 -4.587 10.021 -2.916 1.00 0.00 O ATOM 990 CB GLN A 66 -4.059 8.519 -5.270 1.00 0.00 C ATOM 991 CG GLN A 66 -3.948 9.347 -6.540 1.00 0.00 C ATOM 992 CD GLN A 66 -2.522 9.462 -7.040 1.00 0.00 C ATOM 993 OE1 GLN A 66 -1.721 8.539 -6.884 1.00 0.00 O ATOM 994 NE2 GLN A 66 -2.195 10.598 -7.644 1.00 0.00 N ATOM 0 H GLN A 66 -3.425 6.973 -3.379 1.00 0.00 H new ATOM 0 HA GLN A 66 -2.069 9.146 -4.759 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -4.008 7.462 -5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -5.037 8.689 -4.819 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.566 8.897 -7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.345 10.345 -6.354 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.890 11.337 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -1.249 10.732 -8.000 1.00 0.00 H new ATOM 1003 N VAL A 67 -2.512 10.884 -3.031 1.00 0.00 N ATOM 1004 CA VAL A 67 -2.819 12.023 -2.174 1.00 0.00 C ATOM 1005 C VAL A 67 -3.270 13.224 -2.998 1.00 0.00 C ATOM 1006 O VAL A 67 -2.480 13.863 -3.694 1.00 0.00 O ATOM 1007 CB VAL A 67 -1.603 12.428 -1.320 1.00 0.00 C ATOM 1008 CG1 VAL A 67 -1.952 13.602 -0.417 1.00 0.00 C ATOM 1009 CG2 VAL A 67 -1.109 11.244 -0.503 1.00 0.00 C ATOM 0 H VAL A 67 -1.549 10.857 -3.367 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.629 11.713 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.799 12.740 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.081 13.874 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.255 14.453 -1.027 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.771 13.321 0.245 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.249 11.548 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.906 10.899 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.817 10.436 -1.173 1.00 0.00 H new ATOM 1019 N PRO A 68 -4.571 13.541 -2.920 1.00 0.00 N ATOM 1020 CA PRO A 68 -5.157 14.668 -3.651 1.00 0.00 C ATOM 1021 C PRO A 68 -4.696 16.016 -3.106 1.00 0.00 C ATOM 1022 O PRO A 68 -3.959 16.078 -2.123 1.00 0.00 O ATOM 1023 CB PRO A 68 -6.662 14.490 -3.432 1.00 0.00 C ATOM 1024 CG PRO A 68 -6.771 13.728 -2.156 1.00 0.00 C ATOM 1025 CD PRO A 68 -5.570 12.823 -2.110 1.00 0.00 C ATOM 0 HA PRO A 68 -4.862 14.670 -4.700 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.169 15.453 -3.363 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.121 13.947 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.785 14.402 -1.299 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.696 13.152 -2.123 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.223 12.668 -1.089 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -5.792 11.840 -2.524 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.135 17.091 -3.751 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.769 18.438 -3.329 1.00 0.00 C ATOM 1035 C ALA A 69 -5.451 18.806 -2.015 1.00 0.00 C ATOM 1036 O ALA A 69 -4.818 19.340 -1.106 1.00 0.00 O ATOM 1037 CB ALA A 69 -5.125 19.446 -4.411 1.00 0.00 C ATOM 0 H ALA A 69 -5.745 17.056 -4.568 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.691 18.461 -3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.846 20.447 -4.082 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.587 19.202 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.198 19.412 -4.601 1.00 0.00 H new ATOM 1043 N GLU A 70 -6.745 18.517 -1.924 1.00 0.00 N ATOM 1044 CA GLU A 70 -7.512 18.819 -0.722 1.00 0.00 C ATOM 1045 C GLU A 70 -6.767 18.362 0.529 1.00 0.00 C ATOM 1046 O GLU A 70 -6.677 19.095 1.514 1.00 0.00 O ATOM 1047 CB GLU A 70 -8.886 18.149 -0.784 1.00 0.00 C ATOM 1048 CG GLU A 70 -9.812 18.753 -1.827 1.00 0.00 C ATOM 1049 CD GLU A 70 -9.447 18.341 -3.240 1.00 0.00 C ATOM 1050 OE1 GLU A 70 -9.730 17.183 -3.611 1.00 0.00 O ATOM 1051 OE2 GLU A 70 -8.878 19.176 -3.973 1.00 0.00 O ATOM 0 H GLU A 70 -7.284 18.074 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.645 19.900 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.754 17.088 -0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -9.360 18.220 0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.837 18.448 -1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.780 19.840 -1.750 1.00 0.00 H new ATOM 1058 N TYR A 71 -6.235 17.146 0.481 1.00 0.00 N ATOM 1059 CA TYR A 71 -5.500 16.588 1.610 1.00 0.00 C ATOM 1060 C TYR A 71 -4.838 17.693 2.428 1.00 0.00 C ATOM 1061 O TYR A 71 -4.303 18.663 1.891 1.00 0.00 O ATOM 1062 CB TYR A 71 -4.443 15.598 1.119 1.00 0.00 C ATOM 1063 CG TYR A 71 -3.663 14.941 2.235 1.00 0.00 C ATOM 1064 CD1 TYR A 71 -2.587 15.586 2.831 1.00 0.00 C ATOM 1065 CD2 TYR A 71 -4.005 13.675 2.695 1.00 0.00 C ATOM 1066 CE1 TYR A 71 -1.871 14.989 3.850 1.00 0.00 C ATOM 1067 CE2 TYR A 71 -3.296 13.071 3.716 1.00 0.00 C ATOM 1068 CZ TYR A 71 -2.230 13.731 4.290 1.00 0.00 C ATOM 1069 OH TYR A 71 -1.520 13.134 5.306 1.00 0.00 O ATOM 0 H TYR A 71 -6.299 16.528 -0.328 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.210 16.063 2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.930 14.825 0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.749 16.118 0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.305 16.572 2.492 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.839 13.155 2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.035 15.504 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.575 12.087 4.063 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.802 13.733 5.599 1.00 0.00 H new ATOM 1079 N PRO A 72 -4.872 17.543 3.760 1.00 0.00 N ATOM 1080 CA PRO A 72 -5.506 16.392 4.411 1.00 0.00 C ATOM 1081 C PRO A 72 -7.025 16.414 4.276 1.00 0.00 C ATOM 1082 O PRO A 72 -7.681 15.376 4.367 1.00 0.00 O ATOM 1083 CB PRO A 72 -5.098 16.545 5.879 1.00 0.00 C ATOM 1084 CG PRO A 72 -4.841 18.003 6.050 1.00 0.00 C ATOM 1085 CD PRO A 72 -4.296 18.485 4.734 1.00 0.00 C ATOM 0 HA PRO A 72 -5.194 15.448 3.964 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -5.887 16.201 6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -4.209 15.957 6.106 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.757 18.533 6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.129 18.182 6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.597 19.512 4.526 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.206 18.463 4.718 1.00 0.00 H new ATOM 1093 N HIS A 73 -7.578 17.602 4.057 1.00 0.00 N ATOM 1094 CA HIS A 73 -9.021 17.758 3.908 1.00 0.00 C ATOM 1095 C HIS A 73 -9.640 16.512 3.284 1.00 0.00 C ATOM 1096 O HIS A 73 -10.658 16.009 3.760 1.00 0.00 O ATOM 1097 CB HIS A 73 -9.337 18.983 3.050 1.00 0.00 C ATOM 1098 CG HIS A 73 -9.015 20.284 3.720 1.00 0.00 C ATOM 1099 ND1 HIS A 73 -8.121 20.581 4.692 1.00 0.00 N flip ATOM 1100 CD2 HIS A 73 -9.648 21.468 3.408 1.00 0.00 C flip ATOM 1101 CE1 HIS A 73 -8.229 21.926 4.946 1.00 0.00 C flip ATOM 1102 NE2 HIS A 73 -9.157 22.438 4.158 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.049 18.471 3.979 1.00 0.00 H new ATOM 0 HA HIS A 73 -9.451 17.898 4.900 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -8.778 18.916 2.117 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -10.395 18.970 2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -10.424 21.584 2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.649 22.476 5.672 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.445 23.416 4.133 1.00 0.00 H new ATOM 1111 N GLU A 74 -9.020 16.019 2.217 1.00 0.00 N ATOM 1112 CA GLU A 74 -9.512 14.832 1.528 1.00 0.00 C ATOM 1113 C GLU A 74 -8.589 13.641 1.767 1.00 0.00 C ATOM 1114 O GLU A 74 -7.373 13.797 1.882 1.00 0.00 O ATOM 1115 CB GLU A 74 -9.636 15.101 0.026 1.00 0.00 C ATOM 1116 CG GLU A 74 -10.357 14.000 -0.732 1.00 0.00 C ATOM 1117 CD GLU A 74 -10.499 14.306 -2.211 1.00 0.00 C ATOM 1118 OE1 GLU A 74 -9.527 14.076 -2.960 1.00 0.00 O ATOM 1119 OE2 GLU A 74 -11.582 14.775 -2.617 1.00 0.00 O ATOM 0 H GLU A 74 -8.176 16.423 1.811 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.496 14.593 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.167 16.041 -0.124 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.639 15.228 -0.395 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.813 13.063 -0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.346 13.853 -0.299 1.00 0.00 H new ATOM 1126 N VAL A 75 -9.175 12.451 1.842 1.00 0.00 N ATOM 1127 CA VAL A 75 -8.407 11.232 2.068 1.00 0.00 C ATOM 1128 C VAL A 75 -7.835 10.693 0.762 1.00 0.00 C ATOM 1129 O VAL A 75 -8.481 10.721 -0.286 1.00 0.00 O ATOM 1130 CB VAL A 75 -9.268 10.139 2.729 1.00 0.00 C ATOM 1131 CG1 VAL A 75 -9.808 10.621 4.067 1.00 0.00 C ATOM 1132 CG2 VAL A 75 -10.403 9.725 1.804 1.00 0.00 C ATOM 0 H VAL A 75 -10.180 12.305 1.750 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.589 11.494 2.739 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.641 9.266 2.911 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.414 9.836 4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.977 10.864 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.421 11.509 3.913 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.002 8.952 2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.031 10.590 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.990 9.336 0.873 1.00 0.00 H new ATOM 1142 N PRO A 76 -6.593 10.189 0.822 1.00 0.00 N ATOM 1143 CA PRO A 76 -5.907 9.633 -0.347 1.00 0.00 C ATOM 1144 C PRO A 76 -6.524 8.317 -0.810 1.00 0.00 C ATOM 1145 O PRO A 76 -6.756 7.414 -0.006 1.00 0.00 O ATOM 1146 CB PRO A 76 -4.479 9.407 0.154 1.00 0.00 C ATOM 1147 CG PRO A 76 -4.616 9.244 1.628 1.00 0.00 C ATOM 1148 CD PRO A 76 -5.764 10.124 2.037 1.00 0.00 C ATOM 0 HA PRO A 76 -5.971 10.296 -1.210 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.035 8.523 -0.302 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.835 10.251 -0.093 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.810 8.204 1.889 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -3.699 9.536 2.140 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -6.315 9.701 2.877 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.423 11.113 2.344 1.00 0.00 H new ATOM 1156 N GLN A 77 -6.786 8.216 -2.109 1.00 0.00 N ATOM 1157 CA GLN A 77 -7.376 7.010 -2.677 1.00 0.00 C ATOM 1158 C GLN A 77 -6.395 5.843 -2.616 1.00 0.00 C ATOM 1159 O GLN A 77 -5.364 5.852 -3.289 1.00 0.00 O ATOM 1160 CB GLN A 77 -7.803 7.258 -4.124 1.00 0.00 C ATOM 1161 CG GLN A 77 -9.193 7.859 -4.254 1.00 0.00 C ATOM 1162 CD GLN A 77 -10.290 6.817 -4.165 1.00 0.00 C ATOM 1163 OE1 GLN A 77 -10.622 6.162 -5.154 1.00 0.00 O ATOM 1164 NE2 GLN A 77 -10.861 6.658 -2.977 1.00 0.00 N ATOM 0 H GLN A 77 -6.599 8.954 -2.787 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.255 6.753 -2.086 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -7.082 7.925 -4.597 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.771 6.315 -4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -9.338 8.602 -3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.271 8.382 -5.207 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.555 7.222 -2.184 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -11.606 5.972 -2.857 1.00 0.00 H new ATOM 1173 N ILE A 78 -6.724 4.842 -1.808 1.00 0.00 N ATOM 1174 CA ILE A 78 -5.872 3.668 -1.661 1.00 0.00 C ATOM 1175 C ILE A 78 -6.154 2.644 -2.755 1.00 0.00 C ATOM 1176 O ILE A 78 -7.253 2.097 -2.839 1.00 0.00 O ATOM 1177 CB ILE A 78 -6.065 3.001 -0.286 1.00 0.00 C ATOM 1178 CG1 ILE A 78 -5.652 3.959 0.833 1.00 0.00 C ATOM 1179 CG2 ILE A 78 -5.264 1.710 -0.207 1.00 0.00 C ATOM 1180 CD1 ILE A 78 -6.788 4.818 1.343 1.00 0.00 C ATOM 0 H ILE A 78 -7.574 4.820 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.842 4.013 -1.747 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.121 2.760 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.243 3.382 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.853 4.605 0.470 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.410 1.250 0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.601 1.025 -0.985 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.206 1.929 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.422 5.472 2.135 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.182 5.422 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.579 4.179 1.736 1.00 0.00 H new ATOM 1192 N SER A 79 -5.152 2.388 -3.590 1.00 0.00 N ATOM 1193 CA SER A 79 -5.292 1.430 -4.681 1.00 0.00 C ATOM 1194 C SER A 79 -4.167 0.400 -4.647 1.00 0.00 C ATOM 1195 O SER A 79 -3.149 0.598 -3.984 1.00 0.00 O ATOM 1196 CB SER A 79 -5.295 2.155 -6.027 1.00 0.00 C ATOM 1197 OG SER A 79 -6.598 2.597 -6.366 1.00 0.00 O ATOM 0 H SER A 79 -4.235 2.830 -3.532 1.00 0.00 H new ATOM 0 HA SER A 79 -6.241 0.909 -4.555 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.618 3.008 -5.985 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.920 1.488 -6.804 1.00 0.00 H new ATOM 0 HG SER A 79 -6.572 3.059 -7.230 1.00 0.00 H new ATOM 1203 N ILE A 80 -4.359 -0.700 -5.368 1.00 0.00 N ATOM 1204 CA ILE A 80 -3.361 -1.761 -5.422 1.00 0.00 C ATOM 1205 C ILE A 80 -3.048 -2.148 -6.863 1.00 0.00 C ATOM 1206 O ILE A 80 -3.949 -2.448 -7.646 1.00 0.00 O ATOM 1207 CB ILE A 80 -3.827 -3.012 -4.655 1.00 0.00 C ATOM 1208 CG1 ILE A 80 -4.098 -2.668 -3.189 1.00 0.00 C ATOM 1209 CG2 ILE A 80 -2.787 -4.117 -4.762 1.00 0.00 C ATOM 1210 CD1 ILE A 80 -4.713 -3.806 -2.405 1.00 0.00 C ATOM 0 H ILE A 80 -5.196 -0.879 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.460 -1.371 -4.949 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.755 -3.369 -5.102 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.162 -2.375 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.763 -1.805 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.131 -4.995 -4.215 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.640 -4.378 -5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -1.844 -3.772 -4.338 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.877 -3.491 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.666 -4.085 -2.855 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.040 -4.663 -2.419 1.00 0.00 H new ATOM 1222 N ARG A 81 -1.764 -2.141 -7.207 1.00 0.00 N ATOM 1223 CA ARG A 81 -1.331 -2.492 -8.554 1.00 0.00 C ATOM 1224 C ARG A 81 -0.474 -3.755 -8.538 1.00 0.00 C ATOM 1225 O ARG A 81 0.248 -4.014 -7.577 1.00 0.00 O ATOM 1226 CB ARG A 81 -0.546 -1.337 -9.178 1.00 0.00 C ATOM 1227 CG ARG A 81 -1.427 -0.222 -9.716 1.00 0.00 C ATOM 1228 CD ARG A 81 -0.632 0.754 -10.569 1.00 0.00 C ATOM 1229 NE ARG A 81 -1.484 1.488 -11.500 1.00 0.00 N ATOM 1230 CZ ARG A 81 -1.129 2.630 -12.078 1.00 0.00 C ATOM 1231 NH1 ARG A 81 0.057 3.165 -11.822 1.00 0.00 N ATOM 1232 NH2 ARG A 81 -1.960 3.239 -12.914 1.00 0.00 N ATOM 0 H ARG A 81 -1.005 -1.896 -6.571 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.219 -2.684 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.132 -0.924 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 81 0.071 -1.724 -9.989 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.236 -0.650 -10.309 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.888 0.312 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.111 1.459 -9.922 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.130 0.210 -11.127 1.00 0.00 H new ATOM 0 HE ARG A 81 -2.403 1.103 -11.719 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.699 2.699 -11.180 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.328 4.042 -12.267 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -2.873 2.830 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.686 4.116 -13.357 1.00 0.00 H new ATOM 1246 N ASN A 82 -0.561 -4.536 -9.609 1.00 0.00 N ATOM 1247 CA ASN A 82 0.206 -5.772 -9.718 1.00 0.00 C ATOM 1248 C ASN A 82 0.059 -6.616 -8.456 1.00 0.00 C ATOM 1249 O ASN A 82 1.040 -7.072 -7.867 1.00 0.00 O ATOM 1250 CB ASN A 82 1.683 -5.460 -9.968 1.00 0.00 C ATOM 1251 CG ASN A 82 1.927 -4.889 -11.352 1.00 0.00 C ATOM 1252 OD1 ASN A 82 0.986 -4.568 -12.078 1.00 0.00 O ATOM 1253 ND2 ASN A 82 3.195 -4.760 -11.723 1.00 0.00 N ATOM 0 H ASN A 82 -1.155 -4.336 -10.414 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.186 -6.341 -10.561 1.00 0.00 H new ATOM 0 HB2 ASN A 82 2.034 -4.751 -9.218 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.270 -6.370 -9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 82 3.421 -4.382 -12.643 1.00 0.00 H new ATOM 0 HD22 ASN A 82 3.943 -5.039 -11.088 1.00 0.00 H new ATOM 1260 N PRO A 83 -1.194 -6.829 -8.029 1.00 0.00 N ATOM 1261 CA PRO A 83 -1.499 -7.620 -6.833 1.00 0.00 C ATOM 1262 C PRO A 83 -1.209 -9.104 -7.029 1.00 0.00 C ATOM 1263 O PRO A 83 -2.031 -9.840 -7.576 1.00 0.00 O ATOM 1264 CB PRO A 83 -2.999 -7.391 -6.629 1.00 0.00 C ATOM 1265 CG PRO A 83 -3.518 -7.055 -7.984 1.00 0.00 C ATOM 1266 CD PRO A 83 -2.410 -6.315 -8.681 1.00 0.00 C ATOM 0 HA PRO A 83 -0.888 -7.322 -5.981 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.485 -8.281 -6.228 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -3.184 -6.582 -5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -3.790 -7.957 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -4.416 -6.440 -7.917 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.406 -6.514 -9.753 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.507 -5.236 -8.557 1.00 0.00 H new ATOM 1274 N ARG A 84 -0.036 -9.538 -6.580 1.00 0.00 N ATOM 1275 CA ARG A 84 0.362 -10.934 -6.708 1.00 0.00 C ATOM 1276 C ARG A 84 0.010 -11.718 -5.447 1.00 0.00 C ATOM 1277 O ARG A 84 -0.035 -11.161 -4.351 1.00 0.00 O ATOM 1278 CB ARG A 84 1.864 -11.036 -6.981 1.00 0.00 C ATOM 1279 CG ARG A 84 2.215 -11.049 -8.460 1.00 0.00 C ATOM 1280 CD ARG A 84 2.503 -9.648 -8.977 1.00 0.00 C ATOM 1281 NE ARG A 84 2.867 -9.651 -10.392 1.00 0.00 N ATOM 1282 CZ ARG A 84 3.618 -8.713 -10.959 1.00 0.00 C ATOM 1283 NH1 ARG A 84 4.081 -7.703 -10.237 1.00 0.00 N ATOM 1284 NH2 ARG A 84 3.906 -8.785 -12.253 1.00 0.00 N ATOM 0 H ARG A 84 0.655 -8.942 -6.124 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.183 -11.365 -7.548 1.00 0.00 H new ATOM 0 HB2 ARG A 84 2.369 -10.196 -6.504 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.248 -11.945 -6.517 1.00 0.00 H new ATOM 0 HG2 ARG A 84 3.086 -11.684 -8.623 1.00 0.00 H new ATOM 0 HG3 ARG A 84 1.392 -11.485 -9.026 1.00 0.00 H new ATOM 0 HD2 ARG A 84 1.625 -9.020 -8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 84 3.312 -9.206 -8.395 1.00 0.00 H new ATOM 0 HE ARG A 84 2.526 -10.415 -10.976 1.00 0.00 H new ATOM 0 HH11 ARG A 84 3.861 -7.644 -9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 84 4.657 -6.985 -10.675 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.551 -9.561 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.483 -8.065 -12.688 1.00 0.00 H new ATOM 1298 N GLY A 85 -0.240 -13.013 -5.611 1.00 0.00 N ATOM 1299 CA GLY A 85 -0.585 -13.852 -4.479 1.00 0.00 C ATOM 1300 C GLY A 85 -2.011 -13.636 -4.011 1.00 0.00 C ATOM 1301 O GLY A 85 -2.764 -14.594 -3.829 1.00 0.00 O ATOM 0 H GLY A 85 -0.210 -13.496 -6.509 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.450 -14.899 -4.752 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.099 -13.646 -3.656 1.00 0.00 H new ATOM 1305 N LEU A 86 -2.384 -12.376 -3.816 1.00 0.00 N ATOM 1306 CA LEU A 86 -3.729 -12.037 -3.365 1.00 0.00 C ATOM 1307 C LEU A 86 -4.747 -12.251 -4.481 1.00 0.00 C ATOM 1308 O LEU A 86 -4.387 -12.341 -5.654 1.00 0.00 O ATOM 1309 CB LEU A 86 -3.777 -10.585 -2.887 1.00 0.00 C ATOM 1310 CG LEU A 86 -2.692 -10.169 -1.893 1.00 0.00 C ATOM 1311 CD1 LEU A 86 -2.370 -8.691 -2.042 1.00 0.00 C ATOM 1312 CD2 LEU A 86 -3.125 -10.482 -0.468 1.00 0.00 C ATOM 0 H LEU A 86 -1.774 -11.572 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.984 -12.695 -2.534 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.712 -9.934 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -4.750 -10.407 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.789 -10.740 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.596 -8.413 -1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.015 -8.496 -3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.267 -8.102 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.340 -10.179 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.042 -9.939 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.303 -11.553 -0.369 1.00 0.00 H new ATOM 1324 N SER A 87 -6.020 -12.328 -4.106 1.00 0.00 N ATOM 1325 CA SER A 87 -7.091 -12.533 -5.075 1.00 0.00 C ATOM 1326 C SER A 87 -8.101 -11.391 -5.017 1.00 0.00 C ATOM 1327 O SER A 87 -8.154 -10.643 -4.041 1.00 0.00 O ATOM 1328 CB SER A 87 -7.795 -13.866 -4.814 1.00 0.00 C ATOM 1329 OG SER A 87 -8.437 -14.341 -5.985 1.00 0.00 O ATOM 0 H SER A 87 -6.335 -12.252 -3.139 1.00 0.00 H new ATOM 0 HA SER A 87 -6.648 -12.553 -6.071 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.070 -14.603 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.529 -13.744 -4.017 1.00 0.00 H new ATOM 0 HG SER A 87 -8.878 -15.195 -5.793 1.00 0.00 H new ATOM 1335 N ASP A 88 -8.900 -11.263 -6.070 1.00 0.00 N ATOM 1336 CA ASP A 88 -9.910 -10.213 -6.141 1.00 0.00 C ATOM 1337 C ASP A 88 -10.550 -9.982 -4.776 1.00 0.00 C ATOM 1338 O ASP A 88 -10.748 -8.842 -4.358 1.00 0.00 O ATOM 1339 CB ASP A 88 -10.985 -10.578 -7.166 1.00 0.00 C ATOM 1340 CG ASP A 88 -10.556 -10.273 -8.588 1.00 0.00 C ATOM 1341 OD1 ASP A 88 -10.057 -9.154 -8.831 1.00 0.00 O ATOM 1342 OD2 ASP A 88 -10.717 -11.154 -9.458 1.00 0.00 O ATOM 0 H ASP A 88 -8.868 -11.873 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 88 -9.419 -9.291 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.220 -11.639 -7.080 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.900 -10.030 -6.940 1.00 0.00 H new ATOM 1347 N GLU A 89 -10.872 -11.072 -4.086 1.00 0.00 N ATOM 1348 CA GLU A 89 -11.491 -10.987 -2.769 1.00 0.00 C ATOM 1349 C GLU A 89 -10.610 -10.200 -1.803 1.00 0.00 C ATOM 1350 O GLU A 89 -11.002 -9.143 -1.311 1.00 0.00 O ATOM 1351 CB GLU A 89 -11.752 -12.388 -2.212 1.00 0.00 C ATOM 1352 CG GLU A 89 -12.727 -12.408 -1.047 1.00 0.00 C ATOM 1353 CD GLU A 89 -13.440 -13.738 -0.905 1.00 0.00 C ATOM 1354 OE1 GLU A 89 -12.862 -14.660 -0.292 1.00 0.00 O ATOM 1355 OE2 GLU A 89 -14.577 -13.858 -1.407 1.00 0.00 O ATOM 0 H GLU A 89 -10.714 -12.024 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 89 -12.441 -10.463 -2.876 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -12.140 -13.021 -3.010 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.806 -12.824 -1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.189 -12.188 -0.125 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.465 -11.617 -1.182 1.00 0.00 H new ATOM 1362 N GLN A 90 -9.418 -10.725 -1.537 1.00 0.00 N ATOM 1363 CA GLN A 90 -8.481 -10.073 -0.630 1.00 0.00 C ATOM 1364 C GLN A 90 -8.213 -8.636 -1.065 1.00 0.00 C ATOM 1365 O GLN A 90 -8.367 -7.700 -0.279 1.00 0.00 O ATOM 1366 CB GLN A 90 -7.168 -10.854 -0.571 1.00 0.00 C ATOM 1367 CG GLN A 90 -7.286 -12.191 0.142 1.00 0.00 C ATOM 1368 CD GLN A 90 -6.062 -13.065 -0.047 1.00 0.00 C ATOM 1369 OE1 GLN A 90 -5.200 -13.144 0.829 1.00 0.00 O ATOM 1370 NE2 GLN A 90 -5.978 -13.726 -1.195 1.00 0.00 N ATOM 0 H GLN A 90 -9.079 -11.600 -1.937 1.00 0.00 H new ATOM 0 HA GLN A 90 -8.929 -10.055 0.363 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.810 -11.024 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.417 -10.247 -0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -7.443 -12.018 1.207 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -8.165 -12.719 -0.228 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.716 -13.631 -1.893 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.176 -14.329 -1.379 1.00 0.00 H new ATOM 1379 N ILE A 91 -7.811 -8.468 -2.320 1.00 0.00 N ATOM 1380 CA ILE A 91 -7.522 -7.145 -2.859 1.00 0.00 C ATOM 1381 C ILE A 91 -8.623 -6.153 -2.499 1.00 0.00 C ATOM 1382 O ILE A 91 -8.349 -5.055 -2.012 1.00 0.00 O ATOM 1383 CB ILE A 91 -7.362 -7.184 -4.390 1.00 0.00 C ATOM 1384 CG1 ILE A 91 -6.205 -8.106 -4.781 1.00 0.00 C ATOM 1385 CG2 ILE A 91 -7.135 -5.781 -4.934 1.00 0.00 C ATOM 1386 CD1 ILE A 91 -6.341 -8.691 -6.169 1.00 0.00 C ATOM 0 H ILE A 91 -7.678 -9.232 -2.983 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.583 -6.820 -2.412 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.279 -7.579 -4.827 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.270 -7.548 -4.721 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.139 -8.919 -4.058 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.024 -5.824 -6.017 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.988 -5.151 -4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.231 -5.362 -4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.486 -9.334 -6.378 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -7.258 -9.277 -6.229 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.377 -7.885 -6.902 1.00 0.00 H new ATOM 1398 N HIS A 92 -9.869 -6.547 -2.741 1.00 0.00 N ATOM 1399 CA HIS A 92 -11.013 -5.692 -2.440 1.00 0.00 C ATOM 1400 C HIS A 92 -11.036 -5.317 -0.961 1.00 0.00 C ATOM 1401 O HIS A 92 -11.182 -4.146 -0.609 1.00 0.00 O ATOM 1402 CB HIS A 92 -12.316 -6.396 -2.820 1.00 0.00 C ATOM 1403 CG HIS A 92 -13.430 -5.453 -3.155 1.00 0.00 C ATOM 1404 ND1 HIS A 92 -14.513 -5.243 -2.327 1.00 0.00 N ATOM 1405 CD2 HIS A 92 -13.625 -4.661 -4.235 1.00 0.00 C ATOM 1406 CE1 HIS A 92 -15.326 -4.364 -2.884 1.00 0.00 C ATOM 1407 NE2 HIS A 92 -14.810 -3.994 -4.042 1.00 0.00 N ATOM 0 H HIS A 92 -10.113 -7.452 -3.144 1.00 0.00 H new ATOM 0 HA HIS A 92 -10.918 -4.779 -3.027 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -12.132 -7.046 -3.675 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -12.628 -7.036 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -12.971 -4.570 -5.089 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -16.255 -4.008 -2.464 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -15.224 -3.322 -4.688 1.00 0.00 H new ATOM 1416 N THR A 93 -10.892 -6.318 -0.099 1.00 0.00 N ATOM 1417 CA THR A 93 -10.898 -6.094 1.341 1.00 0.00 C ATOM 1418 C THR A 93 -9.817 -5.099 1.747 1.00 0.00 C ATOM 1419 O THR A 93 -10.102 -4.087 2.389 1.00 0.00 O ATOM 1420 CB THR A 93 -10.687 -7.408 2.116 1.00 0.00 C ATOM 1421 OG1 THR A 93 -11.683 -8.365 1.737 1.00 0.00 O ATOM 1422 CG2 THR A 93 -10.752 -7.169 3.617 1.00 0.00 C ATOM 0 H THR A 93 -10.770 -7.293 -0.373 1.00 0.00 H new ATOM 0 HA THR A 93 -11.877 -5.686 1.593 1.00 0.00 H new ATOM 0 HB THR A 93 -9.698 -7.795 1.869 1.00 0.00 H new ATOM 0 HG1 THR A 93 -11.486 -8.704 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 93 -10.600 -8.112 4.142 1.00 0.00 H new ATOM 0 HG22 THR A 93 -9.974 -6.463 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 93 -11.728 -6.761 3.879 1.00 0.00 H new ATOM 1430 N ILE A 94 -8.578 -5.392 1.369 1.00 0.00 N ATOM 1431 CA ILE A 94 -7.455 -4.521 1.693 1.00 0.00 C ATOM 1432 C ILE A 94 -7.759 -3.072 1.326 1.00 0.00 C ATOM 1433 O ILE A 94 -7.298 -2.142 1.990 1.00 0.00 O ATOM 1434 CB ILE A 94 -6.171 -4.964 0.966 1.00 0.00 C ATOM 1435 CG1 ILE A 94 -5.811 -6.400 1.351 1.00 0.00 C ATOM 1436 CG2 ILE A 94 -5.024 -4.019 1.294 1.00 0.00 C ATOM 1437 CD1 ILE A 94 -4.700 -6.990 0.511 1.00 0.00 C ATOM 0 H ILE A 94 -8.326 -6.226 0.838 1.00 0.00 H new ATOM 0 HA ILE A 94 -7.298 -4.596 2.769 1.00 0.00 H new ATOM 0 HB ILE A 94 -6.349 -4.929 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.514 -6.423 2.400 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.698 -7.026 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.124 -4.345 0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.282 -3.009 0.975 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.844 -4.025 2.369 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.498 -8.009 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -5.002 -6.999 -0.536 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.799 -6.387 0.624 1.00 0.00 H new ATOM 1449 N LEU A 95 -8.539 -2.887 0.267 1.00 0.00 N ATOM 1450 CA LEU A 95 -8.907 -1.551 -0.188 1.00 0.00 C ATOM 1451 C LEU A 95 -9.877 -0.892 0.788 1.00 0.00 C ATOM 1452 O LEU A 95 -9.541 0.099 1.436 1.00 0.00 O ATOM 1453 CB LEU A 95 -9.536 -1.620 -1.581 1.00 0.00 C ATOM 1454 CG LEU A 95 -8.603 -2.036 -2.718 1.00 0.00 C ATOM 1455 CD1 LEU A 95 -9.404 -2.428 -3.950 1.00 0.00 C ATOM 1456 CD2 LEU A 95 -7.630 -0.912 -3.048 1.00 0.00 C ATOM 0 H LEU A 95 -8.929 -3.645 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.001 -0.947 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.370 -2.321 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.952 -0.641 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.029 -2.903 -2.392 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -8.723 -2.721 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.059 -3.264 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.005 -1.580 -4.278 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.973 -1.226 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.187 -0.026 -3.354 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.032 -0.678 -2.167 1.00 0.00 H new ATOM 1468 N GLN A 96 -11.079 -1.450 0.888 1.00 0.00 N ATOM 1469 CA GLN A 96 -12.096 -0.917 1.786 1.00 0.00 C ATOM 1470 C GLN A 96 -11.523 -0.686 3.181 1.00 0.00 C ATOM 1471 O GLN A 96 -11.788 0.339 3.810 1.00 0.00 O ATOM 1472 CB GLN A 96 -13.289 -1.871 1.864 1.00 0.00 C ATOM 1473 CG GLN A 96 -12.967 -3.194 2.539 1.00 0.00 C ATOM 1474 CD GLN A 96 -14.183 -4.089 2.678 1.00 0.00 C ATOM 1475 OE1 GLN A 96 -15.226 -3.837 2.074 1.00 0.00 O ATOM 1476 NE2 GLN A 96 -14.055 -5.142 3.477 1.00 0.00 N ATOM 0 H GLN A 96 -11.372 -2.271 0.358 1.00 0.00 H new ATOM 0 HA GLN A 96 -12.431 0.040 1.387 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -14.099 -1.383 2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -13.654 -2.066 0.856 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -12.201 -3.714 1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -12.548 -3.001 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -13.172 -5.313 3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -14.840 -5.780 3.610 1.00 0.00 H new ATOM 1485 N VAL A 97 -10.738 -1.645 3.659 1.00 0.00 N ATOM 1486 CA VAL A 97 -10.127 -1.546 4.980 1.00 0.00 C ATOM 1487 C VAL A 97 -9.360 -0.237 5.133 1.00 0.00 C ATOM 1488 O VAL A 97 -9.800 0.674 5.836 1.00 0.00 O ATOM 1489 CB VAL A 97 -9.170 -2.723 5.245 1.00 0.00 C ATOM 1490 CG1 VAL A 97 -8.522 -2.587 6.615 1.00 0.00 C ATOM 1491 CG2 VAL A 97 -9.908 -4.047 5.125 1.00 0.00 C ATOM 0 H VAL A 97 -10.510 -2.500 3.152 1.00 0.00 H new ATOM 0 HA VAL A 97 -10.938 -1.576 5.708 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.381 -2.703 4.493 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.849 -3.428 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -7.957 -1.656 6.660 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -9.295 -2.580 7.384 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -9.216 -4.868 5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.718 -4.079 5.853 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -10.319 -4.145 4.120 1.00 0.00 H new ATOM 1501 N LEU A 98 -8.212 -0.149 4.472 1.00 0.00 N ATOM 1502 CA LEU A 98 -7.382 1.049 4.534 1.00 0.00 C ATOM 1503 C LEU A 98 -8.191 2.291 4.172 1.00 0.00 C ATOM 1504 O LEU A 98 -8.027 3.349 4.776 1.00 0.00 O ATOM 1505 CB LEU A 98 -6.185 0.914 3.592 1.00 0.00 C ATOM 1506 CG LEU A 98 -5.263 -0.279 3.845 1.00 0.00 C ATOM 1507 CD1 LEU A 98 -4.313 -0.477 2.675 1.00 0.00 C ATOM 1508 CD2 LEU A 98 -4.485 -0.086 5.139 1.00 0.00 C ATOM 0 H LEU A 98 -7.834 -0.893 3.886 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.021 1.158 5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.558 0.849 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.592 1.826 3.657 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.877 -1.174 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.665 -1.330 2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.887 -0.661 1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.705 0.418 2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.834 -0.944 5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.882 0.819 5.069 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.182 0.006 5.972 1.00 0.00 H new ATOM 1520 N GLY A 99 -9.068 2.151 3.182 1.00 0.00 N ATOM 1521 CA GLY A 99 -9.891 3.269 2.758 1.00 0.00 C ATOM 1522 C GLY A 99 -10.494 4.022 3.927 1.00 0.00 C ATOM 1523 O GLY A 99 -10.447 5.251 3.974 1.00 0.00 O ATOM 0 H GLY A 99 -9.223 1.284 2.667 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.289 3.954 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.691 2.904 2.114 1.00 0.00 H new ATOM 1527 N HIS A 100 -11.064 3.283 4.874 1.00 0.00 N ATOM 1528 CA HIS A 100 -11.680 3.889 6.049 1.00 0.00 C ATOM 1529 C HIS A 100 -10.632 4.579 6.917 1.00 0.00 C ATOM 1530 O HIS A 100 -10.747 5.767 7.220 1.00 0.00 O ATOM 1531 CB HIS A 100 -12.419 2.830 6.867 1.00 0.00 C ATOM 1532 CG HIS A 100 -12.511 3.156 8.326 1.00 0.00 C ATOM 1533 ND1 HIS A 100 -13.096 4.310 8.803 1.00 0.00 N ATOM 1534 CD2 HIS A 100 -12.090 2.471 9.414 1.00 0.00 C ATOM 1535 CE1 HIS A 100 -13.029 4.321 10.123 1.00 0.00 C ATOM 1536 NE2 HIS A 100 -12.424 3.216 10.519 1.00 0.00 N ATOM 0 H HIS A 100 -11.112 2.264 4.850 1.00 0.00 H new ATOM 0 HA HIS A 100 -12.395 4.638 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -13.425 2.710 6.466 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -11.912 1.872 6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -11.585 1.516 9.414 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -13.405 5.101 10.768 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -12.235 2.958 11.488 1.00 0.00 H new ATOM 1545 N VAL A 101 -9.611 3.827 7.314 1.00 0.00 N ATOM 1546 CA VAL A 101 -8.543 4.366 8.147 1.00 0.00 C ATOM 1547 C VAL A 101 -8.206 5.799 7.749 1.00 0.00 C ATOM 1548 O VAL A 101 -7.949 6.647 8.603 1.00 0.00 O ATOM 1549 CB VAL A 101 -7.269 3.506 8.053 1.00 0.00 C ATOM 1550 CG1 VAL A 101 -6.133 4.145 8.836 1.00 0.00 C ATOM 1551 CG2 VAL A 101 -7.542 2.094 8.549 1.00 0.00 C ATOM 0 H VAL A 101 -9.501 2.842 7.072 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.906 4.353 9.175 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.968 3.447 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.242 3.523 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -5.922 5.134 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -6.420 4.237 9.884 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.631 1.500 8.475 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.869 2.130 9.588 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.322 1.639 7.939 1.00 0.00 H new ATOM 1561 N ALA A 102 -8.210 6.062 6.447 1.00 0.00 N ATOM 1562 CA ALA A 102 -7.907 7.393 5.935 1.00 0.00 C ATOM 1563 C ALA A 102 -8.709 8.459 6.672 1.00 0.00 C ATOM 1564 O ALA A 102 -8.143 9.375 7.269 1.00 0.00 O ATOM 1565 CB ALA A 102 -8.184 7.459 4.441 1.00 0.00 C ATOM 0 H ALA A 102 -8.420 5.371 5.727 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.849 7.590 6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.953 8.458 4.072 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -7.562 6.729 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.235 7.237 4.256 1.00 0.00 H new ATOM 1571 N LYS A 103 -10.032 8.336 6.626 1.00 0.00 N ATOM 1572 CA LYS A 103 -10.913 9.289 7.289 1.00 0.00 C ATOM 1573 C LYS A 103 -10.669 9.299 8.795 1.00 0.00 C ATOM 1574 O LYS A 103 -10.799 10.334 9.447 1.00 0.00 O ATOM 1575 CB LYS A 103 -12.377 8.947 7.001 1.00 0.00 C ATOM 1576 CG LYS A 103 -12.719 8.934 5.522 1.00 0.00 C ATOM 1577 CD LYS A 103 -13.947 8.085 5.240 1.00 0.00 C ATOM 1578 CE LYS A 103 -15.204 8.713 5.824 1.00 0.00 C ATOM 1579 NZ LYS A 103 -15.772 9.755 4.925 1.00 0.00 N ATOM 0 H LYS A 103 -10.517 7.585 6.136 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.694 10.282 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -12.603 7.969 7.426 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -13.017 9.670 7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -12.894 9.954 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.871 8.549 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -14.067 7.962 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -13.807 7.089 5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -15.950 7.938 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -14.972 9.156 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -16.627 10.159 5.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -15.069 10.508 4.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -16.017 9.327 4.009 1.00 0.00 H new ATOM 1593 N ALA A 104 -10.314 8.140 9.340 1.00 0.00 N ATOM 1594 CA ALA A 104 -10.048 8.017 10.768 1.00 0.00 C ATOM 1595 C ALA A 104 -8.895 8.920 11.192 1.00 0.00 C ATOM 1596 O ALA A 104 -8.709 9.191 12.377 1.00 0.00 O ATOM 1597 CB ALA A 104 -9.746 6.569 11.126 1.00 0.00 C ATOM 0 H ALA A 104 -10.204 7.273 8.814 1.00 0.00 H new ATOM 0 HA ALA A 104 -10.941 8.335 11.307 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.549 6.492 12.195 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.601 5.945 10.869 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -8.871 6.232 10.571 1.00 0.00 H new ATOM 1603 N GLY A 105 -8.121 9.383 10.214 1.00 0.00 N ATOM 1604 CA GLY A 105 -6.995 10.250 10.507 1.00 0.00 C ATOM 1605 C GLY A 105 -6.949 11.465 9.602 1.00 0.00 C ATOM 1606 O GLY A 105 -5.887 11.834 9.098 1.00 0.00 O ATOM 0 H GLY A 105 -8.254 9.173 9.225 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -7.052 10.576 11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.068 9.686 10.400 1.00 0.00 H new ATOM 1610 N LEU A 106 -8.103 12.089 9.393 1.00 0.00 N ATOM 1611 CA LEU A 106 -8.190 13.270 8.540 1.00 0.00 C ATOM 1612 C LEU A 106 -7.792 14.527 9.308 1.00 0.00 C ATOM 1613 O LEU A 106 -7.869 14.567 10.535 1.00 0.00 O ATOM 1614 CB LEU A 106 -9.610 13.422 7.991 1.00 0.00 C ATOM 1615 CG LEU A 106 -9.870 12.796 6.620 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -11.364 12.685 6.359 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -9.194 13.607 5.525 1.00 0.00 C ATOM 0 H LEU A 106 -8.991 11.798 9.802 1.00 0.00 H new ATOM 0 HA LEU A 106 -7.497 13.140 7.709 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.304 12.981 8.707 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.844 14.485 7.933 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.445 11.792 6.614 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -11.530 12.237 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.822 12.060 7.126 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -11.813 13.678 6.385 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.390 13.146 4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -9.588 14.623 5.529 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.119 13.633 5.703 1.00 0.00 H new ATOM 1629 N GLY A 107 -7.368 15.552 8.575 1.00 0.00 N ATOM 1630 CA GLY A 107 -6.967 16.797 9.204 1.00 0.00 C ATOM 1631 C GLY A 107 -5.491 16.823 9.548 1.00 0.00 C ATOM 1632 O GLY A 107 -4.863 17.882 9.544 1.00 0.00 O ATOM 0 H GLY A 107 -7.295 15.543 7.558 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.196 17.628 8.537 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.551 16.947 10.112 1.00 0.00 H new ATOM 1636 N THR A 108 -4.934 15.654 9.849 1.00 0.00 N ATOM 1637 CA THR A 108 -3.524 15.547 10.200 1.00 0.00 C ATOM 1638 C THR A 108 -2.868 14.368 9.489 1.00 0.00 C ATOM 1639 O THR A 108 -3.551 13.516 8.922 1.00 0.00 O ATOM 1640 CB THR A 108 -3.334 15.385 11.720 1.00 0.00 C ATOM 1641 OG1 THR A 108 -4.081 14.258 12.190 1.00 0.00 O ATOM 1642 CG2 THR A 108 -3.779 16.639 12.457 1.00 0.00 C ATOM 0 H THR A 108 -5.439 14.768 9.857 1.00 0.00 H new ATOM 0 HA THR A 108 -3.047 16.473 9.878 1.00 0.00 H new ATOM 0 HB THR A 108 -2.274 15.224 11.917 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.953 14.161 13.157 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.636 16.501 13.529 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.187 17.489 12.118 1.00 0.00 H new ATOM 0 HG23 THR A 108 -4.833 16.826 12.253 1.00 0.00 H new ATOM 1650 N ALA A 109 -1.540 14.326 9.525 1.00 0.00 N ATOM 1651 CA ALA A 109 -0.793 13.249 8.887 1.00 0.00 C ATOM 1652 C ALA A 109 -1.496 11.909 9.071 1.00 0.00 C ATOM 1653 O ALA A 109 -1.913 11.563 10.176 1.00 0.00 O ATOM 1654 CB ALA A 109 0.622 13.187 9.443 1.00 0.00 C ATOM 0 H ALA A 109 -0.960 15.025 9.989 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.742 13.458 7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 109 1.168 12.378 8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 109 1.129 14.133 9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 109 0.583 13.005 10.517 1.00 0.00 H new ATOM 1660 N MET A 110 -1.624 11.159 7.981 1.00 0.00 N ATOM 1661 CA MET A 110 -2.277 9.855 8.024 1.00 0.00 C ATOM 1662 C MET A 110 -1.454 8.810 7.277 1.00 0.00 C ATOM 1663 O MET A 110 -1.387 7.650 7.685 1.00 0.00 O ATOM 1664 CB MET A 110 -3.680 9.943 7.420 1.00 0.00 C ATOM 1665 CG MET A 110 -3.738 10.748 6.132 1.00 0.00 C ATOM 1666 SD MET A 110 -5.257 10.464 5.204 1.00 0.00 S ATOM 1667 CE MET A 110 -6.171 11.956 5.585 1.00 0.00 C ATOM 0 H MET A 110 -1.285 11.431 7.058 1.00 0.00 H new ATOM 0 HA MET A 110 -2.357 9.551 9.068 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.047 8.935 7.226 1.00 0.00 H new ATOM 0 HB3 MET A 110 -4.353 10.392 8.150 1.00 0.00 H new ATOM 0 HG2 MET A 110 -3.653 11.809 6.367 1.00 0.00 H new ATOM 0 HG3 MET A 110 -2.882 10.490 5.508 1.00 0.00 H new ATOM 0 HE1 MET A 110 -7.163 11.692 5.950 1.00 0.00 H new ATOM 0 HE2 MET A 110 -5.641 12.522 6.351 1.00 0.00 H new ATOM 0 HE3 MET A 110 -6.266 12.564 4.686 1.00 0.00 H new ATOM 1677 N LEU A 111 -0.828 9.229 6.182 1.00 0.00 N ATOM 1678 CA LEU A 111 -0.009 8.329 5.378 1.00 0.00 C ATOM 1679 C LEU A 111 0.697 7.302 6.258 1.00 0.00 C ATOM 1680 O LEU A 111 0.637 6.101 5.998 1.00 0.00 O ATOM 1681 CB LEU A 111 1.021 9.125 4.575 1.00 0.00 C ATOM 1682 CG LEU A 111 0.461 10.206 3.650 1.00 0.00 C ATOM 1683 CD1 LEU A 111 1.580 11.094 3.129 1.00 0.00 C ATOM 1684 CD2 LEU A 111 -0.304 9.576 2.495 1.00 0.00 C ATOM 0 H LEU A 111 -0.872 10.186 5.831 1.00 0.00 H new ATOM 0 HA LEU A 111 -0.666 7.798 4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 111 1.712 9.596 5.274 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.602 8.426 3.974 1.00 0.00 H new ATOM 0 HG LEU A 111 -0.230 10.825 4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.163 11.857 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.085 11.573 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.296 10.489 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.695 10.360 1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.365 8.933 1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -1.130 8.983 2.887 1.00 0.00 H new ATOM 1696 N TYR A 112 1.364 7.785 7.301 1.00 0.00 N ATOM 1697 CA TYR A 112 2.082 6.909 8.219 1.00 0.00 C ATOM 1698 C TYR A 112 1.192 5.763 8.688 1.00 0.00 C ATOM 1699 O TYR A 112 1.542 4.592 8.542 1.00 0.00 O ATOM 1700 CB TYR A 112 2.586 7.704 9.425 1.00 0.00 C ATOM 1701 CG TYR A 112 3.519 6.920 10.321 1.00 0.00 C ATOM 1702 CD1 TYR A 112 4.858 6.756 9.988 1.00 0.00 C ATOM 1703 CD2 TYR A 112 3.061 6.343 11.499 1.00 0.00 C ATOM 1704 CE1 TYR A 112 5.713 6.039 10.803 1.00 0.00 C ATOM 1705 CE2 TYR A 112 3.909 5.627 12.320 1.00 0.00 C ATOM 1706 CZ TYR A 112 5.235 5.477 11.968 1.00 0.00 C ATOM 1707 OH TYR A 112 6.083 4.763 12.783 1.00 0.00 O ATOM 0 H TYR A 112 1.422 8.777 7.531 1.00 0.00 H new ATOM 0 HA TYR A 112 2.935 6.488 7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 112 3.101 8.597 9.071 1.00 0.00 H new ATOM 0 HB3 TYR A 112 1.731 8.040 10.011 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.237 7.196 9.077 1.00 0.00 H new ATOM 0 HD2 TYR A 112 2.024 6.457 11.777 1.00 0.00 H new ATOM 0 HE1 TYR A 112 6.751 5.919 10.529 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.537 5.186 13.233 1.00 0.00 H new ATOM 0 HH TYR A 112 5.588 4.435 13.563 1.00 0.00 H new ATOM 1717 N GLU A 113 0.038 6.110 9.251 1.00 0.00 N ATOM 1718 CA GLU A 113 -0.903 5.110 9.741 1.00 0.00 C ATOM 1719 C GLU A 113 -1.281 4.130 8.634 1.00 0.00 C ATOM 1720 O GLU A 113 -1.077 2.922 8.762 1.00 0.00 O ATOM 1721 CB GLU A 113 -2.161 5.787 10.289 1.00 0.00 C ATOM 1722 CG GLU A 113 -2.065 6.146 11.763 1.00 0.00 C ATOM 1723 CD GLU A 113 -0.808 6.928 12.092 1.00 0.00 C ATOM 1724 OE1 GLU A 113 -0.700 8.092 11.653 1.00 0.00 O ATOM 1725 OE2 GLU A 113 0.068 6.374 12.789 1.00 0.00 O ATOM 0 H GLU A 113 -0.267 7.075 9.379 1.00 0.00 H new ATOM 0 HA GLU A 113 -0.418 4.555 10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -2.356 6.693 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -3.014 5.125 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -2.938 6.733 12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -2.086 5.233 12.358 1.00 0.00 H new ATOM 1732 N LEU A 114 -1.834 4.658 7.548 1.00 0.00 N ATOM 1733 CA LEU A 114 -2.242 3.831 6.417 1.00 0.00 C ATOM 1734 C LEU A 114 -1.242 2.704 6.178 1.00 0.00 C ATOM 1735 O LEU A 114 -1.600 1.527 6.208 1.00 0.00 O ATOM 1736 CB LEU A 114 -2.375 4.686 5.156 1.00 0.00 C ATOM 1737 CG LEU A 114 -3.668 5.492 5.025 1.00 0.00 C ATOM 1738 CD1 LEU A 114 -3.499 6.611 4.010 1.00 0.00 C ATOM 1739 CD2 LEU A 114 -4.824 4.584 4.632 1.00 0.00 C ATOM 0 H LEU A 114 -2.010 5.655 7.426 1.00 0.00 H new ATOM 0 HA LEU A 114 -3.210 3.389 6.652 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.534 5.378 5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.288 4.033 4.288 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.895 5.939 5.993 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.429 7.174 3.930 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.699 7.277 4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.248 6.186 3.038 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.736 5.174 4.543 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.605 4.109 3.676 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -4.960 3.818 5.395 1.00 0.00 H new ATOM 1751 N ILE A 115 0.013 3.074 5.943 1.00 0.00 N ATOM 1752 CA ILE A 115 1.065 2.094 5.702 1.00 0.00 C ATOM 1753 C ILE A 115 1.104 1.046 6.809 1.00 0.00 C ATOM 1754 O ILE A 115 1.044 -0.154 6.543 1.00 0.00 O ATOM 1755 CB ILE A 115 2.447 2.766 5.598 1.00 0.00 C ATOM 1756 CG1 ILE A 115 2.450 3.804 4.474 1.00 0.00 C ATOM 1757 CG2 ILE A 115 3.527 1.720 5.364 1.00 0.00 C ATOM 1758 CD1 ILE A 115 3.488 4.889 4.656 1.00 0.00 C ATOM 0 H ILE A 115 0.326 4.045 5.914 1.00 0.00 H new ATOM 0 HA ILE A 115 0.833 1.609 4.754 1.00 0.00 H new ATOM 0 HB ILE A 115 2.659 3.276 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.627 3.299 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.463 4.263 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 115 4.498 2.210 5.293 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.536 1.015 6.195 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.321 1.186 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 115 3.433 5.589 3.822 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.300 5.420 5.589 1.00 0.00 H new ATOM 0 HD13 ILE A 115 4.481 4.441 4.688 1.00 0.00 H new ATOM 1770 N GLU A 116 1.202 1.508 8.051 1.00 0.00 N ATOM 1771 CA GLU A 116 1.247 0.610 9.199 1.00 0.00 C ATOM 1772 C GLU A 116 0.192 -0.486 9.074 1.00 0.00 C ATOM 1773 O GLU A 116 0.504 -1.675 9.141 1.00 0.00 O ATOM 1774 CB GLU A 116 1.035 1.393 10.496 1.00 0.00 C ATOM 1775 CG GLU A 116 2.219 2.262 10.883 1.00 0.00 C ATOM 1776 CD GLU A 116 3.278 1.497 11.654 1.00 0.00 C ATOM 1777 OE1 GLU A 116 3.477 0.300 11.357 1.00 0.00 O ATOM 1778 OE2 GLU A 116 3.907 2.094 12.552 1.00 0.00 O ATOM 0 H GLU A 116 1.252 2.499 8.288 1.00 0.00 H new ATOM 0 HA GLU A 116 2.231 0.142 9.223 1.00 0.00 H new ATOM 0 HB2 GLU A 116 0.152 2.023 10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 116 0.830 0.691 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.665 2.684 9.982 1.00 0.00 H new ATOM 0 HG3 GLU A 116 1.869 3.099 11.487 1.00 0.00 H new ATOM 1785 N LYS A 117 -1.059 -0.076 8.894 1.00 0.00 N ATOM 1786 CA LYS A 117 -2.162 -1.020 8.759 1.00 0.00 C ATOM 1787 C LYS A 117 -1.957 -1.927 7.549 1.00 0.00 C ATOM 1788 O LYS A 117 -2.015 -3.150 7.662 1.00 0.00 O ATOM 1789 CB LYS A 117 -3.489 -0.270 8.629 1.00 0.00 C ATOM 1790 CG LYS A 117 -4.685 -1.183 8.420 1.00 0.00 C ATOM 1791 CD LYS A 117 -5.210 -1.725 9.740 1.00 0.00 C ATOM 1792 CE LYS A 117 -5.909 -0.644 10.548 1.00 0.00 C ATOM 1793 NZ LYS A 117 -6.928 -1.214 11.473 1.00 0.00 N ATOM 0 H LYS A 117 -1.334 0.905 8.838 1.00 0.00 H new ATOM 0 HA LYS A 117 -2.189 -1.640 9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.650 0.326 9.528 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -3.423 0.426 7.793 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.477 -0.635 7.910 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -4.402 -2.012 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -5.904 -2.543 9.548 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -4.384 -2.137 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -5.170 -0.085 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.388 0.063 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -7.382 -0.445 12.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -7.647 -1.726 10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -6.467 -1.869 12.136 1.00 0.00 H new ATOM 1807 N GLY A 118 -1.716 -1.317 6.393 1.00 0.00 N ATOM 1808 CA GLY A 118 -1.505 -2.085 5.179 1.00 0.00 C ATOM 1809 C GLY A 118 -0.684 -3.336 5.420 1.00 0.00 C ATOM 1810 O GLY A 118 -1.113 -4.443 5.092 1.00 0.00 O ATOM 0 H GLY A 118 -1.663 -0.305 6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.470 -2.363 4.757 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -1.002 -1.461 4.441 1.00 0.00 H new ATOM 1814 N LYS A 119 0.502 -3.162 5.995 1.00 0.00 N ATOM 1815 CA LYS A 119 1.386 -4.286 6.280 1.00 0.00 C ATOM 1816 C LYS A 119 0.705 -5.296 7.197 1.00 0.00 C ATOM 1817 O LYS A 119 0.651 -6.487 6.891 1.00 0.00 O ATOM 1818 CB LYS A 119 2.683 -3.790 6.924 1.00 0.00 C ATOM 1819 CG LYS A 119 3.593 -3.045 5.963 1.00 0.00 C ATOM 1820 CD LYS A 119 4.844 -2.536 6.660 1.00 0.00 C ATOM 1821 CE LYS A 119 4.507 -1.503 7.724 1.00 0.00 C ATOM 1822 NZ LYS A 119 4.194 -2.138 9.035 1.00 0.00 N ATOM 0 H LYS A 119 0.873 -2.253 6.273 1.00 0.00 H new ATOM 0 HA LYS A 119 1.621 -4.779 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.437 -3.135 7.759 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.223 -4.642 7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.876 -3.705 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 119 3.052 -2.206 5.525 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.373 -3.372 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 119 5.518 -2.096 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 119 5.346 -0.818 7.844 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.654 -0.908 7.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 3.204 -1.943 9.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.338 -3.166 8.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 4.821 -1.749 9.768 1.00 0.00 H new ATOM 1836 N GLU A 120 0.185 -4.812 8.321 1.00 0.00 N ATOM 1837 CA GLU A 120 -0.493 -5.674 9.281 1.00 0.00 C ATOM 1838 C GLU A 120 -1.552 -6.529 8.591 1.00 0.00 C ATOM 1839 O GLU A 120 -1.639 -7.735 8.824 1.00 0.00 O ATOM 1840 CB GLU A 120 -1.139 -4.835 10.386 1.00 0.00 C ATOM 1841 CG GLU A 120 -0.200 -4.516 11.536 1.00 0.00 C ATOM 1842 CD GLU A 120 1.014 -3.722 11.095 1.00 0.00 C ATOM 1843 OE1 GLU A 120 1.851 -4.281 10.356 1.00 0.00 O ATOM 1844 OE2 GLU A 120 1.128 -2.543 11.490 1.00 0.00 O ATOM 0 H GLU A 120 0.221 -3.828 8.588 1.00 0.00 H new ATOM 0 HA GLU A 120 0.251 -6.336 9.725 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.503 -3.902 9.956 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.007 -5.367 10.774 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -0.741 -3.953 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 120 0.128 -5.446 12.001 1.00 0.00 H new ATOM 1851 N ILE A 121 -2.355 -5.896 7.743 1.00 0.00 N ATOM 1852 CA ILE A 121 -3.408 -6.598 7.020 1.00 0.00 C ATOM 1853 C ILE A 121 -2.904 -7.927 6.468 1.00 0.00 C ATOM 1854 O ILE A 121 -3.409 -8.992 6.826 1.00 0.00 O ATOM 1855 CB ILE A 121 -3.956 -5.748 5.858 1.00 0.00 C ATOM 1856 CG1 ILE A 121 -4.658 -4.500 6.397 1.00 0.00 C ATOM 1857 CG2 ILE A 121 -4.908 -6.570 5.003 1.00 0.00 C ATOM 1858 CD1 ILE A 121 -5.020 -3.498 5.323 1.00 0.00 C ATOM 0 H ILE A 121 -2.297 -4.898 7.540 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.210 -6.784 7.734 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.120 -5.431 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -5.565 -4.801 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -4.011 -4.017 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.287 -5.955 4.186 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.379 -7.431 4.594 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -5.742 -6.914 5.615 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -5.514 -2.640 5.778 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.115 -3.168 4.814 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -5.692 -3.964 4.603 1.00 0.00 H new ATOM 1870 N LEU A 122 -1.903 -7.858 5.597 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.328 -9.057 4.996 1.00 0.00 C ATOM 1872 C LEU A 122 -1.110 -10.141 6.047 1.00 0.00 C ATOM 1873 O LEU A 122 -1.472 -11.299 5.842 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.002 -8.721 4.311 1.00 0.00 C ATOM 1875 CG LEU A 122 -0.100 -8.224 2.868 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.191 -7.535 2.453 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.418 -9.376 1.927 1.00 0.00 C ATOM 0 H LEU A 122 -1.473 -6.985 5.291 1.00 0.00 H new ATOM 0 HA LEU A 122 -2.030 -9.434 4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.507 -7.960 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 122 0.628 -9.611 4.326 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.911 -7.499 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 122 1.103 -7.188 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.376 -6.684 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.020 -8.239 2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -0.484 -9.003 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.371 -10.125 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.369 -9.826 2.211 1.00 0.00 H new ATOM 1889 N SER A 123 -0.518 -9.756 7.173 1.00 0.00 N ATOM 1890 CA SER A 123 -0.250 -10.696 8.255 1.00 0.00 C ATOM 1891 C SER A 123 -1.549 -11.293 8.790 1.00 0.00 C ATOM 1892 O SER A 123 -2.587 -10.633 8.810 1.00 0.00 O ATOM 1893 CB SER A 123 0.509 -10.001 9.387 1.00 0.00 C ATOM 1894 OG SER A 123 0.925 -10.933 10.370 1.00 0.00 O ATOM 0 H SER A 123 -0.215 -8.800 7.360 1.00 0.00 H new ATOM 0 HA SER A 123 0.365 -11.504 7.858 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.378 -9.483 8.982 1.00 0.00 H new ATOM 0 HB3 SER A 123 -0.128 -9.244 9.845 1.00 0.00 H new ATOM 0 HG SER A 123 1.409 -10.464 11.081 1.00 0.00 H new ATOM 1900 N GLY A 124 -1.482 -12.548 9.223 1.00 0.00 N ATOM 1901 CA GLY A 124 -2.658 -13.214 9.752 1.00 0.00 C ATOM 1902 C GLY A 124 -2.577 -14.722 9.624 1.00 0.00 C ATOM 1903 O GLY A 124 -2.012 -15.256 8.669 1.00 0.00 O ATOM 0 H GLY A 124 -0.634 -13.115 9.217 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -2.781 -12.948 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -3.543 -12.855 9.226 1.00 0.00 H new ATOM 1907 N PRO A 125 -3.151 -15.435 10.604 1.00 0.00 N ATOM 1908 CA PRO A 125 -3.153 -16.901 10.620 1.00 0.00 C ATOM 1909 C PRO A 125 -4.047 -17.491 9.534 1.00 0.00 C ATOM 1910 O PRO A 125 -5.264 -17.580 9.699 1.00 0.00 O ATOM 1911 CB PRO A 125 -3.703 -17.240 12.008 1.00 0.00 C ATOM 1912 CG PRO A 125 -4.522 -16.056 12.390 1.00 0.00 C ATOM 1913 CD PRO A 125 -3.842 -14.865 11.773 1.00 0.00 C ATOM 0 HA PRO A 125 -2.162 -17.312 10.427 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -4.306 -18.148 11.984 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -2.898 -17.411 12.722 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -5.544 -16.154 12.025 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -4.579 -15.954 13.474 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -4.560 -14.099 11.481 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -3.142 -14.398 12.466 1.00 0.00 H new ATOM 1921 N SER A 126 -3.436 -17.893 8.425 1.00 0.00 N ATOM 1922 CA SER A 126 -4.177 -18.472 7.310 1.00 0.00 C ATOM 1923 C SER A 126 -4.101 -19.995 7.340 1.00 0.00 C ATOM 1924 O SER A 126 -3.227 -20.572 7.987 1.00 0.00 O ATOM 1925 CB SER A 126 -3.631 -17.949 5.980 1.00 0.00 C ATOM 1926 OG SER A 126 -4.035 -16.609 5.755 1.00 0.00 O ATOM 0 H SER A 126 -2.429 -17.829 8.274 1.00 0.00 H new ATOM 0 HA SER A 126 -5.221 -18.175 7.407 1.00 0.00 H new ATOM 0 HB2 SER A 126 -2.543 -18.009 5.981 1.00 0.00 H new ATOM 0 HB3 SER A 126 -3.984 -18.580 5.165 1.00 0.00 H new ATOM 0 HG SER A 126 -3.672 -16.297 4.900 1.00 0.00 H new ATOM 1932 N SER A 127 -5.024 -20.641 6.635 1.00 0.00 N ATOM 1933 CA SER A 127 -5.066 -22.098 6.582 1.00 0.00 C ATOM 1934 C SER A 127 -4.957 -22.594 5.143 1.00 0.00 C ATOM 1935 O SER A 127 -5.964 -22.766 4.457 1.00 0.00 O ATOM 1936 CB SER A 127 -6.358 -22.616 7.216 1.00 0.00 C ATOM 1937 OG SER A 127 -6.411 -24.031 7.184 1.00 0.00 O ATOM 0 H SER A 127 -5.753 -20.178 6.092 1.00 0.00 H new ATOM 0 HA SER A 127 -4.215 -22.481 7.145 1.00 0.00 H new ATOM 0 HB2 SER A 127 -6.425 -22.270 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 127 -7.217 -22.205 6.686 1.00 0.00 H new ATOM 0 HG SER A 127 -7.246 -24.337 7.597 1.00 0.00 H new ATOM 1943 N GLY A 128 -3.727 -22.820 4.693 1.00 0.00 N ATOM 1944 CA GLY A 128 -3.508 -23.293 3.339 1.00 0.00 C ATOM 1945 C GLY A 128 -2.287 -22.666 2.696 1.00 0.00 C ATOM 1946 O GLY A 128 -2.140 -22.689 1.474 1.00 0.00 O ATOM 0 H GLY A 128 -2.878 -22.684 5.242 1.00 0.00 H new ATOM 0 HA2 GLY A 128 -3.393 -24.377 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 128 -4.387 -23.072 2.734 1.00 0.00 H new TER 1950 GLY A 128