USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1053 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 100 ASN : amide:sc= -9.07! C(o=-12!,f=-18!) USER MOD Set 1.2: A 119 TYR OH : rot -29:sc= -2.9 USER MOD Set 2.1: A 115 GLN : amide:sc= -1.09 X(o=-5.4,f=-5.4) USER MOD Set 2.2: A 117 TYR OH : rot -140:sc= -4.27! USER MOD Set 3.1: A 18 MET CE :methyl -145:sc= -0.2 (180deg=-2.47!) USER MOD Set 3.2: A 21 MET CE :methyl -160:sc= 0 (180deg=-0.693) USER MOD Set 4.1: A 1 ALA N :NH3+ -126:sc= 0.68 (180deg=0) USER MOD Set 4.2: A 42 GLN :FLIP amide:sc= -7.41! C(o=-15!,f=-6.7!) USER MOD Single : A 4 SER OG : rot 76:sc= -0.739! USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 67:sc= 0.299 USER MOD Single : A 13 ASN : amide:sc= 0.0767 K(o=0.077,f=-1.1) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -161:sc= -0.525 (180deg=-1.77!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.8!) USER MOD Single : A 27 LYS NZ :NH3+ -157:sc= -0.205 (180deg=-1.17) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0336) USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 35 ASN : amide:sc= -5.87! C(o=-5.9!,f=-6.4!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.000205 X(o=-0.0002,f=-0.0002) USER MOD Single : A 46 LYS NZ :NH3+ -156:sc= -0.196 (180deg=-1.05) USER MOD Single : A 48 THR OG1 : rot 180:sc= -1.53 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 15:sc= 0.85 USER MOD Single : A 53 SER OG : rot 180:sc= -0.758 USER MOD Single : A 57 ASN : amide:sc= -0.144 K(o=-0.14,f=-0.96) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0868 USER MOD Single : A 69 ASN : amide:sc= -0.379 K(o=-0.38,f=-5.8!) USER MOD Single : A 71 ASN :FLIP amide:sc= -1.1 F(o=-3.6!,f=-1.1) USER MOD Single : A 76 THR OG1 : rot -90:sc= -0.753 USER MOD Single : A 81 THR OG1 : rot -85:sc= -3.11! USER MOD Single : A 83 SER OG : rot 22:sc= 0.00647 USER MOD Single : A 87 ASN : amide:sc= -1.28! C(o=-1.3!,f=-6.2!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 151:sc= -0.119 (180deg=-0.701) USER MOD Single : A 96 THR OG1 : rot -140:sc= -1.34 USER MOD Single : A 98 ASN : amide:sc= -4.57! C(o=-4.6!,f=-9.8!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 THR OG1 : rot 58:sc= -0.266! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ -156:sc= 0.855 (180deg=0.305) USER MOD Single : A 129 LYS NZ :NH3+ -109:sc= -1.4 (180deg=-3.3!) USER MOD Single : A 130 LYS NZ :NH3+ -153:sc= -0.12 (180deg=-0.597) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 118.137 7.986 -8.053 1.00 0.00 N ATOM 2 CA ALA A 1 117.735 6.703 -7.410 1.00 0.00 C ATOM 3 C ALA A 1 116.295 6.365 -7.803 1.00 0.00 C ATOM 4 O ALA A 1 115.363 7.043 -7.421 1.00 0.00 O ATOM 5 CB ALA A 1 117.828 6.842 -5.890 1.00 0.00 C ATOM 0 H1 ALA A 1 119.017 7.845 -8.589 1.00 0.00 H new ATOM 0 H2 ALA A 1 117.385 8.301 -8.698 1.00 0.00 H new ATOM 0 H3 ALA A 1 118.290 8.708 -7.321 1.00 0.00 H new ATOM 0 HA ALA A 1 118.400 5.906 -7.743 1.00 0.00 H new ATOM 0 HB1 ALA A 1 117.534 5.903 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 1 118.853 7.083 -5.609 1.00 0.00 H new ATOM 0 HB3 ALA A 1 117.163 7.639 -5.556 1.00 0.00 H new ATOM 13 N PHE A 2 116.108 5.321 -8.563 1.00 0.00 N ATOM 14 CA PHE A 2 114.729 4.940 -8.980 1.00 0.00 C ATOM 15 C PHE A 2 113.948 6.202 -9.351 1.00 0.00 C ATOM 16 O PHE A 2 112.750 6.280 -9.168 1.00 0.00 O ATOM 17 CB PHE A 2 114.027 4.217 -7.823 1.00 0.00 C ATOM 18 CG PHE A 2 113.410 2.929 -8.316 1.00 0.00 C ATOM 19 CD1 PHE A 2 114.193 1.981 -8.990 1.00 0.00 C ATOM 20 CD2 PHE A 2 112.050 2.684 -8.100 1.00 0.00 C ATOM 21 CE1 PHE A 2 113.612 0.790 -9.444 1.00 0.00 C ATOM 22 CE2 PHE A 2 111.472 1.494 -8.553 1.00 0.00 C ATOM 23 CZ PHE A 2 112.254 0.548 -9.227 1.00 0.00 C ATOM 0 H PHE A 2 116.850 4.715 -8.913 1.00 0.00 H new ATOM 0 HA PHE A 2 114.776 4.276 -9.843 1.00 0.00 H new ATOM 0 HB2 PHE A 2 114.742 4.006 -7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 2 113.256 4.859 -7.396 1.00 0.00 H new ATOM 0 HD1 PHE A 2 115.243 2.169 -9.159 1.00 0.00 H new ATOM 0 HD2 PHE A 2 111.446 3.415 -7.583 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.215 0.059 -9.962 1.00 0.00 H new ATOM 0 HE2 PHE A 2 110.422 1.305 -8.383 1.00 0.00 H new ATOM 0 HZ PHE A 2 111.806 -0.370 -9.579 1.00 0.00 H new ATOM 33 N ASP A 3 114.622 7.190 -9.868 1.00 0.00 N ATOM 34 CA ASP A 3 113.924 8.451 -10.249 1.00 0.00 C ATOM 35 C ASP A 3 113.150 8.237 -11.551 1.00 0.00 C ATOM 36 O ASP A 3 113.642 8.506 -12.629 1.00 0.00 O ATOM 37 CB ASP A 3 114.956 9.564 -10.447 1.00 0.00 C ATOM 38 CG ASP A 3 114.246 10.917 -10.496 1.00 0.00 C ATOM 39 OD1 ASP A 3 114.842 11.892 -10.068 1.00 0.00 O ATOM 40 OD2 ASP A 3 113.118 10.955 -10.960 1.00 0.00 O ATOM 0 H ASP A 3 115.627 7.180 -10.044 1.00 0.00 H new ATOM 0 HA ASP A 3 113.229 8.733 -9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 3 115.681 9.551 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.511 9.399 -11.370 1.00 0.00 H new ATOM 45 N SER A 4 111.939 7.758 -11.461 1.00 0.00 N ATOM 46 CA SER A 4 111.133 7.529 -12.695 1.00 0.00 C ATOM 47 C SER A 4 109.891 6.703 -12.345 1.00 0.00 C ATOM 48 O SER A 4 109.475 6.645 -11.204 1.00 0.00 O ATOM 49 CB SER A 4 111.982 6.785 -13.732 1.00 0.00 C ATOM 50 OG SER A 4 113.124 6.234 -13.095 1.00 0.00 O ATOM 0 H SER A 4 111.473 7.515 -10.587 1.00 0.00 H new ATOM 0 HA SER A 4 110.821 8.487 -13.112 1.00 0.00 H new ATOM 0 HB2 SER A 4 111.395 5.994 -14.200 1.00 0.00 H new ATOM 0 HB3 SER A 4 112.288 7.467 -14.526 1.00 0.00 H new ATOM 0 HG SER A 4 112.863 5.439 -12.586 1.00 0.00 H new ATOM 56 N THR A 5 109.292 6.065 -13.317 1.00 0.00 N ATOM 57 CA THR A 5 108.080 5.251 -13.035 1.00 0.00 C ATOM 58 C THR A 5 108.486 3.795 -12.802 1.00 0.00 C ATOM 59 O THR A 5 109.415 3.295 -13.404 1.00 0.00 O ATOM 60 CB THR A 5 107.120 5.331 -14.225 1.00 0.00 C ATOM 61 OG1 THR A 5 106.760 6.686 -14.449 1.00 0.00 O ATOM 62 CG2 THR A 5 105.864 4.509 -13.928 1.00 0.00 C ATOM 0 H THR A 5 109.592 6.075 -14.292 1.00 0.00 H new ATOM 0 HA THR A 5 107.584 5.636 -12.144 1.00 0.00 H new ATOM 0 HB THR A 5 107.609 4.932 -15.114 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.147 6.740 -15.212 1.00 0.00 H new ATOM 0 HG21 THR A 5 105.182 4.567 -14.776 1.00 0.00 H new ATOM 0 HG22 THR A 5 106.142 3.469 -13.757 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.372 4.904 -13.039 1.00 0.00 H new ATOM 70 N TRP A 6 107.799 3.113 -11.927 1.00 0.00 N ATOM 71 CA TRP A 6 108.148 1.693 -11.650 1.00 0.00 C ATOM 72 C TRP A 6 106.894 0.942 -11.200 1.00 0.00 C ATOM 73 O TRP A 6 105.881 1.538 -10.893 1.00 0.00 O ATOM 74 CB TRP A 6 109.192 1.643 -10.539 1.00 0.00 C ATOM 75 CG TRP A 6 110.293 2.613 -10.834 1.00 0.00 C ATOM 76 CD1 TRP A 6 110.230 3.948 -10.628 1.00 0.00 C ATOM 77 CD2 TRP A 6 111.618 2.347 -11.375 1.00 0.00 C ATOM 78 NE1 TRP A 6 111.436 4.515 -11.002 1.00 0.00 N ATOM 79 CE2 TRP A 6 112.323 3.567 -11.472 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.269 1.172 -11.785 1.00 0.00 C ATOM 81 CZ2 TRP A 6 113.630 3.619 -11.960 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.582 1.218 -12.274 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.262 2.440 -12.362 1.00 0.00 C ATOM 0 H TRP A 6 107.011 3.479 -11.392 1.00 0.00 H new ATOM 0 HA TRP A 6 108.547 1.229 -12.552 1.00 0.00 H new ATOM 0 HB2 TRP A 6 108.730 1.884 -9.582 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.597 0.635 -10.453 1.00 0.00 H new ATOM 0 HD1 TRP A 6 109.378 4.484 -10.236 1.00 0.00 H new ATOM 0 HE1 TRP A 6 111.644 5.512 -10.938 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.754 0.225 -11.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.149 4.564 -12.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.072 0.307 -12.584 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.273 2.470 -12.740 1.00 0.00 H new ATOM 94 N LYS A 7 106.950 -0.362 -11.152 1.00 0.00 N ATOM 95 CA LYS A 7 105.759 -1.139 -10.712 1.00 0.00 C ATOM 96 C LYS A 7 106.210 -2.479 -10.134 1.00 0.00 C ATOM 97 O LYS A 7 107.029 -3.167 -10.712 1.00 0.00 O ATOM 98 CB LYS A 7 104.829 -1.375 -11.905 1.00 0.00 C ATOM 99 CG LYS A 7 105.276 -2.618 -12.676 1.00 0.00 C ATOM 100 CD LYS A 7 104.571 -2.658 -14.031 1.00 0.00 C ATOM 101 CE LYS A 7 103.091 -2.988 -13.828 1.00 0.00 C ATOM 102 NZ LYS A 7 102.480 -3.355 -15.136 1.00 0.00 N ATOM 0 H LYS A 7 107.767 -0.920 -11.398 1.00 0.00 H new ATOM 0 HA LYS A 7 105.222 -0.579 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 7 103.803 -1.501 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 7 104.839 -0.506 -12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.357 -2.603 -12.817 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.042 -3.517 -12.105 1.00 0.00 H new ATOM 0 HD2 LYS A 7 104.674 -1.697 -14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.036 -3.406 -14.673 1.00 0.00 H new ATOM 0 HE2 LYS A 7 102.985 -3.811 -13.121 1.00 0.00 H new ATOM 0 HE3 LYS A 7 102.572 -2.131 -13.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 101.474 -3.579 -14.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 102.570 -2.557 -15.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 102.969 -4.185 -15.527 1.00 0.00 H new ATOM 116 N VAL A 8 105.687 -2.858 -9.005 1.00 0.00 N ATOM 117 CA VAL A 8 106.090 -4.155 -8.405 1.00 0.00 C ATOM 118 C VAL A 8 106.176 -5.215 -9.501 1.00 0.00 C ATOM 119 O VAL A 8 105.178 -5.692 -10.003 1.00 0.00 O ATOM 120 CB VAL A 8 105.064 -4.571 -7.348 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.677 -4.080 -7.763 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.050 -6.096 -7.212 1.00 0.00 C ATOM 0 H VAL A 8 104.999 -2.326 -8.472 1.00 0.00 H new ATOM 0 HA VAL A 8 107.066 -4.053 -7.930 1.00 0.00 H new ATOM 0 HB VAL A 8 105.334 -4.128 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 8 102.946 -4.376 -7.011 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.687 -2.994 -7.852 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.408 -4.520 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.318 -6.387 -6.459 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.783 -6.544 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.038 -6.444 -6.911 1.00 0.00 H new ATOM 132 N ASP A 9 107.370 -5.593 -9.862 1.00 0.00 N ATOM 133 CA ASP A 9 107.538 -6.631 -10.912 1.00 0.00 C ATOM 134 C ASP A 9 107.785 -7.969 -10.223 1.00 0.00 C ATOM 135 O ASP A 9 107.467 -9.019 -10.746 1.00 0.00 O ATOM 136 CB ASP A 9 108.736 -6.278 -11.797 1.00 0.00 C ATOM 137 CG ASP A 9 108.662 -7.078 -13.098 1.00 0.00 C ATOM 138 OD1 ASP A 9 108.202 -8.207 -13.051 1.00 0.00 O ATOM 139 OD2 ASP A 9 109.068 -6.548 -14.120 1.00 0.00 O ATOM 0 H ASP A 9 108.238 -5.226 -9.473 1.00 0.00 H new ATOM 0 HA ASP A 9 106.645 -6.687 -11.535 1.00 0.00 H new ATOM 0 HB2 ASP A 9 108.739 -5.210 -12.014 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.666 -6.500 -11.274 1.00 0.00 H new ATOM 144 N ARG A 10 108.348 -7.936 -9.045 1.00 0.00 N ATOM 145 CA ARG A 10 108.610 -9.210 -8.315 1.00 0.00 C ATOM 146 C ARG A 10 108.369 -9.011 -6.815 1.00 0.00 C ATOM 147 O ARG A 10 108.194 -7.905 -6.345 1.00 0.00 O ATOM 148 CB ARG A 10 110.056 -9.648 -8.553 1.00 0.00 C ATOM 149 CG ARG A 10 110.180 -10.268 -9.945 1.00 0.00 C ATOM 150 CD ARG A 10 109.437 -11.608 -9.985 1.00 0.00 C ATOM 151 NE ARG A 10 110.138 -12.533 -10.920 1.00 0.00 N ATOM 152 CZ ARG A 10 109.522 -13.591 -11.373 1.00 0.00 C ATOM 153 NH1 ARG A 10 110.134 -14.402 -12.192 1.00 0.00 N ATOM 154 NH2 ARG A 10 108.294 -13.837 -11.008 1.00 0.00 N ATOM 0 H ARG A 10 108.636 -7.087 -8.559 1.00 0.00 H new ATOM 0 HA ARG A 10 107.933 -9.981 -8.684 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.725 -8.792 -8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.358 -10.370 -7.794 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.768 -9.591 -10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.231 -10.417 -10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 10 109.396 -12.044 -8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 10 108.407 -11.456 -10.309 1.00 0.00 H new ATOM 0 HE ARG A 10 111.098 -12.340 -11.206 1.00 0.00 H new ATOM 0 HH11 ARG A 10 111.094 -14.209 -12.478 1.00 0.00 H new ATOM 0 HH12 ARG A 10 109.653 -15.229 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 10 107.815 -13.203 -10.369 1.00 0.00 H new ATOM 0 HH22 ARG A 10 107.813 -14.664 -11.362 1.00 0.00 H new ATOM 168 N SER A 11 108.353 -10.080 -6.063 1.00 0.00 N ATOM 169 CA SER A 11 108.118 -9.961 -4.594 1.00 0.00 C ATOM 170 C SER A 11 108.337 -11.324 -3.931 1.00 0.00 C ATOM 171 O SER A 11 108.621 -12.304 -4.590 1.00 0.00 O ATOM 172 CB SER A 11 106.681 -9.499 -4.345 1.00 0.00 C ATOM 173 OG SER A 11 106.391 -9.593 -2.956 1.00 0.00 O ATOM 0 H SER A 11 108.493 -11.031 -6.403 1.00 0.00 H new ATOM 0 HA SER A 11 108.813 -9.235 -4.171 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.553 -8.472 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.985 -10.114 -4.916 1.00 0.00 H new ATOM 0 HG SER A 11 106.930 -8.939 -2.464 1.00 0.00 H new ATOM 179 N GLU A 12 108.209 -11.397 -2.632 1.00 0.00 N ATOM 180 CA GLU A 12 108.412 -12.700 -1.940 1.00 0.00 C ATOM 181 C GLU A 12 107.618 -12.721 -0.629 1.00 0.00 C ATOM 182 O GLU A 12 107.334 -11.692 -0.047 1.00 0.00 O ATOM 183 CB GLU A 12 109.906 -12.900 -1.651 1.00 0.00 C ATOM 184 CG GLU A 12 110.234 -12.439 -0.227 1.00 0.00 C ATOM 185 CD GLU A 12 111.746 -12.249 -0.087 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.435 -12.385 -1.085 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.190 -11.970 1.014 1.00 0.00 O ATOM 0 H GLU A 12 107.973 -10.613 -2.024 1.00 0.00 H new ATOM 0 HA GLU A 12 108.059 -13.508 -2.580 1.00 0.00 H new ATOM 0 HB2 GLU A 12 110.170 -13.951 -1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.502 -12.337 -2.370 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.718 -11.504 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.881 -13.175 0.495 1.00 0.00 H new ATOM 194 N ASN A 13 107.264 -13.889 -0.162 1.00 0.00 N ATOM 195 CA ASN A 13 106.492 -13.989 1.110 1.00 0.00 C ATOM 196 C ASN A 13 105.208 -13.163 0.998 1.00 0.00 C ATOM 197 O ASN A 13 104.294 -13.513 0.278 1.00 0.00 O ATOM 198 CB ASN A 13 107.342 -13.460 2.269 1.00 0.00 C ATOM 199 CG ASN A 13 108.257 -14.574 2.782 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.578 -15.495 2.057 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.694 -14.527 4.010 1.00 0.00 N ATOM 0 H ASN A 13 107.477 -14.781 -0.609 1.00 0.00 H new ATOM 0 HA ASN A 13 106.236 -15.032 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.938 -12.609 1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.698 -13.105 3.073 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.305 -15.263 4.362 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.424 -13.754 4.618 1.00 0.00 H new ATOM 208 N TYR A 14 105.133 -12.070 1.706 1.00 0.00 N ATOM 209 CA TYR A 14 103.914 -11.219 1.644 1.00 0.00 C ATOM 210 C TYR A 14 102.792 -11.868 2.447 1.00 0.00 C ATOM 211 O TYR A 14 102.220 -11.258 3.329 1.00 0.00 O ATOM 212 CB TYR A 14 103.484 -11.048 0.182 1.00 0.00 C ATOM 213 CG TYR A 14 103.002 -9.634 -0.055 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.677 -8.552 0.525 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.882 -9.407 -0.862 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.229 -7.245 0.299 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.434 -8.100 -1.089 1.00 0.00 C ATOM 218 CZ TYR A 14 102.108 -7.019 -0.507 1.00 0.00 C ATOM 219 OH TYR A 14 101.666 -5.731 -0.731 1.00 0.00 O ATOM 0 H TYR A 14 105.867 -11.729 2.327 1.00 0.00 H new ATOM 0 HA TYR A 14 104.132 -10.239 2.070 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.321 -11.271 -0.480 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.691 -11.756 -0.057 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.543 -8.726 1.146 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.362 -10.241 -1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.749 -6.411 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.569 -7.926 -1.712 1.00 0.00 H new ATOM 0 HH TYR A 14 100.878 -5.752 -1.313 1.00 0.00 H new ATOM 229 N ASP A 15 102.470 -13.094 2.164 1.00 0.00 N ATOM 230 CA ASP A 15 101.387 -13.754 2.935 1.00 0.00 C ATOM 231 C ASP A 15 101.758 -13.728 4.412 1.00 0.00 C ATOM 232 O ASP A 15 101.052 -13.176 5.232 1.00 0.00 O ATOM 233 CB ASP A 15 101.221 -15.201 2.464 1.00 0.00 C ATOM 234 CG ASP A 15 100.451 -15.224 1.143 1.00 0.00 C ATOM 235 OD1 ASP A 15 100.761 -14.414 0.286 1.00 0.00 O ATOM 236 OD2 ASP A 15 99.564 -16.051 1.011 1.00 0.00 O ATOM 0 H ASP A 15 102.905 -13.664 1.439 1.00 0.00 H new ATOM 0 HA ASP A 15 100.445 -13.227 2.780 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.198 -15.667 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.688 -15.781 3.218 1.00 0.00 H new ATOM 241 N LYS A 16 102.871 -14.307 4.757 1.00 0.00 N ATOM 242 CA LYS A 16 103.294 -14.302 6.181 1.00 0.00 C ATOM 243 C LYS A 16 103.274 -12.866 6.698 1.00 0.00 C ATOM 244 O LYS A 16 102.938 -12.612 7.837 1.00 0.00 O ATOM 245 CB LYS A 16 104.707 -14.876 6.302 1.00 0.00 C ATOM 246 CG LYS A 16 104.731 -16.299 5.739 1.00 0.00 C ATOM 247 CD LYS A 16 103.889 -17.216 6.627 1.00 0.00 C ATOM 248 CE LYS A 16 104.365 -18.661 6.466 1.00 0.00 C ATOM 249 NZ LYS A 16 104.975 -18.834 5.118 1.00 0.00 N ATOM 0 H LYS A 16 103.505 -14.783 4.115 1.00 0.00 H new ATOM 0 HA LYS A 16 102.612 -14.915 6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.414 -14.247 5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.020 -14.881 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.342 -16.305 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 16 105.757 -16.665 5.690 1.00 0.00 H new ATOM 0 HD2 LYS A 16 103.973 -16.908 7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 16 102.836 -17.136 6.355 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.093 -18.904 7.240 1.00 0.00 H new ATOM 0 HE3 LYS A 16 103.527 -19.347 6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 105.004 -19.845 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 104.405 -18.326 4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 105.942 -18.451 5.123 1.00 0.00 H new ATOM 263 N PHE A 17 103.619 -11.921 5.867 1.00 0.00 N ATOM 264 CA PHE A 17 103.602 -10.507 6.313 1.00 0.00 C ATOM 265 C PHE A 17 102.158 -10.082 6.537 1.00 0.00 C ATOM 266 O PHE A 17 101.756 -9.732 7.630 1.00 0.00 O ATOM 267 CB PHE A 17 104.230 -9.647 5.225 1.00 0.00 C ATOM 268 CG PHE A 17 103.992 -8.190 5.517 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.949 -7.474 6.230 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.828 -7.555 5.070 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.752 -6.118 6.503 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.625 -6.197 5.342 1.00 0.00 C ATOM 273 CZ PHE A 17 103.589 -5.477 6.060 1.00 0.00 C ATOM 0 H PHE A 17 103.911 -12.070 4.901 1.00 0.00 H new ATOM 0 HA PHE A 17 104.163 -10.390 7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.300 -9.844 5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.805 -9.906 4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.846 -7.968 6.573 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.087 -8.112 4.516 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.497 -5.565 7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.727 -5.705 4.999 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.435 -4.429 6.271 1.00 0.00 H new ATOM 283 N MET A 18 101.376 -10.121 5.503 1.00 0.00 N ATOM 284 CA MET A 18 99.945 -9.731 5.632 1.00 0.00 C ATOM 285 C MET A 18 99.317 -10.462 6.825 1.00 0.00 C ATOM 286 O MET A 18 98.458 -9.934 7.501 1.00 0.00 O ATOM 287 CB MET A 18 99.194 -10.112 4.353 1.00 0.00 C ATOM 288 CG MET A 18 99.408 -9.033 3.289 1.00 0.00 C ATOM 289 SD MET A 18 98.637 -7.487 3.831 1.00 0.00 S ATOM 290 CE MET A 18 99.734 -6.359 2.935 1.00 0.00 C ATOM 0 H MET A 18 101.664 -10.407 4.567 1.00 0.00 H new ATOM 0 HA MET A 18 99.878 -8.654 5.789 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.548 -11.075 3.985 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.130 -10.223 4.564 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.474 -8.880 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 18 98.978 -9.353 2.340 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.890 -5.457 3.527 1.00 0.00 H new ATOM 0 HE2 MET A 18 100.692 -6.847 2.758 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.281 -6.093 1.980 1.00 0.00 H new ATOM 300 N GLU A 19 99.736 -11.672 7.093 1.00 0.00 N ATOM 301 CA GLU A 19 99.150 -12.416 8.245 1.00 0.00 C ATOM 302 C GLU A 19 99.594 -11.763 9.550 1.00 0.00 C ATOM 303 O GLU A 19 98.845 -11.677 10.503 1.00 0.00 O ATOM 304 CB GLU A 19 99.629 -13.869 8.220 1.00 0.00 C ATOM 305 CG GLU A 19 98.973 -14.611 7.052 1.00 0.00 C ATOM 306 CD GLU A 19 98.716 -16.067 7.448 1.00 0.00 C ATOM 307 OE1 GLU A 19 99.288 -16.941 6.818 1.00 0.00 O ATOM 308 OE2 GLU A 19 97.950 -16.283 8.373 1.00 0.00 O ATOM 0 H GLU A 19 100.453 -12.173 6.568 1.00 0.00 H new ATOM 0 HA GLU A 19 98.063 -12.391 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 19 100.714 -13.902 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 19 99.380 -14.360 9.161 1.00 0.00 H new ATOM 0 HG2 GLU A 19 98.035 -14.126 6.781 1.00 0.00 H new ATOM 0 HG3 GLU A 19 99.618 -14.571 6.174 1.00 0.00 H new ATOM 315 N LYS A 20 100.812 -11.306 9.602 1.00 0.00 N ATOM 316 CA LYS A 20 101.311 -10.664 10.850 1.00 0.00 C ATOM 317 C LYS A 20 100.490 -9.407 11.145 1.00 0.00 C ATOM 318 O LYS A 20 100.109 -9.157 12.272 1.00 0.00 O ATOM 319 CB LYS A 20 102.791 -10.294 10.680 1.00 0.00 C ATOM 320 CG LYS A 20 103.591 -10.793 11.887 1.00 0.00 C ATOM 321 CD LYS A 20 103.870 -12.289 11.732 1.00 0.00 C ATOM 322 CE LYS A 20 104.516 -12.823 13.012 1.00 0.00 C ATOM 323 NZ LYS A 20 104.798 -14.278 12.857 1.00 0.00 N ATOM 0 H LYS A 20 101.484 -11.349 8.836 1.00 0.00 H new ATOM 0 HA LYS A 20 101.209 -11.360 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 20 103.183 -10.736 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.897 -9.213 10.583 1.00 0.00 H new ATOM 0 HG2 LYS A 20 104.529 -10.244 11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 20 103.035 -10.609 12.806 1.00 0.00 H new ATOM 0 HD2 LYS A 20 102.942 -12.824 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 20 104.529 -12.461 10.881 1.00 0.00 H new ATOM 0 HE2 LYS A 20 105.440 -12.283 13.218 1.00 0.00 H new ATOM 0 HE3 LYS A 20 103.854 -12.659 13.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 105.237 -14.641 13.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 103.909 -14.787 12.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 105.445 -14.423 12.056 1.00 0.00 H new ATOM 337 N MET A 21 100.212 -8.617 10.148 1.00 0.00 N ATOM 338 CA MET A 21 99.412 -7.383 10.385 1.00 0.00 C ATOM 339 C MET A 21 97.969 -7.773 10.707 1.00 0.00 C ATOM 340 O MET A 21 97.139 -6.935 10.999 1.00 0.00 O ATOM 341 CB MET A 21 99.441 -6.499 9.135 1.00 0.00 C ATOM 342 CG MET A 21 100.790 -6.648 8.430 1.00 0.00 C ATOM 343 SD MET A 21 101.242 -5.075 7.657 1.00 0.00 S ATOM 344 CE MET A 21 99.752 -4.879 6.649 1.00 0.00 C ATOM 0 H MET A 21 100.502 -8.770 9.182 1.00 0.00 H new ATOM 0 HA MET A 21 99.836 -6.829 11.222 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.634 -6.781 8.459 1.00 0.00 H new ATOM 0 HB3 MET A 21 99.277 -5.457 9.411 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.556 -6.947 9.146 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.734 -7.433 7.676 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.952 -4.181 5.836 1.00 0.00 H new ATOM 0 HE2 MET A 21 99.463 -5.845 6.235 1.00 0.00 H new ATOM 0 HE3 MET A 21 98.942 -4.493 7.268 1.00 0.00 H new ATOM 354 N GLY A 22 97.665 -9.043 10.661 1.00 0.00 N ATOM 355 CA GLY A 22 96.276 -9.489 10.970 1.00 0.00 C ATOM 356 C GLY A 22 95.338 -9.105 9.822 1.00 0.00 C ATOM 357 O GLY A 22 94.175 -8.820 10.031 1.00 0.00 O ATOM 0 H GLY A 22 98.318 -9.790 10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 22 96.257 -10.568 11.122 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.935 -9.030 11.898 1.00 0.00 H new ATOM 361 N VAL A 23 95.828 -9.099 8.613 1.00 0.00 N ATOM 362 CA VAL A 23 94.954 -8.737 7.460 1.00 0.00 C ATOM 363 C VAL A 23 93.998 -9.895 7.164 1.00 0.00 C ATOM 364 O VAL A 23 94.381 -11.047 7.182 1.00 0.00 O ATOM 365 CB VAL A 23 95.820 -8.460 6.227 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.938 -7.927 5.094 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.893 -7.420 6.573 1.00 0.00 C ATOM 0 H VAL A 23 96.793 -9.328 8.373 1.00 0.00 H new ATOM 0 HA VAL A 23 94.379 -7.844 7.706 1.00 0.00 H new ATOM 0 HB VAL A 23 96.303 -9.384 5.909 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.553 -7.730 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.178 -8.668 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.454 -7.004 5.413 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.507 -7.225 5.694 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.413 -6.495 6.893 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.522 -7.800 7.378 1.00 0.00 H new ATOM 377 N ASN A 24 92.757 -9.597 6.889 1.00 0.00 N ATOM 378 CA ASN A 24 91.780 -10.681 6.591 1.00 0.00 C ATOM 379 C ASN A 24 92.409 -11.676 5.614 1.00 0.00 C ATOM 380 O ASN A 24 93.485 -11.454 5.095 1.00 0.00 O ATOM 381 CB ASN A 24 90.522 -10.078 5.964 1.00 0.00 C ATOM 382 CG ASN A 24 89.887 -9.089 6.944 1.00 0.00 C ATOM 383 OD1 ASN A 24 90.384 -8.893 8.035 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.801 -8.453 6.598 1.00 0.00 N ATOM 0 H ASN A 24 92.378 -8.650 6.858 1.00 0.00 H new ATOM 0 HA ASN A 24 91.514 -11.194 7.515 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.774 -9.572 5.032 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.812 -10.867 5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.370 -7.791 7.244 1.00 0.00 H new ATOM 0 HD22 ASN A 24 88.384 -8.617 5.682 1.00 0.00 H new ATOM 391 N ILE A 25 91.750 -12.774 5.359 1.00 0.00 N ATOM 392 CA ILE A 25 92.318 -13.777 4.417 1.00 0.00 C ATOM 393 C ILE A 25 91.975 -13.376 2.989 1.00 0.00 C ATOM 394 O ILE A 25 92.370 -14.006 2.028 1.00 0.00 O ATOM 395 CB ILE A 25 91.736 -15.158 4.734 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.577 -15.826 5.829 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.743 -16.028 3.474 1.00 0.00 C ATOM 398 CD1 ILE A 25 93.826 -16.465 5.216 1.00 0.00 C ATOM 0 H ILE A 25 90.845 -13.018 5.762 1.00 0.00 H new ATOM 0 HA ILE A 25 93.402 -13.816 4.525 1.00 0.00 H new ATOM 0 HB ILE A 25 90.709 -15.046 5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 25 92.866 -15.088 6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 25 91.985 -16.584 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.328 -17.009 3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 25 91.140 -15.553 2.700 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.766 -16.143 3.117 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.416 -16.937 6.002 1.00 0.00 H new ATOM 0 HD12 ILE A 25 93.529 -17.217 4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.424 -15.697 4.724 1.00 0.00 H new ATOM 410 N VAL A 26 91.252 -12.320 2.859 1.00 0.00 N ATOM 411 CA VAL A 26 90.863 -11.832 1.507 1.00 0.00 C ATOM 412 C VAL A 26 92.019 -11.034 0.914 1.00 0.00 C ATOM 413 O VAL A 26 92.560 -11.375 -0.120 1.00 0.00 O ATOM 414 CB VAL A 26 89.626 -10.939 1.618 1.00 0.00 C ATOM 415 CG1 VAL A 26 89.000 -10.759 0.233 1.00 0.00 C ATOM 416 CG2 VAL A 26 88.608 -11.596 2.554 1.00 0.00 C ATOM 0 H VAL A 26 90.903 -11.758 3.636 1.00 0.00 H new ATOM 0 HA VAL A 26 90.634 -12.681 0.863 1.00 0.00 H new ATOM 0 HB VAL A 26 89.914 -9.966 2.016 1.00 0.00 H new ATOM 0 HG11 VAL A 26 88.119 -10.123 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 26 89.724 -10.294 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 26 88.711 -11.732 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 26 87.725 -10.961 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 26 88.320 -12.568 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 26 89.052 -11.727 3.541 1.00 0.00 H new ATOM 426 N LYS A 27 92.413 -9.981 1.568 1.00 0.00 N ATOM 427 CA LYS A 27 93.547 -9.170 1.051 1.00 0.00 C ATOM 428 C LYS A 27 94.815 -10.019 1.111 1.00 0.00 C ATOM 429 O LYS A 27 95.788 -9.757 0.433 1.00 0.00 O ATOM 430 CB LYS A 27 93.723 -7.919 1.915 1.00 0.00 C ATOM 431 CG LYS A 27 92.824 -6.800 1.385 1.00 0.00 C ATOM 432 CD LYS A 27 91.360 -7.234 1.475 1.00 0.00 C ATOM 433 CE LYS A 27 90.456 -6.073 1.057 1.00 0.00 C ATOM 434 NZ LYS A 27 90.782 -4.870 1.876 1.00 0.00 N ATOM 0 H LYS A 27 91.999 -9.646 2.438 1.00 0.00 H new ATOM 0 HA LYS A 27 93.350 -8.863 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 93.471 -8.142 2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 27 94.765 -7.599 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.980 -5.889 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 27 93.083 -6.570 0.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.185 -8.095 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 27 91.124 -7.544 2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 27 90.594 -5.854 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.409 -6.346 1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 89.964 -4.228 1.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 91.010 -5.163 2.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 91.599 -4.379 1.461 1.00 0.00 H new ATOM 448 N ARG A 28 94.803 -11.045 1.920 1.00 0.00 N ATOM 449 CA ARG A 28 95.997 -11.925 2.031 1.00 0.00 C ATOM 450 C ARG A 28 96.075 -12.822 0.795 1.00 0.00 C ATOM 451 O ARG A 28 97.124 -12.995 0.207 1.00 0.00 O ATOM 452 CB ARG A 28 95.874 -12.794 3.287 1.00 0.00 C ATOM 453 CG ARG A 28 97.252 -13.328 3.692 1.00 0.00 C ATOM 454 CD ARG A 28 97.531 -14.648 2.968 1.00 0.00 C ATOM 455 NE ARG A 28 96.423 -15.607 3.236 1.00 0.00 N ATOM 456 CZ ARG A 28 96.609 -16.886 3.049 1.00 0.00 C ATOM 457 NH1 ARG A 28 95.638 -17.727 3.282 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.764 -17.323 2.629 1.00 0.00 N ATOM 0 H ARG A 28 94.014 -11.310 2.509 1.00 0.00 H new ATOM 0 HA ARG A 28 96.898 -11.316 2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.447 -12.210 4.103 1.00 0.00 H new ATOM 0 HB3 ARG A 28 95.194 -13.625 3.099 1.00 0.00 H new ATOM 0 HG2 ARG A 28 98.022 -12.597 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.291 -13.479 4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 28 97.624 -14.474 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 28 98.479 -15.067 3.306 1.00 0.00 H new ATOM 0 HE ARG A 28 95.520 -15.265 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 28 94.735 -17.385 3.610 1.00 0.00 H new ATOM 0 HH12 ARG A 28 95.783 -18.726 3.136 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.522 -16.666 2.447 1.00 0.00 H new ATOM 0 HH22 ARG A 28 97.909 -18.322 2.483 1.00 0.00 H new ATOM 472 N LYS A 29 94.973 -13.398 0.397 1.00 0.00 N ATOM 473 CA LYS A 29 94.991 -14.284 -0.801 1.00 0.00 C ATOM 474 C LYS A 29 95.202 -13.441 -2.058 1.00 0.00 C ATOM 475 O LYS A 29 95.866 -13.851 -2.990 1.00 0.00 O ATOM 476 CB LYS A 29 93.659 -15.031 -0.904 1.00 0.00 C ATOM 477 CG LYS A 29 93.808 -16.209 -1.869 1.00 0.00 C ATOM 478 CD LYS A 29 92.474 -16.951 -1.978 1.00 0.00 C ATOM 479 CE LYS A 29 92.487 -17.843 -3.220 1.00 0.00 C ATOM 480 NZ LYS A 29 93.445 -18.966 -3.016 1.00 0.00 N ATOM 0 H LYS A 29 94.064 -13.294 0.848 1.00 0.00 H new ATOM 0 HA LYS A 29 95.804 -15.003 -0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 29 93.354 -15.389 0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 29 92.878 -14.357 -1.254 1.00 0.00 H new ATOM 0 HG2 LYS A 29 94.119 -15.852 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 94.585 -16.886 -1.516 1.00 0.00 H new ATOM 0 HD2 LYS A 29 92.307 -17.554 -1.086 1.00 0.00 H new ATOM 0 HD3 LYS A 29 91.652 -16.237 -2.038 1.00 0.00 H new ATOM 0 HE2 LYS A 29 91.487 -18.234 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 29 92.774 -17.261 -4.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 93.392 -19.619 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 94.411 -18.589 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 93.202 -19.476 -2.143 1.00 0.00 H new ATOM 494 N LEU A 30 94.640 -12.265 -2.094 1.00 0.00 N ATOM 495 CA LEU A 30 94.803 -11.395 -3.292 1.00 0.00 C ATOM 496 C LEU A 30 96.079 -10.578 -3.164 1.00 0.00 C ATOM 497 O LEU A 30 96.551 -9.970 -4.104 1.00 0.00 O ATOM 498 CB LEU A 30 93.597 -10.463 -3.431 1.00 0.00 C ATOM 499 CG LEU A 30 92.340 -11.291 -3.707 1.00 0.00 C ATOM 500 CD1 LEU A 30 91.103 -10.503 -3.277 1.00 0.00 C ATOM 501 CD2 LEU A 30 92.250 -11.600 -5.203 1.00 0.00 C ATOM 0 H LEU A 30 94.074 -11.868 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 30 94.868 -12.022 -4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 30 93.468 -9.880 -2.519 1.00 0.00 H new ATOM 0 HB3 LEU A 30 93.764 -9.754 -4.242 1.00 0.00 H new ATOM 0 HG LEU A 30 92.391 -12.223 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 30 90.209 -11.094 -3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 30 91.164 -10.282 -2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 30 91.053 -9.570 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 30 91.355 -12.190 -5.399 1.00 0.00 H new ATOM 0 HD22 LEU A 30 92.201 -10.667 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 30 93.131 -12.163 -5.512 1.00 0.00 H new ATOM 513 N ALA A 31 96.625 -10.564 -2.000 1.00 0.00 N ATOM 514 CA ALA A 31 97.879 -9.793 -1.759 1.00 0.00 C ATOM 515 C ALA A 31 98.996 -10.336 -2.652 1.00 0.00 C ATOM 516 O ALA A 31 99.637 -9.600 -3.375 1.00 0.00 O ATOM 517 CB ALA A 31 98.288 -9.927 -0.290 1.00 0.00 C ATOM 0 H ALA A 31 96.260 -11.057 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 31 97.707 -8.742 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 31 99.204 -9.363 -0.115 1.00 0.00 H new ATOM 0 HB2 ALA A 31 97.494 -9.536 0.346 1.00 0.00 H new ATOM 0 HB3 ALA A 31 98.457 -10.978 -0.054 1.00 0.00 H new ATOM 523 N ALA A 32 99.236 -11.617 -2.607 1.00 0.00 N ATOM 524 CA ALA A 32 100.313 -12.203 -3.453 1.00 0.00 C ATOM 525 C ALA A 32 100.262 -11.578 -4.848 1.00 0.00 C ATOM 526 O ALA A 32 101.272 -11.402 -5.498 1.00 0.00 O ATOM 527 CB ALA A 32 100.113 -13.716 -3.562 1.00 0.00 C ATOM 0 H ALA A 32 98.733 -12.283 -2.021 1.00 0.00 H new ATOM 0 HA ALA A 32 101.283 -11.999 -2.999 1.00 0.00 H new ATOM 0 HB1 ALA A 32 100.902 -14.144 -4.181 1.00 0.00 H new ATOM 0 HB2 ALA A 32 100.151 -14.161 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 32 99.143 -13.923 -4.015 1.00 0.00 H new ATOM 533 N HIS A 33 99.091 -11.238 -5.310 1.00 0.00 N ATOM 534 CA HIS A 33 98.975 -10.620 -6.660 1.00 0.00 C ATOM 535 C HIS A 33 99.460 -9.171 -6.596 1.00 0.00 C ATOM 536 O HIS A 33 98.861 -8.278 -7.162 1.00 0.00 O ATOM 537 CB HIS A 33 97.514 -10.650 -7.113 1.00 0.00 C ATOM 538 CG HIS A 33 97.053 -12.077 -7.223 1.00 0.00 C ATOM 539 ND1 HIS A 33 95.826 -12.499 -6.729 1.00 0.00 N ATOM 540 CD2 HIS A 33 97.641 -13.193 -7.767 1.00 0.00 C ATOM 541 CE1 HIS A 33 95.717 -13.817 -6.984 1.00 0.00 C ATOM 542 NE2 HIS A 33 96.796 -14.285 -7.614 1.00 0.00 N ATOM 0 H HIS A 33 98.210 -11.361 -4.811 1.00 0.00 H new ATOM 0 HA HIS A 33 99.585 -11.178 -7.370 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.890 -10.109 -6.402 1.00 0.00 H new ATOM 0 HB3 HIS A 33 97.410 -10.148 -8.075 1.00 0.00 H new ATOM 0 HD2 HIS A 33 98.611 -13.218 -8.241 1.00 0.00 H new ATOM 0 HE1 HIS A 33 94.863 -14.420 -6.712 1.00 0.00 H new ATOM 0 HE2 HIS A 33 96.965 -15.243 -7.919 1.00 0.00 H new ATOM 550 N ASP A 34 100.542 -8.930 -5.906 1.00 0.00 N ATOM 551 CA ASP A 34 101.067 -7.540 -5.801 1.00 0.00 C ATOM 552 C ASP A 34 101.472 -7.039 -7.188 1.00 0.00 C ATOM 553 O ASP A 34 102.417 -7.519 -7.781 1.00 0.00 O ATOM 554 CB ASP A 34 102.284 -7.527 -4.875 1.00 0.00 C ATOM 555 CG ASP A 34 103.238 -8.657 -5.270 1.00 0.00 C ATOM 556 OD1 ASP A 34 103.304 -9.631 -4.538 1.00 0.00 O ATOM 557 OD2 ASP A 34 103.884 -8.529 -6.296 1.00 0.00 O ATOM 0 H ASP A 34 101.085 -9.637 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 34 100.294 -6.888 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 34 102.794 -6.566 -4.941 1.00 0.00 H new ATOM 0 HB3 ASP A 34 101.967 -7.649 -3.839 1.00 0.00 H new ATOM 562 N ASN A 35 100.763 -6.076 -7.709 1.00 0.00 N ATOM 563 CA ASN A 35 101.102 -5.539 -9.055 1.00 0.00 C ATOM 564 C ASN A 35 100.757 -4.048 -9.105 1.00 0.00 C ATOM 565 O ASN A 35 100.193 -3.566 -10.067 1.00 0.00 O ATOM 566 CB ASN A 35 100.296 -6.284 -10.120 1.00 0.00 C ATOM 567 CG ASN A 35 100.180 -7.760 -9.736 1.00 0.00 C ATOM 568 OD1 ASN A 35 99.101 -8.244 -9.456 1.00 0.00 O ATOM 569 ND2 ASN A 35 101.254 -8.501 -9.712 1.00 0.00 N ATOM 0 H ASN A 35 99.960 -5.637 -7.258 1.00 0.00 H new ATOM 0 HA ASN A 35 102.167 -5.676 -9.245 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.304 -5.843 -10.214 1.00 0.00 H new ATOM 0 HB3 ASN A 35 100.781 -6.187 -11.091 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.188 -9.487 -9.458 1.00 0.00 H new ATOM 0 HD22 ASN A 35 102.159 -8.094 -9.947 1.00 0.00 H new ATOM 576 N LEU A 36 101.073 -3.315 -8.070 1.00 0.00 N ATOM 577 CA LEU A 36 100.741 -1.862 -8.062 1.00 0.00 C ATOM 578 C LEU A 36 101.797 -1.061 -8.828 1.00 0.00 C ATOM 579 O LEU A 36 102.923 -1.496 -9.014 1.00 0.00 O ATOM 580 CB LEU A 36 100.649 -1.357 -6.614 1.00 0.00 C ATOM 581 CG LEU A 36 102.053 -1.172 -6.013 1.00 0.00 C ATOM 582 CD1 LEU A 36 102.060 0.054 -5.096 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.429 -2.413 -5.199 1.00 0.00 C ATOM 0 H LEU A 36 101.545 -3.659 -7.234 1.00 0.00 H new ATOM 0 HA LEU A 36 99.779 -1.723 -8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.109 -0.411 -6.587 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.081 -2.066 -6.012 1.00 0.00 H new ATOM 0 HG LEU A 36 102.774 -1.030 -6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 36 103.055 0.184 -4.671 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.792 0.940 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.338 -0.089 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.424 -2.281 -4.773 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.706 -2.554 -4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.425 -3.289 -5.848 1.00 0.00 H new ATOM 595 N LYS A 37 101.434 0.117 -9.262 1.00 0.00 N ATOM 596 CA LYS A 37 102.386 0.984 -10.011 1.00 0.00 C ATOM 597 C LYS A 37 102.692 2.221 -9.165 1.00 0.00 C ATOM 598 O LYS A 37 101.813 2.795 -8.555 1.00 0.00 O ATOM 599 CB LYS A 37 101.739 1.419 -11.331 1.00 0.00 C ATOM 600 CG LYS A 37 102.683 1.117 -12.498 1.00 0.00 C ATOM 601 CD LYS A 37 102.231 1.897 -13.735 1.00 0.00 C ATOM 602 CE LYS A 37 102.798 1.234 -14.992 1.00 0.00 C ATOM 603 NZ LYS A 37 102.762 2.203 -16.123 1.00 0.00 N ATOM 0 H LYS A 37 100.506 0.519 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 37 103.306 0.438 -10.219 1.00 0.00 H new ATOM 0 HB2 LYS A 37 100.793 0.896 -11.472 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.513 2.485 -11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.704 1.392 -12.234 1.00 0.00 H new ATOM 0 HG3 LYS A 37 102.686 0.048 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 37 101.142 1.923 -13.784 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.572 2.930 -13.671 1.00 0.00 H new ATOM 0 HE2 LYS A 37 103.822 0.906 -14.813 1.00 0.00 H new ATOM 0 HE3 LYS A 37 102.217 0.346 -15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 103.147 1.753 -16.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 101.780 2.495 -16.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 103.334 3.038 -15.883 1.00 0.00 H new ATOM 617 N LEU A 38 103.925 2.640 -9.118 1.00 0.00 N ATOM 618 CA LEU A 38 104.259 3.839 -8.305 1.00 0.00 C ATOM 619 C LEU A 38 105.409 4.612 -8.953 1.00 0.00 C ATOM 620 O LEU A 38 106.310 4.040 -9.534 1.00 0.00 O ATOM 621 CB LEU A 38 104.661 3.402 -6.894 1.00 0.00 C ATOM 622 CG LEU A 38 105.927 2.539 -6.949 1.00 0.00 C ATOM 623 CD1 LEU A 38 106.460 2.316 -5.531 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.599 1.184 -7.589 1.00 0.00 C ATOM 0 H LEU A 38 104.710 2.207 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 38 103.385 4.488 -8.251 1.00 0.00 H new ATOM 0 HB2 LEU A 38 104.836 4.278 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 38 103.848 2.840 -6.434 1.00 0.00 H new ATOM 0 HG LEU A 38 106.684 3.049 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU A 38 107.360 1.702 -5.573 1.00 0.00 H new ATOM 0 HD12 LEU A 38 106.697 3.278 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 38 105.703 1.809 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 38 106.500 0.572 -7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 38 104.840 0.675 -6.995 1.00 0.00 H new ATOM 0 HD23 LEU A 38 105.224 1.341 -8.600 1.00 0.00 H new ATOM 636 N THR A 39 105.385 5.912 -8.847 1.00 0.00 N ATOM 637 CA THR A 39 106.474 6.739 -9.439 1.00 0.00 C ATOM 638 C THR A 39 107.301 7.343 -8.306 1.00 0.00 C ATOM 639 O THR A 39 106.775 7.984 -7.419 1.00 0.00 O ATOM 640 CB THR A 39 105.864 7.861 -10.285 1.00 0.00 C ATOM 641 OG1 THR A 39 104.729 7.363 -10.980 1.00 0.00 O ATOM 642 CG2 THR A 39 106.899 8.368 -11.291 1.00 0.00 C ATOM 0 H THR A 39 104.653 6.440 -8.372 1.00 0.00 H new ATOM 0 HA THR A 39 107.109 6.120 -10.073 1.00 0.00 H new ATOM 0 HB THR A 39 105.562 8.682 -9.635 1.00 0.00 H new ATOM 0 HG1 THR A 39 104.336 8.080 -11.521 1.00 0.00 H new ATOM 0 HG21 THR A 39 106.462 9.166 -11.891 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.769 8.750 -10.757 1.00 0.00 H new ATOM 0 HG23 THR A 39 107.204 7.549 -11.943 1.00 0.00 H new ATOM 650 N ILE A 40 108.588 7.130 -8.314 1.00 0.00 N ATOM 651 CA ILE A 40 109.436 7.682 -7.216 1.00 0.00 C ATOM 652 C ILE A 40 110.336 8.799 -7.745 1.00 0.00 C ATOM 653 O ILE A 40 110.984 8.663 -8.764 1.00 0.00 O ATOM 654 CB ILE A 40 110.306 6.567 -6.637 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.407 5.450 -6.098 1.00 0.00 C ATOM 656 CG2 ILE A 40 111.158 7.127 -5.497 1.00 0.00 C ATOM 657 CD1 ILE A 40 108.915 4.573 -7.252 1.00 0.00 C ATOM 0 H ILE A 40 109.088 6.601 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 40 108.786 8.088 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 40 110.956 6.169 -7.416 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.957 4.844 -5.379 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.557 5.880 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.779 6.333 -5.083 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.795 7.925 -5.877 1.00 0.00 H new ATOM 0 HG23 ILE A 40 110.507 7.523 -4.717 1.00 0.00 H new ATOM 0 HD11 ILE A 40 108.276 3.781 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 40 108.348 5.182 -7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 40 109.770 4.130 -7.763 1.00 0.00 H new ATOM 669 N THR A 41 110.391 9.898 -7.042 1.00 0.00 N ATOM 670 CA THR A 41 111.254 11.027 -7.470 1.00 0.00 C ATOM 671 C THR A 41 112.065 11.494 -6.263 1.00 0.00 C ATOM 672 O THR A 41 111.645 11.348 -5.133 1.00 0.00 O ATOM 673 CB THR A 41 110.385 12.174 -7.980 1.00 0.00 C ATOM 674 OG1 THR A 41 109.240 11.646 -8.635 1.00 0.00 O ATOM 675 CG2 THR A 41 111.188 13.032 -8.960 1.00 0.00 C ATOM 0 H THR A 41 109.868 10.060 -6.181 1.00 0.00 H new ATOM 0 HA THR A 41 111.921 10.708 -8.271 1.00 0.00 H new ATOM 0 HB THR A 41 110.069 12.790 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.681 12.382 -8.961 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.565 13.850 -9.322 1.00 0.00 H new ATOM 0 HG22 THR A 41 112.064 13.439 -8.454 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.508 12.419 -9.803 1.00 0.00 H new ATOM 683 N GLN A 42 113.224 12.045 -6.483 1.00 0.00 N ATOM 684 CA GLN A 42 114.048 12.505 -5.330 1.00 0.00 C ATOM 685 C GLN A 42 114.678 13.862 -5.644 1.00 0.00 C ATOM 686 O GLN A 42 115.111 14.117 -6.750 1.00 0.00 O ATOM 687 CB GLN A 42 115.156 11.484 -5.059 1.00 0.00 C ATOM 688 CG GLN A 42 116.082 11.402 -6.274 1.00 0.00 C ATOM 689 CD GLN A 42 117.125 10.306 -6.047 1.00 0.00 C ATOM 690 OE1 GLN A 42 118.143 10.214 -6.858 1.00 0.00 O flip ATOM 691 NE2 GLN A 42 117.011 9.525 -5.124 1.00 0.00 N flip ATOM 0 H GLN A 42 113.635 12.197 -7.404 1.00 0.00 H new ATOM 0 HA GLN A 42 113.410 12.601 -4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.724 11.773 -4.175 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.721 10.506 -4.853 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.503 11.187 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.575 12.361 -6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 42 116.215 9.597 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 42 117.711 8.797 -4.983 1.00 0.00 H new ATOM 700 N GLU A 43 114.740 14.734 -4.674 1.00 0.00 N ATOM 701 CA GLU A 43 115.351 16.072 -4.911 1.00 0.00 C ATOM 702 C GLU A 43 116.215 16.457 -3.708 1.00 0.00 C ATOM 703 O GLU A 43 115.818 17.238 -2.867 1.00 0.00 O ATOM 704 CB GLU A 43 114.249 17.116 -5.105 1.00 0.00 C ATOM 705 CG GLU A 43 113.693 17.015 -6.526 1.00 0.00 C ATOM 706 CD GLU A 43 112.729 18.176 -6.782 1.00 0.00 C ATOM 707 OE1 GLU A 43 113.160 19.312 -6.681 1.00 0.00 O ATOM 708 OE2 GLU A 43 111.574 17.908 -7.073 1.00 0.00 O ATOM 0 H GLU A 43 114.394 14.577 -3.728 1.00 0.00 H new ATOM 0 HA GLU A 43 115.970 16.033 -5.807 1.00 0.00 H new ATOM 0 HB2 GLU A 43 113.451 16.957 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 43 114.646 18.116 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 43 114.508 17.039 -7.249 1.00 0.00 H new ATOM 0 HG3 GLU A 43 113.177 16.064 -6.659 1.00 0.00 H new ATOM 715 N GLY A 44 117.400 15.917 -3.627 1.00 0.00 N ATOM 716 CA GLY A 44 118.305 16.248 -2.490 1.00 0.00 C ATOM 717 C GLY A 44 117.586 16.041 -1.153 1.00 0.00 C ATOM 718 O GLY A 44 117.752 15.029 -0.500 1.00 0.00 O ATOM 0 H GLY A 44 117.782 15.257 -4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 44 119.195 15.620 -2.532 1.00 0.00 H new ATOM 0 HA3 GLY A 44 118.640 17.282 -2.573 1.00 0.00 H new ATOM 722 N ASN A 45 116.808 17.002 -0.731 1.00 0.00 N ATOM 723 CA ASN A 45 116.095 16.879 0.577 1.00 0.00 C ATOM 724 C ASN A 45 114.582 16.938 0.359 1.00 0.00 C ATOM 725 O ASN A 45 113.840 17.367 1.218 1.00 0.00 O ATOM 726 CB ASN A 45 116.527 18.017 1.509 1.00 0.00 C ATOM 727 CG ASN A 45 117.745 18.732 0.917 1.00 0.00 C ATOM 728 OD1 ASN A 45 117.611 19.750 0.268 1.00 0.00 O ATOM 729 ND2 ASN A 45 118.936 18.238 1.117 1.00 0.00 N ATOM 0 H ASN A 45 116.634 17.871 -1.237 1.00 0.00 H new ATOM 0 HA ASN A 45 116.350 15.922 1.031 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.707 18.723 1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 45 116.769 17.621 2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.754 18.707 0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 45 119.049 17.383 1.662 1.00 0.00 H new ATOM 736 N LYS A 46 114.118 16.503 -0.775 1.00 0.00 N ATOM 737 CA LYS A 46 112.667 16.521 -1.045 1.00 0.00 C ATOM 738 C LYS A 46 112.344 15.330 -1.934 1.00 0.00 C ATOM 739 O LYS A 46 112.717 15.270 -3.088 1.00 0.00 O ATOM 740 CB LYS A 46 112.282 17.820 -1.763 1.00 0.00 C ATOM 741 CG LYS A 46 112.092 18.951 -0.741 1.00 0.00 C ATOM 742 CD LYS A 46 113.190 20.002 -0.922 1.00 0.00 C ATOM 743 CE LYS A 46 112.911 21.197 -0.009 1.00 0.00 C ATOM 744 NZ LYS A 46 111.574 21.770 -0.336 1.00 0.00 N ATOM 0 H LYS A 46 114.693 16.132 -1.532 1.00 0.00 H new ATOM 0 HA LYS A 46 112.109 16.465 -0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 46 113.057 18.093 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 46 111.363 17.673 -2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 46 111.112 19.410 -0.870 1.00 0.00 H new ATOM 0 HG3 LYS A 46 112.124 18.548 0.271 1.00 0.00 H new ATOM 0 HD2 LYS A 46 114.163 19.571 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 46 113.229 20.327 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 46 112.940 20.885 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 46 113.684 21.954 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 111.543 22.767 -0.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 111.410 21.705 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 110.836 21.238 0.167 1.00 0.00 H new ATOM 758 N PHE A 47 111.657 14.382 -1.392 1.00 0.00 N ATOM 759 CA PHE A 47 111.297 13.169 -2.175 1.00 0.00 C ATOM 760 C PHE A 47 109.820 13.227 -2.548 1.00 0.00 C ATOM 761 O PHE A 47 109.067 14.021 -2.017 1.00 0.00 O ATOM 762 CB PHE A 47 111.563 11.920 -1.334 1.00 0.00 C ATOM 763 CG PHE A 47 113.034 11.583 -1.386 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.976 12.475 -0.859 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.457 10.377 -1.960 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.340 12.163 -0.908 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.821 10.065 -2.008 1.00 0.00 C ATOM 768 CZ PHE A 47 115.763 10.957 -1.482 1.00 0.00 C ATOM 0 H PHE A 47 111.322 14.388 -0.429 1.00 0.00 H new ATOM 0 HA PHE A 47 111.900 13.129 -3.082 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.254 12.090 -0.303 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.974 11.083 -1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.650 13.404 -0.415 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.731 9.688 -2.365 1.00 0.00 H new ATOM 0 HE1 PHE A 47 116.066 12.852 -0.503 1.00 0.00 H new ATOM 0 HE2 PHE A 47 115.147 9.136 -2.451 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.815 10.716 -1.519 1.00 0.00 H new ATOM 778 N THR A 48 109.393 12.390 -3.449 1.00 0.00 N ATOM 779 CA THR A 48 107.969 12.397 -3.843 1.00 0.00 C ATOM 780 C THR A 48 107.597 11.006 -4.351 1.00 0.00 C ATOM 781 O THR A 48 107.925 10.626 -5.458 1.00 0.00 O ATOM 782 CB THR A 48 107.763 13.418 -4.963 1.00 0.00 C ATOM 783 OG1 THR A 48 108.321 14.665 -4.576 1.00 0.00 O ATOM 784 CG2 THR A 48 106.267 13.585 -5.248 1.00 0.00 C ATOM 0 H THR A 48 109.974 11.702 -3.928 1.00 0.00 H new ATOM 0 HA THR A 48 107.344 12.662 -2.990 1.00 0.00 H new ATOM 0 HB THR A 48 108.259 13.065 -5.867 1.00 0.00 H new ATOM 0 HG1 THR A 48 108.190 15.319 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 48 106.128 14.314 -6.047 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.846 12.627 -5.553 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.762 13.933 -4.347 1.00 0.00 H new ATOM 792 N VAL A 49 106.917 10.248 -3.549 1.00 0.00 N ATOM 793 CA VAL A 49 106.517 8.878 -3.968 1.00 0.00 C ATOM 794 C VAL A 49 105.044 8.878 -4.382 1.00 0.00 C ATOM 795 O VAL A 49 104.163 9.099 -3.575 1.00 0.00 O ATOM 796 CB VAL A 49 106.719 7.908 -2.802 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.277 6.505 -3.223 1.00 0.00 C ATOM 798 CG2 VAL A 49 108.199 7.881 -2.413 1.00 0.00 C ATOM 0 H VAL A 49 106.617 10.518 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 49 107.131 8.564 -4.813 1.00 0.00 H new ATOM 0 HB VAL A 49 106.124 8.235 -1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.421 5.814 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.223 6.524 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 49 106.872 6.177 -4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.344 7.190 -1.582 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.793 7.553 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.515 8.880 -2.113 1.00 0.00 H new ATOM 808 N LYS A 50 104.770 8.633 -5.635 1.00 0.00 N ATOM 809 CA LYS A 50 103.354 8.618 -6.100 1.00 0.00 C ATOM 810 C LYS A 50 102.916 7.177 -6.362 1.00 0.00 C ATOM 811 O LYS A 50 103.212 6.607 -7.392 1.00 0.00 O ATOM 812 CB LYS A 50 103.235 9.428 -7.392 1.00 0.00 C ATOM 813 CG LYS A 50 101.778 9.434 -7.860 1.00 0.00 C ATOM 814 CD LYS A 50 101.528 10.660 -8.739 1.00 0.00 C ATOM 815 CE LYS A 50 100.322 10.403 -9.645 1.00 0.00 C ATOM 816 NZ LYS A 50 99.775 11.703 -10.124 1.00 0.00 N ATOM 0 H LYS A 50 105.466 8.443 -6.356 1.00 0.00 H new ATOM 0 HA LYS A 50 102.716 9.057 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.579 10.449 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.874 8.998 -8.163 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.561 8.523 -8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.109 9.448 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.348 11.536 -8.116 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.410 10.874 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 50 100.616 9.785 -10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.555 9.852 -9.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 98.955 11.529 -10.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 99.480 12.277 -9.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.508 12.212 -10.659 1.00 0.00 H new ATOM 830 N GLU A 51 102.207 6.581 -5.443 1.00 0.00 N ATOM 831 CA GLU A 51 101.753 5.179 -5.654 1.00 0.00 C ATOM 832 C GLU A 51 100.509 5.183 -6.543 1.00 0.00 C ATOM 833 O GLU A 51 99.784 6.157 -6.604 1.00 0.00 O ATOM 834 CB GLU A 51 101.416 4.541 -4.305 1.00 0.00 C ATOM 835 CG GLU A 51 102.673 4.492 -3.434 1.00 0.00 C ATOM 836 CD GLU A 51 102.288 4.120 -2.002 1.00 0.00 C ATOM 837 OE1 GLU A 51 102.729 4.806 -1.094 1.00 0.00 O ATOM 838 OE2 GLU A 51 101.560 3.156 -1.836 1.00 0.00 O ATOM 0 H GLU A 51 101.924 7.003 -4.559 1.00 0.00 H new ATOM 0 HA GLU A 51 102.546 4.606 -6.135 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.636 5.115 -3.804 1.00 0.00 H new ATOM 0 HB3 GLU A 51 101.025 3.535 -4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.377 3.762 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.175 5.459 -3.447 1.00 0.00 H new ATOM 845 N SER A 52 100.249 4.104 -7.228 1.00 0.00 N ATOM 846 CA SER A 52 99.057 4.051 -8.097 1.00 0.00 C ATOM 847 C SER A 52 98.706 2.601 -8.369 1.00 0.00 C ATOM 848 O SER A 52 99.366 1.903 -9.113 1.00 0.00 O ATOM 849 CB SER A 52 99.352 4.759 -9.411 1.00 0.00 C ATOM 850 OG SER A 52 100.393 4.074 -10.093 1.00 0.00 O ATOM 0 H SER A 52 100.817 3.257 -7.218 1.00 0.00 H new ATOM 0 HA SER A 52 98.220 4.545 -7.603 1.00 0.00 H new ATOM 0 HB2 SER A 52 98.455 4.789 -10.030 1.00 0.00 H new ATOM 0 HB3 SER A 52 99.644 5.792 -9.223 1.00 0.00 H new ATOM 0 HG SER A 52 100.517 3.187 -9.694 1.00 0.00 H new ATOM 856 N SER A 53 97.653 2.162 -7.768 1.00 0.00 N ATOM 857 CA SER A 53 97.190 0.769 -7.957 1.00 0.00 C ATOM 858 C SER A 53 95.793 0.809 -8.569 1.00 0.00 C ATOM 859 O SER A 53 95.362 1.819 -9.090 1.00 0.00 O ATOM 860 CB SER A 53 97.141 0.056 -6.605 1.00 0.00 C ATOM 861 OG SER A 53 98.198 0.534 -5.784 1.00 0.00 O ATOM 0 H SER A 53 97.077 2.720 -7.138 1.00 0.00 H new ATOM 0 HA SER A 53 97.873 0.230 -8.614 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.180 0.234 -6.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 97.232 -1.021 -6.745 1.00 0.00 H new ATOM 0 HG SER A 53 98.169 0.080 -4.916 1.00 0.00 H new ATOM 867 N ALA A 54 95.077 -0.273 -8.508 1.00 0.00 N ATOM 868 CA ALA A 54 93.706 -0.287 -9.083 1.00 0.00 C ATOM 869 C ALA A 54 92.683 -0.121 -7.958 1.00 0.00 C ATOM 870 O ALA A 54 91.497 -0.287 -8.162 1.00 0.00 O ATOM 871 CB ALA A 54 93.466 -1.619 -9.797 1.00 0.00 C ATOM 0 H ALA A 54 95.381 -1.150 -8.085 1.00 0.00 H new ATOM 0 HA ALA A 54 93.601 0.531 -9.796 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.461 -1.630 -10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.197 -1.740 -10.597 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.569 -2.437 -9.085 1.00 0.00 H new ATOM 877 N PHE A 55 93.131 0.175 -6.763 1.00 0.00 N ATOM 878 CA PHE A 55 92.171 0.312 -5.631 1.00 0.00 C ATOM 879 C PHE A 55 92.306 1.667 -4.919 1.00 0.00 C ATOM 880 O PHE A 55 91.452 2.024 -4.135 1.00 0.00 O ATOM 881 CB PHE A 55 92.429 -0.809 -4.622 1.00 0.00 C ATOM 882 CG PHE A 55 92.125 -2.142 -5.263 1.00 0.00 C ATOM 883 CD1 PHE A 55 92.957 -2.639 -6.274 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.011 -2.881 -4.847 1.00 0.00 C ATOM 885 CE1 PHE A 55 92.675 -3.874 -6.867 1.00 0.00 C ATOM 886 CE2 PHE A 55 90.729 -4.117 -5.441 1.00 0.00 C ATOM 887 CZ PHE A 55 91.561 -4.614 -6.452 1.00 0.00 C ATOM 0 H PHE A 55 94.112 0.326 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 55 91.162 0.248 -6.038 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.467 -0.782 -4.289 1.00 0.00 H new ATOM 0 HB3 PHE A 55 91.807 -0.668 -3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.816 -2.069 -6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 55 90.369 -2.498 -4.068 1.00 0.00 H new ATOM 0 HE1 PHE A 55 93.317 -4.257 -7.646 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.870 -4.687 -5.120 1.00 0.00 H new ATOM 0 HZ PHE A 55 91.344 -5.567 -6.911 1.00 0.00 H new ATOM 897 N ARG A 56 93.345 2.435 -5.161 1.00 0.00 N ATOM 898 CA ARG A 56 93.451 3.743 -4.452 1.00 0.00 C ATOM 899 C ARG A 56 94.864 4.300 -4.592 1.00 0.00 C ATOM 900 O ARG A 56 95.710 4.102 -3.743 1.00 0.00 O ATOM 901 CB ARG A 56 93.136 3.557 -2.962 1.00 0.00 C ATOM 902 CG ARG A 56 93.662 2.198 -2.484 1.00 0.00 C ATOM 903 CD ARG A 56 94.271 2.347 -1.088 1.00 0.00 C ATOM 904 NE ARG A 56 93.423 3.258 -0.269 1.00 0.00 N ATOM 905 CZ ARG A 56 92.230 2.882 0.101 1.00 0.00 C ATOM 906 NH1 ARG A 56 91.487 3.680 0.819 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.779 1.707 -0.244 1.00 0.00 N ATOM 0 H ARG A 56 94.106 2.216 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 56 92.738 4.438 -4.895 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.593 4.358 -2.382 1.00 0.00 H new ATOM 0 HB3 ARG A 56 92.060 3.619 -2.798 1.00 0.00 H new ATOM 0 HG2 ARG A 56 92.851 1.470 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 56 94.411 1.821 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 56 94.346 1.372 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 56 95.283 2.744 -1.162 1.00 0.00 H new ATOM 0 HE ARG A 56 93.775 4.176 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 56 91.839 4.598 1.091 1.00 0.00 H new ATOM 0 HH12 ARG A 56 90.554 3.386 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 56 92.359 1.082 -0.803 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.846 1.414 0.046 1.00 0.00 H new ATOM 921 N ASN A 57 95.121 5.005 -5.651 1.00 0.00 N ATOM 922 CA ASN A 57 96.479 5.588 -5.842 1.00 0.00 C ATOM 923 C ASN A 57 96.761 6.586 -4.718 1.00 0.00 C ATOM 924 O ASN A 57 95.872 7.259 -4.234 1.00 0.00 O ATOM 925 CB ASN A 57 96.539 6.310 -7.190 1.00 0.00 C ATOM 926 CG ASN A 57 95.557 7.482 -7.187 1.00 0.00 C ATOM 927 OD1 ASN A 57 95.864 8.544 -6.680 1.00 0.00 O ATOM 928 ND2 ASN A 57 94.382 7.336 -7.734 1.00 0.00 N ATOM 0 H ASN A 57 94.453 5.205 -6.395 1.00 0.00 H new ATOM 0 HA ASN A 57 97.225 4.793 -5.823 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.551 6.670 -7.376 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.293 5.618 -7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 57 93.721 8.113 -7.737 1.00 0.00 H new ATOM 0 HD22 ASN A 57 94.125 6.445 -8.159 1.00 0.00 H new ATOM 935 N ILE A 58 97.991 6.677 -4.284 1.00 0.00 N ATOM 936 CA ILE A 58 98.330 7.616 -3.178 1.00 0.00 C ATOM 937 C ILE A 58 99.546 8.456 -3.550 1.00 0.00 C ATOM 938 O ILE A 58 100.180 8.254 -4.567 1.00 0.00 O ATOM 939 CB ILE A 58 98.653 6.833 -1.914 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.822 5.556 -1.873 1.00 0.00 C ATOM 941 CG2 ILE A 58 98.333 7.690 -0.683 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.781 5.045 -0.437 1.00 0.00 C ATOM 0 H ILE A 58 98.777 6.139 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 58 97.472 8.267 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 58 99.712 6.575 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.812 5.751 -2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 58 98.255 4.802 -2.530 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.565 7.128 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.932 8.601 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 58 97.275 7.951 -0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 58 97.189 4.131 -0.393 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.795 4.838 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 58 97.329 5.801 0.205 1.00 0.00 H new ATOM 954 N GLU A 59 99.870 9.400 -2.716 1.00 0.00 N ATOM 955 CA GLU A 59 101.044 10.275 -2.983 1.00 0.00 C ATOM 956 C GLU A 59 101.629 10.752 -1.651 1.00 0.00 C ATOM 957 O GLU A 59 100.923 11.239 -0.790 1.00 0.00 O ATOM 958 CB GLU A 59 100.597 11.471 -3.839 1.00 0.00 C ATOM 959 CG GLU A 59 101.045 12.789 -3.198 1.00 0.00 C ATOM 960 CD GLU A 59 100.723 13.950 -4.140 1.00 0.00 C ATOM 961 OE1 GLU A 59 99.737 13.853 -4.852 1.00 0.00 O ATOM 962 OE2 GLU A 59 101.469 14.915 -4.134 1.00 0.00 O ATOM 0 H GLU A 59 99.368 9.606 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 59 101.812 9.723 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.018 11.386 -4.841 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.512 11.463 -3.947 1.00 0.00 H new ATOM 0 HG2 GLU A 59 100.540 12.931 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 59 102.115 12.760 -2.992 1.00 0.00 H new ATOM 969 N CYS A 60 102.916 10.616 -1.476 1.00 0.00 N ATOM 970 CA CYS A 60 103.549 11.061 -0.203 1.00 0.00 C ATOM 971 C CYS A 60 104.804 11.877 -0.518 1.00 0.00 C ATOM 972 O CYS A 60 105.798 11.350 -0.978 1.00 0.00 O ATOM 973 CB CYS A 60 103.938 9.835 0.629 1.00 0.00 C ATOM 974 SG CYS A 60 102.517 9.285 1.605 1.00 0.00 S ATOM 0 H CYS A 60 103.556 10.215 -2.161 1.00 0.00 H new ATOM 0 HA CYS A 60 102.844 11.675 0.358 1.00 0.00 H new ATOM 0 HB2 CYS A 60 104.275 9.031 -0.026 1.00 0.00 H new ATOM 0 HB3 CYS A 60 104.771 10.080 1.288 1.00 0.00 H new ATOM 980 N VAL A 61 104.771 13.158 -0.269 1.00 0.00 N ATOM 981 CA VAL A 61 105.958 14.006 -0.546 1.00 0.00 C ATOM 982 C VAL A 61 106.567 14.455 0.778 1.00 0.00 C ATOM 983 O VAL A 61 105.862 14.734 1.727 1.00 0.00 O ATOM 984 CB VAL A 61 105.528 15.238 -1.342 1.00 0.00 C ATOM 985 CG1 VAL A 61 106.622 15.616 -2.340 1.00 0.00 C ATOM 986 CG2 VAL A 61 104.233 14.931 -2.096 1.00 0.00 C ATOM 0 H VAL A 61 103.967 13.653 0.116 1.00 0.00 H new ATOM 0 HA VAL A 61 106.690 13.437 -1.120 1.00 0.00 H new ATOM 0 HB VAL A 61 105.363 16.070 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 61 106.311 16.495 -2.905 1.00 0.00 H new ATOM 0 HG12 VAL A 61 107.544 15.838 -1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 61 106.792 14.786 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 61 103.926 15.809 -2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 61 104.398 14.097 -2.778 1.00 0.00 H new ATOM 0 HG23 VAL A 61 103.451 14.668 -1.384 1.00 0.00 H new ATOM 996 N PHE A 62 107.865 14.533 0.861 1.00 0.00 N ATOM 997 CA PHE A 62 108.475 14.974 2.150 1.00 0.00 C ATOM 998 C PHE A 62 110.002 14.910 2.078 1.00 0.00 C ATOM 999 O PHE A 62 110.576 14.412 1.131 1.00 0.00 O ATOM 1000 CB PHE A 62 107.978 14.064 3.280 1.00 0.00 C ATOM 1001 CG PHE A 62 106.989 14.816 4.142 1.00 0.00 C ATOM 1002 CD1 PHE A 62 105.667 14.367 4.246 1.00 0.00 C ATOM 1003 CD2 PHE A 62 107.397 15.960 4.839 1.00 0.00 C ATOM 1004 CE1 PHE A 62 104.753 15.063 5.044 1.00 0.00 C ATOM 1005 CE2 PHE A 62 106.482 16.656 5.638 1.00 0.00 C ATOM 1006 CZ PHE A 62 105.160 16.207 5.741 1.00 0.00 C ATOM 0 H PHE A 62 108.521 14.316 0.110 1.00 0.00 H new ATOM 0 HA PHE A 62 108.181 16.006 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 62 107.508 13.173 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 62 108.820 13.727 3.885 1.00 0.00 H new ATOM 0 HD1 PHE A 62 105.353 13.483 3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 62 108.417 16.305 4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 62 103.733 14.718 5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 62 106.796 17.539 6.175 1.00 0.00 H new ATOM 0 HZ PHE A 62 104.454 16.743 6.358 1.00 0.00 H new ATOM 1016 N GLU A 63 110.656 15.405 3.096 1.00 0.00 N ATOM 1017 CA GLU A 63 112.144 15.376 3.129 1.00 0.00 C ATOM 1018 C GLU A 63 112.591 14.269 4.085 1.00 0.00 C ATOM 1019 O GLU A 63 111.825 13.802 4.902 1.00 0.00 O ATOM 1020 CB GLU A 63 112.664 16.723 3.635 1.00 0.00 C ATOM 1021 CG GLU A 63 114.182 16.654 3.811 1.00 0.00 C ATOM 1022 CD GLU A 63 114.750 18.071 3.905 1.00 0.00 C ATOM 1023 OE1 GLU A 63 115.763 18.240 4.564 1.00 0.00 O ATOM 1024 OE2 GLU A 63 114.163 18.963 3.314 1.00 0.00 O ATOM 0 H GLU A 63 110.217 15.831 3.912 1.00 0.00 H new ATOM 0 HA GLU A 63 112.537 15.188 2.130 1.00 0.00 H new ATOM 0 HB2 GLU A 63 112.405 17.512 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 63 112.189 16.975 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 63 114.429 16.091 4.711 1.00 0.00 H new ATOM 0 HG3 GLU A 63 114.632 16.125 2.971 1.00 0.00 H new ATOM 1031 N LEU A 64 113.820 13.843 3.999 1.00 0.00 N ATOM 1032 CA LEU A 64 114.287 12.767 4.915 1.00 0.00 C ATOM 1033 C LEU A 64 114.681 13.381 6.262 1.00 0.00 C ATOM 1034 O LEU A 64 115.343 14.398 6.324 1.00 0.00 O ATOM 1035 CB LEU A 64 115.485 12.038 4.295 1.00 0.00 C ATOM 1036 CG LEU A 64 116.756 12.877 4.455 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.480 12.483 5.750 1.00 0.00 C ATOM 1038 CD2 LEU A 64 117.682 12.624 3.261 1.00 0.00 C ATOM 0 H LEU A 64 114.516 14.190 3.339 1.00 0.00 H new ATOM 0 HA LEU A 64 113.483 12.048 5.071 1.00 0.00 H new ATOM 0 HB2 LEU A 64 115.618 11.068 4.775 1.00 0.00 H new ATOM 0 HB3 LEU A 64 115.297 11.848 3.238 1.00 0.00 H new ATOM 0 HG LEU A 64 116.488 13.933 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 64 118.383 13.083 5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 64 116.823 12.659 6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 64 117.748 11.427 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 64 118.588 13.220 3.371 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.945 11.567 3.222 1.00 0.00 H new ATOM 0 HD23 LEU A 64 117.173 12.905 2.339 1.00 0.00 H new ATOM 1050 N GLY A 65 114.272 12.775 7.344 1.00 0.00 N ATOM 1051 CA GLY A 65 114.619 13.325 8.685 1.00 0.00 C ATOM 1052 C GLY A 65 113.412 14.069 9.265 1.00 0.00 C ATOM 1053 O GLY A 65 113.545 14.891 10.149 1.00 0.00 O ATOM 0 H GLY A 65 113.712 11.922 7.357 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.917 12.518 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.470 14.001 8.603 1.00 0.00 H new ATOM 1057 N VAL A 66 112.235 13.785 8.776 1.00 0.00 N ATOM 1058 CA VAL A 66 111.022 14.474 9.299 1.00 0.00 C ATOM 1059 C VAL A 66 109.850 13.491 9.319 1.00 0.00 C ATOM 1060 O VAL A 66 109.298 13.149 8.293 1.00 0.00 O ATOM 1061 CB VAL A 66 110.679 15.662 8.400 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.322 16.237 8.809 1.00 0.00 C ATOM 1063 CG2 VAL A 66 111.754 16.740 8.548 1.00 0.00 C ATOM 0 H VAL A 66 112.062 13.105 8.036 1.00 0.00 H new ATOM 0 HA VAL A 66 111.215 14.832 10.310 1.00 0.00 H new ATOM 0 HB VAL A 66 110.635 15.331 7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.078 17.084 8.168 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.555 15.470 8.704 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.365 16.568 9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.510 17.587 7.907 1.00 0.00 H new ATOM 0 HG22 VAL A 66 111.797 17.070 9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 112.722 16.331 8.257 1.00 0.00 H new ATOM 1073 N THR A 67 109.467 13.030 10.478 1.00 0.00 N ATOM 1074 CA THR A 67 108.336 12.066 10.565 1.00 0.00 C ATOM 1075 C THR A 67 107.141 12.584 9.779 1.00 0.00 C ATOM 1076 O THR A 67 106.852 13.763 9.746 1.00 0.00 O ATOM 1077 CB THR A 67 107.926 11.886 12.024 1.00 0.00 C ATOM 1078 OG1 THR A 67 109.073 11.994 12.856 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.276 10.512 12.218 1.00 0.00 C ATOM 0 H THR A 67 109.891 13.281 11.371 1.00 0.00 H new ATOM 0 HA THR A 67 108.659 11.112 10.148 1.00 0.00 H new ATOM 0 HB THR A 67 107.208 12.661 12.293 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.809 11.880 13.793 1.00 0.00 H new ATOM 0 HG21 THR A 67 106.986 10.391 13.262 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.392 10.435 11.585 1.00 0.00 H new ATOM 0 HG23 THR A 67 107.987 9.732 11.946 1.00 0.00 H new ATOM 1087 N PHE A 68 106.434 11.685 9.174 1.00 0.00 N ATOM 1088 CA PHE A 68 105.222 12.058 8.402 1.00 0.00 C ATOM 1089 C PHE A 68 104.330 10.829 8.322 1.00 0.00 C ATOM 1090 O PHE A 68 104.590 9.835 8.968 1.00 0.00 O ATOM 1091 CB PHE A 68 105.590 12.531 6.991 1.00 0.00 C ATOM 1092 CG PHE A 68 106.862 11.866 6.526 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.930 10.472 6.410 1.00 0.00 C ATOM 1094 CD2 PHE A 68 107.972 12.651 6.195 1.00 0.00 C ATOM 1095 CE1 PHE A 68 108.113 9.866 5.962 1.00 0.00 C ATOM 1096 CE2 PHE A 68 109.151 12.044 5.753 1.00 0.00 C ATOM 1097 CZ PHE A 68 109.220 10.653 5.636 1.00 0.00 C ATOM 0 H PHE A 68 106.646 10.687 9.180 1.00 0.00 H new ATOM 0 HA PHE A 68 104.707 12.881 8.898 1.00 0.00 H new ATOM 0 HB2 PHE A 68 104.779 12.300 6.301 1.00 0.00 H new ATOM 0 HB3 PHE A 68 105.716 13.614 6.985 1.00 0.00 H new ATOM 0 HD1 PHE A 68 106.074 9.865 6.665 1.00 0.00 H new ATOM 0 HD2 PHE A 68 107.918 13.726 6.281 1.00 0.00 H new ATOM 0 HE1 PHE A 68 108.168 8.791 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 68 110.009 12.650 5.502 1.00 0.00 H new ATOM 0 HZ PHE A 68 110.131 10.186 5.293 1.00 0.00 H new ATOM 1107 N ASN A 69 103.281 10.874 7.551 1.00 0.00 N ATOM 1108 CA ASN A 69 102.391 9.689 7.466 1.00 0.00 C ATOM 1109 C ASN A 69 102.185 9.283 6.008 1.00 0.00 C ATOM 1110 O ASN A 69 102.248 10.094 5.106 1.00 0.00 O ATOM 1111 CB ASN A 69 101.039 10.021 8.099 1.00 0.00 C ATOM 1112 CG ASN A 69 100.273 10.987 7.194 1.00 0.00 C ATOM 1113 OD1 ASN A 69 100.867 11.805 6.519 1.00 0.00 O ATOM 1114 ND2 ASN A 69 98.970 10.928 7.149 1.00 0.00 N ATOM 0 H ASN A 69 103.004 11.674 6.981 1.00 0.00 H new ATOM 0 HA ASN A 69 102.855 8.860 8.001 1.00 0.00 H new ATOM 0 HB2 ASN A 69 100.461 9.109 8.246 1.00 0.00 H new ATOM 0 HB3 ASN A 69 101.186 10.467 9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 69 98.451 11.568 6.548 1.00 0.00 H new ATOM 0 HD22 ASN A 69 98.471 10.242 7.715 1.00 0.00 H new ATOM 1121 N CYS A 70 101.928 8.026 5.780 1.00 0.00 N ATOM 1122 CA CYS A 70 101.701 7.539 4.396 1.00 0.00 C ATOM 1123 C CYS A 70 100.825 6.292 4.470 1.00 0.00 C ATOM 1124 O CYS A 70 101.096 5.378 5.224 1.00 0.00 O ATOM 1125 CB CYS A 70 103.039 7.197 3.738 1.00 0.00 C ATOM 1126 SG CYS A 70 102.877 7.324 1.940 1.00 0.00 S ATOM 0 H CYS A 70 101.865 7.309 6.503 1.00 0.00 H new ATOM 0 HA CYS A 70 101.211 8.310 3.801 1.00 0.00 H new ATOM 0 HB2 CYS A 70 103.815 7.875 4.093 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.346 6.189 4.016 1.00 0.00 H new ATOM 1132 N ASN A 71 99.765 6.250 3.716 1.00 0.00 N ATOM 1133 CA ASN A 71 98.870 5.065 3.777 1.00 0.00 C ATOM 1134 C ASN A 71 99.339 3.997 2.790 1.00 0.00 C ATOM 1135 O ASN A 71 99.901 4.293 1.754 1.00 0.00 O ATOM 1136 CB ASN A 71 97.440 5.487 3.434 1.00 0.00 C ATOM 1137 CG ASN A 71 97.181 6.894 3.973 1.00 0.00 C ATOM 1138 OD1 ASN A 71 97.863 7.324 4.999 1.00 0.00 O flip ATOM 1139 ND2 ASN A 71 96.349 7.613 3.454 1.00 0.00 N flip ATOM 0 H ASN A 71 99.481 6.981 3.064 1.00 0.00 H new ATOM 0 HA ASN A 71 98.898 4.651 4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 71 97.293 5.467 2.354 1.00 0.00 H new ATOM 0 HB3 ASN A 71 96.728 4.784 3.866 1.00 0.00 H new ATOM 0 HD21 ASN A 71 95.815 7.279 2.652 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.185 8.551 3.821 1.00 0.00 H new ATOM 1146 N LEU A 72 99.107 2.751 3.106 1.00 0.00 N ATOM 1147 CA LEU A 72 99.531 1.655 2.190 1.00 0.00 C ATOM 1148 C LEU A 72 98.321 1.167 1.390 1.00 0.00 C ATOM 1149 O LEU A 72 97.204 1.165 1.874 1.00 0.00 O ATOM 1150 CB LEU A 72 100.102 0.496 3.010 1.00 0.00 C ATOM 1151 CG LEU A 72 101.477 0.883 3.559 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.934 -0.167 4.574 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.490 0.956 2.410 1.00 0.00 C ATOM 0 H LEU A 72 98.641 2.445 3.961 1.00 0.00 H new ATOM 0 HA LEU A 72 100.295 2.026 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.428 0.251 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.185 -0.396 2.389 1.00 0.00 H new ATOM 0 HG LEU A 72 101.411 1.857 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.913 0.108 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 101.217 -0.218 5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 72 101.998 -1.140 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.468 1.232 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.557 -0.016 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.166 1.704 1.687 1.00 0.00 H new ATOM 1165 N ALA A 73 98.535 0.754 0.170 1.00 0.00 N ATOM 1166 CA ALA A 73 97.403 0.268 -0.670 1.00 0.00 C ATOM 1167 C ALA A 73 96.489 -0.633 0.161 1.00 0.00 C ATOM 1168 O ALA A 73 95.290 -0.660 -0.030 1.00 0.00 O ATOM 1169 CB ALA A 73 97.955 -0.523 -1.859 1.00 0.00 C ATOM 0 H ALA A 73 99.449 0.732 -0.283 1.00 0.00 H new ATOM 0 HA ALA A 73 96.831 1.123 -1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 73 97.129 -0.879 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.601 0.121 -2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.529 -1.375 -1.494 1.00 0.00 H new ATOM 1175 N ASP A 74 97.043 -1.372 1.081 1.00 0.00 N ATOM 1176 CA ASP A 74 96.200 -2.269 1.921 1.00 0.00 C ATOM 1177 C ASP A 74 95.256 -1.425 2.779 1.00 0.00 C ATOM 1178 O ASP A 74 94.663 -1.907 3.724 1.00 0.00 O ATOM 1179 CB ASP A 74 97.100 -3.115 2.825 1.00 0.00 C ATOM 1180 CG ASP A 74 98.439 -3.357 2.129 1.00 0.00 C ATOM 1181 OD1 ASP A 74 98.423 -3.805 0.994 1.00 0.00 O ATOM 1182 OD2 ASP A 74 99.460 -3.090 2.742 1.00 0.00 O ATOM 0 H ASP A 74 98.042 -1.394 1.288 1.00 0.00 H new ATOM 0 HA ASP A 74 95.614 -2.926 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.259 -2.607 3.776 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.617 -4.066 3.049 1.00 0.00 H new ATOM 1187 N GLY A 75 95.113 -0.167 2.460 1.00 0.00 N ATOM 1188 CA GLY A 75 94.207 0.705 3.258 1.00 0.00 C ATOM 1189 C GLY A 75 94.788 0.896 4.660 1.00 0.00 C ATOM 1190 O GLY A 75 94.069 1.096 5.618 1.00 0.00 O ATOM 0 H GLY A 75 95.585 0.293 1.682 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.089 1.671 2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.216 0.256 3.322 1.00 0.00 H new ATOM 1194 N THR A 76 96.086 0.833 4.788 1.00 0.00 N ATOM 1195 CA THR A 76 96.714 1.006 6.121 1.00 0.00 C ATOM 1196 C THR A 76 97.232 2.436 6.257 1.00 0.00 C ATOM 1197 O THR A 76 97.408 3.141 5.286 1.00 0.00 O ATOM 1198 CB THR A 76 97.882 0.036 6.273 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.763 -1.005 5.313 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.884 -0.561 7.682 1.00 0.00 C ATOM 0 H THR A 76 96.738 0.668 4.021 1.00 0.00 H new ATOM 0 HA THR A 76 95.972 0.805 6.894 1.00 0.00 H new ATOM 0 HB THR A 76 98.817 0.573 6.112 1.00 0.00 H new ATOM 0 HG1 THR A 76 97.245 -1.744 5.694 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.721 -1.252 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.984 0.239 8.416 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.949 -1.095 7.852 1.00 0.00 H new ATOM 1208 N GLU A 77 97.481 2.859 7.461 1.00 0.00 N ATOM 1209 CA GLU A 77 97.996 4.234 7.689 1.00 0.00 C ATOM 1210 C GLU A 77 99.188 4.166 8.646 1.00 0.00 C ATOM 1211 O GLU A 77 99.059 3.722 9.770 1.00 0.00 O ATOM 1212 CB GLU A 77 96.893 5.098 8.305 1.00 0.00 C ATOM 1213 CG GLU A 77 97.335 6.560 8.306 1.00 0.00 C ATOM 1214 CD GLU A 77 96.134 7.456 8.617 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.314 8.662 8.655 1.00 0.00 O ATOM 1216 OE2 GLU A 77 95.056 6.921 8.814 1.00 0.00 O ATOM 0 H GLU A 77 97.348 2.304 8.307 1.00 0.00 H new ATOM 0 HA GLU A 77 98.308 4.673 6.742 1.00 0.00 H new ATOM 0 HB2 GLU A 77 95.969 4.986 7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.684 4.769 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.119 6.714 9.048 1.00 0.00 H new ATOM 0 HG3 GLU A 77 97.758 6.824 7.337 1.00 0.00 H new ATOM 1223 N LEU A 78 100.351 4.586 8.216 1.00 0.00 N ATOM 1224 CA LEU A 78 101.538 4.518 9.124 1.00 0.00 C ATOM 1225 C LEU A 78 102.301 5.845 9.109 1.00 0.00 C ATOM 1226 O LEU A 78 102.137 6.661 8.224 1.00 0.00 O ATOM 1227 CB LEU A 78 102.476 3.398 8.667 1.00 0.00 C ATOM 1228 CG LEU A 78 101.662 2.228 8.108 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.493 2.396 6.597 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.397 0.915 8.392 1.00 0.00 C ATOM 0 H LEU A 78 100.530 4.969 7.288 1.00 0.00 H new ATOM 0 HA LEU A 78 101.187 4.318 10.136 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.159 3.773 7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.087 3.060 9.504 1.00 0.00 H new ATOM 0 HG LEU A 78 100.681 2.210 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 78 100.913 1.562 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 78 100.972 3.331 6.391 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.473 2.415 6.121 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.819 0.081 7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.377 0.936 7.916 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.519 0.792 9.468 1.00 0.00 H new ATOM 1242 N ARG A 79 103.142 6.061 10.089 1.00 0.00 N ATOM 1243 CA ARG A 79 103.925 7.330 10.140 1.00 0.00 C ATOM 1244 C ARG A 79 105.327 7.053 10.684 1.00 0.00 C ATOM 1245 O ARG A 79 105.509 6.262 11.588 1.00 0.00 O ATOM 1246 CB ARG A 79 103.213 8.335 11.050 1.00 0.00 C ATOM 1247 CG ARG A 79 103.299 7.864 12.505 1.00 0.00 C ATOM 1248 CD ARG A 79 102.474 8.797 13.395 1.00 0.00 C ATOM 1249 NE ARG A 79 103.342 9.898 13.900 1.00 0.00 N ATOM 1250 CZ ARG A 79 102.803 10.972 14.408 1.00 0.00 C ATOM 1251 NH1 ARG A 79 103.563 11.937 14.849 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.505 11.082 14.474 1.00 0.00 N ATOM 0 H ARG A 79 103.319 5.412 10.856 1.00 0.00 H new ATOM 0 HA ARG A 79 104.005 7.742 9.134 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.670 9.319 10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.170 8.435 10.751 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.929 6.842 12.590 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.338 7.855 12.834 1.00 0.00 H new ATOM 0 HD2 ARG A 79 101.637 9.209 12.831 1.00 0.00 H new ATOM 0 HD3 ARG A 79 102.052 8.240 14.231 1.00 0.00 H new ATOM 0 HE ARG A 79 104.357 9.812 13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 79 104.578 11.851 14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 79 103.142 12.777 15.246 1.00 0.00 H new ATOM 0 HH21 ARG A 79 100.911 10.328 14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.084 11.922 14.871 1.00 0.00 H new ATOM 1266 N GLY A 80 106.326 7.701 10.138 1.00 0.00 N ATOM 1267 CA GLY A 80 107.706 7.481 10.614 1.00 0.00 C ATOM 1268 C GLY A 80 108.642 8.249 9.695 1.00 0.00 C ATOM 1269 O GLY A 80 108.561 9.453 9.591 1.00 0.00 O ATOM 0 H GLY A 80 106.234 8.375 9.378 1.00 0.00 H new ATOM 0 HA2 GLY A 80 107.814 7.824 11.643 1.00 0.00 H new ATOM 0 HA3 GLY A 80 107.948 6.418 10.605 1.00 0.00 H new ATOM 1273 N THR A 81 109.510 7.574 9.003 1.00 0.00 N ATOM 1274 CA THR A 81 110.431 8.304 8.081 1.00 0.00 C ATOM 1275 C THR A 81 111.475 7.359 7.494 1.00 0.00 C ATOM 1276 O THR A 81 111.770 6.314 8.039 1.00 0.00 O ATOM 1277 CB THR A 81 111.158 9.418 8.850 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.744 9.413 10.209 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.839 10.775 8.222 1.00 0.00 C ATOM 0 H THR A 81 109.626 6.561 9.031 1.00 0.00 H new ATOM 0 HA THR A 81 109.834 8.727 7.273 1.00 0.00 H new ATOM 0 HB THR A 81 112.233 9.242 8.800 1.00 0.00 H new ATOM 0 HG1 THR A 81 109.916 9.929 10.301 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.357 11.561 8.771 1.00 0.00 H new ATOM 0 HG22 THR A 81 111.168 10.781 7.183 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.764 10.951 8.263 1.00 0.00 H new ATOM 1287 N TRP A 82 112.055 7.747 6.392 1.00 0.00 N ATOM 1288 CA TRP A 82 113.110 6.902 5.764 1.00 0.00 C ATOM 1289 C TRP A 82 114.478 7.494 6.094 1.00 0.00 C ATOM 1290 O TRP A 82 114.650 8.696 6.141 1.00 0.00 O ATOM 1291 CB TRP A 82 112.934 6.877 4.243 1.00 0.00 C ATOM 1292 CG TRP A 82 111.498 6.664 3.907 1.00 0.00 C ATOM 1293 CD1 TRP A 82 110.564 7.635 3.868 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.820 5.425 3.557 1.00 0.00 C ATOM 1295 NE1 TRP A 82 109.348 7.076 3.528 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.454 5.712 3.322 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.252 4.094 3.425 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 108.549 4.710 2.968 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 110.346 3.084 3.068 1.00 0.00 C ATOM 1300 CH2 TRP A 82 108.996 3.391 2.840 1.00 0.00 C ATOM 0 H TRP A 82 111.844 8.614 5.898 1.00 0.00 H new ATOM 0 HA TRP A 82 113.031 5.885 6.149 1.00 0.00 H new ATOM 0 HB2 TRP A 82 113.283 7.815 3.811 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.541 6.082 3.810 1.00 0.00 H new ATOM 0 HD1 TRP A 82 110.739 8.681 4.070 1.00 0.00 H new ATOM 0 HE1 TRP A 82 108.479 7.603 3.440 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.289 3.847 3.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.511 4.952 2.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 110.689 2.065 2.968 1.00 0.00 H new ATOM 0 HH2 TRP A 82 108.303 2.610 2.566 1.00 0.00 H new ATOM 1311 N SER A 83 115.452 6.663 6.328 1.00 0.00 N ATOM 1312 CA SER A 83 116.807 7.179 6.660 1.00 0.00 C ATOM 1313 C SER A 83 117.838 6.300 5.965 1.00 0.00 C ATOM 1314 O SER A 83 117.560 5.177 5.618 1.00 0.00 O ATOM 1315 CB SER A 83 117.021 7.130 8.175 1.00 0.00 C ATOM 1316 OG SER A 83 116.520 8.325 8.758 1.00 0.00 O ATOM 0 H SER A 83 115.368 5.647 6.304 1.00 0.00 H new ATOM 0 HA SER A 83 116.909 8.211 6.325 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.512 6.264 8.598 1.00 0.00 H new ATOM 0 HB3 SER A 83 118.081 7.018 8.401 1.00 0.00 H new ATOM 0 HG SER A 83 115.862 8.732 8.156 1.00 0.00 H new ATOM 1322 N LEU A 84 119.020 6.781 5.738 1.00 0.00 N ATOM 1323 CA LEU A 84 120.015 5.923 5.068 1.00 0.00 C ATOM 1324 C LEU A 84 120.833 5.207 6.147 1.00 0.00 C ATOM 1325 O LEU A 84 121.374 5.823 7.045 1.00 0.00 O ATOM 1326 CB LEU A 84 120.912 6.790 4.172 1.00 0.00 C ATOM 1327 CG LEU A 84 122.373 6.382 4.338 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.589 4.987 3.749 1.00 0.00 C ATOM 1329 CD2 LEU A 84 123.269 7.388 3.611 1.00 0.00 C ATOM 0 H LEU A 84 119.335 7.719 5.985 1.00 0.00 H new ATOM 0 HA LEU A 84 119.529 5.179 4.437 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.612 6.680 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.789 7.842 4.430 1.00 0.00 H new ATOM 0 HG LEU A 84 122.626 6.368 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.633 4.699 3.869 1.00 0.00 H new ATOM 0 HD12 LEU A 84 121.953 4.270 4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 84 122.335 4.996 2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 84 124.313 7.097 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 84 123.014 7.403 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 84 123.119 8.381 4.034 1.00 0.00 H new ATOM 1341 N GLU A 85 120.921 3.912 6.066 1.00 0.00 N ATOM 1342 CA GLU A 85 121.696 3.142 7.069 1.00 0.00 C ATOM 1343 C GLU A 85 122.760 2.337 6.328 1.00 0.00 C ATOM 1344 O GLU A 85 122.456 1.548 5.455 1.00 0.00 O ATOM 1345 CB GLU A 85 120.747 2.206 7.832 1.00 0.00 C ATOM 1346 CG GLU A 85 121.390 0.828 8.009 1.00 0.00 C ATOM 1347 CD GLU A 85 120.577 0.010 9.013 1.00 0.00 C ATOM 1348 OE1 GLU A 85 120.870 -1.165 9.166 1.00 0.00 O ATOM 1349 OE2 GLU A 85 119.675 0.571 9.614 1.00 0.00 O ATOM 0 H GLU A 85 120.483 3.348 5.338 1.00 0.00 H new ATOM 0 HA GLU A 85 122.174 3.809 7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.510 2.632 8.807 1.00 0.00 H new ATOM 0 HB3 GLU A 85 119.807 2.109 7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 85 121.433 0.309 7.051 1.00 0.00 H new ATOM 0 HG3 GLU A 85 122.417 0.936 8.359 1.00 0.00 H new ATOM 1356 N GLY A 86 124.006 2.538 6.646 1.00 0.00 N ATOM 1357 CA GLY A 86 125.071 1.790 5.930 1.00 0.00 C ATOM 1358 C GLY A 86 124.900 2.022 4.429 1.00 0.00 C ATOM 1359 O GLY A 86 125.199 3.083 3.919 1.00 0.00 O ATOM 0 H GLY A 86 124.331 3.183 7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.055 2.127 6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.006 0.726 6.159 1.00 0.00 H new ATOM 1363 N ASN A 87 124.411 1.042 3.717 1.00 0.00 N ATOM 1364 CA ASN A 87 124.214 1.214 2.249 1.00 0.00 C ATOM 1365 C ASN A 87 122.760 0.905 1.875 1.00 0.00 C ATOM 1366 O ASN A 87 122.489 0.392 0.808 1.00 0.00 O ATOM 1367 CB ASN A 87 125.147 0.264 1.494 1.00 0.00 C ATOM 1368 CG ASN A 87 125.220 -1.074 2.233 1.00 0.00 C ATOM 1369 OD1 ASN A 87 125.472 -1.111 3.422 1.00 0.00 O ATOM 1370 ND2 ASN A 87 125.008 -2.181 1.576 1.00 0.00 N ATOM 0 H ASN A 87 124.140 0.131 4.088 1.00 0.00 H new ATOM 0 HA ASN A 87 124.442 2.245 1.977 1.00 0.00 H new ATOM 0 HB2 ASN A 87 124.783 0.111 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 87 126.142 0.702 1.414 1.00 0.00 H new ATOM 0 HD21 ASN A 87 125.054 -3.078 2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 87 124.797 -2.150 0.579 1.00 0.00 H new ATOM 1377 N LYS A 88 121.823 1.204 2.736 1.00 0.00 N ATOM 1378 CA LYS A 88 120.400 0.910 2.405 1.00 0.00 C ATOM 1379 C LYS A 88 119.502 2.051 2.886 1.00 0.00 C ATOM 1380 O LYS A 88 119.862 2.814 3.760 1.00 0.00 O ATOM 1381 CB LYS A 88 119.973 -0.389 3.095 1.00 0.00 C ATOM 1382 CG LYS A 88 121.012 -1.484 2.833 1.00 0.00 C ATOM 1383 CD LYS A 88 122.066 -1.474 3.945 1.00 0.00 C ATOM 1384 CE LYS A 88 121.547 -2.257 5.153 1.00 0.00 C ATOM 1385 NZ LYS A 88 122.663 -2.480 6.115 1.00 0.00 N ATOM 0 H LYS A 88 121.981 1.636 3.647 1.00 0.00 H new ATOM 0 HA LYS A 88 120.303 0.806 1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.868 -0.224 4.167 1.00 0.00 H new ATOM 0 HB3 LYS A 88 118.998 -0.705 2.724 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.525 -2.458 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 88 121.488 -1.323 1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 88 122.994 -1.917 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 88 122.294 -0.448 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 88 120.740 -1.707 5.637 1.00 0.00 H new ATOM 0 HE3 LYS A 88 121.134 -3.213 4.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 122.312 -3.012 6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 123.420 -3.021 5.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 123.038 -1.563 6.431 1.00 0.00 H new ATOM 1399 N LEU A 89 118.326 2.162 2.328 1.00 0.00 N ATOM 1400 CA LEU A 89 117.390 3.237 2.758 1.00 0.00 C ATOM 1401 C LEU A 89 116.360 2.627 3.708 1.00 0.00 C ATOM 1402 O LEU A 89 115.512 1.857 3.306 1.00 0.00 O ATOM 1403 CB LEU A 89 116.680 3.823 1.534 1.00 0.00 C ATOM 1404 CG LEU A 89 117.504 4.982 0.970 1.00 0.00 C ATOM 1405 CD1 LEU A 89 117.186 5.158 -0.515 1.00 0.00 C ATOM 1406 CD2 LEU A 89 117.154 6.268 1.721 1.00 0.00 C ATOM 0 H LEU A 89 117.974 1.552 1.591 1.00 0.00 H new ATOM 0 HA LEU A 89 117.939 4.033 3.261 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.549 3.053 0.774 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.685 4.171 1.810 1.00 0.00 H new ATOM 0 HG LEU A 89 118.566 4.766 1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.773 5.984 -0.917 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.433 4.242 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 89 116.125 5.374 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 89 117.741 7.095 1.320 1.00 0.00 H new ATOM 0 HD22 LEU A 89 116.093 6.483 1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 89 117.379 6.144 2.780 1.00 0.00 H new ATOM 1418 N ILE A 90 116.436 2.946 4.969 1.00 0.00 N ATOM 1419 CA ILE A 90 115.470 2.361 5.935 1.00 0.00 C ATOM 1420 C ILE A 90 114.128 3.081 5.856 1.00 0.00 C ATOM 1421 O ILE A 90 114.010 4.159 5.311 1.00 0.00 O ATOM 1422 CB ILE A 90 116.013 2.450 7.354 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.892 3.678 7.495 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.838 1.200 7.667 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.214 3.870 8.966 1.00 0.00 C ATOM 0 H ILE A 90 117.123 3.584 5.370 1.00 0.00 H new ATOM 0 HA ILE A 90 115.326 1.313 5.674 1.00 0.00 H new ATOM 0 HB ILE A 90 115.177 2.522 8.050 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.809 3.556 6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.382 4.557 7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.226 1.265 8.683 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.208 0.316 7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.669 1.127 6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.846 4.749 9.088 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.289 4.007 9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.738 2.991 9.341 1.00 0.00 H new ATOM 1437 N GLY A 91 113.122 2.468 6.405 1.00 0.00 N ATOM 1438 CA GLY A 91 111.757 3.062 6.397 1.00 0.00 C ATOM 1439 C GLY A 91 111.040 2.645 7.679 1.00 0.00 C ATOM 1440 O GLY A 91 110.463 1.582 7.764 1.00 0.00 O ATOM 0 H GLY A 91 113.188 1.562 6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.817 4.148 6.333 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.201 2.721 5.524 1.00 0.00 H new ATOM 1444 N LYS A 92 111.078 3.469 8.678 1.00 0.00 N ATOM 1445 CA LYS A 92 110.406 3.113 9.954 1.00 0.00 C ATOM 1446 C LYS A 92 108.958 3.591 9.904 1.00 0.00 C ATOM 1447 O LYS A 92 108.680 4.761 10.032 1.00 0.00 O ATOM 1448 CB LYS A 92 111.134 3.779 11.125 1.00 0.00 C ATOM 1449 CG LYS A 92 110.906 5.292 11.084 1.00 0.00 C ATOM 1450 CD LYS A 92 112.111 6.011 11.697 1.00 0.00 C ATOM 1451 CE LYS A 92 111.658 7.332 12.324 1.00 0.00 C ATOM 1452 NZ LYS A 92 111.257 7.097 13.740 1.00 0.00 N ATOM 0 H LYS A 92 111.545 4.376 8.669 1.00 0.00 H new ATOM 0 HA LYS A 92 110.429 2.032 10.093 1.00 0.00 H new ATOM 0 HB2 LYS A 92 110.771 3.373 12.069 1.00 0.00 H new ATOM 0 HB3 LYS A 92 112.201 3.561 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 92 110.759 5.620 10.055 1.00 0.00 H new ATOM 0 HG3 LYS A 92 110.000 5.548 11.632 1.00 0.00 H new ATOM 0 HD2 LYS A 92 112.578 5.380 12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.863 6.200 10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 92 112.465 8.064 12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 92 110.821 7.746 11.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 110.949 7.994 14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 110.475 6.412 13.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 112.067 6.720 14.272 1.00 0.00 H new ATOM 1466 N PHE A 93 108.036 2.691 9.705 1.00 0.00 N ATOM 1467 CA PHE A 93 106.600 3.086 9.633 1.00 0.00 C ATOM 1468 C PHE A 93 105.825 2.437 10.773 1.00 0.00 C ATOM 1469 O PHE A 93 105.930 1.253 11.025 1.00 0.00 O ATOM 1470 CB PHE A 93 106.012 2.632 8.291 1.00 0.00 C ATOM 1471 CG PHE A 93 106.239 3.681 7.219 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.891 4.887 7.520 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.793 3.440 5.912 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.094 5.843 6.519 1.00 0.00 C ATOM 1475 CE2 PHE A 93 105.996 4.399 4.912 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.647 5.600 5.215 1.00 0.00 C ATOM 0 H PHE A 93 108.215 1.694 9.588 1.00 0.00 H new ATOM 0 HA PHE A 93 106.522 4.170 9.719 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.471 1.691 7.988 1.00 0.00 H new ATOM 0 HB3 PHE A 93 104.944 2.445 8.402 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.236 5.077 8.525 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.292 2.513 5.676 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.596 6.770 6.753 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.650 4.212 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.804 6.339 4.443 1.00 0.00 H new ATOM 1486 N LYS A 94 105.040 3.217 11.457 1.00 0.00 N ATOM 1487 CA LYS A 94 104.237 2.673 12.584 1.00 0.00 C ATOM 1488 C LYS A 94 102.753 2.788 12.247 1.00 0.00 C ATOM 1489 O LYS A 94 102.235 3.866 12.038 1.00 0.00 O ATOM 1490 CB LYS A 94 104.529 3.467 13.859 1.00 0.00 C ATOM 1491 CG LYS A 94 105.797 2.929 14.526 1.00 0.00 C ATOM 1492 CD LYS A 94 107.027 3.588 13.897 1.00 0.00 C ATOM 1493 CE LYS A 94 107.327 4.906 14.613 1.00 0.00 C ATOM 1494 NZ LYS A 94 107.801 4.623 15.998 1.00 0.00 N ATOM 0 H LYS A 94 104.919 4.215 11.283 1.00 0.00 H new ATOM 0 HA LYS A 94 104.500 1.627 12.743 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.653 4.523 13.620 1.00 0.00 H new ATOM 0 HB3 LYS A 94 103.686 3.392 14.546 1.00 0.00 H new ATOM 0 HG2 LYS A 94 105.771 3.132 15.597 1.00 0.00 H new ATOM 0 HG3 LYS A 94 105.851 1.847 14.408 1.00 0.00 H new ATOM 0 HD2 LYS A 94 107.886 2.920 13.968 1.00 0.00 H new ATOM 0 HD3 LYS A 94 106.852 3.770 12.837 1.00 0.00 H new ATOM 0 HE2 LYS A 94 108.085 5.465 14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 94 106.432 5.528 14.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 108.442 5.382 16.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 106.985 4.575 16.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 108.307 3.715 16.013 1.00 0.00 H new ATOM 1508 N ARG A 95 102.064 1.682 12.191 1.00 0.00 N ATOM 1509 CA ARG A 95 100.612 1.726 11.864 1.00 0.00 C ATOM 1510 C ARG A 95 99.912 2.709 12.801 1.00 0.00 C ATOM 1511 O ARG A 95 99.851 2.508 13.998 1.00 0.00 O ATOM 1512 CB ARG A 95 100.004 0.332 12.036 1.00 0.00 C ATOM 1513 CG ARG A 95 100.508 -0.586 10.921 1.00 0.00 C ATOM 1514 CD ARG A 95 99.656 -1.856 10.879 1.00 0.00 C ATOM 1515 NE ARG A 95 98.288 -1.519 10.396 1.00 0.00 N ATOM 1516 CZ ARG A 95 97.300 -2.348 10.601 1.00 0.00 C ATOM 1517 NH1 ARG A 95 96.101 -2.054 10.177 1.00 0.00 N ATOM 1518 NH2 ARG A 95 97.511 -3.472 11.230 1.00 0.00 N ATOM 0 H ARG A 95 102.444 0.750 12.358 1.00 0.00 H new ATOM 0 HA ARG A 95 100.481 2.050 10.832 1.00 0.00 H new ATOM 0 HB2 ARG A 95 100.276 -0.077 13.009 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.916 0.392 12.008 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.459 -0.071 9.962 1.00 0.00 H new ATOM 0 HG3 ARG A 95 101.554 -0.843 11.092 1.00 0.00 H new ATOM 0 HD2 ARG A 95 100.115 -2.593 10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 95 99.603 -2.304 11.871 1.00 0.00 H new ATOM 0 HE ARG A 95 98.123 -0.640 9.905 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.935 -1.176 9.685 1.00 0.00 H new ATOM 0 HH12 ARG A 95 95.330 -2.702 10.338 1.00 0.00 H new ATOM 0 HH21 ARG A 95 98.448 -3.703 11.561 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.739 -4.119 11.390 1.00 0.00 H new ATOM 1532 N THR A 96 99.386 3.774 12.266 1.00 0.00 N ATOM 1533 CA THR A 96 98.692 4.774 13.123 1.00 0.00 C ATOM 1534 C THR A 96 97.265 4.321 13.363 1.00 0.00 C ATOM 1535 O THR A 96 96.548 4.841 14.196 1.00 0.00 O ATOM 1536 CB THR A 96 98.687 6.123 12.408 1.00 0.00 C ATOM 1537 OG1 THR A 96 98.966 5.924 11.030 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.750 7.031 13.017 1.00 0.00 C ATOM 0 H THR A 96 99.407 3.996 11.271 1.00 0.00 H new ATOM 0 HA THR A 96 99.208 4.868 14.079 1.00 0.00 H new ATOM 0 HB THR A 96 97.709 6.590 12.520 1.00 0.00 H new ATOM 0 HG1 THR A 96 99.559 6.636 10.710 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.744 7.993 12.504 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.537 7.182 14.075 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.731 6.568 12.907 1.00 0.00 H new ATOM 1546 N ASP A 97 96.871 3.355 12.626 1.00 0.00 N ATOM 1547 CA ASP A 97 95.492 2.809 12.749 1.00 0.00 C ATOM 1548 C ASP A 97 95.454 1.735 13.839 1.00 0.00 C ATOM 1549 O ASP A 97 94.431 1.498 14.450 1.00 0.00 O ATOM 1550 CB ASP A 97 95.067 2.193 11.414 1.00 0.00 C ATOM 1551 CG ASP A 97 93.589 1.806 11.477 1.00 0.00 C ATOM 1552 OD1 ASP A 97 92.801 2.436 10.791 1.00 0.00 O ATOM 1553 OD2 ASP A 97 93.268 0.885 12.210 1.00 0.00 O ATOM 0 H ASP A 97 97.449 2.898 11.921 1.00 0.00 H new ATOM 0 HA ASP A 97 94.809 3.616 13.015 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.233 2.904 10.604 1.00 0.00 H new ATOM 0 HB3 ASP A 97 95.675 1.315 11.197 1.00 0.00 H new ATOM 1558 N ASN A 98 96.559 1.082 14.090 1.00 0.00 N ATOM 1559 CA ASN A 98 96.580 0.028 15.139 1.00 0.00 C ATOM 1560 C ASN A 98 97.790 0.237 16.048 1.00 0.00 C ATOM 1561 O ASN A 98 98.011 -0.507 16.984 1.00 0.00 O ATOM 1562 CB ASN A 98 96.670 -1.349 14.477 1.00 0.00 C ATOM 1563 CG ASN A 98 95.405 -1.604 13.654 1.00 0.00 C ATOM 1564 OD1 ASN A 98 95.444 -2.301 12.661 1.00 0.00 O ATOM 1565 ND2 ASN A 98 94.278 -1.062 14.027 1.00 0.00 N ATOM 0 H ASN A 98 97.447 1.236 13.612 1.00 0.00 H new ATOM 0 HA ASN A 98 95.667 0.087 15.731 1.00 0.00 H new ATOM 0 HB2 ASN A 98 97.550 -1.399 13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 98 96.785 -2.122 15.236 1.00 0.00 H new ATOM 0 HD21 ASN A 98 93.430 -1.224 13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 98 94.245 -0.476 14.861 1.00 0.00 H new ATOM 1572 N GLY A 99 98.577 1.243 15.783 1.00 0.00 N ATOM 1573 CA GLY A 99 99.772 1.496 16.634 1.00 0.00 C ATOM 1574 C GLY A 99 100.662 0.253 16.642 1.00 0.00 C ATOM 1575 O GLY A 99 101.142 -0.172 17.673 1.00 0.00 O ATOM 0 H GLY A 99 98.444 1.900 15.014 1.00 0.00 H new ATOM 0 HA2 GLY A 99 100.328 2.353 16.254 1.00 0.00 H new ATOM 0 HA3 GLY A 99 99.463 1.742 17.650 1.00 0.00 H new ATOM 1579 N ASN A 100 100.889 -0.332 15.497 1.00 0.00 N ATOM 1580 CA ASN A 100 101.746 -1.537 15.434 1.00 0.00 C ATOM 1581 C ASN A 100 103.180 -1.117 15.174 1.00 0.00 C ATOM 1582 O ASN A 100 103.772 -0.353 15.911 1.00 0.00 O ATOM 1583 CB ASN A 100 101.268 -2.439 14.294 1.00 0.00 C ATOM 1584 CG ASN A 100 101.994 -3.783 14.368 1.00 0.00 C ATOM 1585 OD1 ASN A 100 103.042 -3.954 13.778 1.00 0.00 O ATOM 1586 ND2 ASN A 100 101.479 -4.752 15.074 1.00 0.00 N ATOM 0 H ASN A 100 100.513 -0.021 14.601 1.00 0.00 H new ATOM 0 HA ASN A 100 101.688 -2.079 16.378 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.191 -2.591 14.364 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.461 -1.962 13.333 1.00 0.00 H new ATOM 0 HD21 ASN A 100 101.956 -5.652 15.130 1.00 0.00 H new ATOM 0 HD22 ASN A 100 100.599 -4.610 15.570 1.00 0.00 H new ATOM 1593 N GLU A 101 103.730 -1.621 14.127 1.00 0.00 N ATOM 1594 CA GLU A 101 105.135 -1.281 13.775 1.00 0.00 C ATOM 1595 C GLU A 101 105.512 -1.919 12.434 1.00 0.00 C ATOM 1596 O GLU A 101 105.208 -3.065 12.170 1.00 0.00 O ATOM 1597 CB GLU A 101 106.064 -1.800 14.876 1.00 0.00 C ATOM 1598 CG GLU A 101 106.516 -3.228 14.556 1.00 0.00 C ATOM 1599 CD GLU A 101 107.170 -3.845 15.794 1.00 0.00 C ATOM 1600 OE1 GLU A 101 107.918 -4.796 15.632 1.00 0.00 O ATOM 1601 OE2 GLU A 101 106.912 -3.357 16.881 1.00 0.00 O ATOM 0 H GLU A 101 103.269 -2.264 13.484 1.00 0.00 H new ATOM 0 HA GLU A 101 105.236 -0.199 13.687 1.00 0.00 H new ATOM 0 HB2 GLU A 101 106.932 -1.148 14.967 1.00 0.00 H new ATOM 0 HB3 GLU A 101 105.549 -1.780 15.836 1.00 0.00 H new ATOM 0 HG2 GLU A 101 105.662 -3.830 14.244 1.00 0.00 H new ATOM 0 HG3 GLU A 101 107.221 -3.220 13.725 1.00 0.00 H new ATOM 1608 N LEU A 102 106.191 -1.185 11.591 1.00 0.00 N ATOM 1609 CA LEU A 102 106.610 -1.741 10.278 1.00 0.00 C ATOM 1610 C LEU A 102 108.076 -1.375 10.043 1.00 0.00 C ATOM 1611 O LEU A 102 108.407 -0.232 9.800 1.00 0.00 O ATOM 1612 CB LEU A 102 105.745 -1.146 9.159 1.00 0.00 C ATOM 1613 CG LEU A 102 106.243 -1.642 7.794 1.00 0.00 C ATOM 1614 CD1 LEU A 102 106.002 -3.149 7.670 1.00 0.00 C ATOM 1615 CD2 LEU A 102 105.485 -0.915 6.678 1.00 0.00 C ATOM 0 H LEU A 102 106.473 -0.219 11.760 1.00 0.00 H new ATOM 0 HA LEU A 102 106.488 -2.824 10.277 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.703 -1.432 9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.785 -0.057 9.197 1.00 0.00 H new ATOM 0 HG LEU A 102 107.310 -1.438 7.707 1.00 0.00 H new ATOM 0 HD11 LEU A 102 106.357 -3.496 6.700 1.00 0.00 H new ATOM 0 HD12 LEU A 102 106.541 -3.670 8.461 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.936 -3.356 7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 102 105.839 -1.267 5.709 1.00 0.00 H new ATOM 0 HD22 LEU A 102 104.418 -1.118 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 102 105.658 0.158 6.760 1.00 0.00 H new ATOM 1627 N ASN A 103 108.958 -2.334 10.110 1.00 0.00 N ATOM 1628 CA ASN A 103 110.400 -2.029 9.885 1.00 0.00 C ATOM 1629 C ASN A 103 110.760 -2.454 8.465 1.00 0.00 C ATOM 1630 O ASN A 103 110.855 -3.627 8.169 1.00 0.00 O ATOM 1631 CB ASN A 103 111.256 -2.799 10.899 1.00 0.00 C ATOM 1632 CG ASN A 103 111.798 -1.832 11.955 1.00 0.00 C ATOM 1633 OD1 ASN A 103 111.186 -1.635 12.986 1.00 0.00 O ATOM 1634 ND2 ASN A 103 112.929 -1.218 11.741 1.00 0.00 N ATOM 0 H ASN A 103 108.745 -3.311 10.310 1.00 0.00 H new ATOM 0 HA ASN A 103 110.587 -0.963 10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.660 -3.577 11.376 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.081 -3.297 10.390 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.299 -0.573 12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 103 113.443 -1.383 10.876 1.00 0.00 H new ATOM 1641 N THR A 104 110.925 -1.517 7.573 1.00 0.00 N ATOM 1642 CA THR A 104 111.226 -1.887 6.167 1.00 0.00 C ATOM 1643 C THR A 104 112.552 -1.295 5.690 1.00 0.00 C ATOM 1644 O THR A 104 113.210 -0.546 6.383 1.00 0.00 O ATOM 1645 CB THR A 104 110.102 -1.355 5.280 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.460 -1.506 3.914 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.879 0.125 5.594 1.00 0.00 C ATOM 0 H THR A 104 110.864 -0.516 7.758 1.00 0.00 H new ATOM 0 HA THR A 104 111.304 -2.973 6.107 1.00 0.00 H new ATOM 0 HB THR A 104 109.186 -1.913 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.636 -2.451 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.078 0.514 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.604 0.237 6.643 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.796 0.681 5.398 1.00 0.00 H new ATOM 1655 N VAL A 105 112.929 -1.639 4.486 1.00 0.00 N ATOM 1656 CA VAL A 105 114.195 -1.123 3.901 1.00 0.00 C ATOM 1657 C VAL A 105 114.017 -0.991 2.385 1.00 0.00 C ATOM 1658 O VAL A 105 113.207 -1.673 1.790 1.00 0.00 O ATOM 1659 CB VAL A 105 115.331 -2.101 4.199 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.655 -1.513 3.709 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.411 -2.345 5.708 1.00 0.00 C ATOM 0 H VAL A 105 112.403 -2.265 3.877 1.00 0.00 H new ATOM 0 HA VAL A 105 114.437 -0.152 4.333 1.00 0.00 H new ATOM 0 HB VAL A 105 115.141 -3.044 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.464 -2.211 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.600 -1.338 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.846 -0.570 4.221 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.221 -3.042 5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 105 115.600 -1.401 6.220 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.469 -2.765 6.059 1.00 0.00 H new ATOM 1671 N ARG A 106 114.757 -0.118 1.755 1.00 0.00 N ATOM 1672 CA ARG A 106 114.611 0.051 0.279 1.00 0.00 C ATOM 1673 C ARG A 106 115.977 -0.083 -0.401 1.00 0.00 C ATOM 1674 O ARG A 106 116.946 0.527 0.004 1.00 0.00 O ATOM 1675 CB ARG A 106 114.031 1.435 -0.017 1.00 0.00 C ATOM 1676 CG ARG A 106 112.516 1.409 0.190 1.00 0.00 C ATOM 1677 CD ARG A 106 111.955 2.825 0.048 1.00 0.00 C ATOM 1678 NE ARG A 106 111.723 3.125 -1.393 1.00 0.00 N ATOM 1679 CZ ARG A 106 111.323 4.313 -1.756 1.00 0.00 C ATOM 1680 NH1 ARG A 106 111.119 4.576 -3.017 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.129 5.239 -0.856 1.00 0.00 N ATOM 0 H ARG A 106 115.453 0.483 2.196 1.00 0.00 H new ATOM 0 HA ARG A 106 113.943 -0.720 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 106 114.485 2.179 0.638 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.264 1.727 -1.041 1.00 0.00 H new ATOM 0 HG2 ARG A 106 112.050 0.747 -0.540 1.00 0.00 H new ATOM 0 HG3 ARG A 106 112.280 1.011 1.177 1.00 0.00 H new ATOM 0 HD2 ARG A 106 111.022 2.915 0.604 1.00 0.00 H new ATOM 0 HD3 ARG A 106 112.651 3.548 0.474 1.00 0.00 H new ATOM 0 HE ARG A 106 111.877 2.402 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 106 111.272 3.853 -3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 106 110.806 5.505 -3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.290 5.034 0.130 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.816 6.168 -1.139 1.00 0.00 H new ATOM 1695 N GLU A 107 116.055 -0.876 -1.438 1.00 0.00 N ATOM 1696 CA GLU A 107 117.353 -1.050 -2.158 1.00 0.00 C ATOM 1697 C GLU A 107 117.126 -0.834 -3.654 1.00 0.00 C ATOM 1698 O GLU A 107 116.019 -0.936 -4.140 1.00 0.00 O ATOM 1699 CB GLU A 107 117.900 -2.459 -1.922 1.00 0.00 C ATOM 1700 CG GLU A 107 117.999 -2.726 -0.419 1.00 0.00 C ATOM 1701 CD GLU A 107 117.987 -4.234 -0.166 1.00 0.00 C ATOM 1702 OE1 GLU A 107 117.164 -4.677 0.620 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.799 -4.921 -0.762 1.00 0.00 O ATOM 0 H GLU A 107 115.275 -1.412 -1.818 1.00 0.00 H new ATOM 0 HA GLU A 107 118.075 -0.324 -1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.248 -3.196 -2.390 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.881 -2.561 -2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.914 -2.287 -0.021 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.166 -2.253 0.101 1.00 0.00 H new ATOM 1710 N ILE A 108 118.163 -0.533 -4.390 1.00 0.00 N ATOM 1711 CA ILE A 108 118.007 -0.310 -5.841 1.00 0.00 C ATOM 1712 C ILE A 108 118.864 -1.326 -6.578 1.00 0.00 C ATOM 1713 O ILE A 108 119.972 -1.043 -6.986 1.00 0.00 O ATOM 1714 CB ILE A 108 118.493 1.091 -6.187 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.804 2.120 -5.276 1.00 0.00 C ATOM 1716 CG2 ILE A 108 118.169 1.373 -7.650 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.625 2.767 -6.004 1.00 0.00 C ATOM 0 H ILE A 108 119.115 -0.433 -4.038 1.00 0.00 H new ATOM 0 HA ILE A 108 116.961 -0.416 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 108 119.570 1.163 -6.033 1.00 0.00 H new ATOM 0 HG12 ILE A 108 117.455 1.634 -4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.519 2.886 -4.975 1.00 0.00 H new ATOM 0 HG21 ILE A 108 118.512 2.374 -7.912 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.671 0.640 -8.282 1.00 0.00 H new ATOM 0 HG23 ILE A 108 117.092 1.306 -7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.146 3.493 -5.347 1.00 0.00 H new ATOM 0 HD12 ILE A 108 116.984 3.270 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 108 115.903 1.999 -6.282 1.00 0.00 H new ATOM 1729 N ILE A 109 118.365 -2.509 -6.744 1.00 0.00 N ATOM 1730 CA ILE A 109 119.163 -3.541 -7.451 1.00 0.00 C ATOM 1731 C ILE A 109 119.393 -3.085 -8.889 1.00 0.00 C ATOM 1732 O ILE A 109 118.606 -3.349 -9.773 1.00 0.00 O ATOM 1733 CB ILE A 109 118.413 -4.878 -7.439 1.00 0.00 C ATOM 1734 CG1 ILE A 109 118.646 -5.575 -6.095 1.00 0.00 C ATOM 1735 CG2 ILE A 109 118.931 -5.771 -8.573 1.00 0.00 C ATOM 1736 CD1 ILE A 109 117.801 -6.849 -6.026 1.00 0.00 C ATOM 0 H ILE A 109 117.444 -2.808 -6.424 1.00 0.00 H new ATOM 0 HA ILE A 109 120.122 -3.675 -6.950 1.00 0.00 H new ATOM 0 HB ILE A 109 117.347 -4.698 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 109 119.702 -5.820 -5.979 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.382 -4.906 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 109 118.396 -6.721 -8.562 1.00 0.00 H new ATOM 0 HG22 ILE A 109 118.769 -5.275 -9.530 1.00 0.00 H new ATOM 0 HG23 ILE A 109 119.997 -5.953 -8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 109 117.967 -7.345 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 109 116.746 -6.592 -6.123 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.087 -7.520 -6.836 1.00 0.00 H new ATOM 1748 N GLY A 110 120.478 -2.407 -9.121 1.00 0.00 N ATOM 1749 CA GLY A 110 120.783 -1.931 -10.501 1.00 0.00 C ATOM 1750 C GLY A 110 119.587 -1.167 -11.079 1.00 0.00 C ATOM 1751 O GLY A 110 119.558 0.048 -11.073 1.00 0.00 O ATOM 0 H GLY A 110 121.171 -2.160 -8.414 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.661 -1.286 -10.484 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.024 -2.780 -11.141 1.00 0.00 H new ATOM 1755 N ASP A 111 118.606 -1.866 -11.593 1.00 0.00 N ATOM 1756 CA ASP A 111 117.425 -1.175 -12.187 1.00 0.00 C ATOM 1757 C ASP A 111 116.131 -1.684 -11.548 1.00 0.00 C ATOM 1758 O ASP A 111 115.085 -1.689 -12.165 1.00 0.00 O ATOM 1759 CB ASP A 111 117.387 -1.434 -13.694 1.00 0.00 C ATOM 1760 CG ASP A 111 118.813 -1.447 -14.246 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.068 -2.218 -15.157 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.627 -0.686 -13.749 1.00 0.00 O ATOM 0 H ASP A 111 118.574 -2.885 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 111 117.512 -0.105 -11.999 1.00 0.00 H new ATOM 0 HB2 ASP A 111 116.898 -2.387 -13.898 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.800 -0.662 -14.192 1.00 0.00 H new ATOM 1767 N GLU A 112 116.190 -2.104 -10.319 1.00 0.00 N ATOM 1768 CA GLU A 112 114.964 -2.602 -9.636 1.00 0.00 C ATOM 1769 C GLU A 112 114.937 -2.049 -8.210 1.00 0.00 C ATOM 1770 O GLU A 112 115.970 -1.858 -7.600 1.00 0.00 O ATOM 1771 CB GLU A 112 114.980 -4.133 -9.602 1.00 0.00 C ATOM 1772 CG GLU A 112 115.769 -4.663 -10.802 1.00 0.00 C ATOM 1773 CD GLU A 112 115.683 -6.189 -10.838 1.00 0.00 C ATOM 1774 OE1 GLU A 112 116.721 -6.818 -10.955 1.00 0.00 O ATOM 1775 OE2 GLU A 112 114.580 -6.703 -10.747 1.00 0.00 O ATOM 0 H GLU A 112 117.038 -2.125 -9.753 1.00 0.00 H new ATOM 0 HA GLU A 112 114.076 -2.272 -10.175 1.00 0.00 H new ATOM 0 HB2 GLU A 112 115.432 -4.482 -8.674 1.00 0.00 H new ATOM 0 HB3 GLU A 112 113.961 -4.518 -9.625 1.00 0.00 H new ATOM 0 HG2 GLU A 112 115.370 -4.244 -11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 112 116.810 -4.349 -10.733 1.00 0.00 H new ATOM 1782 N LEU A 113 113.775 -1.784 -7.667 1.00 0.00 N ATOM 1783 CA LEU A 113 113.730 -1.238 -6.276 1.00 0.00 C ATOM 1784 C LEU A 113 113.220 -2.314 -5.323 1.00 0.00 C ATOM 1785 O LEU A 113 112.065 -2.687 -5.356 1.00 0.00 O ATOM 1786 CB LEU A 113 112.806 -0.019 -6.231 1.00 0.00 C ATOM 1787 CG LEU A 113 112.827 0.607 -4.834 1.00 0.00 C ATOM 1788 CD1 LEU A 113 114.021 1.556 -4.719 1.00 0.00 C ATOM 1789 CD2 LEU A 113 111.533 1.395 -4.615 1.00 0.00 C ATOM 0 H LEU A 113 112.870 -1.919 -8.117 1.00 0.00 H new ATOM 0 HA LEU A 113 114.732 -0.936 -5.971 1.00 0.00 H new ATOM 0 HB2 LEU A 113 113.124 0.715 -6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.789 -0.314 -6.490 1.00 0.00 H new ATOM 0 HG LEU A 113 112.912 -0.179 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 113 114.037 2.002 -3.725 1.00 0.00 H new ATOM 0 HD12 LEU A 113 114.944 1.000 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 113 113.934 2.343 -5.468 1.00 0.00 H new ATOM 0 HD21 LEU A 113 111.543 1.843 -3.621 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.454 2.181 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 113 110.679 0.723 -4.701 1.00 0.00 H new ATOM 1801 N VAL A 114 114.073 -2.815 -4.472 1.00 0.00 N ATOM 1802 CA VAL A 114 113.635 -3.867 -3.518 1.00 0.00 C ATOM 1803 C VAL A 114 113.144 -3.207 -2.235 1.00 0.00 C ATOM 1804 O VAL A 114 113.900 -2.579 -1.521 1.00 0.00 O ATOM 1805 CB VAL A 114 114.807 -4.794 -3.189 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.279 -6.129 -2.650 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.635 -5.041 -4.453 1.00 0.00 C ATOM 0 H VAL A 114 115.053 -2.540 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 114 112.832 -4.449 -3.969 1.00 0.00 H new ATOM 0 HB VAL A 114 115.434 -4.325 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.118 -6.785 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.696 -5.951 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.647 -6.601 -3.403 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.470 -5.701 -4.218 1.00 0.00 H new ATOM 0 HG22 VAL A 114 115.008 -5.506 -5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 114 116.018 -4.092 -4.828 1.00 0.00 H new ATOM 1817 N GLN A 115 111.886 -3.353 -1.929 1.00 0.00 N ATOM 1818 CA GLN A 115 111.352 -2.743 -0.684 1.00 0.00 C ATOM 1819 C GLN A 115 110.936 -3.868 0.257 1.00 0.00 C ATOM 1820 O GLN A 115 109.913 -4.496 0.073 1.00 0.00 O ATOM 1821 CB GLN A 115 110.138 -1.873 -1.017 1.00 0.00 C ATOM 1822 CG GLN A 115 109.695 -1.113 0.236 1.00 0.00 C ATOM 1823 CD GLN A 115 108.647 -0.067 -0.146 1.00 0.00 C ATOM 1824 OE1 GLN A 115 107.519 -0.402 -0.451 1.00 0.00 O ATOM 1825 NE2 GLN A 115 108.972 1.197 -0.144 1.00 0.00 N ATOM 0 H GLN A 115 111.206 -3.868 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 115 112.112 -2.120 -0.213 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.388 -1.170 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.322 -2.495 -1.386 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.282 -1.807 0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.553 -0.630 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 115 109.918 1.480 0.112 1.00 0.00 H new ATOM 0 HE22 GLN A 115 108.280 1.902 -0.398 1.00 0.00 H new ATOM 1834 N THR A 116 111.726 -4.143 1.256 1.00 0.00 N ATOM 1835 CA THR A 116 111.374 -5.243 2.191 1.00 0.00 C ATOM 1836 C THR A 116 110.801 -4.663 3.474 1.00 0.00 C ATOM 1837 O THR A 116 111.218 -3.622 3.939 1.00 0.00 O ATOM 1838 CB THR A 116 112.626 -6.058 2.523 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.530 -6.004 1.428 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.237 -7.509 2.799 1.00 0.00 C ATOM 0 H THR A 116 112.597 -3.655 1.464 1.00 0.00 H new ATOM 0 HA THR A 116 110.632 -5.887 1.719 1.00 0.00 H new ATOM 0 HB THR A 116 113.105 -5.641 3.409 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.333 -6.524 1.641 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.131 -8.087 3.035 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.547 -7.547 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.755 -7.931 1.917 1.00 0.00 H new ATOM 1848 N TYR A 117 109.861 -5.343 4.062 1.00 0.00 N ATOM 1849 CA TYR A 117 109.271 -4.846 5.335 1.00 0.00 C ATOM 1850 C TYR A 117 109.330 -5.945 6.384 1.00 0.00 C ATOM 1851 O TYR A 117 109.257 -7.119 6.086 1.00 0.00 O ATOM 1852 CB TYR A 117 107.811 -4.418 5.146 1.00 0.00 C ATOM 1853 CG TYR A 117 107.519 -4.210 3.689 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.588 -5.290 2.816 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.170 -2.940 3.218 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.308 -5.110 1.457 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.889 -2.754 1.862 1.00 0.00 C ATOM 1858 CZ TYR A 117 106.958 -3.840 0.979 1.00 0.00 C ATOM 1859 OH TYR A 117 106.681 -3.658 -0.361 1.00 0.00 O ATOM 0 H TYR A 117 109.475 -6.222 3.717 1.00 0.00 H new ATOM 0 HA TYR A 117 109.848 -3.979 5.657 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.145 -5.179 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.619 -3.498 5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 117 107.858 -6.268 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.118 -2.105 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.361 -5.948 0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.619 -1.775 1.495 1.00 0.00 H new ATOM 0 HH TYR A 117 107.065 -2.808 -0.662 1.00 0.00 H new ATOM 1869 N VAL A 118 109.440 -5.556 7.614 1.00 0.00 N ATOM 1870 CA VAL A 118 109.483 -6.546 8.723 1.00 0.00 C ATOM 1871 C VAL A 118 108.279 -6.323 9.607 1.00 0.00 C ATOM 1872 O VAL A 118 107.778 -5.222 9.735 1.00 0.00 O ATOM 1873 CB VAL A 118 110.738 -6.354 9.570 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.932 -7.572 10.482 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.961 -6.181 8.664 1.00 0.00 C ATOM 0 H VAL A 118 109.503 -4.581 7.907 1.00 0.00 H new ATOM 0 HA VAL A 118 109.487 -7.551 8.301 1.00 0.00 H new ATOM 0 HB VAL A 118 110.624 -5.459 10.182 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.828 -7.435 11.087 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.066 -7.679 11.136 1.00 0.00 H new ATOM 0 HG13 VAL A 118 111.039 -8.469 9.873 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.852 -6.045 9.277 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.081 -7.068 8.042 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.822 -5.307 8.027 1.00 0.00 H new ATOM 1885 N TYR A 119 107.810 -7.356 10.221 1.00 0.00 N ATOM 1886 CA TYR A 119 106.628 -7.195 11.102 1.00 0.00 C ATOM 1887 C TYR A 119 106.751 -8.082 12.341 1.00 0.00 C ATOM 1888 O TYR A 119 106.648 -9.292 12.278 1.00 0.00 O ATOM 1889 CB TYR A 119 105.364 -7.561 10.326 1.00 0.00 C ATOM 1890 CG TYR A 119 104.247 -6.627 10.716 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.572 -6.825 11.921 1.00 0.00 C ATOM 1892 CD2 TYR A 119 103.883 -5.572 9.873 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.527 -5.969 12.287 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.842 -4.712 10.238 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.162 -4.912 11.445 1.00 0.00 C ATOM 1896 OH TYR A 119 101.132 -4.066 11.805 1.00 0.00 O ATOM 0 H TYR A 119 108.187 -8.302 10.156 1.00 0.00 H new ATOM 0 HA TYR A 119 106.572 -6.156 11.428 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.550 -7.495 9.254 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.081 -8.592 10.537 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.856 -7.639 12.571 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.406 -5.421 8.940 1.00 0.00 H new ATOM 0 HE1 TYR A 119 102.003 -6.124 13.218 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.563 -3.895 9.589 1.00 0.00 H new ATOM 0 HH TYR A 119 100.490 -4.552 12.364 1.00 0.00 H new ATOM 1906 N GLU A 120 106.951 -7.467 13.469 1.00 0.00 N ATOM 1907 CA GLU A 120 107.060 -8.219 14.753 1.00 0.00 C ATOM 1908 C GLU A 120 107.968 -9.433 14.602 1.00 0.00 C ATOM 1909 O GLU A 120 107.916 -10.359 15.387 1.00 0.00 O ATOM 1910 CB GLU A 120 105.670 -8.673 15.199 1.00 0.00 C ATOM 1911 CG GLU A 120 104.855 -7.458 15.648 1.00 0.00 C ATOM 1912 CD GLU A 120 105.193 -7.124 17.102 1.00 0.00 C ATOM 1913 OE1 GLU A 120 105.831 -6.108 17.324 1.00 0.00 O ATOM 1914 OE2 GLU A 120 104.808 -7.891 17.969 1.00 0.00 O ATOM 0 H GLU A 120 107.046 -6.456 13.560 1.00 0.00 H new ATOM 0 HA GLU A 120 107.494 -7.557 15.503 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.162 -9.182 14.380 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.755 -9.389 16.016 1.00 0.00 H new ATOM 0 HG2 GLU A 120 105.074 -6.604 15.007 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.789 -7.665 15.550 1.00 0.00 H new ATOM 1921 N GLY A 121 108.805 -9.436 13.612 1.00 0.00 N ATOM 1922 CA GLY A 121 109.725 -10.592 13.425 1.00 0.00 C ATOM 1923 C GLY A 121 109.353 -11.331 12.151 1.00 0.00 C ATOM 1924 O GLY A 121 109.584 -12.516 12.017 1.00 0.00 O ATOM 0 H GLY A 121 108.896 -8.691 12.922 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.757 -10.245 13.369 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.661 -11.264 14.281 1.00 0.00 H new ATOM 1928 N VAL A 122 108.801 -10.633 11.200 1.00 0.00 N ATOM 1929 CA VAL A 122 108.441 -11.277 9.923 1.00 0.00 C ATOM 1930 C VAL A 122 109.142 -10.512 8.833 1.00 0.00 C ATOM 1931 O VAL A 122 109.801 -9.526 9.086 1.00 0.00 O ATOM 1932 CB VAL A 122 106.933 -11.239 9.696 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.552 -10.009 8.872 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.504 -12.503 8.956 1.00 0.00 C ATOM 0 H VAL A 122 108.585 -9.638 11.260 1.00 0.00 H new ATOM 0 HA VAL A 122 108.742 -12.325 9.931 1.00 0.00 H new ATOM 0 HB VAL A 122 106.428 -11.186 10.660 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.473 -9.994 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.855 -9.107 9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.056 -10.047 7.906 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.427 -12.480 8.791 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.017 -12.554 7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.762 -13.379 9.552 1.00 0.00 H new ATOM 1944 N GLU A 123 109.021 -10.944 7.631 1.00 0.00 N ATOM 1945 CA GLU A 123 109.713 -10.203 6.552 1.00 0.00 C ATOM 1946 C GLU A 123 109.042 -10.434 5.197 1.00 0.00 C ATOM 1947 O GLU A 123 108.878 -11.552 4.749 1.00 0.00 O ATOM 1948 CB GLU A 123 111.173 -10.665 6.489 1.00 0.00 C ATOM 1949 CG GLU A 123 111.767 -10.330 5.119 1.00 0.00 C ATOM 1950 CD GLU A 123 113.278 -10.126 5.251 1.00 0.00 C ATOM 1951 OE1 GLU A 123 114.014 -10.891 4.652 1.00 0.00 O ATOM 1952 OE2 GLU A 123 113.673 -9.207 5.950 1.00 0.00 O ATOM 0 H GLU A 123 108.485 -11.762 7.342 1.00 0.00 H new ATOM 0 HA GLU A 123 109.661 -9.137 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.752 -10.179 7.275 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.232 -11.739 6.668 1.00 0.00 H new ATOM 0 HG2 GLU A 123 111.559 -11.135 4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.302 -9.429 4.720 1.00 0.00 H new ATOM 1959 N ALA A 124 108.682 -9.372 4.530 1.00 0.00 N ATOM 1960 CA ALA A 124 108.055 -9.494 3.184 1.00 0.00 C ATOM 1961 C ALA A 124 108.906 -8.700 2.190 1.00 0.00 C ATOM 1962 O ALA A 124 109.560 -7.746 2.560 1.00 0.00 O ATOM 1963 CB ALA A 124 106.629 -8.938 3.217 1.00 0.00 C ATOM 0 H ALA A 124 108.797 -8.415 4.864 1.00 0.00 H new ATOM 0 HA ALA A 124 108.006 -10.541 2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.179 -9.032 2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 124 106.037 -9.499 3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.655 -7.887 3.506 1.00 0.00 H new ATOM 1969 N LYS A 125 108.928 -9.086 0.940 1.00 0.00 N ATOM 1970 CA LYS A 125 109.772 -8.339 -0.038 1.00 0.00 C ATOM 1971 C LYS A 125 108.971 -7.968 -1.286 1.00 0.00 C ATOM 1972 O LYS A 125 108.187 -8.743 -1.796 1.00 0.00 O ATOM 1973 CB LYS A 125 110.965 -9.206 -0.445 1.00 0.00 C ATOM 1974 CG LYS A 125 112.114 -8.312 -0.926 1.00 0.00 C ATOM 1975 CD LYS A 125 113.411 -9.127 -0.986 1.00 0.00 C ATOM 1976 CE LYS A 125 113.466 -9.910 -2.298 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.508 -10.970 -2.200 1.00 0.00 N ATOM 0 H LYS A 125 108.406 -9.875 0.559 1.00 0.00 H new ATOM 0 HA LYS A 125 110.117 -7.421 0.438 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.292 -9.811 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.672 -9.896 -1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.883 -7.904 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.236 -7.465 -0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.273 -8.464 -0.911 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.461 -9.812 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.495 -10.358 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 125 113.692 -9.238 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 114.836 -11.223 -3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 115.310 -10.617 -1.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 114.106 -11.810 -1.738 1.00 0.00 H new ATOM 1991 N ARG A 126 109.192 -6.783 -1.789 1.00 0.00 N ATOM 1992 CA ARG A 126 108.482 -6.335 -3.021 1.00 0.00 C ATOM 1993 C ARG A 126 109.496 -5.624 -3.919 1.00 0.00 C ATOM 1994 O ARG A 126 110.028 -4.591 -3.566 1.00 0.00 O ATOM 1995 CB ARG A 126 107.352 -5.371 -2.641 1.00 0.00 C ATOM 1996 CG ARG A 126 106.134 -5.630 -3.531 1.00 0.00 C ATOM 1997 CD ARG A 126 104.997 -4.690 -3.126 1.00 0.00 C ATOM 1998 NE ARG A 126 104.771 -4.789 -1.657 1.00 0.00 N ATOM 1999 CZ ARG A 126 104.138 -3.837 -1.028 1.00 0.00 C ATOM 2000 NH1 ARG A 126 103.940 -3.925 0.259 1.00 0.00 N ATOM 2001 NH2 ARG A 126 103.703 -2.797 -1.686 1.00 0.00 N ATOM 0 H ARG A 126 109.840 -6.101 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 126 108.050 -7.188 -3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.084 -5.504 -1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 126 107.686 -4.340 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 126 106.395 -5.473 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 126 105.814 -6.668 -3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.244 -3.664 -3.398 1.00 0.00 H new ATOM 0 HD3 ARG A 126 104.086 -4.952 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 126 105.111 -5.601 -1.143 1.00 0.00 H new ATOM 0 HH11 ARG A 126 104.280 -4.738 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 126 103.445 -3.181 0.751 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.858 -2.729 -2.692 1.00 0.00 H new ATOM 0 HH22 ARG A 126 103.208 -2.053 -1.194 1.00 0.00 H new ATOM 2015 N ILE A 127 109.795 -6.178 -5.065 1.00 0.00 N ATOM 2016 CA ILE A 127 110.805 -5.536 -5.954 1.00 0.00 C ATOM 2017 C ILE A 127 110.137 -4.866 -7.152 1.00 0.00 C ATOM 2018 O ILE A 127 109.322 -5.450 -7.838 1.00 0.00 O ATOM 2019 CB ILE A 127 111.784 -6.594 -6.460 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.295 -7.431 -5.281 1.00 0.00 C ATOM 2021 CG2 ILE A 127 112.962 -5.906 -7.153 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.731 -8.852 -5.376 1.00 0.00 C ATOM 0 H ILE A 127 109.386 -7.042 -5.421 1.00 0.00 H new ATOM 0 HA ILE A 127 111.332 -4.776 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 127 111.277 -7.248 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.385 -7.460 -5.288 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.995 -6.972 -4.339 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.662 -6.659 -7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.596 -5.317 -7.994 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.469 -5.251 -6.445 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.095 -9.445 -4.537 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.642 -8.814 -5.347 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.054 -9.310 -6.311 1.00 0.00 H new ATOM 2034 N PHE A 128 110.500 -3.641 -7.415 1.00 0.00 N ATOM 2035 CA PHE A 128 109.917 -2.914 -8.577 1.00 0.00 C ATOM 2036 C PHE A 128 110.918 -2.938 -9.736 1.00 0.00 C ATOM 2037 O PHE A 128 112.022 -3.424 -9.603 1.00 0.00 O ATOM 2038 CB PHE A 128 109.626 -1.453 -8.192 1.00 0.00 C ATOM 2039 CG PHE A 128 108.951 -1.384 -6.843 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.237 -2.478 -6.377 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.036 -0.221 -6.065 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.596 -2.430 -5.134 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.399 -0.167 -4.818 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.678 -1.273 -4.353 1.00 0.00 C ATOM 0 H PHE A 128 111.180 -3.109 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 128 108.987 -3.398 -8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.556 -0.885 -8.169 1.00 0.00 H new ATOM 0 HB3 PHE A 128 108.990 -0.992 -8.947 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.175 -3.373 -6.978 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.591 0.632 -6.426 1.00 0.00 H new ATOM 0 HE1 PHE A 128 107.039 -3.285 -4.779 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.464 0.727 -4.216 1.00 0.00 H new ATOM 0 HZ PHE A 128 107.186 -1.233 -3.393 1.00 0.00 H new ATOM 2054 N LYS A 129 110.538 -2.412 -10.869 1.00 0.00 N ATOM 2055 CA LYS A 129 111.456 -2.401 -12.043 1.00 0.00 C ATOM 2056 C LYS A 129 110.922 -1.422 -13.092 1.00 0.00 C ATOM 2057 O LYS A 129 109.750 -1.102 -13.118 1.00 0.00 O ATOM 2058 CB LYS A 129 111.533 -3.805 -12.646 1.00 0.00 C ATOM 2059 CG LYS A 129 112.694 -3.871 -13.640 1.00 0.00 C ATOM 2060 CD LYS A 129 112.714 -5.245 -14.312 1.00 0.00 C ATOM 2061 CE LYS A 129 114.113 -5.524 -14.864 1.00 0.00 C ATOM 2062 NZ LYS A 129 115.024 -5.895 -13.744 1.00 0.00 N ATOM 0 H LYS A 129 109.625 -1.987 -11.032 1.00 0.00 H new ATOM 0 HA LYS A 129 112.451 -2.090 -11.726 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.673 -4.544 -11.857 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.597 -4.049 -13.148 1.00 0.00 H new ATOM 0 HG2 LYS A 129 112.588 -3.089 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 129 113.638 -3.693 -13.125 1.00 0.00 H new ATOM 0 HD2 LYS A 129 112.434 -6.016 -13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 129 111.981 -5.278 -15.118 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.073 -6.330 -15.596 1.00 0.00 H new ATOM 0 HE3 LYS A 129 114.494 -4.643 -15.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 115.700 -5.123 -13.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 114.465 -6.060 -12.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 115.543 -6.762 -13.991 1.00 0.00 H new ATOM 2076 N LYS A 130 111.776 -0.934 -13.950 1.00 0.00 N ATOM 2077 CA LYS A 130 111.320 0.036 -14.988 1.00 0.00 C ATOM 2078 C LYS A 130 110.048 -0.484 -15.657 1.00 0.00 C ATOM 2079 O LYS A 130 109.979 -1.617 -16.089 1.00 0.00 O ATOM 2080 CB LYS A 130 112.417 0.206 -16.040 1.00 0.00 C ATOM 2081 CG LYS A 130 113.053 -1.153 -16.341 1.00 0.00 C ATOM 2082 CD LYS A 130 113.761 -1.096 -17.696 1.00 0.00 C ATOM 2083 CE LYS A 130 114.718 -2.284 -17.822 1.00 0.00 C ATOM 2084 NZ LYS A 130 115.857 -2.106 -16.877 1.00 0.00 N ATOM 0 H LYS A 130 112.769 -1.164 -13.978 1.00 0.00 H new ATOM 0 HA LYS A 130 111.112 0.997 -14.518 1.00 0.00 H new ATOM 0 HB2 LYS A 130 111.998 0.633 -16.951 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.175 0.902 -15.681 1.00 0.00 H new ATOM 0 HG2 LYS A 130 113.764 -1.415 -15.558 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.289 -1.930 -16.350 1.00 0.00 H new ATOM 0 HD2 LYS A 130 113.028 -1.119 -18.503 1.00 0.00 H new ATOM 0 HD3 LYS A 130 114.311 -0.160 -17.792 1.00 0.00 H new ATOM 0 HE2 LYS A 130 114.192 -3.213 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 130 115.088 -2.360 -18.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 116.693 -2.603 -17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 116.072 -1.093 -16.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 115.602 -2.497 -15.948 1.00 0.00 H new ATOM 2098 N ASP A 131 109.038 0.338 -15.748 1.00 0.00 N ATOM 2099 CA ASP A 131 107.769 -0.108 -16.390 1.00 0.00 C ATOM 2100 C ASP A 131 108.089 -0.831 -17.700 1.00 0.00 C ATOM 2101 O ASP A 131 109.105 -0.514 -18.296 1.00 0.00 O ATOM 2102 CB ASP A 131 106.889 1.110 -16.681 1.00 0.00 C ATOM 2103 CG ASP A 131 105.653 0.669 -17.468 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.006 -0.272 -17.041 1.00 0.00 O ATOM 2105 OD2 ASP A 131 105.375 1.281 -18.487 1.00 0.00 O ATOM 0 H ASP A 131 109.037 1.299 -15.406 1.00 0.00 H new ATOM 0 HA ASP A 131 107.240 -0.786 -15.720 1.00 0.00 H new ATOM 0 HB2 ASP A 131 106.588 1.586 -15.748 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.451 1.850 -17.250 1.00 0.00 H new TER 2110 ASP A 131