USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1016 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 10 MET CE :methyl -171:sc=-0.00306 (180deg=-0.0937) USER MOD Set 1.2: A 119 MET CE :methyl -172:sc= -0.0742 (180deg=-0.17) USER MOD Set 1.3: A 126 CYS SG : rot 161:sc= 0.137 USER MOD Set 1.4: A 128 GLN : amide:sc= -0.243 X(o=-0.18,f=-0.58) USER MOD Set 2.1: A 40 LYS NZ :NH3+ -140:sc= 0.636 (180deg=-0.505) USER MOD Set 2.2: A 108 GLN : amide:sc= 0.579 K(o=1.2,f=-4.7) USER MOD Set 3.1: A 94 GLN : amide:sc= 0.991 K(o=2.2,f=-0.37) USER MOD Set 3.2: A 107 THR OG1 : rot -40:sc= 1.24 USER MOD Set 4.1: A 44 GLN : amide:sc= 0.756 K(o=0.7,f=-3.5!) USER MOD Set 4.2: A 49 MET CE :methyl 172:sc= -0.0532 (180deg=-0.147) USER MOD Single : A 5 ASN : amide:sc= -0.192 K(o=-0.19,f=-4.5!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 29:sc= 0.391 USER MOD Single : A 13 ASN : amide:sc= 0.541 X(o=0.54,f=1) USER MOD Single : A 15 ASN : amide:sc= 0.442 K(o=0.44,f=-1.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0.632 K(o=0.63,f=-2.9!) USER MOD Single : A 31 LYS NZ :NH3+ -178:sc= 0.787 (180deg=0.782) USER MOD Single : A 34 ASN : amide:sc= 0.542 K(o=0.54,f=-4.5!) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0.748 (180deg=0.712) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0287 X(o=-0.029,f=-0.22) USER MOD Single : A 60 TYR OH : rot -84:sc= 0.786 USER MOD Single : A 62 MET CE :methyl -108:sc=-0.00094 (180deg=-0.0814) USER MOD Single : A 65 GLN :FLIP amide:sc= 0.55 F(o=-0.46,f=0.55) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 31:sc= 0.476 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 85:sc= 1.23 USER MOD Single : A 85 THR OG1 : rot 70:sc= 1.29 USER MOD Single : A 87 SER OG : rot 7:sc= 0.321 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -171:sc= -0.86 USER MOD Single : A 97 GLN : amide:sc= 0.188 K(o=0.19,f=-1.2) USER MOD Single : A 98 LYS NZ :NH3+ 163:sc= 0.659 (180deg=0.503) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 1.46 (180deg=1.31) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 150:sc= 0 USER MOD Single : A 127 LYS NZ :NH3+ -173:sc= 0.631 (180deg=0.605) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ -170:sc= 0.0503 (180deg=0.0322) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.572 -1.199 -0.161 1.00 0.00 N ATOM 20 CA PRO A 1 5.047 -1.329 -0.292 1.00 0.00 C ATOM 21 C PRO A 1 5.547 -2.200 -1.487 1.00 0.00 C ATOM 22 O PRO A 1 5.017 -3.279 -1.772 1.00 0.00 O ATOM 23 CB PRO A 1 5.429 -1.931 1.070 1.00 0.00 C ATOM 24 CG PRO A 1 4.214 -2.750 1.505 1.00 0.00 C ATOM 25 CD PRO A 1 3.025 -1.933 1.000 1.00 0.00 C ATOM 0 H2 PRO A 1 3.129 -1.543 -1.013 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.330 -0.212 -0.077 1.00 0.00 H new ATOM 0 HA PRO A 1 5.517 -0.373 -0.523 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.317 -2.558 0.988 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.657 -1.150 1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.228 -3.749 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.183 -2.875 2.587 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.192 -2.574 0.712 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.653 -1.252 1.765 1.00 0.00 H new ATOM 33 N VAL A 2 6.619 -1.737 -2.149 1.00 0.00 N ATOM 34 CA VAL A 2 7.261 -2.477 -3.277 1.00 0.00 C ATOM 35 C VAL A 2 8.121 -3.701 -2.801 1.00 0.00 C ATOM 36 O VAL A 2 8.686 -3.724 -1.701 1.00 0.00 O ATOM 37 CB VAL A 2 8.070 -1.514 -4.224 1.00 0.00 C ATOM 38 CG1 VAL A 2 7.190 -0.456 -4.928 1.00 0.00 C ATOM 39 CG2 VAL A 2 9.296 -0.818 -3.587 1.00 0.00 C ATOM 0 H VAL A 2 7.071 -0.849 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 2 6.446 -2.899 -3.866 1.00 0.00 H new ATOM 0 HB VAL A 2 8.457 -2.211 -4.967 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.814 0.172 -5.564 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.438 -0.956 -5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.696 0.163 -4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.778 -0.180 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.972 -0.212 -2.741 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.004 -1.572 -3.242 1.00 0.00 H new ATOM 49 N ASP A 3 8.257 -4.711 -3.678 1.00 0.00 N ATOM 50 CA ASP A 3 9.167 -5.863 -3.454 1.00 0.00 C ATOM 51 C ASP A 3 10.669 -5.465 -3.598 1.00 0.00 C ATOM 52 O ASP A 3 11.149 -5.165 -4.695 1.00 0.00 O ATOM 53 CB ASP A 3 8.762 -6.997 -4.438 1.00 0.00 C ATOM 54 CG ASP A 3 7.647 -7.901 -3.911 1.00 0.00 C ATOM 55 OD1 ASP A 3 6.456 -7.644 -4.053 1.00 0.00 O ATOM 56 OD2 ASP A 3 8.128 -9.002 -3.254 1.00 0.00 O ATOM 0 H ASP A 3 7.745 -4.758 -4.559 1.00 0.00 H new ATOM 0 HA ASP A 3 9.062 -6.216 -2.428 1.00 0.00 H new ATOM 0 HB2 ASP A 3 8.441 -6.551 -5.380 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.639 -7.607 -4.656 1.00 0.00 H new ATOM 62 N PHE A 4 11.418 -5.523 -2.483 1.00 0.00 N ATOM 63 CA PHE A 4 12.899 -5.313 -2.491 1.00 0.00 C ATOM 64 C PHE A 4 13.773 -6.525 -3.009 1.00 0.00 C ATOM 65 O PHE A 4 15.004 -6.447 -2.974 1.00 0.00 O ATOM 66 CB PHE A 4 13.319 -4.852 -1.058 1.00 0.00 C ATOM 67 CG PHE A 4 12.914 -3.470 -0.477 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.963 -2.617 -1.056 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.540 -3.067 0.710 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.667 -1.384 -0.480 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.238 -1.836 1.291 1.00 0.00 C ATOM 72 CZ PHE A 4 12.305 -0.997 0.693 1.00 0.00 C ATOM 0 H PHE A 4 11.033 -5.713 -1.558 1.00 0.00 H new ATOM 0 HA PHE A 4 13.110 -4.546 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.943 -5.605 -0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 4 14.407 -4.900 -1.021 1.00 0.00 H new ATOM 0 HD1 PHE A 4 11.454 -2.920 -1.959 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.264 -3.717 1.180 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.943 -0.730 -0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 4 13.729 -1.535 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.075 -0.042 1.141 1.00 0.00 H new ATOM 82 N ASN A 5 13.152 -7.606 -3.528 1.00 0.00 N ATOM 83 CA ASN A 5 13.807 -8.837 -4.040 1.00 0.00 C ATOM 84 C ASN A 5 14.917 -8.613 -5.120 1.00 0.00 C ATOM 85 O ASN A 5 14.616 -8.224 -6.254 1.00 0.00 O ATOM 86 CB ASN A 5 12.673 -9.733 -4.629 1.00 0.00 C ATOM 87 CG ASN A 5 11.563 -10.173 -3.665 1.00 0.00 C ATOM 88 OD1 ASN A 5 10.625 -9.438 -3.370 1.00 0.00 O ATOM 89 ND2 ASN A 5 11.652 -11.354 -3.122 1.00 0.00 N ATOM 0 H ASN A 5 12.136 -7.650 -3.607 1.00 0.00 H new ATOM 0 HA ASN A 5 14.336 -9.296 -3.205 1.00 0.00 H new ATOM 0 HB2 ASN A 5 12.210 -9.194 -5.456 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.132 -10.628 -5.049 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.945 -11.664 -2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 5 12.429 -11.969 -3.363 1.00 0.00 H new ATOM 96 N GLY A 6 16.186 -8.880 -4.771 1.00 0.00 N ATOM 97 CA GLY A 6 17.304 -8.745 -5.735 1.00 0.00 C ATOM 98 C GLY A 6 18.719 -8.684 -5.128 1.00 0.00 C ATOM 99 O GLY A 6 18.930 -8.694 -3.912 1.00 0.00 O ATOM 0 H GLY A 6 16.468 -9.188 -3.840 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.264 -9.586 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 6 17.143 -7.841 -6.322 1.00 0.00 H new ATOM 103 N TYR A 7 19.696 -8.601 -6.039 1.00 0.00 N ATOM 104 CA TYR A 7 21.131 -8.436 -5.694 1.00 0.00 C ATOM 105 C TYR A 7 21.578 -6.981 -6.049 1.00 0.00 C ATOM 106 O TYR A 7 21.422 -6.515 -7.184 1.00 0.00 O ATOM 107 CB TYR A 7 21.951 -9.530 -6.437 1.00 0.00 C ATOM 108 CG TYR A 7 23.320 -9.840 -5.803 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.424 -9.018 -6.051 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.473 -10.956 -4.973 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.658 -9.306 -5.475 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.705 -11.232 -4.381 1.00 0.00 C ATOM 113 CZ TYR A 7 25.795 -10.403 -4.630 1.00 0.00 C ATOM 114 OH TYR A 7 27.009 -10.665 -4.057 1.00 0.00 O ATOM 0 H TYR A 7 19.523 -8.646 -7.043 1.00 0.00 H new ATOM 0 HA TYR A 7 21.306 -8.569 -4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.363 -10.447 -6.470 1.00 0.00 H new ATOM 0 HB3 TYR A 7 22.105 -9.213 -7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.319 -8.156 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.632 -11.608 -4.790 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.511 -8.677 -5.684 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.813 -12.087 -3.731 1.00 0.00 H new ATOM 0 HH TYR A 7 26.939 -11.464 -3.494 1.00 0.00 H new ATOM 124 N TRP A 8 22.123 -6.276 -5.052 1.00 0.00 N ATOM 125 CA TRP A 8 22.378 -4.811 -5.114 1.00 0.00 C ATOM 126 C TRP A 8 23.911 -4.517 -4.960 1.00 0.00 C ATOM 127 O TRP A 8 24.597 -5.159 -4.156 1.00 0.00 O ATOM 128 CB TRP A 8 21.552 -4.146 -3.969 1.00 0.00 C ATOM 129 CG TRP A 8 20.017 -4.295 -4.033 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.250 -5.332 -3.450 1.00 0.00 C ATOM 131 CD2 TRP A 8 19.103 -3.484 -4.675 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.878 -5.200 -3.738 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.811 -4.041 -4.488 1.00 0.00 C ATOM 134 CE3 TRP A 8 19.268 -2.288 -5.415 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.678 -3.405 -5.039 1.00 0.00 C ATOM 136 CZ3 TRP A 8 18.132 -1.674 -5.945 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.857 -2.221 -5.759 1.00 0.00 C ATOM 0 H TRP A 8 22.406 -6.698 -4.168 1.00 0.00 H new ATOM 0 HA TRP A 8 22.073 -4.402 -6.077 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.893 -4.561 -3.021 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.789 -3.082 -3.955 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.668 -6.130 -2.855 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.114 -5.815 -3.459 1.00 0.00 H new ATOM 0 HE3 TRP A 8 20.249 -1.861 -5.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.692 -3.825 -4.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 18.239 -0.759 -6.509 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.998 -1.720 -6.179 1.00 0.00 H new ATOM 148 N LYS A 9 24.452 -3.540 -5.714 1.00 0.00 N ATOM 149 CA LYS A 9 25.886 -3.110 -5.615 1.00 0.00 C ATOM 150 C LYS A 9 26.017 -1.640 -5.119 1.00 0.00 C ATOM 151 O LYS A 9 25.335 -0.756 -5.644 1.00 0.00 O ATOM 152 CB LYS A 9 26.638 -3.348 -6.958 1.00 0.00 C ATOM 153 CG LYS A 9 26.284 -2.437 -8.164 1.00 0.00 C ATOM 154 CD LYS A 9 27.249 -2.609 -9.356 1.00 0.00 C ATOM 155 CE LYS A 9 26.859 -1.801 -10.610 1.00 0.00 C ATOM 156 NZ LYS A 9 27.075 -0.349 -10.429 1.00 0.00 N ATOM 0 H LYS A 9 23.920 -3.020 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 9 26.367 -3.734 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.706 -3.246 -6.765 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.465 -4.381 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.268 -2.657 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 9 26.296 -1.396 -7.841 1.00 0.00 H new ATOM 0 HD2 LYS A 9 28.250 -2.312 -9.044 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.298 -3.666 -9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.443 -2.150 -11.461 1.00 0.00 H new ATOM 0 HE3 LYS A 9 25.811 -1.984 -10.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.799 0.154 -11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 26.498 -0.009 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 28.080 -0.170 -10.229 1.00 0.00 H new ATOM 169 N MET A 10 26.898 -1.351 -4.142 1.00 0.00 N ATOM 170 CA MET A 10 27.032 0.022 -3.580 1.00 0.00 C ATOM 171 C MET A 10 27.707 1.035 -4.560 1.00 0.00 C ATOM 172 O MET A 10 28.842 0.854 -5.011 1.00 0.00 O ATOM 173 CB MET A 10 27.756 -0.062 -2.219 1.00 0.00 C ATOM 174 CG MET A 10 27.776 1.249 -1.407 1.00 0.00 C ATOM 175 SD MET A 10 28.731 1.013 0.097 1.00 0.00 S ATOM 176 CE MET A 10 27.534 0.140 1.113 1.00 0.00 C ATOM 0 H MET A 10 27.526 -2.038 -3.724 1.00 0.00 H new ATOM 0 HA MET A 10 26.031 0.427 -3.428 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.279 -0.836 -1.618 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.784 -0.381 -2.391 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.211 2.051 -2.003 1.00 0.00 H new ATOM 0 HG3 MET A 10 26.758 1.551 -1.160 1.00 0.00 H new ATOM 0 HE1 MET A 10 27.912 0.060 2.132 1.00 0.00 H new ATOM 0 HE2 MET A 10 26.592 0.688 1.117 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.371 -0.858 0.707 1.00 0.00 H new ATOM 186 N LEU A 11 26.991 2.134 -4.830 1.00 0.00 N ATOM 187 CA LEU A 11 27.538 3.317 -5.547 1.00 0.00 C ATOM 188 C LEU A 11 28.359 4.262 -4.604 1.00 0.00 C ATOM 189 O LEU A 11 29.505 4.594 -4.919 1.00 0.00 O ATOM 190 CB LEU A 11 26.361 4.072 -6.241 1.00 0.00 C ATOM 191 CG LEU A 11 25.533 3.326 -7.323 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.374 4.218 -7.802 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.376 2.887 -8.533 1.00 0.00 C ATOM 0 H LEU A 11 26.013 2.238 -4.561 1.00 0.00 H new ATOM 0 HA LEU A 11 28.244 2.973 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.671 4.397 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.770 4.972 -6.700 1.00 0.00 H new ATOM 0 HG LEU A 11 25.150 2.420 -6.854 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.797 3.689 -8.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.728 4.460 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 24.775 5.138 -8.227 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.739 2.372 -9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.820 3.764 -9.004 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.166 2.214 -8.201 1.00 0.00 H new ATOM 205 N SER A 12 27.778 4.702 -3.470 1.00 0.00 N ATOM 206 CA SER A 12 28.412 5.676 -2.544 1.00 0.00 C ATOM 207 C SER A 12 28.033 5.373 -1.068 1.00 0.00 C ATOM 208 O SER A 12 26.844 5.380 -0.727 1.00 0.00 O ATOM 209 CB SER A 12 27.971 7.112 -2.921 1.00 0.00 C ATOM 210 OG SER A 12 26.559 7.299 -2.772 1.00 0.00 O ATOM 0 H SER A 12 26.854 4.395 -3.165 1.00 0.00 H new ATOM 0 HA SER A 12 29.494 5.589 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.499 7.829 -2.293 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.257 7.319 -3.952 1.00 0.00 H new ATOM 0 HG SER A 12 26.224 6.710 -2.064 1.00 0.00 H new ATOM 216 N ASN A 13 29.040 5.197 -0.196 1.00 0.00 N ATOM 217 CA ASN A 13 28.849 5.201 1.285 1.00 0.00 C ATOM 218 C ASN A 13 29.331 6.559 1.897 1.00 0.00 C ATOM 219 O ASN A 13 30.520 6.776 2.149 1.00 0.00 O ATOM 220 CB ASN A 13 29.436 3.919 1.951 1.00 0.00 C ATOM 221 CG ASN A 13 30.872 3.451 1.668 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.113 2.313 1.286 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.866 4.275 1.866 1.00 0.00 N ATOM 0 H ASN A 13 30.007 5.048 -0.484 1.00 0.00 H new ATOM 0 HA ASN A 13 27.785 5.145 1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.355 4.057 3.029 1.00 0.00 H new ATOM 0 HB3 ASN A 13 28.776 3.094 1.685 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.824 3.967 1.702 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.684 5.227 2.184 1.00 0.00 H new ATOM 230 N GLU A 14 28.386 7.487 2.106 1.00 0.00 N ATOM 231 CA GLU A 14 28.672 8.888 2.514 1.00 0.00 C ATOM 232 C GLU A 14 28.466 9.037 4.053 1.00 0.00 C ATOM 233 O GLU A 14 27.412 8.672 4.587 1.00 0.00 O ATOM 234 CB GLU A 14 27.711 9.784 1.686 1.00 0.00 C ATOM 235 CG GLU A 14 27.929 11.313 1.824 1.00 0.00 C ATOM 236 CD GLU A 14 26.756 12.124 1.277 1.00 0.00 C ATOM 237 OE1 GLU A 14 26.566 12.345 0.085 1.00 0.00 O ATOM 238 OE2 GLU A 14 25.927 12.548 2.271 1.00 0.00 O ATOM 0 H GLU A 14 27.390 7.294 1.998 1.00 0.00 H new ATOM 0 HA GLU A 14 29.703 9.183 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.810 9.515 0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.687 9.554 1.979 1.00 0.00 H new ATOM 0 HG2 GLU A 14 28.080 11.562 2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.840 11.596 1.296 1.00 0.00 H new ATOM 246 N ASN A 15 29.478 9.564 4.776 1.00 0.00 N ATOM 247 CA ASN A 15 29.460 9.655 6.281 1.00 0.00 C ATOM 248 C ASN A 15 29.491 8.295 7.075 1.00 0.00 C ATOM 249 O ASN A 15 29.142 8.247 8.259 1.00 0.00 O ATOM 250 CB ASN A 15 28.333 10.654 6.705 1.00 0.00 C ATOM 251 CG ASN A 15 28.618 11.488 7.946 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.610 12.204 8.010 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.772 11.461 8.946 1.00 0.00 N ATOM 0 H ASN A 15 30.328 9.938 4.354 1.00 0.00 H new ATOM 0 HA ASN A 15 30.425 10.055 6.593 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.141 11.330 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.417 10.088 6.873 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.941 12.034 9.773 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.944 10.867 8.898 1.00 0.00 H new ATOM 260 N PHE A 16 29.998 7.211 6.451 1.00 0.00 N ATOM 261 CA PHE A 16 30.125 5.875 7.095 1.00 0.00 C ATOM 262 C PHE A 16 31.196 5.788 8.237 1.00 0.00 C ATOM 263 O PHE A 16 30.856 5.322 9.325 1.00 0.00 O ATOM 264 CB PHE A 16 30.266 4.829 5.948 1.00 0.00 C ATOM 265 CG PHE A 16 30.036 3.335 6.267 1.00 0.00 C ATOM 266 CD1 PHE A 16 29.073 2.905 7.191 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.738 2.375 5.528 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.859 1.548 7.411 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.508 1.017 5.734 1.00 0.00 C ATOM 270 CZ PHE A 16 29.578 0.604 6.684 1.00 0.00 C ATOM 0 H PHE A 16 30.332 7.231 5.487 1.00 0.00 H new ATOM 0 HA PHE A 16 29.226 5.652 7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.568 5.109 5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.270 4.927 5.534 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.492 3.634 7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.463 2.690 4.793 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.135 1.227 8.146 1.00 0.00 H new ATOM 0 HE2 PHE A 16 31.051 0.284 5.156 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.414 -0.449 6.857 1.00 0.00 H new ATOM 280 N GLU A 17 32.431 6.301 8.044 1.00 0.00 N ATOM 281 CA GLU A 17 33.443 6.508 9.131 1.00 0.00 C ATOM 282 C GLU A 17 32.947 7.088 10.501 1.00 0.00 C ATOM 283 O GLU A 17 33.215 6.471 11.538 1.00 0.00 O ATOM 284 CB GLU A 17 34.595 7.385 8.549 1.00 0.00 C ATOM 285 CG GLU A 17 35.782 6.603 7.937 1.00 0.00 C ATOM 286 CD GLU A 17 36.680 7.478 7.068 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.787 7.876 7.418 1.00 0.00 O ATOM 288 OE2 GLU A 17 36.096 7.777 5.870 1.00 0.00 O ATOM 0 H GLU A 17 32.767 6.589 7.125 1.00 0.00 H new ATOM 0 HA GLU A 17 33.763 5.505 9.414 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.179 8.039 7.782 1.00 0.00 H new ATOM 0 HB3 GLU A 17 34.976 8.027 9.343 1.00 0.00 H new ATOM 0 HG2 GLU A 17 36.375 6.165 8.740 1.00 0.00 H new ATOM 0 HG3 GLU A 17 35.397 5.777 7.338 1.00 0.00 H new ATOM 296 N GLU A 18 32.256 8.250 10.535 1.00 0.00 N ATOM 297 CA GLU A 18 31.709 8.796 11.820 1.00 0.00 C ATOM 298 C GLU A 18 30.427 8.098 12.390 1.00 0.00 C ATOM 299 O GLU A 18 30.297 8.003 13.613 1.00 0.00 O ATOM 300 CB GLU A 18 31.632 10.342 11.811 1.00 0.00 C ATOM 301 CG GLU A 18 30.700 10.980 10.766 1.00 0.00 C ATOM 302 CD GLU A 18 30.410 12.460 11.010 1.00 0.00 C ATOM 303 OE1 GLU A 18 29.321 12.876 11.396 1.00 0.00 O ATOM 304 OE2 GLU A 18 31.487 13.251 10.729 1.00 0.00 O ATOM 0 H GLU A 18 32.062 8.824 9.714 1.00 0.00 H new ATOM 0 HA GLU A 18 32.457 8.515 12.562 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.313 10.673 12.799 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.638 10.732 11.654 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.147 10.866 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 18 29.757 10.433 10.754 1.00 0.00 H new ATOM 312 N TYR A 19 29.520 7.552 11.555 1.00 0.00 N ATOM 313 CA TYR A 19 28.529 6.521 11.997 1.00 0.00 C ATOM 314 C TYR A 19 29.164 5.250 12.669 1.00 0.00 C ATOM 315 O TYR A 19 28.730 4.850 13.748 1.00 0.00 O ATOM 316 CB TYR A 19 27.637 6.207 10.764 1.00 0.00 C ATOM 317 CG TYR A 19 26.652 5.033 10.916 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.438 5.188 11.591 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.016 3.770 10.436 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.604 4.088 11.784 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.175 2.677 10.623 1.00 0.00 C ATOM 322 CZ TYR A 19 24.967 2.839 11.293 1.00 0.00 C ATOM 323 OH TYR A 19 24.136 1.768 11.481 1.00 0.00 O ATOM 0 H TYR A 19 29.445 7.801 10.569 1.00 0.00 H new ATOM 0 HA TYR A 19 27.923 6.918 12.812 1.00 0.00 H new ATOM 0 HB2 TYR A 19 27.067 7.102 10.517 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.288 6.000 9.915 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.146 6.159 11.963 1.00 0.00 H new ATOM 0 HD2 TYR A 19 27.955 3.643 9.918 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.672 4.206 12.317 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.460 1.705 10.249 1.00 0.00 H new ATOM 0 HH TYR A 19 24.535 0.969 11.077 1.00 0.00 H new ATOM 333 N LEU A 20 30.193 4.640 12.057 1.00 0.00 N ATOM 334 CA LEU A 20 30.995 3.559 12.693 1.00 0.00 C ATOM 335 C LEU A 20 31.742 3.978 14.014 1.00 0.00 C ATOM 336 O LEU A 20 31.692 3.225 14.990 1.00 0.00 O ATOM 337 CB LEU A 20 31.946 2.970 11.616 1.00 0.00 C ATOM 338 CG LEU A 20 31.315 2.259 10.384 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.366 2.032 9.286 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.666 0.913 10.738 1.00 0.00 C ATOM 0 H LEU A 20 30.498 4.874 11.112 1.00 0.00 H new ATOM 0 HA LEU A 20 30.308 2.790 13.046 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.573 3.781 11.246 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.606 2.257 12.110 1.00 0.00 H new ATOM 0 HG LEU A 20 30.532 2.925 10.023 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.901 1.534 8.435 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.772 2.992 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.171 1.409 9.676 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.243 0.465 9.839 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.419 0.245 11.157 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.874 1.072 11.470 1.00 0.00 H new ATOM 352 N ARG A 21 32.346 5.187 14.099 1.00 0.00 N ATOM 353 CA ARG A 21 32.755 5.813 15.400 1.00 0.00 C ATOM 354 C ARG A 21 31.626 5.887 16.494 1.00 0.00 C ATOM 355 O ARG A 21 31.829 5.417 17.616 1.00 0.00 O ATOM 356 CB ARG A 21 33.338 7.220 15.086 1.00 0.00 C ATOM 357 CG ARG A 21 34.140 7.901 16.218 1.00 0.00 C ATOM 358 CD ARG A 21 34.368 9.406 15.966 1.00 0.00 C ATOM 359 NE ARG A 21 35.390 9.673 14.913 1.00 0.00 N ATOM 360 CZ ARG A 21 36.683 9.916 15.138 1.00 0.00 C ATOM 361 NH1 ARG A 21 37.246 9.915 16.327 1.00 0.00 N ATOM 362 NH2 ARG A 21 37.444 10.170 14.109 1.00 0.00 N ATOM 0 H ARG A 21 32.566 5.758 13.283 1.00 0.00 H new ATOM 0 HA ARG A 21 33.503 5.163 15.854 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.985 7.134 14.213 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.514 7.877 14.809 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.610 7.771 17.162 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.105 7.404 16.323 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.424 9.867 15.674 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.680 9.881 16.896 1.00 0.00 H new ATOM 0 HE ARG A 21 35.075 9.670 13.943 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.686 9.719 17.156 1.00 0.00 H new ATOM 0 HH12 ARG A 21 38.243 10.110 16.419 1.00 0.00 H new ATOM 0 HH21 ARG A 21 37.046 10.178 13.170 1.00 0.00 H new ATOM 0 HH22 ARG A 21 38.437 10.360 14.244 1.00 0.00 H new ATOM 376 N ALA A 22 30.436 6.414 16.145 1.00 0.00 N ATOM 377 CA ALA A 22 29.213 6.329 16.988 1.00 0.00 C ATOM 378 C ALA A 22 28.704 4.906 17.398 1.00 0.00 C ATOM 379 O ALA A 22 28.072 4.789 18.449 1.00 0.00 O ATOM 380 CB ALA A 22 28.120 7.109 16.233 1.00 0.00 C ATOM 0 H ALA A 22 30.289 6.914 15.268 1.00 0.00 H new ATOM 0 HA ALA A 22 29.473 6.751 17.959 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.193 7.082 16.805 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.436 8.144 16.102 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.957 6.653 15.256 1.00 0.00 H new ATOM 386 N LEU A 23 28.999 3.833 16.635 1.00 0.00 N ATOM 387 CA LEU A 23 28.770 2.430 17.092 1.00 0.00 C ATOM 388 C LEU A 23 29.949 1.777 17.904 1.00 0.00 C ATOM 389 O LEU A 23 29.913 0.569 18.159 1.00 0.00 O ATOM 390 CB LEU A 23 28.411 1.585 15.836 1.00 0.00 C ATOM 391 CG LEU A 23 27.112 1.945 15.061 1.00 0.00 C ATOM 392 CD1 LEU A 23 26.998 1.074 13.804 1.00 0.00 C ATOM 393 CD2 LEU A 23 25.836 1.785 15.902 1.00 0.00 C ATOM 0 H LEU A 23 29.397 3.903 15.698 1.00 0.00 H new ATOM 0 HA LEU A 23 27.956 2.453 17.816 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.246 1.653 15.138 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.337 0.542 16.145 1.00 0.00 H new ATOM 0 HG LEU A 23 27.193 2.999 14.797 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.086 1.331 13.265 1.00 0.00 H new ATOM 0 HD12 LEU A 23 27.861 1.248 13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.966 0.023 14.091 1.00 0.00 H new ATOM 0 HD21 LEU A 23 24.968 2.053 15.300 1.00 0.00 H new ATOM 0 HD22 LEU A 23 25.744 0.750 16.231 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.890 2.439 16.772 1.00 0.00 H new ATOM 405 N ASP A 24 30.988 2.542 18.316 1.00 0.00 N ATOM 406 CA ASP A 24 32.235 2.002 18.946 1.00 0.00 C ATOM 407 C ASP A 24 33.068 1.005 18.059 1.00 0.00 C ATOM 408 O ASP A 24 33.583 -0.007 18.545 1.00 0.00 O ATOM 409 CB ASP A 24 31.956 1.502 20.396 1.00 0.00 C ATOM 410 CG ASP A 24 31.682 2.602 21.421 1.00 0.00 C ATOM 411 OD1 ASP A 24 32.531 3.399 21.806 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.399 2.592 21.877 1.00 0.00 O ATOM 0 H ASP A 24 30.993 3.558 18.224 1.00 0.00 H new ATOM 0 HA ASP A 24 32.920 2.846 19.023 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.100 0.828 20.372 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.812 0.918 20.733 1.00 0.00 H new ATOM 418 N VAL A 25 33.253 1.329 16.765 1.00 0.00 N ATOM 419 CA VAL A 25 34.064 0.496 15.822 1.00 0.00 C ATOM 420 C VAL A 25 35.534 1.039 15.787 1.00 0.00 C ATOM 421 O VAL A 25 35.776 2.251 15.736 1.00 0.00 O ATOM 422 CB VAL A 25 33.378 0.458 14.411 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.153 -0.342 13.338 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.944 -0.130 14.439 1.00 0.00 C ATOM 0 H VAL A 25 32.854 2.164 16.336 1.00 0.00 H new ATOM 0 HA VAL A 25 34.112 -0.538 16.165 1.00 0.00 H new ATOM 0 HB VAL A 25 33.362 1.514 14.141 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.605 -0.314 12.396 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.140 0.100 13.197 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.262 -1.377 13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.530 -0.126 13.431 1.00 0.00 H new ATOM 0 HG22 VAL A 25 31.977 -1.153 14.814 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.315 0.475 15.092 1.00 0.00 H new ATOM 434 N ASN A 26 36.526 0.128 15.774 1.00 0.00 N ATOM 435 CA ASN A 26 37.969 0.500 15.711 1.00 0.00 C ATOM 436 C ASN A 26 38.413 1.241 14.400 1.00 0.00 C ATOM 437 O ASN A 26 37.870 1.000 13.318 1.00 0.00 O ATOM 438 CB ASN A 26 38.826 -0.763 16.020 1.00 0.00 C ATOM 439 CG ASN A 26 38.881 -1.860 14.942 1.00 0.00 C ATOM 440 OD1 ASN A 26 39.515 -1.715 13.903 1.00 0.00 O ATOM 441 ND2 ASN A 26 38.239 -2.984 15.144 1.00 0.00 N ATOM 0 H ASN A 26 36.362 -0.878 15.806 1.00 0.00 H new ATOM 0 HA ASN A 26 38.142 1.257 16.476 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.846 -0.437 16.222 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.447 -1.211 16.938 1.00 0.00 H new ATOM 0 HD21 ASN A 26 38.271 -3.723 14.442 1.00 0.00 H new ATOM 0 HD22 ASN A 26 37.707 -3.120 16.004 1.00 0.00 H new ATOM 448 N VAL A 27 39.439 2.108 14.500 1.00 0.00 N ATOM 449 CA VAL A 27 39.948 2.929 13.348 1.00 0.00 C ATOM 450 C VAL A 27 40.394 2.112 12.077 1.00 0.00 C ATOM 451 O VAL A 27 40.063 2.524 10.962 1.00 0.00 O ATOM 452 CB VAL A 27 40.993 3.984 13.866 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.638 4.844 12.750 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.396 4.990 14.887 1.00 0.00 C ATOM 0 H VAL A 27 39.946 2.270 15.370 1.00 0.00 H new ATOM 0 HA VAL A 27 39.098 3.479 12.945 1.00 0.00 H new ATOM 0 HB VAL A 27 41.747 3.350 14.333 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.345 5.545 13.194 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.162 4.195 12.048 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.861 5.398 12.223 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.170 5.689 15.204 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.579 5.540 14.421 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.020 4.448 15.755 1.00 0.00 H new ATOM 464 N ALA A 28 41.072 0.954 12.220 1.00 0.00 N ATOM 465 CA ALA A 28 41.319 0.018 11.086 1.00 0.00 C ATOM 466 C ALA A 28 40.040 -0.508 10.346 1.00 0.00 C ATOM 467 O ALA A 28 39.935 -0.322 9.131 1.00 0.00 O ATOM 468 CB ALA A 28 42.219 -1.115 11.616 1.00 0.00 C ATOM 0 H ALA A 28 41.462 0.638 13.108 1.00 0.00 H new ATOM 0 HA ALA A 28 41.817 0.574 10.292 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.423 -1.823 10.813 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.158 -0.695 11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.713 -1.629 12.433 1.00 0.00 H new ATOM 474 N LEU A 29 39.051 -1.093 11.054 1.00 0.00 N ATOM 475 CA LEU A 29 37.727 -1.446 10.458 1.00 0.00 C ATOM 476 C LEU A 29 36.857 -0.244 9.941 1.00 0.00 C ATOM 477 O LEU A 29 36.264 -0.370 8.867 1.00 0.00 O ATOM 478 CB LEU A 29 36.998 -2.396 11.449 1.00 0.00 C ATOM 479 CG LEU A 29 35.673 -3.055 10.974 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.814 -3.853 9.663 1.00 0.00 C ATOM 481 CD2 LEU A 29 35.134 -3.999 12.062 1.00 0.00 C ATOM 0 H LEU A 29 39.136 -1.335 12.041 1.00 0.00 H new ATOM 0 HA LEU A 29 37.909 -1.965 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.690 -3.193 11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.786 -1.834 12.358 1.00 0.00 H new ATOM 0 HG LEU A 29 34.983 -2.233 10.785 1.00 0.00 H new ATOM 0 HD11 LEU A 29 34.850 -4.284 9.394 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.149 -3.188 8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.543 -4.652 9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 29 34.205 -4.456 11.720 1.00 0.00 H new ATOM 0 HD22 LEU A 29 35.869 -4.778 12.264 1.00 0.00 H new ATOM 0 HD23 LEU A 29 34.945 -3.433 12.974 1.00 0.00 H new ATOM 493 N ARG A 30 36.825 0.920 10.625 1.00 0.00 N ATOM 494 CA ARG A 30 36.328 2.208 10.041 1.00 0.00 C ATOM 495 C ARG A 30 36.924 2.599 8.643 1.00 0.00 C ATOM 496 O ARG A 30 36.163 2.860 7.705 1.00 0.00 O ATOM 497 CB ARG A 30 36.568 3.363 11.049 1.00 0.00 C ATOM 498 CG ARG A 30 35.725 3.367 12.348 1.00 0.00 C ATOM 499 CD ARG A 30 36.074 4.506 13.328 1.00 0.00 C ATOM 500 NE ARG A 30 35.800 5.848 12.746 1.00 0.00 N ATOM 501 CZ ARG A 30 36.709 6.721 12.320 1.00 0.00 C ATOM 502 NH1 ARG A 30 38.009 6.541 12.385 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.275 7.830 11.791 1.00 0.00 N ATOM 0 H ARG A 30 37.138 1.005 11.592 1.00 0.00 H new ATOM 0 HA ARG A 30 35.266 2.043 9.859 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.621 3.349 11.332 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.390 4.305 10.530 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.670 3.442 12.083 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.858 2.412 12.857 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.497 4.384 14.245 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.127 4.438 13.602 1.00 0.00 H new ATOM 0 HE ARG A 30 34.822 6.125 12.666 1.00 0.00 H new ATOM 0 HH11 ARG A 30 38.385 5.681 12.785 1.00 0.00 H new ATOM 0 HH12 ARG A 30 38.642 7.261 12.036 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.272 8.001 11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.938 8.527 11.451 1.00 0.00 H new ATOM 517 N LYS A 31 38.264 2.610 8.502 1.00 0.00 N ATOM 518 CA LYS A 31 38.949 2.802 7.192 1.00 0.00 C ATOM 519 C LYS A 31 38.687 1.666 6.149 1.00 0.00 C ATOM 520 O LYS A 31 38.310 1.976 5.019 1.00 0.00 O ATOM 521 CB LYS A 31 40.472 3.027 7.428 1.00 0.00 C ATOM 522 CG LYS A 31 40.896 4.291 8.218 1.00 0.00 C ATOM 523 CD LYS A 31 40.611 5.624 7.500 1.00 0.00 C ATOM 524 CE LYS A 31 41.031 6.833 8.351 1.00 0.00 C ATOM 525 NZ LYS A 31 40.708 8.079 7.630 1.00 0.00 N ATOM 0 H LYS A 31 38.907 2.487 9.284 1.00 0.00 H new ATOM 0 HA LYS A 31 38.510 3.690 6.737 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.863 2.156 7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.962 3.059 6.455 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.380 4.293 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.963 4.229 8.430 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.144 5.646 6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.548 5.693 7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.515 6.812 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 31 42.099 6.789 8.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 41.023 8.896 8.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 41.192 8.083 6.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 39.680 8.137 7.481 1.00 0.00 H new ATOM 538 N ILE A 32 38.832 0.372 6.509 1.00 0.00 N ATOM 539 CA ILE A 32 38.526 -0.782 5.599 1.00 0.00 C ATOM 540 C ILE A 32 37.037 -0.790 5.089 1.00 0.00 C ATOM 541 O ILE A 32 36.820 -0.856 3.877 1.00 0.00 O ATOM 542 CB ILE A 32 39.006 -2.130 6.261 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.549 -2.191 6.498 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.591 -3.390 5.454 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.011 -3.238 7.530 1.00 0.00 C ATOM 0 H ILE A 32 39.162 0.086 7.431 1.00 0.00 H new ATOM 0 HA ILE A 32 39.099 -0.662 4.680 1.00 0.00 H new ATOM 0 HB ILE A 32 38.497 -2.135 7.225 1.00 0.00 H new ATOM 0 HG12 ILE A 32 41.039 -2.400 5.547 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.890 -1.208 6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 32 38.952 -4.284 5.963 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.505 -3.431 5.376 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.025 -3.342 4.455 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.096 -3.202 7.623 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.556 -3.021 8.497 1.00 0.00 H new ATOM 0 HD13 ILE A 32 40.708 -4.232 7.201 1.00 0.00 H new ATOM 557 N ALA A 33 36.029 -0.701 5.978 1.00 0.00 N ATOM 558 CA ALA A 33 34.602 -0.604 5.570 1.00 0.00 C ATOM 559 C ALA A 33 34.161 0.662 4.766 1.00 0.00 C ATOM 560 O ALA A 33 33.338 0.526 3.860 1.00 0.00 O ATOM 561 CB ALA A 33 33.770 -0.821 6.847 1.00 0.00 C ATOM 0 H ALA A 33 36.171 -0.694 6.988 1.00 0.00 H new ATOM 0 HA ALA A 33 34.427 -1.374 4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.709 -0.760 6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.991 -1.804 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.020 -0.053 7.579 1.00 0.00 H new ATOM 567 N ASN A 34 34.708 1.863 5.039 1.00 0.00 N ATOM 568 CA ASN A 34 34.525 3.047 4.146 1.00 0.00 C ATOM 569 C ASN A 34 35.303 3.009 2.782 1.00 0.00 C ATOM 570 O ASN A 34 34.808 3.580 1.806 1.00 0.00 O ATOM 571 CB ASN A 34 34.820 4.318 4.995 1.00 0.00 C ATOM 572 CG ASN A 34 34.260 5.683 4.557 1.00 0.00 C ATOM 573 OD1 ASN A 34 33.795 6.472 5.375 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.359 6.088 3.316 1.00 0.00 N ATOM 0 H ASN A 34 35.279 2.048 5.864 1.00 0.00 H new ATOM 0 HA ASN A 34 33.493 3.047 3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.454 4.126 6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.903 4.419 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.055 7.028 3.060 1.00 0.00 H new ATOM 0 HD22 ASN A 34 34.740 5.464 2.605 1.00 0.00 H new ATOM 581 N LEU A 35 36.483 2.370 2.697 1.00 0.00 N ATOM 582 CA LEU A 35 37.186 2.127 1.398 1.00 0.00 C ATOM 583 C LEU A 35 36.550 1.018 0.488 1.00 0.00 C ATOM 584 O LEU A 35 36.583 1.150 -0.738 1.00 0.00 O ATOM 585 CB LEU A 35 38.689 1.825 1.677 1.00 0.00 C ATOM 586 CG LEU A 35 39.564 2.996 2.205 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.910 2.465 2.730 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.822 4.071 1.133 1.00 0.00 C ATOM 0 H LEU A 35 36.982 2.006 3.509 1.00 0.00 H new ATOM 0 HA LEU A 35 37.075 3.043 0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.741 1.012 2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.137 1.459 0.753 1.00 0.00 H new ATOM 0 HG LEU A 35 39.005 3.463 3.016 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.511 3.297 3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.731 1.761 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.442 1.960 1.923 1.00 0.00 H new ATOM 0 HD21 LEU A 35 40.438 4.865 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 35 40.339 3.622 0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.872 4.487 0.799 1.00 0.00 H new ATOM 600 N LEU A 36 35.990 -0.060 1.066 1.00 0.00 N ATOM 601 CA LEU A 36 35.275 -1.121 0.302 1.00 0.00 C ATOM 602 C LEU A 36 33.792 -0.728 0.010 1.00 0.00 C ATOM 603 O LEU A 36 33.108 -0.145 0.856 1.00 0.00 O ATOM 604 CB LEU A 36 35.331 -2.451 1.111 1.00 0.00 C ATOM 605 CG LEU A 36 36.715 -3.142 1.259 1.00 0.00 C ATOM 606 CD1 LEU A 36 36.629 -4.267 2.301 1.00 0.00 C ATOM 607 CD2 LEU A 36 37.237 -3.725 -0.067 1.00 0.00 C ATOM 0 H LEU A 36 36.015 -0.228 2.072 1.00 0.00 H new ATOM 0 HA LEU A 36 35.770 -1.246 -0.661 1.00 0.00 H new ATOM 0 HB2 LEU A 36 34.945 -2.253 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 36 34.649 -3.160 0.641 1.00 0.00 H new ATOM 0 HG LEU A 36 37.417 -2.372 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 36 37.603 -4.747 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 36 36.331 -3.850 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 36 35.892 -5.004 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 36 38.207 -4.195 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 36 36.533 -4.469 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.342 -2.925 -0.800 1.00 0.00 H new ATOM 619 N LYS A 37 33.280 -1.108 -1.174 1.00 0.00 N ATOM 620 CA LYS A 37 31.855 -0.877 -1.553 1.00 0.00 C ATOM 621 C LYS A 37 31.064 -2.237 -1.492 1.00 0.00 C ATOM 622 O LYS A 37 31.002 -2.919 -2.522 1.00 0.00 O ATOM 623 CB LYS A 37 31.817 -0.180 -2.950 1.00 0.00 C ATOM 624 CG LYS A 37 32.365 1.268 -3.031 1.00 0.00 C ATOM 625 CD LYS A 37 31.486 2.332 -2.334 1.00 0.00 C ATOM 626 CE LYS A 37 32.125 3.730 -2.253 1.00 0.00 C ATOM 627 NZ LYS A 37 32.118 4.425 -3.556 1.00 0.00 N ATOM 0 H LYS A 37 33.826 -1.579 -1.895 1.00 0.00 H new ATOM 0 HA LYS A 37 31.356 -0.209 -0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.382 -0.795 -3.651 1.00 0.00 H new ATOM 0 HB3 LYS A 37 30.783 -0.170 -3.295 1.00 0.00 H new ATOM 0 HG2 LYS A 37 33.360 1.291 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.478 1.541 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.539 2.409 -2.867 1.00 0.00 H new ATOM 0 HD3 LYS A 37 31.257 1.992 -1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.587 4.331 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.152 3.638 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 32.432 5.408 -3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 32.762 3.939 -4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 31.155 4.418 -3.948 1.00 0.00 H new ATOM 640 N PRO A 38 30.456 -2.695 -0.349 1.00 0.00 N ATOM 641 CA PRO A 38 29.795 -4.030 -0.274 1.00 0.00 C ATOM 642 C PRO A 38 28.429 -4.164 -1.023 1.00 0.00 C ATOM 643 O PRO A 38 27.793 -3.191 -1.438 1.00 0.00 O ATOM 644 CB PRO A 38 29.700 -4.248 1.255 1.00 0.00 C ATOM 645 CG PRO A 38 29.635 -2.851 1.864 1.00 0.00 C ATOM 646 CD PRO A 38 30.569 -2.037 0.971 1.00 0.00 C ATOM 0 HA PRO A 38 30.360 -4.798 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.816 -4.830 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.564 -4.798 1.627 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.620 -2.454 1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.967 -2.848 2.902 1.00 0.00 H new ATOM 0 HD2 PRO A 38 30.267 -0.991 0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.594 -2.056 1.341 1.00 0.00 H new ATOM 654 N ASP A 39 27.987 -5.415 -1.192 1.00 0.00 N ATOM 655 CA ASP A 39 26.683 -5.749 -1.825 1.00 0.00 C ATOM 656 C ASP A 39 25.569 -6.045 -0.771 1.00 0.00 C ATOM 657 O ASP A 39 25.835 -6.485 0.351 1.00 0.00 O ATOM 658 CB ASP A 39 26.891 -6.977 -2.757 1.00 0.00 C ATOM 659 CG ASP A 39 27.649 -6.695 -4.050 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.837 -6.956 -4.212 1.00 0.00 O ATOM 661 OD2 ASP A 39 26.841 -6.152 -5.008 1.00 0.00 O ATOM 0 H ASP A 39 28.517 -6.235 -0.896 1.00 0.00 H new ATOM 0 HA ASP A 39 26.343 -4.886 -2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.427 -7.747 -2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.914 -7.389 -3.011 1.00 0.00 H new ATOM 667 N LYS A 40 24.300 -5.861 -1.170 1.00 0.00 N ATOM 668 CA LYS A 40 23.138 -6.413 -0.418 1.00 0.00 C ATOM 669 C LYS A 40 22.377 -7.430 -1.318 1.00 0.00 C ATOM 670 O LYS A 40 21.863 -7.069 -2.378 1.00 0.00 O ATOM 671 CB LYS A 40 22.206 -5.284 0.106 1.00 0.00 C ATOM 672 CG LYS A 40 22.660 -4.656 1.444 1.00 0.00 C ATOM 673 CD LYS A 40 21.596 -3.717 2.048 1.00 0.00 C ATOM 674 CE LYS A 40 21.970 -3.238 3.462 1.00 0.00 C ATOM 675 NZ LYS A 40 20.768 -2.768 4.180 1.00 0.00 N ATOM 0 H LYS A 40 24.043 -5.337 -2.006 1.00 0.00 H new ATOM 0 HA LYS A 40 23.503 -6.938 0.465 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.145 -4.499 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.201 -5.686 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 40 22.885 -5.450 2.156 1.00 0.00 H new ATOM 0 HG3 LYS A 40 23.583 -4.099 1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 40 21.467 -2.852 1.397 1.00 0.00 H new ATOM 0 HD3 LYS A 40 20.637 -4.235 2.084 1.00 0.00 H new ATOM 0 HE2 LYS A 40 22.438 -4.051 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 22.702 -2.433 3.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 21.002 -1.915 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 20.019 -2.545 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 20.436 -3.513 4.825 1.00 0.00 H new ATOM 688 N GLU A 41 22.250 -8.694 -0.880 1.00 0.00 N ATOM 689 CA GLU A 41 21.223 -9.622 -1.431 1.00 0.00 C ATOM 690 C GLU A 41 19.962 -9.566 -0.518 1.00 0.00 C ATOM 691 O GLU A 41 19.994 -10.039 0.623 1.00 0.00 O ATOM 692 CB GLU A 41 21.806 -11.049 -1.559 1.00 0.00 C ATOM 693 CG GLU A 41 20.902 -12.041 -2.336 1.00 0.00 C ATOM 694 CD GLU A 41 21.407 -13.479 -2.254 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.447 -13.871 -2.774 1.00 0.00 O ATOM 696 OE2 GLU A 41 20.587 -14.266 -1.504 1.00 0.00 O ATOM 0 H GLU A 41 22.836 -9.103 -0.152 1.00 0.00 H new ATOM 0 HA GLU A 41 20.928 -9.319 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.773 -10.990 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.986 -11.446 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.888 -11.992 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.849 -11.737 -3.381 1.00 0.00 H new ATOM 704 N ILE A 42 18.864 -8.981 -1.021 1.00 0.00 N ATOM 705 CA ILE A 42 17.586 -8.877 -0.259 1.00 0.00 C ATOM 706 C ILE A 42 16.621 -9.972 -0.813 1.00 0.00 C ATOM 707 O ILE A 42 16.230 -9.935 -1.984 1.00 0.00 O ATOM 708 CB ILE A 42 16.974 -7.429 -0.293 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.960 -6.340 0.229 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.644 -7.376 0.513 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.505 -4.877 0.104 1.00 0.00 C ATOM 0 H ILE A 42 18.824 -8.569 -1.953 1.00 0.00 H new ATOM 0 HA ILE A 42 17.766 -9.056 0.801 1.00 0.00 H new ATOM 0 HB ILE A 42 16.774 -7.203 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.166 -6.543 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.903 -6.450 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.237 -6.366 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.927 -8.072 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.835 -7.653 1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.279 -4.220 0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.331 -4.639 -0.945 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.583 -4.734 0.667 1.00 0.00 H new ATOM 723 N VAL A 43 16.207 -10.911 0.053 1.00 0.00 N ATOM 724 CA VAL A 43 15.155 -11.916 -0.283 1.00 0.00 C ATOM 725 C VAL A 43 13.898 -11.572 0.585 1.00 0.00 C ATOM 726 O VAL A 43 13.795 -11.994 1.740 1.00 0.00 O ATOM 727 CB VAL A 43 15.686 -13.384 -0.111 1.00 0.00 C ATOM 728 CG1 VAL A 43 14.623 -14.452 -0.464 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.948 -13.707 -0.949 1.00 0.00 C ATOM 0 H VAL A 43 16.580 -11.005 0.998 1.00 0.00 H new ATOM 0 HA VAL A 43 14.871 -11.866 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 43 15.939 -13.428 0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 43 15.047 -15.447 -0.326 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.757 -14.333 0.188 1.00 0.00 H new ATOM 0 HG13 VAL A 43 14.315 -14.329 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 43 17.248 -14.740 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 43 16.727 -13.570 -2.007 1.00 0.00 H new ATOM 0 HG23 VAL A 43 17.759 -13.039 -0.658 1.00 0.00 H new ATOM 739 N GLN A 44 12.942 -10.811 0.015 1.00 0.00 N ATOM 740 CA GLN A 44 11.629 -10.519 0.659 1.00 0.00 C ATOM 741 C GLN A 44 10.587 -11.631 0.297 1.00 0.00 C ATOM 742 O GLN A 44 9.981 -11.605 -0.780 1.00 0.00 O ATOM 743 CB GLN A 44 11.212 -9.089 0.212 1.00 0.00 C ATOM 744 CG GLN A 44 9.908 -8.542 0.854 1.00 0.00 C ATOM 745 CD GLN A 44 9.470 -7.166 0.326 1.00 0.00 C ATOM 746 OE1 GLN A 44 10.265 -6.266 0.074 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.192 -6.935 0.147 1.00 0.00 N ATOM 0 H GLN A 44 13.050 -10.379 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 44 11.690 -10.535 1.747 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.026 -8.403 0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.092 -9.086 -0.871 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.104 -9.257 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.048 -8.476 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.509 -7.665 0.348 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.881 -6.025 -0.194 1.00 0.00 H new ATOM 756 N ASP A 45 10.391 -12.611 1.193 1.00 0.00 N ATOM 757 CA ASP A 45 9.482 -13.768 0.959 1.00 0.00 C ATOM 758 C ASP A 45 8.287 -13.720 1.965 1.00 0.00 C ATOM 759 O ASP A 45 8.361 -14.284 3.060 1.00 0.00 O ATOM 760 CB ASP A 45 10.360 -15.047 1.054 1.00 0.00 C ATOM 761 CG ASP A 45 9.646 -16.342 0.665 1.00 0.00 C ATOM 762 OD1 ASP A 45 9.014 -16.489 -0.376 1.00 0.00 O ATOM 763 OD2 ASP A 45 9.795 -17.319 1.601 1.00 0.00 O ATOM 0 H ASP A 45 10.853 -12.633 2.102 1.00 0.00 H new ATOM 0 HA ASP A 45 9.013 -13.750 -0.025 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.232 -14.922 0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.728 -15.144 2.075 1.00 0.00 H new ATOM 769 N GLY A 46 7.189 -13.028 1.593 1.00 0.00 N ATOM 770 CA GLY A 46 5.967 -12.923 2.448 1.00 0.00 C ATOM 771 C GLY A 46 6.159 -12.325 3.861 1.00 0.00 C ATOM 772 O GLY A 46 6.094 -13.059 4.846 1.00 0.00 O ATOM 0 H GLY A 46 7.115 -12.530 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.232 -12.317 1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.540 -13.920 2.555 1.00 0.00 H new ATOM 776 N ASP A 47 6.484 -11.025 3.937 1.00 0.00 N ATOM 777 CA ASP A 47 7.016 -10.365 5.174 1.00 0.00 C ATOM 778 C ASP A 47 8.414 -10.816 5.745 1.00 0.00 C ATOM 779 O ASP A 47 9.066 -10.008 6.403 1.00 0.00 O ATOM 780 CB ASP A 47 5.924 -10.055 6.242 1.00 0.00 C ATOM 781 CG ASP A 47 5.513 -11.177 7.195 1.00 0.00 C ATOM 782 OD1 ASP A 47 4.454 -11.791 7.120 1.00 0.00 O ATOM 783 OD2 ASP A 47 6.456 -11.400 8.150 1.00 0.00 O ATOM 0 H ASP A 47 6.391 -10.386 3.147 1.00 0.00 H new ATOM 0 HA ASP A 47 7.324 -9.402 4.767 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.275 -9.217 6.844 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.030 -9.718 5.717 1.00 0.00 H new ATOM 789 N HIS A 48 8.902 -12.046 5.506 1.00 0.00 N ATOM 790 CA HIS A 48 10.264 -12.490 5.917 1.00 0.00 C ATOM 791 C HIS A 48 11.353 -11.938 4.946 1.00 0.00 C ATOM 792 O HIS A 48 11.449 -12.345 3.786 1.00 0.00 O ATOM 793 CB HIS A 48 10.269 -14.037 6.066 1.00 0.00 C ATOM 794 CG HIS A 48 11.551 -14.685 6.610 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.946 -15.962 6.241 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.448 -14.153 7.562 1.00 0.00 C ATOM 797 CE1 HIS A 48 13.071 -16.084 7.016 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.457 -15.056 7.835 1.00 0.00 N ATOM 0 H HIS A 48 8.369 -12.769 5.022 1.00 0.00 H new ATOM 0 HA HIS A 48 10.522 -12.073 6.891 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.445 -14.316 6.722 1.00 0.00 H new ATOM 0 HB3 HIS A 48 10.059 -14.471 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.358 -13.176 8.014 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.654 -16.993 6.980 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.257 -14.980 8.463 1.00 0.00 H new ATOM 806 N MET A 49 12.156 -10.986 5.442 1.00 0.00 N ATOM 807 CA MET A 49 13.184 -10.284 4.647 1.00 0.00 C ATOM 808 C MET A 49 14.597 -10.725 5.121 1.00 0.00 C ATOM 809 O MET A 49 15.015 -10.452 6.253 1.00 0.00 O ATOM 810 CB MET A 49 12.914 -8.768 4.786 1.00 0.00 C ATOM 811 CG MET A 49 13.652 -7.902 3.748 1.00 0.00 C ATOM 812 SD MET A 49 13.287 -6.161 4.031 1.00 0.00 S ATOM 813 CE MET A 49 11.668 -6.003 3.255 1.00 0.00 C ATOM 0 H MET A 49 12.113 -10.676 6.413 1.00 0.00 H new ATOM 0 HA MET A 49 13.140 -10.536 3.587 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.842 -8.591 4.696 1.00 0.00 H new ATOM 0 HB3 MET A 49 13.207 -8.447 5.786 1.00 0.00 H new ATOM 0 HG2 MET A 49 14.726 -8.073 3.817 1.00 0.00 H new ATOM 0 HG3 MET A 49 13.348 -8.187 2.741 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.254 -5.019 3.475 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.768 -6.122 2.176 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.001 -6.772 3.644 1.00 0.00 H new ATOM 823 N ILE A 50 15.326 -11.414 4.230 1.00 0.00 N ATOM 824 CA ILE A 50 16.732 -11.836 4.487 1.00 0.00 C ATOM 825 C ILE A 50 17.648 -10.812 3.746 1.00 0.00 C ATOM 826 O ILE A 50 17.809 -10.895 2.524 1.00 0.00 O ATOM 827 CB ILE A 50 16.965 -13.337 4.081 1.00 0.00 C ATOM 828 CG1 ILE A 50 16.041 -14.350 4.830 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.445 -13.767 4.269 1.00 0.00 C ATOM 830 CD1 ILE A 50 15.894 -15.720 4.142 1.00 0.00 C ATOM 0 H ILE A 50 14.972 -11.697 3.316 1.00 0.00 H new ATOM 0 HA ILE A 50 16.977 -11.818 5.549 1.00 0.00 H new ATOM 0 HB ILE A 50 16.702 -13.373 3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.434 -14.504 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.052 -13.906 4.939 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.561 -14.811 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.087 -13.143 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.728 -13.650 5.315 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.235 -16.356 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.470 -15.584 3.147 1.00 0.00 H new ATOM 0 HD13 ILE A 50 16.873 -16.191 4.057 1.00 0.00 H new ATOM 842 N ILE A 51 18.250 -9.864 4.487 1.00 0.00 N ATOM 843 CA ILE A 51 19.229 -8.889 3.919 1.00 0.00 C ATOM 844 C ILE A 51 20.661 -9.462 4.182 1.00 0.00 C ATOM 845 O ILE A 51 21.175 -9.377 5.302 1.00 0.00 O ATOM 846 CB ILE A 51 19.034 -7.433 4.488 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.592 -6.860 4.322 1.00 0.00 C ATOM 848 CG2 ILE A 51 20.081 -6.461 3.879 1.00 0.00 C ATOM 849 CD1 ILE A 51 17.328 -5.470 4.936 1.00 0.00 C ATOM 0 H ILE A 51 18.082 -9.744 5.486 1.00 0.00 H new ATOM 0 HA ILE A 51 19.069 -8.777 2.847 1.00 0.00 H new ATOM 0 HB ILE A 51 19.192 -7.519 5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.365 -6.811 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.891 -7.567 4.765 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.929 -5.461 4.285 1.00 0.00 H new ATOM 0 HG22 ILE A 51 21.085 -6.805 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.965 -6.434 2.795 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.292 -5.183 4.754 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.512 -5.506 6.010 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.993 -4.738 4.478 1.00 0.00 H new ATOM 861 N ARG A 52 21.320 -10.002 3.143 1.00 0.00 N ATOM 862 CA ARG A 52 22.727 -10.481 3.244 1.00 0.00 C ATOM 863 C ARG A 52 23.695 -9.316 2.875 1.00 0.00 C ATOM 864 O ARG A 52 23.848 -8.991 1.693 1.00 0.00 O ATOM 865 CB ARG A 52 22.984 -11.727 2.349 1.00 0.00 C ATOM 866 CG ARG A 52 21.984 -12.905 2.452 1.00 0.00 C ATOM 867 CD ARG A 52 22.396 -14.104 1.583 1.00 0.00 C ATOM 868 NE ARG A 52 21.344 -15.148 1.653 1.00 0.00 N ATOM 869 CZ ARG A 52 21.272 -16.218 0.865 1.00 0.00 C ATOM 870 NH1 ARG A 52 22.138 -16.500 -0.087 1.00 0.00 N ATOM 871 NH2 ARG A 52 20.271 -17.033 1.039 1.00 0.00 N ATOM 0 H ARG A 52 20.908 -10.122 2.218 1.00 0.00 H new ATOM 0 HA ARG A 52 22.912 -10.794 4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 52 23.006 -11.396 1.311 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.978 -12.109 2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.908 -13.223 3.492 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.994 -12.564 2.150 1.00 0.00 H new ATOM 0 HD2 ARG A 52 22.540 -13.786 0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 52 23.348 -14.508 1.928 1.00 0.00 H new ATOM 0 HE ARG A 52 20.618 -15.037 2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 52 22.928 -15.878 -0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 52 22.018 -17.340 -0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 52 19.576 -16.840 1.760 1.00 0.00 H new ATOM 0 HH22 ARG A 52 20.182 -17.864 0.454 1.00 0.00 H new ATOM 885 N THR A 53 24.336 -8.686 3.876 1.00 0.00 N ATOM 886 CA THR A 53 25.302 -7.570 3.636 1.00 0.00 C ATOM 887 C THR A 53 26.719 -8.183 3.396 1.00 0.00 C ATOM 888 O THR A 53 27.393 -8.626 4.331 1.00 0.00 O ATOM 889 CB THR A 53 25.258 -6.536 4.802 1.00 0.00 C ATOM 890 OG1 THR A 53 23.916 -6.143 5.077 1.00 0.00 O ATOM 891 CG2 THR A 53 26.024 -5.237 4.506 1.00 0.00 C ATOM 0 H THR A 53 24.211 -8.921 4.861 1.00 0.00 H new ATOM 0 HA THR A 53 25.027 -7.008 2.744 1.00 0.00 H new ATOM 0 HB THR A 53 25.724 -7.051 5.642 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.909 -5.495 5.813 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.948 -4.567 5.362 1.00 0.00 H new ATOM 0 HG22 THR A 53 27.072 -5.468 4.317 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.595 -4.754 3.628 1.00 0.00 H new ATOM 899 N LEU A 54 27.120 -8.252 2.121 1.00 0.00 N ATOM 900 CA LEU A 54 28.249 -9.096 1.649 1.00 0.00 C ATOM 901 C LEU A 54 29.431 -8.196 1.182 1.00 0.00 C ATOM 902 O LEU A 54 29.297 -7.429 0.223 1.00 0.00 O ATOM 903 CB LEU A 54 27.737 -9.955 0.457 1.00 0.00 C ATOM 904 CG LEU A 54 26.711 -11.083 0.778 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.692 -11.243 -0.364 1.00 0.00 C ATOM 906 CD2 LEU A 54 27.418 -12.422 1.034 1.00 0.00 C ATOM 0 H LEU A 54 26.672 -7.722 1.373 1.00 0.00 H new ATOM 0 HA LEU A 54 28.604 -9.736 2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.283 -9.284 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.601 -10.412 -0.025 1.00 0.00 H new ATOM 0 HG LEU A 54 26.181 -10.791 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.988 -12.037 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.150 -10.307 -0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.215 -11.499 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 54 26.676 -13.189 1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.984 -12.710 0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 54 28.097 -12.319 1.881 1.00 0.00 H new ATOM 918 N SER A 55 30.599 -8.309 1.829 1.00 0.00 N ATOM 919 CA SER A 55 31.808 -7.523 1.444 1.00 0.00 C ATOM 920 C SER A 55 32.803 -8.344 0.568 1.00 0.00 C ATOM 921 O SER A 55 32.860 -8.157 -0.648 1.00 0.00 O ATOM 922 CB SER A 55 32.396 -6.885 2.731 1.00 0.00 C ATOM 923 OG SER A 55 33.469 -6.000 2.411 1.00 0.00 O ATOM 0 H SER A 55 30.745 -8.933 2.622 1.00 0.00 H new ATOM 0 HA SER A 55 31.544 -6.704 0.774 1.00 0.00 H new ATOM 0 HB2 SER A 55 31.615 -6.341 3.262 1.00 0.00 H new ATOM 0 HB3 SER A 55 32.751 -7.668 3.401 1.00 0.00 H new ATOM 0 HG SER A 55 33.825 -5.607 3.235 1.00 0.00 H new ATOM 929 N THR A 56 33.591 -9.221 1.204 1.00 0.00 N ATOM 930 CA THR A 56 34.749 -9.955 0.599 1.00 0.00 C ATOM 931 C THR A 56 35.387 -10.836 1.726 1.00 0.00 C ATOM 932 O THR A 56 35.353 -12.066 1.650 1.00 0.00 O ATOM 933 CB THR A 56 35.772 -9.089 -0.221 1.00 0.00 C ATOM 934 OG1 THR A 56 36.801 -9.919 -0.740 1.00 0.00 O ATOM 935 CG2 THR A 56 36.463 -7.914 0.495 1.00 0.00 C ATOM 0 H THR A 56 33.449 -9.458 2.186 1.00 0.00 H new ATOM 0 HA THR A 56 34.369 -10.591 -0.201 1.00 0.00 H new ATOM 0 HB THR A 56 35.135 -8.634 -0.979 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.434 -9.374 -1.252 1.00 0.00 H new ATOM 0 HG21 THR A 56 37.139 -7.412 -0.198 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.710 -7.207 0.844 1.00 0.00 H new ATOM 0 HG23 THR A 56 37.030 -8.290 1.347 1.00 0.00 H new ATOM 943 N PHE A 57 35.891 -10.201 2.802 1.00 0.00 N ATOM 944 CA PHE A 57 36.194 -10.879 4.098 1.00 0.00 C ATOM 945 C PHE A 57 34.964 -11.034 5.067 1.00 0.00 C ATOM 946 O PHE A 57 34.826 -12.068 5.723 1.00 0.00 O ATOM 947 CB PHE A 57 37.435 -10.180 4.744 1.00 0.00 C ATOM 948 CG PHE A 57 37.232 -8.835 5.484 1.00 0.00 C ATOM 949 CD1 PHE A 57 36.931 -7.665 4.776 1.00 0.00 C ATOM 950 CD2 PHE A 57 37.306 -8.786 6.882 1.00 0.00 C ATOM 951 CE1 PHE A 57 36.670 -6.479 5.457 1.00 0.00 C ATOM 952 CE2 PHE A 57 37.069 -7.591 7.559 1.00 0.00 C ATOM 953 CZ PHE A 57 36.743 -6.441 6.846 1.00 0.00 C ATOM 0 H PHE A 57 36.103 -9.203 2.807 1.00 0.00 H new ATOM 0 HA PHE A 57 36.442 -11.920 3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 57 37.879 -10.882 5.450 1.00 0.00 H new ATOM 0 HB3 PHE A 57 38.169 -10.015 3.955 1.00 0.00 H new ATOM 0 HD1 PHE A 57 36.901 -7.683 3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 57 37.548 -9.679 7.438 1.00 0.00 H new ATOM 0 HE1 PHE A 57 36.410 -5.587 4.906 1.00 0.00 H new ATOM 0 HE2 PHE A 57 37.138 -7.557 8.636 1.00 0.00 H new ATOM 0 HZ PHE A 57 36.546 -5.518 7.371 1.00 0.00 H new ATOM 963 N ARG A 58 34.110 -9.997 5.187 1.00 0.00 N ATOM 964 CA ARG A 58 33.061 -9.897 6.237 1.00 0.00 C ATOM 965 C ARG A 58 31.621 -10.066 5.648 1.00 0.00 C ATOM 966 O ARG A 58 31.310 -9.587 4.549 1.00 0.00 O ATOM 967 CB ARG A 58 33.283 -8.511 6.908 1.00 0.00 C ATOM 968 CG ARG A 58 32.652 -8.334 8.307 1.00 0.00 C ATOM 969 CD ARG A 58 33.007 -6.966 8.923 1.00 0.00 C ATOM 970 NE ARG A 58 32.582 -6.900 10.346 1.00 0.00 N ATOM 971 CZ ARG A 58 33.335 -7.242 11.393 1.00 0.00 C ATOM 972 NH1 ARG A 58 34.564 -7.706 11.307 1.00 0.00 N ATOM 973 NH2 ARG A 58 32.818 -7.111 12.584 1.00 0.00 N ATOM 0 H ARG A 58 34.125 -9.196 4.556 1.00 0.00 H new ATOM 0 HA ARG A 58 33.142 -10.701 6.968 1.00 0.00 H new ATOM 0 HB2 ARG A 58 34.356 -8.335 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 58 32.882 -7.741 6.249 1.00 0.00 H new ATOM 0 HG2 ARG A 58 31.569 -8.430 8.232 1.00 0.00 H new ATOM 0 HG3 ARG A 58 32.998 -9.131 8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 58 34.082 -6.798 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 58 32.522 -6.171 8.357 1.00 0.00 H new ATOM 0 HE ARG A 58 31.637 -6.566 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 58 35.002 -7.825 10.393 1.00 0.00 H new ATOM 0 HH12 ARG A 58 35.079 -7.947 12.154 1.00 0.00 H new ATOM 0 HH21 ARG A 58 31.867 -6.757 12.691 1.00 0.00 H new ATOM 0 HH22 ARG A 58 33.364 -7.363 13.408 1.00 0.00 H new ATOM 987 N ASN A 59 30.732 -10.731 6.408 1.00 0.00 N ATOM 988 CA ASN A 59 29.298 -10.894 6.039 1.00 0.00 C ATOM 989 C ASN A 59 28.390 -10.623 7.281 1.00 0.00 C ATOM 990 O ASN A 59 28.615 -11.175 8.363 1.00 0.00 O ATOM 991 CB ASN A 59 29.097 -12.319 5.454 1.00 0.00 C ATOM 992 CG ASN A 59 27.765 -12.595 4.746 1.00 0.00 C ATOM 993 OD1 ASN A 59 26.896 -11.751 4.557 1.00 0.00 O ATOM 994 ND2 ASN A 59 27.584 -13.809 4.291 1.00 0.00 N ATOM 0 H ASN A 59 30.978 -11.172 7.294 1.00 0.00 H new ATOM 0 HA ASN A 59 29.010 -10.169 5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 59 29.904 -12.513 4.747 1.00 0.00 H new ATOM 0 HB3 ASN A 59 29.205 -13.038 6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 59 26.729 -14.042 3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 59 28.298 -14.522 4.441 1.00 0.00 H new ATOM 1001 N TYR A 60 27.347 -9.796 7.104 1.00 0.00 N ATOM 1002 CA TYR A 60 26.308 -9.566 8.149 1.00 0.00 C ATOM 1003 C TYR A 60 24.896 -9.870 7.554 1.00 0.00 C ATOM 1004 O TYR A 60 24.389 -9.130 6.705 1.00 0.00 O ATOM 1005 CB TYR A 60 26.471 -8.129 8.733 1.00 0.00 C ATOM 1006 CG TYR A 60 25.457 -7.652 9.803 1.00 0.00 C ATOM 1007 CD1 TYR A 60 24.926 -8.517 10.773 1.00 0.00 C ATOM 1008 CD2 TYR A 60 25.045 -6.314 9.792 1.00 0.00 C ATOM 1009 CE1 TYR A 60 23.968 -8.063 11.675 1.00 0.00 C ATOM 1010 CE2 TYR A 60 24.101 -5.858 10.710 1.00 0.00 C ATOM 1011 CZ TYR A 60 23.560 -6.735 11.645 1.00 0.00 C ATOM 1012 OH TYR A 60 22.600 -6.299 12.516 1.00 0.00 O ATOM 0 H TYR A 60 27.191 -9.268 6.245 1.00 0.00 H new ATOM 0 HA TYR A 60 26.430 -10.248 8.991 1.00 0.00 H new ATOM 0 HB2 TYR A 60 27.469 -8.057 9.165 1.00 0.00 H new ATOM 0 HB3 TYR A 60 26.432 -7.426 7.901 1.00 0.00 H new ATOM 0 HD1 TYR A 60 25.263 -9.542 10.820 1.00 0.00 H new ATOM 0 HD2 TYR A 60 25.462 -5.631 9.067 1.00 0.00 H new ATOM 0 HE1 TYR A 60 23.542 -8.743 12.398 1.00 0.00 H new ATOM 0 HE2 TYR A 60 23.789 -4.824 10.696 1.00 0.00 H new ATOM 0 HH TYR A 60 21.713 -6.501 12.153 1.00 0.00 H new ATOM 1022 N ILE A 61 24.261 -10.964 8.012 1.00 0.00 N ATOM 1023 CA ILE A 61 22.942 -11.421 7.479 1.00 0.00 C ATOM 1024 C ILE A 61 21.820 -11.009 8.490 1.00 0.00 C ATOM 1025 O ILE A 61 21.714 -11.552 9.594 1.00 0.00 O ATOM 1026 CB ILE A 61 22.983 -12.947 7.097 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.017 -13.237 5.962 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.586 -13.476 6.666 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.386 -14.708 5.729 1.00 0.00 C ATOM 0 H ILE A 61 24.633 -11.558 8.753 1.00 0.00 H new ATOM 0 HA ILE A 61 22.704 -10.925 6.538 1.00 0.00 H new ATOM 0 HB ILE A 61 23.295 -13.473 7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.622 -12.833 5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 61 24.931 -12.688 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 61 21.660 -14.533 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.880 -13.349 7.487 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.237 -12.917 5.798 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.110 -14.777 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.820 -15.123 6.639 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.490 -15.270 5.465 1.00 0.00 H new ATOM 1041 N MET A 62 20.955 -10.071 8.070 1.00 0.00 N ATOM 1042 CA MET A 62 19.761 -9.646 8.846 1.00 0.00 C ATOM 1043 C MET A 62 18.513 -10.436 8.343 1.00 0.00 C ATOM 1044 O MET A 62 17.860 -10.053 7.367 1.00 0.00 O ATOM 1045 CB MET A 62 19.606 -8.107 8.685 1.00 0.00 C ATOM 1046 CG MET A 62 20.484 -7.241 9.600 1.00 0.00 C ATOM 1047 SD MET A 62 19.669 -6.975 11.185 1.00 0.00 S ATOM 1048 CE MET A 62 18.691 -5.504 10.817 1.00 0.00 C ATOM 0 H MET A 62 21.058 -9.580 7.182 1.00 0.00 H new ATOM 0 HA MET A 62 19.869 -9.867 9.908 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.827 -7.846 7.650 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.563 -7.847 8.864 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.447 -7.727 9.756 1.00 0.00 H new ATOM 0 HG3 MET A 62 20.684 -6.282 9.121 1.00 0.00 H new ATOM 0 HE1 MET A 62 19.123 -4.643 11.326 1.00 0.00 H new ATOM 0 HE2 MET A 62 18.691 -5.327 9.741 1.00 0.00 H new ATOM 0 HE3 MET A 62 17.667 -5.652 11.161 1.00 0.00 H new ATOM 1058 N ASP A 63 18.193 -11.550 9.022 1.00 0.00 N ATOM 1059 CA ASP A 63 17.041 -12.420 8.681 1.00 0.00 C ATOM 1060 C ASP A 63 15.827 -12.164 9.628 1.00 0.00 C ATOM 1061 O ASP A 63 15.818 -12.653 10.763 1.00 0.00 O ATOM 1062 CB ASP A 63 17.549 -13.890 8.652 1.00 0.00 C ATOM 1063 CG ASP A 63 18.315 -14.501 9.839 1.00 0.00 C ATOM 1064 OD1 ASP A 63 19.348 -15.147 9.695 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.723 -14.257 11.047 1.00 0.00 O ATOM 0 H ASP A 63 18.725 -11.879 9.828 1.00 0.00 H new ATOM 0 HA ASP A 63 16.648 -12.185 7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 63 16.678 -14.522 8.478 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.192 -13.985 7.777 1.00 0.00 H new ATOM 1071 N PHE A 64 14.822 -11.394 9.178 1.00 0.00 N ATOM 1072 CA PHE A 64 13.760 -10.843 10.076 1.00 0.00 C ATOM 1073 C PHE A 64 12.356 -10.794 9.395 1.00 0.00 C ATOM 1074 O PHE A 64 12.244 -10.597 8.182 1.00 0.00 O ATOM 1075 CB PHE A 64 14.194 -9.443 10.617 1.00 0.00 C ATOM 1076 CG PHE A 64 14.426 -8.325 9.578 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.348 -7.606 9.052 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.710 -8.092 9.081 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.551 -6.697 8.019 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.911 -7.179 8.048 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.830 -6.480 7.520 1.00 0.00 C ATOM 0 H PHE A 64 14.712 -11.132 8.199 1.00 0.00 H new ATOM 0 HA PHE A 64 13.652 -11.526 10.919 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.432 -9.100 11.317 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.115 -9.572 11.186 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.355 -7.757 9.449 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.552 -8.623 9.500 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.712 -6.158 7.603 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.904 -7.014 7.658 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.985 -5.769 6.722 1.00 0.00 H new ATOM 1091 N GLN A 65 11.272 -10.907 10.180 1.00 0.00 N ATOM 1092 CA GLN A 65 9.893 -10.644 9.676 1.00 0.00 C ATOM 1093 C GLN A 65 9.481 -9.152 9.867 1.00 0.00 C ATOM 1094 O GLN A 65 9.508 -8.620 10.980 1.00 0.00 O ATOM 1095 CB GLN A 65 8.892 -11.643 10.316 1.00 0.00 C ATOM 1096 CG GLN A 65 8.845 -13.014 9.584 1.00 0.00 C ATOM 1097 CD GLN A 65 7.603 -13.869 9.845 1.00 0.00 C ATOM 1098 OE1 GLN A 65 7.764 -15.153 10.042 1.00 0.00 O flip ATOM 1099 NE2 GLN A 65 6.466 -13.405 9.786 1.00 0.00 N flip ATOM 0 H GLN A 65 11.312 -11.177 11.163 1.00 0.00 H new ATOM 0 HA GLN A 65 9.874 -10.813 8.599 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.165 -11.804 11.359 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.895 -11.202 10.312 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.920 -12.834 8.512 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.725 -13.589 9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 65 6.330 -12.406 9.633 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.658 -14.019 9.890 1.00 0.00 H new ATOM 1108 N VAL A 66 9.068 -8.487 8.769 1.00 0.00 N ATOM 1109 CA VAL A 66 8.623 -7.063 8.778 1.00 0.00 C ATOM 1110 C VAL A 66 7.260 -6.930 9.546 1.00 0.00 C ATOM 1111 O VAL A 66 6.260 -7.559 9.182 1.00 0.00 O ATOM 1112 CB VAL A 66 8.530 -6.495 7.318 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.307 -4.965 7.324 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.745 -6.755 6.393 1.00 0.00 C ATOM 0 H VAL A 66 9.031 -8.916 7.845 1.00 0.00 H new ATOM 0 HA VAL A 66 9.365 -6.464 9.306 1.00 0.00 H new ATOM 0 HB VAL A 66 7.685 -7.050 6.911 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.247 -4.602 6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.378 -4.735 7.845 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.139 -4.478 7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.558 -6.314 5.414 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.637 -6.306 6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.896 -7.829 6.284 1.00 0.00 H new ATOM 1124 N GLY A 67 7.256 -6.150 10.636 1.00 0.00 N ATOM 1125 CA GLY A 67 6.213 -6.252 11.695 1.00 0.00 C ATOM 1126 C GLY A 67 6.694 -6.792 13.064 1.00 0.00 C ATOM 1127 O GLY A 67 6.278 -6.265 14.097 1.00 0.00 O ATOM 0 H GLY A 67 7.961 -5.436 10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.779 -5.264 11.848 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.414 -6.898 11.331 1.00 0.00 H new ATOM 1131 N LYS A 68 7.520 -7.854 13.090 1.00 0.00 N ATOM 1132 CA LYS A 68 7.971 -8.507 14.350 1.00 0.00 C ATOM 1133 C LYS A 68 9.202 -7.799 15.012 1.00 0.00 C ATOM 1134 O LYS A 68 10.130 -7.338 14.336 1.00 0.00 O ATOM 1135 CB LYS A 68 8.290 -10.007 14.078 1.00 0.00 C ATOM 1136 CG LYS A 68 7.096 -10.882 13.622 1.00 0.00 C ATOM 1137 CD LYS A 68 7.346 -12.394 13.814 1.00 0.00 C ATOM 1138 CE LYS A 68 6.196 -13.297 13.334 1.00 0.00 C ATOM 1139 NZ LYS A 68 5.055 -13.285 14.273 1.00 0.00 N ATOM 0 H LYS A 68 7.896 -8.288 12.247 1.00 0.00 H new ATOM 0 HA LYS A 68 7.151 -8.420 15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.067 -10.060 13.315 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.706 -10.440 14.987 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.206 -10.593 14.182 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.889 -10.685 12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 68 8.255 -12.670 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.527 -12.588 14.871 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.861 -12.966 12.351 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.560 -14.318 13.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 4.302 -13.906 13.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.368 -13.626 15.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.690 -12.315 14.364 1.00 0.00 H new ATOM 1152 N GLU A 69 9.220 -7.770 16.359 1.00 0.00 N ATOM 1153 CA GLU A 69 10.386 -7.279 17.142 1.00 0.00 C ATOM 1154 C GLU A 69 11.360 -8.451 17.507 1.00 0.00 C ATOM 1155 O GLU A 69 10.971 -9.412 18.176 1.00 0.00 O ATOM 1156 CB GLU A 69 9.854 -6.488 18.367 1.00 0.00 C ATOM 1157 CG GLU A 69 10.971 -5.828 19.215 1.00 0.00 C ATOM 1158 CD GLU A 69 10.552 -4.621 20.048 1.00 0.00 C ATOM 1159 OE1 GLU A 69 10.063 -4.697 21.170 1.00 0.00 O ATOM 1160 OE2 GLU A 69 10.800 -3.444 19.403 1.00 0.00 O ATOM 0 H GLU A 69 8.439 -8.081 16.936 1.00 0.00 H new ATOM 0 HA GLU A 69 10.992 -6.596 16.546 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.169 -5.715 18.019 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.278 -7.162 19.002 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.384 -6.582 19.885 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.775 -5.521 18.546 1.00 0.00 H new ATOM 1168 N PHE A 70 12.629 -8.350 17.071 1.00 0.00 N ATOM 1169 CA PHE A 70 13.664 -9.407 17.276 1.00 0.00 C ATOM 1170 C PHE A 70 14.903 -8.890 18.080 1.00 0.00 C ATOM 1171 O PHE A 70 15.284 -7.720 17.994 1.00 0.00 O ATOM 1172 CB PHE A 70 14.038 -10.024 15.891 1.00 0.00 C ATOM 1173 CG PHE A 70 14.959 -9.214 14.947 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.443 -8.197 14.137 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.330 -9.495 14.899 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.285 -7.471 13.298 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.169 -8.772 14.055 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.646 -7.764 13.252 1.00 0.00 C ATOM 0 H PHE A 70 12.977 -7.536 16.565 1.00 0.00 H new ATOM 0 HA PHE A 70 13.249 -10.196 17.903 1.00 0.00 H new ATOM 0 HB2 PHE A 70 14.516 -10.986 16.075 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.110 -10.226 15.356 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.387 -7.974 14.162 1.00 0.00 H new ATOM 0 HD2 PHE A 70 16.739 -10.278 15.521 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.882 -6.680 12.683 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.226 -8.994 14.024 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.296 -7.208 12.592 1.00 0.00 H new ATOM 1188 N GLU A 71 15.601 -9.775 18.808 1.00 0.00 N ATOM 1189 CA GLU A 71 16.934 -9.453 19.393 1.00 0.00 C ATOM 1190 C GLU A 71 18.064 -9.427 18.310 1.00 0.00 C ATOM 1191 O GLU A 71 18.347 -10.441 17.662 1.00 0.00 O ATOM 1192 CB GLU A 71 17.265 -10.388 20.598 1.00 0.00 C ATOM 1193 CG GLU A 71 17.353 -11.927 20.377 1.00 0.00 C ATOM 1194 CD GLU A 71 16.010 -12.643 20.214 1.00 0.00 C ATOM 1195 OE1 GLU A 71 15.419 -12.732 19.141 1.00 0.00 O ATOM 1196 OE2 GLU A 71 15.540 -13.140 21.396 1.00 0.00 O ATOM 0 H GLU A 71 15.275 -10.720 19.011 1.00 0.00 H new ATOM 0 HA GLU A 71 16.883 -8.439 19.789 1.00 0.00 H new ATOM 0 HB2 GLU A 71 18.220 -10.063 21.010 1.00 0.00 H new ATOM 0 HB3 GLU A 71 16.510 -10.211 21.364 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.957 -12.116 19.489 1.00 0.00 H new ATOM 0 HG3 GLU A 71 17.881 -12.369 21.222 1.00 0.00 H new ATOM 1204 N GLU A 72 18.747 -8.278 18.146 1.00 0.00 N ATOM 1205 CA GLU A 72 19.982 -8.179 17.314 1.00 0.00 C ATOM 1206 C GLU A 72 21.191 -8.884 18.015 1.00 0.00 C ATOM 1207 O GLU A 72 21.950 -8.261 18.760 1.00 0.00 O ATOM 1208 CB GLU A 72 20.252 -6.673 17.013 1.00 0.00 C ATOM 1209 CG GLU A 72 19.519 -6.094 15.779 1.00 0.00 C ATOM 1210 CD GLU A 72 20.250 -6.330 14.458 1.00 0.00 C ATOM 1211 OE1 GLU A 72 20.668 -7.423 14.080 1.00 0.00 O ATOM 1212 OE2 GLU A 72 20.434 -5.175 13.757 1.00 0.00 O ATOM 0 H GLU A 72 18.470 -7.396 18.577 1.00 0.00 H new ATOM 0 HA GLU A 72 19.845 -8.702 16.368 1.00 0.00 H new ATOM 0 HB2 GLU A 72 19.967 -6.090 17.889 1.00 0.00 H new ATOM 0 HB3 GLU A 72 21.324 -6.536 16.873 1.00 0.00 H new ATOM 0 HG2 GLU A 72 18.525 -6.538 15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 72 19.381 -5.022 15.920 1.00 0.00 H new ATOM 1363 N CYS A 82 20.492 -5.270 20.634 1.00 0.00 N ATOM 1364 CA CYS A 82 19.395 -4.264 20.583 1.00 0.00 C ATOM 1365 C CYS A 82 18.034 -4.912 20.170 1.00 0.00 C ATOM 1366 O CYS A 82 17.929 -5.616 19.157 1.00 0.00 O ATOM 1367 CB CYS A 82 19.815 -3.138 19.614 1.00 0.00 C ATOM 1368 SG CYS A 82 21.277 -2.242 20.249 1.00 0.00 S ATOM 0 HA CYS A 82 19.235 -3.846 21.577 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.040 -3.561 18.635 1.00 0.00 H new ATOM 0 HB3 CYS A 82 18.987 -2.442 19.479 1.00 0.00 H new ATOM 0 HG CYS A 82 22.020 -3.057 20.937 1.00 0.00 H new ATOM 1374 N MET A 83 16.965 -4.650 20.942 1.00 0.00 N ATOM 1375 CA MET A 83 15.615 -5.222 20.678 1.00 0.00 C ATOM 1376 C MET A 83 14.895 -4.437 19.532 1.00 0.00 C ATOM 1377 O MET A 83 14.554 -3.260 19.658 1.00 0.00 O ATOM 1378 CB MET A 83 14.830 -5.236 22.015 1.00 0.00 C ATOM 1379 CG MET A 83 13.694 -6.271 22.053 1.00 0.00 C ATOM 1380 SD MET A 83 14.383 -7.941 21.997 1.00 0.00 S ATOM 1381 CE MET A 83 12.952 -8.880 21.439 1.00 0.00 C ATOM 0 H MET A 83 17.002 -4.043 21.761 1.00 0.00 H new ATOM 0 HA MET A 83 15.686 -6.249 20.318 1.00 0.00 H new ATOM 0 HB2 MET A 83 15.523 -5.440 22.831 1.00 0.00 H new ATOM 0 HB3 MET A 83 14.413 -4.245 22.192 1.00 0.00 H new ATOM 0 HG2 MET A 83 13.103 -6.142 22.960 1.00 0.00 H new ATOM 0 HG3 MET A 83 13.021 -6.117 21.209 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.218 -9.934 21.355 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.140 -8.767 22.157 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.630 -8.509 20.466 1.00 0.00 H new ATOM 1391 N THR A 84 14.765 -5.072 18.366 1.00 0.00 N ATOM 1392 CA THR A 84 14.706 -4.359 17.064 1.00 0.00 C ATOM 1393 C THR A 84 13.365 -4.644 16.331 1.00 0.00 C ATOM 1394 O THR A 84 13.121 -5.763 15.873 1.00 0.00 O ATOM 1395 CB THR A 84 15.959 -4.757 16.227 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.147 -4.353 16.909 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.012 -4.093 14.843 1.00 0.00 C ATOM 0 H THR A 84 14.697 -6.086 18.284 1.00 0.00 H new ATOM 0 HA THR A 84 14.728 -3.280 17.219 1.00 0.00 H new ATOM 0 HB THR A 84 15.890 -5.837 16.101 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.400 -5.040 17.560 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.911 -4.417 14.318 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.132 -4.381 14.267 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.030 -3.009 14.960 1.00 0.00 H new ATOM 1405 N THR A 85 12.537 -3.602 16.161 1.00 0.00 N ATOM 1406 CA THR A 85 11.381 -3.643 15.218 1.00 0.00 C ATOM 1407 C THR A 85 11.822 -3.100 13.824 1.00 0.00 C ATOM 1408 O THR A 85 12.365 -1.994 13.722 1.00 0.00 O ATOM 1409 CB THR A 85 10.194 -2.831 15.817 1.00 0.00 C ATOM 1410 OG1 THR A 85 9.723 -3.448 17.007 1.00 0.00 O ATOM 1411 CG2 THR A 85 8.946 -2.724 14.922 1.00 0.00 C ATOM 0 H THR A 85 12.636 -2.717 16.658 1.00 0.00 H new ATOM 0 HA THR A 85 11.043 -4.670 15.078 1.00 0.00 H new ATOM 0 HB THR A 85 10.620 -1.838 15.961 1.00 0.00 H new ATOM 0 HG1 THR A 85 10.394 -3.348 17.715 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.181 -2.139 15.433 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.211 -2.234 13.985 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.561 -3.722 14.714 1.00 0.00 H new ATOM 1419 N VAL A 86 11.522 -3.856 12.753 1.00 0.00 N ATOM 1420 CA VAL A 86 11.557 -3.330 11.354 1.00 0.00 C ATOM 1421 C VAL A 86 10.084 -3.329 10.824 1.00 0.00 C ATOM 1422 O VAL A 86 9.372 -4.332 10.941 1.00 0.00 O ATOM 1423 CB VAL A 86 12.536 -4.117 10.417 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.684 -3.415 9.047 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.969 -4.306 10.963 1.00 0.00 C ATOM 0 H VAL A 86 11.251 -4.837 12.818 1.00 0.00 H new ATOM 0 HA VAL A 86 11.960 -2.317 11.355 1.00 0.00 H new ATOM 0 HB VAL A 86 12.067 -5.098 10.340 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.369 -3.984 8.419 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.710 -3.356 8.561 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.077 -2.409 9.194 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.564 -4.862 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.425 -3.331 11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.931 -4.859 11.902 1.00 0.00 H new ATOM 1435 N SER A 87 9.596 -2.204 10.272 1.00 0.00 N ATOM 1436 CA SER A 87 8.179 -2.066 9.817 1.00 0.00 C ATOM 1437 C SER A 87 8.024 -1.097 8.600 1.00 0.00 C ATOM 1438 O SER A 87 8.854 -0.214 8.357 1.00 0.00 O ATOM 1439 CB SER A 87 7.303 -1.645 11.024 1.00 0.00 C ATOM 1440 OG SER A 87 7.187 -2.727 11.949 1.00 0.00 O ATOM 0 H SER A 87 10.158 -1.365 10.125 1.00 0.00 H new ATOM 0 HA SER A 87 7.836 -3.033 9.448 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.744 -0.780 11.519 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.314 -1.345 10.678 1.00 0.00 H new ATOM 0 HG SER A 87 7.774 -3.461 11.670 1.00 0.00 H new ATOM 1446 N TRP A 88 6.935 -1.256 7.822 1.00 0.00 N ATOM 1447 CA TRP A 88 6.660 -0.389 6.640 1.00 0.00 C ATOM 1448 C TRP A 88 5.986 0.963 7.040 1.00 0.00 C ATOM 1449 O TRP A 88 4.827 1.002 7.466 1.00 0.00 O ATOM 1450 CB TRP A 88 5.766 -1.136 5.608 1.00 0.00 C ATOM 1451 CG TRP A 88 6.396 -2.332 4.883 1.00 0.00 C ATOM 1452 CD1 TRP A 88 5.944 -3.667 4.956 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.423 -2.338 3.955 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.678 -4.516 4.104 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.591 -3.671 3.498 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.188 -1.283 3.391 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.534 -3.959 2.487 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 9.102 -1.594 2.384 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.279 -2.913 1.944 1.00 0.00 C ATOM 0 H TRP A 88 6.228 -1.973 7.984 1.00 0.00 H new ATOM 0 HA TRP A 88 7.624 -0.159 6.187 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.871 -1.485 6.124 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.441 -0.416 4.857 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.133 -3.998 5.588 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.563 -5.520 3.966 1.00 0.00 H new ATOM 0 HE3 TRP A 88 8.065 -0.266 3.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.676 -4.972 2.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.684 -0.803 1.935 1.00 0.00 H new ATOM 0 HH2 TRP A 88 10.004 -3.122 1.172 1.00 0.00 H new ATOM 1470 N ASP A 89 6.685 2.087 6.810 1.00 0.00 N ATOM 1471 CA ASP A 89 6.069 3.444 6.804 1.00 0.00 C ATOM 1472 C ASP A 89 5.462 3.748 5.389 1.00 0.00 C ATOM 1473 O ASP A 89 6.028 4.525 4.609 1.00 0.00 O ATOM 1474 CB ASP A 89 7.209 4.398 7.256 1.00 0.00 C ATOM 1475 CG ASP A 89 6.873 5.880 7.411 1.00 0.00 C ATOM 1476 OD1 ASP A 89 6.919 6.468 8.487 1.00 0.00 O ATOM 1477 OD2 ASP A 89 6.565 6.473 6.218 1.00 0.00 O ATOM 0 H ASP A 89 7.688 2.092 6.623 1.00 0.00 H new ATOM 0 HA ASP A 89 5.222 3.559 7.480 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.589 4.038 8.212 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.024 4.312 6.537 1.00 0.00 H new ATOM 1483 N GLY A 90 4.329 3.097 5.058 1.00 0.00 N ATOM 1484 CA GLY A 90 3.794 3.065 3.670 1.00 0.00 C ATOM 1485 C GLY A 90 4.656 2.233 2.692 1.00 0.00 C ATOM 1486 O GLY A 90 4.577 1.004 2.680 1.00 0.00 O ATOM 0 H GLY A 90 3.761 2.583 5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.784 2.656 3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 90 3.718 4.086 3.295 1.00 0.00 H new ATOM 1490 N ASP A 91 5.504 2.925 1.922 1.00 0.00 N ATOM 1491 CA ASP A 91 6.569 2.287 1.088 1.00 0.00 C ATOM 1492 C ASP A 91 8.027 2.302 1.683 1.00 0.00 C ATOM 1493 O ASP A 91 8.885 1.575 1.174 1.00 0.00 O ATOM 1494 CB ASP A 91 6.464 2.967 -0.306 1.00 0.00 C ATOM 1495 CG ASP A 91 7.254 2.290 -1.424 1.00 0.00 C ATOM 1496 OD1 ASP A 91 7.102 1.119 -1.749 1.00 0.00 O ATOM 1497 OD2 ASP A 91 8.146 3.131 -2.019 1.00 0.00 O ATOM 0 H ASP A 91 5.484 3.942 1.849 1.00 0.00 H new ATOM 0 HA ASP A 91 6.389 1.213 1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.414 3.003 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.805 3.998 -0.215 1.00 0.00 H new ATOM 1503 N LYS A 92 8.332 3.106 2.719 1.00 0.00 N ATOM 1504 CA LYS A 92 9.706 3.239 3.282 1.00 0.00 C ATOM 1505 C LYS A 92 9.904 2.239 4.466 1.00 0.00 C ATOM 1506 O LYS A 92 9.102 2.207 5.405 1.00 0.00 O ATOM 1507 CB LYS A 92 9.939 4.711 3.730 1.00 0.00 C ATOM 1508 CG LYS A 92 9.828 5.793 2.621 1.00 0.00 C ATOM 1509 CD LYS A 92 10.088 7.235 3.104 1.00 0.00 C ATOM 1510 CE LYS A 92 11.580 7.568 3.265 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.756 8.944 3.762 1.00 0.00 N ATOM 0 H LYS A 92 7.640 3.685 3.195 1.00 0.00 H new ATOM 0 HA LYS A 92 10.443 2.991 2.518 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.219 4.948 4.513 1.00 0.00 H new ATOM 0 HB3 LYS A 92 10.931 4.780 4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.537 5.556 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.831 5.745 2.183 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.643 7.933 2.395 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.585 7.386 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.042 6.864 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.089 7.454 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.770 9.149 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.333 9.613 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.289 9.042 4.686 1.00 0.00 H new ATOM 1524 N LEU A 93 10.963 1.415 4.440 1.00 0.00 N ATOM 1525 CA LEU A 93 11.210 0.389 5.488 1.00 0.00 C ATOM 1526 C LEU A 93 11.969 1.016 6.702 1.00 0.00 C ATOM 1527 O LEU A 93 13.163 1.322 6.613 1.00 0.00 O ATOM 1528 CB LEU A 93 11.974 -0.771 4.793 1.00 0.00 C ATOM 1529 CG LEU A 93 12.171 -2.067 5.615 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.852 -2.829 5.830 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.171 -2.991 4.904 1.00 0.00 C ATOM 0 H LEU A 93 11.670 1.433 3.705 1.00 0.00 H new ATOM 0 HA LEU A 93 10.287 -0.003 5.915 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.442 -1.027 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.957 -0.403 4.499 1.00 0.00 H new ATOM 0 HG LEU A 93 12.553 -1.770 6.592 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.043 -3.731 6.412 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.148 -2.193 6.367 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.429 -3.104 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.305 -3.901 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.790 -3.247 3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.129 -2.481 4.803 1.00 0.00 H new ATOM 1543 N GLN A 94 11.252 1.230 7.817 1.00 0.00 N ATOM 1544 CA GLN A 94 11.812 1.864 9.041 1.00 0.00 C ATOM 1545 C GLN A 94 12.295 0.798 10.064 1.00 0.00 C ATOM 1546 O GLN A 94 11.535 -0.100 10.441 1.00 0.00 O ATOM 1547 CB GLN A 94 10.732 2.763 9.705 1.00 0.00 C ATOM 1548 CG GLN A 94 10.457 4.099 8.989 1.00 0.00 C ATOM 1549 CD GLN A 94 11.613 5.103 9.039 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.748 4.864 9.441 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.372 6.265 8.528 1.00 0.00 N ATOM 0 H GLN A 94 10.269 0.972 7.904 1.00 0.00 H new ATOM 0 HA GLN A 94 12.671 2.466 8.744 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.800 2.201 9.761 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.039 2.975 10.729 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.217 3.894 7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.575 4.559 9.434 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.437 6.488 8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.117 6.959 8.466 1.00 0.00 H new ATOM 1560 N CYS A 95 13.535 0.935 10.553 1.00 0.00 N ATOM 1561 CA CYS A 95 14.091 0.085 11.630 1.00 0.00 C ATOM 1562 C CYS A 95 14.410 0.929 12.892 1.00 0.00 C ATOM 1563 O CYS A 95 15.127 1.933 12.817 1.00 0.00 O ATOM 1564 CB CYS A 95 15.356 -0.594 11.082 1.00 0.00 C ATOM 1565 SG CYS A 95 16.177 -1.612 12.359 1.00 0.00 S ATOM 0 H CYS A 95 14.189 1.641 10.215 1.00 0.00 H new ATOM 0 HA CYS A 95 13.363 -0.668 11.931 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.094 -1.220 10.229 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.049 0.165 10.719 1.00 0.00 H new ATOM 0 HG CYS A 95 17.329 -2.019 11.915 1.00 0.00 H new ATOM 1571 N VAL A 96 13.905 0.487 14.056 1.00 0.00 N ATOM 1572 CA VAL A 96 14.235 1.101 15.375 1.00 0.00 C ATOM 1573 C VAL A 96 14.929 0.023 16.276 1.00 0.00 C ATOM 1574 O VAL A 96 14.333 -1.008 16.606 1.00 0.00 O ATOM 1575 CB VAL A 96 12.977 1.807 15.991 1.00 0.00 C ATOM 1576 CG1 VAL A 96 11.780 0.890 16.332 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.328 2.649 17.237 1.00 0.00 C ATOM 0 H VAL A 96 13.260 -0.300 14.121 1.00 0.00 H new ATOM 0 HA VAL A 96 14.958 1.910 15.271 1.00 0.00 H new ATOM 0 HB VAL A 96 12.648 2.449 15.173 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.971 1.488 16.751 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.433 0.393 15.426 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.091 0.141 17.060 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.424 3.117 17.626 1.00 0.00 H new ATOM 0 HG22 VAL A 96 13.761 2.004 18.002 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.047 3.421 16.964 1.00 0.00 H new ATOM 1587 N GLN A 97 16.199 0.258 16.649 1.00 0.00 N ATOM 1588 CA GLN A 97 17.044 -0.726 17.386 1.00 0.00 C ATOM 1589 C GLN A 97 17.143 -0.293 18.885 1.00 0.00 C ATOM 1590 O GLN A 97 17.928 0.591 19.245 1.00 0.00 O ATOM 1591 CB GLN A 97 18.426 -0.789 16.671 1.00 0.00 C ATOM 1592 CG GLN A 97 18.425 -1.426 15.254 1.00 0.00 C ATOM 1593 CD GLN A 97 19.667 -1.142 14.403 1.00 0.00 C ATOM 1594 OE1 GLN A 97 19.964 -0.009 14.041 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.418 -2.141 14.015 1.00 0.00 N ATOM 0 H GLN A 97 16.679 1.136 16.452 1.00 0.00 H new ATOM 0 HA GLN A 97 16.614 -1.728 17.380 1.00 0.00 H new ATOM 0 HB2 GLN A 97 18.820 0.224 16.593 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.115 -1.351 17.301 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.318 -2.506 15.360 1.00 0.00 H new ATOM 0 HG3 GLN A 97 17.547 -1.070 14.715 1.00 0.00 H new ATOM 0 HE21 GLN A 97 20.190 -3.092 14.304 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.231 -1.968 13.424 1.00 0.00 H new ATOM 1604 N LYS A 98 16.316 -0.894 19.758 1.00 0.00 N ATOM 1605 CA LYS A 98 16.055 -0.360 21.126 1.00 0.00 C ATOM 1606 C LYS A 98 17.025 -0.941 22.206 1.00 0.00 C ATOM 1607 O LYS A 98 17.215 -2.160 22.302 1.00 0.00 O ATOM 1608 CB LYS A 98 14.593 -0.692 21.545 1.00 0.00 C ATOM 1609 CG LYS A 98 13.443 -0.177 20.644 1.00 0.00 C ATOM 1610 CD LYS A 98 12.087 -0.760 21.086 1.00 0.00 C ATOM 1611 CE LYS A 98 10.939 -0.380 20.141 1.00 0.00 C ATOM 1612 NZ LYS A 98 9.700 -1.060 20.566 1.00 0.00 N ATOM 0 H LYS A 98 15.810 -1.754 19.548 1.00 0.00 H new ATOM 0 HA LYS A 98 16.219 0.716 21.077 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.503 -1.776 21.614 1.00 0.00 H new ATOM 0 HB3 LYS A 98 14.435 -0.295 22.548 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.405 0.912 20.685 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.639 -0.450 19.607 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.164 -1.846 21.139 1.00 0.00 H new ATOM 0 HD3 LYS A 98 11.856 -0.408 22.091 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.793 0.700 20.147 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.188 -0.663 19.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.880 -0.596 20.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.733 -2.057 20.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.612 -1.007 21.601 1.00 0.00 H new ATOM 1625 N GLY A 99 17.565 -0.076 23.079 1.00 0.00 N ATOM 1626 CA GLY A 99 18.240 -0.532 24.322 1.00 0.00 C ATOM 1627 C GLY A 99 19.183 0.519 24.929 1.00 0.00 C ATOM 1628 O GLY A 99 18.730 1.526 25.476 1.00 0.00 O ATOM 0 H GLY A 99 17.552 0.936 22.956 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.483 -0.799 25.060 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.808 -1.437 24.106 1.00 0.00 H new ATOM 1632 N GLU A 100 20.494 0.260 24.854 1.00 0.00 N ATOM 1633 CA GLU A 100 21.533 1.132 25.478 1.00 0.00 C ATOM 1634 C GLU A 100 21.996 2.364 24.625 1.00 0.00 C ATOM 1635 O GLU A 100 22.251 3.427 25.196 1.00 0.00 O ATOM 1636 CB GLU A 100 22.695 0.181 25.877 1.00 0.00 C ATOM 1637 CG GLU A 100 23.812 0.803 26.752 1.00 0.00 C ATOM 1638 CD GLU A 100 24.841 -0.240 27.182 1.00 0.00 C ATOM 1639 OE1 GLU A 100 25.789 -0.595 26.487 1.00 0.00 O ATOM 1640 OE2 GLU A 100 24.554 -0.771 28.402 1.00 0.00 O ATOM 0 H GLU A 100 20.877 -0.550 24.366 1.00 0.00 H new ATOM 0 HA GLU A 100 21.106 1.637 26.345 1.00 0.00 H new ATOM 0 HB2 GLU A 100 22.274 -0.670 26.412 1.00 0.00 H new ATOM 0 HB3 GLU A 100 23.149 -0.208 24.966 1.00 0.00 H new ATOM 0 HG2 GLU A 100 24.310 1.597 26.196 1.00 0.00 H new ATOM 0 HG3 GLU A 100 23.369 1.262 27.636 1.00 0.00 H new ATOM 1648 N LYS A 101 22.149 2.229 23.293 1.00 0.00 N ATOM 1649 CA LYS A 101 22.678 3.312 22.422 1.00 0.00 C ATOM 1650 C LYS A 101 21.548 4.258 21.898 1.00 0.00 C ATOM 1651 O LYS A 101 20.532 3.810 21.353 1.00 0.00 O ATOM 1652 CB LYS A 101 23.496 2.637 21.298 1.00 0.00 C ATOM 1653 CG LYS A 101 24.421 3.611 20.533 1.00 0.00 C ATOM 1654 CD LYS A 101 25.474 2.889 19.675 1.00 0.00 C ATOM 1655 CE LYS A 101 26.667 2.276 20.442 1.00 0.00 C ATOM 1656 NZ LYS A 101 27.628 3.313 20.870 1.00 0.00 N ATOM 0 H LYS A 101 21.913 1.375 22.788 1.00 0.00 H new ATOM 0 HA LYS A 101 23.330 3.977 22.988 1.00 0.00 H new ATOM 0 HB2 LYS A 101 24.100 1.839 21.729 1.00 0.00 H new ATOM 0 HB3 LYS A 101 22.810 2.171 20.591 1.00 0.00 H new ATOM 0 HG2 LYS A 101 23.815 4.252 19.892 1.00 0.00 H new ATOM 0 HG3 LYS A 101 24.926 4.261 21.248 1.00 0.00 H new ATOM 0 HD2 LYS A 101 24.978 2.094 19.119 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.863 3.596 18.942 1.00 0.00 H new ATOM 0 HE2 LYS A 101 26.300 1.736 21.315 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.174 1.549 19.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 28.499 2.859 21.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.854 3.931 20.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.209 3.880 21.634 1.00 0.00 H new ATOM 1669 N GLU A 102 21.737 5.579 22.067 1.00 0.00 N ATOM 1670 CA GLU A 102 20.689 6.594 21.762 1.00 0.00 C ATOM 1671 C GLU A 102 20.517 6.863 20.232 1.00 0.00 C ATOM 1672 O GLU A 102 21.502 7.002 19.505 1.00 0.00 O ATOM 1673 CB GLU A 102 20.966 7.876 22.600 1.00 0.00 C ATOM 1674 CG GLU A 102 22.229 8.710 22.252 1.00 0.00 C ATOM 1675 CD GLU A 102 22.437 9.918 23.161 1.00 0.00 C ATOM 1676 OE1 GLU A 102 21.990 11.035 22.925 1.00 0.00 O ATOM 1677 OE2 GLU A 102 23.179 9.617 24.262 1.00 0.00 O ATOM 0 H GLU A 102 22.608 5.979 22.415 1.00 0.00 H new ATOM 0 HA GLU A 102 19.718 6.198 22.059 1.00 0.00 H new ATOM 0 HB2 GLU A 102 20.098 8.529 22.510 1.00 0.00 H new ATOM 0 HB3 GLU A 102 21.037 7.583 23.647 1.00 0.00 H new ATOM 0 HG2 GLU A 102 23.106 8.066 22.312 1.00 0.00 H new ATOM 0 HG3 GLU A 102 22.155 9.052 21.220 1.00 0.00 H new ATOM 1685 N GLY A 103 19.269 6.906 19.733 1.00 0.00 N ATOM 1686 CA GLY A 103 18.999 7.101 18.275 1.00 0.00 C ATOM 1687 C GLY A 103 19.508 6.052 17.255 1.00 0.00 C ATOM 1688 O GLY A 103 19.833 6.433 16.129 1.00 0.00 O ATOM 0 H GLY A 103 18.429 6.810 20.303 1.00 0.00 H new ATOM 0 HA2 GLY A 103 17.919 7.179 18.151 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.423 8.064 17.991 1.00 0.00 H new ATOM 1692 N ARG A 104 19.561 4.761 17.624 1.00 0.00 N ATOM 1693 CA ARG A 104 20.053 3.682 16.728 1.00 0.00 C ATOM 1694 C ARG A 104 18.902 3.123 15.828 1.00 0.00 C ATOM 1695 O ARG A 104 17.887 2.613 16.315 1.00 0.00 O ATOM 1696 CB ARG A 104 20.766 2.618 17.610 1.00 0.00 C ATOM 1697 CG ARG A 104 21.570 1.547 16.828 1.00 0.00 C ATOM 1698 CD ARG A 104 22.425 0.627 17.732 1.00 0.00 C ATOM 1699 NE ARG A 104 22.298 -0.827 17.438 1.00 0.00 N ATOM 1700 CZ ARG A 104 22.936 -1.484 16.472 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.576 -0.907 15.479 1.00 0.00 N ATOM 1702 NH2 ARG A 104 22.919 -2.788 16.510 1.00 0.00 N ATOM 0 H ARG A 104 19.268 4.430 18.543 1.00 0.00 H new ATOM 0 HA ARG A 104 20.784 4.061 16.014 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.443 3.130 18.294 1.00 0.00 H new ATOM 0 HB3 ARG A 104 20.017 2.114 18.220 1.00 0.00 H new ATOM 0 HG2 ARG A 104 20.877 0.933 16.253 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.223 2.047 16.112 1.00 0.00 H new ATOM 0 HD2 ARG A 104 23.472 0.914 17.632 1.00 0.00 H new ATOM 0 HD3 ARG A 104 22.145 0.799 18.771 1.00 0.00 H new ATOM 0 HE ARG A 104 21.666 -1.367 18.029 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.606 0.111 15.414 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.043 -1.477 14.774 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.428 -3.270 17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 104 23.397 -3.326 15.787 1.00 0.00 H new ATOM 1716 N GLY A 105 19.073 3.238 14.506 1.00 0.00 N ATOM 1717 CA GLY A 105 18.075 2.745 13.526 1.00 0.00 C ATOM 1718 C GLY A 105 18.479 2.945 12.051 1.00 0.00 C ATOM 1719 O GLY A 105 19.604 3.339 11.726 1.00 0.00 O ATOM 0 H GLY A 105 19.894 3.669 14.080 1.00 0.00 H new ATOM 0 HA2 GLY A 105 17.904 1.683 13.703 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.128 3.254 13.703 1.00 0.00 H new ATOM 1723 N TRP A 106 17.539 2.671 11.137 1.00 0.00 N ATOM 1724 CA TRP A 106 17.747 2.912 9.677 1.00 0.00 C ATOM 1725 C TRP A 106 16.421 3.099 8.874 1.00 0.00 C ATOM 1726 O TRP A 106 15.351 2.620 9.259 1.00 0.00 O ATOM 1727 CB TRP A 106 18.739 1.893 9.024 1.00 0.00 C ATOM 1728 CG TRP A 106 18.460 0.386 9.101 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.114 -0.507 9.978 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.590 -0.392 8.359 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.677 -1.834 9.795 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.727 -1.738 8.791 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.609 -0.045 7.399 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.876 -2.741 8.268 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.767 -1.043 6.915 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.907 -2.374 7.331 1.00 0.00 C ATOM 0 H TRP A 106 16.624 2.283 11.368 1.00 0.00 H new ATOM 0 HA TRP A 106 18.243 3.881 9.613 1.00 0.00 H new ATOM 0 HB2 TRP A 106 18.821 2.153 7.969 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.718 2.064 9.471 1.00 0.00 H new ATOM 0 HD1 TRP A 106 19.859 -0.209 10.701 1.00 0.00 H new ATOM 0 HE1 TRP A 106 18.988 -2.671 10.288 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.516 0.973 7.049 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.974 -3.768 8.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.993 -0.787 6.207 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.254 -3.130 6.920 1.00 0.00 H new ATOM 1747 N THR A 107 16.513 3.785 7.721 1.00 0.00 N ATOM 1748 CA THR A 107 15.361 4.002 6.797 1.00 0.00 C ATOM 1749 C THR A 107 15.777 3.560 5.356 1.00 0.00 C ATOM 1750 O THR A 107 16.714 4.128 4.784 1.00 0.00 O ATOM 1751 CB THR A 107 14.921 5.499 6.839 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.679 5.951 8.171 1.00 0.00 O ATOM 1753 CG2 THR A 107 13.639 5.769 6.040 1.00 0.00 C ATOM 0 H THR A 107 17.382 4.208 7.395 1.00 0.00 H new ATOM 0 HA THR A 107 14.506 3.402 7.109 1.00 0.00 H new ATOM 0 HB THR A 107 15.757 6.038 6.393 1.00 0.00 H new ATOM 0 HG1 THR A 107 14.227 5.245 8.679 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.384 6.827 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 107 13.798 5.500 4.996 1.00 0.00 H new ATOM 0 HG23 THR A 107 12.823 5.173 6.449 1.00 0.00 H new ATOM 1761 N GLN A 108 15.076 2.571 4.766 1.00 0.00 N ATOM 1762 CA GLN A 108 15.427 2.011 3.425 1.00 0.00 C ATOM 1763 C GLN A 108 14.249 2.118 2.403 1.00 0.00 C ATOM 1764 O GLN A 108 13.114 1.731 2.695 1.00 0.00 O ATOM 1765 CB GLN A 108 15.893 0.547 3.635 1.00 0.00 C ATOM 1766 CG GLN A 108 16.622 -0.085 2.424 1.00 0.00 C ATOM 1767 CD GLN A 108 17.290 -1.438 2.693 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.507 -1.555 2.781 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.543 -2.509 2.801 1.00 0.00 N ATOM 0 H GLN A 108 14.258 2.135 5.192 1.00 0.00 H new ATOM 0 HA GLN A 108 16.232 2.597 2.982 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.557 0.513 4.499 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.024 -0.065 3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 108 15.904 -0.208 1.613 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.382 0.613 2.074 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.528 -2.432 2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.976 -3.419 2.956 1.00 0.00 H new ATOM 1778 N TRP A 109 14.522 2.619 1.187 1.00 0.00 N ATOM 1779 CA TRP A 109 13.492 2.793 0.116 1.00 0.00 C ATOM 1780 C TRP A 109 14.099 2.630 -1.322 1.00 0.00 C ATOM 1781 O TRP A 109 15.312 2.760 -1.510 1.00 0.00 O ATOM 1782 CB TRP A 109 12.723 4.131 0.343 1.00 0.00 C ATOM 1783 CG TRP A 109 13.475 5.437 0.036 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.427 6.113 -1.196 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.348 6.164 0.826 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.267 7.242 -1.212 1.00 0.00 N ATOM 1787 CE2 TRP A 109 14.812 7.265 0.062 1.00 0.00 C ATOM 1788 CE3 TRP A 109 14.813 5.964 2.152 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.737 8.176 0.620 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 15.725 6.877 2.683 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.174 7.970 1.930 1.00 0.00 C ATOM 0 H TRP A 109 15.456 2.918 0.906 1.00 0.00 H new ATOM 0 HA TRP A 109 12.758 1.990 0.185 1.00 0.00 H new ATOM 0 HB2 TRP A 109 11.821 4.109 -0.268 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.402 4.163 1.384 1.00 0.00 H new ATOM 0 HD1 TRP A 109 12.817 5.802 -2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.435 7.891 -1.981 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.469 5.124 2.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.099 9.015 0.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.090 6.739 3.690 1.00 0.00 H new ATOM 0 HH2 TRP A 109 16.871 8.666 2.371 1.00 0.00 H new ATOM 1802 N ILE A 110 13.266 2.366 -2.351 1.00 0.00 N ATOM 1803 CA ILE A 110 13.749 2.226 -3.767 1.00 0.00 C ATOM 1804 C ILE A 110 13.291 3.450 -4.630 1.00 0.00 C ATOM 1805 O ILE A 110 12.130 3.869 -4.615 1.00 0.00 O ATOM 1806 CB ILE A 110 13.388 0.823 -4.390 1.00 0.00 C ATOM 1807 CG1 ILE A 110 14.085 -0.342 -3.626 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.747 0.703 -5.902 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.605 -1.757 -3.979 1.00 0.00 C ATOM 0 H ILE A 110 12.259 2.244 -2.243 1.00 0.00 H new ATOM 0 HA ILE A 110 14.839 2.245 -3.762 1.00 0.00 H new ATOM 0 HB ILE A 110 12.305 0.746 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 110 15.157 -0.285 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.942 -0.187 -2.557 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.471 -0.288 -6.264 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.203 1.460 -6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.819 0.852 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 110 14.158 -2.487 -3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.541 -1.845 -3.761 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.775 -1.945 -5.039 1.00 0.00 H new ATOM 1821 N GLU A 111 14.240 3.971 -5.426 1.00 0.00 N ATOM 1822 CA GLU A 111 14.013 5.083 -6.389 1.00 0.00 C ATOM 1823 C GLU A 111 14.414 4.583 -7.813 1.00 0.00 C ATOM 1824 O GLU A 111 15.592 4.596 -8.189 1.00 0.00 O ATOM 1825 CB GLU A 111 14.848 6.308 -5.915 1.00 0.00 C ATOM 1826 CG GLU A 111 14.353 6.985 -4.618 1.00 0.00 C ATOM 1827 CD GLU A 111 13.337 8.108 -4.797 1.00 0.00 C ATOM 1828 OE1 GLU A 111 13.617 9.299 -4.713 1.00 0.00 O ATOM 1829 OE2 GLU A 111 12.082 7.641 -5.042 1.00 0.00 O ATOM 0 H GLU A 111 15.202 3.633 -5.425 1.00 0.00 H new ATOM 0 HA GLU A 111 12.969 5.392 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.879 5.988 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.856 7.051 -6.712 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.912 6.221 -3.978 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.217 7.385 -4.087 1.00 0.00 H new ATOM 1837 N GLY A 112 13.432 4.086 -8.591 1.00 0.00 N ATOM 1838 CA GLY A 112 13.695 3.461 -9.919 1.00 0.00 C ATOM 1839 C GLY A 112 14.346 2.062 -9.838 1.00 0.00 C ATOM 1840 O GLY A 112 13.707 1.109 -9.389 1.00 0.00 O ATOM 0 H GLY A 112 12.446 4.102 -8.329 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.755 3.382 -10.464 1.00 0.00 H new ATOM 0 HA3 GLY A 112 14.344 4.119 -10.497 1.00 0.00 H new ATOM 1844 N ASP A 113 15.627 1.959 -10.226 1.00 0.00 N ATOM 1845 CA ASP A 113 16.475 0.769 -9.899 1.00 0.00 C ATOM 1846 C ASP A 113 17.639 1.057 -8.881 1.00 0.00 C ATOM 1847 O ASP A 113 18.729 0.484 -9.021 1.00 0.00 O ATOM 1848 CB ASP A 113 16.931 0.094 -11.228 1.00 0.00 C ATOM 1849 CG ASP A 113 17.898 0.865 -12.135 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.598 1.270 -13.254 1.00 0.00 O ATOM 1851 OD2 ASP A 113 19.122 1.037 -11.553 1.00 0.00 O ATOM 0 H ASP A 113 16.111 2.677 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 113 15.865 0.056 -9.344 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.398 -0.858 -10.975 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.038 -0.134 -11.810 1.00 0.00 H new ATOM 1857 N GLU A 114 17.415 1.914 -7.865 1.00 0.00 N ATOM 1858 CA GLU A 114 18.425 2.244 -6.827 1.00 0.00 C ATOM 1859 C GLU A 114 17.809 2.117 -5.401 1.00 0.00 C ATOM 1860 O GLU A 114 16.751 2.678 -5.111 1.00 0.00 O ATOM 1861 CB GLU A 114 19.015 3.663 -7.044 1.00 0.00 C ATOM 1862 CG GLU A 114 20.031 3.782 -8.206 1.00 0.00 C ATOM 1863 CD GLU A 114 20.669 5.161 -8.379 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.613 6.072 -7.556 1.00 0.00 O ATOM 1865 OE2 GLU A 114 21.331 5.263 -9.564 1.00 0.00 O ATOM 0 H GLU A 114 16.528 2.401 -7.737 1.00 0.00 H new ATOM 0 HA GLU A 114 19.241 1.527 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.194 4.356 -7.227 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.502 3.982 -6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.824 3.050 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.528 3.514 -9.135 1.00 0.00 H new ATOM 1873 N LEU A 115 18.511 1.404 -4.509 1.00 0.00 N ATOM 1874 CA LEU A 115 18.147 1.284 -3.073 1.00 0.00 C ATOM 1875 C LEU A 115 18.851 2.413 -2.261 1.00 0.00 C ATOM 1876 O LEU A 115 20.084 2.487 -2.199 1.00 0.00 O ATOM 1877 CB LEU A 115 18.596 -0.128 -2.616 1.00 0.00 C ATOM 1878 CG LEU A 115 18.239 -0.583 -1.180 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.770 -1.035 -1.092 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.169 -1.733 -0.759 1.00 0.00 C ATOM 0 H LEU A 115 19.355 0.887 -4.756 1.00 0.00 H new ATOM 0 HA LEU A 115 17.075 1.399 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 115 18.170 -0.853 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.679 -0.183 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 115 18.373 0.262 -0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.546 -1.349 -0.073 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.117 -0.207 -1.368 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.605 -1.870 -1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.917 -2.053 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 115 19.046 -2.570 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.204 -1.392 -0.784 1.00 0.00 H new ATOM 1892 N HIS A 116 18.048 3.279 -1.638 1.00 0.00 N ATOM 1893 CA HIS A 116 18.542 4.433 -0.847 1.00 0.00 C ATOM 1894 C HIS A 116 18.344 4.120 0.667 1.00 0.00 C ATOM 1895 O HIS A 116 17.225 3.906 1.145 1.00 0.00 O ATOM 1896 CB HIS A 116 17.784 5.713 -1.284 1.00 0.00 C ATOM 1897 CG HIS A 116 18.211 6.318 -2.627 1.00 0.00 C ATOM 1898 ND1 HIS A 116 17.990 5.721 -3.862 1.00 0.00 N ATOM 1899 CD2 HIS A 116 18.887 7.540 -2.786 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.589 6.650 -4.671 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.146 7.774 -4.125 1.00 0.00 N ATOM 0 H HIS A 116 17.031 3.208 -1.662 1.00 0.00 H new ATOM 0 HA HIS A 116 19.604 4.604 -1.022 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.720 5.483 -1.333 1.00 0.00 H new ATOM 0 HB3 HIS A 116 17.911 6.470 -0.510 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.165 8.202 -1.979 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.622 6.495 -5.739 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.617 8.559 -4.575 1.00 0.00 H new ATOM 1909 N LEU A 117 19.462 4.083 1.401 1.00 0.00 N ATOM 1910 CA LEU A 117 19.507 3.677 2.828 1.00 0.00 C ATOM 1911 C LEU A 117 20.112 4.833 3.681 1.00 0.00 C ATOM 1912 O LEU A 117 21.245 5.264 3.441 1.00 0.00 O ATOM 1913 CB LEU A 117 20.351 2.371 2.896 1.00 0.00 C ATOM 1914 CG LEU A 117 20.599 1.764 4.303 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.327 1.182 4.936 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.679 0.676 4.221 1.00 0.00 C ATOM 0 H LEU A 117 20.376 4.335 1.025 1.00 0.00 H new ATOM 0 HA LEU A 117 18.515 3.483 3.236 1.00 0.00 H new ATOM 0 HB2 LEU A 117 19.857 1.616 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.320 2.570 2.437 1.00 0.00 H new ATOM 0 HG LEU A 117 20.932 2.580 4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.564 0.773 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.580 1.969 5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 117 18.933 0.391 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 117 21.847 0.255 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.351 -0.112 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.607 1.111 3.849 1.00 0.00 H new ATOM 1928 N GLU A 118 19.389 5.295 4.713 1.00 0.00 N ATOM 1929 CA GLU A 118 19.945 6.248 5.716 1.00 0.00 C ATOM 1930 C GLU A 118 20.030 5.554 7.107 1.00 0.00 C ATOM 1931 O GLU A 118 19.001 5.277 7.731 1.00 0.00 O ATOM 1932 CB GLU A 118 19.124 7.563 5.751 1.00 0.00 C ATOM 1933 CG GLU A 118 19.203 8.398 4.449 1.00 0.00 C ATOM 1934 CD GLU A 118 18.682 9.835 4.541 1.00 0.00 C ATOM 1935 OE1 GLU A 118 18.282 10.368 5.574 1.00 0.00 O ATOM 1936 OE2 GLU A 118 18.732 10.459 3.328 1.00 0.00 O ATOM 0 H GLU A 118 18.419 5.031 4.884 1.00 0.00 H new ATOM 0 HA GLU A 118 20.957 6.531 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.080 7.321 5.951 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.474 8.174 6.583 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.243 8.430 4.124 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.642 7.878 3.673 1.00 0.00 H new ATOM 1944 N MET A 119 21.255 5.265 7.581 1.00 0.00 N ATOM 1945 CA MET A 119 21.488 4.562 8.875 1.00 0.00 C ATOM 1946 C MET A 119 21.899 5.570 9.987 1.00 0.00 C ATOM 1947 O MET A 119 22.845 6.340 9.809 1.00 0.00 O ATOM 1948 CB MET A 119 22.577 3.467 8.734 1.00 0.00 C ATOM 1949 CG MET A 119 22.391 2.387 7.651 1.00 0.00 C ATOM 1950 SD MET A 119 23.661 1.114 7.811 1.00 0.00 S ATOM 1951 CE MET A 119 25.104 1.999 7.192 1.00 0.00 C ATOM 0 H MET A 119 22.114 5.507 7.087 1.00 0.00 H new ATOM 0 HA MET A 119 20.550 4.084 9.158 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.528 3.966 8.546 1.00 0.00 H new ATOM 0 HB3 MET A 119 22.667 2.962 9.696 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.402 1.937 7.742 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.445 2.841 6.662 1.00 0.00 H new ATOM 0 HE1 MET A 119 25.940 1.307 7.093 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.875 2.433 6.219 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.371 2.793 7.890 1.00 0.00 H new ATOM 1961 N ARG A 120 21.207 5.559 11.133 1.00 0.00 N ATOM 1962 CA ARG A 120 21.372 6.587 12.203 1.00 0.00 C ATOM 1963 C ARG A 120 21.905 5.942 13.517 1.00 0.00 C ATOM 1964 O ARG A 120 21.437 4.872 13.921 1.00 0.00 O ATOM 1965 CB ARG A 120 20.003 7.278 12.469 1.00 0.00 C ATOM 1966 CG ARG A 120 19.347 7.957 11.237 1.00 0.00 C ATOM 1967 CD ARG A 120 18.067 8.762 11.531 1.00 0.00 C ATOM 1968 NE ARG A 120 18.368 10.134 12.029 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.486 11.225 11.269 1.00 0.00 C ATOM 1970 NH1 ARG A 120 18.384 11.235 9.955 1.00 0.00 N ATOM 1971 NH2 ARG A 120 18.732 12.357 11.866 1.00 0.00 N ATOM 0 H ARG A 120 20.515 4.844 11.358 1.00 0.00 H new ATOM 0 HA ARG A 120 22.100 7.327 11.869 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.311 6.534 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.140 8.030 13.246 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.078 8.623 10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.111 7.188 10.502 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.466 8.830 10.624 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.468 8.232 12.271 1.00 0.00 H new ATOM 0 HE ARG A 120 18.494 10.249 13.035 1.00 0.00 H new ATOM 0 HH11 ARG A 120 18.203 10.367 9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 120 18.486 12.111 9.442 1.00 0.00 H new ATOM 0 HH21 ARG A 120 18.828 12.388 12.881 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.829 13.212 11.318 1.00 0.00 H new ATOM 1985 N ALA A 121 22.863 6.595 14.201 1.00 0.00 N ATOM 1986 CA ALA A 121 23.306 6.183 15.562 1.00 0.00 C ATOM 1987 C ALA A 121 23.958 7.369 16.326 1.00 0.00 C ATOM 1988 O ALA A 121 24.841 8.059 15.808 1.00 0.00 O ATOM 1989 CB ALA A 121 24.271 4.986 15.498 1.00 0.00 C ATOM 0 H ALA A 121 23.351 7.414 13.839 1.00 0.00 H new ATOM 0 HA ALA A 121 22.418 5.872 16.112 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.576 4.710 16.507 1.00 0.00 H new ATOM 0 HB2 ALA A 121 23.771 4.140 15.026 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.151 5.259 14.915 1.00 0.00 H new ATOM 1995 N GLU A 122 23.505 7.619 17.566 1.00 0.00 N ATOM 1996 CA GLU A 122 23.960 8.770 18.417 1.00 0.00 C ATOM 1997 C GLU A 122 23.763 10.203 17.793 1.00 0.00 C ATOM 1998 O GLU A 122 24.621 11.082 17.920 1.00 0.00 O ATOM 1999 CB GLU A 122 25.373 8.527 19.032 1.00 0.00 C ATOM 2000 CG GLU A 122 25.607 7.141 19.691 1.00 0.00 C ATOM 2001 CD GLU A 122 26.836 7.055 20.594 1.00 0.00 C ATOM 2002 OE1 GLU A 122 27.976 7.334 20.236 1.00 0.00 O ATOM 2003 OE2 GLU A 122 26.525 6.618 21.846 1.00 0.00 O ATOM 0 H GLU A 122 22.807 7.033 18.024 1.00 0.00 H new ATOM 0 HA GLU A 122 23.259 8.788 19.251 1.00 0.00 H new ATOM 0 HB2 GLU A 122 26.116 8.662 18.246 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.557 9.297 19.781 1.00 0.00 H new ATOM 0 HG2 GLU A 122 24.725 6.880 20.277 1.00 0.00 H new ATOM 0 HG3 GLU A 122 25.700 6.392 18.904 1.00 0.00 H new ATOM 2011 N GLY A 123 22.638 10.422 17.084 1.00 0.00 N ATOM 2012 CA GLY A 123 22.476 11.589 16.168 1.00 0.00 C ATOM 2013 C GLY A 123 23.296 11.673 14.849 1.00 0.00 C ATOM 2014 O GLY A 123 23.251 12.721 14.204 1.00 0.00 O ATOM 0 H GLY A 123 21.823 9.810 17.122 1.00 0.00 H new ATOM 0 HA2 GLY A 123 21.422 11.641 15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 123 22.701 12.486 16.745 1.00 0.00 H new ATOM 2018 N VAL A 124 24.013 10.614 14.435 1.00 0.00 N ATOM 2019 CA VAL A 124 24.918 10.644 13.247 1.00 0.00 C ATOM 2020 C VAL A 124 24.313 9.742 12.125 1.00 0.00 C ATOM 2021 O VAL A 124 24.088 8.546 12.334 1.00 0.00 O ATOM 2022 CB VAL A 124 26.360 10.177 13.639 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.318 10.150 12.431 1.00 0.00 C ATOM 2024 CG2 VAL A 124 27.039 11.033 14.737 1.00 0.00 C ATOM 0 H VAL A 124 23.990 9.709 14.906 1.00 0.00 H new ATOM 0 HA VAL A 124 25.000 11.665 12.874 1.00 0.00 H new ATOM 0 HB VAL A 124 26.193 9.173 14.030 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.304 9.820 12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.935 9.461 11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.393 11.150 12.004 1.00 0.00 H new ATOM 0 HG21 VAL A 124 28.033 10.637 14.944 1.00 0.00 H new ATOM 0 HG22 VAL A 124 27.123 12.064 14.394 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.439 11.001 15.646 1.00 0.00 H new ATOM 2034 N THR A 125 24.128 10.310 10.922 1.00 0.00 N ATOM 2035 CA THR A 125 23.484 9.602 9.775 1.00 0.00 C ATOM 2036 C THR A 125 24.541 9.208 8.688 1.00 0.00 C ATOM 2037 O THR A 125 25.220 10.071 8.123 1.00 0.00 O ATOM 2038 CB THR A 125 22.318 10.467 9.202 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.410 10.801 10.247 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.472 9.766 8.124 1.00 0.00 C ATOM 0 H THR A 125 24.414 11.265 10.706 1.00 0.00 H new ATOM 0 HA THR A 125 23.052 8.666 10.128 1.00 0.00 H new ATOM 0 HB THR A 125 22.809 11.332 8.755 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.992 11.666 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.686 10.440 7.783 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.108 9.495 7.282 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.022 8.866 8.543 1.00 0.00 H new ATOM 2048 N CYS A 126 24.628 7.907 8.356 1.00 0.00 N ATOM 2049 CA CYS A 126 25.319 7.415 7.134 1.00 0.00 C ATOM 2050 C CYS A 126 24.323 7.231 5.949 1.00 0.00 C ATOM 2051 O CYS A 126 23.338 6.492 6.048 1.00 0.00 O ATOM 2052 CB CYS A 126 26.010 6.082 7.482 1.00 0.00 C ATOM 2053 SG CYS A 126 26.688 5.260 5.999 1.00 0.00 S ATOM 0 H CYS A 126 24.224 7.161 8.923 1.00 0.00 H new ATOM 0 HA CYS A 126 26.057 8.149 6.811 1.00 0.00 H new ATOM 0 HB2 CYS A 126 26.814 6.265 8.195 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.296 5.419 7.970 1.00 0.00 H new ATOM 0 HG CYS A 126 27.590 4.395 6.357 1.00 0.00 H new ATOM 2059 N LYS A 127 24.607 7.886 4.815 1.00 0.00 N ATOM 2060 CA LYS A 127 23.784 7.778 3.578 1.00 0.00 C ATOM 2061 C LYS A 127 24.450 6.765 2.590 1.00 0.00 C ATOM 2062 O LYS A 127 25.556 6.999 2.092 1.00 0.00 O ATOM 2063 CB LYS A 127 23.650 9.197 2.961 1.00 0.00 C ATOM 2064 CG LYS A 127 22.723 10.190 3.712 1.00 0.00 C ATOM 2065 CD LYS A 127 22.987 11.676 3.388 1.00 0.00 C ATOM 2066 CE LYS A 127 22.799 12.072 1.910 1.00 0.00 C ATOM 2067 NZ LYS A 127 23.250 13.462 1.691 1.00 0.00 N ATOM 0 H LYS A 127 25.410 8.507 4.718 1.00 0.00 H new ATOM 0 HA LYS A 127 22.786 7.399 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.645 9.638 2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 127 23.283 9.093 1.940 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.687 9.956 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 127 22.841 10.038 4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.322 12.287 3.998 1.00 0.00 H new ATOM 0 HD3 LYS A 127 24.007 11.920 3.685 1.00 0.00 H new ATOM 0 HE2 LYS A 127 23.364 11.394 1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 127 21.750 11.974 1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 23.010 13.757 0.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 22.778 14.091 2.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 24.280 13.518 1.824 1.00 0.00 H new ATOM 2080 N GLN A 128 23.779 5.632 2.318 1.00 0.00 N ATOM 2081 CA GLN A 128 24.304 4.564 1.420 1.00 0.00 C ATOM 2082 C GLN A 128 23.349 4.343 0.209 1.00 0.00 C ATOM 2083 O GLN A 128 22.161 4.050 0.380 1.00 0.00 O ATOM 2084 CB GLN A 128 24.541 3.250 2.212 1.00 0.00 C ATOM 2085 CG GLN A 128 25.704 3.327 3.241 1.00 0.00 C ATOM 2086 CD GLN A 128 26.321 2.035 3.793 1.00 0.00 C ATOM 2087 OE1 GLN A 128 27.509 1.985 4.086 1.00 0.00 O ATOM 2088 NE2 GLN A 128 25.588 0.962 3.974 1.00 0.00 N ATOM 0 H GLN A 128 22.860 5.422 2.708 1.00 0.00 H new ATOM 0 HA GLN A 128 25.267 4.886 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.623 2.985 2.737 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.748 2.446 1.506 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.508 3.900 2.780 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.347 3.906 4.092 1.00 0.00 H new ATOM 0 HE21 GLN A 128 24.596 0.976 3.738 1.00 0.00 H new ATOM 0 HE22 GLN A 128 26.010 0.113 4.351 1.00 0.00 H new ATOM 2097 N VAL A 129 23.880 4.470 -1.019 1.00 0.00 N ATOM 2098 CA VAL A 129 23.088 4.274 -2.274 1.00 0.00 C ATOM 2099 C VAL A 129 23.622 2.996 -2.999 1.00 0.00 C ATOM 2100 O VAL A 129 24.828 2.857 -3.225 1.00 0.00 O ATOM 2101 CB VAL A 129 23.110 5.546 -3.195 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.211 5.381 -4.446 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.641 6.845 -2.496 1.00 0.00 C ATOM 0 H VAL A 129 24.858 4.708 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 129 22.038 4.128 -2.023 1.00 0.00 H new ATOM 0 HB VAL A 129 24.162 5.637 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.260 6.286 -5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.559 4.532 -5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.181 5.208 -4.134 1.00 0.00 H new ATOM 0 HG21 VAL A 129 22.687 7.675 -3.201 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.616 6.721 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.290 7.055 -1.646 1.00 0.00 H new ATOM 2113 N PHE A 130 22.714 2.088 -3.393 1.00 0.00 N ATOM 2114 CA PHE A 130 23.060 0.848 -4.146 1.00 0.00 C ATOM 2115 C PHE A 130 22.262 0.768 -5.483 1.00 0.00 C ATOM 2116 O PHE A 130 21.096 1.158 -5.532 1.00 0.00 O ATOM 2117 CB PHE A 130 22.755 -0.452 -3.347 1.00 0.00 C ATOM 2118 CG PHE A 130 23.363 -0.677 -1.957 1.00 0.00 C ATOM 2119 CD1 PHE A 130 22.888 0.041 -0.855 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.291 -1.703 -1.759 1.00 0.00 C ATOM 2121 CE1 PHE A 130 23.348 -0.252 0.425 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.747 -2.000 -0.478 1.00 0.00 C ATOM 2123 CZ PHE A 130 24.276 -1.274 0.614 1.00 0.00 C ATOM 0 H PHE A 130 21.716 2.183 -3.204 1.00 0.00 H new ATOM 0 HA PHE A 130 24.133 0.911 -4.330 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.672 -0.515 -3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 130 23.062 -1.291 -3.971 1.00 0.00 H new ATOM 0 HD1 PHE A 130 22.161 0.827 -0.998 1.00 0.00 H new ATOM 0 HD2 PHE A 130 24.656 -2.268 -2.604 1.00 0.00 H new ATOM 0 HE1 PHE A 130 22.986 0.312 1.272 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.465 -2.793 -0.330 1.00 0.00 H new ATOM 0 HZ PHE A 130 24.631 -1.504 1.608 1.00 0.00 H new ATOM 2133 N LYS A 131 22.844 0.180 -6.540 1.00 0.00 N ATOM 2134 CA LYS A 131 22.142 -0.055 -7.835 1.00 0.00 C ATOM 2135 C LYS A 131 21.790 -1.562 -8.052 1.00 0.00 C ATOM 2136 O LYS A 131 22.559 -2.454 -7.673 1.00 0.00 O ATOM 2137 CB LYS A 131 23.043 0.529 -8.952 1.00 0.00 C ATOM 2138 CG LYS A 131 22.273 0.872 -10.249 1.00 0.00 C ATOM 2139 CD LYS A 131 23.141 1.584 -11.301 1.00 0.00 C ATOM 2140 CE LYS A 131 22.306 2.004 -12.522 1.00 0.00 C ATOM 2141 NZ LYS A 131 23.165 2.660 -13.523 1.00 0.00 N ATOM 0 H LYS A 131 23.810 -0.149 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 131 21.175 0.448 -7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.532 1.429 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.830 -0.188 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 131 21.873 -0.046 -10.679 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.422 1.506 -10.001 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.607 2.463 -10.856 1.00 0.00 H new ATOM 0 HD3 LYS A 131 23.947 0.923 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.825 1.130 -12.961 1.00 0.00 H new ATOM 0 HE3 LYS A 131 21.512 2.683 -12.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.591 2.940 -14.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.604 3.504 -13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 23.908 2.000 -13.829 1.00 0.00 H new ATOM 2154 N LYS A 132 20.623 -1.852 -8.664 1.00 0.00 N ATOM 2155 CA LYS A 132 20.157 -3.254 -8.868 1.00 0.00 C ATOM 2156 C LYS A 132 20.888 -3.979 -10.043 1.00 0.00 C ATOM 2157 O LYS A 132 20.871 -3.502 -11.183 1.00 0.00 O ATOM 2158 CB LYS A 132 18.618 -3.264 -9.086 1.00 0.00 C ATOM 2159 CG LYS A 132 17.960 -4.598 -8.664 1.00 0.00 C ATOM 2160 CD LYS A 132 16.424 -4.572 -8.771 1.00 0.00 C ATOM 2161 CE LYS A 132 15.801 -5.821 -8.133 1.00 0.00 C ATOM 2162 NZ LYS A 132 14.330 -5.791 -8.227 1.00 0.00 N ATOM 0 H LYS A 132 19.984 -1.144 -9.026 1.00 0.00 H new ATOM 0 HA LYS A 132 20.407 -3.814 -7.967 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.170 -2.448 -8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.404 -3.076 -10.138 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.349 -5.402 -9.289 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.243 -4.827 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 132 16.038 -3.679 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.131 -4.511 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 132 16.181 -6.714 -8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 132 16.100 -5.886 -7.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 13.929 -6.554 -7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 13.979 -4.874 -7.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 14.043 -5.924 -9.218 1.00 0.00 H new ATOM 2175 N VAL A 133 21.495 -5.142 -9.759 1.00 0.00 N ATOM 2176 CA VAL A 133 22.207 -5.971 -10.789 1.00 0.00 C ATOM 2177 C VAL A 133 21.498 -7.323 -11.132 1.00 0.00 C ATOM 2178 O VAL A 133 21.480 -7.695 -12.309 1.00 0.00 O ATOM 2179 CB VAL A 133 23.738 -6.130 -10.488 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.483 -4.780 -10.553 1.00 0.00 C ATOM 2181 CG2 VAL A 133 24.104 -6.830 -9.159 1.00 0.00 C ATOM 0 H VAL A 133 21.516 -5.546 -8.823 1.00 0.00 H new ATOM 0 HA VAL A 133 22.139 -5.393 -11.710 1.00 0.00 H new ATOM 0 HB VAL A 133 24.065 -6.797 -11.285 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.540 -4.937 -10.338 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.375 -4.352 -11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 133 24.061 -4.096 -9.817 1.00 0.00 H new ATOM 0 HG21 VAL A 133 25.188 -6.882 -9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.691 -6.264 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.691 -7.839 -9.153 1.00 0.00 H new ATOM 2191 N HIS A 134 20.932 -8.066 -10.157 1.00 0.00 N ATOM 2192 CA HIS A 134 20.151 -9.298 -10.443 1.00 0.00 C ATOM 2193 C HIS A 134 18.930 -9.338 -9.490 1.00 0.00 C ATOM 2194 O HIS A 134 18.905 -10.148 -8.535 1.00 0.00 O ATOM 2195 CB HIS A 134 21.104 -10.527 -10.388 1.00 0.00 C ATOM 2196 CG HIS A 134 20.493 -11.835 -10.885 1.00 0.00 C ATOM 2197 ND1 HIS A 134 20.037 -12.840 -10.056 1.00 0.00 N ATOM 2198 CD2 HIS A 134 20.300 -12.201 -12.229 1.00 0.00 C ATOM 2199 CE1 HIS A 134 19.591 -13.738 -10.990 1.00 0.00 C ATOM 2200 NE2 HIS A 134 19.704 -13.451 -12.326 1.00 0.00 N ATOM 2201 OXT HIS A 134 17.981 -8.549 -9.703 1.00 0.00 O ATOM 0 H HIS A 134 20.999 -7.838 -9.165 1.00 0.00 H new ATOM 0 HA HIS A 134 19.733 -9.314 -11.450 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.991 -10.308 -10.982 1.00 0.00 H new ATOM 0 HB3 HIS A 134 21.436 -10.666 -9.359 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.579 -11.590 -13.075 1.00 0.00 H new ATOM 0 HE1 HIS A 134 19.150 -14.672 -10.674 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.432 -13.994 -13.146 1.00 0.00 H new