USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 852 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 71 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 75 TYR OH : rot 47:sc= -0.745 USER MOD Set 2.1: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 85 LYS NZ :NH3+ 152:sc= 0.00904 (180deg=0) USER MOD Set 3.1: A 46 THR OG1 : rot 101:sc= 0.00104 USER MOD Set 3.2: A 55 ASN : amide:sc= -0.835 X(o=-1.8,f=-2.1) USER MOD Set 3.3: B 27 HIS : no HD1:sc= -0.95 K(o=-1.8,f=-4.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0215 X(o=-0.022,f=-0.16) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.34 X(o=-0.34,f=-0.34) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.051) USER MOD Single : A 31 ASN : amide:sc=-0.00828 X(o=-0.0083,f=-0.0034) USER MOD Single : A 32 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.749 K(o=-0.75,f=-0.087) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 172:sc= -3.86! USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.125) USER MOD Single : A 73 ASN : amide:sc= -0.868 K(o=-0.87,f=-4.6!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 110:sc= 0.122 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 58:sc= 1.17 USER MOD Single : A 103 SER OG : rot 141:sc= -2.87! USER MOD Single : A 105 THR OG1 : rot 170:sc= -0.689 USER MOD Single : A 108 ASN : amide:sc= -0.399 X(o=-0.4,f=-0.46) USER MOD Single : B 13 SER OG : rot -27:sc= 0.0628 USER MOD Single : B 14 THR OG1 : rot 24:sc= 0.821 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.116 USER MOD Single : B 20 SER OG : rot 40:sc= 0.425 USER MOD Single : B 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 SER OG : rot -6:sc= 0.806! USER MOD Single : B 30 ASN : amide:sc= -0.0811 X(o=-0.081,f=-0.2) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 17 -15.591 34.735 34.157 1.00 0.00 N ATOM 2 CA SER A 17 -15.166 33.423 33.603 1.00 0.00 C ATOM 3 C SER A 17 -16.038 32.291 34.135 1.00 0.00 C ATOM 4 O SER A 17 -16.027 31.993 35.329 1.00 0.00 O ATOM 5 CB SER A 17 -13.703 33.185 33.983 1.00 0.00 C ATOM 6 OG SER A 17 -12.833 33.966 33.181 1.00 0.00 O ATOM 0 HA SER A 17 -15.276 33.440 32.519 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.553 33.431 35.034 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.461 32.129 33.865 1.00 0.00 H new ATOM 0 HG SER A 17 -11.905 33.797 33.445 1.00 0.00 H new ATOM 11 N LYS A 18 -16.794 31.663 33.239 1.00 0.00 N ATOM 12 CA LYS A 18 -17.674 30.563 33.617 1.00 0.00 C ATOM 13 C LYS A 18 -17.320 29.293 32.846 1.00 0.00 C ATOM 14 O LYS A 18 -16.926 29.355 31.681 1.00 0.00 O ATOM 15 CB LYS A 18 -19.134 30.940 33.360 1.00 0.00 C ATOM 16 CG LYS A 18 -19.651 32.035 34.278 1.00 0.00 C ATOM 17 CD LYS A 18 -21.033 31.704 34.817 1.00 0.00 C ATOM 18 CE LYS A 18 -20.954 31.028 36.176 1.00 0.00 C ATOM 19 NZ LYS A 18 -21.746 31.757 37.206 1.00 0.00 N ATOM 0 H LYS A 18 -16.815 31.897 32.247 1.00 0.00 H new ATOM 0 HA LYS A 18 -17.538 30.370 34.681 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.240 31.265 32.325 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -19.756 30.053 33.480 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.959 32.172 35.109 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -19.688 32.979 33.735 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -21.622 32.618 34.898 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -21.552 31.052 34.115 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -21.320 30.004 36.094 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -19.913 30.970 36.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -21.666 31.264 38.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -21.381 32.726 37.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -22.744 31.790 36.917 1.00 0.00 H new ATOM 33 N PRO A 19 -17.459 28.119 33.488 1.00 0.00 N ATOM 34 CA PRO A 19 -17.152 26.833 32.854 1.00 0.00 C ATOM 35 C PRO A 19 -18.152 26.476 31.758 1.00 0.00 C ATOM 36 O PRO A 19 -19.274 26.056 32.040 1.00 0.00 O ATOM 37 CB PRO A 19 -17.245 25.833 34.009 1.00 0.00 C ATOM 38 CG PRO A 19 -18.164 26.473 34.990 1.00 0.00 C ATOM 39 CD PRO A 19 -17.924 27.953 34.878 1.00 0.00 C ATOM 0 HA PRO A 19 -16.180 26.844 32.361 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -17.634 24.872 33.671 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.266 25.644 34.449 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -19.203 26.228 34.769 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -17.962 26.120 36.001 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -18.833 28.523 35.068 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -17.178 28.295 35.595 1.00 0.00 H new ATOM 47 N GLY A 20 -17.735 26.649 30.507 1.00 0.00 N ATOM 48 CA GLY A 20 -18.605 26.343 29.386 1.00 0.00 C ATOM 49 C GLY A 20 -18.462 27.343 28.256 1.00 0.00 C ATOM 50 O GLY A 20 -18.082 28.492 28.481 1.00 0.00 O ATOM 0 H GLY A 20 -16.811 26.995 30.250 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -18.377 25.344 29.015 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -19.640 26.328 29.726 1.00 0.00 H new ATOM 54 N CYS A 21 -18.776 26.909 27.039 1.00 0.00 N ATOM 55 CA CYS A 21 -18.687 27.775 25.869 1.00 0.00 C ATOM 56 C CYS A 21 -19.921 27.617 24.990 1.00 0.00 C ATOM 57 O CYS A 21 -20.070 26.620 24.285 1.00 0.00 O ATOM 58 CB CYS A 21 -17.428 27.455 25.061 1.00 0.00 C ATOM 59 SG CYS A 21 -16.818 25.753 25.281 1.00 0.00 S ATOM 0 H CYS A 21 -19.095 25.961 26.838 1.00 0.00 H new ATOM 0 HA CYS A 21 -18.632 28.808 26.214 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.635 27.622 24.004 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -16.640 28.152 25.345 1.00 0.00 H new ATOM 64 N TYR A 22 -20.804 28.607 25.039 1.00 0.00 N ATOM 65 CA TYR A 22 -22.027 28.578 24.249 1.00 0.00 C ATOM 66 C TYR A 22 -21.854 29.366 22.953 1.00 0.00 C ATOM 67 O TYR A 22 -21.598 30.570 22.974 1.00 0.00 O ATOM 68 CB TYR A 22 -23.196 29.136 25.070 1.00 0.00 C ATOM 69 CG TYR A 22 -24.323 29.707 24.237 1.00 0.00 C ATOM 70 CD1 TYR A 22 -25.170 28.878 23.511 1.00 0.00 C ATOM 71 CD2 TYR A 22 -24.537 31.076 24.180 1.00 0.00 C ATOM 72 CE1 TYR A 22 -26.200 29.401 22.750 1.00 0.00 C ATOM 73 CE2 TYR A 22 -25.564 31.608 23.424 1.00 0.00 C ATOM 74 CZ TYR A 22 -26.392 30.767 22.711 1.00 0.00 C ATOM 75 OH TYR A 22 -27.415 31.292 21.956 1.00 0.00 O ATOM 0 H TYR A 22 -20.695 29.440 25.618 1.00 0.00 H new ATOM 0 HA TYR A 22 -22.246 27.543 23.986 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -23.593 28.342 25.702 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -22.820 29.914 25.734 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -25.022 27.809 23.541 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -23.890 31.738 24.736 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -26.850 28.745 22.190 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -25.717 32.677 23.392 1.00 0.00 H new ATOM 0 HH TYR A 22 -27.414 32.269 22.037 1.00 0.00 H new ATOM 85 N ASP A 23 -21.997 28.672 21.829 1.00 0.00 N ATOM 86 CA ASP A 23 -21.862 29.292 20.516 1.00 0.00 C ATOM 87 C ASP A 23 -23.129 30.060 20.156 1.00 0.00 C ATOM 88 O ASP A 23 -24.153 29.920 20.819 1.00 0.00 O ATOM 89 CB ASP A 23 -21.560 28.222 19.459 1.00 0.00 C ATOM 90 CG ASP A 23 -21.919 28.659 18.051 1.00 0.00 C ATOM 91 OD1 ASP A 23 -21.142 29.432 17.453 1.00 0.00 O ATOM 92 OD2 ASP A 23 -22.977 28.226 17.548 1.00 0.00 O ATOM 0 H ASP A 23 -22.208 27.674 21.802 1.00 0.00 H new ATOM 0 HA ASP A 23 -21.032 29.999 20.544 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -20.500 27.972 19.496 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -22.111 27.313 19.703 1.00 0.00 H new ATOM 97 N ASN A 24 -23.055 30.877 19.111 1.00 0.00 N ATOM 98 CA ASN A 24 -24.200 31.673 18.670 1.00 0.00 C ATOM 99 C ASN A 24 -25.369 30.791 18.222 1.00 0.00 C ATOM 100 O ASN A 24 -26.329 31.282 17.629 1.00 0.00 O ATOM 101 CB ASN A 24 -23.786 32.601 17.528 1.00 0.00 C ATOM 102 CG ASN A 24 -23.788 34.061 17.938 1.00 0.00 C ATOM 103 OD1 ASN A 24 -24.743 34.545 18.546 1.00 0.00 O ATOM 104 ND2 ASN A 24 -22.715 34.770 17.607 1.00 0.00 N ATOM 0 H ASN A 24 -22.213 31.007 18.551 1.00 0.00 H new ATOM 0 HA ASN A 24 -24.535 32.265 19.522 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -22.790 32.325 17.183 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -24.465 32.462 16.687 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -22.659 35.757 17.857 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -21.947 34.327 17.103 1.00 0.00 H new ATOM 111 N GLY A 25 -25.285 29.493 18.508 1.00 0.00 N ATOM 112 CA GLY A 25 -26.347 28.581 18.126 1.00 0.00 C ATOM 113 C GLY A 25 -26.491 27.415 19.083 1.00 0.00 C ATOM 114 O GLY A 25 -27.546 27.232 19.692 1.00 0.00 O ATOM 0 H GLY A 25 -24.502 29.059 18.996 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.290 29.127 18.081 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -26.150 28.201 17.124 1.00 0.00 H new ATOM 118 N LYS A 26 -25.433 26.620 19.212 1.00 0.00 N ATOM 119 CA LYS A 26 -25.452 25.461 20.097 1.00 0.00 C ATOM 120 C LYS A 26 -24.349 25.552 21.147 1.00 0.00 C ATOM 121 O LYS A 26 -23.322 26.195 20.930 1.00 0.00 O ATOM 122 CB LYS A 26 -25.292 24.174 19.288 1.00 0.00 C ATOM 123 CG LYS A 26 -25.804 22.935 20.006 1.00 0.00 C ATOM 124 CD LYS A 26 -26.944 22.279 19.245 1.00 0.00 C ATOM 125 CE LYS A 26 -26.451 21.118 18.396 1.00 0.00 C ATOM 126 NZ LYS A 26 -27.340 19.929 18.512 1.00 0.00 N ATOM 0 H LYS A 26 -24.553 26.757 18.715 1.00 0.00 H new ATOM 0 HA LYS A 26 -26.414 25.447 20.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -25.823 24.281 18.342 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -24.238 24.035 19.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.989 22.222 20.128 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -26.142 23.207 21.006 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -27.696 21.923 19.949 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -27.430 23.017 18.607 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -26.395 21.429 17.353 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.441 20.847 18.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.970 19.159 17.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.374 19.616 19.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -28.298 20.180 18.195 1.00 0.00 H new ATOM 140 N HIS A 27 -24.570 24.903 22.286 1.00 0.00 N ATOM 141 CA HIS A 27 -23.597 24.906 23.372 1.00 0.00 C ATOM 142 C HIS A 27 -22.761 23.631 23.355 1.00 0.00 C ATOM 143 O HIS A 27 -23.296 22.527 23.255 1.00 0.00 O ATOM 144 CB HIS A 27 -24.308 25.045 24.721 1.00 0.00 C ATOM 145 CG HIS A 27 -25.665 24.413 24.754 1.00 0.00 C ATOM 146 ND1 HIS A 27 -25.862 23.065 24.972 1.00 0.00 N ATOM 147 CD2 HIS A 27 -26.898 24.950 24.596 1.00 0.00 C ATOM 148 CE1 HIS A 27 -27.156 22.802 24.945 1.00 0.00 C ATOM 149 NE2 HIS A 27 -27.806 23.928 24.719 1.00 0.00 N ATOM 0 H HIS A 27 -25.416 24.368 22.481 1.00 0.00 H new ATOM 0 HA HIS A 27 -22.932 25.758 23.229 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -23.688 24.595 25.496 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -24.404 26.103 24.964 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -27.125 25.989 24.408 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -27.606 21.830 25.084 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -28.819 24.023 24.647 1.00 0.00 H new ATOM 158 N TYR A 28 -21.444 23.791 23.454 1.00 0.00 N ATOM 159 CA TYR A 28 -20.533 22.651 23.450 1.00 0.00 C ATOM 160 C TYR A 28 -19.667 22.641 24.705 1.00 0.00 C ATOM 161 O TYR A 28 -19.563 23.647 25.408 1.00 0.00 O ATOM 162 CB TYR A 28 -19.645 22.687 22.204 1.00 0.00 C ATOM 163 CG TYR A 28 -20.421 22.687 20.905 1.00 0.00 C ATOM 164 CD1 TYR A 28 -20.814 21.495 20.310 1.00 0.00 C ATOM 165 CD2 TYR A 28 -20.760 23.878 20.276 1.00 0.00 C ATOM 166 CE1 TYR A 28 -21.523 21.491 19.124 1.00 0.00 C ATOM 167 CE2 TYR A 28 -21.469 23.883 19.090 1.00 0.00 C ATOM 168 CZ TYR A 28 -21.848 22.686 18.518 1.00 0.00 C ATOM 169 OH TYR A 28 -22.554 22.686 17.337 1.00 0.00 O ATOM 0 H TYR A 28 -20.985 24.698 23.538 1.00 0.00 H new ATOM 0 HA TYR A 28 -21.131 21.740 23.437 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -19.017 23.577 22.242 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -18.978 21.825 22.219 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -20.562 20.557 20.782 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -20.464 24.816 20.722 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -21.821 20.556 18.674 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -21.725 24.818 18.614 1.00 0.00 H new ATOM 0 HH TYR A 28 -22.702 23.609 17.044 1.00 0.00 H new ATOM 179 N GLN A 29 -19.045 21.498 24.979 1.00 0.00 N ATOM 180 CA GLN A 29 -18.188 21.354 26.146 1.00 0.00 C ATOM 181 C GLN A 29 -16.884 22.114 25.962 1.00 0.00 C ATOM 182 O GLN A 29 -16.541 22.513 24.853 1.00 0.00 O ATOM 183 CB GLN A 29 -17.901 19.875 26.404 1.00 0.00 C ATOM 184 CG GLN A 29 -19.154 19.026 26.547 1.00 0.00 C ATOM 185 CD GLN A 29 -19.740 19.083 27.944 1.00 0.00 C ATOM 186 OE1 GLN A 29 -20.933 19.328 28.120 1.00 0.00 O ATOM 187 NE2 GLN A 29 -18.900 18.855 28.948 1.00 0.00 N ATOM 0 H GLN A 29 -19.120 20.658 24.406 1.00 0.00 H new ATOM 0 HA GLN A 29 -18.709 21.775 27.006 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -17.298 19.483 25.585 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -17.304 19.783 27.312 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -19.901 19.364 25.829 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -18.918 17.991 26.298 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -17.918 18.656 28.756 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -19.237 18.879 29.910 1.00 0.00 H new ATOM 196 N ILE A 30 -16.159 22.310 27.057 1.00 0.00 N ATOM 197 CA ILE A 30 -14.891 23.023 27.004 1.00 0.00 C ATOM 198 C ILE A 30 -13.865 22.233 26.202 1.00 0.00 C ATOM 199 O ILE A 30 -13.738 21.019 26.365 1.00 0.00 O ATOM 200 CB ILE A 30 -14.328 23.295 28.412 1.00 0.00 C ATOM 201 CG1 ILE A 30 -15.442 23.767 29.349 1.00 0.00 C ATOM 202 CG2 ILE A 30 -13.212 24.329 28.343 1.00 0.00 C ATOM 203 CD1 ILE A 30 -15.355 23.176 30.738 1.00 0.00 C ATOM 0 H ILE A 30 -16.426 21.987 27.987 1.00 0.00 H new ATOM 0 HA ILE A 30 -15.084 23.979 26.517 1.00 0.00 H new ATOM 0 HB ILE A 30 -13.915 22.367 28.809 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -15.407 24.854 29.423 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -16.407 23.508 28.913 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -12.823 24.512 29.345 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -12.410 23.957 27.705 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -13.603 25.259 27.930 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -16.176 23.555 31.347 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -15.421 22.090 30.676 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -14.406 23.457 31.194 1.00 0.00 H new ATOM 215 N ASN A 31 -13.143 22.932 25.332 1.00 0.00 N ATOM 216 CA ASN A 31 -12.126 22.308 24.494 1.00 0.00 C ATOM 217 C ASN A 31 -12.754 21.359 23.477 1.00 0.00 C ATOM 218 O ASN A 31 -12.043 20.636 22.776 1.00 0.00 O ATOM 219 CB ASN A 31 -11.106 21.556 25.353 1.00 0.00 C ATOM 220 CG ASN A 31 -10.172 22.492 26.094 1.00 0.00 C ATOM 221 OD1 ASN A 31 -9.427 23.259 25.482 1.00 0.00 O ATOM 222 ND2 ASN A 31 -10.207 22.435 27.420 1.00 0.00 N ATOM 0 H ASN A 31 -13.245 23.937 25.189 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.613 23.101 23.950 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.633 20.929 26.072 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.521 20.891 24.718 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.601 23.042 27.973 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.840 21.785 27.886 1.00 0.00 H new ATOM 229 N GLN A 32 -14.084 21.370 23.381 1.00 0.00 N ATOM 230 CA GLN A 32 -14.775 20.512 22.425 1.00 0.00 C ATOM 231 C GLN A 32 -14.530 21.002 21.003 1.00 0.00 C ATOM 232 O GLN A 32 -13.929 22.057 20.797 1.00 0.00 O ATOM 233 CB GLN A 32 -16.275 20.480 22.714 1.00 0.00 C ATOM 234 CG GLN A 32 -16.816 19.079 22.936 1.00 0.00 C ATOM 235 CD GLN A 32 -18.296 18.969 22.630 1.00 0.00 C ATOM 236 OE1 GLN A 32 -19.092 18.581 23.485 1.00 0.00 O ATOM 237 NE2 GLN A 32 -18.674 19.309 21.403 1.00 0.00 N ATOM 0 H GLN A 32 -14.696 21.957 23.947 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.380 19.501 22.526 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -16.480 21.085 23.597 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -16.808 20.940 21.882 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -16.266 18.378 22.308 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.640 18.786 23.971 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.981 19.626 20.725 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.658 19.254 21.139 1.00 0.00 H new ATOM 246 N GLN A 33 -14.996 20.235 20.022 1.00 0.00 N ATOM 247 CA GLN A 33 -14.816 20.605 18.622 1.00 0.00 C ATOM 248 C GLN A 33 -16.125 20.487 17.848 1.00 0.00 C ATOM 249 O GLN A 33 -16.967 19.643 18.156 1.00 0.00 O ATOM 250 CB GLN A 33 -13.747 19.725 17.970 1.00 0.00 C ATOM 251 CG GLN A 33 -12.678 19.240 18.937 1.00 0.00 C ATOM 252 CD GLN A 33 -11.999 17.968 18.465 1.00 0.00 C ATOM 253 OE1 GLN A 33 -12.029 16.945 19.148 1.00 0.00 O ATOM 254 NE2 GLN A 33 -11.382 18.029 17.291 1.00 0.00 N ATOM 0 H GLN A 33 -15.498 19.359 20.169 1.00 0.00 H new ATOM 0 HA GLN A 33 -14.491 21.645 18.592 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -14.230 18.861 17.514 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -13.269 20.285 17.166 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.929 20.021 19.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -13.129 19.066 19.914 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.383 18.899 16.759 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.907 17.206 16.921 1.00 0.00 H new ATOM 263 N TRP A 34 -16.280 21.333 16.835 1.00 0.00 N ATOM 264 CA TRP A 34 -17.478 21.322 16.001 1.00 0.00 C ATOM 265 C TRP A 34 -17.234 22.079 14.698 1.00 0.00 C ATOM 266 O TRP A 34 -16.270 22.835 14.581 1.00 0.00 O ATOM 267 CB TRP A 34 -18.671 21.927 16.748 1.00 0.00 C ATOM 268 CG TRP A 34 -18.503 23.367 17.104 1.00 0.00 C ATOM 269 CD1 TRP A 34 -19.064 24.420 16.461 1.00 0.00 C ATOM 270 CD2 TRP A 34 -17.741 23.913 18.188 1.00 0.00 C ATOM 271 NE1 TRP A 34 -18.698 25.598 17.065 1.00 0.00 N ATOM 272 CE2 TRP A 34 -17.884 25.313 18.131 1.00 0.00 C ATOM 273 CE3 TRP A 34 -16.951 23.358 19.200 1.00 0.00 C ATOM 274 CZ2 TRP A 34 -17.269 26.163 19.045 1.00 0.00 C ATOM 275 CZ3 TRP A 34 -16.340 24.204 20.107 1.00 0.00 C ATOM 276 CH2 TRP A 34 -16.503 25.594 20.025 1.00 0.00 C ATOM 0 H TRP A 34 -15.590 22.036 16.571 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.711 20.284 15.764 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -19.564 21.818 16.132 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -18.841 21.356 17.661 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.707 24.344 15.597 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -18.985 26.531 16.769 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -16.821 22.288 19.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -17.392 27.234 18.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -15.727 23.787 20.892 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.014 26.228 20.750 1.00 0.00 H new ATOM 287 N GLU A 35 -18.109 21.864 13.720 1.00 0.00 N ATOM 288 CA GLU A 35 -17.983 22.520 12.423 1.00 0.00 C ATOM 289 C GLU A 35 -18.663 23.886 12.424 1.00 0.00 C ATOM 290 O GLU A 35 -19.714 24.069 13.038 1.00 0.00 O ATOM 291 CB GLU A 35 -18.588 21.641 11.325 1.00 0.00 C ATOM 292 CG GLU A 35 -18.022 20.230 11.294 1.00 0.00 C ATOM 293 CD GLU A 35 -18.242 19.543 9.960 1.00 0.00 C ATOM 294 OE1 GLU A 35 -19.332 18.967 9.762 1.00 0.00 O ATOM 295 OE2 GLU A 35 -17.323 19.582 9.114 1.00 0.00 O ATOM 0 H GLU A 35 -18.912 21.241 13.801 1.00 0.00 H new ATOM 0 HA GLU A 35 -16.921 22.667 12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -19.667 21.588 11.467 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -18.417 22.113 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -16.954 20.266 11.508 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -18.486 19.639 12.084 1.00 0.00 H new ATOM 302 N ARG A 36 -18.052 24.842 11.728 1.00 0.00 N ATOM 303 CA ARG A 36 -18.592 26.194 11.640 1.00 0.00 C ATOM 304 C ARG A 36 -18.105 26.886 10.370 1.00 0.00 C ATOM 305 O ARG A 36 -16.904 27.025 10.153 1.00 0.00 O ATOM 306 CB ARG A 36 -18.186 27.011 12.868 1.00 0.00 C ATOM 307 CG ARG A 36 -19.152 28.139 13.195 1.00 0.00 C ATOM 308 CD ARG A 36 -18.477 29.497 13.100 1.00 0.00 C ATOM 309 NE ARG A 36 -19.430 30.563 12.806 1.00 0.00 N ATOM 310 CZ ARG A 36 -19.159 31.601 12.020 1.00 0.00 C ATOM 311 NH1 ARG A 36 -17.966 31.711 11.451 1.00 0.00 N ATOM 312 NH2 ARG A 36 -20.080 32.529 11.803 1.00 0.00 N ATOM 0 H ARG A 36 -17.181 24.704 11.216 1.00 0.00 H new ATOM 0 HA ARG A 36 -19.679 26.125 11.605 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -18.112 26.346 13.728 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -17.193 27.430 12.703 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.999 28.104 12.510 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.549 27.999 14.200 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -17.968 29.715 14.039 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.714 29.469 12.322 1.00 0.00 H new ATOM 0 HE ARG A 36 -20.357 30.509 13.228 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -17.255 30.999 11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -17.760 32.508 10.848 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -20.998 32.448 12.239 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.870 33.324 11.200 1.00 0.00 H new ATOM 326 N THR A 37 -19.046 27.315 9.534 1.00 0.00 N ATOM 327 CA THR A 37 -18.714 27.984 8.284 1.00 0.00 C ATOM 328 C THR A 37 -18.569 29.490 8.478 1.00 0.00 C ATOM 329 O THR A 37 -19.251 30.089 9.311 1.00 0.00 O ATOM 330 CB THR A 37 -19.782 27.719 7.206 1.00 0.00 C ATOM 331 OG1 THR A 37 -20.178 26.343 7.235 1.00 0.00 O ATOM 332 CG2 THR A 37 -19.255 28.071 5.823 1.00 0.00 C ATOM 0 H THR A 37 -20.047 27.210 9.702 1.00 0.00 H new ATOM 0 HA THR A 37 -17.760 27.573 7.954 1.00 0.00 H new ATOM 0 HB THR A 37 -20.645 28.349 7.420 1.00 0.00 H new ATOM 0 HG1 THR A 37 -20.858 26.184 6.548 1.00 0.00 H new ATOM 0 HG21 THR A 37 -20.027 27.875 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 37 -18.983 29.126 5.795 1.00 0.00 H new ATOM 0 HG23 THR A 37 -18.377 27.464 5.603 1.00 0.00 H new ATOM 340 N TYR A 38 -17.676 30.095 7.700 1.00 0.00 N ATOM 341 CA TYR A 38 -17.434 31.530 7.774 1.00 0.00 C ATOM 342 C TYR A 38 -17.338 32.129 6.373 1.00 0.00 C ATOM 343 O TYR A 38 -16.323 31.974 5.691 1.00 0.00 O ATOM 344 CB TYR A 38 -16.152 31.811 8.571 1.00 0.00 C ATOM 345 CG TYR A 38 -15.487 33.137 8.252 1.00 0.00 C ATOM 346 CD1 TYR A 38 -16.213 34.324 8.238 1.00 0.00 C ATOM 347 CD2 TYR A 38 -14.127 33.199 7.967 1.00 0.00 C ATOM 348 CE1 TYR A 38 -15.604 35.530 7.951 1.00 0.00 C ATOM 349 CE2 TYR A 38 -13.512 34.402 7.678 1.00 0.00 C ATOM 350 CZ TYR A 38 -14.254 35.564 7.671 1.00 0.00 C ATOM 351 OH TYR A 38 -13.645 36.764 7.384 1.00 0.00 O ATOM 0 H TYR A 38 -17.106 29.609 7.008 1.00 0.00 H new ATOM 0 HA TYR A 38 -18.272 31.999 8.289 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -16.388 31.785 9.635 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -15.440 31.008 8.383 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -17.271 34.302 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -13.542 32.291 7.972 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -16.182 36.442 7.946 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -12.455 34.432 7.459 1.00 0.00 H new ATOM 0 HH TYR A 38 -12.692 36.614 7.211 1.00 0.00 H new ATOM 361 N LEU A 39 -18.402 32.818 5.964 1.00 0.00 N ATOM 362 CA LEU A 39 -18.466 33.462 4.652 1.00 0.00 C ATOM 363 C LEU A 39 -18.641 32.445 3.525 1.00 0.00 C ATOM 364 O LEU A 39 -19.399 32.682 2.583 1.00 0.00 O ATOM 365 CB LEU A 39 -17.217 34.314 4.408 1.00 0.00 C ATOM 366 CG LEU A 39 -17.432 35.826 4.522 1.00 0.00 C ATOM 367 CD1 LEU A 39 -18.104 36.178 5.841 1.00 0.00 C ATOM 368 CD2 LEU A 39 -16.110 36.564 4.379 1.00 0.00 C ATOM 0 H LEU A 39 -19.241 32.946 6.530 1.00 0.00 H new ATOM 0 HA LEU A 39 -19.343 34.109 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -16.448 34.017 5.121 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -16.832 34.091 3.413 1.00 0.00 H new ATOM 0 HG LEU A 39 -18.091 36.140 3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -18.247 37.257 5.900 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -19.072 35.680 5.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -17.475 35.849 6.669 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.282 37.637 4.463 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.427 36.243 5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.672 36.341 3.406 1.00 0.00 H new ATOM 380 N GLY A 40 -17.943 31.319 3.618 1.00 0.00 N ATOM 381 CA GLY A 40 -18.047 30.300 2.589 1.00 0.00 C ATOM 382 C GLY A 40 -17.113 29.126 2.819 1.00 0.00 C ATOM 383 O GLY A 40 -17.064 28.201 2.008 1.00 0.00 O ATOM 0 H GLY A 40 -17.309 31.093 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.074 29.937 2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.827 30.747 1.619 1.00 0.00 H new ATOM 387 N ASN A 41 -16.374 29.159 3.923 1.00 0.00 N ATOM 388 CA ASN A 41 -15.446 28.086 4.249 1.00 0.00 C ATOM 389 C ASN A 41 -15.832 27.409 5.555 1.00 0.00 C ATOM 390 O ASN A 41 -16.246 28.066 6.505 1.00 0.00 O ATOM 391 CB ASN A 41 -14.016 28.621 4.352 1.00 0.00 C ATOM 392 CG ASN A 41 -13.971 30.117 4.590 1.00 0.00 C ATOM 393 OD1 ASN A 41 -14.007 30.909 3.647 1.00 0.00 O ATOM 394 ND2 ASN A 41 -13.893 30.514 5.855 1.00 0.00 N ATOM 0 H ASN A 41 -16.401 29.917 4.605 1.00 0.00 H new ATOM 0 HA ASN A 41 -15.495 27.351 3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.499 28.111 5.165 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -13.477 28.386 3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.861 31.509 6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.866 29.824 6.605 1.00 0.00 H new ATOM 401 N ALA A 42 -15.682 26.092 5.601 1.00 0.00 N ATOM 402 CA ALA A 42 -16.007 25.338 6.796 1.00 0.00 C ATOM 403 C ALA A 42 -14.764 25.118 7.643 1.00 0.00 C ATOM 404 O ALA A 42 -13.837 24.419 7.240 1.00 0.00 O ATOM 405 CB ALA A 42 -16.658 24.012 6.436 1.00 0.00 C ATOM 0 H ALA A 42 -15.338 25.528 4.824 1.00 0.00 H new ATOM 0 HA ALA A 42 -16.721 25.916 7.382 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.893 23.463 7.348 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -17.575 24.197 5.877 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.973 23.424 5.825 1.00 0.00 H new ATOM 411 N LEU A 43 -14.749 25.746 8.810 1.00 0.00 N ATOM 412 CA LEU A 43 -13.615 25.650 9.715 1.00 0.00 C ATOM 413 C LEU A 43 -13.980 24.886 10.985 1.00 0.00 C ATOM 414 O LEU A 43 -15.115 24.952 11.458 1.00 0.00 O ATOM 415 CB LEU A 43 -13.128 27.052 10.078 1.00 0.00 C ATOM 416 CG LEU A 43 -13.283 28.089 8.964 1.00 0.00 C ATOM 417 CD1 LEU A 43 -14.689 28.662 8.965 1.00 0.00 C ATOM 418 CD2 LEU A 43 -12.261 29.198 9.114 1.00 0.00 C ATOM 0 H LEU A 43 -15.513 26.329 9.152 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.821 25.102 9.208 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.675 27.396 10.956 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.077 26.995 10.360 1.00 0.00 H new ATOM 0 HG LEU A 43 -13.110 27.592 8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.782 29.398 8.167 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.409 27.860 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -14.886 29.140 9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.391 29.923 8.311 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -12.399 29.693 10.075 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.257 28.777 9.064 1.00 0.00 H new ATOM 430 N VAL A 44 -13.003 24.175 11.538 1.00 0.00 N ATOM 431 CA VAL A 44 -13.209 23.412 12.762 1.00 0.00 C ATOM 432 C VAL A 44 -12.978 24.302 13.979 1.00 0.00 C ATOM 433 O VAL A 44 -11.840 24.636 14.311 1.00 0.00 O ATOM 434 CB VAL A 44 -12.262 22.196 12.824 1.00 0.00 C ATOM 435 CG1 VAL A 44 -12.288 21.556 14.202 1.00 0.00 C ATOM 436 CG2 VAL A 44 -12.632 21.181 11.752 1.00 0.00 C ATOM 0 H VAL A 44 -12.059 24.112 11.156 1.00 0.00 H new ATOM 0 HA VAL A 44 -14.237 23.050 12.764 1.00 0.00 H new ATOM 0 HB VAL A 44 -11.246 22.544 12.635 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -11.612 20.701 14.219 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -11.970 22.285 14.948 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -13.301 21.222 14.429 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -11.955 20.329 11.809 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.656 20.842 11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.551 21.644 10.769 1.00 0.00 H new ATOM 446 N CYS A 45 -14.069 24.700 14.626 1.00 0.00 N ATOM 447 CA CYS A 45 -13.992 25.574 15.792 1.00 0.00 C ATOM 448 C CYS A 45 -13.672 24.800 17.067 1.00 0.00 C ATOM 449 O CYS A 45 -14.148 23.682 17.269 1.00 0.00 O ATOM 450 CB CYS A 45 -15.308 26.334 15.966 1.00 0.00 C ATOM 451 SG CYS A 45 -15.172 28.130 15.687 1.00 0.00 S ATOM 0 H CYS A 45 -15.017 24.431 14.363 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.179 26.279 15.618 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -16.046 25.925 15.276 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -15.685 26.161 16.974 1.00 0.00 H new ATOM 456 N THR A 46 -12.871 25.422 17.927 1.00 0.00 N ATOM 457 CA THR A 46 -12.481 24.827 19.198 1.00 0.00 C ATOM 458 C THR A 46 -13.158 25.558 20.352 1.00 0.00 C ATOM 459 O THR A 46 -13.475 26.741 20.242 1.00 0.00 O ATOM 460 CB THR A 46 -10.956 24.875 19.401 1.00 0.00 C ATOM 461 OG1 THR A 46 -10.287 24.748 18.140 1.00 0.00 O ATOM 462 CG2 THR A 46 -10.498 23.766 20.337 1.00 0.00 C ATOM 0 H THR A 46 -12.476 26.348 17.762 1.00 0.00 H new ATOM 0 HA THR A 46 -12.798 23.784 19.180 1.00 0.00 H new ATOM 0 HB THR A 46 -10.704 25.836 19.850 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.988 25.631 17.838 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.417 23.821 20.465 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.984 23.883 21.305 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.764 22.798 19.912 1.00 0.00 H new ATOM 470 N CYS A 47 -13.388 24.850 21.450 1.00 0.00 N ATOM 471 CA CYS A 47 -14.040 25.443 22.612 1.00 0.00 C ATOM 472 C CYS A 47 -13.021 25.909 23.649 1.00 0.00 C ATOM 473 O CYS A 47 -12.009 25.248 23.881 1.00 0.00 O ATOM 474 CB CYS A 47 -15.003 24.438 23.241 1.00 0.00 C ATOM 475 SG CYS A 47 -16.717 25.037 23.385 1.00 0.00 S ATOM 0 H CYS A 47 -13.134 23.868 21.561 1.00 0.00 H new ATOM 0 HA CYS A 47 -14.597 26.317 22.273 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -14.998 23.525 22.646 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.638 24.174 24.233 1.00 0.00 H new ATOM 480 N TYR A 48 -13.302 27.050 24.273 1.00 0.00 N ATOM 481 CA TYR A 48 -12.419 27.605 25.294 1.00 0.00 C ATOM 482 C TYR A 48 -13.138 27.693 26.634 1.00 0.00 C ATOM 483 O TYR A 48 -12.553 27.428 27.685 1.00 0.00 O ATOM 484 CB TYR A 48 -11.918 28.992 24.880 1.00 0.00 C ATOM 485 CG TYR A 48 -10.780 28.959 23.884 1.00 0.00 C ATOM 486 CD1 TYR A 48 -10.846 28.162 22.748 1.00 0.00 C ATOM 487 CD2 TYR A 48 -9.640 29.729 24.078 1.00 0.00 C ATOM 488 CE1 TYR A 48 -9.809 28.134 21.835 1.00 0.00 C ATOM 489 CE2 TYR A 48 -8.599 29.706 23.170 1.00 0.00 C ATOM 490 CZ TYR A 48 -8.688 28.907 22.050 1.00 0.00 C ATOM 491 OH TYR A 48 -7.654 28.882 21.142 1.00 0.00 O ATOM 0 H TYR A 48 -14.135 27.609 24.089 1.00 0.00 H new ATOM 0 HA TYR A 48 -11.562 26.939 25.397 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -12.747 29.554 24.451 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -11.594 29.531 25.770 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.722 27.554 22.576 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.566 30.357 24.954 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -9.877 27.509 20.957 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.720 30.311 23.337 1.00 0.00 H new ATOM 0 HH TYR A 48 -6.941 29.484 21.442 1.00 0.00 H new ATOM 501 N GLY A 49 -14.415 28.062 26.586 1.00 0.00 N ATOM 502 CA GLY A 49 -15.203 28.175 27.798 1.00 0.00 C ATOM 503 C GLY A 49 -15.059 29.525 28.472 1.00 0.00 C ATOM 504 O GLY A 49 -14.060 29.787 29.142 1.00 0.00 O ATOM 0 H GLY A 49 -14.918 28.285 25.727 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -16.253 28.004 27.560 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.902 27.393 28.495 1.00 0.00 H new ATOM 508 N GLY A 50 -16.065 30.383 28.304 1.00 0.00 N ATOM 509 CA GLY A 50 -16.024 31.697 28.919 1.00 0.00 C ATOM 510 C GLY A 50 -15.977 32.824 27.906 1.00 0.00 C ATOM 511 O GLY A 50 -16.405 32.661 26.763 1.00 0.00 O ATOM 0 H GLY A 50 -16.903 30.191 27.755 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.901 31.823 29.554 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -15.150 31.762 29.567 1.00 0.00 H new ATOM 515 N SER A 51 -15.456 33.971 28.332 1.00 0.00 N ATOM 516 CA SER A 51 -15.351 35.141 27.467 1.00 0.00 C ATOM 517 C SER A 51 -14.262 34.950 26.413 1.00 0.00 C ATOM 518 O SER A 51 -14.049 35.818 25.566 1.00 0.00 O ATOM 519 CB SER A 51 -15.056 36.391 28.298 1.00 0.00 C ATOM 520 OG SER A 51 -16.134 36.691 29.168 1.00 0.00 O ATOM 0 H SER A 51 -15.098 34.115 29.276 1.00 0.00 H new ATOM 0 HA SER A 51 -16.306 35.267 26.956 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.147 36.239 28.880 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.873 37.237 27.636 1.00 0.00 H new ATOM 0 HG SER A 51 -15.920 37.493 29.689 1.00 0.00 H new ATOM 526 N ARG A 52 -13.575 33.815 26.475 1.00 0.00 N ATOM 527 CA ARG A 52 -12.507 33.517 25.528 1.00 0.00 C ATOM 528 C ARG A 52 -13.079 33.132 24.168 1.00 0.00 C ATOM 529 O ARG A 52 -12.351 33.062 23.177 1.00 0.00 O ATOM 530 CB ARG A 52 -11.625 32.386 26.062 1.00 0.00 C ATOM 531 CG ARG A 52 -10.302 32.866 26.636 1.00 0.00 C ATOM 532 CD ARG A 52 -9.742 31.878 27.645 1.00 0.00 C ATOM 533 NE ARG A 52 -8.283 31.839 27.622 1.00 0.00 N ATOM 534 CZ ARG A 52 -7.512 32.652 28.340 1.00 0.00 C ATOM 535 NH1 ARG A 52 -8.060 33.562 29.135 1.00 0.00 N ATOM 536 NH2 ARG A 52 -6.192 32.554 28.265 1.00 0.00 N ATOM 0 H ARG A 52 -13.738 33.087 27.170 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.901 34.415 25.407 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.171 31.844 26.834 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -11.427 31.679 25.256 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -9.584 33.009 25.828 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.442 33.836 27.114 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.081 32.149 28.645 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.134 30.883 27.434 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.829 31.150 27.022 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.075 33.640 29.197 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.466 34.184 29.684 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.766 31.855 27.656 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.602 33.178 28.816 1.00 0.00 H new ATOM 550 N GLY A 53 -14.384 32.884 24.130 1.00 0.00 N ATOM 551 CA GLY A 53 -15.032 32.507 22.886 1.00 0.00 C ATOM 552 C GLY A 53 -14.409 31.275 22.263 1.00 0.00 C ATOM 553 O GLY A 53 -13.643 30.564 22.913 1.00 0.00 O ATOM 0 H GLY A 53 -15.005 32.937 24.938 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.090 32.322 23.072 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.972 33.337 22.182 1.00 0.00 H new ATOM 557 N PHE A 54 -14.746 31.012 21.006 1.00 0.00 N ATOM 558 CA PHE A 54 -14.222 29.845 20.305 1.00 0.00 C ATOM 559 C PHE A 54 -13.372 30.260 19.108 1.00 0.00 C ATOM 560 O PHE A 54 -13.639 31.275 18.464 1.00 0.00 O ATOM 561 CB PHE A 54 -15.373 28.952 19.841 1.00 0.00 C ATOM 562 CG PHE A 54 -16.602 29.717 19.439 1.00 0.00 C ATOM 563 CD1 PHE A 54 -16.756 30.172 18.140 1.00 0.00 C ATOM 564 CD2 PHE A 54 -17.602 29.982 20.362 1.00 0.00 C ATOM 565 CE1 PHE A 54 -17.884 30.878 17.767 1.00 0.00 C ATOM 566 CE2 PHE A 54 -18.732 30.688 19.995 1.00 0.00 C ATOM 567 CZ PHE A 54 -18.872 31.137 18.696 1.00 0.00 C ATOM 0 H PHE A 54 -15.378 31.589 20.452 1.00 0.00 H new ATOM 0 HA PHE A 54 -13.590 29.289 20.997 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.037 28.350 18.997 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -15.632 28.260 20.643 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.985 29.973 17.410 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -17.497 29.633 21.379 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.992 31.227 16.751 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -19.504 30.888 20.723 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.754 31.690 18.407 1.00 0.00 H new ATOM 577 N ASN A 55 -12.346 29.464 18.817 1.00 0.00 N ATOM 578 CA ASN A 55 -11.451 29.742 17.699 1.00 0.00 C ATOM 579 C ASN A 55 -11.774 28.835 16.514 1.00 0.00 C ATOM 580 O ASN A 55 -11.867 27.619 16.662 1.00 0.00 O ATOM 581 CB ASN A 55 -9.994 29.546 18.136 1.00 0.00 C ATOM 582 CG ASN A 55 -9.139 28.885 17.070 1.00 0.00 C ATOM 583 OD1 ASN A 55 -9.164 27.666 16.905 1.00 0.00 O ATOM 584 ND2 ASN A 55 -8.375 29.690 16.342 1.00 0.00 N ATOM 0 H ASN A 55 -12.114 28.620 19.341 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.593 30.777 17.387 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.563 30.514 18.390 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.970 28.939 19.041 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.777 29.303 15.612 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.386 30.696 16.513 1.00 0.00 H new ATOM 591 N CYS A 56 -11.942 29.431 15.338 1.00 0.00 N ATOM 592 CA CYS A 56 -12.255 28.664 14.138 1.00 0.00 C ATOM 593 C CYS A 56 -11.070 28.636 13.180 1.00 0.00 C ATOM 594 O CYS A 56 -10.480 29.672 12.875 1.00 0.00 O ATOM 595 CB CYS A 56 -13.478 29.254 13.435 1.00 0.00 C ATOM 596 SG CYS A 56 -15.008 28.293 13.670 1.00 0.00 S ATOM 0 H CYS A 56 -11.867 30.438 15.191 1.00 0.00 H new ATOM 0 HA CYS A 56 -12.475 27.641 14.442 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -13.639 30.268 13.800 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -13.269 29.329 12.368 1.00 0.00 H new ATOM 601 N GLU A 57 -10.737 27.444 12.699 1.00 0.00 N ATOM 602 CA GLU A 57 -9.632 27.271 11.763 1.00 0.00 C ATOM 603 C GLU A 57 -10.040 26.328 10.640 1.00 0.00 C ATOM 604 O GLU A 57 -10.632 25.280 10.894 1.00 0.00 O ATOM 605 CB GLU A 57 -8.399 26.721 12.485 1.00 0.00 C ATOM 606 CG GLU A 57 -7.960 27.564 13.671 1.00 0.00 C ATOM 607 CD GLU A 57 -6.815 26.935 14.441 1.00 0.00 C ATOM 608 OE1 GLU A 57 -5.646 27.172 14.067 1.00 0.00 O ATOM 609 OE2 GLU A 57 -7.086 26.205 15.416 1.00 0.00 O ATOM 0 H GLU A 57 -11.219 26.579 12.943 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.383 28.243 11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.611 25.709 12.829 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.575 26.650 11.775 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.658 28.550 13.319 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.807 27.710 14.341 1.00 0.00 H new ATOM 616 N SER A 58 -9.733 26.712 9.400 1.00 0.00 N ATOM 617 CA SER A 58 -10.080 25.903 8.231 1.00 0.00 C ATOM 618 C SER A 58 -9.954 24.413 8.531 1.00 0.00 C ATOM 619 O SER A 58 -9.060 23.991 9.264 1.00 0.00 O ATOM 620 CB SER A 58 -9.182 26.271 7.049 1.00 0.00 C ATOM 621 OG SER A 58 -8.166 25.302 6.856 1.00 0.00 O ATOM 0 H SER A 58 -9.244 27.580 9.179 1.00 0.00 H new ATOM 0 HA SER A 58 -11.119 26.113 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.784 26.356 6.144 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.729 27.247 7.223 1.00 0.00 H new ATOM 0 HG SER A 58 -7.688 25.491 6.021 1.00 0.00 H new ATOM 627 N LYS A 59 -10.858 23.618 7.967 1.00 0.00 N ATOM 628 CA LYS A 59 -10.842 22.177 8.188 1.00 0.00 C ATOM 629 C LYS A 59 -10.007 21.471 7.124 1.00 0.00 C ATOM 630 O LYS A 59 -9.815 21.993 6.026 1.00 0.00 O ATOM 631 CB LYS A 59 -12.265 21.621 8.184 1.00 0.00 C ATOM 632 CG LYS A 59 -12.898 21.631 6.811 1.00 0.00 C ATOM 633 CD LYS A 59 -14.409 21.478 6.886 1.00 0.00 C ATOM 634 CE LYS A 59 -14.841 20.052 6.592 1.00 0.00 C ATOM 635 NZ LYS A 59 -15.442 19.921 5.235 1.00 0.00 N ATOM 0 H LYS A 59 -11.607 23.945 7.357 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.390 21.992 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -12.251 20.600 8.565 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -12.880 22.207 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.652 22.564 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.480 20.822 6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.756 21.767 7.878 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.880 22.156 6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.980 19.388 6.673 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.564 19.730 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.723 18.933 5.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.278 20.535 5.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.744 20.204 4.518 1.00 0.00 H new ATOM 649 N PRO A 60 -9.494 20.268 7.440 1.00 0.00 N ATOM 650 CA PRO A 60 -8.671 19.491 6.507 1.00 0.00 C ATOM 651 C PRO A 60 -9.430 19.114 5.238 1.00 0.00 C ATOM 652 O PRO A 60 -10.604 19.449 5.085 1.00 0.00 O ATOM 653 CB PRO A 60 -8.298 18.237 7.306 1.00 0.00 C ATOM 654 CG PRO A 60 -9.306 18.157 8.402 1.00 0.00 C ATOM 655 CD PRO A 60 -9.674 19.575 8.728 1.00 0.00 C ATOM 0 HA PRO A 60 -7.807 20.059 6.162 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.328 17.347 6.678 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.287 18.311 7.706 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.181 17.589 8.087 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.894 17.650 9.275 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -10.700 19.653 9.089 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.031 19.991 9.504 1.00 0.00 H new ATOM 663 N GLU A 61 -8.742 18.431 4.324 1.00 0.00 N ATOM 664 CA GLU A 61 -9.327 18.015 3.059 1.00 0.00 C ATOM 665 C GLU A 61 -10.565 17.152 3.230 1.00 0.00 C ATOM 666 O GLU A 61 -11.269 17.217 4.238 1.00 0.00 O ATOM 667 CB GLU A 61 -8.302 17.230 2.263 1.00 0.00 C ATOM 668 CG GLU A 61 -7.859 17.935 1.010 1.00 0.00 C ATOM 669 CD GLU A 61 -8.452 17.331 -0.248 1.00 0.00 C ATOM 670 OE1 GLU A 61 -9.612 17.660 -0.575 1.00 0.00 O ATOM 671 OE2 GLU A 61 -7.756 16.530 -0.905 1.00 0.00 O ATOM 0 H GLU A 61 -7.768 18.153 4.443 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.626 18.925 2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -7.432 17.039 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.723 16.260 1.997 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.142 18.986 1.071 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.771 17.901 0.945 1.00 0.00 H new ATOM 678 N ALA A 62 -10.814 16.338 2.212 1.00 0.00 N ATOM 679 CA ALA A 62 -11.964 15.442 2.206 1.00 0.00 C ATOM 680 C ALA A 62 -11.719 14.226 1.318 1.00 0.00 C ATOM 681 O ALA A 62 -12.309 13.166 1.524 1.00 0.00 O ATOM 682 CB ALA A 62 -13.204 16.188 1.741 1.00 0.00 C ATOM 0 H ALA A 62 -10.232 16.280 1.376 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.118 15.087 3.225 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.057 15.510 1.740 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.402 17.020 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -13.042 16.569 0.733 1.00 0.00 H new ATOM 688 N GLU A 63 -10.853 14.390 0.324 1.00 0.00 N ATOM 689 CA GLU A 63 -10.539 13.306 -0.601 1.00 0.00 C ATOM 690 C GLU A 63 -9.239 12.607 -0.212 1.00 0.00 C ATOM 691 O GLU A 63 -9.131 11.382 -0.299 1.00 0.00 O ATOM 692 CB GLU A 63 -10.433 13.842 -2.030 1.00 0.00 C ATOM 693 CG GLU A 63 -11.735 13.759 -2.809 1.00 0.00 C ATOM 694 CD GLU A 63 -11.766 12.585 -3.767 1.00 0.00 C ATOM 695 OE1 GLU A 63 -10.924 12.547 -4.689 1.00 0.00 O ATOM 696 OE2 GLU A 63 -12.634 11.702 -3.596 1.00 0.00 O ATOM 0 H GLU A 63 -10.356 15.261 0.138 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.348 12.578 -0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.105 14.881 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.664 13.283 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.568 13.675 -2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.879 14.684 -3.368 1.00 0.00 H new ATOM 703 N GLU A 64 -8.255 13.391 0.208 1.00 0.00 N ATOM 704 CA GLU A 64 -6.958 12.853 0.605 1.00 0.00 C ATOM 705 C GLU A 64 -7.089 11.898 1.786 1.00 0.00 C ATOM 706 O GLU A 64 -8.057 11.958 2.544 1.00 0.00 O ATOM 707 CB GLU A 64 -6.003 13.993 0.957 1.00 0.00 C ATOM 708 CG GLU A 64 -4.835 14.115 -0.005 1.00 0.00 C ATOM 709 CD GLU A 64 -4.304 15.531 -0.107 1.00 0.00 C ATOM 710 OE1 GLU A 64 -4.988 16.459 0.376 1.00 0.00 O ATOM 711 OE2 GLU A 64 -3.205 15.713 -0.671 1.00 0.00 O ATOM 0 H GLU A 64 -8.330 14.405 0.283 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.556 12.291 -0.238 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.557 14.932 0.967 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.620 13.839 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.032 13.453 0.320 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.147 13.777 -0.993 1.00 0.00 H new ATOM 718 N THR A 65 -6.103 11.015 1.936 1.00 0.00 N ATOM 719 CA THR A 65 -6.098 10.041 3.023 1.00 0.00 C ATOM 720 C THR A 65 -4.726 9.973 3.694 1.00 0.00 C ATOM 721 O THR A 65 -3.815 10.728 3.352 1.00 0.00 O ATOM 722 CB THR A 65 -6.463 8.632 2.518 1.00 0.00 C ATOM 723 OG1 THR A 65 -6.138 8.507 1.129 1.00 0.00 O ATOM 724 CG2 THR A 65 -7.938 8.336 2.727 1.00 0.00 C ATOM 0 H THR A 65 -5.296 10.955 1.316 1.00 0.00 H new ATOM 0 HA THR A 65 -6.845 10.373 3.744 1.00 0.00 H new ATOM 0 HB THR A 65 -5.884 7.910 3.094 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.372 7.608 0.818 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.164 7.335 2.360 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.174 8.395 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.536 9.065 2.181 1.00 0.00 H new ATOM 732 N CYS A 66 -4.590 9.054 4.645 1.00 0.00 N ATOM 733 CA CYS A 66 -3.338 8.858 5.371 1.00 0.00 C ATOM 734 C CYS A 66 -3.186 7.389 5.757 1.00 0.00 C ATOM 735 O CYS A 66 -4.122 6.781 6.273 1.00 0.00 O ATOM 736 CB CYS A 66 -3.301 9.738 6.623 1.00 0.00 C ATOM 737 SG CYS A 66 -4.936 10.332 7.164 1.00 0.00 S ATOM 0 H CYS A 66 -5.340 8.426 4.934 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.510 9.144 4.723 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.844 9.175 7.436 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -2.659 10.598 6.431 1.00 0.00 H new ATOM 742 N PHE A 67 -2.018 6.816 5.489 1.00 0.00 N ATOM 743 CA PHE A 67 -1.781 5.407 5.795 1.00 0.00 C ATOM 744 C PHE A 67 -0.842 5.214 6.977 1.00 0.00 C ATOM 745 O PHE A 67 0.174 5.897 7.105 1.00 0.00 O ATOM 746 CB PHE A 67 -1.190 4.687 4.584 1.00 0.00 C ATOM 747 CG PHE A 67 -0.819 3.253 4.865 1.00 0.00 C ATOM 748 CD1 PHE A 67 -1.768 2.253 4.743 1.00 0.00 C ATOM 749 CD2 PHE A 67 0.473 2.903 5.250 1.00 0.00 C ATOM 750 CE1 PHE A 67 -1.443 0.934 4.997 1.00 0.00 C ATOM 751 CE2 PHE A 67 0.800 1.586 5.505 1.00 0.00 C ATOM 752 CZ PHE A 67 -0.157 0.601 5.377 1.00 0.00 C ATOM 0 H PHE A 67 -1.226 7.299 5.064 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.752 4.985 6.055 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.910 4.715 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.304 5.225 4.247 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.775 2.507 4.446 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.227 3.670 5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -2.194 0.164 4.899 1.00 0.00 H new ATOM 0 HE2 PHE A 67 1.805 1.327 5.805 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.099 -0.430 5.574 1.00 0.00 H new ATOM 762 N ASP A 68 -1.174 4.232 7.805 1.00 0.00 N ATOM 763 CA ASP A 68 -0.355 3.872 8.950 1.00 0.00 C ATOM 764 C ASP A 68 0.224 2.489 8.698 1.00 0.00 C ATOM 765 O ASP A 68 -0.510 1.554 8.379 1.00 0.00 O ATOM 766 CB ASP A 68 -1.175 3.879 10.240 1.00 0.00 C ATOM 767 CG ASP A 68 -0.310 3.747 11.477 1.00 0.00 C ATOM 768 OD1 ASP A 68 0.817 4.286 11.476 1.00 0.00 O ATOM 769 OD2 ASP A 68 -0.759 3.103 12.449 1.00 0.00 O ATOM 0 H ASP A 68 -2.016 3.666 7.701 1.00 0.00 H new ATOM 0 HA ASP A 68 0.445 4.603 9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.748 4.805 10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.894 3.060 10.214 1.00 0.00 H new ATOM 774 N LYS A 69 1.535 2.359 8.818 1.00 0.00 N ATOM 775 CA LYS A 69 2.188 1.082 8.573 1.00 0.00 C ATOM 776 C LYS A 69 2.354 0.293 9.866 1.00 0.00 C ATOM 777 O LYS A 69 3.096 -0.688 9.917 1.00 0.00 O ATOM 778 CB LYS A 69 3.542 1.301 7.894 1.00 0.00 C ATOM 779 CG LYS A 69 3.896 2.764 7.681 1.00 0.00 C ATOM 780 CD LYS A 69 4.416 3.405 8.958 1.00 0.00 C ATOM 781 CE LYS A 69 3.984 4.858 9.071 1.00 0.00 C ATOM 782 NZ LYS A 69 4.349 5.642 7.859 1.00 0.00 N ATOM 0 H LYS A 69 2.165 3.116 9.082 1.00 0.00 H new ATOM 0 HA LYS A 69 1.554 0.497 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.320 0.834 8.498 1.00 0.00 H new ATOM 0 HB3 LYS A 69 3.540 0.794 6.929 1.00 0.00 H new ATOM 0 HG2 LYS A 69 4.650 2.846 6.898 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.016 3.305 7.334 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.050 2.848 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.504 3.346 8.979 1.00 0.00 H new ATOM 0 HE2 LYS A 69 2.906 4.905 9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.449 5.308 9.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.177 6.653 8.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 5.355 5.495 7.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.770 5.327 7.054 1.00 0.00 H new ATOM 796 N TYR A 70 1.649 0.725 10.905 1.00 0.00 N ATOM 797 CA TYR A 70 1.702 0.061 12.198 1.00 0.00 C ATOM 798 C TYR A 70 0.626 -1.016 12.287 1.00 0.00 C ATOM 799 O TYR A 70 0.809 -2.045 12.938 1.00 0.00 O ATOM 800 CB TYR A 70 1.521 1.085 13.318 1.00 0.00 C ATOM 801 CG TYR A 70 2.741 1.949 13.553 1.00 0.00 C ATOM 802 CD1 TYR A 70 3.371 2.598 12.498 1.00 0.00 C ATOM 803 CD2 TYR A 70 3.263 2.115 14.830 1.00 0.00 C ATOM 804 CE1 TYR A 70 4.485 3.386 12.706 1.00 0.00 C ATOM 805 CE2 TYR A 70 4.377 2.902 15.048 1.00 0.00 C ATOM 806 CZ TYR A 70 4.985 3.535 13.983 1.00 0.00 C ATOM 807 OH TYR A 70 6.095 4.320 14.197 1.00 0.00 O ATOM 0 H TYR A 70 1.032 1.536 10.875 1.00 0.00 H new ATOM 0 HA TYR A 70 2.676 -0.415 12.309 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.673 1.726 13.079 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.274 0.561 14.241 1.00 0.00 H new ATOM 0 HD1 TYR A 70 2.982 2.484 11.497 1.00 0.00 H new ATOM 0 HD2 TYR A 70 2.790 1.621 15.666 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.962 3.883 11.874 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.770 3.021 16.047 1.00 0.00 H new ATOM 0 HH TYR A 70 6.316 4.320 15.152 1.00 0.00 H new ATOM 817 N THR A 71 -0.496 -0.770 11.616 1.00 0.00 N ATOM 818 CA THR A 71 -1.609 -1.712 11.602 1.00 0.00 C ATOM 819 C THR A 71 -1.988 -2.075 10.169 1.00 0.00 C ATOM 820 O THR A 71 -2.822 -2.950 9.937 1.00 0.00 O ATOM 821 CB THR A 71 -2.844 -1.137 12.320 1.00 0.00 C ATOM 822 OG1 THR A 71 -2.995 0.251 12.001 1.00 0.00 O ATOM 823 CG2 THR A 71 -2.722 -1.305 13.826 1.00 0.00 C ATOM 0 H THR A 71 -0.658 0.078 11.073 1.00 0.00 H new ATOM 0 HA THR A 71 -1.281 -2.606 12.132 1.00 0.00 H new ATOM 0 HB THR A 71 -3.722 -1.686 11.979 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.784 0.608 12.460 1.00 0.00 H new ATOM 0 HG21 THR A 71 -3.606 -0.891 14.311 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.637 -2.364 14.068 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.835 -0.780 14.180 1.00 0.00 H new ATOM 831 N GLY A 72 -1.357 -1.397 9.214 1.00 0.00 N ATOM 832 CA GLY A 72 -1.623 -1.655 7.812 1.00 0.00 C ATOM 833 C GLY A 72 -3.009 -1.212 7.380 1.00 0.00 C ATOM 834 O GLY A 72 -3.604 -1.810 6.483 1.00 0.00 O ATOM 0 H GLY A 72 -0.663 -0.670 9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.878 -1.140 7.206 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.511 -2.722 7.617 1.00 0.00 H new ATOM 838 N ASN A 73 -3.522 -0.162 8.013 1.00 0.00 N ATOM 839 CA ASN A 73 -4.841 0.356 7.682 1.00 0.00 C ATOM 840 C ASN A 73 -4.751 1.791 7.172 1.00 0.00 C ATOM 841 O ASN A 73 -3.790 2.504 7.459 1.00 0.00 O ATOM 842 CB ASN A 73 -5.767 0.298 8.898 1.00 0.00 C ATOM 843 CG ASN A 73 -5.678 -1.016 9.640 1.00 0.00 C ATOM 844 OD1 ASN A 73 -5.183 -2.013 9.115 1.00 0.00 O ATOM 845 ND2 ASN A 73 -6.167 -1.023 10.871 1.00 0.00 N ATOM 0 H ASN A 73 -3.043 0.345 8.757 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.254 -0.271 6.892 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.517 1.112 9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.795 0.458 8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.142 -1.879 11.425 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.568 -0.172 11.265 1.00 0.00 H new ATOM 852 N THR A 74 -5.761 2.205 6.414 1.00 0.00 N ATOM 853 CA THR A 74 -5.802 3.553 5.859 1.00 0.00 C ATOM 854 C THR A 74 -6.946 4.364 6.458 1.00 0.00 C ATOM 855 O THR A 74 -8.033 3.841 6.707 1.00 0.00 O ATOM 856 CB THR A 74 -5.959 3.526 4.330 1.00 0.00 C ATOM 857 OG1 THR A 74 -5.184 2.456 3.776 1.00 0.00 O ATOM 858 CG2 THR A 74 -5.516 4.848 3.725 1.00 0.00 C ATOM 0 H THR A 74 -6.564 1.625 6.170 1.00 0.00 H new ATOM 0 HA THR A 74 -4.853 4.025 6.114 1.00 0.00 H new ATOM 0 HB THR A 74 -7.011 3.368 4.094 1.00 0.00 H new ATOM 0 HG1 THR A 74 -5.291 2.445 2.802 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.634 4.810 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 74 -6.127 5.656 4.129 1.00 0.00 H new ATOM 0 HG23 THR A 74 -4.469 5.027 3.970 1.00 0.00 H new ATOM 866 N TYR A 75 -6.688 5.646 6.679 1.00 0.00 N ATOM 867 CA TYR A 75 -7.681 6.553 7.240 1.00 0.00 C ATOM 868 C TYR A 75 -7.857 7.750 6.323 1.00 0.00 C ATOM 869 O TYR A 75 -6.985 8.041 5.509 1.00 0.00 O ATOM 870 CB TYR A 75 -7.253 7.004 8.640 1.00 0.00 C ATOM 871 CG TYR A 75 -6.378 5.986 9.329 1.00 0.00 C ATOM 872 CD1 TYR A 75 -6.934 4.948 10.065 1.00 0.00 C ATOM 873 CD2 TYR A 75 -4.997 6.051 9.222 1.00 0.00 C ATOM 874 CE1 TYR A 75 -6.136 4.002 10.677 1.00 0.00 C ATOM 875 CE2 TYR A 75 -4.192 5.111 9.832 1.00 0.00 C ATOM 876 CZ TYR A 75 -4.766 4.088 10.558 1.00 0.00 C ATOM 877 OH TYR A 75 -3.967 3.148 11.166 1.00 0.00 O ATOM 0 H TYR A 75 -5.790 6.085 6.476 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.635 6.033 7.325 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.716 7.950 8.566 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.140 7.187 9.247 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.008 4.880 10.160 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.545 6.849 8.653 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.583 3.200 11.245 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.118 5.176 9.742 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.313 2.251 10.975 1.00 0.00 H new ATOM 887 N ARG A 76 -8.980 8.439 6.444 1.00 0.00 N ATOM 888 CA ARG A 76 -9.239 9.593 5.601 1.00 0.00 C ATOM 889 C ARG A 76 -8.850 10.887 6.301 1.00 0.00 C ATOM 890 O ARG A 76 -9.053 11.037 7.505 1.00 0.00 O ATOM 891 CB ARG A 76 -10.706 9.639 5.186 1.00 0.00 C ATOM 892 CG ARG A 76 -10.905 10.107 3.756 1.00 0.00 C ATOM 893 CD ARG A 76 -10.885 11.622 3.661 1.00 0.00 C ATOM 894 NE ARG A 76 -11.916 12.238 4.493 1.00 0.00 N ATOM 895 CZ ARG A 76 -13.220 12.142 4.247 1.00 0.00 C ATOM 896 NH1 ARG A 76 -13.652 11.455 3.197 1.00 0.00 N ATOM 897 NH2 ARG A 76 -14.093 12.732 5.050 1.00 0.00 N ATOM 0 H ARG A 76 -9.720 8.222 7.111 1.00 0.00 H new ATOM 0 HA ARG A 76 -8.624 9.493 4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.141 8.646 5.301 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -11.247 10.304 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -10.121 9.691 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.855 9.730 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.906 11.991 3.965 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.030 11.922 2.623 1.00 0.00 H new ATOM 0 HE ARG A 76 -11.619 12.772 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.984 10.999 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -14.652 11.383 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.766 13.261 5.858 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.092 12.657 4.860 1.00 0.00 H new ATOM 911 N VAL A 77 -8.263 11.799 5.529 1.00 0.00 N ATOM 912 CA VAL A 77 -7.800 13.094 6.024 1.00 0.00 C ATOM 913 C VAL A 77 -8.658 13.649 7.165 1.00 0.00 C ATOM 914 O VAL A 77 -8.152 14.377 8.019 1.00 0.00 O ATOM 915 CB VAL A 77 -7.738 14.117 4.866 1.00 0.00 C ATOM 916 CG1 VAL A 77 -8.295 15.471 5.285 1.00 0.00 C ATOM 917 CG2 VAL A 77 -6.310 14.256 4.359 1.00 0.00 C ATOM 0 H VAL A 77 -8.094 11.659 4.533 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.803 12.930 6.432 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.363 13.743 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.235 16.164 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -9.336 15.358 5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.713 15.861 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.282 14.979 3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.668 14.598 5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.956 13.290 3.999 1.00 0.00 H new ATOM 927 N GLY A 78 -9.944 13.314 7.189 1.00 0.00 N ATOM 928 CA GLY A 78 -10.809 13.804 8.247 1.00 0.00 C ATOM 929 C GLY A 78 -11.384 12.686 9.096 1.00 0.00 C ATOM 930 O GLY A 78 -12.595 12.613 9.303 1.00 0.00 O ATOM 0 H GLY A 78 -10.400 12.716 6.500 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.246 14.486 8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.625 14.378 7.808 1.00 0.00 H new ATOM 934 N ASP A 79 -10.510 11.812 9.584 1.00 0.00 N ATOM 935 CA ASP A 79 -10.928 10.686 10.413 1.00 0.00 C ATOM 936 C ASP A 79 -9.941 10.457 11.555 1.00 0.00 C ATOM 937 O ASP A 79 -8.810 10.942 11.518 1.00 0.00 O ATOM 938 CB ASP A 79 -11.055 9.423 9.558 1.00 0.00 C ATOM 939 CG ASP A 79 -10.929 8.146 10.367 1.00 0.00 C ATOM 940 OD1 ASP A 79 -11.966 7.650 10.858 1.00 0.00 O ATOM 941 OD2 ASP A 79 -9.796 7.642 10.508 1.00 0.00 O ATOM 0 H ASP A 79 -9.505 11.862 9.419 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.901 10.919 10.846 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.019 9.431 9.049 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.286 9.435 8.785 1.00 0.00 H new ATOM 946 N THR A 80 -10.377 9.716 12.571 1.00 0.00 N ATOM 947 CA THR A 80 -9.533 9.425 13.725 1.00 0.00 C ATOM 948 C THR A 80 -9.297 7.928 13.880 1.00 0.00 C ATOM 949 O THR A 80 -10.041 7.112 13.337 1.00 0.00 O ATOM 950 CB THR A 80 -10.152 9.964 15.025 1.00 0.00 C ATOM 951 OG1 THR A 80 -11.486 9.464 15.179 1.00 0.00 O ATOM 952 CG2 THR A 80 -10.173 11.482 15.020 1.00 0.00 C ATOM 0 H THR A 80 -11.310 9.307 12.618 1.00 0.00 H new ATOM 0 HA THR A 80 -8.581 9.924 13.545 1.00 0.00 H new ATOM 0 HB THR A 80 -9.540 9.625 15.861 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.872 9.811 16.010 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.615 11.843 15.949 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.154 11.860 14.932 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.765 11.835 14.175 1.00 0.00 H new ATOM 960 N TYR A 81 -8.263 7.576 14.639 1.00 0.00 N ATOM 961 CA TYR A 81 -7.938 6.175 14.879 1.00 0.00 C ATOM 962 C TYR A 81 -7.091 6.011 16.137 1.00 0.00 C ATOM 963 O TYR A 81 -6.136 6.755 16.357 1.00 0.00 O ATOM 964 CB TYR A 81 -7.221 5.564 13.670 1.00 0.00 C ATOM 965 CG TYR A 81 -5.996 6.328 13.214 1.00 0.00 C ATOM 966 CD1 TYR A 81 -6.111 7.566 12.595 1.00 0.00 C ATOM 967 CD2 TYR A 81 -4.723 5.798 13.389 1.00 0.00 C ATOM 968 CE1 TYR A 81 -4.994 8.256 12.166 1.00 0.00 C ATOM 969 CE2 TYR A 81 -3.602 6.483 12.964 1.00 0.00 C ATOM 970 CZ TYR A 81 -3.742 7.711 12.353 1.00 0.00 C ATOM 971 OH TYR A 81 -2.627 8.395 11.927 1.00 0.00 O ATOM 0 H TYR A 81 -7.638 8.240 15.097 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.877 5.642 15.030 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -6.927 4.544 13.916 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.925 5.502 12.840 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.090 7.996 12.447 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -4.609 4.835 13.865 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -5.101 9.218 11.686 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -2.620 6.059 13.110 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.121 8.711 12.704 1.00 0.00 H new ATOM 981 N GLU A 82 -7.447 5.027 16.956 1.00 0.00 N ATOM 982 CA GLU A 82 -6.722 4.757 18.189 1.00 0.00 C ATOM 983 C GLU A 82 -5.962 3.438 18.088 1.00 0.00 C ATOM 984 O GLU A 82 -6.561 2.380 17.895 1.00 0.00 O ATOM 985 CB GLU A 82 -7.688 4.712 19.374 1.00 0.00 C ATOM 986 CG GLU A 82 -9.147 4.884 18.984 1.00 0.00 C ATOM 987 CD GLU A 82 -10.090 4.142 19.910 1.00 0.00 C ATOM 988 OE1 GLU A 82 -9.931 2.911 20.058 1.00 0.00 O ATOM 989 OE2 GLU A 82 -10.988 4.789 20.488 1.00 0.00 O ATOM 0 H GLU A 82 -8.235 4.403 16.786 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.004 5.562 18.346 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.570 3.760 19.891 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -7.416 5.495 20.082 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.398 5.945 18.990 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.291 4.528 17.964 1.00 0.00 H new ATOM 996 N ARG A 83 -4.642 3.508 18.219 1.00 0.00 N ATOM 997 CA ARG A 83 -3.800 2.320 18.143 1.00 0.00 C ATOM 998 C ARG A 83 -2.700 2.366 19.200 1.00 0.00 C ATOM 999 O ARG A 83 -2.142 3.427 19.477 1.00 0.00 O ATOM 1000 CB ARG A 83 -3.176 2.197 16.750 1.00 0.00 C ATOM 1001 CG ARG A 83 -4.188 2.272 15.618 1.00 0.00 C ATOM 1002 CD ARG A 83 -4.951 0.965 15.464 1.00 0.00 C ATOM 1003 NE ARG A 83 -6.016 1.068 14.469 1.00 0.00 N ATOM 1004 CZ ARG A 83 -7.211 0.500 14.605 1.00 0.00 C ATOM 1005 NH1 ARG A 83 -7.491 -0.209 15.692 1.00 0.00 N ATOM 1006 NH2 ARG A 83 -8.125 0.640 13.656 1.00 0.00 N ATOM 0 H ARG A 83 -4.131 4.376 18.379 1.00 0.00 H new ATOM 0 HA ARG A 83 -4.428 1.449 18.331 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.440 2.990 16.620 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.640 1.250 16.684 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.890 3.084 15.809 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.675 2.507 14.685 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.260 0.173 15.175 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.379 0.679 16.425 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.833 1.606 13.622 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.789 -0.319 16.424 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.408 -0.644 15.795 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -7.913 1.184 12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.041 0.204 13.762 1.00 0.00 H new ATOM 1020 N PRO A 84 -2.371 1.212 19.807 1.00 0.00 N ATOM 1021 CA PRO A 84 -1.332 1.133 20.838 1.00 0.00 C ATOM 1022 C PRO A 84 0.071 1.280 20.255 1.00 0.00 C ATOM 1023 O PRO A 84 0.296 0.995 19.078 1.00 0.00 O ATOM 1024 CB PRO A 84 -1.525 -0.265 21.426 1.00 0.00 C ATOM 1025 CG PRO A 84 -2.126 -1.060 20.319 1.00 0.00 C ATOM 1026 CD PRO A 84 -2.985 -0.103 19.536 1.00 0.00 C ATOM 0 HA PRO A 84 -1.420 1.934 21.572 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -0.576 -0.692 21.751 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.179 -0.241 22.297 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -1.352 -1.495 19.687 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.720 -1.886 20.710 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -2.979 -0.337 18.471 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -4.024 -0.136 19.864 1.00 0.00 H new ATOM 1034 N LYS A 85 1.010 1.724 21.085 1.00 0.00 N ATOM 1035 CA LYS A 85 2.392 1.908 20.654 1.00 0.00 C ATOM 1036 C LYS A 85 3.303 2.215 21.840 1.00 0.00 C ATOM 1037 O LYS A 85 3.010 3.098 22.644 1.00 0.00 O ATOM 1038 CB LYS A 85 2.478 3.040 19.626 1.00 0.00 C ATOM 1039 CG LYS A 85 3.892 3.317 19.141 1.00 0.00 C ATOM 1040 CD LYS A 85 4.178 4.808 19.082 1.00 0.00 C ATOM 1041 CE LYS A 85 5.065 5.160 17.900 1.00 0.00 C ATOM 1042 NZ LYS A 85 4.324 5.916 16.853 1.00 0.00 N ATOM 0 H LYS A 85 0.839 1.963 22.062 1.00 0.00 H new ATOM 0 HA LYS A 85 2.728 0.978 20.196 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.852 2.790 18.770 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.069 3.950 20.065 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.607 2.834 19.807 1.00 0.00 H new ATOM 0 HG3 LYS A 85 4.031 2.879 18.152 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.239 5.357 19.009 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.661 5.124 20.007 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.911 5.754 18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.472 4.246 17.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.985 6.527 16.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.878 5.248 16.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.591 6.502 17.301 1.00 0.00 H new ATOM 1056 N ASP A 86 4.412 1.484 21.933 1.00 0.00 N ATOM 1057 CA ASP A 86 5.379 1.677 23.013 1.00 0.00 C ATOM 1058 C ASP A 86 4.740 1.463 24.384 1.00 0.00 C ATOM 1059 O ASP A 86 4.902 2.283 25.287 1.00 0.00 O ATOM 1060 CB ASP A 86 5.991 3.077 22.934 1.00 0.00 C ATOM 1061 CG ASP A 86 7.446 3.098 23.358 1.00 0.00 C ATOM 1062 OD1 ASP A 86 8.275 2.468 22.669 1.00 0.00 O ATOM 1063 OD2 ASP A 86 7.756 3.745 24.382 1.00 0.00 O ATOM 0 H ASP A 86 4.664 0.750 21.271 1.00 0.00 H new ATOM 0 HA ASP A 86 6.166 0.933 22.889 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.908 3.450 21.913 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.421 3.756 23.568 1.00 0.00 H new ATOM 1068 N SER A 87 4.030 0.349 24.535 1.00 0.00 N ATOM 1069 CA SER A 87 3.375 0.007 25.795 1.00 0.00 C ATOM 1070 C SER A 87 2.254 0.988 26.141 1.00 0.00 C ATOM 1071 O SER A 87 1.577 0.830 27.157 1.00 0.00 O ATOM 1072 CB SER A 87 4.406 -0.041 26.917 1.00 0.00 C ATOM 1073 OG SER A 87 4.008 -0.937 27.942 1.00 0.00 O ATOM 0 H SER A 87 3.892 -0.338 23.794 1.00 0.00 H new ATOM 0 HA SER A 87 2.919 -0.976 25.679 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.371 -0.350 26.515 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.540 0.957 27.335 1.00 0.00 H new ATOM 0 HG SER A 87 4.688 -0.949 28.648 1.00 0.00 H new ATOM 1079 N MET A 88 2.051 1.990 25.290 1.00 0.00 N ATOM 1080 CA MET A 88 1.000 2.976 25.506 1.00 0.00 C ATOM 1081 C MET A 88 -0.058 2.870 24.415 1.00 0.00 C ATOM 1082 O MET A 88 -0.095 1.894 23.669 1.00 0.00 O ATOM 1083 CB MET A 88 1.579 4.393 25.533 1.00 0.00 C ATOM 1084 CG MET A 88 3.064 4.471 25.229 1.00 0.00 C ATOM 1085 SD MET A 88 3.474 5.825 24.111 1.00 0.00 S ATOM 1086 CE MET A 88 4.411 6.893 25.201 1.00 0.00 C ATOM 0 H MET A 88 2.602 2.139 24.444 1.00 0.00 H new ATOM 0 HA MET A 88 0.538 2.771 26.472 1.00 0.00 H new ATOM 0 HB2 MET A 88 1.040 5.006 24.810 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.399 4.827 26.516 1.00 0.00 H new ATOM 0 HG2 MET A 88 3.616 4.595 26.161 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.391 3.529 24.788 1.00 0.00 H new ATOM 0 HE1 MET A 88 4.736 7.778 24.653 1.00 0.00 H new ATOM 0 HE2 MET A 88 3.785 7.196 26.040 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.284 6.357 25.574 1.00 0.00 H new ATOM 1096 N ILE A 89 -0.914 3.883 24.323 1.00 0.00 N ATOM 1097 CA ILE A 89 -1.964 3.904 23.318 1.00 0.00 C ATOM 1098 C ILE A 89 -2.203 5.335 22.839 1.00 0.00 C ATOM 1099 O ILE A 89 -2.386 6.250 23.643 1.00 0.00 O ATOM 1100 CB ILE A 89 -3.278 3.280 23.855 1.00 0.00 C ATOM 1101 CG1 ILE A 89 -4.474 4.191 23.586 1.00 0.00 C ATOM 1102 CG2 ILE A 89 -3.163 2.989 25.345 1.00 0.00 C ATOM 1103 CD1 ILE A 89 -5.008 4.094 22.172 1.00 0.00 C ATOM 0 H ILE A 89 -0.899 4.699 24.934 1.00 0.00 H new ATOM 0 HA ILE A 89 -1.636 3.298 22.474 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.441 2.342 23.325 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.273 3.942 24.284 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -4.186 5.223 23.786 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.095 2.552 25.703 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.344 2.290 25.517 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -2.967 3.917 25.883 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.856 4.769 22.056 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.224 4.372 21.467 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -5.329 3.071 21.974 1.00 0.00 H new ATOM 1115 N TRP A 90 -2.182 5.521 21.525 1.00 0.00 N ATOM 1116 CA TRP A 90 -2.377 6.839 20.933 1.00 0.00 C ATOM 1117 C TRP A 90 -3.738 6.944 20.249 1.00 0.00 C ATOM 1118 O TRP A 90 -4.123 6.067 19.476 1.00 0.00 O ATOM 1119 CB TRP A 90 -1.274 7.116 19.905 1.00 0.00 C ATOM 1120 CG TRP A 90 0.111 7.004 20.465 1.00 0.00 C ATOM 1121 CD1 TRP A 90 0.743 5.865 20.878 1.00 0.00 C ATOM 1122 CD2 TRP A 90 1.033 8.074 20.677 1.00 0.00 C ATOM 1123 NE1 TRP A 90 1.999 6.167 21.346 1.00 0.00 N ATOM 1124 CE2 TRP A 90 2.202 7.518 21.230 1.00 0.00 C ATOM 1125 CE3 TRP A 90 0.982 9.451 20.455 1.00 0.00 C ATOM 1126 CZ2 TRP A 90 3.306 8.298 21.567 1.00 0.00 C ATOM 1127 CZ3 TRP A 90 2.077 10.219 20.787 1.00 0.00 C ATOM 1128 CH2 TRP A 90 3.223 9.645 21.339 1.00 0.00 C ATOM 0 H TRP A 90 -2.031 4.774 20.847 1.00 0.00 H new ATOM 0 HA TRP A 90 -2.334 7.576 21.735 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -1.379 6.417 19.075 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.412 8.118 19.498 1.00 0.00 H new ATOM 0 HD1 TRP A 90 0.318 4.873 20.842 1.00 0.00 H new ATOM 0 HE1 TRP A 90 2.671 5.496 21.719 1.00 0.00 H new ATOM 0 HE3 TRP A 90 0.100 9.907 20.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 4.195 7.856 21.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 2.048 11.285 20.617 1.00 0.00 H new ATOM 0 HH2 TRP A 90 4.062 10.277 21.592 1.00 0.00 H new ATOM 1139 N ASP A 91 -4.455 8.033 20.519 1.00 0.00 N ATOM 1140 CA ASP A 91 -5.762 8.259 19.907 1.00 0.00 C ATOM 1141 C ASP A 91 -5.586 8.953 18.562 1.00 0.00 C ATOM 1142 O ASP A 91 -6.420 9.757 18.148 1.00 0.00 O ATOM 1143 CB ASP A 91 -6.646 9.101 20.825 1.00 0.00 C ATOM 1144 CG ASP A 91 -7.998 8.460 21.076 1.00 0.00 C ATOM 1145 OD1 ASP A 91 -8.793 8.359 20.118 1.00 0.00 O ATOM 1146 OD2 ASP A 91 -8.260 8.059 22.229 1.00 0.00 O ATOM 0 H ASP A 91 -4.154 8.771 21.156 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.249 7.296 19.752 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.137 9.252 21.777 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.791 10.086 20.381 1.00 0.00 H new ATOM 1151 N CYS A 92 -4.464 8.637 17.920 1.00 0.00 N ATOM 1152 CA CYS A 92 -4.064 9.189 16.630 1.00 0.00 C ATOM 1153 C CYS A 92 -5.202 9.862 15.866 1.00 0.00 C ATOM 1154 O CYS A 92 -6.303 9.327 15.748 1.00 0.00 O ATOM 1155 CB CYS A 92 -3.458 8.080 15.779 1.00 0.00 C ATOM 1156 SG CYS A 92 -1.658 7.882 15.978 1.00 0.00 S ATOM 0 H CYS A 92 -3.789 7.970 18.295 1.00 0.00 H new ATOM 0 HA CYS A 92 -3.333 9.971 16.835 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -3.945 7.138 16.030 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -3.676 8.282 14.730 1.00 0.00 H new ATOM 1161 N THR A 93 -4.895 11.036 15.326 1.00 0.00 N ATOM 1162 CA THR A 93 -5.845 11.812 14.542 1.00 0.00 C ATOM 1163 C THR A 93 -5.281 12.086 13.152 1.00 0.00 C ATOM 1164 O THR A 93 -4.128 12.495 13.014 1.00 0.00 O ATOM 1165 CB THR A 93 -6.175 13.160 15.218 1.00 0.00 C ATOM 1166 OG1 THR A 93 -5.100 13.554 16.079 1.00 0.00 O ATOM 1167 CG2 THR A 93 -7.458 13.064 16.025 1.00 0.00 C ATOM 0 H THR A 93 -3.979 11.476 15.420 1.00 0.00 H new ATOM 0 HA THR A 93 -6.760 11.224 14.469 1.00 0.00 H new ATOM 0 HB THR A 93 -6.310 13.906 14.435 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.272 13.623 15.559 1.00 0.00 H new ATOM 0 HG21 THR A 93 -7.668 14.027 16.491 1.00 0.00 H new ATOM 0 HG22 THR A 93 -8.283 12.792 15.366 1.00 0.00 H new ATOM 0 HG23 THR A 93 -7.346 12.304 16.798 1.00 0.00 H new ATOM 1175 N CYS A 94 -6.089 11.866 12.127 1.00 0.00 N ATOM 1176 CA CYS A 94 -5.649 12.100 10.757 1.00 0.00 C ATOM 1177 C CYS A 94 -6.069 13.488 10.297 1.00 0.00 C ATOM 1178 O CYS A 94 -7.253 13.825 10.300 1.00 0.00 O ATOM 1179 CB CYS A 94 -6.223 11.036 9.819 1.00 0.00 C ATOM 1180 SG CYS A 94 -4.980 9.888 9.144 1.00 0.00 S ATOM 0 H CYS A 94 -7.047 11.528 12.214 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.561 12.036 10.729 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.977 10.462 10.357 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.730 11.532 8.992 1.00 0.00 H new ATOM 1185 N ILE A 95 -5.085 14.291 9.914 1.00 0.00 N ATOM 1186 CA ILE A 95 -5.334 15.651 9.458 1.00 0.00 C ATOM 1187 C ILE A 95 -5.223 15.743 7.941 1.00 0.00 C ATOM 1188 O ILE A 95 -4.980 14.740 7.268 1.00 0.00 O ATOM 1189 CB ILE A 95 -4.333 16.637 10.098 1.00 0.00 C ATOM 1190 CG1 ILE A 95 -3.916 16.152 11.490 1.00 0.00 C ATOM 1191 CG2 ILE A 95 -4.928 18.030 10.174 1.00 0.00 C ATOM 1192 CD1 ILE A 95 -5.040 16.167 12.505 1.00 0.00 C ATOM 0 H ILE A 95 -4.101 14.021 9.911 1.00 0.00 H new ATOM 0 HA ILE A 95 -6.346 15.918 9.762 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.444 16.680 9.468 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.526 15.138 11.409 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -3.102 16.779 11.854 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.207 18.709 10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.171 18.377 9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.834 18.006 10.779 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.668 15.811 13.465 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.416 17.184 12.616 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -5.846 15.517 12.165 1.00 0.00 H new ATOM 1204 N GLY A 96 -5.390 16.948 7.405 1.00 0.00 N ATOM 1205 CA GLY A 96 -5.289 17.138 5.974 1.00 0.00 C ATOM 1206 C GLY A 96 -3.848 17.219 5.533 1.00 0.00 C ATOM 1207 O GLY A 96 -3.372 18.280 5.141 1.00 0.00 O ATOM 0 H GLY A 96 -5.593 17.794 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -5.783 16.314 5.460 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -5.811 18.051 5.688 1.00 0.00 H new ATOM 1211 N ALA A 97 -3.155 16.090 5.621 1.00 0.00 N ATOM 1212 CA ALA A 97 -1.745 16.006 5.253 1.00 0.00 C ATOM 1213 C ALA A 97 -1.460 16.683 3.916 1.00 0.00 C ATOM 1214 O ALA A 97 -0.343 17.140 3.671 1.00 0.00 O ATOM 1215 CB ALA A 97 -1.306 14.554 5.227 1.00 0.00 C ATOM 0 H ALA A 97 -3.552 15.209 5.948 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.169 16.542 6.007 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -0.253 14.497 4.952 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.447 14.113 6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.902 14.007 4.497 1.00 0.00 H new ATOM 1221 N GLY A 98 -2.472 16.759 3.056 1.00 0.00 N ATOM 1222 CA GLY A 98 -2.299 17.400 1.768 1.00 0.00 C ATOM 1223 C GLY A 98 -2.102 18.898 1.905 1.00 0.00 C ATOM 1224 O GLY A 98 -2.035 19.622 0.912 1.00 0.00 O ATOM 0 H GLY A 98 -3.406 16.388 3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.439 16.966 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -3.171 17.204 1.144 1.00 0.00 H new ATOM 1228 N ARG A 99 -2.010 19.353 3.150 1.00 0.00 N ATOM 1229 CA ARG A 99 -1.820 20.763 3.457 1.00 0.00 C ATOM 1230 C ARG A 99 -1.467 20.933 4.933 1.00 0.00 C ATOM 1231 O ARG A 99 -1.281 22.050 5.415 1.00 0.00 O ATOM 1232 CB ARG A 99 -3.088 21.555 3.127 1.00 0.00 C ATOM 1233 CG ARG A 99 -2.836 23.034 2.882 1.00 0.00 C ATOM 1234 CD ARG A 99 -4.052 23.872 3.245 1.00 0.00 C ATOM 1235 NE ARG A 99 -3.918 25.255 2.792 1.00 0.00 N ATOM 1236 CZ ARG A 99 -4.927 25.972 2.303 1.00 0.00 C ATOM 1237 NH1 ARG A 99 -6.137 25.439 2.205 1.00 0.00 N ATOM 1238 NH2 ARG A 99 -4.723 27.223 1.913 1.00 0.00 N ATOM 0 H ARG A 99 -2.065 18.754 3.973 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.001 21.146 2.849 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -3.556 21.123 2.242 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -3.797 21.447 3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -1.978 23.361 3.470 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -2.583 23.193 1.834 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -4.943 23.429 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -4.194 23.856 4.326 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.000 25.695 2.854 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.296 24.477 2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.908 25.991 1.830 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -3.793 27.635 1.988 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -5.496 27.773 1.538 1.00 0.00 H new ATOM 1252 N GLY A 100 -1.374 19.809 5.641 1.00 0.00 N ATOM 1253 CA GLY A 100 -1.043 19.839 7.052 1.00 0.00 C ATOM 1254 C GLY A 100 -0.154 18.680 7.463 1.00 0.00 C ATOM 1255 O GLY A 100 1.070 18.783 7.380 1.00 0.00 O ATOM 0 H GLY A 100 -1.523 18.875 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.541 20.778 7.285 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -1.962 19.814 7.638 1.00 0.00 H new ATOM 1259 N ARG A 101 -0.770 17.577 7.906 1.00 0.00 N ATOM 1260 CA ARG A 101 -0.018 16.394 8.337 1.00 0.00 C ATOM 1261 C ARG A 101 -0.926 15.364 9.015 1.00 0.00 C ATOM 1262 O ARG A 101 -2.136 15.341 8.795 1.00 0.00 O ATOM 1263 CB ARG A 101 1.101 16.810 9.307 1.00 0.00 C ATOM 1264 CG ARG A 101 0.643 17.058 10.744 1.00 0.00 C ATOM 1265 CD ARG A 101 -0.623 17.904 10.815 1.00 0.00 C ATOM 1266 NE ARG A 101 -0.951 18.284 12.185 1.00 0.00 N ATOM 1267 CZ ARG A 101 -1.741 19.307 12.499 1.00 0.00 C ATOM 1268 NH1 ARG A 101 -2.282 20.049 11.542 1.00 0.00 N ATOM 1269 NH2 ARG A 101 -1.991 19.588 13.770 1.00 0.00 N ATOM 0 H ARG A 101 -1.783 17.480 7.975 1.00 0.00 H new ATOM 0 HA ARG A 101 0.413 15.933 7.448 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.865 16.033 9.313 1.00 0.00 H new ATOM 0 HB3 ARG A 101 1.572 17.717 8.929 1.00 0.00 H new ATOM 0 HG2 ARG A 101 0.465 16.101 11.235 1.00 0.00 H new ATOM 0 HG3 ARG A 101 1.440 17.556 11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -0.493 18.802 10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -1.455 17.348 10.384 1.00 0.00 H new ATOM 0 HE ARG A 101 -0.552 17.734 12.945 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -2.093 19.836 10.563 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -2.887 20.833 11.785 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -1.577 19.019 14.509 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -2.597 20.373 14.009 1.00 0.00 H new ATOM 1283 N ILE A 102 -0.321 14.537 9.864 1.00 0.00 N ATOM 1284 CA ILE A 102 -1.038 13.522 10.627 1.00 0.00 C ATOM 1285 C ILE A 102 -0.734 13.723 12.107 1.00 0.00 C ATOM 1286 O ILE A 102 0.382 13.468 12.559 1.00 0.00 O ATOM 1287 CB ILE A 102 -0.622 12.097 10.213 1.00 0.00 C ATOM 1288 CG1 ILE A 102 -0.567 11.980 8.688 1.00 0.00 C ATOM 1289 CG2 ILE A 102 -1.584 11.072 10.794 1.00 0.00 C ATOM 1290 CD1 ILE A 102 0.536 11.072 8.189 1.00 0.00 C ATOM 0 H ILE A 102 0.683 14.553 10.042 1.00 0.00 H new ATOM 0 HA ILE A 102 -2.104 13.629 10.428 1.00 0.00 H new ATOM 0 HB ILE A 102 0.373 11.897 10.610 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -1.525 11.607 8.326 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -0.430 12.973 8.261 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -1.275 10.071 10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.576 11.141 11.882 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.591 11.268 10.425 1.00 0.00 H new ATOM 0 HD11 ILE A 102 0.514 11.038 7.100 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.501 11.456 8.521 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.389 10.068 8.587 1.00 0.00 H new ATOM 1302 N SER A 103 -1.717 14.214 12.850 1.00 0.00 N ATOM 1303 CA SER A 103 -1.536 14.488 14.271 1.00 0.00 C ATOM 1304 C SER A 103 -1.808 13.258 15.121 1.00 0.00 C ATOM 1305 O SER A 103 -2.929 12.772 15.177 1.00 0.00 O ATOM 1306 CB SER A 103 -2.468 15.616 14.703 1.00 0.00 C ATOM 1307 OG SER A 103 -2.074 16.853 14.137 1.00 0.00 O ATOM 0 H SER A 103 -2.648 14.431 12.493 1.00 0.00 H new ATOM 0 HA SER A 103 -0.497 14.781 14.421 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.489 15.384 14.400 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.468 15.694 15.790 1.00 0.00 H new ATOM 0 HG SER A 103 -2.870 17.360 13.873 1.00 0.00 H new ATOM 1313 N CYS A 104 -0.777 12.770 15.798 1.00 0.00 N ATOM 1314 CA CYS A 104 -0.920 11.606 16.660 1.00 0.00 C ATOM 1315 C CYS A 104 -0.523 11.950 18.088 1.00 0.00 C ATOM 1316 O CYS A 104 0.657 12.117 18.390 1.00 0.00 O ATOM 1317 CB CYS A 104 -0.063 10.449 16.153 1.00 0.00 C ATOM 1318 SG CYS A 104 -0.879 9.413 14.898 1.00 0.00 S ATOM 0 H CYS A 104 0.164 13.161 15.767 1.00 0.00 H new ATOM 0 HA CYS A 104 -1.966 11.301 16.644 1.00 0.00 H new ATOM 0 HB2 CYS A 104 0.859 10.851 15.733 1.00 0.00 H new ATOM 0 HB3 CYS A 104 0.219 9.822 16.999 1.00 0.00 H new ATOM 1323 N THR A 105 -1.513 12.059 18.962 1.00 0.00 N ATOM 1324 CA THR A 105 -1.271 12.391 20.359 1.00 0.00 C ATOM 1325 C THR A 105 -1.488 11.173 21.247 1.00 0.00 C ATOM 1326 O THR A 105 -2.272 10.283 20.913 1.00 0.00 O ATOM 1327 CB THR A 105 -2.200 13.529 20.824 1.00 0.00 C ATOM 1328 OG1 THR A 105 -2.086 14.645 19.936 1.00 0.00 O ATOM 1329 CG2 THR A 105 -1.870 13.967 22.243 1.00 0.00 C ATOM 0 H THR A 105 -2.496 11.922 18.727 1.00 0.00 H new ATOM 0 HA THR A 105 -0.235 12.720 20.444 1.00 0.00 H new ATOM 0 HB THR A 105 -3.223 13.154 20.812 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.789 15.297 20.138 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.543 14.771 22.541 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.990 13.123 22.922 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.840 14.322 22.284 1.00 0.00 H new ATOM 1337 N ILE A 106 -0.794 11.137 22.378 1.00 0.00 N ATOM 1338 CA ILE A 106 -0.911 10.032 23.313 1.00 0.00 C ATOM 1339 C ILE A 106 -2.141 10.212 24.192 1.00 0.00 C ATOM 1340 O ILE A 106 -2.609 11.331 24.394 1.00 0.00 O ATOM 1341 CB ILE A 106 0.365 9.927 24.185 1.00 0.00 C ATOM 1342 CG1 ILE A 106 1.051 8.583 23.982 1.00 0.00 C ATOM 1343 CG2 ILE A 106 0.075 10.139 25.659 1.00 0.00 C ATOM 1344 CD1 ILE A 106 0.227 7.399 24.432 1.00 0.00 C ATOM 0 H ILE A 106 -0.142 11.866 22.668 1.00 0.00 H new ATOM 0 HA ILE A 106 -1.021 9.107 22.747 1.00 0.00 H new ATOM 0 HB ILE A 106 1.032 10.725 23.860 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.291 8.465 22.925 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.996 8.583 24.526 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.001 10.056 26.228 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.353 11.130 25.807 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.631 9.384 26.003 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.784 6.479 24.254 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.008 7.491 25.496 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.707 7.371 23.871 1.00 0.00 H new ATOM 1356 N ALA A 107 -2.666 9.108 24.708 1.00 0.00 N ATOM 1357 CA ALA A 107 -3.842 9.163 25.562 1.00 0.00 C ATOM 1358 C ALA A 107 -4.041 7.855 26.307 1.00 0.00 C ATOM 1359 O ALA A 107 -4.994 7.116 26.061 1.00 0.00 O ATOM 1360 CB ALA A 107 -5.069 9.505 24.745 1.00 0.00 C ATOM 0 H ALA A 107 -2.298 8.170 24.551 1.00 0.00 H new ATOM 0 HA ALA A 107 -3.687 9.947 26.303 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.942 9.543 25.397 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -4.930 10.475 24.268 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -5.221 8.744 23.980 1.00 0.00 H new ATOM 1366 N ASN A 108 -3.125 7.585 27.218 1.00 0.00 N ATOM 1367 CA ASN A 108 -3.167 6.371 28.020 1.00 0.00 C ATOM 1368 C ASN A 108 -4.166 6.508 29.165 1.00 0.00 C ATOM 1369 O ASN A 108 -3.939 7.263 30.111 1.00 0.00 O ATOM 1370 CB ASN A 108 -1.777 6.053 28.574 1.00 0.00 C ATOM 1371 CG ASN A 108 -1.620 4.590 28.938 1.00 0.00 C ATOM 1372 OD1 ASN A 108 -0.913 3.843 28.260 1.00 0.00 O ATOM 1373 ND2 ASN A 108 -2.281 4.172 30.011 1.00 0.00 N ATOM 0 H ASN A 108 -2.334 8.195 27.424 1.00 0.00 H new ATOM 0 HA ASN A 108 -3.490 5.552 27.378 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -1.024 6.323 27.834 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -1.592 6.666 29.456 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.215 3.197 30.303 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -2.855 4.826 30.543 1.00 0.00 H new ATOM 1380 N ARG A 109 -5.271 5.775 29.072 1.00 0.00 N ATOM 1381 CA ARG A 109 -6.303 5.814 30.099 1.00 0.00 C ATOM 1382 C ARG A 109 -6.227 4.583 30.994 1.00 0.00 C ATOM 1383 O ARG A 109 -5.665 3.560 30.548 1.00 0.00 O ATOM 1384 CB ARG A 109 -7.688 5.907 29.457 1.00 0.00 C ATOM 1385 CG ARG A 109 -7.791 5.200 28.116 1.00 0.00 C ATOM 1386 CD ARG A 109 -8.903 4.164 28.115 1.00 0.00 C ATOM 1387 NE ARG A 109 -10.213 4.769 28.346 1.00 0.00 N ATOM 1388 CZ ARG A 109 -11.317 4.408 27.697 1.00 0.00 C ATOM 1389 NH1 ARG A 109 -11.269 3.450 26.781 1.00 0.00 N ATOM 1390 NH2 ARG A 109 -12.470 5.006 27.963 1.00 0.00 N ATOM 1391 OXT ARG A 109 -6.731 4.649 32.136 1.00 0.00 O ATOM 0 H ARG A 109 -5.474 5.147 28.295 1.00 0.00 H new ATOM 0 HA ARG A 109 -6.135 6.698 30.713 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.424 5.481 30.139 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.947 6.957 29.324 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.975 5.933 27.331 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -6.842 4.716 27.885 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -8.909 3.639 27.160 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -8.706 3.420 28.886 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.285 5.509 29.044 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -10.384 2.988 26.572 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.117 3.175 26.285 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -12.512 5.744 28.666 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -13.315 4.728 27.465 1.00 0.00 H new TER 1405 ARG A 109 ATOM 1406 N SER B 13 -1.868 12.591 28.237 1.00 0.00 N ATOM 1407 CA SER B 13 -1.759 12.787 26.768 1.00 0.00 C ATOM 1408 C SER B 13 -0.371 13.292 26.379 1.00 0.00 C ATOM 1409 O SER B 13 0.363 13.822 27.214 1.00 0.00 O ATOM 1410 CB SER B 13 -2.831 13.785 26.332 1.00 0.00 C ATOM 1411 OG SER B 13 -2.642 15.044 26.952 1.00 0.00 O ATOM 0 HA SER B 13 -1.909 11.832 26.265 1.00 0.00 H new ATOM 0 HB2 SER B 13 -2.803 13.902 25.249 1.00 0.00 H new ATOM 0 HB3 SER B 13 -3.818 13.397 26.585 1.00 0.00 H new ATOM 0 HG SER B 13 -2.187 14.921 27.811 1.00 0.00 H new ATOM 1416 N THR B 14 -0.014 13.118 25.108 1.00 0.00 N ATOM 1417 CA THR B 14 1.290 13.548 24.610 1.00 0.00 C ATOM 1418 C THR B 14 1.253 13.751 23.093 1.00 0.00 C ATOM 1419 O THR B 14 1.374 12.797 22.324 1.00 0.00 O ATOM 1420 CB THR B 14 2.386 12.525 24.984 1.00 0.00 C ATOM 1421 OG1 THR B 14 2.787 12.718 26.346 1.00 0.00 O ATOM 1422 CG2 THR B 14 3.605 12.642 24.080 1.00 0.00 C ATOM 0 H THR B 14 -0.610 12.682 24.404 1.00 0.00 H new ATOM 0 HA THR B 14 1.530 14.501 25.082 1.00 0.00 H new ATOM 0 HB THR B 14 1.963 11.529 24.853 1.00 0.00 H new ATOM 0 HG1 THR B 14 2.065 13.160 26.840 1.00 0.00 H new ATOM 0 HG21 THR B 14 4.351 11.905 24.378 1.00 0.00 H new ATOM 0 HG22 THR B 14 3.310 12.463 23.046 1.00 0.00 H new ATOM 0 HG23 THR B 14 4.029 13.643 24.168 1.00 0.00 H new ATOM 1430 N THR B 15 1.071 15.000 22.673 1.00 0.00 N ATOM 1431 CA THR B 15 1.002 15.332 21.252 1.00 0.00 C ATOM 1432 C THR B 15 2.262 14.903 20.508 1.00 0.00 C ATOM 1433 O THR B 15 3.344 14.826 21.088 1.00 0.00 O ATOM 1434 CB THR B 15 0.783 16.840 21.037 1.00 0.00 C ATOM 1435 OG1 THR B 15 0.832 17.528 22.292 1.00 0.00 O ATOM 1436 CG2 THR B 15 -0.558 17.096 20.364 1.00 0.00 C ATOM 0 H THR B 15 0.968 15.800 23.297 1.00 0.00 H new ATOM 0 HA THR B 15 0.150 14.783 20.850 1.00 0.00 H new ATOM 0 HB THR B 15 1.577 17.213 20.390 1.00 0.00 H new ATOM 0 HG1 THR B 15 0.693 18.487 22.145 1.00 0.00 H new ATOM 0 HG21 THR B 15 -0.694 18.168 20.221 1.00 0.00 H new ATOM 0 HG22 THR B 15 -0.581 16.595 19.396 1.00 0.00 H new ATOM 0 HG23 THR B 15 -1.360 16.709 20.992 1.00 0.00 H new ATOM 1444 N GLU B 16 2.107 14.626 19.215 1.00 0.00 N ATOM 1445 CA GLU B 16 3.224 14.203 18.378 1.00 0.00 C ATOM 1446 C GLU B 16 2.924 14.445 16.900 1.00 0.00 C ATOM 1447 O GLU B 16 3.313 13.654 16.041 1.00 0.00 O ATOM 1448 CB GLU B 16 3.530 12.720 18.611 1.00 0.00 C ATOM 1449 CG GLU B 16 4.606 12.470 19.655 1.00 0.00 C ATOM 1450 CD GLU B 16 5.864 13.280 19.406 1.00 0.00 C ATOM 1451 OE1 GLU B 16 6.521 13.051 18.369 1.00 0.00 O ATOM 1452 OE2 GLU B 16 6.190 14.144 20.246 1.00 0.00 O ATOM 0 H GLU B 16 1.215 14.688 18.724 1.00 0.00 H new ATOM 0 HA GLU B 16 4.095 14.797 18.654 1.00 0.00 H new ATOM 0 HB2 GLU B 16 2.615 12.214 18.918 1.00 0.00 H new ATOM 0 HB3 GLU B 16 3.841 12.271 17.668 1.00 0.00 H new ATOM 0 HG2 GLU B 16 4.212 12.713 20.642 1.00 0.00 H new ATOM 0 HG3 GLU B 16 4.858 11.410 19.664 1.00 0.00 H new ATOM 1459 N VAL B 17 2.232 15.546 16.609 1.00 0.00 N ATOM 1460 CA VAL B 17 1.887 15.887 15.229 1.00 0.00 C ATOM 1461 C VAL B 17 3.111 16.412 14.483 1.00 0.00 C ATOM 1462 O VAL B 17 4.067 16.884 15.098 1.00 0.00 O ATOM 1463 CB VAL B 17 0.741 16.931 15.153 1.00 0.00 C ATOM 1464 CG1 VAL B 17 0.121 17.167 16.521 1.00 0.00 C ATOM 1465 CG2 VAL B 17 1.218 18.248 14.553 1.00 0.00 C ATOM 0 H VAL B 17 1.901 16.214 17.305 1.00 0.00 H new ATOM 0 HA VAL B 17 1.537 14.970 14.754 1.00 0.00 H new ATOM 0 HB VAL B 17 -0.023 16.519 14.494 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -0.679 17.903 16.436 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -0.287 16.231 16.902 1.00 0.00 H new ATOM 0 HG13 VAL B 17 0.883 17.537 17.207 1.00 0.00 H new ATOM 0 HG21 VAL B 17 0.388 18.953 14.516 1.00 0.00 H new ATOM 0 HG22 VAL B 17 2.017 18.660 15.169 1.00 0.00 H new ATOM 0 HG23 VAL B 17 1.591 18.074 13.544 1.00 0.00 H new ATOM 1475 N GLU B 18 3.074 16.333 13.157 1.00 0.00 N ATOM 1476 CA GLU B 18 4.182 16.807 12.337 1.00 0.00 C ATOM 1477 C GLU B 18 4.304 18.327 12.418 1.00 0.00 C ATOM 1478 O GLU B 18 5.340 18.852 12.825 1.00 0.00 O ATOM 1479 CB GLU B 18 3.999 16.373 10.883 1.00 0.00 C ATOM 1480 CG GLU B 18 5.066 15.406 10.397 1.00 0.00 C ATOM 1481 CD GLU B 18 6.190 16.102 9.657 1.00 0.00 C ATOM 1482 OE1 GLU B 18 5.897 16.985 8.825 1.00 0.00 O ATOM 1483 OE2 GLU B 18 7.366 15.764 9.910 1.00 0.00 O ATOM 0 H GLU B 18 2.291 15.947 12.629 1.00 0.00 H new ATOM 0 HA GLU B 18 5.100 16.364 12.722 1.00 0.00 H new ATOM 0 HB2 GLU B 18 3.020 15.906 10.773 1.00 0.00 H new ATOM 0 HB3 GLU B 18 4.004 17.257 10.245 1.00 0.00 H new ATOM 0 HG2 GLU B 18 5.477 14.866 11.250 1.00 0.00 H new ATOM 0 HG3 GLU B 18 4.608 14.665 9.741 1.00 0.00 H new ATOM 1490 N ASP B 19 3.238 19.028 12.033 1.00 0.00 N ATOM 1491 CA ASP B 19 3.234 20.489 12.068 1.00 0.00 C ATOM 1492 C ASP B 19 1.865 21.056 11.703 1.00 0.00 C ATOM 1493 O ASP B 19 0.882 20.324 11.599 1.00 0.00 O ATOM 1494 CB ASP B 19 4.288 21.044 11.109 1.00 0.00 C ATOM 1495 CG ASP B 19 4.996 22.263 11.669 1.00 0.00 C ATOM 1496 OD1 ASP B 19 5.524 22.178 12.797 1.00 0.00 O ATOM 1497 OD2 ASP B 19 5.021 23.304 10.978 1.00 0.00 O ATOM 0 H ASP B 19 2.371 18.610 11.695 1.00 0.00 H new ATOM 0 HA ASP B 19 3.469 20.793 13.088 1.00 0.00 H new ATOM 0 HB2 ASP B 19 5.023 20.268 10.893 1.00 0.00 H new ATOM 0 HB3 ASP B 19 3.813 21.306 10.164 1.00 0.00 H new ATOM 1502 N SER B 20 1.819 22.372 11.509 1.00 0.00 N ATOM 1503 CA SER B 20 0.584 23.065 11.151 1.00 0.00 C ATOM 1504 C SER B 20 0.875 24.525 10.817 1.00 0.00 C ATOM 1505 O SER B 20 1.229 25.311 11.693 1.00 0.00 O ATOM 1506 CB SER B 20 -0.426 22.984 12.298 1.00 0.00 C ATOM 1507 OG SER B 20 0.141 23.443 13.513 1.00 0.00 O ATOM 0 H SER B 20 2.630 22.984 11.595 1.00 0.00 H new ATOM 0 HA SER B 20 0.158 22.579 10.273 1.00 0.00 H new ATOM 0 HB2 SER B 20 -1.305 23.581 12.055 1.00 0.00 H new ATOM 0 HB3 SER B 20 -0.763 21.954 12.417 1.00 0.00 H new ATOM 0 HG SER B 20 0.704 24.225 13.336 1.00 0.00 H new ATOM 1513 N LYS B 21 0.740 24.878 9.541 1.00 0.00 N ATOM 1514 CA LYS B 21 1.007 26.244 9.097 1.00 0.00 C ATOM 1515 C LYS B 21 -0.238 26.909 8.498 1.00 0.00 C ATOM 1516 O LYS B 21 -0.629 27.992 8.932 1.00 0.00 O ATOM 1517 CB LYS B 21 2.156 26.261 8.083 1.00 0.00 C ATOM 1518 CG LYS B 21 3.134 25.107 8.246 1.00 0.00 C ATOM 1519 CD LYS B 21 2.722 23.900 7.416 1.00 0.00 C ATOM 1520 CE LYS B 21 3.924 23.054 7.029 1.00 0.00 C ATOM 1521 NZ LYS B 21 4.597 23.571 5.806 1.00 0.00 N ATOM 0 H LYS B 21 0.449 24.241 8.799 1.00 0.00 H new ATOM 0 HA LYS B 21 1.295 26.820 9.976 1.00 0.00 H new ATOM 0 HB2 LYS B 21 1.740 26.233 7.076 1.00 0.00 H new ATOM 0 HB3 LYS B 21 2.699 27.202 8.178 1.00 0.00 H new ATOM 0 HG2 LYS B 21 4.131 25.430 7.948 1.00 0.00 H new ATOM 0 HG3 LYS B 21 3.191 24.824 9.297 1.00 0.00 H new ATOM 0 HD2 LYS B 21 2.015 23.293 7.981 1.00 0.00 H new ATOM 0 HD3 LYS B 21 2.206 24.235 6.516 1.00 0.00 H new ATOM 0 HE2 LYS B 21 4.636 23.035 7.854 1.00 0.00 H new ATOM 0 HE3 LYS B 21 3.605 22.026 6.860 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 5.411 22.966 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 3.926 23.565 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 4.925 24.543 5.975 1.00 0.00 H new ATOM 1535 N PRO B 22 -0.881 26.283 7.487 1.00 0.00 N ATOM 1536 CA PRO B 22 -2.076 26.849 6.846 1.00 0.00 C ATOM 1537 C PRO B 22 -3.271 26.919 7.794 1.00 0.00 C ATOM 1538 O PRO B 22 -3.111 27.183 8.987 1.00 0.00 O ATOM 1539 CB PRO B 22 -2.367 25.881 5.688 1.00 0.00 C ATOM 1540 CG PRO B 22 -1.119 25.084 5.518 1.00 0.00 C ATOM 1541 CD PRO B 22 -0.502 24.997 6.881 1.00 0.00 C ATOM 0 HA PRO B 22 -1.908 27.877 6.524 1.00 0.00 H new ATOM 0 HB2 PRO B 22 -3.216 25.238 5.917 1.00 0.00 H new ATOM 0 HB3 PRO B 22 -2.615 26.423 4.775 1.00 0.00 H new ATOM 0 HG2 PRO B 22 -1.339 24.092 5.124 1.00 0.00 H new ATOM 0 HG3 PRO B 22 -0.441 25.564 4.812 1.00 0.00 H new ATOM 0 HD2 PRO B 22 -0.890 24.151 7.449 1.00 0.00 H new ATOM 0 HD3 PRO B 22 0.580 24.876 6.829 1.00 0.00 H new ATOM 1549 N LYS B 23 -4.466 26.685 7.252 1.00 0.00 N ATOM 1550 CA LYS B 23 -5.695 26.722 8.039 1.00 0.00 C ATOM 1551 C LYS B 23 -6.005 28.139 8.513 1.00 0.00 C ATOM 1552 O LYS B 23 -5.241 28.731 9.273 1.00 0.00 O ATOM 1553 CB LYS B 23 -5.593 25.776 9.236 1.00 0.00 C ATOM 1554 CG LYS B 23 -6.076 24.369 8.933 1.00 0.00 C ATOM 1555 CD LYS B 23 -5.077 23.606 8.078 1.00 0.00 C ATOM 1556 CE LYS B 23 -4.312 22.579 8.898 1.00 0.00 C ATOM 1557 NZ LYS B 23 -4.746 21.188 8.590 1.00 0.00 N ATOM 0 H LYS B 23 -4.608 26.467 6.266 1.00 0.00 H new ATOM 0 HA LYS B 23 -6.512 26.392 7.397 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -4.556 25.733 9.569 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -6.176 26.183 10.062 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -6.242 23.832 9.867 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -7.035 24.416 8.418 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -5.601 23.106 7.263 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -4.376 24.306 7.624 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -3.245 22.679 8.700 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -4.460 22.779 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -4.201 20.518 9.169 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -5.759 21.085 8.803 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -4.582 20.988 7.583 1.00 0.00 H new ATOM 1571 N LEU B 24 -7.132 28.674 8.050 1.00 0.00 N ATOM 1572 CA LEU B 24 -7.554 30.022 8.416 1.00 0.00 C ATOM 1573 C LEU B 24 -7.789 30.136 9.919 1.00 0.00 C ATOM 1574 O LEU B 24 -8.906 29.940 10.398 1.00 0.00 O ATOM 1575 CB LEU B 24 -8.829 30.397 7.667 1.00 0.00 C ATOM 1576 CG LEU B 24 -8.760 31.718 6.902 1.00 0.00 C ATOM 1577 CD1 LEU B 24 -9.594 31.638 5.636 1.00 0.00 C ATOM 1578 CD2 LEU B 24 -9.225 32.869 7.780 1.00 0.00 C ATOM 0 H LEU B 24 -7.771 28.192 7.418 1.00 0.00 H new ATOM 0 HA LEU B 24 -6.755 30.710 8.138 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -9.068 29.599 6.964 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -9.651 30.450 8.381 1.00 0.00 H new ATOM 0 HG LEU B 24 -7.723 31.902 6.621 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -9.536 32.586 5.101 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -9.214 30.839 5.000 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -10.632 31.432 5.897 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -9.169 33.801 7.218 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -10.255 32.695 8.092 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -8.585 32.937 8.660 1.00 0.00 H new ATOM 1590 N SER B 25 -6.733 30.455 10.660 1.00 0.00 N ATOM 1591 CA SER B 25 -6.833 30.595 12.108 1.00 0.00 C ATOM 1592 C SER B 25 -7.615 31.850 12.479 1.00 0.00 C ATOM 1593 O SER B 25 -7.246 32.962 12.099 1.00 0.00 O ATOM 1594 CB SER B 25 -5.440 30.634 12.737 1.00 0.00 C ATOM 1595 OG SER B 25 -4.910 31.947 12.732 1.00 0.00 O ATOM 0 H SER B 25 -5.800 30.621 10.283 1.00 0.00 H new ATOM 0 HA SER B 25 -7.370 29.730 12.497 1.00 0.00 H new ATOM 0 HB2 SER B 25 -5.490 30.264 13.761 1.00 0.00 H new ATOM 0 HB3 SER B 25 -4.773 29.968 12.190 1.00 0.00 H new ATOM 0 HG SER B 25 -5.514 32.542 12.241 1.00 0.00 H new ATOM 1601 N ILE B 26 -8.702 31.662 13.222 1.00 0.00 N ATOM 1602 CA ILE B 26 -9.547 32.772 13.645 1.00 0.00 C ATOM 1603 C ILE B 26 -9.989 32.599 15.093 1.00 0.00 C ATOM 1604 O ILE B 26 -10.190 31.479 15.559 1.00 0.00 O ATOM 1605 CB ILE B 26 -10.796 32.897 12.754 1.00 0.00 C ATOM 1606 CG1 ILE B 26 -10.380 32.985 11.280 1.00 0.00 C ATOM 1607 CG2 ILE B 26 -11.617 34.113 13.167 1.00 0.00 C ATOM 1608 CD1 ILE B 26 -11.402 33.661 10.395 1.00 0.00 C ATOM 0 H ILE B 26 -9.018 30.747 13.544 1.00 0.00 H new ATOM 0 HA ILE B 26 -8.950 33.680 13.552 1.00 0.00 H new ATOM 0 HB ILE B 26 -11.418 32.011 12.881 1.00 0.00 H new ATOM 0 HG12 ILE B 26 -9.437 33.528 11.210 1.00 0.00 H new ATOM 0 HG13 ILE B 26 -10.197 31.979 10.904 1.00 0.00 H new ATOM 0 HG21 ILE B 26 -12.498 34.191 12.530 1.00 0.00 H new ATOM 0 HG22 ILE B 26 -11.929 34.005 14.206 1.00 0.00 H new ATOM 0 HG23 ILE B 26 -11.012 35.013 13.061 1.00 0.00 H new ATOM 0 HD11 ILE B 26 -11.036 33.685 9.369 1.00 0.00 H new ATOM 0 HD12 ILE B 26 -12.340 33.107 10.433 1.00 0.00 H new ATOM 0 HD13 ILE B 26 -11.569 34.680 10.744 1.00 0.00 H new ATOM 1620 N HIS B 27 -10.146 33.713 15.801 1.00 0.00 N ATOM 1621 CA HIS B 27 -10.572 33.675 17.194 1.00 0.00 C ATOM 1622 C HIS B 27 -11.879 34.440 17.380 1.00 0.00 C ATOM 1623 O HIS B 27 -11.887 35.564 17.883 1.00 0.00 O ATOM 1624 CB HIS B 27 -9.487 34.257 18.102 1.00 0.00 C ATOM 1625 CG HIS B 27 -8.204 33.488 18.070 1.00 0.00 C ATOM 1626 ND1 HIS B 27 -7.595 33.082 16.901 1.00 0.00 N ATOM 1627 CD2 HIS B 27 -7.414 33.050 19.075 1.00 0.00 C ATOM 1628 CE1 HIS B 27 -6.484 32.428 17.190 1.00 0.00 C ATOM 1629 NE2 HIS B 27 -6.351 32.395 18.503 1.00 0.00 N ATOM 0 H HIS B 27 -9.985 34.651 15.433 1.00 0.00 H new ATOM 0 HA HIS B 27 -10.738 32.634 17.470 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -9.291 35.287 17.806 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -9.859 34.285 19.126 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -7.587 33.189 20.132 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -5.801 31.994 16.474 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -5.583 31.955 19.010 1.00 0.00 H new ATOM 1638 N PHE B 28 -12.981 33.822 16.968 1.00 0.00 N ATOM 1639 CA PHE B 28 -14.297 34.439 17.084 1.00 0.00 C ATOM 1640 C PHE B 28 -14.640 34.726 18.543 1.00 0.00 C ATOM 1641 O PHE B 28 -14.953 33.813 19.308 1.00 0.00 O ATOM 1642 CB PHE B 28 -15.365 33.535 16.466 1.00 0.00 C ATOM 1643 CG PHE B 28 -15.426 33.614 14.966 1.00 0.00 C ATOM 1644 CD1 PHE B 28 -15.966 34.725 14.340 1.00 0.00 C ATOM 1645 CD2 PHE B 28 -14.944 32.575 14.184 1.00 0.00 C ATOM 1646 CE1 PHE B 28 -16.023 34.801 12.961 1.00 0.00 C ATOM 1647 CE2 PHE B 28 -15.000 32.645 12.806 1.00 0.00 C ATOM 1648 CZ PHE B 28 -15.540 33.759 12.193 1.00 0.00 C ATOM 0 H PHE B 28 -12.988 32.892 16.550 1.00 0.00 H new ATOM 0 HA PHE B 28 -14.274 35.385 16.543 1.00 0.00 H new ATOM 0 HB2 PHE B 28 -15.170 32.504 16.760 1.00 0.00 H new ATOM 0 HB3 PHE B 28 -16.339 33.804 16.876 1.00 0.00 H new ATOM 0 HD1 PHE B 28 -16.347 35.541 14.936 1.00 0.00 H new ATOM 0 HD2 PHE B 28 -14.520 31.702 14.658 1.00 0.00 H new ATOM 0 HE1 PHE B 28 -16.445 35.674 12.485 1.00 0.00 H new ATOM 0 HE2 PHE B 28 -14.622 31.829 12.208 1.00 0.00 H new ATOM 0 HZ PHE B 28 -15.585 33.815 11.115 1.00 0.00 H new ATOM 1658 N ASP B 29 -14.576 35.998 18.921 1.00 0.00 N ATOM 1659 CA ASP B 29 -14.881 36.407 20.288 1.00 0.00 C ATOM 1660 C ASP B 29 -16.157 37.241 20.335 1.00 0.00 C ATOM 1661 O ASP B 29 -16.191 38.369 19.845 1.00 0.00 O ATOM 1662 CB ASP B 29 -13.715 37.205 20.876 1.00 0.00 C ATOM 1663 CG ASP B 29 -12.389 36.484 20.730 1.00 0.00 C ATOM 1664 OD1 ASP B 29 -12.316 35.295 21.105 1.00 0.00 O ATOM 1665 OD2 ASP B 29 -11.425 37.109 20.240 1.00 0.00 O ATOM 0 H ASP B 29 -14.316 36.764 18.300 1.00 0.00 H new ATOM 0 HA ASP B 29 -15.034 35.507 20.884 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -13.655 38.174 20.380 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -13.906 37.398 21.932 1.00 0.00 H new ATOM 1670 N ASN B 30 -17.205 36.676 20.927 1.00 0.00 N ATOM 1671 CA ASN B 30 -18.485 37.366 21.037 1.00 0.00 C ATOM 1672 C ASN B 30 -19.034 37.270 22.457 1.00 0.00 C ATOM 1673 O ASN B 30 -18.714 36.340 23.196 1.00 0.00 O ATOM 1674 CB ASN B 30 -19.492 36.777 20.049 1.00 0.00 C ATOM 1675 CG ASN B 30 -20.615 37.743 19.724 1.00 0.00 C ATOM 1676 OD1 ASN B 30 -21.533 37.937 20.521 1.00 0.00 O ATOM 1677 ND2 ASN B 30 -20.549 38.354 18.547 1.00 0.00 N ATOM 0 H ASN B 30 -17.193 35.742 21.338 1.00 0.00 H new ATOM 0 HA ASN B 30 -18.324 38.417 20.798 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -18.976 36.501 19.129 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -19.913 35.862 20.465 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -21.277 39.014 18.273 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -19.770 38.164 17.917 1.00 0.00 H new ATOM 1684 N GLU B 31 -19.864 38.240 22.831 1.00 0.00 N ATOM 1685 CA GLU B 31 -20.460 38.266 24.162 1.00 0.00 C ATOM 1686 C GLU B 31 -21.726 37.418 24.208 1.00 0.00 C ATOM 1687 O GLU B 31 -22.307 37.096 23.170 1.00 0.00 O ATOM 1688 CB GLU B 31 -20.780 39.704 24.573 1.00 0.00 C ATOM 1689 CG GLU B 31 -19.683 40.361 25.396 1.00 0.00 C ATOM 1690 CD GLU B 31 -20.214 41.019 26.655 1.00 0.00 C ATOM 1691 OE1 GLU B 31 -20.671 42.179 26.570 1.00 0.00 O ATOM 1692 OE2 GLU B 31 -20.174 40.375 27.724 1.00 0.00 O ATOM 0 H GLU B 31 -20.139 39.018 22.231 1.00 0.00 H new ATOM 0 HA GLU B 31 -19.738 37.847 24.864 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -20.955 40.299 23.676 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -21.707 39.711 25.147 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -18.940 39.612 25.668 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -19.175 41.108 24.787 1.00 0.00 H new ATOM 1699 N TRP B 32 -22.149 37.058 25.415 1.00 0.00 N ATOM 1700 CA TRP B 32 -23.347 36.247 25.597 1.00 0.00 C ATOM 1701 C TRP B 32 -24.595 37.007 25.147 1.00 0.00 C ATOM 1702 O TRP B 32 -24.953 38.026 25.737 1.00 0.00 O ATOM 1703 CB TRP B 32 -23.491 35.833 27.063 1.00 0.00 C ATOM 1704 CG TRP B 32 -22.234 35.264 27.646 1.00 0.00 C ATOM 1705 CD1 TRP B 32 -21.467 35.812 28.634 1.00 0.00 C ATOM 1706 CD2 TRP B 32 -21.598 34.035 27.279 1.00 0.00 C ATOM 1707 NE1 TRP B 32 -20.393 34.999 28.902 1.00 0.00 N ATOM 1708 CE2 TRP B 32 -20.451 33.902 28.084 1.00 0.00 C ATOM 1709 CE3 TRP B 32 -21.886 33.033 26.348 1.00 0.00 C ATOM 1710 CZ2 TRP B 32 -19.594 32.809 27.985 1.00 0.00 C ATOM 1711 CZ3 TRP B 32 -21.035 31.948 26.251 1.00 0.00 C ATOM 1712 CH2 TRP B 32 -19.902 31.843 27.066 1.00 0.00 C ATOM 0 H TRP B 32 -21.679 37.316 26.283 1.00 0.00 H new ATOM 0 HA TRP B 32 -23.246 35.353 24.982 1.00 0.00 H new ATOM 0 HB2 TRP B 32 -23.795 36.700 27.650 1.00 0.00 H new ATOM 0 HB3 TRP B 32 -24.289 35.095 27.148 1.00 0.00 H new ATOM 0 HD1 TRP B 32 -21.675 36.748 29.132 1.00 0.00 H new ATOM 0 HE1 TRP B 32 -19.670 35.182 29.597 1.00 0.00 H new ATOM 0 HE3 TRP B 32 -22.758 33.105 25.715 1.00 0.00 H new ATOM 0 HZ2 TRP B 32 -18.718 32.727 28.611 1.00 0.00 H new ATOM 0 HZ3 TRP B 32 -21.248 31.168 25.534 1.00 0.00 H new ATOM 0 HH2 TRP B 32 -19.258 30.982 26.968 1.00 0.00 H new ATOM 1723 N PRO B 33 -25.274 36.518 24.093 1.00 0.00 N ATOM 1724 CA PRO B 33 -26.486 37.159 23.569 1.00 0.00 C ATOM 1725 C PRO B 33 -27.575 37.288 24.629 1.00 0.00 C ATOM 1726 O PRO B 33 -28.442 38.157 24.540 1.00 0.00 O ATOM 1727 CB PRO B 33 -26.941 36.218 22.449 1.00 0.00 C ATOM 1728 CG PRO B 33 -25.720 35.452 22.069 1.00 0.00 C ATOM 1729 CD PRO B 33 -24.917 35.309 23.331 1.00 0.00 C ATOM 0 HA PRO B 33 -26.291 38.177 23.231 1.00 0.00 H new ATOM 0 HB2 PRO B 33 -27.734 35.553 22.790 1.00 0.00 H new ATOM 0 HB3 PRO B 33 -27.337 36.776 21.601 1.00 0.00 H new ATOM 0 HG2 PRO B 33 -25.982 34.476 21.660 1.00 0.00 H new ATOM 0 HG3 PRO B 33 -25.152 35.977 21.301 1.00 0.00 H new ATOM 0 HD2 PRO B 33 -25.177 34.400 23.873 1.00 0.00 H new ATOM 0 HD3 PRO B 33 -23.848 35.263 23.125 1.00 0.00 H new ATOM 1737 N LYS B 34 -27.523 36.416 25.631 1.00 0.00 N ATOM 1738 CA LYS B 34 -28.504 36.429 26.710 1.00 0.00 C ATOM 1739 C LYS B 34 -28.258 37.603 27.654 1.00 0.00 C ATOM 1740 O LYS B 34 -27.388 38.439 27.409 1.00 0.00 O ATOM 1741 CB LYS B 34 -28.453 35.114 27.490 1.00 0.00 C ATOM 1742 CG LYS B 34 -27.045 34.684 27.870 1.00 0.00 C ATOM 1743 CD LYS B 34 -26.893 34.546 29.377 1.00 0.00 C ATOM 1744 CE LYS B 34 -26.520 33.126 29.771 1.00 0.00 C ATOM 1745 NZ LYS B 34 -27.697 32.359 30.265 1.00 0.00 N ATOM 0 H LYS B 34 -26.811 35.691 25.718 1.00 0.00 H new ATOM 0 HA LYS B 34 -29.493 36.542 26.267 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -29.050 35.216 28.397 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -28.914 34.328 26.892 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -26.812 33.733 27.391 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -26.327 35.414 27.496 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -26.127 35.236 29.731 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -27.826 34.827 29.865 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -26.087 32.613 28.912 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -25.754 33.154 30.546 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -27.400 31.396 30.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -28.095 32.834 31.100 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -28.418 32.310 29.517 1.00 0.00 H new ATOM 1759 N GLU B 35 -29.032 37.659 28.734 1.00 0.00 N ATOM 1760 CA GLU B 35 -28.900 38.729 29.716 1.00 0.00 C ATOM 1761 C GLU B 35 -27.635 38.551 30.548 1.00 0.00 C ATOM 1762 O GLU B 35 -27.099 37.447 30.654 1.00 0.00 O ATOM 1763 CB GLU B 35 -30.126 38.765 30.629 1.00 0.00 C ATOM 1764 CG GLU B 35 -31.444 38.845 29.877 1.00 0.00 C ATOM 1765 CD GLU B 35 -32.640 38.939 30.804 1.00 0.00 C ATOM 1766 OE1 GLU B 35 -32.612 39.783 31.725 1.00 0.00 O ATOM 1767 OE2 GLU B 35 -33.605 38.171 30.609 1.00 0.00 O ATOM 0 H GLU B 35 -29.757 36.975 28.951 1.00 0.00 H new ATOM 0 HA GLU B 35 -28.828 39.675 29.179 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -30.128 37.873 31.255 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -30.046 39.623 31.297 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -31.430 39.714 29.219 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -31.550 37.965 29.242 1.00 0.00 H new ATOM 1774 N ASP B 36 -27.163 39.644 31.140 1.00 0.00 N ATOM 1775 CA ASP B 36 -25.960 39.610 31.965 1.00 0.00 C ATOM 1776 C ASP B 36 -26.205 40.283 33.310 1.00 0.00 C ATOM 1777 O ASP B 36 -27.089 41.163 33.380 1.00 0.00 O ATOM 1778 CB ASP B 36 -24.800 40.296 31.240 1.00 0.00 C ATOM 1779 CG ASP B 36 -23.463 39.656 31.555 1.00 0.00 C ATOM 1780 OD1 ASP B 36 -23.267 38.479 31.188 1.00 0.00 O ATOM 1781 OD2 ASP B 36 -22.611 40.332 32.168 1.00 0.00 O ATOM 1782 OXT ASP B 36 -25.511 39.925 34.285 1.00 0.00 O ATOM 0 H ASP B 36 -27.596 40.565 31.064 1.00 0.00 H new ATOM 0 HA ASP B 36 -25.700 38.567 32.144 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -24.974 40.258 30.165 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -24.771 41.349 31.521 1.00 0.00 H new TER 1787 ASP B 36