USER MOD reduce.3.24.130724 H: found=0, std=0, add=997, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 994 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 119 SER OG : rot 145:sc= 0.312 USER MOD Set 1.2: A 121 TYR OH : rot 180:sc= 0.255 USER MOD Set 2.1: A 73 HIS : no HE2:sc= -1.02 K(o=0.25,f=-8.6!) USER MOD Set 2.2: A 85 SER OG : rot -143:sc= 1.27 USER MOD Set 3.1: A 55 LYS NZ :NH3+ -155:sc= 0.301 (180deg=0.0899!) USER MOD Set 3.2: A 82 TYR OH : rot 165:sc= -4.76! USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 134:sc= -2.52! USER MOD Single : A 6 TYR OH : rot 30:sc= -0.204 USER MOD Single : A 8 ASN : amide:sc= -0.0818 K(o=-0.082,f=-1.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -12:sc= 0.158 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0.00162 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.000522 K(o=-0.00052,f=-1.6!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 62:sc= -0.445 USER MOD Single : A 53 THR OG1 : rot -2:sc= -3.54! USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -89:sc= -3.69! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -15.7! C(o=-16!,f=-17!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN :FLIP amide:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.77! C(o=-2.8!,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot 49:sc= 0.687 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 111:sc= 0.737 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.122 K(o=-0.12,f=-1.7!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 15:sc= -0.0417 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= -0.46 K(o=-0.46,f=-1.5) USER MOD Single : A 113 THR OG1 : rot 109:sc= -0.083 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 HIS :FLIP no HD1:sc= -1.74! C(o=-3.2!,f=-1.7!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N VAL A 3 -7.733 -1.876 17.576 1.00 0.00 N ATOM 9 CA VAL A 3 -6.588 -2.284 16.716 1.00 0.00 C ATOM 10 C VAL A 3 -5.611 -1.115 16.574 1.00 0.00 C ATOM 11 O VAL A 3 -6.006 0.015 16.364 1.00 0.00 O ATOM 12 CB VAL A 3 -7.106 -2.682 15.331 1.00 0.00 C ATOM 13 CG1 VAL A 3 -5.920 -2.941 14.399 1.00 0.00 C ATOM 14 CG2 VAL A 3 -7.948 -3.953 15.447 1.00 0.00 C ATOM 0 HA VAL A 3 -6.077 -3.132 17.173 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.718 -1.876 14.927 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.287 -3.224 13.413 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.318 -2.036 14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.308 -3.747 14.804 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.317 -4.236 14.461 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.336 -4.759 15.851 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -8.792 -3.771 16.112 1.00 0.00 H new ATOM 24 N TYR A 4 -4.338 -1.377 16.684 1.00 0.00 N ATOM 25 CA TYR A 4 -3.336 -0.283 16.553 1.00 0.00 C ATOM 26 C TYR A 4 -2.537 -0.482 15.263 1.00 0.00 C ATOM 27 O TYR A 4 -2.119 -1.576 14.943 1.00 0.00 O ATOM 28 CB TYR A 4 -2.384 -0.314 17.751 1.00 0.00 C ATOM 29 CG TYR A 4 -3.182 -0.241 19.031 1.00 0.00 C ATOM 30 CD1 TYR A 4 -3.701 0.985 19.465 1.00 0.00 C ATOM 31 CD2 TYR A 4 -3.401 -1.401 19.785 1.00 0.00 C ATOM 32 CE1 TYR A 4 -4.439 1.051 20.653 1.00 0.00 C ATOM 33 CE2 TYR A 4 -4.140 -1.333 20.972 1.00 0.00 C ATOM 34 CZ TYR A 4 -4.659 -0.109 21.406 1.00 0.00 C ATOM 35 OH TYR A 4 -5.387 -0.043 22.577 1.00 0.00 O ATOM 0 H TYR A 4 -3.948 -2.303 16.859 1.00 0.00 H new ATOM 0 HA TYR A 4 -3.848 0.679 16.523 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -1.789 -1.227 17.733 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -1.687 0.522 17.697 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.532 1.879 18.884 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.000 -2.347 19.451 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.839 1.997 20.989 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.310 -2.227 21.554 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.447 -0.936 22.976 1.00 0.00 H new ATOM 45 N THR A 5 -2.324 0.568 14.517 1.00 0.00 N ATOM 46 CA THR A 5 -1.555 0.433 13.248 1.00 0.00 C ATOM 47 C THR A 5 -0.124 0.931 13.461 1.00 0.00 C ATOM 48 O THR A 5 0.099 1.988 14.017 1.00 0.00 O ATOM 49 CB THR A 5 -2.227 1.265 12.153 1.00 0.00 C ATOM 50 OG1 THR A 5 -3.597 0.903 12.060 1.00 0.00 O ATOM 51 CG2 THR A 5 -1.535 1.003 10.814 1.00 0.00 C ATOM 0 H THR A 5 -2.649 1.511 14.731 1.00 0.00 H new ATOM 0 HA THR A 5 -1.533 -0.614 12.947 1.00 0.00 H new ATOM 0 HB THR A 5 -2.147 2.324 12.399 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.147 1.713 12.017 1.00 0.00 H new ATOM 0 HG21 THR A 5 -2.014 1.596 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.484 1.281 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.614 -0.055 10.565 1.00 0.00 H new ATOM 59 N TYR A 6 0.847 0.179 13.021 1.00 0.00 N ATOM 60 CA TYR A 6 2.263 0.612 13.198 1.00 0.00 C ATOM 61 C TYR A 6 2.922 0.769 11.826 1.00 0.00 C ATOM 62 O TYR A 6 2.814 -0.089 10.973 1.00 0.00 O ATOM 63 CB TYR A 6 3.021 -0.439 14.011 1.00 0.00 C ATOM 64 CG TYR A 6 2.301 -0.679 15.317 1.00 0.00 C ATOM 65 CD1 TYR A 6 2.477 0.206 16.386 1.00 0.00 C ATOM 66 CD2 TYR A 6 1.458 -1.788 15.457 1.00 0.00 C ATOM 67 CE1 TYR A 6 1.810 -0.017 17.597 1.00 0.00 C ATOM 68 CE2 TYR A 6 0.791 -2.011 16.667 1.00 0.00 C ATOM 69 CZ TYR A 6 0.967 -1.125 17.738 1.00 0.00 C ATOM 70 OH TYR A 6 0.310 -1.346 18.930 1.00 0.00 O ATOM 0 H TYR A 6 0.722 -0.716 12.547 1.00 0.00 H new ATOM 0 HA TYR A 6 2.288 1.566 13.725 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.093 -1.369 13.447 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.040 -0.102 14.201 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.127 1.061 16.277 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.322 -2.471 14.632 1.00 0.00 H new ATOM 0 HE1 TYR A 6 1.946 0.666 18.422 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.140 -2.866 16.775 1.00 0.00 H new ATOM 0 HH TYR A 6 0.135 -0.488 19.371 1.00 0.00 H new ATOM 80 N GLU A 7 3.606 1.859 11.608 1.00 0.00 N ATOM 81 CA GLU A 7 4.273 2.069 10.293 1.00 0.00 C ATOM 82 C GLU A 7 5.786 1.918 10.459 1.00 0.00 C ATOM 83 O GLU A 7 6.357 2.338 11.446 1.00 0.00 O ATOM 84 CB GLU A 7 3.952 3.474 9.778 1.00 0.00 C ATOM 85 CG GLU A 7 4.555 3.657 8.383 1.00 0.00 C ATOM 86 CD GLU A 7 4.321 5.093 7.912 1.00 0.00 C ATOM 87 OE1 GLU A 7 3.786 5.870 8.686 1.00 0.00 O ATOM 88 OE2 GLU A 7 4.678 5.392 6.784 1.00 0.00 O ATOM 0 H GLU A 7 3.731 2.613 12.284 1.00 0.00 H new ATOM 0 HA GLU A 7 3.911 1.329 9.579 1.00 0.00 H new ATOM 0 HB2 GLU A 7 2.873 3.622 9.741 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.353 4.223 10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.623 3.439 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.101 2.955 7.684 1.00 0.00 H new ATOM 95 N ASN A 8 6.442 1.321 9.501 1.00 0.00 N ATOM 96 CA ASN A 8 7.917 1.144 9.606 1.00 0.00 C ATOM 97 C ASN A 8 8.591 1.707 8.354 1.00 0.00 C ATOM 98 O ASN A 8 8.197 1.415 7.242 1.00 0.00 O ATOM 99 CB ASN A 8 8.243 -0.345 9.735 1.00 0.00 C ATOM 100 CG ASN A 8 9.692 -0.513 10.198 1.00 0.00 C ATOM 101 OD1 ASN A 8 10.220 0.329 10.897 1.00 0.00 O ATOM 102 ND2 ASN A 8 10.360 -1.572 9.837 1.00 0.00 N ATOM 0 H ASN A 8 6.020 0.949 8.651 1.00 0.00 H new ATOM 0 HA ASN A 8 8.284 1.675 10.484 1.00 0.00 H new ATOM 0 HB2 ASN A 8 7.566 -0.816 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 8 8.096 -0.844 8.777 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.326 -1.694 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.917 -2.279 9.250 1.00 0.00 H new ATOM 109 N GLU A 9 9.602 2.513 8.524 1.00 0.00 N ATOM 110 CA GLU A 9 10.299 3.096 7.343 1.00 0.00 C ATOM 111 C GLU A 9 11.728 2.554 7.274 1.00 0.00 C ATOM 112 O GLU A 9 12.386 2.377 8.281 1.00 0.00 O ATOM 113 CB GLU A 9 10.339 4.620 7.475 1.00 0.00 C ATOM 114 CG GLU A 9 8.913 5.160 7.597 1.00 0.00 C ATOM 115 CD GLU A 9 8.952 6.687 7.677 1.00 0.00 C ATOM 116 OE1 GLU A 9 10.034 7.225 7.849 1.00 0.00 O ATOM 117 OE2 GLU A 9 7.900 7.294 7.565 1.00 0.00 O ATOM 0 H GLU A 9 9.976 2.794 9.430 1.00 0.00 H new ATOM 0 HA GLU A 9 9.762 2.823 6.434 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.923 4.904 8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.832 5.058 6.607 1.00 0.00 H new ATOM 0 HG2 GLU A 9 8.319 4.845 6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 9 8.432 4.751 8.486 1.00 0.00 H new ATOM 124 N PHE A 10 12.216 2.288 6.093 1.00 0.00 N ATOM 125 CA PHE A 10 13.603 1.759 5.959 1.00 0.00 C ATOM 126 C PHE A 10 14.077 1.932 4.514 1.00 0.00 C ATOM 127 O PHE A 10 13.312 1.799 3.580 1.00 0.00 O ATOM 128 CB PHE A 10 13.621 0.274 6.329 1.00 0.00 C ATOM 129 CG PHE A 10 15.025 -0.263 6.189 1.00 0.00 C ATOM 130 CD1 PHE A 10 15.945 -0.101 7.232 1.00 0.00 C ATOM 131 CD2 PHE A 10 15.407 -0.923 5.015 1.00 0.00 C ATOM 132 CE1 PHE A 10 17.247 -0.599 7.101 1.00 0.00 C ATOM 133 CE2 PHE A 10 16.709 -1.421 4.884 1.00 0.00 C ATOM 134 CZ PHE A 10 17.629 -1.259 5.927 1.00 0.00 C ATOM 0 H PHE A 10 11.714 2.414 5.214 1.00 0.00 H new ATOM 0 HA PHE A 10 14.267 2.307 6.627 1.00 0.00 H new ATOM 0 HB2 PHE A 10 13.269 0.139 7.352 1.00 0.00 H new ATOM 0 HB3 PHE A 10 12.942 -0.281 5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 10 15.650 0.408 8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 10 14.697 -1.048 4.210 1.00 0.00 H new ATOM 0 HE1 PHE A 10 17.957 -0.474 7.906 1.00 0.00 H new ATOM 0 HE2 PHE A 10 17.004 -1.930 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 10 18.633 -1.643 5.826 1.00 0.00 H new ATOM 144 N THR A 11 15.334 2.230 4.323 1.00 0.00 N ATOM 145 CA THR A 11 15.855 2.412 2.939 1.00 0.00 C ATOM 146 C THR A 11 16.632 1.163 2.516 1.00 0.00 C ATOM 147 O THR A 11 17.293 0.531 3.316 1.00 0.00 O ATOM 148 CB THR A 11 16.784 3.628 2.899 1.00 0.00 C ATOM 149 OG1 THR A 11 18.049 3.274 3.439 1.00 0.00 O ATOM 150 CG2 THR A 11 16.176 4.765 3.723 1.00 0.00 C ATOM 0 H THR A 11 16.022 2.355 5.066 1.00 0.00 H new ATOM 0 HA THR A 11 15.020 2.569 2.256 1.00 0.00 H new ATOM 0 HB THR A 11 16.908 3.956 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 11 18.645 4.051 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 11 16.838 5.630 3.694 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.206 5.037 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.050 4.439 4.756 1.00 0.00 H new ATOM 158 N SER A 12 16.556 0.799 1.264 1.00 0.00 N ATOM 159 CA SER A 12 17.290 -0.411 0.795 1.00 0.00 C ATOM 160 C SER A 12 17.833 -0.166 -0.615 1.00 0.00 C ATOM 161 O SER A 12 17.468 0.787 -1.275 1.00 0.00 O ATOM 162 CB SER A 12 16.336 -1.606 0.771 1.00 0.00 C ATOM 163 OG SER A 12 15.812 -1.818 2.074 1.00 0.00 O ATOM 0 H SER A 12 16.018 1.286 0.547 1.00 0.00 H new ATOM 0 HA SER A 12 18.119 -0.618 1.472 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.525 -1.424 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 12 16.861 -2.498 0.429 1.00 0.00 H new ATOM 0 HG SER A 12 16.323 -1.290 2.722 1.00 0.00 H new ATOM 169 N ASP A 13 18.702 -1.021 -1.081 1.00 0.00 N ATOM 170 CA ASP A 13 19.270 -0.839 -2.447 1.00 0.00 C ATOM 171 C ASP A 13 18.255 -1.318 -3.489 1.00 0.00 C ATOM 172 O ASP A 13 17.147 -1.693 -3.162 1.00 0.00 O ATOM 173 CB ASP A 13 20.558 -1.656 -2.576 1.00 0.00 C ATOM 174 CG ASP A 13 21.495 -0.975 -3.575 1.00 0.00 C ATOM 175 OD1 ASP A 13 21.100 0.035 -4.135 1.00 0.00 O ATOM 176 OD2 ASP A 13 22.593 -1.473 -3.761 1.00 0.00 O ATOM 0 H ASP A 13 19.043 -1.838 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 13 19.490 0.216 -2.612 1.00 0.00 H new ATOM 0 HB2 ASP A 13 21.045 -1.743 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 13 20.328 -2.668 -2.909 1.00 0.00 H new ATOM 181 N ILE A 14 18.625 -1.304 -4.740 1.00 0.00 N ATOM 182 CA ILE A 14 17.681 -1.754 -5.803 1.00 0.00 C ATOM 183 C ILE A 14 16.507 -0.776 -5.883 1.00 0.00 C ATOM 184 O ILE A 14 16.022 -0.292 -4.881 1.00 0.00 O ATOM 185 CB ILE A 14 17.162 -3.154 -5.469 1.00 0.00 C ATOM 186 CG1 ILE A 14 18.296 -3.993 -4.877 1.00 0.00 C ATOM 187 CG2 ILE A 14 16.648 -3.822 -6.748 1.00 0.00 C ATOM 188 CD1 ILE A 14 17.980 -4.321 -3.418 1.00 0.00 C ATOM 0 H ILE A 14 19.540 -1.000 -5.073 1.00 0.00 H new ATOM 0 HA ILE A 14 18.198 -1.782 -6.762 1.00 0.00 H new ATOM 0 HB ILE A 14 16.352 -3.078 -4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 14 18.419 -4.913 -5.449 1.00 0.00 H new ATOM 0 HG13 ILE A 14 19.238 -3.448 -4.943 1.00 0.00 H new ATOM 0 HG21 ILE A 14 16.277 -4.820 -6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.840 -3.225 -7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 14 17.460 -3.897 -7.471 1.00 0.00 H new ATOM 0 HD11 ILE A 14 18.788 -4.919 -2.996 1.00 0.00 H new ATOM 0 HD12 ILE A 14 17.879 -3.396 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 14 17.047 -4.883 -3.365 1.00 0.00 H new ATOM 200 N PRO A 15 16.049 -0.480 -7.107 1.00 0.00 N ATOM 201 CA PRO A 15 14.934 0.446 -7.331 1.00 0.00 C ATOM 202 C PRO A 15 13.591 -0.147 -6.890 1.00 0.00 C ATOM 203 O PRO A 15 13.372 -1.340 -6.952 1.00 0.00 O ATOM 204 CB PRO A 15 14.948 0.667 -8.844 1.00 0.00 C ATOM 205 CG PRO A 15 15.599 -0.553 -9.401 1.00 0.00 C ATOM 206 CD PRO A 15 16.583 -1.025 -8.367 1.00 0.00 C ATOM 0 HA PRO A 15 15.046 1.364 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 15 13.938 0.790 -9.235 1.00 0.00 H new ATOM 0 HB3 PRO A 15 15.504 1.567 -9.107 1.00 0.00 H new ATOM 0 HG2 PRO A 15 14.859 -1.325 -9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 15 16.103 -0.328 -10.341 1.00 0.00 H new ATOM 0 HD2 PRO A 15 16.645 -2.113 -8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 15 17.588 -0.654 -8.571 1.00 0.00 H new ATOM 214 N ALA A 16 12.698 0.688 -6.436 1.00 0.00 N ATOM 215 CA ALA A 16 11.363 0.207 -5.974 1.00 0.00 C ATOM 216 C ALA A 16 10.830 -0.917 -6.875 1.00 0.00 C ATOM 217 O ALA A 16 10.424 -1.955 -6.394 1.00 0.00 O ATOM 218 CB ALA A 16 10.376 1.376 -5.992 1.00 0.00 C ATOM 0 H ALA A 16 12.837 1.696 -6.364 1.00 0.00 H new ATOM 0 HA ALA A 16 11.471 -0.188 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.398 1.032 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.732 2.163 -5.327 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.294 1.767 -7.006 1.00 0.00 H new ATOM 224 N PRO A 17 10.804 -0.703 -8.203 1.00 0.00 N ATOM 225 CA PRO A 17 10.287 -1.703 -9.155 1.00 0.00 C ATOM 226 C PRO A 17 11.116 -2.991 -9.181 1.00 0.00 C ATOM 227 O PRO A 17 10.577 -4.080 -9.202 1.00 0.00 O ATOM 228 CB PRO A 17 10.369 -0.987 -10.504 1.00 0.00 C ATOM 229 CG PRO A 17 11.428 0.042 -10.311 1.00 0.00 C ATOM 230 CD PRO A 17 11.275 0.512 -8.894 1.00 0.00 C ATOM 0 HA PRO A 17 9.282 -2.028 -8.886 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.628 -1.678 -11.306 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.416 -0.531 -10.771 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.419 -0.378 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 17 11.307 0.867 -11.013 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.217 0.873 -8.482 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.558 1.329 -8.813 1.00 0.00 H new ATOM 238 N LYS A 18 12.416 -2.889 -9.186 1.00 0.00 N ATOM 239 CA LYS A 18 13.249 -4.125 -9.216 1.00 0.00 C ATOM 240 C LYS A 18 13.020 -4.931 -7.936 1.00 0.00 C ATOM 241 O LYS A 18 13.040 -6.146 -7.946 1.00 0.00 O ATOM 242 CB LYS A 18 14.727 -3.748 -9.327 1.00 0.00 C ATOM 243 CG LYS A 18 15.043 -3.362 -10.774 1.00 0.00 C ATOM 244 CD LYS A 18 16.551 -3.157 -10.934 1.00 0.00 C ATOM 245 CE LYS A 18 16.836 -2.518 -12.294 1.00 0.00 C ATOM 246 NZ LYS A 18 18.201 -1.920 -12.286 1.00 0.00 N ATOM 0 H LYS A 18 12.935 -2.011 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 18 12.965 -4.728 -10.078 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.953 -2.917 -8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.352 -4.585 -9.017 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.698 -4.142 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.511 -2.449 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.929 -2.520 -10.134 1.00 0.00 H new ATOM 0 HD3 LYS A 18 17.070 -4.112 -10.853 1.00 0.00 H new ATOM 0 HE2 LYS A 18 16.760 -3.267 -13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.093 -1.751 -12.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 18.395 -1.485 -13.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.258 -1.194 -11.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 18.904 -2.663 -12.098 1.00 0.00 H new ATOM 260 N LEU A 19 12.803 -4.268 -6.834 1.00 0.00 N ATOM 261 CA LEU A 19 12.575 -5.000 -5.557 1.00 0.00 C ATOM 262 C LEU A 19 11.124 -5.481 -5.486 1.00 0.00 C ATOM 263 O LEU A 19 10.828 -6.506 -4.904 1.00 0.00 O ATOM 264 CB LEU A 19 12.859 -4.067 -4.377 1.00 0.00 C ATOM 265 CG LEU A 19 12.787 -4.862 -3.071 1.00 0.00 C ATOM 266 CD1 LEU A 19 13.786 -4.283 -2.066 1.00 0.00 C ATOM 267 CD2 LEU A 19 11.374 -4.769 -2.494 1.00 0.00 C ATOM 0 H LEU A 19 12.774 -3.251 -6.763 1.00 0.00 H new ATOM 0 HA LEU A 19 13.242 -5.861 -5.513 1.00 0.00 H new ATOM 0 HB2 LEU A 19 13.845 -3.614 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.134 -3.253 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 19 13.031 -5.906 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 19 13.735 -4.849 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 19 14.794 -4.348 -2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.541 -3.239 -1.870 1.00 0.00 H new ATOM 0 HD21 LEU A 19 11.323 -5.335 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.129 -3.725 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.661 -5.180 -3.209 1.00 0.00 H new ATOM 279 N PHE A 20 10.213 -4.749 -6.069 1.00 0.00 N ATOM 280 CA PHE A 20 8.781 -5.165 -6.026 1.00 0.00 C ATOM 281 C PHE A 20 8.595 -6.469 -6.806 1.00 0.00 C ATOM 282 O PHE A 20 7.800 -7.312 -6.442 1.00 0.00 O ATOM 283 CB PHE A 20 7.913 -4.073 -6.654 1.00 0.00 C ATOM 284 CG PHE A 20 6.460 -4.481 -6.578 1.00 0.00 C ATOM 285 CD1 PHE A 20 5.696 -4.147 -5.453 1.00 0.00 C ATOM 286 CD2 PHE A 20 5.877 -5.194 -7.632 1.00 0.00 C ATOM 287 CE1 PHE A 20 4.351 -4.524 -5.383 1.00 0.00 C ATOM 288 CE2 PHE A 20 4.531 -5.573 -7.562 1.00 0.00 C ATOM 289 CZ PHE A 20 3.768 -5.238 -6.437 1.00 0.00 C ATOM 0 H PHE A 20 10.398 -3.882 -6.573 1.00 0.00 H new ATOM 0 HA PHE A 20 8.485 -5.319 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.064 -3.128 -6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 20 8.204 -3.914 -7.692 1.00 0.00 H new ATOM 0 HD1 PHE A 20 6.146 -3.598 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.466 -5.452 -8.500 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.762 -4.264 -4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.082 -6.123 -8.375 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.730 -5.530 -6.382 1.00 0.00 H new ATOM 299 N LYS A 21 9.317 -6.639 -7.879 1.00 0.00 N ATOM 300 CA LYS A 21 9.174 -7.885 -8.683 1.00 0.00 C ATOM 301 C LYS A 21 9.622 -9.090 -7.851 1.00 0.00 C ATOM 302 O LYS A 21 8.995 -10.130 -7.860 1.00 0.00 O ATOM 303 CB LYS A 21 10.036 -7.782 -9.941 1.00 0.00 C ATOM 304 CG LYS A 21 9.473 -6.693 -10.855 1.00 0.00 C ATOM 305 CD LYS A 21 10.258 -6.671 -12.168 1.00 0.00 C ATOM 306 CE LYS A 21 9.801 -5.483 -13.016 1.00 0.00 C ATOM 307 NZ LYS A 21 10.564 -4.266 -12.617 1.00 0.00 N ATOM 0 H LYS A 21 10.000 -5.969 -8.234 1.00 0.00 H new ATOM 0 HA LYS A 21 8.130 -8.013 -8.968 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.066 -7.549 -9.671 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.052 -8.738 -10.464 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.418 -6.880 -11.053 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.538 -5.722 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.326 -6.596 -11.964 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.102 -7.602 -12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.960 -5.695 -14.073 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.732 -5.316 -12.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.122 -3.425 -13.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.558 -4.177 -11.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.545 -4.346 -12.952 1.00 0.00 H new ATOM 321 N ALA A 22 10.703 -8.959 -7.132 1.00 0.00 N ATOM 322 CA ALA A 22 11.187 -10.100 -6.304 1.00 0.00 C ATOM 323 C ALA A 22 10.454 -10.103 -4.960 1.00 0.00 C ATOM 324 O ALA A 22 10.210 -11.143 -4.379 1.00 0.00 O ATOM 325 CB ALA A 22 12.691 -9.955 -6.063 1.00 0.00 C ATOM 0 H ALA A 22 11.271 -8.113 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 22 10.991 -11.036 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.045 -10.790 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.214 -9.953 -7.019 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.887 -9.019 -5.540 1.00 0.00 H new ATOM 331 N PHE A 23 10.100 -8.951 -4.462 1.00 0.00 N ATOM 332 CA PHE A 23 9.382 -8.892 -3.158 1.00 0.00 C ATOM 333 C PHE A 23 7.911 -9.254 -3.367 1.00 0.00 C ATOM 334 O PHE A 23 7.160 -9.414 -2.425 1.00 0.00 O ATOM 335 CB PHE A 23 9.482 -7.476 -2.584 1.00 0.00 C ATOM 336 CG PHE A 23 8.798 -7.430 -1.239 1.00 0.00 C ATOM 337 CD1 PHE A 23 7.420 -7.195 -1.162 1.00 0.00 C ATOM 338 CD2 PHE A 23 9.541 -7.624 -0.069 1.00 0.00 C ATOM 339 CE1 PHE A 23 6.785 -7.152 0.085 1.00 0.00 C ATOM 340 CE2 PHE A 23 8.906 -7.582 1.179 1.00 0.00 C ATOM 341 CZ PHE A 23 7.528 -7.346 1.255 1.00 0.00 C ATOM 0 H PHE A 23 10.277 -8.048 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 23 9.834 -9.599 -2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 23 10.528 -7.186 -2.482 1.00 0.00 H new ATOM 0 HB3 PHE A 23 9.018 -6.762 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.846 -7.047 -2.065 1.00 0.00 H new ATOM 0 HD2 PHE A 23 10.604 -7.806 -0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.722 -6.969 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 23 9.479 -7.732 2.082 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.038 -7.314 2.217 1.00 0.00 H new ATOM 351 N VAL A 24 7.490 -9.386 -4.596 1.00 0.00 N ATOM 352 CA VAL A 24 6.068 -9.737 -4.862 1.00 0.00 C ATOM 353 C VAL A 24 6.006 -11.004 -5.718 1.00 0.00 C ATOM 354 O VAL A 24 5.592 -12.052 -5.263 1.00 0.00 O ATOM 355 CB VAL A 24 5.389 -8.585 -5.606 1.00 0.00 C ATOM 356 CG1 VAL A 24 3.928 -8.946 -5.880 1.00 0.00 C ATOM 357 CG2 VAL A 24 5.451 -7.320 -4.748 1.00 0.00 C ATOM 0 H VAL A 24 8.070 -9.266 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 24 5.554 -9.912 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 24 5.902 -8.409 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.444 -8.126 -6.410 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.884 -9.848 -6.490 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.413 -9.122 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.968 -6.498 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.937 -7.496 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.492 -7.064 -4.553 1.00 0.00 H new ATOM 367 N LEU A 25 6.415 -10.916 -6.954 1.00 0.00 N ATOM 368 CA LEU A 25 6.379 -12.115 -7.838 1.00 0.00 C ATOM 369 C LEU A 25 7.197 -13.242 -7.203 1.00 0.00 C ATOM 370 O LEU A 25 6.785 -14.385 -7.185 1.00 0.00 O ATOM 371 CB LEU A 25 6.971 -11.760 -9.202 1.00 0.00 C ATOM 372 CG LEU A 25 6.806 -12.947 -10.154 1.00 0.00 C ATOM 373 CD1 LEU A 25 5.397 -12.929 -10.751 1.00 0.00 C ATOM 374 CD2 LEU A 25 7.838 -12.846 -11.278 1.00 0.00 C ATOM 0 H LEU A 25 6.772 -10.066 -7.390 1.00 0.00 H new ATOM 0 HA LEU A 25 5.347 -12.443 -7.964 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.472 -10.881 -9.610 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.026 -11.507 -9.098 1.00 0.00 H new ATOM 0 HG LEU A 25 6.956 -13.877 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.278 -13.774 -11.429 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.661 -13.001 -9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.246 -11.999 -11.300 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.721 -13.691 -11.956 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.688 -11.916 -11.827 1.00 0.00 H new ATOM 0 HD23 LEU A 25 8.842 -12.858 -10.853 1.00 0.00 H new ATOM 386 N ASP A 26 8.352 -12.930 -6.683 1.00 0.00 N ATOM 387 CA ASP A 26 9.194 -13.984 -6.052 1.00 0.00 C ATOM 388 C ASP A 26 8.935 -14.010 -4.544 1.00 0.00 C ATOM 389 O ASP A 26 9.667 -14.618 -3.790 1.00 0.00 O ATOM 390 CB ASP A 26 10.672 -13.679 -6.312 1.00 0.00 C ATOM 391 CG ASP A 26 10.939 -13.698 -7.818 1.00 0.00 C ATOM 392 OD1 ASP A 26 10.121 -14.245 -8.539 1.00 0.00 O ATOM 393 OD2 ASP A 26 11.958 -13.165 -8.225 1.00 0.00 O ATOM 0 H ASP A 26 8.749 -11.990 -6.668 1.00 0.00 H new ATOM 0 HA ASP A 26 8.943 -14.955 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.932 -12.705 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.300 -14.416 -5.811 1.00 0.00 H new ATOM 398 N ALA A 27 7.900 -13.352 -4.099 1.00 0.00 N ATOM 399 CA ALA A 27 7.595 -13.338 -2.639 1.00 0.00 C ATOM 400 C ALA A 27 7.124 -14.727 -2.202 1.00 0.00 C ATOM 401 O ALA A 27 7.363 -15.153 -1.090 1.00 0.00 O ATOM 402 CB ALA A 27 6.493 -12.316 -2.359 1.00 0.00 C ATOM 0 H ALA A 27 7.252 -12.823 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 27 8.493 -13.067 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.269 -12.305 -1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.827 -11.326 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.596 -12.587 -2.915 1.00 0.00 H new ATOM 408 N ASP A 28 6.453 -15.437 -3.067 1.00 0.00 N ATOM 409 CA ASP A 28 5.965 -16.796 -2.700 1.00 0.00 C ATOM 410 C ASP A 28 7.159 -17.731 -2.491 1.00 0.00 C ATOM 411 O ASP A 28 7.132 -18.608 -1.651 1.00 0.00 O ATOM 412 CB ASP A 28 5.081 -17.341 -3.824 1.00 0.00 C ATOM 413 CG ASP A 28 3.791 -16.523 -3.899 1.00 0.00 C ATOM 414 OD1 ASP A 28 3.491 -15.836 -2.936 1.00 0.00 O ATOM 415 OD2 ASP A 28 3.124 -16.597 -4.918 1.00 0.00 O ATOM 0 H ASP A 28 6.221 -15.134 -4.013 1.00 0.00 H new ATOM 0 HA ASP A 28 5.386 -16.736 -1.778 1.00 0.00 H new ATOM 0 HB2 ASP A 28 5.611 -17.292 -4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.849 -18.390 -3.642 1.00 0.00 H new ATOM 420 N ASN A 29 8.205 -17.551 -3.249 1.00 0.00 N ATOM 421 CA ASN A 29 9.397 -18.431 -3.093 1.00 0.00 C ATOM 422 C ASN A 29 10.462 -17.707 -2.266 1.00 0.00 C ATOM 423 O ASN A 29 11.081 -18.283 -1.393 1.00 0.00 O ATOM 424 CB ASN A 29 9.966 -18.767 -4.473 1.00 0.00 C ATOM 425 CG ASN A 29 10.883 -19.987 -4.364 1.00 0.00 C ATOM 426 OD1 ASN A 29 10.453 -21.050 -3.961 1.00 0.00 O ATOM 427 ND2 ASN A 29 12.138 -19.879 -4.707 1.00 0.00 N ATOM 0 H ASN A 29 8.286 -16.833 -3.969 1.00 0.00 H new ATOM 0 HA ASN A 29 9.105 -19.350 -2.585 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.155 -18.970 -5.173 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.521 -17.915 -4.866 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.757 -20.686 -4.637 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.499 -18.987 -5.045 1.00 0.00 H new ATOM 434 N LEU A 30 10.681 -16.450 -2.535 1.00 0.00 N ATOM 435 CA LEU A 30 11.707 -15.691 -1.765 1.00 0.00 C ATOM 436 C LEU A 30 11.422 -15.821 -0.267 1.00 0.00 C ATOM 437 O LEU A 30 12.316 -16.032 0.528 1.00 0.00 O ATOM 438 CB LEU A 30 11.656 -14.215 -2.166 1.00 0.00 C ATOM 439 CG LEU A 30 12.801 -13.462 -1.483 1.00 0.00 C ATOM 440 CD1 LEU A 30 14.132 -13.880 -2.112 1.00 0.00 C ATOM 441 CD2 LEU A 30 12.600 -11.957 -1.665 1.00 0.00 C ATOM 0 H LEU A 30 10.194 -15.915 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 30 12.696 -16.094 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.737 -14.118 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.698 -13.782 -1.878 1.00 0.00 H new ATOM 0 HG LEU A 30 12.811 -13.701 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 30 14.948 -13.345 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.274 -14.953 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 30 14.123 -13.641 -3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.415 -11.420 -1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 30 12.590 -11.717 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 30 11.652 -11.660 -1.217 1.00 0.00 H new ATOM 453 N ILE A 31 10.184 -15.695 0.124 1.00 0.00 N ATOM 454 CA ILE A 31 9.846 -15.809 1.571 1.00 0.00 C ATOM 455 C ILE A 31 10.518 -17.061 2.154 1.00 0.00 C ATOM 456 O ILE A 31 11.362 -16.969 3.022 1.00 0.00 O ATOM 457 CB ILE A 31 8.321 -15.892 1.732 1.00 0.00 C ATOM 458 CG1 ILE A 31 7.728 -14.484 1.656 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.966 -16.516 3.086 1.00 0.00 C ATOM 460 CD1 ILE A 31 6.278 -14.566 1.174 1.00 0.00 C ATOM 0 H ILE A 31 9.393 -15.518 -0.495 1.00 0.00 H new ATOM 0 HA ILE A 31 10.209 -14.933 2.109 1.00 0.00 H new ATOM 0 HB ILE A 31 7.912 -16.513 0.935 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.770 -14.007 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.314 -13.867 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.882 -16.570 3.189 1.00 0.00 H new ATOM 0 HG22 ILE A 31 8.386 -17.520 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.377 -15.903 3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 31 5.855 -13.563 1.120 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.248 -15.026 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.696 -15.168 1.872 1.00 0.00 H new ATOM 472 N PRO A 32 10.137 -18.251 1.662 1.00 0.00 N ATOM 473 CA PRO A 32 10.707 -19.520 2.135 1.00 0.00 C ATOM 474 C PRO A 32 12.175 -19.673 1.722 1.00 0.00 C ATOM 475 O PRO A 32 12.909 -20.461 2.286 1.00 0.00 O ATOM 476 CB PRO A 32 9.857 -20.579 1.433 1.00 0.00 C ATOM 477 CG PRO A 32 9.340 -19.892 0.215 1.00 0.00 C ATOM 478 CD PRO A 32 9.124 -18.459 0.612 1.00 0.00 C ATOM 0 HA PRO A 32 10.693 -19.594 3.222 1.00 0.00 H new ATOM 0 HB2 PRO A 32 10.450 -21.456 1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 32 9.043 -20.922 2.071 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.051 -19.967 -0.607 1.00 0.00 H new ATOM 0 HG3 PRO A 32 8.410 -20.348 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 32 9.269 -17.781 -0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.114 -18.291 0.986 1.00 0.00 H new ATOM 486 N LYS A 33 12.605 -18.930 0.740 1.00 0.00 N ATOM 487 CA LYS A 33 14.021 -19.036 0.289 1.00 0.00 C ATOM 488 C LYS A 33 14.951 -18.530 1.394 1.00 0.00 C ATOM 489 O LYS A 33 15.948 -19.148 1.711 1.00 0.00 O ATOM 490 CB LYS A 33 14.219 -18.190 -0.971 1.00 0.00 C ATOM 491 CG LYS A 33 15.627 -18.420 -1.524 1.00 0.00 C ATOM 492 CD LYS A 33 15.670 -19.756 -2.268 1.00 0.00 C ATOM 493 CE LYS A 33 17.031 -19.917 -2.949 1.00 0.00 C ATOM 494 NZ LYS A 33 17.466 -21.340 -2.860 1.00 0.00 N ATOM 0 H LYS A 33 12.037 -18.254 0.230 1.00 0.00 H new ATOM 0 HA LYS A 33 14.254 -20.078 0.069 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.474 -18.456 -1.721 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.076 -17.135 -0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 33 15.902 -17.608 -2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.353 -18.421 -0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.500 -20.578 -1.572 1.00 0.00 H new ATOM 0 HD3 LYS A 33 14.873 -19.797 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.966 -19.610 -3.993 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.767 -19.270 -2.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.391 -21.450 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.544 -21.617 -1.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.767 -21.947 -3.334 1.00 0.00 H new ATOM 508 N ILE A 34 14.636 -17.408 1.981 1.00 0.00 N ATOM 509 CA ILE A 34 15.505 -16.863 3.062 1.00 0.00 C ATOM 510 C ILE A 34 15.346 -17.712 4.324 1.00 0.00 C ATOM 511 O ILE A 34 16.291 -17.940 5.053 1.00 0.00 O ATOM 512 CB ILE A 34 15.100 -15.419 3.362 1.00 0.00 C ATOM 513 CG1 ILE A 34 15.269 -14.568 2.101 1.00 0.00 C ATOM 514 CG2 ILE A 34 15.989 -14.862 4.475 1.00 0.00 C ATOM 515 CD1 ILE A 34 14.906 -13.115 2.412 1.00 0.00 C ATOM 0 H ILE A 34 13.815 -16.845 1.759 1.00 0.00 H new ATOM 0 HA ILE A 34 16.546 -16.888 2.738 1.00 0.00 H new ATOM 0 HB ILE A 34 14.058 -15.393 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.297 -14.628 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 34 14.632 -14.950 1.304 1.00 0.00 H new ATOM 0 HG21 ILE A 34 15.701 -13.833 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 34 15.869 -15.467 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.031 -14.888 4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.027 -12.510 1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 34 13.871 -13.063 2.749 1.00 0.00 H new ATOM 0 HD13 ILE A 34 15.562 -12.736 3.196 1.00 0.00 H new ATOM 527 N ALA A 35 14.158 -18.182 4.591 1.00 0.00 N ATOM 528 CA ALA A 35 13.944 -19.015 5.809 1.00 0.00 C ATOM 529 C ALA A 35 13.154 -20.272 5.436 1.00 0.00 C ATOM 530 O ALA A 35 12.006 -20.423 5.799 1.00 0.00 O ATOM 531 CB ALA A 35 13.160 -18.209 6.846 1.00 0.00 C ATOM 0 H ALA A 35 13.328 -18.026 4.020 1.00 0.00 H new ATOM 0 HA ALA A 35 14.909 -19.303 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 35 13.003 -18.817 7.737 1.00 0.00 H new ATOM 0 HB2 ALA A 35 13.722 -17.314 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 12.195 -17.921 6.429 1.00 0.00 H new ATOM 537 N PRO A 36 13.791 -21.190 4.695 1.00 0.00 N ATOM 538 CA PRO A 36 13.154 -22.441 4.267 1.00 0.00 C ATOM 539 C PRO A 36 12.949 -23.401 5.442 1.00 0.00 C ATOM 540 O PRO A 36 11.985 -24.140 5.492 1.00 0.00 O ATOM 541 CB PRO A 36 14.157 -23.035 3.278 1.00 0.00 C ATOM 542 CG PRO A 36 15.471 -22.453 3.679 1.00 0.00 C ATOM 543 CD PRO A 36 15.180 -21.079 4.217 1.00 0.00 C ATOM 0 HA PRO A 36 12.165 -22.272 3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.172 -24.123 3.334 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.904 -22.772 2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.955 -23.071 4.435 1.00 0.00 H new ATOM 0 HG3 PRO A 36 16.149 -22.401 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.863 -20.810 5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 36 15.280 -20.315 3.446 1.00 0.00 H new ATOM 551 N GLN A 37 13.847 -23.395 6.389 1.00 0.00 N ATOM 552 CA GLN A 37 13.703 -24.305 7.559 1.00 0.00 C ATOM 553 C GLN A 37 12.622 -23.759 8.496 1.00 0.00 C ATOM 554 O GLN A 37 11.983 -24.498 9.218 1.00 0.00 O ATOM 555 CB GLN A 37 15.033 -24.387 8.308 1.00 0.00 C ATOM 556 CG GLN A 37 16.084 -25.045 7.411 1.00 0.00 C ATOM 557 CD GLN A 37 17.438 -25.042 8.124 1.00 0.00 C ATOM 558 OE1 GLN A 37 17.637 -24.309 9.073 1.00 0.00 O ATOM 559 NE2 GLN A 37 18.384 -25.836 7.704 1.00 0.00 N ATOM 0 H GLN A 37 14.674 -22.799 6.402 1.00 0.00 H new ATOM 0 HA GLN A 37 13.419 -25.300 7.215 1.00 0.00 H new ATOM 0 HB2 GLN A 37 15.361 -23.389 8.599 1.00 0.00 H new ATOM 0 HB3 GLN A 37 14.911 -24.962 9.226 1.00 0.00 H new ATOM 0 HG2 GLN A 37 15.788 -26.067 7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 37 16.158 -24.508 6.465 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.217 -26.451 6.908 1.00 0.00 H new ATOM 0 HE22 GLN A 37 19.290 -25.842 8.172 1.00 0.00 H new ATOM 568 N ALA A 38 12.414 -22.471 8.488 1.00 0.00 N ATOM 569 CA ALA A 38 11.375 -21.880 9.378 1.00 0.00 C ATOM 570 C ALA A 38 10.011 -22.483 9.038 1.00 0.00 C ATOM 571 O ALA A 38 9.237 -22.824 9.909 1.00 0.00 O ATOM 572 CB ALA A 38 11.328 -20.365 9.171 1.00 0.00 C ATOM 0 H ALA A 38 12.918 -21.803 7.905 1.00 0.00 H new ATOM 0 HA ALA A 38 11.620 -22.097 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.568 -19.932 9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.300 -19.935 9.412 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.082 -20.147 8.132 1.00 0.00 H new ATOM 578 N VAL A 39 9.712 -22.619 7.775 1.00 0.00 N ATOM 579 CA VAL A 39 8.399 -23.202 7.379 1.00 0.00 C ATOM 580 C VAL A 39 8.631 -24.362 6.410 1.00 0.00 C ATOM 581 O VAL A 39 9.677 -24.475 5.801 1.00 0.00 O ATOM 582 CB VAL A 39 7.550 -22.129 6.694 1.00 0.00 C ATOM 583 CG1 VAL A 39 7.432 -20.910 7.611 1.00 0.00 C ATOM 584 CG2 VAL A 39 8.212 -21.716 5.380 1.00 0.00 C ATOM 0 H VAL A 39 10.320 -22.352 7.001 1.00 0.00 H new ATOM 0 HA VAL A 39 7.879 -23.565 8.266 1.00 0.00 H new ATOM 0 HB VAL A 39 6.556 -22.528 6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.827 -20.145 7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.959 -21.204 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.426 -20.511 7.816 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.607 -20.952 4.892 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.206 -21.317 5.583 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.296 -22.584 4.726 1.00 0.00 H new ATOM 594 N LYS A 40 7.665 -25.227 6.261 1.00 0.00 N ATOM 595 CA LYS A 40 7.835 -26.378 5.330 1.00 0.00 C ATOM 596 C LYS A 40 7.781 -25.878 3.886 1.00 0.00 C ATOM 597 O LYS A 40 8.640 -26.181 3.082 1.00 0.00 O ATOM 598 CB LYS A 40 6.712 -27.392 5.562 1.00 0.00 C ATOM 599 CG LYS A 40 6.989 -28.654 4.743 1.00 0.00 C ATOM 600 CD LYS A 40 5.952 -29.725 5.086 1.00 0.00 C ATOM 601 CE LYS A 40 4.602 -29.344 4.473 1.00 0.00 C ATOM 602 NZ LYS A 40 3.811 -30.578 4.209 1.00 0.00 N ATOM 0 H LYS A 40 6.767 -25.186 6.743 1.00 0.00 H new ATOM 0 HA LYS A 40 8.798 -26.855 5.513 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.644 -27.640 6.621 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.753 -26.961 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.951 -28.424 3.678 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.992 -29.024 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.275 -30.694 4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.858 -29.822 6.168 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.056 -28.687 5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.754 -28.791 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.894 -30.320 3.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.332 -31.189 3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.655 -31.088 5.102 1.00 0.00 H new ATOM 616 N CYS A 41 6.778 -25.113 3.549 1.00 0.00 N ATOM 617 CA CYS A 41 6.672 -24.594 2.156 1.00 0.00 C ATOM 618 C CYS A 41 5.394 -23.763 2.018 1.00 0.00 C ATOM 619 O CYS A 41 4.326 -24.175 2.427 1.00 0.00 O ATOM 620 CB CYS A 41 6.625 -25.768 1.177 1.00 0.00 C ATOM 621 SG CYS A 41 8.163 -25.824 0.225 1.00 0.00 S ATOM 0 H CYS A 41 6.028 -24.825 4.178 1.00 0.00 H new ATOM 0 HA CYS A 41 7.537 -23.970 1.933 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.487 -26.703 1.720 1.00 0.00 H new ATOM 0 HB3 CYS A 41 5.773 -25.661 0.505 1.00 0.00 H new ATOM 0 HG CYS A 41 9.166 -26.012 1.031 1.00 0.00 H new ATOM 627 N ALA A 42 5.493 -22.595 1.444 1.00 0.00 N ATOM 628 CA ALA A 42 4.284 -21.740 1.281 1.00 0.00 C ATOM 629 C ALA A 42 3.576 -22.099 -0.027 1.00 0.00 C ATOM 630 O ALA A 42 4.157 -22.051 -1.093 1.00 0.00 O ATOM 631 CB ALA A 42 4.700 -20.268 1.246 1.00 0.00 C ATOM 0 H ALA A 42 6.359 -22.196 1.081 1.00 0.00 H new ATOM 0 HA ALA A 42 3.607 -21.907 2.119 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.815 -19.643 1.127 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.204 -20.010 2.178 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.378 -20.101 0.409 1.00 0.00 H new ATOM 637 N GLU A 43 2.323 -22.459 0.046 1.00 0.00 N ATOM 638 CA GLU A 43 1.579 -22.820 -1.193 1.00 0.00 C ATOM 639 C GLU A 43 0.359 -21.906 -1.337 1.00 0.00 C ATOM 640 O GLU A 43 -0.259 -21.523 -0.364 1.00 0.00 O ATOM 641 CB GLU A 43 1.118 -24.277 -1.106 1.00 0.00 C ATOM 642 CG GLU A 43 2.334 -25.189 -0.936 1.00 0.00 C ATOM 643 CD GLU A 43 3.265 -25.029 -2.140 1.00 0.00 C ATOM 644 OE1 GLU A 43 2.820 -24.493 -3.140 1.00 0.00 O ATOM 645 OE2 GLU A 43 4.407 -25.448 -2.040 1.00 0.00 O ATOM 0 H GLU A 43 1.784 -22.518 0.910 1.00 0.00 H new ATOM 0 HA GLU A 43 2.231 -22.697 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.435 -24.404 -0.266 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.569 -24.550 -2.007 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.864 -24.938 -0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.014 -26.227 -0.846 1.00 0.00 H new ATOM 652 N ILE A 44 0.009 -21.553 -2.544 1.00 0.00 N ATOM 653 CA ILE A 44 -1.170 -20.663 -2.747 1.00 0.00 C ATOM 654 C ILE A 44 -2.346 -21.487 -3.274 1.00 0.00 C ATOM 655 O ILE A 44 -2.273 -22.087 -4.328 1.00 0.00 O ATOM 656 CB ILE A 44 -0.817 -19.572 -3.760 1.00 0.00 C ATOM 657 CG1 ILE A 44 0.436 -18.827 -3.295 1.00 0.00 C ATOM 658 CG2 ILE A 44 -1.982 -18.587 -3.875 1.00 0.00 C ATOM 659 CD1 ILE A 44 0.850 -17.809 -4.359 1.00 0.00 C ATOM 0 H ILE A 44 0.488 -21.842 -3.397 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.445 -20.202 -1.798 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.628 -20.028 -4.732 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.241 -18.321 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.247 -19.533 -3.118 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.731 -17.809 -4.597 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.875 -19.117 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.171 -18.132 -2.903 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.743 -17.279 -4.027 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.062 -18.326 -5.295 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.041 -17.096 -4.514 1.00 0.00 H new ATOM 671 N LEU A 45 -3.431 -21.522 -2.549 1.00 0.00 N ATOM 672 CA LEU A 45 -4.610 -22.306 -3.011 1.00 0.00 C ATOM 673 C LEU A 45 -5.161 -21.688 -4.298 1.00 0.00 C ATOM 674 O LEU A 45 -5.477 -22.382 -5.244 1.00 0.00 O ATOM 675 CB LEU A 45 -5.692 -22.283 -1.928 1.00 0.00 C ATOM 676 CG LEU A 45 -6.854 -23.185 -2.349 1.00 0.00 C ATOM 677 CD1 LEU A 45 -6.422 -24.650 -2.256 1.00 0.00 C ATOM 678 CD2 LEU A 45 -8.048 -22.946 -1.421 1.00 0.00 C ATOM 0 H LEU A 45 -3.551 -21.042 -1.657 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.310 -23.336 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.279 -22.624 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -6.046 -21.264 -1.774 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.139 -22.954 -3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.249 -25.293 -2.556 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.572 -24.821 -2.916 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.137 -24.881 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.876 -23.588 -1.721 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.763 -23.177 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.356 -21.903 -1.486 1.00 0.00 H new ATOM 690 N GLU A 46 -5.275 -20.389 -4.343 1.00 0.00 N ATOM 691 CA GLU A 46 -5.802 -19.729 -5.571 1.00 0.00 C ATOM 692 C GLU A 46 -5.321 -18.278 -5.617 1.00 0.00 C ATOM 693 O GLU A 46 -5.082 -17.660 -4.599 1.00 0.00 O ATOM 694 CB GLU A 46 -7.332 -19.757 -5.550 1.00 0.00 C ATOM 695 CG GLU A 46 -7.819 -21.200 -5.698 1.00 0.00 C ATOM 696 CD GLU A 46 -7.287 -21.785 -7.008 1.00 0.00 C ATOM 697 OE1 GLU A 46 -6.901 -21.010 -7.867 1.00 0.00 O ATOM 698 OE2 GLU A 46 -7.274 -22.999 -7.130 1.00 0.00 O ATOM 0 H GLU A 46 -5.026 -19.756 -3.583 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.441 -20.261 -6.451 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.701 -19.331 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.729 -19.144 -6.359 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.477 -21.799 -4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.909 -21.230 -5.690 1.00 0.00 H new ATOM 705 N GLY A 47 -5.178 -17.727 -6.792 1.00 0.00 N ATOM 706 CA GLY A 47 -4.714 -16.315 -6.901 1.00 0.00 C ATOM 707 C GLY A 47 -3.287 -16.288 -7.452 1.00 0.00 C ATOM 708 O GLY A 47 -2.953 -15.483 -8.298 1.00 0.00 O ATOM 0 H GLY A 47 -5.362 -18.193 -7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.379 -15.752 -7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.747 -15.834 -5.924 1.00 0.00 H new ATOM 712 N ASP A 48 -2.441 -17.162 -6.977 1.00 0.00 N ATOM 713 CA ASP A 48 -1.036 -17.187 -7.472 1.00 0.00 C ATOM 714 C ASP A 48 -0.356 -15.856 -7.146 1.00 0.00 C ATOM 715 O ASP A 48 0.410 -15.330 -7.931 1.00 0.00 O ATOM 716 CB ASP A 48 -1.032 -17.407 -8.986 1.00 0.00 C ATOM 717 CG ASP A 48 -1.552 -18.812 -9.299 1.00 0.00 C ATOM 718 OD1 ASP A 48 -1.685 -19.593 -8.372 1.00 0.00 O ATOM 719 OD2 ASP A 48 -1.809 -19.081 -10.461 1.00 0.00 O ATOM 0 H ASP A 48 -2.663 -17.860 -6.267 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.494 -17.999 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -1.657 -16.659 -9.474 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.023 -17.285 -9.379 1.00 0.00 H new ATOM 724 N GLY A 49 -0.628 -15.306 -5.994 1.00 0.00 N ATOM 725 CA GLY A 49 0.006 -14.011 -5.619 1.00 0.00 C ATOM 726 C GLY A 49 -0.794 -12.854 -6.224 1.00 0.00 C ATOM 727 O GLY A 49 -0.243 -11.847 -6.619 1.00 0.00 O ATOM 0 H GLY A 49 -1.261 -15.697 -5.297 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.043 -13.913 -4.534 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.035 -13.981 -5.977 1.00 0.00 H new ATOM 731 N GLY A 50 -2.090 -12.992 -6.300 1.00 0.00 N ATOM 732 CA GLY A 50 -2.921 -11.898 -6.880 1.00 0.00 C ATOM 733 C GLY A 50 -3.897 -11.382 -5.822 1.00 0.00 C ATOM 734 O GLY A 50 -3.770 -11.678 -4.650 1.00 0.00 O ATOM 0 H GLY A 50 -2.608 -13.813 -5.986 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.282 -11.086 -7.227 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.469 -12.265 -7.748 1.00 0.00 H new ATOM 738 N PRO A 51 -4.892 -10.590 -6.249 1.00 0.00 N ATOM 739 CA PRO A 51 -5.900 -10.024 -5.343 1.00 0.00 C ATOM 740 C PRO A 51 -6.848 -11.098 -4.805 1.00 0.00 C ATOM 741 O PRO A 51 -7.395 -11.888 -5.549 1.00 0.00 O ATOM 742 CB PRO A 51 -6.669 -9.046 -6.232 1.00 0.00 C ATOM 743 CG PRO A 51 -6.482 -9.568 -7.616 1.00 0.00 C ATOM 744 CD PRO A 51 -5.114 -10.188 -7.649 1.00 0.00 C ATOM 0 HA PRO A 51 -5.448 -9.560 -4.466 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.724 -9.010 -5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.280 -8.032 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.248 -10.303 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.563 -8.765 -8.349 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.076 -11.043 -8.324 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.359 -9.479 -7.989 1.00 0.00 H new ATOM 752 N GLY A 52 -7.048 -11.134 -3.516 1.00 0.00 N ATOM 753 CA GLY A 52 -7.959 -12.157 -2.930 1.00 0.00 C ATOM 754 C GLY A 52 -7.308 -13.538 -3.036 1.00 0.00 C ATOM 755 O GLY A 52 -7.978 -14.552 -3.050 1.00 0.00 O ATOM 0 H GLY A 52 -6.619 -10.499 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.167 -11.920 -1.887 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.915 -12.152 -3.454 1.00 0.00 H new ATOM 759 N THR A 53 -6.007 -13.586 -3.111 1.00 0.00 N ATOM 760 CA THR A 53 -5.314 -14.901 -3.215 1.00 0.00 C ATOM 761 C THR A 53 -5.223 -15.542 -1.829 1.00 0.00 C ATOM 762 O THR A 53 -5.063 -14.867 -0.832 1.00 0.00 O ATOM 763 CB THR A 53 -3.904 -14.692 -3.774 1.00 0.00 C ATOM 764 OG1 THR A 53 -3.989 -14.089 -5.057 1.00 0.00 O ATOM 765 CG2 THR A 53 -3.192 -16.040 -3.886 1.00 0.00 C ATOM 0 H THR A 53 -5.393 -12.771 -3.105 1.00 0.00 H new ATOM 0 HA THR A 53 -5.876 -15.555 -3.881 1.00 0.00 H new ATOM 0 HB THR A 53 -3.340 -14.042 -3.105 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.931 -13.976 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.189 -15.889 -4.284 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.126 -16.500 -2.900 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.753 -16.693 -4.554 1.00 0.00 H new ATOM 773 N ILE A 54 -5.320 -16.842 -1.758 1.00 0.00 N ATOM 774 CA ILE A 54 -5.236 -17.524 -0.436 1.00 0.00 C ATOM 775 C ILE A 54 -3.899 -18.257 -0.329 1.00 0.00 C ATOM 776 O ILE A 54 -3.486 -18.951 -1.237 1.00 0.00 O ATOM 777 CB ILE A 54 -6.381 -18.530 -0.306 1.00 0.00 C ATOM 778 CG1 ILE A 54 -7.717 -17.820 -0.538 1.00 0.00 C ATOM 779 CG2 ILE A 54 -6.366 -19.139 1.099 1.00 0.00 C ATOM 780 CD1 ILE A 54 -8.849 -18.848 -0.531 1.00 0.00 C ATOM 0 H ILE A 54 -5.454 -17.460 -2.558 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.312 -16.784 0.361 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.256 -19.319 -1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.884 -17.074 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -7.699 -17.290 -1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.181 -19.856 1.193 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.416 -19.646 1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.490 -18.349 1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.801 -18.343 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.683 -19.577 -1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.871 -19.358 0.432 1.00 0.00 H new ATOM 792 N LYS A 55 -3.216 -18.108 0.773 1.00 0.00 N ATOM 793 CA LYS A 55 -1.904 -18.798 0.935 1.00 0.00 C ATOM 794 C LYS A 55 -1.952 -19.713 2.159 1.00 0.00 C ATOM 795 O LYS A 55 -2.672 -19.464 3.106 1.00 0.00 O ATOM 796 CB LYS A 55 -0.801 -17.754 1.122 1.00 0.00 C ATOM 797 CG LYS A 55 -0.773 -16.818 -0.088 1.00 0.00 C ATOM 798 CD LYS A 55 0.415 -15.860 0.036 1.00 0.00 C ATOM 799 CE LYS A 55 0.404 -14.881 -1.140 1.00 0.00 C ATOM 800 NZ LYS A 55 1.800 -14.665 -1.618 1.00 0.00 N ATOM 0 H LYS A 55 -3.509 -17.539 1.567 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.696 -19.394 0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.977 -17.182 2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.165 -18.246 1.237 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.692 -17.397 -1.008 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.704 -16.254 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.359 -15.314 0.978 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.349 -16.421 0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.212 -15.274 -1.949 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.038 -13.933 -0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.866 -13.740 -2.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.452 -14.688 -0.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.057 -15.416 -2.291 1.00 0.00 H new ATOM 814 N LYS A 56 -1.188 -20.770 2.150 1.00 0.00 N ATOM 815 CA LYS A 56 -1.184 -21.700 3.315 1.00 0.00 C ATOM 816 C LYS A 56 0.260 -22.048 3.681 1.00 0.00 C ATOM 817 O LYS A 56 1.003 -22.581 2.880 1.00 0.00 O ATOM 818 CB LYS A 56 -1.940 -22.980 2.950 1.00 0.00 C ATOM 819 CG LYS A 56 -2.061 -23.870 4.190 1.00 0.00 C ATOM 820 CD LYS A 56 -2.714 -25.198 3.803 1.00 0.00 C ATOM 821 CE LYS A 56 -2.946 -26.038 5.061 1.00 0.00 C ATOM 822 NZ LYS A 56 -3.821 -27.198 4.730 1.00 0.00 N ATOM 0 H LYS A 56 -0.565 -21.031 1.385 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.671 -21.221 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.931 -22.734 2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.415 -23.512 2.157 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.075 -24.049 4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.656 -23.369 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.661 -25.015 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -2.076 -25.739 3.104 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.993 -26.389 5.458 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.409 -25.429 5.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -3.979 -27.769 5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.734 -26.853 4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.362 -27.783 4.003 1.00 0.00 H new ATOM 836 N ILE A 57 0.667 -21.750 4.884 1.00 0.00 N ATOM 837 CA ILE A 57 2.064 -22.063 5.295 1.00 0.00 C ATOM 838 C ILE A 57 2.046 -23.057 6.458 1.00 0.00 C ATOM 839 O ILE A 57 1.299 -22.907 7.405 1.00 0.00 O ATOM 840 CB ILE A 57 2.766 -20.776 5.736 1.00 0.00 C ATOM 841 CG1 ILE A 57 2.578 -19.699 4.666 1.00 0.00 C ATOM 842 CG2 ILE A 57 4.260 -21.050 5.926 1.00 0.00 C ATOM 843 CD1 ILE A 57 2.551 -18.321 5.331 1.00 0.00 C ATOM 0 H ILE A 57 0.093 -21.304 5.599 1.00 0.00 H new ATOM 0 HA ILE A 57 2.600 -22.501 4.453 1.00 0.00 H new ATOM 0 HB ILE A 57 2.336 -20.432 6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.388 -19.748 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.650 -19.870 4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.761 -20.134 6.240 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.395 -21.817 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.689 -21.394 4.985 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.417 -17.552 4.570 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.726 -18.276 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.491 -18.152 5.856 1.00 0.00 H new ATOM 855 N THR A 58 2.864 -24.072 6.395 1.00 0.00 N ATOM 856 CA THR A 58 2.896 -25.074 7.496 1.00 0.00 C ATOM 857 C THR A 58 4.240 -24.990 8.222 1.00 0.00 C ATOM 858 O THR A 58 5.278 -24.836 7.610 1.00 0.00 O ATOM 859 CB THR A 58 2.718 -26.479 6.914 1.00 0.00 C ATOM 860 OG1 THR A 58 3.887 -26.842 6.192 1.00 0.00 O ATOM 861 CG2 THR A 58 1.510 -26.495 5.975 1.00 0.00 C ATOM 0 H THR A 58 3.512 -24.250 5.628 1.00 0.00 H new ATOM 0 HA THR A 58 2.089 -24.867 8.199 1.00 0.00 H new ATOM 0 HB THR A 58 2.555 -27.190 7.724 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.801 -26.549 5.261 1.00 0.00 H new ATOM 0 HG21 THR A 58 1.384 -27.495 5.561 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.614 -26.216 6.530 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.670 -25.784 5.164 1.00 0.00 H new ATOM 869 N PHE A 59 4.229 -25.087 9.524 1.00 0.00 N ATOM 870 CA PHE A 59 5.506 -25.009 10.287 1.00 0.00 C ATOM 871 C PHE A 59 5.867 -26.396 10.825 1.00 0.00 C ATOM 872 O PHE A 59 5.009 -27.161 11.221 1.00 0.00 O ATOM 873 CB PHE A 59 5.344 -24.036 11.456 1.00 0.00 C ATOM 874 CG PHE A 59 5.097 -22.645 10.922 1.00 0.00 C ATOM 875 CD1 PHE A 59 6.175 -21.856 10.502 1.00 0.00 C ATOM 876 CD2 PHE A 59 3.792 -22.145 10.847 1.00 0.00 C ATOM 877 CE1 PHE A 59 5.946 -20.567 10.005 1.00 0.00 C ATOM 878 CE2 PHE A 59 3.564 -20.856 10.351 1.00 0.00 C ATOM 879 CZ PHE A 59 4.640 -20.066 9.931 1.00 0.00 C ATOM 0 H PHE A 59 3.391 -25.217 10.091 1.00 0.00 H new ATOM 0 HA PHE A 59 6.300 -24.657 9.628 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.513 -24.347 12.089 1.00 0.00 H new ATOM 0 HB3 PHE A 59 6.239 -24.045 12.077 1.00 0.00 H new ATOM 0 HD1 PHE A 59 7.182 -22.241 10.561 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.961 -22.754 11.172 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.777 -19.959 9.679 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.557 -20.471 10.292 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.464 -19.071 9.550 1.00 0.00 H new ATOM 974 N TYR A 67 0.549 -23.896 11.774 1.00 0.00 N ATOM 975 CA TYR A 67 0.495 -23.412 10.365 1.00 0.00 C ATOM 976 C TYR A 67 -0.346 -22.135 10.293 1.00 0.00 C ATOM 977 O TYR A 67 -1.328 -21.986 10.993 1.00 0.00 O ATOM 978 CB TYR A 67 -0.138 -24.488 9.481 1.00 0.00 C ATOM 979 CG TYR A 67 -1.608 -24.604 9.805 1.00 0.00 C ATOM 980 CD1 TYR A 67 -2.029 -25.405 10.873 1.00 0.00 C ATOM 981 CD2 TYR A 67 -2.551 -23.909 9.038 1.00 0.00 C ATOM 982 CE1 TYR A 67 -3.392 -25.511 11.174 1.00 0.00 C ATOM 983 CE2 TYR A 67 -3.914 -24.015 9.338 1.00 0.00 C ATOM 984 CZ TYR A 67 -4.334 -24.817 10.406 1.00 0.00 C ATOM 985 OH TYR A 67 -5.679 -24.921 10.702 1.00 0.00 O ATOM 0 HA TYR A 67 1.506 -23.201 10.016 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -0.005 -24.234 8.429 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.358 -25.445 9.643 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.302 -25.941 11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.226 -23.291 8.214 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.717 -26.128 11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.641 -23.479 8.746 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.196 -24.375 10.073 1.00 0.00 H new ATOM 995 N VAL A 68 0.030 -21.217 9.447 1.00 0.00 N ATOM 996 CA VAL A 68 -0.744 -19.952 9.320 1.00 0.00 C ATOM 997 C VAL A 68 -1.036 -19.684 7.842 1.00 0.00 C ATOM 998 O VAL A 68 -0.254 -20.021 6.976 1.00 0.00 O ATOM 999 CB VAL A 68 0.067 -18.791 9.907 1.00 0.00 C ATOM 1000 CG1 VAL A 68 0.669 -19.213 11.250 1.00 0.00 C ATOM 1001 CG2 VAL A 68 1.195 -18.411 8.945 1.00 0.00 C ATOM 0 H VAL A 68 0.843 -21.289 8.836 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.684 -20.042 9.865 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.590 -17.934 10.054 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.245 -18.387 11.666 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -0.132 -19.481 11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.323 -20.073 11.102 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.769 -17.585 9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.850 -19.269 8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.770 -18.107 7.988 1.00 0.00 H new ATOM 1011 N LYS A 69 -2.156 -19.087 7.544 1.00 0.00 N ATOM 1012 CA LYS A 69 -2.493 -18.806 6.121 1.00 0.00 C ATOM 1013 C LYS A 69 -2.413 -17.300 5.861 1.00 0.00 C ATOM 1014 O LYS A 69 -2.713 -16.494 6.719 1.00 0.00 O ATOM 1015 CB LYS A 69 -3.909 -19.301 5.824 1.00 0.00 C ATOM 1016 CG LYS A 69 -3.963 -20.822 5.993 1.00 0.00 C ATOM 1017 CD LYS A 69 -5.343 -21.335 5.578 1.00 0.00 C ATOM 1018 CE LYS A 69 -5.443 -22.831 5.884 1.00 0.00 C ATOM 1019 NZ LYS A 69 -6.756 -23.120 6.526 1.00 0.00 N ATOM 0 H LYS A 69 -2.852 -18.782 8.224 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.784 -19.322 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.621 -18.824 6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.196 -19.027 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.191 -21.293 5.385 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.761 -21.090 7.030 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.121 -20.791 6.113 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.504 -21.159 4.514 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.340 -23.409 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.629 -23.133 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.824 -24.137 6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -6.836 -22.579 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.525 -22.846 5.882 1.00 0.00 H new ATOM 1033 N HIS A 70 -2.012 -16.915 4.679 1.00 0.00 N ATOM 1034 CA HIS A 70 -1.916 -15.464 4.360 1.00 0.00 C ATOM 1035 C HIS A 70 -2.884 -15.128 3.224 1.00 0.00 C ATOM 1036 O HIS A 70 -3.147 -15.940 2.361 1.00 0.00 O ATOM 1037 CB HIS A 70 -0.487 -15.130 3.923 1.00 0.00 C ATOM 1038 CG HIS A 70 0.428 -15.166 5.116 1.00 0.00 C ATOM 1039 ND1 HIS A 70 0.739 -16.346 5.774 1.00 0.00 N ATOM 1040 CD2 HIS A 70 1.110 -14.176 5.779 1.00 0.00 C ATOM 1041 CE1 HIS A 70 1.574 -16.038 6.784 1.00 0.00 C ATOM 1042 NE2 HIS A 70 1.833 -14.729 6.833 1.00 0.00 N ATOM 0 H HIS A 70 -1.747 -17.544 3.921 1.00 0.00 H new ATOM 0 HA HIS A 70 -2.172 -14.881 5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.150 -15.844 3.172 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.459 -14.143 3.460 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.089 -13.127 5.522 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.985 -16.762 7.472 1.00 0.00 H new ATOM 0 HE2 HIS A 70 2.431 -14.240 7.499 1.00 0.00 H new ATOM 1050 N LYS A 71 -3.416 -13.936 3.216 1.00 0.00 N ATOM 1051 CA LYS A 71 -4.365 -13.552 2.134 1.00 0.00 C ATOM 1052 C LYS A 71 -3.938 -12.212 1.532 1.00 0.00 C ATOM 1053 O LYS A 71 -3.501 -11.319 2.230 1.00 0.00 O ATOM 1054 CB LYS A 71 -5.776 -13.425 2.712 1.00 0.00 C ATOM 1055 CG LYS A 71 -6.769 -13.170 1.576 1.00 0.00 C ATOM 1056 CD LYS A 71 -8.162 -12.924 2.161 1.00 0.00 C ATOM 1057 CE LYS A 71 -9.183 -12.829 1.024 1.00 0.00 C ATOM 1058 NZ LYS A 71 -9.338 -11.406 0.613 1.00 0.00 N ATOM 0 H LYS A 71 -3.234 -13.212 3.912 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.358 -14.318 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.045 -14.336 3.247 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.814 -12.608 3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.452 -12.308 0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.792 -14.025 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.431 -13.733 2.839 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.166 -12.004 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.855 -13.430 0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.143 -13.232 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.031 -11.341 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.669 -10.845 1.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.422 -11.037 0.287 1.00 0.00 H new ATOM 1072 N ILE A 72 -4.061 -12.065 0.240 1.00 0.00 N ATOM 1073 CA ILE A 72 -3.663 -10.783 -0.404 1.00 0.00 C ATOM 1074 C ILE A 72 -4.910 -9.936 -0.668 1.00 0.00 C ATOM 1075 O ILE A 72 -5.916 -10.427 -1.140 1.00 0.00 O ATOM 1076 CB ILE A 72 -2.955 -11.076 -1.729 1.00 0.00 C ATOM 1077 CG1 ILE A 72 -1.800 -12.050 -1.488 1.00 0.00 C ATOM 1078 CG2 ILE A 72 -2.408 -9.772 -2.315 1.00 0.00 C ATOM 1079 CD1 ILE A 72 -1.148 -12.409 -2.826 1.00 0.00 C ATOM 0 H ILE A 72 -4.420 -12.778 -0.396 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.988 -10.239 0.256 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.664 -11.520 -2.428 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.064 -11.600 -0.822 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.167 -12.951 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.904 -9.980 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -3.230 -9.078 -2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.700 -9.328 -1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.325 -13.103 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.887 -12.876 -3.477 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.767 -11.504 -3.300 1.00 0.00 H new ATOM 1091 N HIS A 73 -4.854 -8.669 -0.365 1.00 0.00 N ATOM 1092 CA HIS A 73 -6.037 -7.792 -0.598 1.00 0.00 C ATOM 1093 C HIS A 73 -5.976 -7.216 -2.013 1.00 0.00 C ATOM 1094 O HIS A 73 -6.940 -7.252 -2.751 1.00 0.00 O ATOM 1095 CB HIS A 73 -6.032 -6.649 0.418 1.00 0.00 C ATOM 1096 CG HIS A 73 -6.359 -7.190 1.783 1.00 0.00 C ATOM 1097 ND1 HIS A 73 -7.637 -7.602 2.125 1.00 0.00 N ATOM 1098 CD2 HIS A 73 -5.588 -7.391 2.900 1.00 0.00 C ATOM 1099 CE1 HIS A 73 -7.597 -8.027 3.401 1.00 0.00 C ATOM 1100 NE2 HIS A 73 -6.371 -7.920 3.922 1.00 0.00 N ATOM 0 H HIS A 73 -4.040 -8.202 0.034 1.00 0.00 H new ATOM 0 HA HIS A 73 -6.950 -8.377 -0.484 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.056 -6.164 0.431 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.760 -5.890 0.132 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -8.458 -7.586 1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.533 -7.172 2.975 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.452 -8.408 3.939 1.00 0.00 H new ATOM 1108 N SER A 74 -4.848 -6.684 -2.398 1.00 0.00 N ATOM 1109 CA SER A 74 -4.726 -6.105 -3.766 1.00 0.00 C ATOM 1110 C SER A 74 -3.250 -5.872 -4.091 1.00 0.00 C ATOM 1111 O SER A 74 -2.430 -5.700 -3.210 1.00 0.00 O ATOM 1112 CB SER A 74 -5.478 -4.774 -3.824 1.00 0.00 C ATOM 1113 OG SER A 74 -4.770 -3.797 -3.076 1.00 0.00 O ATOM 0 H SER A 74 -4.006 -6.625 -1.825 1.00 0.00 H new ATOM 0 HA SER A 74 -5.153 -6.796 -4.493 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.584 -4.449 -4.859 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.484 -4.895 -3.423 1.00 0.00 H new ATOM 0 HG SER A 74 -5.251 -2.944 -3.114 1.00 0.00 H new ATOM 1119 N ILE A 75 -2.904 -5.866 -5.349 1.00 0.00 N ATOM 1120 CA ILE A 75 -1.480 -5.646 -5.729 1.00 0.00 C ATOM 1121 C ILE A 75 -1.396 -4.531 -6.772 1.00 0.00 C ATOM 1122 O ILE A 75 -2.263 -4.387 -7.612 1.00 0.00 O ATOM 1123 CB ILE A 75 -0.904 -6.937 -6.315 1.00 0.00 C ATOM 1124 CG1 ILE A 75 -1.553 -7.214 -7.673 1.00 0.00 C ATOM 1125 CG2 ILE A 75 -1.192 -8.101 -5.366 1.00 0.00 C ATOM 1126 CD1 ILE A 75 -0.868 -8.414 -8.329 1.00 0.00 C ATOM 0 H ILE A 75 -3.546 -6.004 -6.130 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.908 -5.360 -4.846 1.00 0.00 H new ATOM 0 HB ILE A 75 0.173 -6.830 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.617 -7.414 -7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.468 -6.337 -8.315 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.782 -9.021 -5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.731 -7.904 -4.398 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.269 -8.209 -5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.329 -8.612 -9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.191 -8.196 -8.470 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.977 -9.290 -7.689 1.00 0.00 H new ATOM 1138 N ASP A 76 -0.359 -3.741 -6.729 1.00 0.00 N ATOM 1139 CA ASP A 76 -0.221 -2.636 -7.719 1.00 0.00 C ATOM 1140 C ASP A 76 1.178 -2.676 -8.335 1.00 0.00 C ATOM 1141 O ASP A 76 2.113 -2.095 -7.819 1.00 0.00 O ATOM 1142 CB ASP A 76 -0.433 -1.293 -7.018 1.00 0.00 C ATOM 1143 CG ASP A 76 -1.889 -1.182 -6.561 1.00 0.00 C ATOM 1144 OD1 ASP A 76 -2.686 -2.004 -6.982 1.00 0.00 O ATOM 1145 OD2 ASP A 76 -2.182 -0.276 -5.799 1.00 0.00 O ATOM 0 H ASP A 76 0.399 -3.813 -6.051 1.00 0.00 H new ATOM 0 HA ASP A 76 -0.967 -2.756 -8.505 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.236 -1.208 -6.162 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.190 -0.474 -7.695 1.00 0.00 H new ATOM 1150 N LYS A 77 1.332 -3.357 -9.438 1.00 0.00 N ATOM 1151 CA LYS A 77 2.672 -3.434 -10.087 1.00 0.00 C ATOM 1152 C LYS A 77 3.086 -2.042 -10.566 1.00 0.00 C ATOM 1153 O LYS A 77 4.235 -1.659 -10.475 1.00 0.00 O ATOM 1154 CB LYS A 77 2.604 -4.387 -11.281 1.00 0.00 C ATOM 1155 CG LYS A 77 2.343 -5.810 -10.783 1.00 0.00 C ATOM 1156 CD LYS A 77 2.407 -6.784 -11.961 1.00 0.00 C ATOM 1157 CE LYS A 77 2.027 -8.187 -11.483 1.00 0.00 C ATOM 1158 NZ LYS A 77 3.235 -9.060 -11.495 1.00 0.00 N ATOM 0 H LYS A 77 0.588 -3.863 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 77 3.405 -3.803 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.811 -4.078 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.538 -4.352 -11.842 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.082 -6.084 -10.030 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.365 -5.865 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.729 -6.461 -12.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.411 -6.792 -12.386 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.609 -8.139 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.256 -8.606 -12.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.977 -10.014 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.615 -9.114 -12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.957 -8.662 -10.861 1.00 0.00 H new ATOM 1172 N VAL A 78 2.157 -1.279 -11.074 1.00 0.00 N ATOM 1173 CA VAL A 78 2.499 0.089 -11.556 1.00 0.00 C ATOM 1174 C VAL A 78 2.837 0.980 -10.359 1.00 0.00 C ATOM 1175 O VAL A 78 3.775 1.750 -10.391 1.00 0.00 O ATOM 1176 CB VAL A 78 1.304 0.678 -12.308 1.00 0.00 C ATOM 1177 CG1 VAL A 78 1.567 2.155 -12.607 1.00 0.00 C ATOM 1178 CG2 VAL A 78 1.105 -0.080 -13.623 1.00 0.00 C ATOM 0 H VAL A 78 1.177 -1.543 -11.176 1.00 0.00 H new ATOM 0 HA VAL A 78 3.358 0.035 -12.224 1.00 0.00 H new ATOM 0 HB VAL A 78 0.408 0.585 -11.695 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.716 2.575 -13.143 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.710 2.696 -11.671 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.463 2.248 -13.220 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.254 0.339 -14.159 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.002 0.013 -14.236 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.918 -1.133 -13.411 1.00 0.00 H new ATOM 1188 N ASN A 79 2.078 0.880 -9.302 1.00 0.00 N ATOM 1189 CA ASN A 79 2.356 1.721 -8.103 1.00 0.00 C ATOM 1190 C ASN A 79 3.379 1.014 -7.210 1.00 0.00 C ATOM 1191 O ASN A 79 3.672 1.456 -6.117 1.00 0.00 O ATOM 1192 CB ASN A 79 1.060 1.937 -7.319 1.00 0.00 C ATOM 1193 CG ASN A 79 0.004 2.557 -8.236 1.00 0.00 C ATOM 1194 OD1 ASN A 79 -1.133 1.942 -8.411 1.00 0.00 O flip ATOM 1195 ND2 ASN A 79 0.217 3.614 -8.798 1.00 0.00 N flip ATOM 0 H ASN A 79 1.278 0.253 -9.217 1.00 0.00 H new ATOM 0 HA ASN A 79 2.754 2.685 -8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.700 0.988 -6.923 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.244 2.590 -6.465 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.106 4.094 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.494 4.020 -9.407 1.00 0.00 H new ATOM 1202 N HIS A 80 3.926 -0.080 -7.666 1.00 0.00 N ATOM 1203 CA HIS A 80 4.927 -0.811 -6.841 1.00 0.00 C ATOM 1204 C HIS A 80 4.418 -0.928 -5.403 1.00 0.00 C ATOM 1205 O HIS A 80 5.137 -0.676 -4.457 1.00 0.00 O ATOM 1206 CB HIS A 80 6.252 -0.045 -6.853 1.00 0.00 C ATOM 1207 CG HIS A 80 6.637 0.267 -8.273 1.00 0.00 C ATOM 1208 ND1 HIS A 80 6.479 1.531 -8.821 1.00 0.00 N ATOM 1209 CD2 HIS A 80 7.176 -0.508 -9.268 1.00 0.00 C ATOM 1210 CE1 HIS A 80 6.913 1.478 -10.093 1.00 0.00 C ATOM 1211 NE2 HIS A 80 7.349 0.258 -10.417 1.00 0.00 N ATOM 0 H HIS A 80 3.723 -0.498 -8.574 1.00 0.00 H new ATOM 0 HA HIS A 80 5.079 -1.809 -7.253 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.157 0.877 -6.280 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.032 -0.638 -6.375 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.102 2.351 -8.346 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.428 -1.554 -9.174 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.909 2.320 -10.770 1.00 0.00 H new ATOM 1219 N THR A 81 3.180 -1.306 -5.231 1.00 0.00 N ATOM 1220 CA THR A 81 2.626 -1.437 -3.855 1.00 0.00 C ATOM 1221 C THR A 81 2.050 -2.843 -3.665 1.00 0.00 C ATOM 1222 O THR A 81 1.412 -3.386 -4.545 1.00 0.00 O ATOM 1223 CB THR A 81 1.517 -0.401 -3.653 1.00 0.00 C ATOM 1224 OG1 THR A 81 2.029 0.897 -3.925 1.00 0.00 O ATOM 1225 CG2 THR A 81 1.015 -0.463 -2.209 1.00 0.00 C ATOM 0 H THR A 81 2.529 -1.529 -5.984 1.00 0.00 H new ATOM 0 HA THR A 81 3.420 -1.270 -3.127 1.00 0.00 H new ATOM 0 HB THR A 81 0.691 -0.615 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.499 0.890 -4.785 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.226 0.275 -2.066 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.623 -1.459 -2.003 1.00 0.00 H new ATOM 0 HG23 THR A 81 1.839 -0.249 -1.528 1.00 0.00 H new ATOM 1233 N TYR A 82 2.270 -3.434 -2.523 1.00 0.00 N ATOM 1234 CA TYR A 82 1.735 -4.803 -2.276 1.00 0.00 C ATOM 1235 C TYR A 82 1.006 -4.830 -0.931 1.00 0.00 C ATOM 1236 O TYR A 82 1.554 -4.465 0.090 1.00 0.00 O ATOM 1237 CB TYR A 82 2.890 -5.806 -2.251 1.00 0.00 C ATOM 1238 CG TYR A 82 2.337 -7.206 -2.128 1.00 0.00 C ATOM 1239 CD1 TYR A 82 1.889 -7.885 -3.268 1.00 0.00 C ATOM 1240 CD2 TYR A 82 2.274 -7.826 -0.874 1.00 0.00 C ATOM 1241 CE1 TYR A 82 1.376 -9.183 -3.154 1.00 0.00 C ATOM 1242 CE2 TYR A 82 1.761 -9.124 -0.760 1.00 0.00 C ATOM 1243 CZ TYR A 82 1.313 -9.803 -1.900 1.00 0.00 C ATOM 1244 OH TYR A 82 0.808 -11.082 -1.788 1.00 0.00 O ATOM 0 H TYR A 82 2.797 -3.028 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 82 1.040 -5.071 -3.072 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.484 -5.716 -3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.555 -5.591 -1.414 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.939 -7.407 -4.235 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.621 -7.303 0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 82 1.029 -9.706 -4.033 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.711 -9.602 0.207 1.00 0.00 H new ATOM 0 HH TYR A 82 1.049 -11.454 -0.914 1.00 0.00 H new ATOM 1254 N SER A 83 -0.229 -5.257 -0.922 1.00 0.00 N ATOM 1255 CA SER A 83 -0.990 -5.304 0.358 1.00 0.00 C ATOM 1256 C SER A 83 -1.404 -6.748 0.652 1.00 0.00 C ATOM 1257 O SER A 83 -1.908 -7.447 -0.204 1.00 0.00 O ATOM 1258 CB SER A 83 -2.241 -4.430 0.237 1.00 0.00 C ATOM 1259 OG SER A 83 -2.912 -4.389 1.488 1.00 0.00 O ATOM 0 H SER A 83 -0.742 -5.574 -1.745 1.00 0.00 H new ATOM 0 HA SER A 83 -0.363 -4.933 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 83 -1.965 -3.422 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.904 -4.829 -0.531 1.00 0.00 H new ATOM 0 HG SER A 83 -3.712 -3.828 1.412 1.00 0.00 H new ATOM 1265 N TYR A 84 -1.196 -7.201 1.859 1.00 0.00 N ATOM 1266 CA TYR A 84 -1.580 -8.599 2.206 1.00 0.00 C ATOM 1267 C TYR A 84 -1.981 -8.670 3.681 1.00 0.00 C ATOM 1268 O TYR A 84 -1.711 -7.770 4.451 1.00 0.00 O ATOM 1269 CB TYR A 84 -0.392 -9.532 1.952 1.00 0.00 C ATOM 1270 CG TYR A 84 0.670 -9.301 3.001 1.00 0.00 C ATOM 1271 CD1 TYR A 84 1.604 -8.270 2.836 1.00 0.00 C ATOM 1272 CD2 TYR A 84 0.721 -10.117 4.137 1.00 0.00 C ATOM 1273 CE1 TYR A 84 2.589 -8.057 3.808 1.00 0.00 C ATOM 1274 CE2 TYR A 84 1.707 -9.904 5.109 1.00 0.00 C ATOM 1275 CZ TYR A 84 2.641 -8.874 4.944 1.00 0.00 C ATOM 1276 OH TYR A 84 3.612 -8.664 5.902 1.00 0.00 O ATOM 0 H TYR A 84 -0.777 -6.664 2.619 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.423 -8.908 1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -0.721 -10.571 1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.019 -9.351 0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.564 -7.640 1.960 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.000 -10.911 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.309 -7.262 3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 84 1.747 -10.534 5.985 1.00 0.00 H new ATOM 0 HH TYR A 84 3.195 -8.323 6.721 1.00 0.00 H new ATOM 1286 N SER A 85 -2.625 -9.734 4.079 1.00 0.00 N ATOM 1287 CA SER A 85 -3.045 -9.862 5.503 1.00 0.00 C ATOM 1288 C SER A 85 -3.025 -11.338 5.910 1.00 0.00 C ATOM 1289 O SER A 85 -3.196 -12.219 5.090 1.00 0.00 O ATOM 1290 CB SER A 85 -4.460 -9.306 5.669 1.00 0.00 C ATOM 1291 OG SER A 85 -5.382 -10.152 4.997 1.00 0.00 O ATOM 0 H SER A 85 -2.878 -10.519 3.479 1.00 0.00 H new ATOM 0 HA SER A 85 -2.358 -9.301 6.137 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.715 -9.240 6.727 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.515 -8.295 5.264 1.00 0.00 H new ATOM 0 HG SER A 85 -6.088 -9.608 4.589 1.00 0.00 H new ATOM 1297 N LEU A 86 -2.817 -11.614 7.168 1.00 0.00 N ATOM 1298 CA LEU A 86 -2.788 -13.033 7.624 1.00 0.00 C ATOM 1299 C LEU A 86 -4.206 -13.491 7.965 1.00 0.00 C ATOM 1300 O LEU A 86 -4.969 -12.771 8.579 1.00 0.00 O ATOM 1301 CB LEU A 86 -1.903 -13.153 8.865 1.00 0.00 C ATOM 1302 CG LEU A 86 -1.719 -14.630 9.220 1.00 0.00 C ATOM 1303 CD1 LEU A 86 -0.789 -15.289 8.199 1.00 0.00 C ATOM 1304 CD2 LEU A 86 -1.106 -14.748 10.616 1.00 0.00 C ATOM 0 H LEU A 86 -2.666 -10.919 7.899 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.386 -13.660 6.828 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.934 -12.689 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.357 -12.621 9.701 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.688 -15.129 9.205 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.658 -16.341 8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.225 -15.207 7.203 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.180 -14.789 8.213 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.975 -15.800 10.868 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.138 -14.248 10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.768 -14.280 11.345 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.568 -14.682 7.572 1.00 0.00 N ATOM 1317 CA ILE A 87 -5.939 -15.183 7.874 1.00 0.00 C ATOM 1318 C ILE A 87 -5.912 -16.002 9.167 1.00 0.00 C ATOM 1319 O ILE A 87 -6.340 -15.547 10.209 1.00 0.00 O ATOM 1320 CB ILE A 87 -6.426 -16.062 6.720 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -6.325 -15.283 5.407 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.882 -16.463 6.964 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -6.988 -13.914 5.575 1.00 0.00 C ATOM 0 H ILE A 87 -3.974 -15.330 7.055 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.616 -14.338 7.997 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.807 -16.957 6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.280 -15.161 5.124 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.810 -15.838 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.230 -17.089 6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.955 -17.018 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.501 -15.568 7.025 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.917 -13.358 4.640 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.037 -14.048 5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -6.483 -13.360 6.366 1.00 0.00 H new ATOM 1335 N GLU A 88 -5.415 -17.208 9.110 1.00 0.00 N ATOM 1336 CA GLU A 88 -5.366 -18.050 10.338 1.00 0.00 C ATOM 1337 C GLU A 88 -3.912 -18.394 10.666 1.00 0.00 C ATOM 1338 O GLU A 88 -3.070 -18.472 9.792 1.00 0.00 O ATOM 1339 CB GLU A 88 -6.157 -19.339 10.101 1.00 0.00 C ATOM 1340 CG GLU A 88 -7.616 -18.990 9.798 1.00 0.00 C ATOM 1341 CD GLU A 88 -8.438 -20.276 9.692 1.00 0.00 C ATOM 1342 OE1 GLU A 88 -7.839 -21.338 9.667 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -9.653 -20.176 9.639 1.00 0.00 O ATOM 0 H GLU A 88 -5.042 -17.645 8.268 1.00 0.00 H new ATOM 0 HA GLU A 88 -5.804 -17.502 11.173 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.725 -19.897 9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.100 -19.981 10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -8.019 -18.352 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.680 -18.427 8.867 1.00 0.00 H new ATOM 1350 N GLY A 89 -3.608 -18.598 11.918 1.00 0.00 N ATOM 1351 CA GLY A 89 -2.208 -18.934 12.302 1.00 0.00 C ATOM 1352 C GLY A 89 -2.170 -19.383 13.763 1.00 0.00 C ATOM 1353 O GLY A 89 -2.626 -18.688 14.648 1.00 0.00 O ATOM 0 H GLY A 89 -4.269 -18.546 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.824 -19.725 11.658 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.563 -18.066 12.161 1.00 0.00 H new ATOM 1357 N ASP A 90 -1.630 -20.542 14.023 1.00 0.00 N ATOM 1358 CA ASP A 90 -1.563 -21.035 15.428 1.00 0.00 C ATOM 1359 C ASP A 90 -0.998 -19.932 16.327 1.00 0.00 C ATOM 1360 O ASP A 90 -1.378 -19.798 17.473 1.00 0.00 O ATOM 1361 CB ASP A 90 -0.655 -22.264 15.496 1.00 0.00 C ATOM 1362 CG ASP A 90 -1.363 -23.457 14.851 1.00 0.00 C ATOM 1363 OD1 ASP A 90 -2.469 -23.274 14.368 1.00 0.00 O ATOM 1364 OD2 ASP A 90 -0.788 -24.533 14.849 1.00 0.00 O ATOM 0 H ASP A 90 -1.232 -21.169 13.324 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.563 -21.305 15.767 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.285 -22.064 14.982 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.409 -22.491 16.533 1.00 0.00 H new ATOM 1369 N ALA A 91 -0.095 -19.142 15.815 1.00 0.00 N ATOM 1370 CA ALA A 91 0.491 -18.049 16.640 1.00 0.00 C ATOM 1371 C ALA A 91 -0.571 -16.976 16.888 1.00 0.00 C ATOM 1372 O ALA A 91 -0.437 -16.144 17.763 1.00 0.00 O ATOM 1373 CB ALA A 91 1.679 -17.431 15.901 1.00 0.00 C ATOM 0 H ALA A 91 0.262 -19.206 14.862 1.00 0.00 H new ATOM 0 HA ALA A 91 0.830 -18.454 17.594 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.107 -16.631 16.505 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.435 -18.196 15.723 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.343 -17.025 14.947 1.00 0.00 H new ATOM 1379 N LEU A 92 -1.627 -16.990 16.122 1.00 0.00 N ATOM 1380 CA LEU A 92 -2.701 -15.973 16.310 1.00 0.00 C ATOM 1381 C LEU A 92 -3.686 -16.464 17.373 1.00 0.00 C ATOM 1382 O LEU A 92 -4.164 -15.701 18.188 1.00 0.00 O ATOM 1383 CB LEU A 92 -3.442 -15.764 14.988 1.00 0.00 C ATOM 1384 CG LEU A 92 -2.540 -15.008 14.011 1.00 0.00 C ATOM 1385 CD1 LEU A 92 -1.279 -15.831 13.741 1.00 0.00 C ATOM 1386 CD2 LEU A 92 -3.293 -14.780 12.698 1.00 0.00 C ATOM 0 H LEU A 92 -1.793 -17.662 15.373 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.257 -15.031 16.631 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.729 -16.726 14.564 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.361 -15.204 15.159 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.260 -14.047 14.442 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.636 -15.293 13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.744 -15.995 14.677 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.557 -16.792 13.309 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.652 -14.241 12.000 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.572 -15.741 12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.192 -14.195 12.891 1.00 0.00 H new ATOM 1398 N SER A 93 -3.994 -17.732 17.367 1.00 0.00 N ATOM 1399 CA SER A 93 -4.950 -18.269 18.375 1.00 0.00 C ATOM 1400 C SER A 93 -6.317 -17.610 18.181 1.00 0.00 C ATOM 1401 O SER A 93 -6.473 -16.703 17.388 1.00 0.00 O ATOM 1402 CB SER A 93 -4.431 -17.970 19.783 1.00 0.00 C ATOM 1403 OG SER A 93 -3.185 -18.624 19.977 1.00 0.00 O ATOM 0 H SER A 93 -3.625 -18.418 16.708 1.00 0.00 H new ATOM 0 HA SER A 93 -5.046 -19.347 18.248 1.00 0.00 H new ATOM 0 HB2 SER A 93 -4.314 -16.895 19.919 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.152 -18.309 20.527 1.00 0.00 H new ATOM 0 HG SER A 93 -2.851 -18.431 20.878 1.00 0.00 H new ATOM 1409 N GLU A 94 -7.311 -18.062 18.896 1.00 0.00 N ATOM 1410 CA GLU A 94 -8.667 -17.464 18.750 1.00 0.00 C ATOM 1411 C GLU A 94 -8.700 -16.093 19.430 1.00 0.00 C ATOM 1412 O GLU A 94 -9.633 -15.332 19.270 1.00 0.00 O ATOM 1413 CB GLU A 94 -9.702 -18.381 19.405 1.00 0.00 C ATOM 1414 CG GLU A 94 -9.734 -19.721 18.667 1.00 0.00 C ATOM 1415 CD GLU A 94 -10.217 -19.501 17.231 1.00 0.00 C ATOM 1416 OE1 GLU A 94 -10.706 -18.418 16.952 1.00 0.00 O ATOM 1417 OE2 GLU A 94 -10.089 -20.417 16.437 1.00 0.00 O ATOM 0 H GLU A 94 -7.242 -18.820 19.575 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.899 -17.349 17.691 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.453 -18.537 20.455 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.687 -17.914 19.377 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.741 -20.170 18.663 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.396 -20.417 19.182 1.00 0.00 H new ATOM 1424 N ASN A 95 -7.690 -15.773 20.189 1.00 0.00 N ATOM 1425 CA ASN A 95 -7.668 -14.453 20.880 1.00 0.00 C ATOM 1426 C ASN A 95 -7.200 -13.371 19.903 1.00 0.00 C ATOM 1427 O ASN A 95 -7.573 -12.219 20.014 1.00 0.00 O ATOM 1428 CB ASN A 95 -6.707 -14.512 22.069 1.00 0.00 C ATOM 1429 CG ASN A 95 -7.079 -15.692 22.969 1.00 0.00 C ATOM 1430 OD1 ASN A 95 -8.177 -16.205 22.893 1.00 0.00 O ATOM 1431 ND2 ASN A 95 -6.204 -16.145 23.824 1.00 0.00 N ATOM 0 H ASN A 95 -6.879 -16.367 20.361 1.00 0.00 H new ATOM 0 HA ASN A 95 -8.671 -14.215 21.234 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -5.681 -14.620 21.716 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.754 -13.581 22.634 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -6.442 -16.931 24.429 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.282 -15.713 23.887 1.00 0.00 H new ATOM 1438 N ILE A 96 -6.384 -13.729 18.951 1.00 0.00 N ATOM 1439 CA ILE A 96 -5.892 -12.715 17.975 1.00 0.00 C ATOM 1440 C ILE A 96 -6.615 -12.889 16.638 1.00 0.00 C ATOM 1441 O ILE A 96 -6.543 -13.926 16.010 1.00 0.00 O ATOM 1442 CB ILE A 96 -4.387 -12.896 17.769 1.00 0.00 C ATOM 1443 CG1 ILE A 96 -3.686 -12.931 19.129 1.00 0.00 C ATOM 1444 CG2 ILE A 96 -3.841 -11.729 16.944 1.00 0.00 C ATOM 1445 CD1 ILE A 96 -2.176 -13.062 18.921 1.00 0.00 C ATOM 0 H ILE A 96 -6.037 -14.677 18.806 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.091 -11.716 18.363 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.203 -13.832 17.241 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -3.909 -12.023 19.689 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -4.057 -13.769 19.720 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.769 -11.858 16.797 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.340 -11.704 15.975 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.025 -10.793 17.471 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.676 -13.087 19.889 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.962 -13.983 18.378 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.813 -12.210 18.347 1.00 0.00 H new ATOM 1457 N GLU A 97 -7.307 -11.875 16.197 1.00 0.00 N ATOM 1458 CA GLU A 97 -8.033 -11.969 14.900 1.00 0.00 C ATOM 1459 C GLU A 97 -7.030 -11.850 13.751 1.00 0.00 C ATOM 1460 O GLU A 97 -5.840 -11.728 13.964 1.00 0.00 O ATOM 1461 CB GLU A 97 -9.057 -10.837 14.801 1.00 0.00 C ATOM 1462 CG GLU A 97 -10.127 -11.021 15.877 1.00 0.00 C ATOM 1463 CD GLU A 97 -10.839 -12.359 15.666 1.00 0.00 C ATOM 1464 OE1 GLU A 97 -10.726 -12.901 14.579 1.00 0.00 O ATOM 1465 OE2 GLU A 97 -11.484 -12.817 16.594 1.00 0.00 O ATOM 0 H GLU A 97 -7.401 -10.982 16.681 1.00 0.00 H new ATOM 0 HA GLU A 97 -8.548 -12.928 14.840 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.563 -9.874 14.926 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -9.517 -10.834 13.813 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.671 -10.992 16.867 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -10.846 -10.203 15.833 1.00 0.00 H new ATOM 1472 N LYS A 98 -7.497 -11.890 12.534 1.00 0.00 N ATOM 1473 CA LYS A 98 -6.567 -11.786 11.375 1.00 0.00 C ATOM 1474 C LYS A 98 -5.759 -10.491 11.484 1.00 0.00 C ATOM 1475 O LYS A 98 -6.072 -9.612 12.264 1.00 0.00 O ATOM 1476 CB LYS A 98 -7.375 -11.777 10.075 1.00 0.00 C ATOM 1477 CG LYS A 98 -8.261 -13.022 10.017 1.00 0.00 C ATOM 1478 CD LYS A 98 -9.016 -13.050 8.686 1.00 0.00 C ATOM 1479 CE LYS A 98 -9.916 -14.287 8.636 1.00 0.00 C ATOM 1480 NZ LYS A 98 -11.280 -13.929 9.118 1.00 0.00 N ATOM 0 H LYS A 98 -8.483 -11.990 12.292 1.00 0.00 H new ATOM 0 HA LYS A 98 -5.887 -12.638 11.375 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -7.989 -10.878 10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -6.703 -11.755 9.217 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.652 -13.920 10.121 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.967 -13.018 10.848 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.615 -12.146 8.577 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.310 -13.067 7.856 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.968 -14.671 7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.497 -15.080 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.892 -14.769 9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.222 -13.582 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.679 -13.186 8.510 1.00 0.00 H new ATOM 1494 N ILE A 99 -4.713 -10.369 10.711 1.00 0.00 N ATOM 1495 CA ILE A 99 -3.878 -9.136 10.772 1.00 0.00 C ATOM 1496 C ILE A 99 -3.735 -8.541 9.369 1.00 0.00 C ATOM 1497 O ILE A 99 -3.460 -9.239 8.414 1.00 0.00 O ATOM 1498 CB ILE A 99 -2.492 -9.490 11.320 1.00 0.00 C ATOM 1499 CG1 ILE A 99 -2.638 -10.140 12.698 1.00 0.00 C ATOM 1500 CG2 ILE A 99 -1.650 -8.220 11.443 1.00 0.00 C ATOM 1501 CD1 ILE A 99 -1.328 -10.833 13.076 1.00 0.00 C ATOM 0 H ILE A 99 -4.401 -11.071 10.040 1.00 0.00 H new ATOM 0 HA ILE A 99 -4.355 -8.406 11.426 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.001 -10.186 10.640 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.891 -9.385 13.443 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.454 -10.863 12.687 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -0.664 -8.473 11.833 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.544 -7.757 10.462 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.141 -7.523 12.122 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.431 -11.296 14.057 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.095 -11.599 12.336 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -0.523 -10.099 13.104 1.00 0.00 H new ATOM 1513 N ASP A 100 -3.921 -7.255 9.238 1.00 0.00 N ATOM 1514 CA ASP A 100 -3.795 -6.617 7.897 1.00 0.00 C ATOM 1515 C ASP A 100 -2.357 -6.130 7.696 1.00 0.00 C ATOM 1516 O ASP A 100 -1.819 -5.402 8.506 1.00 0.00 O ATOM 1517 CB ASP A 100 -4.751 -5.426 7.807 1.00 0.00 C ATOM 1518 CG ASP A 100 -6.195 -5.929 7.811 1.00 0.00 C ATOM 1519 OD1 ASP A 100 -6.386 -7.127 7.676 1.00 0.00 O ATOM 1520 OD2 ASP A 100 -7.088 -5.109 7.948 1.00 0.00 O ATOM 0 H ASP A 100 -4.154 -6.620 10.001 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.045 -7.344 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -4.588 -4.751 8.647 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -4.555 -4.857 6.898 1.00 0.00 H new ATOM 1525 N TYR A 101 -1.732 -6.524 6.621 1.00 0.00 N ATOM 1526 CA TYR A 101 -0.331 -6.081 6.369 1.00 0.00 C ATOM 1527 C TYR A 101 -0.289 -5.234 5.096 1.00 0.00 C ATOM 1528 O TYR A 101 -0.923 -5.549 4.109 1.00 0.00 O ATOM 1529 CB TYR A 101 0.569 -7.307 6.198 1.00 0.00 C ATOM 1530 CG TYR A 101 0.775 -7.970 7.539 1.00 0.00 C ATOM 1531 CD1 TYR A 101 1.802 -7.534 8.386 1.00 0.00 C ATOM 1532 CD2 TYR A 101 -0.059 -9.022 7.936 1.00 0.00 C ATOM 1533 CE1 TYR A 101 1.993 -8.149 9.629 1.00 0.00 C ATOM 1534 CE2 TYR A 101 0.133 -9.637 9.179 1.00 0.00 C ATOM 1535 CZ TYR A 101 1.158 -9.200 10.025 1.00 0.00 C ATOM 1536 OH TYR A 101 1.347 -9.807 11.251 1.00 0.00 O ATOM 0 H TYR A 101 -2.130 -7.133 5.906 1.00 0.00 H new ATOM 0 HA TYR A 101 0.022 -5.488 7.213 1.00 0.00 H new ATOM 0 HB2 TYR A 101 0.116 -8.010 5.499 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.529 -7.011 5.775 1.00 0.00 H new ATOM 0 HD1 TYR A 101 2.447 -6.723 8.080 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.851 -9.359 7.283 1.00 0.00 H new ATOM 0 HE1 TYR A 101 2.785 -7.812 10.282 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.510 -10.449 9.485 1.00 0.00 H new ATOM 0 HH TYR A 101 1.928 -9.247 11.807 1.00 0.00 H new ATOM 1546 N GLU A 102 0.452 -4.160 5.110 1.00 0.00 N ATOM 1547 CA GLU A 102 0.530 -3.295 3.900 1.00 0.00 C ATOM 1548 C GLU A 102 1.997 -3.056 3.535 1.00 0.00 C ATOM 1549 O GLU A 102 2.820 -2.775 4.383 1.00 0.00 O ATOM 1550 CB GLU A 102 -0.150 -1.956 4.187 1.00 0.00 C ATOM 1551 CG GLU A 102 -1.631 -2.192 4.491 1.00 0.00 C ATOM 1552 CD GLU A 102 -2.343 -0.846 4.642 1.00 0.00 C ATOM 1553 OE1 GLU A 102 -1.660 0.165 4.657 1.00 0.00 O ATOM 1554 OE2 GLU A 102 -3.558 -0.849 4.741 1.00 0.00 O ATOM 0 H GLU A 102 1.006 -3.845 5.906 1.00 0.00 H new ATOM 0 HA GLU A 102 0.026 -3.788 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.332 -1.465 5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.045 -1.291 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -2.090 -2.770 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.737 -2.776 5.405 1.00 0.00 H new ATOM 1561 N THR A 103 2.328 -3.165 2.278 1.00 0.00 N ATOM 1562 CA THR A 103 3.740 -2.946 1.856 1.00 0.00 C ATOM 1563 C THR A 103 3.773 -1.959 0.687 1.00 0.00 C ATOM 1564 O THR A 103 3.039 -2.094 -0.272 1.00 0.00 O ATOM 1565 CB THR A 103 4.354 -4.278 1.418 1.00 0.00 C ATOM 1566 OG1 THR A 103 4.201 -5.232 2.459 1.00 0.00 O ATOM 1567 CG2 THR A 103 5.840 -4.083 1.115 1.00 0.00 C ATOM 0 H THR A 103 1.681 -3.396 1.524 1.00 0.00 H new ATOM 0 HA THR A 103 4.312 -2.541 2.691 1.00 0.00 H new ATOM 0 HB THR A 103 3.848 -4.634 0.521 1.00 0.00 H new ATOM 0 HG1 THR A 103 4.592 -6.086 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.275 -5.032 0.803 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.955 -3.351 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 103 6.350 -3.726 2.010 1.00 0.00 H new ATOM 1575 N LYS A 104 4.618 -0.967 0.757 1.00 0.00 N ATOM 1576 CA LYS A 104 4.695 0.026 -0.351 1.00 0.00 C ATOM 1577 C LYS A 104 6.158 0.383 -0.618 1.00 0.00 C ATOM 1578 O LYS A 104 6.877 0.798 0.270 1.00 0.00 O ATOM 1579 CB LYS A 104 3.925 1.287 0.042 1.00 0.00 C ATOM 1580 CG LYS A 104 3.946 2.283 -1.120 1.00 0.00 C ATOM 1581 CD LYS A 104 3.274 3.586 -0.688 1.00 0.00 C ATOM 1582 CE LYS A 104 3.140 4.516 -1.895 1.00 0.00 C ATOM 1583 NZ LYS A 104 3.224 5.933 -1.441 1.00 0.00 N ATOM 0 H LYS A 104 5.258 -0.801 1.534 1.00 0.00 H new ATOM 0 HA LYS A 104 4.257 -0.402 -1.253 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.896 1.033 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.372 1.737 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 104 4.973 2.476 -1.428 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.428 1.863 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.291 3.378 -0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.861 4.069 0.093 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.928 4.307 -2.618 1.00 0.00 H new ATOM 0 HE3 LYS A 104 2.190 4.340 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.133 6.566 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 2.457 6.127 -0.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.141 6.095 -0.978 1.00 0.00 H new ATOM 1597 N LEU A 105 6.605 0.226 -1.834 1.00 0.00 N ATOM 1598 CA LEU A 105 8.021 0.559 -2.154 1.00 0.00 C ATOM 1599 C LEU A 105 8.096 1.982 -2.712 1.00 0.00 C ATOM 1600 O LEU A 105 7.339 2.358 -3.586 1.00 0.00 O ATOM 1601 CB LEU A 105 8.555 -0.425 -3.197 1.00 0.00 C ATOM 1602 CG LEU A 105 8.504 -1.846 -2.632 1.00 0.00 C ATOM 1603 CD1 LEU A 105 9.122 -1.860 -1.232 1.00 0.00 C ATOM 1604 CD2 LEU A 105 7.049 -2.313 -2.553 1.00 0.00 C ATOM 0 H LEU A 105 6.051 -0.118 -2.618 1.00 0.00 H new ATOM 0 HA LEU A 105 8.623 0.490 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 105 7.960 -0.363 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.579 -0.166 -3.466 1.00 0.00 H new ATOM 0 HG LEU A 105 9.065 -2.516 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 105 9.086 -2.872 -0.829 1.00 0.00 H new ATOM 0 HD12 LEU A 105 10.159 -1.528 -1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 105 8.562 -1.190 -0.580 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.013 -3.325 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.487 -1.644 -1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 105 6.609 -2.303 -3.550 1.00 0.00 H new ATOM 1616 N VAL A 106 9.003 2.777 -2.215 1.00 0.00 N ATOM 1617 CA VAL A 106 9.125 4.175 -2.717 1.00 0.00 C ATOM 1618 C VAL A 106 10.582 4.455 -3.093 1.00 0.00 C ATOM 1619 O VAL A 106 11.499 4.053 -2.405 1.00 0.00 O ATOM 1620 CB VAL A 106 8.683 5.149 -1.624 1.00 0.00 C ATOM 1621 CG1 VAL A 106 8.706 6.577 -2.175 1.00 0.00 C ATOM 1622 CG2 VAL A 106 7.263 4.800 -1.174 1.00 0.00 C ATOM 0 H VAL A 106 9.665 2.519 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 106 8.492 4.304 -3.595 1.00 0.00 H new ATOM 0 HB VAL A 106 9.362 5.075 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 106 8.391 7.272 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 106 9.717 6.826 -2.497 1.00 0.00 H new ATOM 0 HG13 VAL A 106 8.026 6.650 -3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.947 5.494 -0.395 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.584 4.874 -2.023 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.245 3.783 -0.783 1.00 0.00 H new ATOM 1632 N SER A 107 10.802 5.143 -4.179 1.00 0.00 N ATOM 1633 CA SER A 107 12.200 5.449 -4.597 1.00 0.00 C ATOM 1634 C SER A 107 12.450 6.954 -4.477 1.00 0.00 C ATOM 1635 O SER A 107 11.572 7.759 -4.711 1.00 0.00 O ATOM 1636 CB SER A 107 12.406 5.012 -6.047 1.00 0.00 C ATOM 1637 OG SER A 107 11.577 5.789 -6.898 1.00 0.00 O ATOM 0 H SER A 107 10.075 5.507 -4.795 1.00 0.00 H new ATOM 0 HA SER A 107 12.897 4.912 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 107 13.452 5.134 -6.330 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.168 3.954 -6.157 1.00 0.00 H new ATOM 0 HG SER A 107 11.710 5.510 -7.828 1.00 0.00 H new ATOM 1643 N ALA A 108 13.643 7.338 -4.112 1.00 0.00 N ATOM 1644 CA ALA A 108 13.947 8.791 -3.977 1.00 0.00 C ATOM 1645 C ALA A 108 14.857 9.231 -5.127 1.00 0.00 C ATOM 1646 O ALA A 108 15.409 8.416 -5.840 1.00 0.00 O ATOM 1647 CB ALA A 108 14.655 9.042 -2.644 1.00 0.00 C ATOM 0 H ALA A 108 14.419 6.710 -3.902 1.00 0.00 H new ATOM 0 HA ALA A 108 13.018 9.361 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 108 14.878 10.104 -2.545 1.00 0.00 H new ATOM 0 HB2 ALA A 108 14.009 8.728 -1.824 1.00 0.00 H new ATOM 0 HB3 ALA A 108 15.584 8.472 -2.612 1.00 0.00 H new ATOM 1653 N PRO A 109 15.010 10.551 -5.307 1.00 0.00 N ATOM 1654 CA PRO A 109 15.851 11.114 -6.370 1.00 0.00 C ATOM 1655 C PRO A 109 17.341 10.885 -6.097 1.00 0.00 C ATOM 1656 O PRO A 109 18.180 11.131 -6.939 1.00 0.00 O ATOM 1657 CB PRO A 109 15.535 12.609 -6.320 1.00 0.00 C ATOM 1658 CG PRO A 109 15.074 12.851 -4.923 1.00 0.00 C ATOM 1659 CD PRO A 109 14.374 11.596 -4.486 1.00 0.00 C ATOM 0 HA PRO A 109 15.651 10.654 -7.338 1.00 0.00 H new ATOM 0 HB2 PRO A 109 16.415 13.208 -6.556 1.00 0.00 H new ATOM 0 HB3 PRO A 109 14.764 12.875 -7.043 1.00 0.00 H new ATOM 0 HG2 PRO A 109 15.917 13.074 -4.269 1.00 0.00 H new ATOM 0 HG3 PRO A 109 14.401 13.707 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 109 14.510 11.409 -3.421 1.00 0.00 H new ATOM 0 HD3 PRO A 109 13.300 11.651 -4.665 1.00 0.00 H new ATOM 1667 N HIS A 110 17.673 10.416 -4.925 1.00 0.00 N ATOM 1668 CA HIS A 110 19.107 10.173 -4.599 1.00 0.00 C ATOM 1669 C HIS A 110 19.563 8.867 -5.252 1.00 0.00 C ATOM 1670 O HIS A 110 20.742 8.595 -5.360 1.00 0.00 O ATOM 1671 CB HIS A 110 19.273 10.070 -3.082 1.00 0.00 C ATOM 1672 CG HIS A 110 20.730 9.904 -2.747 1.00 0.00 C ATOM 1673 ND1 HIS A 110 21.330 8.657 -2.658 1.00 0.00 N ATOM 1674 CD2 HIS A 110 21.719 10.816 -2.476 1.00 0.00 C ATOM 1675 CE1 HIS A 110 22.624 8.852 -2.346 1.00 0.00 C ATOM 1676 NE2 HIS A 110 22.915 10.150 -2.224 1.00 0.00 N ATOM 0 H HIS A 110 17.014 10.191 -4.180 1.00 0.00 H new ATOM 0 HA HIS A 110 19.712 10.998 -4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.878 10.965 -2.601 1.00 0.00 H new ATOM 0 HB3 HIS A 110 18.702 9.224 -2.700 1.00 0.00 H new ATOM 0 HD2 HIS A 110 21.589 11.888 -2.461 1.00 0.00 H new ATOM 0 HE1 HIS A 110 23.341 8.056 -2.211 1.00 0.00 H new ATOM 0 HE2 HIS A 110 23.819 10.564 -1.995 1.00 0.00 H new ATOM 1684 N GLY A 111 18.639 8.055 -5.688 1.00 0.00 N ATOM 1685 CA GLY A 111 19.021 6.768 -6.333 1.00 0.00 C ATOM 1686 C GLY A 111 18.686 5.609 -5.393 1.00 0.00 C ATOM 1687 O GLY A 111 18.541 4.478 -5.812 1.00 0.00 O ATOM 0 H GLY A 111 17.636 8.228 -5.625 1.00 0.00 H new ATOM 0 HA2 GLY A 111 18.489 6.650 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 111 20.086 6.767 -6.564 1.00 0.00 H new ATOM 1691 N GLY A 112 18.560 5.881 -4.122 1.00 0.00 N ATOM 1692 CA GLY A 112 18.235 4.795 -3.157 1.00 0.00 C ATOM 1693 C GLY A 112 16.729 4.526 -3.180 1.00 0.00 C ATOM 1694 O GLY A 112 15.964 5.273 -3.758 1.00 0.00 O ATOM 0 H GLY A 112 18.668 6.809 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 112 18.781 3.888 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 112 18.549 5.080 -2.153 1.00 0.00 H new ATOM 1698 N THR A 113 16.295 3.462 -2.559 1.00 0.00 N ATOM 1699 CA THR A 113 14.839 3.146 -2.550 1.00 0.00 C ATOM 1700 C THR A 113 14.353 3.005 -1.106 1.00 0.00 C ATOM 1701 O THR A 113 14.896 2.245 -0.330 1.00 0.00 O ATOM 1702 CB THR A 113 14.598 1.834 -3.299 1.00 0.00 C ATOM 1703 OG1 THR A 113 15.042 1.969 -4.642 1.00 0.00 O ATOM 1704 CG2 THR A 113 13.105 1.503 -3.284 1.00 0.00 C ATOM 0 H THR A 113 16.886 2.799 -2.058 1.00 0.00 H new ATOM 0 HA THR A 113 14.291 3.951 -3.039 1.00 0.00 H new ATOM 0 HB THR A 113 15.151 1.030 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 113 15.857 1.440 -4.772 1.00 0.00 H new ATOM 0 HG21 THR A 113 12.934 0.568 -3.818 1.00 0.00 H new ATOM 0 HG22 THR A 113 12.766 1.400 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 113 12.550 2.305 -3.770 1.00 0.00 H new ATOM 1712 N ILE A 114 13.331 3.731 -0.740 1.00 0.00 N ATOM 1713 CA ILE A 114 12.809 3.636 0.653 1.00 0.00 C ATOM 1714 C ILE A 114 11.609 2.686 0.679 1.00 0.00 C ATOM 1715 O ILE A 114 10.803 2.664 -0.230 1.00 0.00 O ATOM 1716 CB ILE A 114 12.372 5.022 1.130 1.00 0.00 C ATOM 1717 CG1 ILE A 114 13.537 6.003 0.990 1.00 0.00 C ATOM 1718 CG2 ILE A 114 11.947 4.943 2.598 1.00 0.00 C ATOM 1719 CD1 ILE A 114 13.055 7.418 1.316 1.00 0.00 C ATOM 0 H ILE A 114 12.835 4.385 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 114 13.591 3.257 1.311 1.00 0.00 H new ATOM 0 HB ILE A 114 11.534 5.367 0.525 1.00 0.00 H new ATOM 0 HG12 ILE A 114 14.347 5.720 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 114 13.936 5.968 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 114 11.635 5.930 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 114 11.116 4.245 2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 114 12.786 4.598 3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.885 8.117 1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.259 7.699 0.626 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.677 7.447 2.338 1.00 0.00 H new ATOM 1731 N ILE A 115 11.484 1.899 1.713 1.00 0.00 N ATOM 1732 CA ILE A 115 10.337 0.953 1.790 1.00 0.00 C ATOM 1733 C ILE A 115 9.582 1.164 3.105 1.00 0.00 C ATOM 1734 O ILE A 115 10.155 1.113 4.176 1.00 0.00 O ATOM 1735 CB ILE A 115 10.855 -0.485 1.727 1.00 0.00 C ATOM 1736 CG1 ILE A 115 11.709 -0.666 0.470 1.00 0.00 C ATOM 1737 CG2 ILE A 115 9.670 -1.452 1.682 1.00 0.00 C ATOM 1738 CD1 ILE A 115 13.135 -1.048 0.872 1.00 0.00 C ATOM 0 H ILE A 115 12.125 1.871 2.506 1.00 0.00 H new ATOM 0 HA ILE A 115 9.664 1.135 0.952 1.00 0.00 H new ATOM 0 HB ILE A 115 11.460 -0.692 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 115 11.279 -1.440 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 115 11.718 0.256 -0.112 1.00 0.00 H new ATOM 0 HG21 ILE A 115 10.038 -2.477 1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.062 -1.324 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 115 9.065 -1.245 0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 115 13.743 -1.177 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 115 13.562 -0.259 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 115 13.117 -1.981 1.436 1.00 0.00 H new ATOM 1750 N LYS A 116 8.300 1.396 3.032 1.00 0.00 N ATOM 1751 CA LYS A 116 7.505 1.605 4.275 1.00 0.00 C ATOM 1752 C LYS A 116 6.496 0.465 4.422 1.00 0.00 C ATOM 1753 O LYS A 116 5.891 0.034 3.460 1.00 0.00 O ATOM 1754 CB LYS A 116 6.762 2.939 4.189 1.00 0.00 C ATOM 1755 CG LYS A 116 7.775 4.084 4.110 1.00 0.00 C ATOM 1756 CD LYS A 116 7.033 5.422 4.126 1.00 0.00 C ATOM 1757 CE LYS A 116 8.039 6.565 3.966 1.00 0.00 C ATOM 1758 NZ LYS A 116 7.543 7.523 2.940 1.00 0.00 N ATOM 0 H LYS A 116 7.768 1.450 2.163 1.00 0.00 H new ATOM 0 HA LYS A 116 8.170 1.620 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 116 6.115 2.951 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.120 3.067 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.468 4.030 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.369 3.996 3.201 1.00 0.00 H new ATOM 0 HD2 LYS A 116 6.300 5.453 3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 116 6.484 5.535 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 116 8.179 7.076 4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 116 9.011 6.170 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 8.226 8.300 2.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.431 7.031 2.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.625 7.909 3.240 1.00 0.00 H new ATOM 1772 N THR A 117 6.310 -0.033 5.614 1.00 0.00 N ATOM 1773 CA THR A 117 5.342 -1.149 5.806 1.00 0.00 C ATOM 1774 C THR A 117 4.422 -0.842 6.990 1.00 0.00 C ATOM 1775 O THR A 117 4.860 -0.407 8.037 1.00 0.00 O ATOM 1776 CB THR A 117 6.106 -2.445 6.081 1.00 0.00 C ATOM 1777 OG1 THR A 117 6.996 -2.705 5.004 1.00 0.00 O ATOM 1778 CG2 THR A 117 5.118 -3.603 6.222 1.00 0.00 C ATOM 0 H THR A 117 6.784 0.283 6.460 1.00 0.00 H new ATOM 0 HA THR A 117 4.742 -1.261 4.903 1.00 0.00 H new ATOM 0 HB THR A 117 6.674 -2.343 7.006 1.00 0.00 H new ATOM 0 HG1 THR A 117 7.488 -3.534 5.179 1.00 0.00 H new ATOM 0 HG21 THR A 117 5.664 -4.526 6.418 1.00 0.00 H new ATOM 0 HG22 THR A 117 4.437 -3.402 7.049 1.00 0.00 H new ATOM 0 HG23 THR A 117 4.547 -3.708 5.300 1.00 0.00 H new ATOM 1786 N THR A 118 3.148 -1.077 6.832 1.00 0.00 N ATOM 1787 CA THR A 118 2.192 -0.814 7.945 1.00 0.00 C ATOM 1788 C THR A 118 1.410 -2.094 8.241 1.00 0.00 C ATOM 1789 O THR A 118 1.005 -2.804 7.342 1.00 0.00 O ATOM 1790 CB THR A 118 1.221 0.297 7.533 1.00 0.00 C ATOM 1791 OG1 THR A 118 1.959 1.439 7.121 1.00 0.00 O ATOM 1792 CG2 THR A 118 0.330 0.664 8.721 1.00 0.00 C ATOM 0 H THR A 118 2.727 -1.441 5.977 1.00 0.00 H new ATOM 0 HA THR A 118 2.738 -0.502 8.835 1.00 0.00 H new ATOM 0 HB THR A 118 0.598 -0.050 6.709 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.340 2.150 6.855 1.00 0.00 H new ATOM 0 HG21 THR A 118 -0.361 1.455 8.427 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.235 -0.213 9.036 1.00 0.00 H new ATOM 0 HG23 THR A 118 0.950 1.012 9.547 1.00 0.00 H new ATOM 1800 N SER A 119 1.200 -2.405 9.492 1.00 0.00 N ATOM 1801 CA SER A 119 0.452 -3.648 9.828 1.00 0.00 C ATOM 1802 C SER A 119 -0.638 -3.342 10.856 1.00 0.00 C ATOM 1803 O SER A 119 -0.553 -2.389 11.606 1.00 0.00 O ATOM 1804 CB SER A 119 1.420 -4.681 10.407 1.00 0.00 C ATOM 1805 OG SER A 119 1.920 -4.216 11.652 1.00 0.00 O ATOM 0 H SER A 119 1.513 -1.854 10.291 1.00 0.00 H new ATOM 0 HA SER A 119 -0.011 -4.042 8.923 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.912 -5.636 10.541 1.00 0.00 H new ATOM 0 HB3 SER A 119 2.243 -4.852 9.714 1.00 0.00 H new ATOM 0 HG SER A 119 2.050 -4.976 12.257 1.00 0.00 H new ATOM 1811 N LYS A 120 -1.661 -4.151 10.898 1.00 0.00 N ATOM 1812 CA LYS A 120 -2.762 -3.925 11.877 1.00 0.00 C ATOM 1813 C LYS A 120 -3.182 -5.267 12.478 1.00 0.00 C ATOM 1814 O LYS A 120 -3.279 -6.262 11.787 1.00 0.00 O ATOM 1815 CB LYS A 120 -3.958 -3.290 11.164 1.00 0.00 C ATOM 1816 CG LYS A 120 -3.566 -1.908 10.640 1.00 0.00 C ATOM 1817 CD LYS A 120 -4.791 -1.234 10.018 1.00 0.00 C ATOM 1818 CE LYS A 120 -4.370 0.079 9.356 1.00 0.00 C ATOM 1819 NZ LYS A 120 -5.352 0.436 8.293 1.00 0.00 N ATOM 0 H LYS A 120 -1.782 -4.963 10.293 1.00 0.00 H new ATOM 0 HA LYS A 120 -2.418 -3.259 12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -4.282 -3.925 10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -4.800 -3.205 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -3.174 -1.296 11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -2.772 -2.000 9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -5.248 -1.895 9.281 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -5.542 -1.043 10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -4.318 0.874 10.100 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -3.373 -0.021 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -5.067 1.329 7.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -5.380 -0.319 7.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -6.296 0.548 8.716 1.00 0.00 H new ATOM 1833 N TYR A 121 -3.427 -5.308 13.758 1.00 0.00 N ATOM 1834 CA TYR A 121 -3.837 -6.592 14.395 1.00 0.00 C ATOM 1835 C TYR A 121 -5.252 -6.457 14.958 1.00 0.00 C ATOM 1836 O TYR A 121 -5.555 -5.534 15.686 1.00 0.00 O ATOM 1837 CB TYR A 121 -2.867 -6.928 15.530 1.00 0.00 C ATOM 1838 CG TYR A 121 -1.447 -6.819 15.028 1.00 0.00 C ATOM 1839 CD1 TYR A 121 -0.781 -5.588 15.074 1.00 0.00 C ATOM 1840 CD2 TYR A 121 -0.796 -7.947 14.517 1.00 0.00 C ATOM 1841 CE1 TYR A 121 0.536 -5.487 14.609 1.00 0.00 C ATOM 1842 CE2 TYR A 121 0.521 -7.847 14.053 1.00 0.00 C ATOM 1843 CZ TYR A 121 1.186 -6.616 14.098 1.00 0.00 C ATOM 1844 OH TYR A 121 2.484 -6.516 13.640 1.00 0.00 O ATOM 0 H TYR A 121 -3.361 -4.510 14.390 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.819 -7.388 13.651 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -3.021 -6.248 16.368 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -3.057 -7.936 15.899 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -1.283 -4.717 15.468 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -1.310 -8.896 14.480 1.00 0.00 H new ATOM 0 HE1 TYR A 121 1.050 -4.538 14.645 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.024 -8.719 13.661 1.00 0.00 H new ATOM 0 HH TYR A 121 2.786 -7.391 13.320 1.00 0.00 H new ATOM 1854 N HIS A 122 -6.122 -7.372 14.626 1.00 0.00 N ATOM 1855 CA HIS A 122 -7.515 -7.295 15.145 1.00 0.00 C ATOM 1856 C HIS A 122 -7.668 -8.245 16.337 1.00 0.00 C ATOM 1857 O HIS A 122 -7.004 -9.259 16.423 1.00 0.00 O ATOM 1858 CB HIS A 122 -8.494 -7.698 14.040 1.00 0.00 C ATOM 1859 CG HIS A 122 -8.496 -6.645 12.966 1.00 0.00 C ATOM 1860 ND1 HIS A 122 -9.233 -5.497 12.809 1.00 0.00 N flip ATOM 1861 CD2 HIS A 122 -7.657 -6.710 11.866 1.00 0.00 C flip ATOM 1862 CE1 HIS A 122 -8.856 -4.857 11.631 1.00 0.00 C flip ATOM 1863 NE2 HIS A 122 -7.904 -5.631 11.103 1.00 0.00 N flip ATOM 0 H HIS A 122 -5.928 -8.168 14.019 1.00 0.00 H new ATOM 0 HA HIS A 122 -7.729 -6.275 15.464 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -8.208 -8.662 13.619 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -9.496 -7.815 14.452 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -6.935 -7.486 11.659 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -9.249 -3.934 11.231 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -7.423 -5.428 10.227 1.00 0.00 H new ATOM 1871 N THR A 123 -8.538 -7.925 17.256 1.00 0.00 N ATOM 1872 CA THR A 123 -8.731 -8.812 18.438 1.00 0.00 C ATOM 1873 C THR A 123 -10.213 -9.174 18.567 1.00 0.00 C ATOM 1874 O THR A 123 -11.072 -8.515 18.017 1.00 0.00 O ATOM 1875 CB THR A 123 -8.271 -8.084 19.703 1.00 0.00 C ATOM 1876 OG1 THR A 123 -9.291 -7.190 20.130 1.00 0.00 O ATOM 1877 CG2 THR A 123 -6.993 -7.298 19.407 1.00 0.00 C ATOM 0 H THR A 123 -9.122 -7.089 17.239 1.00 0.00 H new ATOM 0 HA THR A 123 -8.145 -9.722 18.310 1.00 0.00 H new ATOM 0 HB THR A 123 -8.072 -8.812 20.489 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.999 -6.724 20.941 1.00 0.00 H new ATOM 0 HG21 THR A 123 -6.667 -6.780 20.309 1.00 0.00 H new ATOM 0 HG22 THR A 123 -6.212 -7.984 19.080 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.188 -6.569 18.621 1.00 0.00 H new ATOM 2169 N ALA A 142 10.912 -7.289 10.444 1.00 0.00 N ATOM 2170 CA ALA A 142 11.932 -6.377 9.855 1.00 0.00 C ATOM 2171 C ALA A 142 13.238 -7.145 9.643 1.00 0.00 C ATOM 2172 O ALA A 142 13.941 -6.937 8.675 1.00 0.00 O ATOM 2173 CB ALA A 142 12.178 -5.204 10.807 1.00 0.00 C ATOM 0 HA ALA A 142 11.573 -5.998 8.898 1.00 0.00 H new ATOM 0 HB1 ALA A 142 12.924 -4.536 10.376 1.00 0.00 H new ATOM 0 HB2 ALA A 142 11.247 -4.658 10.959 1.00 0.00 H new ATOM 0 HB3 ALA A 142 12.538 -5.581 11.764 1.00 0.00 H new ATOM 2179 N HIS A 143 13.568 -8.033 10.541 1.00 0.00 N ATOM 2180 CA HIS A 143 14.827 -8.814 10.389 1.00 0.00 C ATOM 2181 C HIS A 143 14.796 -9.575 9.062 1.00 0.00 C ATOM 2182 O HIS A 143 15.747 -9.563 8.307 1.00 0.00 O ATOM 2183 CB HIS A 143 14.952 -9.811 11.545 1.00 0.00 C ATOM 2184 CG HIS A 143 16.273 -10.523 11.452 1.00 0.00 C ATOM 2185 ND1 HIS A 143 17.480 -9.867 11.630 1.00 0.00 N ATOM 2186 CD2 HIS A 143 16.592 -11.835 11.202 1.00 0.00 C ATOM 2187 CE1 HIS A 143 18.461 -10.777 11.486 1.00 0.00 C ATOM 2188 NE2 HIS A 143 17.974 -11.993 11.224 1.00 0.00 N ATOM 0 H HIS A 143 13.020 -8.251 11.373 1.00 0.00 H new ATOM 0 HA HIS A 143 15.680 -8.135 10.400 1.00 0.00 H new ATOM 0 HB2 HIS A 143 14.874 -9.290 12.499 1.00 0.00 H new ATOM 0 HB3 HIS A 143 14.135 -10.532 11.508 1.00 0.00 H new ATOM 0 HD2 HIS A 143 15.878 -12.624 11.016 1.00 0.00 H new ATOM 0 HE1 HIS A 143 19.514 -10.552 11.572 1.00 0.00 H new ATOM 0 HE2 HIS A 143 18.502 -12.853 11.073 1.00 0.00 H new ATOM 2196 N LEU A 144 13.710 -10.237 8.773 1.00 0.00 N ATOM 2197 CA LEU A 144 13.619 -10.995 7.494 1.00 0.00 C ATOM 2198 C LEU A 144 13.726 -10.024 6.317 1.00 0.00 C ATOM 2199 O LEU A 144 14.408 -10.284 5.345 1.00 0.00 O ATOM 2200 CB LEU A 144 12.276 -11.729 7.433 1.00 0.00 C ATOM 2201 CG LEU A 144 12.183 -12.719 8.597 1.00 0.00 C ATOM 2202 CD1 LEU A 144 10.937 -13.590 8.427 1.00 0.00 C ATOM 2203 CD2 LEU A 144 13.429 -13.606 8.612 1.00 0.00 C ATOM 0 H LEU A 144 12.882 -10.286 9.367 1.00 0.00 H new ATOM 0 HA LEU A 144 14.432 -11.719 7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 144 11.455 -11.013 7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 144 12.180 -12.257 6.484 1.00 0.00 H new ATOM 0 HG LEU A 144 12.117 -12.171 9.537 1.00 0.00 H new ATOM 0 HD11 LEU A 144 10.870 -14.295 9.255 1.00 0.00 H new ATOM 0 HD12 LEU A 144 10.049 -12.957 8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 144 11.002 -14.139 7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 144 13.364 -14.311 9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 144 13.496 -14.155 7.673 1.00 0.00 H new ATOM 0 HD23 LEU A 144 14.316 -12.985 8.733 1.00 0.00 H new ATOM 2215 N PHE A 145 13.059 -8.905 6.397 1.00 0.00 N ATOM 2216 CA PHE A 145 13.125 -7.918 5.283 1.00 0.00 C ATOM 2217 C PHE A 145 14.588 -7.569 4.998 1.00 0.00 C ATOM 2218 O PHE A 145 15.023 -7.558 3.863 1.00 0.00 O ATOM 2219 CB PHE A 145 12.367 -6.649 5.680 1.00 0.00 C ATOM 2220 CG PHE A 145 12.278 -5.722 4.492 1.00 0.00 C ATOM 2221 CD1 PHE A 145 11.318 -5.950 3.499 1.00 0.00 C ATOM 2222 CD2 PHE A 145 13.154 -4.635 4.384 1.00 0.00 C ATOM 2223 CE1 PHE A 145 11.234 -5.089 2.396 1.00 0.00 C ATOM 2224 CE2 PHE A 145 13.071 -3.776 3.282 1.00 0.00 C ATOM 2225 CZ PHE A 145 12.110 -4.003 2.288 1.00 0.00 C ATOM 0 H PHE A 145 12.472 -8.632 7.185 1.00 0.00 H new ATOM 0 HA PHE A 145 12.672 -8.348 4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 145 11.367 -6.905 6.031 1.00 0.00 H new ATOM 0 HB3 PHE A 145 12.877 -6.152 6.505 1.00 0.00 H new ATOM 0 HD1 PHE A 145 10.643 -6.789 3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 145 13.894 -4.459 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 145 10.493 -5.264 1.630 1.00 0.00 H new ATOM 0 HE2 PHE A 145 13.748 -2.938 3.198 1.00 0.00 H new ATOM 0 HZ PHE A 145 12.045 -3.340 1.438 1.00 0.00 H new ATOM 2235 N LYS A 146 15.350 -7.287 6.019 1.00 0.00 N ATOM 2236 CA LYS A 146 16.783 -6.941 5.807 1.00 0.00 C ATOM 2237 C LYS A 146 17.449 -8.024 4.957 1.00 0.00 C ATOM 2238 O LYS A 146 18.244 -7.740 4.084 1.00 0.00 O ATOM 2239 CB LYS A 146 17.489 -6.847 7.160 1.00 0.00 C ATOM 2240 CG LYS A 146 16.900 -5.686 7.964 1.00 0.00 C ATOM 2241 CD LYS A 146 17.703 -5.497 9.253 1.00 0.00 C ATOM 2242 CE LYS A 146 17.045 -4.414 10.110 1.00 0.00 C ATOM 2243 NZ LYS A 146 17.802 -3.138 9.965 1.00 0.00 N ATOM 0 H LYS A 146 15.042 -7.281 6.991 1.00 0.00 H new ATOM 0 HA LYS A 146 16.854 -5.982 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 146 17.370 -7.781 7.710 1.00 0.00 H new ATOM 0 HB3 LYS A 146 18.559 -6.697 7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 146 16.923 -4.771 7.372 1.00 0.00 H new ATOM 0 HG3 LYS A 146 15.855 -5.887 8.200 1.00 0.00 H new ATOM 0 HD2 LYS A 146 17.749 -6.435 9.806 1.00 0.00 H new ATOM 0 HD3 LYS A 146 18.729 -5.215 9.017 1.00 0.00 H new ATOM 0 HE2 LYS A 146 16.009 -4.272 9.803 1.00 0.00 H new ATOM 0 HE3 LYS A 146 17.028 -4.723 11.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 17.355 -2.401 10.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 18.784 -3.279 10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 17.796 -2.842 8.968 1.00 0.00 H new ATOM 2257 N LEU A 147 17.131 -9.266 5.204 1.00 0.00 N ATOM 2258 CA LEU A 147 17.748 -10.365 4.411 1.00 0.00 C ATOM 2259 C LEU A 147 17.325 -10.236 2.946 1.00 0.00 C ATOM 2260 O LEU A 147 18.101 -10.477 2.042 1.00 0.00 O ATOM 2261 CB LEU A 147 17.279 -11.715 4.959 1.00 0.00 C ATOM 2262 CG LEU A 147 17.708 -11.847 6.422 1.00 0.00 C ATOM 2263 CD1 LEU A 147 17.362 -13.249 6.929 1.00 0.00 C ATOM 2264 CD2 LEU A 147 19.217 -11.623 6.532 1.00 0.00 C ATOM 0 H LEU A 147 16.470 -9.566 5.921 1.00 0.00 H new ATOM 0 HA LEU A 147 18.834 -10.300 4.484 1.00 0.00 H new ATOM 0 HB2 LEU A 147 16.195 -11.796 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 147 17.704 -12.527 4.369 1.00 0.00 H new ATOM 0 HG LEU A 147 17.185 -11.103 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 147 17.667 -13.345 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 147 16.287 -13.410 6.849 1.00 0.00 H new ATOM 0 HD13 LEU A 147 17.885 -13.993 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 147 19.524 -11.717 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 147 19.740 -12.367 5.931 1.00 0.00 H new ATOM 0 HD23 LEU A 147 19.464 -10.625 6.169 1.00 0.00 H new ATOM 2276 N ILE A 148 16.100 -9.858 2.704 1.00 0.00 N ATOM 2277 CA ILE A 148 15.629 -9.713 1.298 1.00 0.00 C ATOM 2278 C ILE A 148 16.557 -8.759 0.543 1.00 0.00 C ATOM 2279 O ILE A 148 17.021 -9.056 -0.540 1.00 0.00 O ATOM 2280 CB ILE A 148 14.206 -9.151 1.292 1.00 0.00 C ATOM 2281 CG1 ILE A 148 13.277 -10.103 2.049 1.00 0.00 C ATOM 2282 CG2 ILE A 148 13.719 -9.004 -0.150 1.00 0.00 C ATOM 2283 CD1 ILE A 148 11.888 -9.473 2.168 1.00 0.00 C ATOM 0 H ILE A 148 15.405 -9.643 3.419 1.00 0.00 H new ATOM 0 HA ILE A 148 15.637 -10.688 0.811 1.00 0.00 H new ATOM 0 HB ILE A 148 14.201 -8.175 1.778 1.00 0.00 H new ATOM 0 HG12 ILE A 148 13.212 -11.057 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 148 13.680 -10.310 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 148 12.705 -8.604 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 148 14.379 -8.325 -0.689 1.00 0.00 H new ATOM 0 HG23 ILE A 148 13.725 -9.979 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 148 11.226 -10.151 2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 148 11.961 -8.530 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 148 11.486 -9.289 1.172 1.00 0.00 H new ATOM 2295 N GLU A 149 16.832 -7.615 1.107 1.00 0.00 N ATOM 2296 CA GLU A 149 17.731 -6.645 0.421 1.00 0.00 C ATOM 2297 C GLU A 149 19.098 -7.291 0.189 1.00 0.00 C ATOM 2298 O GLU A 149 19.642 -7.244 -0.896 1.00 0.00 O ATOM 2299 CB GLU A 149 17.898 -5.399 1.294 1.00 0.00 C ATOM 2300 CG GLU A 149 18.690 -4.340 0.523 1.00 0.00 C ATOM 2301 CD GLU A 149 18.906 -3.116 1.414 1.00 0.00 C ATOM 2302 OE1 GLU A 149 18.449 -3.143 2.546 1.00 0.00 O ATOM 2303 OE2 GLU A 149 19.522 -2.171 0.951 1.00 0.00 O ATOM 0 H GLU A 149 16.473 -7.310 2.012 1.00 0.00 H new ATOM 0 HA GLU A 149 17.296 -6.362 -0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 149 16.921 -5.005 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 149 18.416 -5.656 2.218 1.00 0.00 H new ATOM 0 HG2 GLU A 149 19.650 -4.747 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 149 18.152 -4.055 -0.381 1.00 0.00 H new ATOM 2310 N GLY A 150 19.658 -7.897 1.200 1.00 0.00 N ATOM 2311 CA GLY A 150 20.989 -8.547 1.035 1.00 0.00 C ATOM 2312 C GLY A 150 20.879 -9.677 0.008 1.00 0.00 C ATOM 2313 O GLY A 150 21.787 -9.920 -0.761 1.00 0.00 O ATOM 0 H GLY A 150 19.252 -7.970 2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 150 21.726 -7.814 0.708 1.00 0.00 H new ATOM 0 HA3 GLY A 150 21.334 -8.941 1.991 1.00 0.00 H new ATOM 2317 N TYR A 151 19.771 -10.368 -0.009 1.00 0.00 N ATOM 2318 CA TYR A 151 19.604 -11.481 -0.986 1.00 0.00 C ATOM 2319 C TYR A 151 19.782 -10.941 -2.407 1.00 0.00 C ATOM 2320 O TYR A 151 20.430 -11.548 -3.235 1.00 0.00 O ATOM 2321 CB TYR A 151 18.204 -12.080 -0.840 1.00 0.00 C ATOM 2322 CG TYR A 151 18.089 -13.309 -1.710 1.00 0.00 C ATOM 2323 CD1 TYR A 151 18.461 -14.560 -1.206 1.00 0.00 C ATOM 2324 CD2 TYR A 151 17.609 -13.196 -3.021 1.00 0.00 C ATOM 2325 CE1 TYR A 151 18.354 -15.700 -2.013 1.00 0.00 C ATOM 2326 CE2 TYR A 151 17.502 -14.334 -3.828 1.00 0.00 C ATOM 2327 CZ TYR A 151 17.874 -15.587 -3.323 1.00 0.00 C ATOM 2328 OH TYR A 151 17.769 -16.709 -4.119 1.00 0.00 O ATOM 0 H TYR A 151 18.976 -10.210 0.610 1.00 0.00 H new ATOM 0 HA TYR A 151 20.351 -12.251 -0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 151 18.015 -12.340 0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 151 17.451 -11.346 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 151 18.831 -14.647 -0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 151 17.321 -12.230 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 151 18.642 -16.666 -1.625 1.00 0.00 H new ATOM 0 HE2 TYR A 151 17.133 -14.247 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 151 17.418 -16.455 -4.998 1.00 0.00 H new ATOM 2338 N LEU A 152 19.210 -9.804 -2.694 1.00 0.00 N ATOM 2339 CA LEU A 152 19.347 -9.226 -4.061 1.00 0.00 C ATOM 2340 C LEU A 152 20.794 -8.781 -4.283 1.00 0.00 C ATOM 2341 O LEU A 152 21.306 -8.826 -5.383 1.00 0.00 O ATOM 2342 CB LEU A 152 18.414 -8.021 -4.200 1.00 0.00 C ATOM 2343 CG LEU A 152 16.981 -8.449 -3.878 1.00 0.00 C ATOM 2344 CD1 LEU A 152 16.045 -7.247 -4.023 1.00 0.00 C ATOM 2345 CD2 LEU A 152 16.549 -9.552 -4.846 1.00 0.00 C ATOM 0 H LEU A 152 18.654 -9.251 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 152 19.081 -9.978 -4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 152 18.728 -7.224 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 152 18.467 -7.621 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 152 16.934 -8.824 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 152 15.024 -7.551 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 152 16.353 -6.461 -3.334 1.00 0.00 H new ATOM 0 HD13 LEU A 152 16.091 -6.871 -5.045 1.00 0.00 H new ATOM 0 HD21 LEU A 152 15.528 -9.858 -4.617 1.00 0.00 H new ATOM 0 HD22 LEU A 152 16.595 -9.177 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 152 17.216 -10.408 -4.743 1.00 0.00 H new