USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 825 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 22 CYS SG : rot 152:sc= 0.945 USER MOD Set 1.2: A 43 ASN : amide:sc= 1.15 K(o=2.1,f=-0.37) USER MOD Set 2.1: A 1 MET N :NH3+ -174:sc= -0.26 (180deg=-0.0968) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.504 X(o=-0.76,f=-0.46) USER MOD Set 3.1: A 9 SER OG : rot -110:sc= 0.855 USER MOD Set 3.2: A 61 CYS SG : rot 6:sc= 0.354 USER MOD Single : A 1 MET CE :methyl 148:sc= -0.0302 (180deg=-2.2!) USER MOD Single : A 3 ASN : amide:sc= -0.47 X(o=-0.47,f=-0.49) USER MOD Single : A 4 MET CE :methyl -112:sc= -2.7 (180deg=-8.05!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 163:sc= -0.537 (180deg=-1.22) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 58:sc= 0.715 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 18 SER OG : rot 180:sc= -0.132 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 113:sc= 1.12 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 2:sc= 1.2 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00558) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -127:sc= 0.854 (180deg=-0.121) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 76:sc= 0.841 USER MOD Single : A 53 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0108) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -174:sc= 0.679 (180deg=0.507) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.655 K(o=0.65,f=-1.1!) USER MOD Single : A 69 TYR OH : rot -164:sc= 1.26 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -90:sc= 0.00429 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.145 X(o=-0.15,f=-0.21) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 1.6 K(o=1.6,f=-5.4!) USER MOD Single : A 91 SER OG : rot 11:sc= 0.357 USER MOD Single : A 99 SER OG : rot -67:sc= 0.118 USER MOD Single : A 100 LYS NZ :NH3+ 162:sc= 1.27 (180deg=1.21) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 16.121 -1.357 6.358 1.00 0.00 N ATOM 26 CA MET A 1 14.795 -1.859 6.702 1.00 0.00 C ATOM 27 C MET A 1 14.693 -3.338 6.356 1.00 0.00 C ATOM 28 O MET A 1 14.843 -3.687 5.188 1.00 0.00 O ATOM 29 CB MET A 1 13.679 -1.085 5.977 1.00 0.00 C ATOM 30 CG MET A 1 12.316 -1.606 6.447 1.00 0.00 C ATOM 31 SD MET A 1 12.038 -1.508 8.239 1.00 0.00 S ATOM 32 CE MET A 1 10.535 -2.501 8.423 1.00 0.00 C ATOM 0 H1 MET A 1 16.218 -0.376 6.689 1.00 0.00 H new ATOM 0 H2 MET A 1 16.845 -1.949 6.813 1.00 0.00 H new ATOM 0 H3 MET A 1 16.247 -1.388 5.326 1.00 0.00 H new ATOM 0 HA MET A 1 14.661 -1.716 7.774 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.765 -0.019 6.185 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.776 -1.208 4.898 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.533 -1.041 5.941 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.213 -2.645 6.134 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.546 -3.002 9.391 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.661 -1.853 8.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.492 -3.246 7.629 1.00 0.00 H new ATOM 42 N ILE A 2 14.383 -4.186 7.333 1.00 0.00 N ATOM 43 CA ILE A 2 14.163 -5.615 7.132 1.00 0.00 C ATOM 44 C ILE A 2 12.662 -5.879 7.188 1.00 0.00 C ATOM 45 O ILE A 2 11.977 -5.265 8.001 1.00 0.00 O ATOM 46 CB ILE A 2 14.920 -6.427 8.208 1.00 0.00 C ATOM 47 CG1 ILE A 2 16.442 -6.166 8.155 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.657 -7.929 8.051 1.00 0.00 C ATOM 49 CD1 ILE A 2 17.156 -6.574 9.446 1.00 0.00 C ATOM 0 H ILE A 2 14.276 -3.894 8.304 1.00 0.00 H new ATOM 0 HA ILE A 2 14.547 -5.928 6.161 1.00 0.00 H new ATOM 0 HB ILE A 2 14.544 -6.095 9.176 1.00 0.00 H new ATOM 0 HG12 ILE A 2 16.872 -6.716 7.318 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.619 -5.107 7.966 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.202 -8.476 8.821 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.590 -8.124 8.154 1.00 0.00 H new ATOM 0 HG23 ILE A 2 14.993 -8.256 7.067 1.00 0.00 H new ATOM 0 HD11 ILE A 2 18.222 -6.368 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.749 -6.006 10.282 1.00 0.00 H new ATOM 0 HD13 ILE A 2 17.006 -7.639 9.624 1.00 0.00 H new ATOM 61 N ASN A 3 12.177 -6.875 6.441 1.00 0.00 N ATOM 62 CA ASN A 3 10.859 -7.483 6.586 1.00 0.00 C ATOM 63 C ASN A 3 9.712 -6.462 6.479 1.00 0.00 C ATOM 64 O ASN A 3 8.711 -6.556 7.191 1.00 0.00 O ATOM 65 CB ASN A 3 10.863 -8.320 7.878 1.00 0.00 C ATOM 66 CG ASN A 3 9.578 -9.079 8.144 1.00 0.00 C ATOM 67 OD1 ASN A 3 9.073 -9.777 7.272 1.00 0.00 O ATOM 68 ND2 ASN A 3 9.039 -8.994 9.350 1.00 0.00 N ATOM 0 H ASN A 3 12.719 -7.295 5.686 1.00 0.00 H new ATOM 0 HA ASN A 3 10.658 -8.152 5.749 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.687 -9.032 7.831 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.060 -7.659 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.189 -9.515 9.567 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.474 -8.408 10.063 1.00 0.00 H new ATOM 75 N MET A 4 9.843 -5.459 5.608 1.00 0.00 N ATOM 76 CA MET A 4 8.786 -4.490 5.333 1.00 0.00 C ATOM 77 C MET A 4 7.799 -5.124 4.349 1.00 0.00 C ATOM 78 O MET A 4 8.202 -5.873 3.454 1.00 0.00 O ATOM 79 CB MET A 4 9.444 -3.255 4.707 1.00 0.00 C ATOM 80 CG MET A 4 8.569 -2.032 4.431 1.00 0.00 C ATOM 81 SD MET A 4 8.279 -0.926 5.839 1.00 0.00 S ATOM 82 CE MET A 4 9.370 0.504 5.474 1.00 0.00 C ATOM 0 H MET A 4 10.694 -5.297 5.070 1.00 0.00 H new ATOM 0 HA MET A 4 8.252 -4.204 6.239 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.256 -2.942 5.363 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.896 -3.561 3.763 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.030 -1.454 3.630 1.00 0.00 H new ATOM 0 HG3 MET A 4 7.604 -2.377 4.061 1.00 0.00 H new ATOM 0 HE1 MET A 4 10.180 0.539 6.202 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.787 0.397 4.472 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.792 1.426 5.530 1.00 0.00 H new ATOM 92 N LYS A 5 6.520 -4.754 4.440 1.00 0.00 N ATOM 93 CA LYS A 5 5.528 -5.034 3.402 1.00 0.00 C ATOM 94 C LYS A 5 4.682 -3.794 3.212 1.00 0.00 C ATOM 95 O LYS A 5 4.266 -3.215 4.215 1.00 0.00 O ATOM 96 CB LYS A 5 4.569 -6.146 3.822 1.00 0.00 C ATOM 97 CG LYS A 5 5.051 -7.558 3.502 1.00 0.00 C ATOM 98 CD LYS A 5 3.844 -8.515 3.533 1.00 0.00 C ATOM 99 CE LYS A 5 4.076 -9.691 4.465 1.00 0.00 C ATOM 100 NZ LYS A 5 5.129 -10.603 3.985 1.00 0.00 N ATOM 0 H LYS A 5 6.142 -4.249 5.241 1.00 0.00 H new ATOM 0 HA LYS A 5 6.063 -5.331 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.395 -6.071 4.895 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.609 -5.984 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.526 -7.581 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.801 -7.874 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.956 -7.969 3.852 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.647 -8.883 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.348 -9.318 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.145 -10.247 4.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.244 -11.386 4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.861 -10.984 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.026 -10.084 3.901 1.00 0.00 H new ATOM 114 N VAL A 6 4.303 -3.464 1.982 1.00 0.00 N ATOM 115 CA VAL A 6 3.346 -2.400 1.727 1.00 0.00 C ATOM 116 C VAL A 6 2.409 -2.823 0.617 1.00 0.00 C ATOM 117 O VAL A 6 2.880 -3.386 -0.363 1.00 0.00 O ATOM 118 CB VAL A 6 4.101 -1.105 1.385 1.00 0.00 C ATOM 119 CG1 VAL A 6 3.205 -0.015 0.800 1.00 0.00 C ATOM 120 CG2 VAL A 6 4.779 -0.554 2.633 1.00 0.00 C ATOM 0 H VAL A 6 4.649 -3.925 1.140 1.00 0.00 H new ATOM 0 HA VAL A 6 2.743 -2.208 2.615 1.00 0.00 H new ATOM 0 HB VAL A 6 4.833 -1.375 0.623 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.803 0.870 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.745 -0.377 -0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.427 0.241 1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.312 0.363 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.026 -0.341 3.392 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.485 -1.290 3.019 1.00 0.00 H new ATOM 130 N ALA A 7 1.114 -2.534 0.747 1.00 0.00 N ATOM 131 CA ALA A 7 0.142 -2.680 -0.321 1.00 0.00 C ATOM 132 C ALA A 7 0.101 -1.380 -1.122 1.00 0.00 C ATOM 133 O ALA A 7 -0.481 -0.401 -0.658 1.00 0.00 O ATOM 134 CB ALA A 7 -1.228 -3.008 0.281 1.00 0.00 C ATOM 0 H ALA A 7 0.710 -2.186 1.616 1.00 0.00 H new ATOM 0 HA ALA A 7 0.420 -3.495 -0.989 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.960 -3.118 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.164 -3.938 0.845 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.536 -2.201 0.946 1.00 0.00 H new ATOM 140 N ILE A 8 0.695 -1.353 -2.314 1.00 0.00 N ATOM 141 CA ILE A 8 0.559 -0.247 -3.253 1.00 0.00 C ATOM 142 C ILE A 8 -0.618 -0.628 -4.148 1.00 0.00 C ATOM 143 O ILE A 8 -0.489 -1.605 -4.887 1.00 0.00 O ATOM 144 CB ILE A 8 1.883 -0.035 -4.037 1.00 0.00 C ATOM 145 CG1 ILE A 8 3.035 0.190 -3.037 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.732 1.148 -5.010 1.00 0.00 C ATOM 147 CD1 ILE A 8 4.334 0.773 -3.604 1.00 0.00 C ATOM 0 H ILE A 8 1.290 -2.108 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 8 0.367 0.708 -2.764 1.00 0.00 H new ATOM 0 HB ILE A 8 2.114 -0.920 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.678 0.855 -2.251 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.268 -0.765 -2.565 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.664 1.291 -5.556 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.927 0.939 -5.714 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.498 2.053 -4.449 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.064 0.883 -2.802 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.731 0.103 -4.367 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.132 1.748 -4.047 1.00 0.00 H new ATOM 159 N SER A 9 -1.778 0.045 -4.095 1.00 0.00 N ATOM 160 CA SER A 9 -2.805 -0.303 -5.082 1.00 0.00 C ATOM 161 C SER A 9 -2.311 0.005 -6.505 1.00 0.00 C ATOM 162 O SER A 9 -1.546 0.956 -6.696 1.00 0.00 O ATOM 163 CB SER A 9 -4.087 0.454 -4.780 1.00 0.00 C ATOM 164 OG SER A 9 -3.873 1.828 -4.983 1.00 0.00 O ATOM 0 H SER A 9 -2.017 0.781 -3.430 1.00 0.00 H new ATOM 0 HA SER A 9 -3.008 -1.372 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.892 0.100 -5.424 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.398 0.271 -3.751 1.00 0.00 H new ATOM 0 HG SER A 9 -3.877 2.291 -4.119 1.00 0.00 H new ATOM 170 N MET A 10 -2.792 -0.737 -7.503 1.00 0.00 N ATOM 171 CA MET A 10 -2.525 -0.525 -8.917 1.00 0.00 C ATOM 172 C MET A 10 -3.819 -0.731 -9.706 1.00 0.00 C ATOM 173 O MET A 10 -4.765 -1.369 -9.226 1.00 0.00 O ATOM 174 CB MET A 10 -1.447 -1.499 -9.426 1.00 0.00 C ATOM 175 CG MET A 10 -0.162 -1.522 -8.584 1.00 0.00 C ATOM 176 SD MET A 10 1.403 -1.939 -9.409 1.00 0.00 S ATOM 177 CE MET A 10 1.409 -0.779 -10.799 1.00 0.00 C ATOM 0 H MET A 10 -3.404 -1.535 -7.336 1.00 0.00 H new ATOM 0 HA MET A 10 -2.158 0.492 -9.057 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.867 -2.504 -9.453 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.190 -1.233 -10.451 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.046 -0.539 -8.128 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.310 -2.234 -7.772 1.00 0.00 H new ATOM 0 HE1 MET A 10 2.417 -0.705 -11.207 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.729 -1.135 -11.573 1.00 0.00 H new ATOM 0 HE3 MET A 10 1.084 0.203 -10.455 1.00 0.00 H new ATOM 187 N ASP A 11 -3.841 -0.195 -10.922 1.00 0.00 N ATOM 188 CA ASP A 11 -4.927 -0.361 -11.888 1.00 0.00 C ATOM 189 C ASP A 11 -4.481 -1.370 -12.948 1.00 0.00 C ATOM 190 O ASP A 11 -4.962 -2.503 -12.963 1.00 0.00 O ATOM 191 CB ASP A 11 -5.331 1.007 -12.471 1.00 0.00 C ATOM 192 CG ASP A 11 -6.841 1.128 -12.625 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.381 0.627 -13.639 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.451 1.710 -11.697 1.00 0.00 O ATOM 0 H ASP A 11 -3.081 0.386 -11.276 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.823 -0.758 -11.411 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.966 1.802 -11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.854 1.145 -13.441 1.00 0.00 H new ATOM 199 N VAL A 12 -3.508 -1.038 -13.801 1.00 0.00 N ATOM 200 CA VAL A 12 -3.019 -1.934 -14.844 1.00 0.00 C ATOM 201 C VAL A 12 -1.513 -1.741 -14.973 1.00 0.00 C ATOM 202 O VAL A 12 -0.769 -2.722 -14.984 1.00 0.00 O ATOM 203 CB VAL A 12 -3.758 -1.657 -16.182 1.00 0.00 C ATOM 204 CG1 VAL A 12 -3.268 -2.614 -17.280 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.290 -1.783 -16.082 1.00 0.00 C ATOM 0 H VAL A 12 -3.037 -0.134 -13.784 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.220 -2.973 -14.582 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.524 -0.622 -16.430 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.798 -2.404 -18.209 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.198 -2.475 -17.433 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.460 -3.643 -16.978 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.736 -1.576 -17.055 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.552 -2.794 -15.770 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.667 -1.069 -15.350 1.00 0.00 H new ATOM 215 N ASP A 13 -1.063 -0.489 -15.035 1.00 0.00 N ATOM 216 CA ASP A 13 0.334 -0.127 -15.212 1.00 0.00 C ATOM 217 C ASP A 13 0.876 0.664 -14.033 1.00 0.00 C ATOM 218 O ASP A 13 2.045 0.509 -13.679 1.00 0.00 O ATOM 219 CB ASP A 13 0.538 0.628 -16.539 1.00 0.00 C ATOM 220 CG ASP A 13 0.144 2.112 -16.466 1.00 0.00 C ATOM 221 OD1 ASP A 13 -1.077 2.384 -16.358 1.00 0.00 O ATOM 222 OD2 ASP A 13 1.036 2.986 -16.485 1.00 0.00 O ATOM 0 H ASP A 13 -1.680 0.320 -14.961 1.00 0.00 H new ATOM 0 HA ASP A 13 0.907 -1.053 -15.256 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.585 0.552 -16.834 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.049 0.142 -17.318 1.00 0.00 H new ATOM 227 N LYS A 14 0.029 1.454 -13.374 1.00 0.00 N ATOM 228 CA LYS A 14 0.423 2.401 -12.342 1.00 0.00 C ATOM 229 C LYS A 14 -0.584 2.381 -11.198 1.00 0.00 C ATOM 230 O LYS A 14 -1.555 1.619 -11.199 1.00 0.00 O ATOM 231 CB LYS A 14 0.584 3.798 -12.979 1.00 0.00 C ATOM 232 CG LYS A 14 -0.705 4.358 -13.585 1.00 0.00 C ATOM 233 CD LYS A 14 -0.416 5.538 -14.513 1.00 0.00 C ATOM 234 CE LYS A 14 -1.750 6.193 -14.843 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.587 7.411 -15.658 1.00 0.00 N ATOM 0 H LYS A 14 -0.976 1.450 -13.551 1.00 0.00 H new ATOM 0 HA LYS A 14 1.384 2.121 -11.911 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.948 4.492 -12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.346 3.746 -13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.219 3.573 -14.140 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.376 4.676 -12.787 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.253 6.251 -14.031 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.081 5.199 -15.422 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.379 5.482 -15.378 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.268 6.444 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.521 7.822 -15.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.009 8.102 -15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.116 7.169 -16.553 1.00 0.00 H new ATOM 249 N ILE A 15 -0.304 3.212 -10.200 1.00 0.00 N ATOM 250 CA ILE A 15 -1.133 3.475 -9.036 1.00 0.00 C ATOM 251 C ILE A 15 -2.553 3.827 -9.500 1.00 0.00 C ATOM 252 O ILE A 15 -2.713 4.718 -10.336 1.00 0.00 O ATOM 253 CB ILE A 15 -0.426 4.604 -8.240 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.845 4.056 -7.548 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.348 5.292 -7.227 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.889 5.135 -7.239 1.00 0.00 C ATOM 0 H ILE A 15 0.562 3.751 -10.184 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.245 2.612 -8.379 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.141 5.370 -8.961 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.559 3.563 -6.619 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.297 3.297 -8.186 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.795 6.071 -6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.195 5.737 -7.749 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.710 4.558 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.752 4.678 -6.755 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.204 5.613 -8.167 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.454 5.883 -6.576 1.00 0.00 H new ATOM 268 N SER A 16 -3.571 3.141 -8.968 1.00 0.00 N ATOM 269 CA SER A 16 -4.979 3.439 -9.240 1.00 0.00 C ATOM 270 C SER A 16 -5.397 4.750 -8.559 1.00 0.00 C ATOM 271 O SER A 16 -4.613 5.376 -7.836 1.00 0.00 O ATOM 272 CB SER A 16 -5.848 2.295 -8.714 1.00 0.00 C ATOM 273 OG SER A 16 -7.172 2.376 -9.182 1.00 0.00 O ATOM 0 H SER A 16 -3.438 2.356 -8.331 1.00 0.00 H new ATOM 0 HA SER A 16 -5.113 3.547 -10.316 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.415 1.342 -9.018 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.848 2.312 -7.624 1.00 0.00 H new ATOM 0 HG SER A 16 -7.174 2.369 -10.162 1.00 0.00 H new ATOM 279 N ASN A 17 -6.658 5.146 -8.743 1.00 0.00 N ATOM 280 CA ASN A 17 -7.179 6.390 -8.194 1.00 0.00 C ATOM 281 C ASN A 17 -7.682 6.275 -6.751 1.00 0.00 C ATOM 282 O ASN A 17 -7.582 7.259 -6.015 1.00 0.00 O ATOM 283 CB ASN A 17 -8.284 6.966 -9.077 1.00 0.00 C ATOM 284 CG ASN A 17 -8.587 8.397 -8.641 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.688 9.237 -8.606 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.826 8.717 -8.310 1.00 0.00 N ATOM 0 H ASN A 17 -7.343 4.611 -9.277 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.326 7.069 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.975 6.950 -10.122 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.182 6.353 -9.001 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.047 9.670 -8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.561 8.011 -8.344 1.00 0.00 H new ATOM 293 N SER A 18 -8.207 5.124 -6.305 1.00 0.00 N ATOM 294 CA SER A 18 -8.798 5.045 -4.962 1.00 0.00 C ATOM 295 C SER A 18 -8.920 3.596 -4.471 1.00 0.00 C ATOM 296 O SER A 18 -9.012 2.669 -5.270 1.00 0.00 O ATOM 297 CB SER A 18 -10.140 5.803 -4.931 1.00 0.00 C ATOM 298 OG SER A 18 -10.965 5.577 -6.058 1.00 0.00 O ATOM 0 H SER A 18 -8.235 4.256 -6.839 1.00 0.00 H new ATOM 0 HA SER A 18 -8.126 5.534 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.686 5.514 -4.033 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.938 6.871 -4.852 1.00 0.00 H new ATOM 0 HG SER A 18 -11.795 6.089 -5.964 1.00 0.00 H new ATOM 304 N PHE A 19 -8.803 3.375 -3.152 1.00 0.00 N ATOM 305 CA PHE A 19 -8.677 2.051 -2.513 1.00 0.00 C ATOM 306 C PHE A 19 -9.896 1.160 -2.825 1.00 0.00 C ATOM 307 O PHE A 19 -9.800 -0.062 -2.812 1.00 0.00 O ATOM 308 CB PHE A 19 -8.558 2.284 -0.994 1.00 0.00 C ATOM 309 CG PHE A 19 -8.416 1.089 -0.065 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.567 0.513 0.508 1.00 0.00 C ATOM 311 CD2 PHE A 19 -7.145 0.613 0.319 1.00 0.00 C ATOM 312 CE1 PHE A 19 -9.454 -0.511 1.465 1.00 0.00 C ATOM 313 CE2 PHE A 19 -7.037 -0.442 1.240 1.00 0.00 C ATOM 314 CZ PHE A 19 -8.186 -0.991 1.831 1.00 0.00 C ATOM 0 H PHE A 19 -8.793 4.138 -2.476 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.798 1.533 -2.898 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.697 2.931 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.440 2.841 -0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.545 0.861 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.254 1.060 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.341 -0.928 1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.063 -0.834 1.495 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.095 -1.779 2.564 1.00 0.00 H new ATOM 324 N GLU A 20 -11.062 1.759 -3.086 1.00 0.00 N ATOM 325 CA GLU A 20 -12.315 1.100 -3.457 1.00 0.00 C ATOM 326 C GLU A 20 -12.515 1.002 -4.980 1.00 0.00 C ATOM 327 O GLU A 20 -13.611 0.659 -5.423 1.00 0.00 O ATOM 328 CB GLU A 20 -13.460 1.858 -2.767 1.00 0.00 C ATOM 329 CG GLU A 20 -13.727 1.348 -1.352 1.00 0.00 C ATOM 330 CD GLU A 20 -14.467 0.006 -1.287 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.180 -0.365 -2.250 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.455 -0.614 -0.195 1.00 0.00 O ATOM 0 H GLU A 20 -11.161 2.773 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.293 0.064 -3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.217 2.920 -2.728 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.368 1.760 -3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.775 1.249 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.310 2.096 -0.814 1.00 0.00 H new ATOM 339 N ASP A 21 -11.490 1.283 -5.785 1.00 0.00 N ATOM 340 CA ASP A 21 -11.563 1.395 -7.251 1.00 0.00 C ATOM 341 C ASP A 21 -10.351 0.772 -7.954 1.00 0.00 C ATOM 342 O ASP A 21 -10.309 0.694 -9.182 1.00 0.00 O ATOM 343 CB ASP A 21 -11.627 2.896 -7.546 1.00 0.00 C ATOM 344 CG ASP A 21 -11.682 3.321 -9.009 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.794 3.300 -9.589 1.00 0.00 O ATOM 346 OD2 ASP A 21 -10.741 4.013 -9.464 1.00 0.00 O ATOM 0 H ASP A 21 -10.549 1.446 -5.426 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.431 0.853 -7.626 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.506 3.301 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.755 3.366 -7.091 1.00 0.00 H new ATOM 351 N CYS A 22 -9.352 0.343 -7.178 1.00 0.00 N ATOM 352 CA CYS A 22 -8.168 -0.308 -7.699 1.00 0.00 C ATOM 353 C CYS A 22 -8.466 -1.728 -8.134 1.00 0.00 C ATOM 354 O CYS A 22 -9.431 -2.339 -7.684 1.00 0.00 O ATOM 355 CB CYS A 22 -7.060 -0.272 -6.648 1.00 0.00 C ATOM 356 SG CYS A 22 -7.634 -0.917 -5.056 1.00 0.00 S ATOM 0 H CYS A 22 -9.351 0.443 -6.163 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.832 0.232 -8.584 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.209 -0.859 -6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.710 0.753 -6.522 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.628 -1.419 -4.403 1.00 0.00 H new ATOM 362 N LYS A 23 -7.577 -2.275 -8.960 1.00 0.00 N ATOM 363 CA LYS A 23 -7.757 -3.586 -9.569 1.00 0.00 C ATOM 364 C LYS A 23 -6.952 -4.612 -8.790 1.00 0.00 C ATOM 365 O LYS A 23 -7.361 -5.765 -8.665 1.00 0.00 O ATOM 366 CB LYS A 23 -7.312 -3.524 -11.036 1.00 0.00 C ATOM 367 CG LYS A 23 -8.294 -2.822 -11.999 1.00 0.00 C ATOM 368 CD LYS A 23 -8.891 -1.488 -11.521 1.00 0.00 C ATOM 369 CE LYS A 23 -9.849 -0.827 -12.511 1.00 0.00 C ATOM 370 NZ LYS A 23 -11.130 -1.559 -12.604 1.00 0.00 N ATOM 0 H LYS A 23 -6.706 -1.816 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.806 -3.881 -9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.352 -3.010 -11.085 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.147 -4.541 -11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.778 -2.646 -12.943 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.115 -3.508 -12.208 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.419 -1.657 -10.583 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.076 -0.796 -11.308 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.039 0.201 -12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.382 -0.783 -13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.754 -1.081 -13.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.951 -2.533 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.587 -1.579 -11.670 1.00 0.00 H new ATOM 384 N TYR A 24 -5.807 -4.214 -8.229 1.00 0.00 N ATOM 385 CA TYR A 24 -5.035 -5.081 -7.361 1.00 0.00 C ATOM 386 C TYR A 24 -4.159 -4.282 -6.407 1.00 0.00 C ATOM 387 O TYR A 24 -4.021 -3.068 -6.544 1.00 0.00 O ATOM 388 CB TYR A 24 -4.239 -6.077 -8.213 1.00 0.00 C ATOM 389 CG TYR A 24 -3.058 -5.517 -8.975 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.222 -4.907 -10.232 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.770 -5.719 -8.471 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.088 -4.519 -10.982 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.645 -5.295 -9.162 1.00 0.00 C ATOM 394 CZ TYR A 24 -0.784 -4.720 -10.449 1.00 0.00 C ATOM 395 OH TYR A 24 0.318 -4.390 -11.172 1.00 0.00 O ATOM 0 H TYR A 24 -5.399 -3.289 -8.367 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.712 -5.652 -6.725 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.879 -6.873 -7.561 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.921 -6.536 -8.929 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.214 -4.735 -10.624 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.648 -6.217 -7.521 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.211 -4.071 -11.957 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.335 -5.403 -8.720 1.00 0.00 H new ATOM 0 HH TYR A 24 0.781 -3.642 -10.740 1.00 0.00 H new ATOM 405 N PHE A 25 -3.553 -4.979 -5.451 1.00 0.00 N ATOM 406 CA PHE A 25 -2.614 -4.472 -4.472 1.00 0.00 C ATOM 407 C PHE A 25 -1.289 -5.141 -4.734 1.00 0.00 C ATOM 408 O PHE A 25 -1.178 -6.364 -4.617 1.00 0.00 O ATOM 409 CB PHE A 25 -3.089 -4.794 -3.056 1.00 0.00 C ATOM 410 CG PHE A 25 -4.444 -4.216 -2.764 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.591 -2.824 -2.625 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.567 -5.061 -2.733 1.00 0.00 C ATOM 413 CE1 PHE A 25 -5.872 -2.271 -2.468 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.845 -4.509 -2.558 1.00 0.00 C ATOM 415 CZ PHE A 25 -6.995 -3.116 -2.458 1.00 0.00 C ATOM 0 H PHE A 25 -3.720 -5.979 -5.337 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.528 -3.389 -4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.121 -5.875 -2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.368 -4.406 -2.336 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.722 -2.183 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.447 -6.129 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.994 -1.204 -2.356 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.710 -5.153 -2.500 1.00 0.00 H new ATOM 0 HZ PHE A 25 -7.984 -2.690 -2.373 1.00 0.00 H new ATOM 425 N LEU A 26 -0.297 -4.350 -5.120 1.00 0.00 N ATOM 426 CA LEU A 26 1.078 -4.784 -5.194 1.00 0.00 C ATOM 427 C LEU A 26 1.617 -4.823 -3.760 1.00 0.00 C ATOM 428 O LEU A 26 1.899 -3.770 -3.195 1.00 0.00 O ATOM 429 CB LEU A 26 1.885 -3.862 -6.124 1.00 0.00 C ATOM 430 CG LEU A 26 3.121 -4.514 -6.766 1.00 0.00 C ATOM 431 CD1 LEU A 26 4.047 -5.171 -5.757 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.812 -5.582 -7.817 1.00 0.00 C ATOM 0 H LEU A 26 -0.434 -3.377 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 26 1.165 -5.780 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.228 -3.504 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.206 -2.988 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 26 3.600 -3.659 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.898 -5.611 -6.277 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.402 -4.423 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.506 -5.951 -5.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.745 -5.984 -8.213 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.235 -6.386 -7.360 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.235 -5.138 -8.628 1.00 0.00 H new ATOM 444 N ILE A 27 1.673 -5.995 -3.126 1.00 0.00 N ATOM 445 CA ILE A 27 2.391 -6.218 -1.876 1.00 0.00 C ATOM 446 C ILE A 27 3.887 -6.145 -2.196 1.00 0.00 C ATOM 447 O ILE A 27 4.482 -7.113 -2.674 1.00 0.00 O ATOM 448 CB ILE A 27 1.984 -7.527 -1.152 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.460 -7.794 -1.183 1.00 0.00 C ATOM 450 CG2 ILE A 27 2.488 -7.499 0.300 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.407 -6.669 -0.596 1.00 0.00 C ATOM 0 H ILE A 27 1.209 -6.833 -3.477 1.00 0.00 H new ATOM 0 HA ILE A 27 2.124 -5.444 -1.156 1.00 0.00 H new ATOM 0 HB ILE A 27 2.453 -8.347 -1.696 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.157 -7.965 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.256 -8.714 -0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.199 -8.422 0.803 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.574 -7.407 0.306 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.049 -6.648 0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.459 -6.948 -0.662 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.139 -6.510 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.239 -5.750 -1.157 1.00 0.00 H new ATOM 463 N VAL A 28 4.490 -4.987 -1.969 1.00 0.00 N ATOM 464 CA VAL A 28 5.929 -4.780 -1.980 1.00 0.00 C ATOM 465 C VAL A 28 6.553 -5.668 -0.901 1.00 0.00 C ATOM 466 O VAL A 28 5.945 -5.905 0.149 1.00 0.00 O ATOM 467 CB VAL A 28 6.194 -3.281 -1.722 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.674 -2.955 -1.502 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.663 -2.448 -2.893 1.00 0.00 C ATOM 0 H VAL A 28 3.970 -4.134 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 28 6.375 -5.050 -2.937 1.00 0.00 H new ATOM 0 HB VAL A 28 5.669 -3.030 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 28 7.789 -1.885 -1.326 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.043 -3.506 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.245 -3.241 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.853 -1.392 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.167 -2.749 -3.812 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.590 -2.610 -2.998 1.00 0.00 H new ATOM 479 N ARG A 29 7.795 -6.101 -1.125 1.00 0.00 N ATOM 480 CA ARG A 29 8.690 -6.610 -0.096 1.00 0.00 C ATOM 481 C ARG A 29 9.993 -5.846 -0.196 1.00 0.00 C ATOM 482 O ARG A 29 10.571 -5.743 -1.281 1.00 0.00 O ATOM 483 CB ARG A 29 8.973 -8.102 -0.291 1.00 0.00 C ATOM 484 CG ARG A 29 8.202 -9.009 0.672 1.00 0.00 C ATOM 485 CD ARG A 29 8.902 -10.371 0.626 1.00 0.00 C ATOM 486 NE ARG A 29 8.192 -11.424 1.356 1.00 0.00 N ATOM 487 CZ ARG A 29 8.278 -11.675 2.665 1.00 0.00 C ATOM 488 NH1 ARG A 29 8.934 -10.878 3.502 1.00 0.00 N ATOM 489 NH2 ARG A 29 7.672 -12.756 3.129 1.00 0.00 N ATOM 0 H ARG A 29 8.213 -6.105 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 29 8.223 -6.480 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.722 -8.379 -1.315 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.041 -8.279 -0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.210 -8.601 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.158 -9.097 0.372 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.016 -10.676 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.905 -10.268 1.039 1.00 0.00 H new ATOM 0 HE ARG A 29 7.572 -12.024 0.812 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.395 -10.039 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.976 -11.105 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.160 -13.367 2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.717 -12.979 4.123 1.00 0.00 H new ATOM 503 N ILE A 30 10.467 -5.381 0.947 1.00 0.00 N ATOM 504 CA ILE A 30 11.775 -4.787 1.156 1.00 0.00 C ATOM 505 C ILE A 30 12.342 -5.553 2.348 1.00 0.00 C ATOM 506 O ILE A 30 11.585 -5.955 3.245 1.00 0.00 O ATOM 507 CB ILE A 30 11.623 -3.262 1.380 1.00 0.00 C ATOM 508 CG1 ILE A 30 11.326 -2.493 0.074 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.809 -2.631 2.124 1.00 0.00 C ATOM 510 CD1 ILE A 30 10.411 -1.291 0.348 1.00 0.00 C ATOM 0 H ILE A 30 9.916 -5.410 1.805 1.00 0.00 H new ATOM 0 HA ILE A 30 12.456 -4.867 0.308 1.00 0.00 H new ATOM 0 HB ILE A 30 10.753 -3.165 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.260 -2.151 -0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.853 -3.160 -0.647 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.635 -1.562 2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.912 -3.096 3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.723 -2.787 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.214 -0.763 -0.585 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.470 -1.640 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.898 -0.616 1.051 1.00 0.00 H new ATOM 522 N ASP A 31 13.652 -5.808 2.353 1.00 0.00 N ATOM 523 CA ASP A 31 14.239 -6.654 3.407 1.00 0.00 C ATOM 524 C ASP A 31 15.664 -6.289 3.789 1.00 0.00 C ATOM 525 O ASP A 31 16.200 -6.827 4.756 1.00 0.00 O ATOM 526 CB ASP A 31 14.199 -8.129 3.010 1.00 0.00 C ATOM 527 CG ASP A 31 14.289 -9.040 4.228 1.00 0.00 C ATOM 528 OD1 ASP A 31 13.356 -9.018 5.058 1.00 0.00 O ATOM 529 OD2 ASP A 31 15.282 -9.798 4.357 1.00 0.00 O ATOM 0 H ASP A 31 14.315 -5.455 1.663 1.00 0.00 H new ATOM 0 HA ASP A 31 13.618 -6.471 4.284 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.276 -8.336 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.023 -8.346 2.331 1.00 0.00 H new ATOM 534 N ASP A 32 16.266 -5.351 3.067 1.00 0.00 N ATOM 535 CA ASP A 32 17.430 -4.637 3.558 1.00 0.00 C ATOM 536 C ASP A 32 17.437 -3.265 2.896 1.00 0.00 C ATOM 537 O ASP A 32 18.329 -2.933 2.125 1.00 0.00 O ATOM 538 CB ASP A 32 18.704 -5.451 3.320 1.00 0.00 C ATOM 539 CG ASP A 32 19.915 -4.843 4.022 1.00 0.00 C ATOM 540 OD1 ASP A 32 19.762 -3.904 4.840 1.00 0.00 O ATOM 541 OD2 ASP A 32 21.020 -5.365 3.754 1.00 0.00 O ATOM 0 H ASP A 32 15.962 -5.069 2.135 1.00 0.00 H new ATOM 0 HA ASP A 32 17.389 -4.494 4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.554 -6.470 3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.899 -5.512 2.249 1.00 0.00 H new ATOM 546 N ASN A 33 16.359 -2.510 3.121 1.00 0.00 N ATOM 547 CA ASN A 33 16.021 -1.199 2.556 1.00 0.00 C ATOM 548 C ASN A 33 15.715 -1.208 1.056 1.00 0.00 C ATOM 549 O ASN A 33 14.947 -0.367 0.607 1.00 0.00 O ATOM 550 CB ASN A 33 17.085 -0.146 2.909 1.00 0.00 C ATOM 551 CG ASN A 33 16.512 1.204 3.301 1.00 0.00 C ATOM 552 OD1 ASN A 33 16.817 2.214 2.685 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.719 1.248 4.368 1.00 0.00 N ATOM 0 H ASN A 33 15.633 -2.829 3.762 1.00 0.00 H new ATOM 0 HA ASN A 33 15.081 -0.919 3.031 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.695 -0.522 3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 33 17.748 -0.013 2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.349 2.142 4.692 1.00 0.00 H new ATOM 0 HD22 ASN A 33 15.481 0.388 4.863 1.00 0.00 H new ATOM 560 N GLU A 34 16.222 -2.184 0.307 1.00 0.00 N ATOM 561 CA GLU A 34 16.048 -2.358 -1.121 1.00 0.00 C ATOM 562 C GLU A 34 14.841 -3.263 -1.383 1.00 0.00 C ATOM 563 O GLU A 34 14.506 -4.101 -0.534 1.00 0.00 O ATOM 564 CB GLU A 34 17.366 -2.981 -1.615 1.00 0.00 C ATOM 565 CG GLU A 34 17.409 -3.625 -2.997 1.00 0.00 C ATOM 566 CD GLU A 34 17.212 -2.644 -4.153 1.00 0.00 C ATOM 567 OE1 GLU A 34 16.340 -1.758 -4.034 1.00 0.00 O ATOM 568 OE2 GLU A 34 17.935 -2.780 -5.168 1.00 0.00 O ATOM 0 H GLU A 34 16.802 -2.918 0.714 1.00 0.00 H new ATOM 0 HA GLU A 34 15.848 -1.425 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 34 18.127 -2.201 -1.592 1.00 0.00 H new ATOM 0 HB3 GLU A 34 17.664 -3.738 -0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 34 18.368 -4.128 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 34 16.637 -4.393 -3.052 1.00 0.00 H new ATOM 575 N VAL A 35 14.240 -3.129 -2.568 1.00 0.00 N ATOM 576 CA VAL A 35 13.156 -3.977 -3.063 1.00 0.00 C ATOM 577 C VAL A 35 13.692 -5.391 -3.294 1.00 0.00 C ATOM 578 O VAL A 35 14.719 -5.574 -3.943 1.00 0.00 O ATOM 579 CB VAL A 35 12.492 -3.373 -4.328 1.00 0.00 C ATOM 580 CG1 VAL A 35 13.458 -3.000 -5.464 1.00 0.00 C ATOM 581 CG2 VAL A 35 11.410 -4.310 -4.894 1.00 0.00 C ATOM 0 H VAL A 35 14.505 -2.401 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 35 12.365 -4.030 -2.315 1.00 0.00 H new ATOM 0 HB VAL A 35 12.056 -2.441 -3.969 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.894 -2.587 -6.300 1.00 0.00 H new ATOM 0 HG12 VAL A 35 14.172 -2.258 -5.106 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.994 -3.890 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.964 -3.858 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.860 -5.266 -5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.638 -4.471 -4.141 1.00 0.00 H new ATOM 591 N LYS A 36 12.993 -6.405 -2.774 1.00 0.00 N ATOM 592 CA LYS A 36 13.433 -7.796 -2.872 1.00 0.00 C ATOM 593 C LYS A 36 12.463 -8.670 -3.637 1.00 0.00 C ATOM 594 O LYS A 36 12.881 -9.685 -4.186 1.00 0.00 O ATOM 595 CB LYS A 36 13.664 -8.371 -1.470 1.00 0.00 C ATOM 596 CG LYS A 36 14.633 -7.536 -0.625 1.00 0.00 C ATOM 597 CD LYS A 36 16.042 -7.460 -1.217 1.00 0.00 C ATOM 598 CE LYS A 36 16.941 -6.552 -0.376 1.00 0.00 C ATOM 599 NZ LYS A 36 18.358 -6.733 -0.742 1.00 0.00 N ATOM 0 H LYS A 36 12.111 -6.283 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 36 14.367 -7.794 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 12.708 -8.441 -0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.053 -9.385 -1.560 1.00 0.00 H new ATOM 0 HG2 LYS A 36 14.236 -6.526 -0.520 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.690 -7.962 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.474 -8.460 -1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.991 -7.083 -2.238 1.00 0.00 H new ATOM 0 HE2 LYS A 36 16.653 -5.511 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.803 -6.775 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 18.950 -6.107 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.635 -7.722 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.490 -6.497 -1.746 1.00 0.00 H new ATOM 613 N SER A 37 11.171 -8.358 -3.660 1.00 0.00 N ATOM 614 CA SER A 37 10.181 -9.077 -4.450 1.00 0.00 C ATOM 615 C SER A 37 8.930 -8.215 -4.557 1.00 0.00 C ATOM 616 O SER A 37 8.718 -7.304 -3.751 1.00 0.00 O ATOM 617 CB SER A 37 9.817 -10.407 -3.770 1.00 0.00 C ATOM 618 OG SER A 37 10.871 -11.352 -3.844 1.00 0.00 O ATOM 0 H SER A 37 10.778 -7.586 -3.121 1.00 0.00 H new ATOM 0 HA SER A 37 10.590 -9.287 -5.438 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.569 -10.223 -2.725 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.926 -10.822 -4.241 1.00 0.00 H new ATOM 0 HG SER A 37 11.641 -10.949 -4.297 1.00 0.00 H new ATOM 624 N THR A 38 8.055 -8.571 -5.493 1.00 0.00 N ATOM 625 CA THR A 38 6.732 -7.987 -5.637 1.00 0.00 C ATOM 626 C THR A 38 5.672 -9.083 -5.498 1.00 0.00 C ATOM 627 O THR A 38 5.912 -10.234 -5.869 1.00 0.00 O ATOM 628 CB THR A 38 6.672 -7.236 -6.983 1.00 0.00 C ATOM 629 OG1 THR A 38 7.217 -7.935 -8.092 1.00 0.00 O ATOM 630 CG2 THR A 38 7.480 -5.940 -6.909 1.00 0.00 C ATOM 0 H THR A 38 8.254 -9.291 -6.187 1.00 0.00 H new ATOM 0 HA THR A 38 6.526 -7.261 -4.851 1.00 0.00 H new ATOM 0 HB THR A 38 5.604 -7.088 -7.140 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.134 -7.385 -8.899 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.427 -5.423 -7.867 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.070 -5.300 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.520 -6.172 -6.679 1.00 0.00 H new ATOM 638 N LYS A 39 4.488 -8.755 -4.981 1.00 0.00 N ATOM 639 CA LYS A 39 3.333 -9.642 -4.935 1.00 0.00 C ATOM 640 C LYS A 39 2.126 -8.885 -5.386 1.00 0.00 C ATOM 641 O LYS A 39 2.013 -7.708 -5.143 1.00 0.00 O ATOM 642 CB LYS A 39 3.006 -10.115 -3.506 1.00 0.00 C ATOM 643 CG LYS A 39 2.909 -11.623 -3.290 1.00 0.00 C ATOM 644 CD LYS A 39 4.255 -12.161 -2.814 1.00 0.00 C ATOM 645 CE LYS A 39 5.101 -12.679 -3.981 1.00 0.00 C ATOM 646 NZ LYS A 39 4.633 -13.994 -4.467 1.00 0.00 N ATOM 0 H LYS A 39 4.304 -7.839 -4.572 1.00 0.00 H new ATOM 0 HA LYS A 39 3.574 -10.498 -5.565 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.770 -9.723 -2.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.059 -9.667 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.136 -11.846 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.617 -12.115 -4.218 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.798 -11.373 -2.292 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.093 -12.965 -2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.070 -11.959 -4.799 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.142 -12.759 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.283 -14.345 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.607 -14.667 -3.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.679 -13.896 -4.870 1.00 0.00 H new ATOM 660 N VAL A 40 1.137 -9.582 -5.874 1.00 0.00 N ATOM 661 CA VAL A 40 -0.204 -9.167 -6.137 1.00 0.00 C ATOM 662 C VAL A 40 -1.329 -9.961 -5.482 1.00 0.00 C ATOM 663 O VAL A 40 -1.366 -11.191 -5.543 1.00 0.00 O ATOM 664 CB VAL A 40 -0.252 -8.637 -7.547 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.564 -9.292 -8.624 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.704 -8.767 -8.058 1.00 0.00 C ATOM 0 H VAL A 40 1.272 -10.562 -6.123 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.519 -8.312 -5.538 1.00 0.00 H new ATOM 0 HB VAL A 40 0.166 -7.638 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.401 -8.774 -9.569 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.621 -9.243 -8.361 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.263 -10.335 -8.725 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.766 -8.389 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.004 -9.815 -8.040 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.369 -8.189 -7.416 1.00 0.00 H new ATOM 676 N ILE A 41 -2.219 -9.218 -4.820 1.00 0.00 N ATOM 677 CA ILE A 41 -3.515 -9.635 -4.316 1.00 0.00 C ATOM 678 C ILE A 41 -4.501 -8.828 -5.160 1.00 0.00 C ATOM 679 O ILE A 41 -4.485 -7.601 -5.081 1.00 0.00 O ATOM 680 CB ILE A 41 -3.633 -9.311 -2.803 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.588 -10.087 -1.978 1.00 0.00 C ATOM 682 CG2 ILE A 41 -5.051 -9.620 -2.306 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.651 -9.778 -0.481 1.00 0.00 C ATOM 0 H ILE A 41 -2.032 -8.237 -4.611 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.695 -10.707 -4.395 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.435 -8.248 -2.668 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.737 -11.156 -2.128 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.591 -9.849 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.122 -9.389 -1.243 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.770 -9.015 -2.858 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.270 -10.676 -2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.890 -10.357 0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.472 -8.715 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.636 -10.042 -0.096 1.00 0.00 H new ATOM 695 N PHE A 42 -5.337 -9.476 -5.974 1.00 0.00 N ATOM 696 CA PHE A 42 -6.352 -8.767 -6.754 1.00 0.00 C ATOM 697 C PHE A 42 -7.372 -8.155 -5.803 1.00 0.00 C ATOM 698 O PHE A 42 -7.837 -8.838 -4.883 1.00 0.00 O ATOM 699 CB PHE A 42 -7.040 -9.721 -7.730 1.00 0.00 C ATOM 700 CG PHE A 42 -6.085 -10.213 -8.790 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.733 -9.359 -9.848 1.00 0.00 C ATOM 702 CD2 PHE A 42 -5.491 -11.484 -8.679 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.814 -9.800 -10.814 1.00 0.00 C ATOM 704 CE2 PHE A 42 -4.552 -11.900 -9.637 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.214 -11.062 -10.706 1.00 0.00 C ATOM 0 H PHE A 42 -5.331 -10.487 -6.110 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.875 -7.977 -7.334 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.447 -10.571 -7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.881 -9.214 -8.204 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.165 -8.372 -9.918 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.756 -12.137 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.567 -9.160 -11.648 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.088 -12.871 -9.548 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.495 -11.386 -11.444 1.00 0.00 H new ATOM 715 N ASN A 43 -7.734 -6.897 -6.041 1.00 0.00 N ATOM 716 CA ASN A 43 -8.774 -6.200 -5.302 1.00 0.00 C ATOM 717 C ASN A 43 -10.091 -6.653 -5.898 1.00 0.00 C ATOM 718 O ASN A 43 -10.456 -6.184 -6.973 1.00 0.00 O ATOM 719 CB ASN A 43 -8.662 -4.674 -5.428 1.00 0.00 C ATOM 720 CG ASN A 43 -9.813 -4.023 -4.658 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.023 -4.346 -3.491 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.569 -3.129 -5.274 1.00 0.00 N ATOM 0 H ASN A 43 -7.302 -6.326 -6.767 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.687 -6.432 -4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.705 -4.333 -5.033 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.697 -4.380 -6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.346 -2.691 -4.780 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.374 -2.878 -6.243 1.00 0.00 H new ATOM 729 N ASP A 44 -10.750 -7.632 -5.284 1.00 0.00 N ATOM 730 CA ASP A 44 -11.996 -8.139 -5.841 1.00 0.00 C ATOM 731 C ASP A 44 -12.959 -8.508 -4.728 1.00 0.00 C ATOM 732 O ASP A 44 -13.965 -7.824 -4.529 1.00 0.00 O ATOM 733 CB ASP A 44 -11.714 -9.297 -6.807 1.00 0.00 C ATOM 734 CG ASP A 44 -12.673 -9.222 -7.982 1.00 0.00 C ATOM 735 OD1 ASP A 44 -13.877 -9.498 -7.789 1.00 0.00 O ATOM 736 OD2 ASP A 44 -12.216 -8.942 -9.109 1.00 0.00 O ATOM 0 H ASP A 44 -10.449 -8.081 -4.419 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.483 -7.358 -6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.684 -9.247 -7.161 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.828 -10.251 -6.291 1.00 0.00 H new ATOM 741 N GLU A 45 -12.641 -9.564 -3.980 1.00 0.00 N ATOM 742 CA GLU A 45 -13.472 -10.059 -2.892 1.00 0.00 C ATOM 743 C GLU A 45 -12.596 -10.829 -1.906 1.00 0.00 C ATOM 744 O GLU A 45 -12.422 -10.358 -0.778 1.00 0.00 O ATOM 745 CB GLU A 45 -14.655 -10.887 -3.432 1.00 0.00 C ATOM 746 CG GLU A 45 -14.328 -11.776 -4.645 1.00 0.00 C ATOM 747 CD GLU A 45 -15.251 -12.986 -4.809 1.00 0.00 C ATOM 748 OE1 GLU A 45 -16.454 -12.909 -4.483 1.00 0.00 O ATOM 749 OE2 GLU A 45 -14.733 -14.066 -5.195 1.00 0.00 O ATOM 0 H GLU A 45 -11.787 -10.104 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.921 -9.224 -2.354 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.033 -11.519 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.460 -10.206 -3.707 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -14.380 -11.169 -5.549 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.300 -12.128 -4.556 1.00 0.00 H new ATOM 756 N SER A 46 -11.978 -11.944 -2.330 1.00 0.00 N ATOM 757 CA SER A 46 -10.958 -12.640 -1.549 1.00 0.00 C ATOM 758 C SER A 46 -9.847 -11.676 -1.151 1.00 0.00 C ATOM 759 O SER A 46 -9.371 -11.759 -0.028 1.00 0.00 O ATOM 760 CB SER A 46 -10.360 -13.820 -2.331 1.00 0.00 C ATOM 761 OG SER A 46 -11.281 -14.887 -2.443 1.00 0.00 O ATOM 0 H SER A 46 -12.177 -12.384 -3.228 1.00 0.00 H new ATOM 0 HA SER A 46 -11.439 -13.031 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.065 -13.486 -3.326 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.456 -14.169 -1.831 1.00 0.00 H new ATOM 0 HG SER A 46 -10.871 -15.621 -2.947 1.00 0.00 H new ATOM 767 N GLY A 47 -9.482 -10.733 -2.023 1.00 0.00 N ATOM 768 CA GLY A 47 -8.378 -9.818 -1.817 1.00 0.00 C ATOM 769 C GLY A 47 -8.412 -9.186 -0.438 1.00 0.00 C ATOM 770 O GLY A 47 -7.535 -9.416 0.385 1.00 0.00 O ATOM 0 H GLY A 47 -9.963 -10.588 -2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.436 -10.351 -1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.410 -9.035 -2.575 1.00 0.00 H new ATOM 774 N LYS A 48 -9.463 -8.421 -0.168 1.00 0.00 N ATOM 775 CA LYS A 48 -9.641 -7.699 1.085 1.00 0.00 C ATOM 776 C LYS A 48 -9.754 -8.641 2.275 1.00 0.00 C ATOM 777 O LYS A 48 -9.219 -8.347 3.342 1.00 0.00 O ATOM 778 CB LYS A 48 -10.895 -6.830 0.950 1.00 0.00 C ATOM 779 CG LYS A 48 -10.531 -5.564 0.171 1.00 0.00 C ATOM 780 CD LYS A 48 -11.751 -4.842 -0.400 1.00 0.00 C ATOM 781 CE LYS A 48 -12.378 -3.877 0.611 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.611 -3.286 0.060 1.00 0.00 N ATOM 0 H LYS A 48 -10.230 -8.283 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.766 -7.078 1.274 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.682 -7.379 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.283 -6.570 1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.988 -4.884 0.827 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.857 -5.827 -0.644 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.459 -4.290 -1.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.495 -5.577 -0.708 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.603 -4.406 1.537 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.668 -3.088 0.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.558 -2.249 0.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.715 -3.566 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.431 -3.625 0.602 1.00 0.00 H new ATOM 796 N LYS A 49 -10.411 -9.794 2.109 1.00 0.00 N ATOM 797 CA LYS A 49 -10.451 -10.813 3.148 1.00 0.00 C ATOM 798 C LYS A 49 -9.021 -11.224 3.527 1.00 0.00 C ATOM 799 O LYS A 49 -8.732 -11.291 4.725 1.00 0.00 O ATOM 800 CB LYS A 49 -11.281 -12.016 2.666 1.00 0.00 C ATOM 801 CG LYS A 49 -12.781 -11.767 2.437 1.00 0.00 C ATOM 802 CD LYS A 49 -13.458 -13.021 1.848 1.00 0.00 C ATOM 803 CE LYS A 49 -14.858 -12.691 1.315 1.00 0.00 C ATOM 804 NZ LYS A 49 -15.468 -13.812 0.567 1.00 0.00 N ATOM 0 H LYS A 49 -10.922 -10.039 1.261 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.931 -10.413 4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.849 -12.377 1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -11.176 -12.818 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.258 -11.499 3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.915 -10.923 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -12.845 -13.426 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -13.529 -13.794 2.614 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.505 -12.423 2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -14.798 -11.818 0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -16.412 -13.532 0.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.868 -14.053 -0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -15.554 -14.640 1.191 1.00 0.00 H new ATOM 818 N SER A 50 -8.148 -11.426 2.534 1.00 0.00 N ATOM 819 CA SER A 50 -6.750 -11.787 2.695 1.00 0.00 C ATOM 820 C SER A 50 -5.967 -10.675 3.391 1.00 0.00 C ATOM 821 O SER A 50 -5.225 -11.000 4.309 1.00 0.00 O ATOM 822 CB SER A 50 -6.121 -12.142 1.338 1.00 0.00 C ATOM 823 OG SER A 50 -6.930 -13.072 0.643 1.00 0.00 O ATOM 0 H SER A 50 -8.417 -11.336 1.554 1.00 0.00 H new ATOM 0 HA SER A 50 -6.702 -12.670 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.000 -11.239 0.740 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.126 -12.560 1.490 1.00 0.00 H new ATOM 0 HG SER A 50 -7.714 -12.613 0.276 1.00 0.00 H new ATOM 829 N ILE A 51 -6.122 -9.396 3.005 1.00 0.00 N ATOM 830 CA ILE A 51 -5.355 -8.260 3.551 1.00 0.00 C ATOM 831 C ILE A 51 -5.372 -8.276 5.086 1.00 0.00 C ATOM 832 O ILE A 51 -4.335 -8.083 5.724 1.00 0.00 O ATOM 833 CB ILE A 51 -5.858 -6.901 2.994 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.614 -6.812 1.474 1.00 0.00 C ATOM 835 CG2 ILE A 51 -5.120 -5.732 3.669 1.00 0.00 C ATOM 836 CD1 ILE A 51 -6.017 -5.478 0.840 1.00 0.00 C ATOM 0 H ILE A 51 -6.796 -9.117 2.292 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.322 -8.375 3.223 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.926 -6.837 3.203 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.556 -6.987 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.166 -7.614 0.983 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.487 -4.788 3.265 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.299 -5.761 4.744 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.050 -5.818 3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.810 -5.506 -0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.082 -5.306 0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.447 -4.670 1.299 1.00 0.00 H new ATOM 848 N VAL A 52 -6.527 -8.515 5.702 1.00 0.00 N ATOM 849 CA VAL A 52 -6.663 -8.460 7.159 1.00 0.00 C ATOM 850 C VAL A 52 -5.835 -9.562 7.829 1.00 0.00 C ATOM 851 O VAL A 52 -5.309 -9.373 8.930 1.00 0.00 O ATOM 852 CB VAL A 52 -8.155 -8.565 7.504 1.00 0.00 C ATOM 853 CG1 VAL A 52 -8.443 -8.537 9.013 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.896 -7.400 6.840 1.00 0.00 C ATOM 0 H VAL A 52 -7.390 -8.751 5.212 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.275 -7.515 7.540 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.498 -9.531 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -9.517 -8.615 9.180 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -7.939 -9.374 9.495 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.077 -7.601 9.436 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.958 -7.462 7.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.496 -6.456 7.210 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.762 -7.452 5.760 1.00 0.00 H new ATOM 864 N LYS A 53 -5.688 -10.707 7.161 1.00 0.00 N ATOM 865 CA LYS A 53 -4.917 -11.834 7.649 1.00 0.00 C ATOM 866 C LYS A 53 -3.531 -11.880 6.985 1.00 0.00 C ATOM 867 O LYS A 53 -2.814 -12.873 7.130 1.00 0.00 O ATOM 868 CB LYS A 53 -5.731 -13.128 7.449 1.00 0.00 C ATOM 869 CG LYS A 53 -6.895 -13.305 8.446 1.00 0.00 C ATOM 870 CD LYS A 53 -8.280 -12.877 7.937 1.00 0.00 C ATOM 871 CE LYS A 53 -9.348 -12.990 9.043 1.00 0.00 C ATOM 872 NZ LYS A 53 -9.561 -14.374 9.531 1.00 0.00 N ATOM 0 H LYS A 53 -6.113 -10.873 6.249 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.729 -11.725 8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.131 -13.139 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.060 -13.983 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -6.944 -14.354 8.737 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -6.667 -12.735 9.347 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.235 -11.849 7.577 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.566 -13.499 7.089 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -9.056 -12.360 9.883 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.292 -12.599 8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.315 -14.377 10.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.837 -14.984 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.681 -14.733 9.953 1.00 0.00 H new ATOM 886 N GLU A 54 -3.132 -10.860 6.227 1.00 0.00 N ATOM 887 CA GLU A 54 -1.798 -10.720 5.674 1.00 0.00 C ATOM 888 C GLU A 54 -0.910 -10.171 6.792 1.00 0.00 C ATOM 889 O GLU A 54 -1.302 -10.129 7.964 1.00 0.00 O ATOM 890 CB GLU A 54 -1.857 -9.799 4.438 1.00 0.00 C ATOM 891 CG GLU A 54 -1.542 -10.514 3.122 1.00 0.00 C ATOM 892 CD GLU A 54 -0.053 -10.776 2.885 1.00 0.00 C ATOM 893 OE1 GLU A 54 0.781 -10.583 3.804 1.00 0.00 O ATOM 894 OE2 GLU A 54 0.303 -11.194 1.759 1.00 0.00 O ATOM 0 H GLU A 54 -3.751 -10.089 5.977 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.382 -11.668 5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.851 -9.357 4.372 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.152 -8.979 4.573 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.073 -11.466 3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.929 -9.917 2.296 1.00 0.00 H new ATOM 901 N ASN A 55 0.300 -9.752 6.452 1.00 0.00 N ATOM 902 CA ASN A 55 1.218 -9.077 7.356 1.00 0.00 C ATOM 903 C ASN A 55 1.729 -7.817 6.662 1.00 0.00 C ATOM 904 O ASN A 55 2.937 -7.640 6.509 1.00 0.00 O ATOM 905 CB ASN A 55 2.316 -10.073 7.743 1.00 0.00 C ATOM 906 CG ASN A 55 3.228 -9.610 8.872 1.00 0.00 C ATOM 907 OD1 ASN A 55 3.066 -8.550 9.472 1.00 0.00 O ATOM 908 ND2 ASN A 55 4.207 -10.429 9.208 1.00 0.00 N ATOM 0 H ASN A 55 0.680 -9.876 5.514 1.00 0.00 H new ATOM 0 HA ASN A 55 0.745 -8.752 8.283 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.848 -11.013 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.926 -10.280 6.864 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.837 -10.184 9.972 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.333 -11.307 8.704 1.00 0.00 H new ATOM 915 N VAL A 56 0.824 -6.978 6.147 1.00 0.00 N ATOM 916 CA VAL A 56 1.223 -5.700 5.550 1.00 0.00 C ATOM 917 C VAL A 56 1.604 -4.733 6.682 1.00 0.00 C ATOM 918 O VAL A 56 1.028 -4.801 7.767 1.00 0.00 O ATOM 919 CB VAL A 56 0.115 -5.105 4.655 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.690 -4.142 3.617 1.00 0.00 C ATOM 921 CG2 VAL A 56 -0.654 -6.127 3.807 1.00 0.00 C ATOM 0 H VAL A 56 -0.180 -7.158 6.131 1.00 0.00 H new ATOM 0 HA VAL A 56 2.081 -5.865 4.898 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.547 -4.635 5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.118 -3.742 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.200 -3.323 4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.398 -4.673 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.410 -5.612 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.039 -6.644 3.143 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.138 -6.852 4.461 1.00 0.00 H new ATOM 931 N ASN A 57 2.556 -3.835 6.432 1.00 0.00 N ATOM 932 CA ASN A 57 3.006 -2.817 7.383 1.00 0.00 C ATOM 933 C ASN A 57 2.338 -1.474 7.087 1.00 0.00 C ATOM 934 O ASN A 57 2.064 -0.707 8.009 1.00 0.00 O ATOM 935 CB ASN A 57 4.532 -2.719 7.338 1.00 0.00 C ATOM 936 CG ASN A 57 5.078 -2.220 8.662 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.162 -2.955 9.641 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.464 -0.968 8.711 1.00 0.00 N ATOM 0 H ASN A 57 3.049 -3.794 5.540 1.00 0.00 H new ATOM 0 HA ASN A 57 2.713 -3.103 8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.957 -3.696 7.109 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.834 -2.044 6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.844 -0.585 9.577 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.384 -0.377 7.884 1.00 0.00 H new ATOM 945 N ALA A 58 2.029 -1.192 5.814 1.00 0.00 N ATOM 946 CA ALA A 58 1.326 0.020 5.420 1.00 0.00 C ATOM 947 C ALA A 58 0.594 -0.151 4.081 1.00 0.00 C ATOM 948 O ALA A 58 0.917 -1.048 3.303 1.00 0.00 O ATOM 949 CB ALA A 58 2.319 1.191 5.360 1.00 0.00 C ATOM 0 H ALA A 58 2.263 -1.804 5.032 1.00 0.00 H new ATOM 0 HA ALA A 58 0.563 0.233 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.793 2.099 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.771 1.336 6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.099 0.970 4.631 1.00 0.00 H new ATOM 955 N ILE A 59 -0.373 0.716 3.790 1.00 0.00 N ATOM 956 CA ILE A 59 -1.047 0.839 2.500 1.00 0.00 C ATOM 957 C ILE A 59 -0.586 2.168 1.887 1.00 0.00 C ATOM 958 O ILE A 59 -0.785 3.196 2.532 1.00 0.00 O ATOM 959 CB ILE A 59 -2.578 0.849 2.735 1.00 0.00 C ATOM 960 CG1 ILE A 59 -3.071 -0.494 3.314 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.347 1.165 1.437 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.434 -0.377 4.013 1.00 0.00 C ATOM 0 H ILE A 59 -0.724 1.382 4.478 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.809 0.011 1.833 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.778 1.637 3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.142 -1.227 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.335 -0.870 4.024 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.418 1.164 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.049 2.146 1.067 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.119 0.409 0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.729 -1.352 4.400 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.361 0.333 4.837 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.180 -0.029 3.299 1.00 0.00 H new ATOM 974 N ILE A 60 -0.048 2.185 0.663 1.00 0.00 N ATOM 975 CA ILE A 60 0.103 3.396 -0.144 1.00 0.00 C ATOM 976 C ILE A 60 -1.038 3.386 -1.154 1.00 0.00 C ATOM 977 O ILE A 60 -1.079 2.508 -2.024 1.00 0.00 O ATOM 978 CB ILE A 60 1.470 3.452 -0.863 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.610 3.445 0.164 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.568 4.709 -1.749 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.018 3.353 -0.442 1.00 0.00 C ATOM 0 H ILE A 60 0.299 1.345 0.200 1.00 0.00 H new ATOM 0 HA ILE A 60 0.067 4.279 0.494 1.00 0.00 H new ATOM 0 HB ILE A 60 1.559 2.571 -1.499 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.546 4.353 0.764 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.465 2.604 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.538 4.729 -2.246 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.777 4.689 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.459 5.600 -1.130 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.759 3.354 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.107 2.432 -1.018 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.189 4.208 -1.097 1.00 0.00 H new ATOM 993 N CYS A 61 -1.961 4.344 -1.070 1.00 0.00 N ATOM 994 CA CYS A 61 -2.913 4.632 -2.139 1.00 0.00 C ATOM 995 C CYS A 61 -3.103 6.155 -2.240 1.00 0.00 C ATOM 996 O CYS A 61 -2.731 6.904 -1.342 1.00 0.00 O ATOM 997 CB CYS A 61 -4.244 3.886 -1.904 1.00 0.00 C ATOM 998 SG CYS A 61 -4.090 2.082 -1.817 1.00 0.00 S ATOM 0 H CYS A 61 -2.069 4.945 -0.253 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.525 4.272 -3.092 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -4.688 4.245 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.935 4.141 -2.707 1.00 0.00 H new ATOM 0 HG CYS A 61 -2.833 1.751 -1.857 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.696 6.633 -3.333 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.095 8.032 -3.520 1.00 0.00 C ATOM 1006 C LYS A 62 -5.252 8.401 -2.605 1.00 0.00 C ATOM 1007 O LYS A 62 -5.368 9.550 -2.200 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.594 8.244 -4.952 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.519 8.181 -6.033 1.00 0.00 C ATOM 1010 CD LYS A 62 -4.066 8.829 -7.309 1.00 0.00 C ATOM 1011 CE LYS A 62 -3.316 8.326 -8.538 1.00 0.00 C ATOM 1012 NZ LYS A 62 -3.625 9.143 -9.722 1.00 0.00 N ATOM 0 H LYS A 62 -3.919 6.044 -4.136 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.222 8.646 -3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.351 7.491 -5.171 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.086 9.215 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.619 8.700 -5.702 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.237 7.146 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.128 8.605 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.974 9.913 -7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.243 8.349 -8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.583 7.287 -8.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -3.182 8.718 -10.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.655 9.183 -9.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.256 10.106 -9.586 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.171 7.470 -2.365 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.414 7.741 -1.664 1.00 0.00 C ATOM 1028 C ASN A 63 -7.910 6.460 -1.040 1.00 0.00 C ATOM 1029 O ASN A 63 -7.512 5.366 -1.459 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.475 8.263 -2.638 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.555 9.771 -2.612 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -9.116 10.336 -1.674 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.034 10.419 -3.636 1.00 0.00 N ATOM 0 H ASN A 63 -6.069 6.498 -2.656 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.234 8.496 -0.898 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.240 7.927 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.446 7.841 -2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.086 11.437 -3.675 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.579 9.902 -4.389 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.806 6.619 -0.074 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.372 5.567 0.745 1.00 0.00 C ATOM 1042 C ILE A 64 -10.762 6.017 1.205 1.00 0.00 C ATOM 1043 O ILE A 64 -10.966 7.201 1.477 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.377 5.254 1.887 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.877 4.092 2.765 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -8.011 6.499 2.721 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.809 3.596 3.742 1.00 0.00 C ATOM 0 H ILE A 64 -9.174 7.539 0.168 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.517 4.632 0.204 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.450 4.931 1.414 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.755 4.415 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.192 3.267 2.126 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.310 6.217 3.507 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.551 7.247 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.913 6.914 3.171 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.213 2.777 4.337 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.940 3.246 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.512 4.412 4.401 1.00 0.00 H new ATOM 1059 N SER A 65 -11.712 5.080 1.269 1.00 0.00 N ATOM 1060 CA SER A 65 -13.054 5.341 1.772 1.00 0.00 C ATOM 1061 C SER A 65 -12.970 5.674 3.258 1.00 0.00 C ATOM 1062 O SER A 65 -12.085 5.180 3.959 1.00 0.00 O ATOM 1063 CB SER A 65 -13.947 4.115 1.543 1.00 0.00 C ATOM 1064 OG SER A 65 -15.308 4.471 1.576 1.00 0.00 O ATOM 0 H SER A 65 -11.566 4.116 0.971 1.00 0.00 H new ATOM 0 HA SER A 65 -13.492 6.185 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.709 3.662 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.745 3.365 2.308 1.00 0.00 H new ATOM 0 HG SER A 65 -15.858 3.674 1.426 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.948 6.428 3.756 1.00 0.00 N ATOM 1071 CA GLU A 66 -14.007 6.832 5.155 1.00 0.00 C ATOM 1072 C GLU A 66 -14.035 5.595 6.056 1.00 0.00 C ATOM 1073 O GLU A 66 -13.216 5.459 6.968 1.00 0.00 O ATOM 1074 CB GLU A 66 -15.241 7.720 5.380 1.00 0.00 C ATOM 1075 CG GLU A 66 -15.352 8.192 6.838 1.00 0.00 C ATOM 1076 CD GLU A 66 -16.744 8.737 7.137 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -16.974 9.925 6.826 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -17.589 7.985 7.674 1.00 0.00 O ATOM 0 H GLU A 66 -14.725 6.777 3.195 1.00 0.00 H new ATOM 0 HA GLU A 66 -13.119 7.410 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.189 8.587 4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -16.140 7.167 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.132 7.362 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.607 8.964 7.031 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.960 4.679 5.762 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.162 3.457 6.524 1.00 0.00 C ATOM 1087 C GLU A 67 -13.864 2.653 6.507 1.00 0.00 C ATOM 1088 O GLU A 67 -13.397 2.212 7.555 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.345 2.665 5.928 1.00 0.00 C ATOM 1090 CG GLU A 67 -17.296 2.096 6.996 1.00 0.00 C ATOM 1091 CD GLU A 67 -16.731 0.891 7.755 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -16.432 -0.144 7.116 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -16.632 0.955 9.001 1.00 0.00 O ATOM 0 H GLU A 67 -15.599 4.773 4.972 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.412 3.681 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.909 3.315 5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.957 1.845 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.535 2.883 7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -18.231 1.805 6.517 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.252 2.513 5.324 1.00 0.00 N ATOM 1101 CA ASN A 68 -12.045 1.717 5.134 1.00 0.00 C ATOM 1102 C ASN A 68 -10.854 2.313 5.869 1.00 0.00 C ATOM 1103 O ASN A 68 -10.044 1.556 6.388 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.687 1.537 3.655 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.590 0.531 2.955 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -13.037 -0.444 3.547 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.857 0.761 1.682 1.00 0.00 N ATOM 0 H ASN A 68 -13.588 2.955 4.468 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.271 0.737 5.554 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.758 2.499 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.651 1.209 3.573 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.452 0.117 1.161 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.468 1.583 1.220 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.728 3.634 5.959 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.652 4.250 6.723 1.00 0.00 C ATOM 1116 C TYR A 69 -9.743 3.815 8.181 1.00 0.00 C ATOM 1117 O TYR A 69 -8.824 3.183 8.702 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.734 5.768 6.586 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.574 6.473 7.247 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -8.540 6.664 8.640 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -7.503 6.908 6.456 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -7.425 7.266 9.245 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -6.402 7.542 7.043 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.359 7.730 8.439 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.274 8.335 8.991 1.00 0.00 O ATOM 0 H TYR A 69 -11.360 4.298 5.511 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.686 3.926 6.335 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.761 6.033 5.529 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.667 6.119 7.027 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -9.375 6.346 9.247 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -7.527 6.753 5.387 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -7.382 7.374 10.319 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.585 7.887 6.426 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.773 8.808 8.294 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.863 4.145 8.832 1.00 0.00 N ATOM 1136 CA LYS A 70 -11.075 3.912 10.260 1.00 0.00 C ATOM 1137 C LYS A 70 -11.108 2.401 10.558 1.00 0.00 C ATOM 1138 O LYS A 70 -10.848 1.965 11.682 1.00 0.00 O ATOM 1139 CB LYS A 70 -12.368 4.632 10.703 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.363 6.148 10.384 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.706 6.830 10.694 1.00 0.00 C ATOM 1142 CE LYS A 70 -13.865 8.181 9.974 1.00 0.00 C ATOM 1143 NZ LYS A 70 -13.136 9.312 10.593 1.00 0.00 N ATOM 0 H LYS A 70 -11.659 4.588 8.373 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.247 4.325 10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.222 4.167 10.211 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.504 4.494 11.776 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.574 6.632 10.959 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.123 6.292 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.521 6.168 10.401 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.791 6.984 11.770 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.524 8.069 8.945 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.925 8.431 9.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -13.303 10.177 10.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -13.475 9.453 11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.118 9.102 10.608 1.00 0.00 H new ATOM 1157 N LYS A 71 -11.390 1.581 9.542 1.00 0.00 N ATOM 1158 CA LYS A 71 -11.293 0.133 9.577 1.00 0.00 C ATOM 1159 C LYS A 71 -9.825 -0.279 9.622 1.00 0.00 C ATOM 1160 O LYS A 71 -9.388 -0.881 10.607 1.00 0.00 O ATOM 1161 CB LYS A 71 -12.040 -0.433 8.363 1.00 0.00 C ATOM 1162 CG LYS A 71 -12.037 -1.951 8.262 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.670 -2.593 9.494 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.135 -3.982 9.086 1.00 0.00 C ATOM 1165 NZ LYS A 71 -13.528 -4.776 10.254 1.00 0.00 N ATOM 0 H LYS A 71 -11.705 1.931 8.637 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.759 -0.276 10.474 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.073 -0.087 8.396 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.596 -0.022 7.457 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.581 -2.259 7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.013 -2.308 8.150 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -11.950 -2.652 10.310 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -13.509 -1.996 9.852 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.978 -3.899 8.400 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.336 -4.492 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.840 -5.718 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.716 -4.874 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.307 -4.299 10.752 1.00 0.00 H new ATOM 1179 N PHE A 72 -9.089 -0.019 8.541 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.782 -0.606 8.295 1.00 0.00 C ATOM 1181 C PHE A 72 -6.691 0.001 9.178 1.00 0.00 C ATOM 1182 O PHE A 72 -5.676 -0.661 9.382 1.00 0.00 O ATOM 1183 CB PHE A 72 -7.424 -0.517 6.800 1.00 0.00 C ATOM 1184 CG PHE A 72 -8.036 -1.645 5.979 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -7.319 -2.842 5.807 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -9.333 -1.546 5.436 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.895 -3.936 5.147 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.905 -2.633 4.750 1.00 0.00 C ATOM 1189 CZ PHE A 72 -9.189 -3.835 4.613 1.00 0.00 C ATOM 0 H PHE A 72 -9.394 0.616 7.803 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.840 -1.659 8.570 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.765 0.440 6.406 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -6.340 -0.539 6.689 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -6.312 -2.919 6.188 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.892 -0.629 5.547 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -7.342 -4.859 5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.895 -2.544 4.328 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.632 -4.676 4.100 1.00 0.00 H new ATOM 1199 N SER A 73 -6.888 1.184 9.768 1.00 0.00 N ATOM 1200 CA SER A 73 -5.895 1.889 10.581 1.00 0.00 C ATOM 1201 C SER A 73 -5.405 1.110 11.816 1.00 0.00 C ATOM 1202 O SER A 73 -4.450 1.529 12.475 1.00 0.00 O ATOM 1203 CB SER A 73 -6.492 3.244 10.979 1.00 0.00 C ATOM 1204 OG SER A 73 -7.707 3.059 11.674 1.00 0.00 O ATOM 0 H SER A 73 -7.769 1.692 9.690 1.00 0.00 H new ATOM 0 HA SER A 73 -4.998 2.013 9.975 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.786 3.790 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.663 3.849 10.089 1.00 0.00 H new ATOM 0 HG SER A 73 -8.451 3.050 11.036 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.027 -0.020 12.163 1.00 0.00 N ATOM 1211 CA LYS A 74 -5.583 -0.926 13.215 1.00 0.00 C ATOM 1212 C LYS A 74 -4.368 -1.716 12.741 1.00 0.00 C ATOM 1213 O LYS A 74 -4.526 -2.687 12.002 1.00 0.00 O ATOM 1214 CB LYS A 74 -6.715 -1.900 13.566 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.899 -1.227 14.275 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.655 -1.006 15.771 1.00 0.00 C ATOM 1217 CE LYS A 74 -7.680 -2.360 16.485 1.00 0.00 C ATOM 1218 NZ LYS A 74 -7.823 -2.217 17.941 1.00 0.00 N ATOM 0 H LYS A 74 -6.880 -0.336 11.702 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.314 -0.343 14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.071 -2.376 12.653 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.320 -2.690 14.205 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.102 -0.267 13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.790 -1.841 14.145 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.694 -0.516 15.927 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.420 -0.348 16.184 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.505 -2.958 16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.761 -2.903 16.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.835 -3.158 18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.023 -1.669 18.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.712 -1.722 18.156 1.00 0.00 H new ATOM 1232 N LYS A 75 -3.179 -1.359 13.229 1.00 0.00 N ATOM 1233 CA LYS A 75 -1.901 -2.051 13.008 1.00 0.00 C ATOM 1234 C LYS A 75 -1.394 -1.977 11.568 1.00 0.00 C ATOM 1235 O LYS A 75 -0.477 -2.704 11.182 1.00 0.00 O ATOM 1236 CB LYS A 75 -1.940 -3.508 13.493 1.00 0.00 C ATOM 1237 CG LYS A 75 -0.548 -3.952 13.993 1.00 0.00 C ATOM 1238 CD LYS A 75 -0.155 -5.340 13.479 1.00 0.00 C ATOM 1239 CE LYS A 75 1.342 -5.594 13.688 1.00 0.00 C ATOM 1240 NZ LYS A 75 1.781 -6.827 13.005 1.00 0.00 N ATOM 0 H LYS A 75 -3.072 -0.536 13.821 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.182 -1.503 13.616 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.670 -3.610 14.296 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.265 -4.159 12.681 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.198 -3.225 13.673 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.542 -3.957 15.083 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.734 -6.103 13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.398 -5.423 12.420 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.912 -4.745 13.311 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.554 -5.672 14.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.798 -6.970 13.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.253 -7.640 13.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.601 -6.741 11.984 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.007 -1.132 10.761 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.585 -0.823 9.412 1.00 0.00 C ATOM 1256 C ILE A 76 -1.550 0.696 9.376 1.00 0.00 C ATOM 1257 O ILE A 76 -2.396 1.363 9.985 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.546 -1.419 8.356 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -3.052 -2.839 8.714 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.849 -1.405 6.983 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -4.162 -3.328 7.782 1.00 0.00 C ATOM 0 H ILE A 76 -2.846 -0.623 11.040 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.617 -1.259 9.166 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.439 -0.795 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.216 -3.538 8.674 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.419 -2.840 9.740 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.518 -1.823 6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.596 -0.379 6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.939 -2.002 7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.475 -4.328 8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.012 -2.648 7.841 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.791 -3.357 6.758 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.575 1.251 8.672 1.00 0.00 N ATOM 1274 CA GLU A 77 -0.424 2.687 8.534 1.00 0.00 C ATOM 1275 C GLU A 77 -0.772 3.033 7.092 1.00 0.00 C ATOM 1276 O GLU A 77 -0.568 2.233 6.185 1.00 0.00 O ATOM 1277 CB GLU A 77 0.979 3.096 9.005 1.00 0.00 C ATOM 1278 CG GLU A 77 1.072 2.773 10.504 1.00 0.00 C ATOM 1279 CD GLU A 77 2.348 3.250 11.187 1.00 0.00 C ATOM 1280 OE1 GLU A 77 2.356 4.451 11.545 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.245 2.423 11.464 1.00 0.00 O ATOM 0 H GLU A 77 0.137 0.712 8.178 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.099 3.264 9.167 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.744 2.555 8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.148 4.158 8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.217 3.221 11.011 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.990 1.694 10.634 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.403 4.179 6.878 1.00 0.00 N ATOM 1289 CA ILE A 78 -2.079 4.472 5.619 1.00 0.00 C ATOM 1290 C ILE A 78 -1.456 5.740 5.066 1.00 0.00 C ATOM 1291 O ILE A 78 -1.507 6.776 5.725 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.612 4.553 5.824 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -4.143 3.311 6.585 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -4.298 4.689 4.455 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.666 3.242 6.741 1.00 0.00 C ATOM 0 H ILE A 78 -1.462 4.929 7.567 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.945 3.675 4.887 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.842 5.428 6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.806 2.415 6.064 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.691 3.292 7.577 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.378 4.746 4.593 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.947 5.595 3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.057 3.822 3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.935 2.337 7.286 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.015 4.115 7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.132 3.224 5.756 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.831 5.629 3.899 1.00 0.00 N ATOM 1308 CA TYR A 79 0.042 6.612 3.296 1.00 0.00 C ATOM 1309 C TYR A 79 -0.511 7.065 1.959 1.00 0.00 C ATOM 1310 O TYR A 79 -1.149 6.296 1.231 1.00 0.00 O ATOM 1311 CB TYR A 79 1.442 6.020 3.140 1.00 0.00 C ATOM 1312 CG TYR A 79 2.260 6.033 4.416 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.111 5.033 5.399 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.197 7.061 4.606 1.00 0.00 C ATOM 1315 CE1 TYR A 79 2.940 5.038 6.541 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.013 7.081 5.741 1.00 0.00 C ATOM 1317 CZ TYR A 79 3.906 6.062 6.709 1.00 0.00 C ATOM 1318 OH TYR A 79 4.729 6.083 7.794 1.00 0.00 O ATOM 0 H TYR A 79 -0.931 4.796 3.318 1.00 0.00 H new ATOM 0 HA TYR A 79 0.101 7.488 3.942 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.354 4.993 2.787 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.978 6.577 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.363 4.264 5.278 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.288 7.844 3.868 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.839 4.263 7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.727 7.880 5.877 1.00 0.00 H new ATOM 0 HH TYR A 79 5.325 6.858 7.737 1.00 0.00 H new ATOM 1328 N HIS A 80 -0.224 8.321 1.634 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.771 9.006 0.488 1.00 0.00 C ATOM 1330 C HIS A 80 0.227 8.904 -0.661 1.00 0.00 C ATOM 1331 O HIS A 80 1.365 9.358 -0.544 1.00 0.00 O ATOM 1332 CB HIS A 80 -1.102 10.456 0.868 1.00 0.00 C ATOM 1333 CG HIS A 80 -2.028 11.159 -0.100 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -2.411 12.480 -0.039 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.608 10.622 -1.218 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -3.189 12.724 -1.106 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.290 11.641 -1.890 1.00 0.00 N ATOM 0 H HIS A 80 0.414 8.899 2.181 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.703 8.547 0.159 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.557 10.465 1.859 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.173 11.021 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.549 9.589 -1.528 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.671 13.670 -1.307 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.766 11.574 -2.790 1.00 0.00 H new ATOM 1345 N ALA A 81 -0.195 8.281 -1.758 1.00 0.00 N ATOM 1346 CA ALA A 81 0.608 8.130 -2.964 1.00 0.00 C ATOM 1347 C ALA A 81 0.899 9.494 -3.600 1.00 0.00 C ATOM 1348 O ALA A 81 -0.038 10.228 -3.932 1.00 0.00 O ATOM 1349 CB ALA A 81 -0.122 7.234 -3.970 1.00 0.00 C ATOM 0 H ALA A 81 -1.121 7.860 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 81 1.556 7.668 -2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.485 7.126 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.292 6.253 -3.527 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.080 7.685 -4.231 1.00 0.00 H new ATOM 1355 N GLU A 82 2.175 9.810 -3.816 1.00 0.00 N ATOM 1356 CA GLU A 82 2.656 11.036 -4.425 1.00 0.00 C ATOM 1357 C GLU A 82 3.095 10.713 -5.841 1.00 0.00 C ATOM 1358 O GLU A 82 4.140 10.099 -6.066 1.00 0.00 O ATOM 1359 CB GLU A 82 3.819 11.610 -3.611 1.00 0.00 C ATOM 1360 CG GLU A 82 3.250 12.266 -2.360 1.00 0.00 C ATOM 1361 CD GLU A 82 4.276 12.991 -1.500 1.00 0.00 C ATOM 1362 OE1 GLU A 82 4.862 13.985 -1.982 1.00 0.00 O ATOM 1363 OE2 GLU A 82 4.399 12.628 -0.310 1.00 0.00 O ATOM 0 H GLU A 82 2.935 9.182 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 82 1.867 11.787 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.519 10.820 -3.340 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.374 12.338 -4.203 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.478 12.976 -2.657 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.763 11.501 -1.754 1.00 0.00 H new ATOM 1370 N GLY A 83 2.296 11.109 -6.825 1.00 0.00 N ATOM 1371 CA GLY A 83 2.541 10.745 -8.210 1.00 0.00 C ATOM 1372 C GLY A 83 1.915 9.403 -8.536 1.00 0.00 C ATOM 1373 O GLY A 83 1.300 8.734 -7.699 1.00 0.00 O ATOM 0 H GLY A 83 1.467 11.687 -6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.132 11.511 -8.869 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.614 10.705 -8.395 1.00 0.00 H new ATOM 1377 N ASP A 84 2.044 9.038 -9.799 1.00 0.00 N ATOM 1378 CA ASP A 84 1.515 7.826 -10.402 1.00 0.00 C ATOM 1379 C ASP A 84 2.710 6.999 -10.866 1.00 0.00 C ATOM 1380 O ASP A 84 2.634 6.247 -11.832 1.00 0.00 O ATOM 1381 CB ASP A 84 0.600 8.210 -11.570 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.776 8.738 -11.150 1.00 0.00 C ATOM 1383 OD1 ASP A 84 -0.895 9.596 -10.253 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.802 8.275 -11.707 1.00 0.00 O ATOM 0 H ASP A 84 2.551 9.613 -10.472 1.00 0.00 H new ATOM 0 HA ASP A 84 0.921 7.241 -9.699 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.099 8.970 -12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.461 7.338 -12.209 1.00 0.00 H new ATOM 1389 N ASP A 85 3.859 7.214 -10.228 1.00 0.00 N ATOM 1390 CA ASP A 85 5.082 6.471 -10.470 1.00 0.00 C ATOM 1391 C ASP A 85 5.297 5.565 -9.274 1.00 0.00 C ATOM 1392 O ASP A 85 5.627 6.040 -8.185 1.00 0.00 O ATOM 1393 CB ASP A 85 6.263 7.419 -10.648 1.00 0.00 C ATOM 1394 CG ASP A 85 7.467 6.700 -11.250 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.389 6.334 -12.442 1.00 0.00 O ATOM 1396 OD2 ASP A 85 8.521 6.611 -10.585 1.00 0.00 O ATOM 0 H ASP A 85 3.962 7.931 -9.510 1.00 0.00 H new ATOM 0 HA ASP A 85 5.002 5.886 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.972 8.248 -11.293 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.537 7.847 -9.684 1.00 0.00 H new ATOM 1401 N VAL A 86 5.054 4.273 -9.445 1.00 0.00 N ATOM 1402 CA VAL A 86 5.326 3.280 -8.414 1.00 0.00 C ATOM 1403 C VAL A 86 6.775 3.429 -7.941 1.00 0.00 C ATOM 1404 O VAL A 86 7.012 3.416 -6.736 1.00 0.00 O ATOM 1405 CB VAL A 86 5.019 1.869 -8.953 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.583 0.762 -8.050 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.505 1.671 -9.110 1.00 0.00 C ATOM 0 H VAL A 86 4.663 3.883 -10.302 1.00 0.00 H new ATOM 0 HA VAL A 86 4.680 3.438 -7.551 1.00 0.00 H new ATOM 0 HB VAL A 86 5.507 1.793 -9.924 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.340 -0.212 -8.474 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.666 0.867 -7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.144 0.845 -7.056 1.00 0.00 H new ATOM 0 HG21 VAL A 86 3.307 0.669 -9.492 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.020 1.793 -8.142 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.112 2.410 -9.808 1.00 0.00 H new ATOM 1417 N ASP A 87 7.733 3.624 -8.855 1.00 0.00 N ATOM 1418 CA ASP A 87 9.149 3.701 -8.501 1.00 0.00 C ATOM 1419 C ASP A 87 9.360 4.890 -7.567 1.00 0.00 C ATOM 1420 O ASP A 87 9.952 4.720 -6.500 1.00 0.00 O ATOM 1421 CB ASP A 87 10.061 3.772 -9.740 1.00 0.00 C ATOM 1422 CG ASP A 87 10.289 2.417 -10.405 1.00 0.00 C ATOM 1423 OD1 ASP A 87 11.165 1.642 -9.957 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.586 2.104 -11.393 1.00 0.00 O ATOM 0 H ASP A 87 7.547 3.732 -9.852 1.00 0.00 H new ATOM 0 HA ASP A 87 9.432 2.784 -7.985 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.621 4.455 -10.467 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.024 4.192 -9.449 1.00 0.00 H new ATOM 1429 N LYS A 88 8.806 6.063 -7.898 1.00 0.00 N ATOM 1430 CA LYS A 88 8.873 7.239 -7.041 1.00 0.00 C ATOM 1431 C LYS A 88 8.282 6.944 -5.664 1.00 0.00 C ATOM 1432 O LYS A 88 8.806 7.377 -4.643 1.00 0.00 O ATOM 1433 CB LYS A 88 8.145 8.414 -7.729 1.00 0.00 C ATOM 1434 CG LYS A 88 8.296 9.783 -7.045 1.00 0.00 C ATOM 1435 CD LYS A 88 9.715 10.036 -6.525 1.00 0.00 C ATOM 1436 CE LYS A 88 9.939 11.396 -5.871 1.00 0.00 C ATOM 1437 NZ LYS A 88 10.336 12.442 -6.827 1.00 0.00 N ATOM 0 H LYS A 88 8.300 6.217 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 88 9.916 7.515 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.513 8.497 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.084 8.174 -7.790 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.028 10.568 -7.752 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.593 9.848 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.963 9.259 -5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.412 9.932 -7.356 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.024 11.704 -5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.709 11.301 -5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.473 13.341 -6.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.225 12.168 -7.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.591 12.558 -7.544 1.00 0.00 H new ATOM 1451 N ASN A 89 7.166 6.224 -5.614 1.00 0.00 N ATOM 1452 CA ASN A 89 6.463 6.004 -4.358 1.00 0.00 C ATOM 1453 C ASN A 89 7.232 5.055 -3.453 1.00 0.00 C ATOM 1454 O ASN A 89 7.187 5.205 -2.235 1.00 0.00 O ATOM 1455 CB ASN A 89 5.046 5.503 -4.640 1.00 0.00 C ATOM 1456 CG ASN A 89 4.168 6.712 -4.904 1.00 0.00 C ATOM 1457 OD1 ASN A 89 3.441 7.164 -4.031 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.292 7.310 -6.073 1.00 0.00 N ATOM 0 H ASN A 89 6.731 5.785 -6.426 1.00 0.00 H new ATOM 0 HA ASN A 89 6.390 6.951 -3.824 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.042 4.834 -5.500 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.667 4.934 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.775 8.168 -6.264 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.905 6.914 -6.786 1.00 0.00 H new ATOM 1465 N ILE A 90 7.953 4.101 -4.036 1.00 0.00 N ATOM 1466 CA ILE A 90 8.790 3.161 -3.313 1.00 0.00 C ATOM 1467 C ILE A 90 9.961 3.946 -2.708 1.00 0.00 C ATOM 1468 O ILE A 90 10.201 3.813 -1.507 1.00 0.00 O ATOM 1469 CB ILE A 90 9.215 2.017 -4.264 1.00 0.00 C ATOM 1470 CG1 ILE A 90 8.017 1.147 -4.728 1.00 0.00 C ATOM 1471 CG2 ILE A 90 10.300 1.132 -3.627 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.326 0.421 -6.036 1.00 0.00 C ATOM 0 H ILE A 90 7.969 3.961 -5.046 1.00 0.00 H new ATOM 0 HA ILE A 90 8.261 2.680 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 90 9.629 2.498 -5.150 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.774 0.418 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 90 7.138 1.777 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.576 0.338 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 90 11.178 1.738 -3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.916 0.692 -2.707 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.465 -0.179 -6.331 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.544 1.152 -6.815 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.190 -0.229 -5.896 1.00 0.00 H new ATOM 1484 N SER A 91 10.677 4.758 -3.501 1.00 0.00 N ATOM 1485 CA SER A 91 11.840 5.492 -3.014 1.00 0.00 C ATOM 1486 C SER A 91 11.450 6.472 -1.902 1.00 0.00 C ATOM 1487 O SER A 91 12.137 6.526 -0.875 1.00 0.00 O ATOM 1488 CB SER A 91 12.578 6.169 -4.181 1.00 0.00 C ATOM 1489 OG SER A 91 11.722 6.888 -5.052 1.00 0.00 O ATOM 0 H SER A 91 10.464 4.919 -4.486 1.00 0.00 H new ATOM 0 HA SER A 91 12.539 4.787 -2.565 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.329 6.849 -3.779 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.110 5.409 -4.753 1.00 0.00 H new ATOM 0 HG SER A 91 10.834 6.967 -4.646 1.00 0.00 H new ATOM 1495 N LEU A 92 10.332 7.192 -2.070 1.00 0.00 N ATOM 1496 CA LEU A 92 9.829 8.124 -1.065 1.00 0.00 C ATOM 1497 C LEU A 92 9.499 7.372 0.227 1.00 0.00 C ATOM 1498 O LEU A 92 9.804 7.854 1.316 1.00 0.00 O ATOM 1499 CB LEU A 92 8.577 8.859 -1.580 1.00 0.00 C ATOM 1500 CG LEU A 92 8.819 9.930 -2.662 1.00 0.00 C ATOM 1501 CD1 LEU A 92 7.475 10.329 -3.286 1.00 0.00 C ATOM 1502 CD2 LEU A 92 9.483 11.187 -2.096 1.00 0.00 C ATOM 0 H LEU A 92 9.754 7.141 -2.909 1.00 0.00 H new ATOM 0 HA LEU A 92 10.604 8.863 -0.862 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.884 8.118 -1.979 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.084 9.333 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 92 9.488 9.498 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.640 11.087 -4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.009 9.453 -3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.820 10.731 -2.513 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.632 11.911 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.843 11.622 -1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.447 10.924 -1.660 1.00 0.00 H new ATOM 1514 N PHE A 93 8.856 6.204 0.132 1.00 0.00 N ATOM 1515 CA PHE A 93 8.451 5.425 1.295 1.00 0.00 C ATOM 1516 C PHE A 93 9.654 4.904 2.090 1.00 0.00 C ATOM 1517 O PHE A 93 9.688 5.039 3.316 1.00 0.00 O ATOM 1518 CB PHE A 93 7.563 4.268 0.837 1.00 0.00 C ATOM 1519 CG PHE A 93 7.204 3.341 1.974 1.00 0.00 C ATOM 1520 CD1 PHE A 93 6.422 3.812 3.045 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.727 2.037 2.001 1.00 0.00 C ATOM 1522 CE1 PHE A 93 6.132 2.967 4.128 1.00 0.00 C ATOM 1523 CE2 PHE A 93 7.416 1.188 3.071 1.00 0.00 C ATOM 1524 CZ PHE A 93 6.605 1.647 4.127 1.00 0.00 C ATOM 0 H PHE A 93 8.603 5.775 -0.758 1.00 0.00 H new ATOM 0 HA PHE A 93 7.892 6.077 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.651 4.666 0.393 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.077 3.704 0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.045 4.824 3.034 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.365 1.691 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.547 3.332 4.959 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.799 0.178 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.347 0.981 4.937 1.00 0.00 H new ATOM 1534 N ILE A 94 10.632 4.301 1.408 1.00 0.00 N ATOM 1535 CA ILE A 94 11.891 3.843 1.987 1.00 0.00 C ATOM 1536 C ILE A 94 12.569 4.989 2.763 1.00 0.00 C ATOM 1537 O ILE A 94 13.194 4.734 3.798 1.00 0.00 O ATOM 1538 CB ILE A 94 12.781 3.275 0.851 1.00 0.00 C ATOM 1539 CG1 ILE A 94 12.209 1.947 0.300 1.00 0.00 C ATOM 1540 CG2 ILE A 94 14.220 3.034 1.327 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.774 1.574 -1.077 1.00 0.00 C ATOM 0 H ILE A 94 10.564 4.114 0.408 1.00 0.00 H new ATOM 0 HA ILE A 94 11.717 3.045 2.709 1.00 0.00 H new ATOM 0 HB ILE A 94 12.788 4.024 0.059 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.426 1.144 1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.124 2.026 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.814 2.636 0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.654 3.975 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 94 14.216 2.320 2.150 1.00 0.00 H new ATOM 0 HD11 ILE A 94 12.334 0.633 -1.408 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.534 2.359 -1.794 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.856 1.464 -1.009 1.00 0.00 H new ATOM 1553 N GLU A 95 12.472 6.233 2.283 1.00 0.00 N ATOM 1554 CA GLU A 95 12.994 7.418 2.954 1.00 0.00 C ATOM 1555 C GLU A 95 12.065 7.964 4.041 1.00 0.00 C ATOM 1556 O GLU A 95 12.512 8.786 4.844 1.00 0.00 O ATOM 1557 CB GLU A 95 13.285 8.484 1.892 1.00 0.00 C ATOM 1558 CG GLU A 95 14.629 8.193 1.216 1.00 0.00 C ATOM 1559 CD GLU A 95 15.796 8.676 2.081 1.00 0.00 C ATOM 1560 OE1 GLU A 95 16.157 9.877 1.987 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.310 7.871 2.893 1.00 0.00 O ATOM 0 H GLU A 95 12.016 6.444 1.395 1.00 0.00 H new ATOM 0 HA GLU A 95 13.908 7.135 3.476 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.489 8.495 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.306 9.472 2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 95 14.725 7.122 1.035 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.665 8.685 0.244 1.00 0.00 H new ATOM 1568 N GLY A 96 10.812 7.515 4.121 1.00 0.00 N ATOM 1569 CA GLY A 96 9.822 7.975 5.089 1.00 0.00 C ATOM 1570 C GLY A 96 9.109 9.248 4.643 1.00 0.00 C ATOM 1571 O GLY A 96 8.319 9.806 5.406 1.00 0.00 O ATOM 0 H GLY A 96 10.449 6.798 3.493 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.085 7.188 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.312 8.154 6.046 1.00 0.00 H new ATOM 1575 N GLU A 97 9.388 9.728 3.432 1.00 0.00 N ATOM 1576 CA GLU A 97 8.978 11.038 2.957 1.00 0.00 C ATOM 1577 C GLU A 97 7.476 11.127 2.709 1.00 0.00 C ATOM 1578 O GLU A 97 6.922 12.218 2.832 1.00 0.00 O ATOM 1579 CB GLU A 97 9.770 11.406 1.692 1.00 0.00 C ATOM 1580 CG GLU A 97 10.741 12.577 1.928 1.00 0.00 C ATOM 1581 CD GLU A 97 10.448 13.739 0.984 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.637 14.628 1.339 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.040 13.743 -0.117 1.00 0.00 O ATOM 0 H GLU A 97 9.919 9.199 2.740 1.00 0.00 H new ATOM 0 HA GLU A 97 9.202 11.759 3.743 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.331 10.535 1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.075 11.669 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.661 12.916 2.961 1.00 0.00 H new ATOM 0 HG3 GLU A 97 11.766 12.237 1.782 1.00 0.00 H new ATOM 1590 N LEU A 98 6.808 10.008 2.399 1.00 0.00 N ATOM 1591 CA LEU A 98 5.370 10.031 2.129 1.00 0.00 C ATOM 1592 C LEU A 98 4.596 10.442 3.383 1.00 0.00 C ATOM 1593 O LEU A 98 4.952 10.078 4.508 1.00 0.00 O ATOM 1594 CB LEU A 98 4.855 8.669 1.631 1.00 0.00 C ATOM 1595 CG LEU A 98 5.335 8.238 0.235 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.672 6.905 -0.120 1.00 0.00 C ATOM 1597 CD2 LEU A 98 4.992 9.252 -0.864 1.00 0.00 C ATOM 0 H LEU A 98 7.238 9.086 2.330 1.00 0.00 H new ATOM 0 HA LEU A 98 5.205 10.764 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.154 7.905 2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.765 8.694 1.627 1.00 0.00 H new ATOM 0 HG LEU A 98 6.421 8.159 0.280 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.003 6.586 -1.108 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.951 6.152 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.589 7.026 -0.122 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.359 8.887 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 98 3.911 9.382 -0.914 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.462 10.209 -0.636 1.00 0.00 H new ATOM 1609 N SER A 99 3.496 11.164 3.186 1.00 0.00 N ATOM 1610 CA SER A 99 2.573 11.534 4.236 1.00 0.00 C ATOM 1611 C SER A 99 1.684 10.342 4.542 1.00 0.00 C ATOM 1612 O SER A 99 1.344 9.544 3.660 1.00 0.00 O ATOM 1613 CB SER A 99 1.714 12.700 3.760 1.00 0.00 C ATOM 1614 OG SER A 99 0.983 13.290 4.810 1.00 0.00 O ATOM 0 H SER A 99 3.222 11.512 2.267 1.00 0.00 H new ATOM 0 HA SER A 99 3.120 11.830 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.352 13.453 3.297 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.024 12.350 2.992 1.00 0.00 H new ATOM 0 HG SER A 99 0.312 12.655 5.139 1.00 0.00 H new ATOM 1620 N LYS A 100 1.221 10.285 5.783 1.00 0.00 N ATOM 1621 CA LYS A 100 0.102 9.446 6.173 1.00 0.00 C ATOM 1622 C LYS A 100 -1.168 10.197 5.786 1.00 0.00 C ATOM 1623 O LYS A 100 -1.265 11.394 6.043 1.00 0.00 O ATOM 1624 CB LYS A 100 0.189 9.119 7.668 1.00 0.00 C ATOM 1625 CG LYS A 100 1.323 8.101 7.888 1.00 0.00 C ATOM 1626 CD LYS A 100 1.661 7.783 9.348 1.00 0.00 C ATOM 1627 CE LYS A 100 0.529 7.149 10.154 1.00 0.00 C ATOM 1628 NZ LYS A 100 1.008 6.801 11.507 1.00 0.00 N ATOM 0 H LYS A 100 1.617 10.825 6.552 1.00 0.00 H new ATOM 0 HA LYS A 100 0.108 8.482 5.664 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.379 10.026 8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.758 8.711 8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.053 7.171 7.387 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.222 8.477 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.520 7.112 9.368 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.966 8.705 9.843 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.311 7.840 10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.166 6.255 9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.193 6.661 12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.566 5.925 11.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.602 7.572 11.874 1.00 0.00 H new ATOM 1642 N ILE A 101 -2.135 9.508 5.172 1.00 0.00 N ATOM 1643 CA ILE A 101 -3.431 10.096 4.843 1.00 0.00 C ATOM 1644 C ILE A 101 -4.030 10.571 6.170 1.00 0.00 C ATOM 1645 O ILE A 101 -4.023 9.838 7.171 1.00 0.00 O ATOM 1646 CB ILE A 101 -4.324 9.107 4.037 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.719 8.904 2.629 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.772 9.620 3.912 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.359 7.824 1.749 1.00 0.00 C ATOM 0 H ILE A 101 -2.039 8.532 4.892 1.00 0.00 H new ATOM 0 HA ILE A 101 -3.340 10.949 4.170 1.00 0.00 H new ATOM 0 HB ILE A 101 -4.353 8.159 4.574 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -3.774 9.853 2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.662 8.665 2.745 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -6.364 8.903 3.343 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.203 9.739 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.774 10.581 3.398 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.843 7.783 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.280 6.857 2.245 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.410 8.063 1.586 1.00 0.00 H new