USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 471 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 37 TYR OH : rot -10:sc= 0.615 USER MOD Set 1.2: A 39 GLN : amide:sc= -0.431 K(o=0.18,f=-1.3) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 160:sc= 0.987 (180deg=0.145) USER MOD Set 2.2: A 66 HIS : no HE2:sc= -6.09! C(o=-5.1!,f=-7.3!) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.103 (180deg=0) USER MOD Single : A 5 TYR OH : rot 15:sc= -1.06 USER MOD Single : A 10 HIS : no HD1:sc= -0.466 X(o=-0.47,f=-0.43) USER MOD Single : A 11 ASN : amide:sc= -0.0352 X(o=-0.035,f=-0.45) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -4.26! C(o=-4.3!,f=-4.1!) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.404 (180deg=-1.74!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 29 THR OG1 : rot -53:sc= 0.261 USER MOD Single : A 31 ASN : amide:sc= -2.21 X(o=-2.2,f=-1.7) USER MOD Single : A 35 SER OG : rot 36:sc= 0.898 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN :FLIP amide:sc= -1.58 F(o=-5.3!,f=-1.6) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.8) USER MOD Single : A 64 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.343) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.016 -0.452 0.478 1.00 0.00 N ATOM 2 CA ALA A 1 2.320 -0.305 -0.940 1.00 0.00 C ATOM 3 C ALA A 1 2.321 -1.657 -1.644 1.00 0.00 C ATOM 4 O ALA A 1 1.966 -2.676 -1.051 1.00 0.00 O ATOM 5 CB ALA A 1 3.662 0.389 -1.123 1.00 0.00 C ATOM 0 H1 ALA A 1 1.165 0.099 0.709 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.849 -1.455 0.695 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.817 -0.104 1.043 1.00 0.00 H new ATOM 0 HA ALA A 1 1.541 0.310 -1.392 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.876 0.492 -2.187 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.627 1.376 -0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.446 -0.204 -0.651 1.00 0.00 H new ATOM 11 N ARG A 2 2.721 -1.659 -2.911 1.00 0.00 N ATOM 12 CA ARG A 2 2.766 -2.887 -3.697 1.00 0.00 C ATOM 13 C ARG A 2 3.817 -2.790 -4.798 1.00 0.00 C ATOM 14 O ARG A 2 4.102 -1.704 -5.305 1.00 0.00 O ATOM 15 CB ARG A 2 1.394 -3.175 -4.310 1.00 0.00 C ATOM 16 CG ARG A 2 0.597 -1.923 -4.635 1.00 0.00 C ATOM 17 CD ARG A 2 -0.827 -2.261 -5.048 1.00 0.00 C ATOM 18 NE ARG A 2 -0.959 -2.398 -6.496 1.00 0.00 N ATOM 19 CZ ARG A 2 -0.695 -3.521 -7.155 1.00 0.00 C ATOM 20 NH1 ARG A 2 -0.286 -4.598 -6.499 1.00 0.00 N ATOM 21 NH2 ARG A 2 -0.839 -3.567 -8.474 1.00 0.00 N ATOM 0 H ARG A 2 3.019 -0.824 -3.416 1.00 0.00 H new ATOM 0 HA ARG A 2 3.038 -3.706 -3.031 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.528 -3.757 -5.222 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.819 -3.792 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.579 -1.266 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.090 -1.375 -5.438 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.133 -3.190 -4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.502 -1.481 -4.695 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.271 -1.587 -7.031 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.173 -4.566 -5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.084 -5.459 -7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.152 -2.740 -8.982 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -0.636 -4.429 -8.979 1.00 0.00 H new ATOM 35 N ASP A 3 4.392 -3.931 -5.162 1.00 0.00 N ATOM 36 CA ASP A 3 5.412 -3.975 -6.204 1.00 0.00 C ATOM 37 C ASP A 3 4.777 -4.164 -7.578 1.00 0.00 C ATOM 38 O ASP A 3 3.920 -5.026 -7.763 1.00 0.00 O ATOM 39 CB ASP A 3 6.405 -5.105 -5.927 1.00 0.00 C ATOM 40 CG ASP A 3 6.917 -5.089 -4.500 1.00 0.00 C ATOM 41 OD1 ASP A 3 6.485 -4.211 -3.724 1.00 0.00 O ATOM 42 OD2 ASP A 3 7.748 -5.956 -4.159 1.00 0.00 O ATOM 0 H ASP A 3 4.169 -4.838 -4.751 1.00 0.00 H new ATOM 0 HA ASP A 3 5.945 -3.024 -6.198 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.926 -6.063 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.248 -5.021 -6.613 1.00 0.00 H new ATOM 47 N ALA A 4 5.204 -3.350 -8.538 1.00 0.00 N ATOM 48 CA ALA A 4 4.679 -3.428 -9.896 1.00 0.00 C ATOM 49 C ALA A 4 5.420 -2.474 -10.827 1.00 0.00 C ATOM 50 O ALA A 4 6.342 -1.774 -10.408 1.00 0.00 O ATOM 51 CB ALA A 4 3.188 -3.124 -9.903 1.00 0.00 C ATOM 0 H ALA A 4 5.912 -2.629 -8.400 1.00 0.00 H new ATOM 0 HA ALA A 4 4.834 -4.443 -10.261 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.809 -3.186 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.666 -3.848 -9.277 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.020 -2.120 -9.513 1.00 0.00 H new ATOM 57 N TYR A 5 5.011 -2.453 -12.090 1.00 0.00 N ATOM 58 CA TYR A 5 5.638 -1.587 -13.082 1.00 0.00 C ATOM 59 C TYR A 5 5.036 -0.186 -13.041 1.00 0.00 C ATOM 60 O TYR A 5 3.815 -0.023 -13.040 1.00 0.00 O ATOM 61 CB TYR A 5 5.480 -2.181 -14.482 1.00 0.00 C ATOM 62 CG TYR A 5 5.754 -3.667 -14.544 1.00 0.00 C ATOM 63 CD1 TYR A 5 4.730 -4.590 -14.370 1.00 0.00 C ATOM 64 CD2 TYR A 5 7.037 -4.148 -14.775 1.00 0.00 C ATOM 65 CE1 TYR A 5 4.976 -5.948 -14.425 1.00 0.00 C ATOM 66 CE2 TYR A 5 7.292 -5.504 -14.833 1.00 0.00 C ATOM 67 CZ TYR A 5 6.258 -6.401 -14.657 1.00 0.00 C ATOM 68 OH TYR A 5 6.508 -7.753 -14.713 1.00 0.00 O ATOM 0 H TYR A 5 4.248 -3.025 -12.452 1.00 0.00 H new ATOM 0 HA TYR A 5 6.699 -1.514 -12.843 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.466 -1.992 -14.835 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.157 -1.667 -15.164 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.725 -4.240 -14.189 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.849 -3.449 -14.912 1.00 0.00 H new ATOM 0 HE1 TYR A 5 4.168 -6.652 -14.287 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.295 -5.861 -15.015 1.00 0.00 H new ATOM 0 HH TYR A 5 5.662 -8.238 -14.808 1.00 0.00 H new ATOM 78 N ILE A 6 5.901 0.822 -13.007 1.00 0.00 N ATOM 79 CA ILE A 6 5.455 2.209 -12.967 1.00 0.00 C ATOM 80 C ILE A 6 4.943 2.661 -14.330 1.00 0.00 C ATOM 81 O ILE A 6 5.446 2.231 -15.368 1.00 0.00 O ATOM 82 CB ILE A 6 6.588 3.152 -12.519 1.00 0.00 C ATOM 83 CG1 ILE A 6 6.168 4.612 -12.701 1.00 0.00 C ATOM 84 CG2 ILE A 6 7.860 2.860 -13.301 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.936 5.575 -11.823 1.00 0.00 C ATOM 0 H ILE A 6 6.914 0.704 -13.006 1.00 0.00 H new ATOM 0 HA ILE A 6 4.643 2.259 -12.241 1.00 0.00 H new ATOM 0 HB ILE A 6 6.787 2.980 -11.461 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.307 4.894 -13.745 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.104 4.705 -12.485 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.651 3.534 -12.973 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.166 1.829 -13.126 1.00 0.00 H new ATOM 0 HG23 ILE A 6 7.675 3.008 -14.365 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.586 6.591 -12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.777 5.318 -10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.999 5.510 -12.055 1.00 0.00 H new ATOM 97 N ALA A 7 3.939 3.532 -14.320 1.00 0.00 N ATOM 98 CA ALA A 7 3.360 4.046 -15.555 1.00 0.00 C ATOM 99 C ALA A 7 4.154 5.238 -16.079 1.00 0.00 C ATOM 100 O ALA A 7 4.952 5.833 -15.355 1.00 0.00 O ATOM 101 CB ALA A 7 1.906 4.434 -15.335 1.00 0.00 C ATOM 0 H ALA A 7 3.510 3.896 -13.470 1.00 0.00 H new ATOM 0 HA ALA A 7 3.404 3.256 -16.304 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.487 4.816 -16.266 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.340 3.559 -15.014 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.847 5.205 -14.567 1.00 0.00 H new ATOM 107 N LYS A 8 3.931 5.581 -17.343 1.00 0.00 N ATOM 108 CA LYS A 8 4.625 6.703 -17.966 1.00 0.00 C ATOM 109 C LYS A 8 3.715 7.422 -18.957 1.00 0.00 C ATOM 110 O LYS A 8 2.638 6.942 -19.310 1.00 0.00 O ATOM 111 CB LYS A 8 5.889 6.216 -18.678 1.00 0.00 C ATOM 112 CG LYS A 8 5.789 6.260 -20.193 1.00 0.00 C ATOM 113 CD LYS A 8 7.088 5.824 -20.850 1.00 0.00 C ATOM 114 CE LYS A 8 7.085 6.122 -22.342 1.00 0.00 C ATOM 115 NZ LYS A 8 6.858 7.567 -22.618 1.00 0.00 N ATOM 0 H LYS A 8 3.275 5.098 -17.957 1.00 0.00 H new ATOM 0 HA LYS A 8 4.906 7.406 -17.181 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.733 6.828 -18.360 1.00 0.00 H new ATOM 0 HB3 LYS A 8 6.101 5.193 -18.366 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.977 5.612 -20.524 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.540 7.272 -20.513 1.00 0.00 H new ATOM 0 HD2 LYS A 8 7.926 6.336 -20.377 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.237 4.756 -20.691 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.037 5.814 -22.776 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.308 5.533 -22.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.190 7.794 -23.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.843 7.779 -22.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.382 8.139 -21.926 1.00 0.00 H new ATOM 129 N PRO A 9 4.158 8.601 -19.419 1.00 0.00 N ATOM 130 CA PRO A 9 3.400 9.411 -20.377 1.00 0.00 C ATOM 131 C PRO A 9 3.352 8.775 -21.763 1.00 0.00 C ATOM 132 O PRO A 9 4.336 8.799 -22.502 1.00 0.00 O ATOM 133 CB PRO A 9 4.176 10.729 -20.421 1.00 0.00 C ATOM 134 CG PRO A 9 5.565 10.364 -20.025 1.00 0.00 C ATOM 135 CD PRO A 9 5.432 9.235 -19.041 1.00 0.00 C ATOM 0 HA PRO A 9 2.358 9.524 -20.079 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.151 11.170 -21.418 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.749 11.463 -19.737 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.151 10.059 -20.892 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.079 11.214 -19.576 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.266 8.537 -19.115 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.411 9.598 -18.013 1.00 0.00 H new ATOM 143 N HIS A 10 2.201 8.207 -22.109 1.00 0.00 N ATOM 144 CA HIS A 10 1.053 8.195 -21.208 1.00 0.00 C ATOM 145 C HIS A 10 0.451 6.797 -21.115 1.00 0.00 C ATOM 146 O HIS A 10 0.066 6.207 -22.124 1.00 0.00 O ATOM 147 CB HIS A 10 -0.006 9.189 -21.685 1.00 0.00 C ATOM 148 CG HIS A 10 0.155 10.561 -21.106 1.00 0.00 C ATOM 149 ND1 HIS A 10 -0.614 11.032 -20.063 1.00 0.00 N ATOM 150 CD2 HIS A 10 1.005 11.563 -21.429 1.00 0.00 C ATOM 151 CE1 HIS A 10 -0.245 12.267 -19.771 1.00 0.00 C ATOM 152 NE2 HIS A 10 0.736 12.613 -20.585 1.00 0.00 N ATOM 0 H HIS A 10 2.038 7.749 -23.006 1.00 0.00 H new ATOM 0 HA HIS A 10 1.397 8.490 -20.216 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.034 9.256 -22.772 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.993 8.808 -21.425 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.755 11.541 -22.206 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.673 12.888 -18.998 1.00 0.00 H new ATOM 0 HE2 HIS A 10 1.216 13.513 -20.587 1.00 0.00 H new ATOM 160 N ASN A 11 0.373 6.271 -19.897 1.00 0.00 N ATOM 161 CA ASN A 11 -0.181 4.941 -19.672 1.00 0.00 C ATOM 162 C ASN A 11 0.746 3.864 -20.228 1.00 0.00 C ATOM 163 O ASN A 11 0.319 2.741 -20.498 1.00 0.00 O ATOM 164 CB ASN A 11 -1.563 4.825 -20.320 1.00 0.00 C ATOM 165 CG ASN A 11 -2.455 3.829 -19.605 1.00 0.00 C ATOM 166 OD1 ASN A 11 -2.911 4.077 -18.488 1.00 0.00 O ATOM 167 ND2 ASN A 11 -2.708 2.695 -20.247 1.00 0.00 N ATOM 0 H ASN A 11 0.687 6.746 -19.050 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.278 4.792 -18.597 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -2.044 5.803 -20.322 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.449 4.524 -21.361 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -3.302 1.986 -19.816 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.309 2.532 -21.171 1.00 0.00 H new ATOM 174 N CYS A 12 2.016 4.214 -20.396 1.00 0.00 N ATOM 175 CA CYS A 12 3.005 3.279 -20.919 1.00 0.00 C ATOM 176 C CYS A 12 3.968 2.836 -19.822 1.00 0.00 C ATOM 177 O CYS A 12 3.948 3.366 -18.711 1.00 0.00 O ATOM 178 CB CYS A 12 3.785 3.920 -22.069 1.00 0.00 C ATOM 179 SG CYS A 12 3.079 3.596 -23.717 1.00 0.00 S ATOM 0 H CYS A 12 2.385 5.139 -20.177 1.00 0.00 H new ATOM 0 HA CYS A 12 2.477 2.401 -21.291 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.828 4.997 -21.909 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.811 3.554 -22.047 1.00 0.00 H new ATOM 184 N VAL A 13 4.811 1.859 -20.141 1.00 0.00 N ATOM 185 CA VAL A 13 5.783 1.344 -19.184 1.00 0.00 C ATOM 186 C VAL A 13 7.119 2.066 -19.316 1.00 0.00 C ATOM 187 O VAL A 13 7.442 2.609 -20.372 1.00 0.00 O ATOM 188 CB VAL A 13 6.009 -0.168 -19.372 1.00 0.00 C ATOM 189 CG1 VAL A 13 4.750 -0.834 -19.907 1.00 0.00 C ATOM 190 CG2 VAL A 13 7.190 -0.419 -20.297 1.00 0.00 C ATOM 0 H VAL A 13 4.840 1.408 -21.055 1.00 0.00 H new ATOM 0 HA VAL A 13 5.373 1.522 -18.190 1.00 0.00 H new ATOM 0 HB VAL A 13 6.238 -0.607 -18.401 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.929 -1.902 -20.033 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.932 -0.684 -19.203 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.486 -0.394 -20.869 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.335 -1.492 -20.419 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.993 0.033 -21.269 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.089 0.022 -19.867 1.00 0.00 H new ATOM 200 N TYR A 14 7.893 2.068 -18.236 1.00 0.00 N ATOM 201 CA TYR A 14 9.194 2.726 -18.229 1.00 0.00 C ATOM 202 C TYR A 14 10.305 1.738 -18.573 1.00 0.00 C ATOM 203 O TYR A 14 10.805 1.023 -17.706 1.00 0.00 O ATOM 204 CB TYR A 14 9.463 3.357 -16.862 1.00 0.00 C ATOM 205 CG TYR A 14 8.996 4.790 -16.754 1.00 0.00 C ATOM 206 CD1 TYR A 14 9.490 5.769 -17.608 1.00 0.00 C ATOM 207 CD2 TYR A 14 8.060 5.167 -15.798 1.00 0.00 C ATOM 208 CE1 TYR A 14 9.067 7.080 -17.513 1.00 0.00 C ATOM 209 CE2 TYR A 14 7.630 6.476 -15.697 1.00 0.00 C ATOM 210 CZ TYR A 14 8.136 7.429 -16.556 1.00 0.00 C ATOM 211 OH TYR A 14 7.711 8.734 -16.458 1.00 0.00 O ATOM 0 H TYR A 14 7.642 1.621 -17.354 1.00 0.00 H new ATOM 0 HA TYR A 14 9.181 3.509 -18.987 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.968 2.763 -16.094 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.533 3.316 -16.656 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.218 5.500 -18.359 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.662 4.424 -15.123 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.463 7.828 -18.184 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.901 6.752 -14.949 1.00 0.00 H new ATOM 0 HH TYR A 14 7.054 8.811 -15.735 1.00 0.00 H new ATOM 221 N GLU A 15 10.686 1.706 -19.847 1.00 0.00 N ATOM 222 CA GLU A 15 11.737 0.807 -20.306 1.00 0.00 C ATOM 223 C GLU A 15 13.078 1.168 -19.672 1.00 0.00 C ATOM 224 O GLU A 15 13.435 2.342 -19.574 1.00 0.00 O ATOM 225 CB GLU A 15 11.852 0.858 -21.831 1.00 0.00 C ATOM 226 CG GLU A 15 12.392 2.177 -22.357 1.00 0.00 C ATOM 227 CD GLU A 15 12.558 2.180 -23.865 1.00 0.00 C ATOM 228 OE1 GLU A 15 12.088 3.140 -24.510 1.00 0.00 O ATOM 229 OE2 GLU A 15 13.157 1.223 -24.398 1.00 0.00 O ATOM 0 H GLU A 15 10.282 2.292 -20.578 1.00 0.00 H new ATOM 0 HA GLU A 15 11.472 -0.206 -20.002 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.503 0.050 -22.165 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.870 0.677 -22.267 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.717 2.983 -22.068 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.354 2.384 -21.889 1.00 0.00 H new ATOM 236 N CYS A 16 13.815 0.149 -19.242 1.00 0.00 N ATOM 237 CA CYS A 16 15.115 0.357 -18.616 1.00 0.00 C ATOM 238 C CYS A 16 16.212 0.488 -19.670 1.00 0.00 C ATOM 239 O CYS A 16 16.053 0.040 -20.806 1.00 0.00 O ATOM 240 CB CYS A 16 15.439 -0.800 -17.669 1.00 0.00 C ATOM 241 SG CYS A 16 15.905 -2.345 -18.515 1.00 0.00 S ATOM 0 H CYS A 16 13.534 -0.829 -19.316 1.00 0.00 H new ATOM 0 HA CYS A 16 15.071 1.284 -18.045 1.00 0.00 H new ATOM 0 HB2 CYS A 16 16.254 -0.499 -17.010 1.00 0.00 H new ATOM 0 HB3 CYS A 16 14.572 -0.992 -17.037 1.00 0.00 H new ATOM 246 N TYR A 17 17.323 1.105 -19.285 1.00 0.00 N ATOM 247 CA TYR A 17 18.445 1.298 -20.196 1.00 0.00 C ATOM 248 C TYR A 17 19.482 0.192 -20.025 1.00 0.00 C ATOM 249 O TYR A 17 20.139 -0.211 -20.984 1.00 0.00 O ATOM 250 CB TYR A 17 19.095 2.662 -19.957 1.00 0.00 C ATOM 251 CG TYR A 17 20.494 2.774 -20.519 1.00 0.00 C ATOM 252 CD1 TYR A 17 21.606 2.587 -19.707 1.00 0.00 C ATOM 253 CD2 TYR A 17 20.704 3.066 -21.861 1.00 0.00 C ATOM 254 CE1 TYR A 17 22.887 2.689 -20.216 1.00 0.00 C ATOM 255 CE2 TYR A 17 21.980 3.168 -22.379 1.00 0.00 C ATOM 256 CZ TYR A 17 23.068 2.978 -21.553 1.00 0.00 C ATOM 257 OH TYR A 17 24.342 3.080 -22.064 1.00 0.00 O ATOM 0 H TYR A 17 17.471 1.480 -18.348 1.00 0.00 H new ATOM 0 HA TYR A 17 18.062 1.259 -21.216 1.00 0.00 H new ATOM 0 HB2 TYR A 17 18.470 3.436 -20.403 1.00 0.00 H new ATOM 0 HB3 TYR A 17 19.127 2.857 -18.885 1.00 0.00 H new ATOM 0 HD1 TYR A 17 21.467 2.358 -18.661 1.00 0.00 H new ATOM 0 HD2 TYR A 17 19.854 3.216 -22.511 1.00 0.00 H new ATOM 0 HE1 TYR A 17 23.741 2.543 -19.571 1.00 0.00 H new ATOM 0 HE2 TYR A 17 22.125 3.395 -23.425 1.00 0.00 H new ATOM 0 HH TYR A 17 24.295 3.287 -23.021 1.00 0.00 H new ATOM 267 N ASN A 18 19.621 -0.295 -18.797 1.00 0.00 N ATOM 268 CA ASN A 18 20.577 -1.355 -18.499 1.00 0.00 C ATOM 269 C ASN A 18 20.151 -2.140 -17.262 1.00 0.00 C ATOM 270 O ASN A 18 19.557 -1.601 -16.328 1.00 0.00 O ATOM 271 CB ASN A 18 21.974 -0.767 -18.287 1.00 0.00 C ATOM 272 CG ASN A 18 23.072 -1.706 -18.746 1.00 0.00 C ATOM 273 OD1 ASN A 18 23.896 -2.153 -17.947 1.00 0.00 O ATOM 274 ND2 ASN A 18 23.089 -2.011 -20.038 1.00 0.00 N ATOM 0 H ASN A 18 19.084 0.027 -17.992 1.00 0.00 H new ATOM 0 HA ASN A 18 20.602 -2.036 -19.350 1.00 0.00 H new ATOM 0 HB2 ASN A 18 22.055 0.175 -18.829 1.00 0.00 H new ATOM 0 HB3 ASN A 18 22.113 -0.539 -17.230 1.00 0.00 H new ATOM 0 HD21 ASN A 18 23.805 -2.639 -20.404 1.00 0.00 H new ATOM 0 HD22 ASN A 18 22.387 -1.618 -20.664 1.00 0.00 H new ATOM 281 N PRO A 19 20.462 -3.445 -17.253 1.00 0.00 N ATOM 282 CA PRO A 19 20.122 -4.332 -16.136 1.00 0.00 C ATOM 283 C PRO A 19 20.939 -4.028 -14.885 1.00 0.00 C ATOM 284 O PRO A 19 20.451 -4.165 -13.763 1.00 0.00 O ATOM 285 CB PRO A 19 20.464 -5.724 -16.672 1.00 0.00 C ATOM 286 CG PRO A 19 21.502 -5.485 -17.714 1.00 0.00 C ATOM 287 CD PRO A 19 21.170 -4.155 -18.331 1.00 0.00 C ATOM 0 HA PRO A 19 19.082 -4.221 -15.830 1.00 0.00 H new ATOM 0 HB2 PRO A 19 20.840 -6.372 -15.880 1.00 0.00 H new ATOM 0 HB3 PRO A 19 19.585 -6.213 -17.093 1.00 0.00 H new ATOM 0 HG2 PRO A 19 22.500 -5.474 -17.276 1.00 0.00 H new ATOM 0 HG3 PRO A 19 21.492 -6.276 -18.464 1.00 0.00 H new ATOM 0 HD2 PRO A 19 22.068 -3.621 -18.642 1.00 0.00 H new ATOM 0 HD3 PRO A 19 20.544 -4.268 -19.216 1.00 0.00 H new ATOM 295 N LYS A 20 22.186 -3.614 -15.084 1.00 0.00 N ATOM 296 CA LYS A 20 23.072 -3.288 -13.972 1.00 0.00 C ATOM 297 C LYS A 20 23.033 -1.794 -13.666 1.00 0.00 C ATOM 298 O LYS A 20 23.981 -1.240 -13.110 1.00 0.00 O ATOM 299 CB LYS A 20 24.505 -3.717 -14.293 1.00 0.00 C ATOM 300 CG LYS A 20 24.833 -5.129 -13.838 1.00 0.00 C ATOM 301 CD LYS A 20 24.873 -5.231 -12.322 1.00 0.00 C ATOM 302 CE LYS A 20 26.256 -4.910 -11.778 1.00 0.00 C ATOM 303 NZ LYS A 20 26.499 -3.442 -11.709 1.00 0.00 N ATOM 0 H LYS A 20 22.606 -3.496 -16.006 1.00 0.00 H new ATOM 0 HA LYS A 20 22.726 -3.830 -13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 20 24.665 -3.644 -15.369 1.00 0.00 H new ATOM 0 HB3 LYS A 20 25.198 -3.021 -13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 20 24.088 -5.821 -14.231 1.00 0.00 H new ATOM 0 HG3 LYS A 20 25.796 -5.430 -14.249 1.00 0.00 H new ATOM 0 HD2 LYS A 20 24.143 -4.546 -11.891 1.00 0.00 H new ATOM 0 HD3 LYS A 20 24.585 -6.237 -12.016 1.00 0.00 H new ATOM 0 HE2 LYS A 20 26.364 -5.343 -10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 20 27.012 -5.374 -12.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 27.124 -3.231 -10.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 26.949 -3.123 -12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 25.594 -2.946 -11.583 1.00 0.00 H new ATOM 317 N GLY A 21 21.931 -1.148 -14.031 1.00 0.00 N ATOM 318 CA GLY A 21 21.790 0.276 -13.786 1.00 0.00 C ATOM 319 C GLY A 21 20.664 0.589 -12.820 1.00 0.00 C ATOM 320 O GLY A 21 19.572 0.030 -12.926 1.00 0.00 O ATOM 0 H GLY A 21 21.133 -1.585 -14.492 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.726 0.667 -13.387 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.607 0.788 -14.731 1.00 0.00 H new ATOM 324 N SER A 22 20.930 1.484 -11.874 1.00 0.00 N ATOM 325 CA SER A 22 19.932 1.866 -10.881 1.00 0.00 C ATOM 326 C SER A 22 19.003 2.943 -11.432 1.00 0.00 C ATOM 327 O SER A 22 18.412 3.715 -10.676 1.00 0.00 O ATOM 328 CB SER A 22 20.615 2.368 -9.608 1.00 0.00 C ATOM 329 OG SER A 22 21.266 3.607 -9.832 1.00 0.00 O ATOM 0 H SER A 22 21.828 1.958 -11.774 1.00 0.00 H new ATOM 0 HA SER A 22 19.337 0.985 -10.642 1.00 0.00 H new ATOM 0 HB2 SER A 22 19.875 2.481 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 22 21.340 1.630 -9.265 1.00 0.00 H new ATOM 0 HG SER A 22 21.693 3.907 -9.002 1.00 0.00 H new ATOM 335 N TYR A 23 18.879 2.989 -12.754 1.00 0.00 N ATOM 336 CA TYR A 23 18.024 3.973 -13.408 1.00 0.00 C ATOM 337 C TYR A 23 16.573 3.812 -12.967 1.00 0.00 C ATOM 338 O TYR A 23 15.929 4.773 -12.545 1.00 0.00 O ATOM 339 CB TYR A 23 18.126 3.838 -14.928 1.00 0.00 C ATOM 340 CG TYR A 23 17.857 5.128 -15.670 1.00 0.00 C ATOM 341 CD1 TYR A 23 18.709 5.562 -16.678 1.00 0.00 C ATOM 342 CD2 TYR A 23 16.753 5.913 -15.362 1.00 0.00 C ATOM 343 CE1 TYR A 23 18.468 6.740 -17.359 1.00 0.00 C ATOM 344 CE2 TYR A 23 16.504 7.091 -16.038 1.00 0.00 C ATOM 345 CZ TYR A 23 17.364 7.501 -17.035 1.00 0.00 C ATOM 346 OH TYR A 23 17.120 8.675 -17.710 1.00 0.00 O ATOM 0 H TYR A 23 19.360 2.356 -13.394 1.00 0.00 H new ATOM 0 HA TYR A 23 18.365 4.966 -13.115 1.00 0.00 H new ATOM 0 HB2 TYR A 23 19.123 3.481 -15.187 1.00 0.00 H new ATOM 0 HB3 TYR A 23 17.419 3.080 -15.265 1.00 0.00 H new ATOM 0 HD1 TYR A 23 19.574 4.969 -16.934 1.00 0.00 H new ATOM 0 HD2 TYR A 23 16.078 5.597 -14.581 1.00 0.00 H new ATOM 0 HE1 TYR A 23 19.140 7.063 -18.140 1.00 0.00 H new ATOM 0 HE2 TYR A 23 15.640 7.688 -15.787 1.00 0.00 H new ATOM 0 HH TYR A 23 16.303 9.089 -17.361 1.00 0.00 H new ATOM 356 N CYS A 24 16.063 2.589 -13.068 1.00 0.00 N ATOM 357 CA CYS A 24 14.688 2.298 -12.681 1.00 0.00 C ATOM 358 C CYS A 24 14.473 2.569 -11.194 1.00 0.00 C ATOM 359 O CYS A 24 13.443 3.110 -10.794 1.00 0.00 O ATOM 360 CB CYS A 24 14.343 0.843 -13.001 1.00 0.00 C ATOM 361 SG CYS A 24 12.681 0.335 -12.454 1.00 0.00 S ATOM 0 H CYS A 24 16.582 1.783 -13.415 1.00 0.00 H new ATOM 0 HA CYS A 24 14.030 2.954 -13.251 1.00 0.00 H new ATOM 0 HB2 CYS A 24 14.422 0.690 -14.077 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.082 0.194 -12.532 1.00 0.00 H new ATOM 366 N ASN A 25 15.453 2.188 -10.381 1.00 0.00 N ATOM 367 CA ASN A 25 15.371 2.389 -8.939 1.00 0.00 C ATOM 368 C ASN A 25 15.094 3.853 -8.609 1.00 0.00 C ATOM 369 O ASN A 25 14.099 4.176 -7.960 1.00 0.00 O ATOM 370 CB ASN A 25 16.670 1.940 -8.266 1.00 0.00 C ATOM 371 CG ASN A 25 16.444 1.432 -6.855 1.00 0.00 C ATOM 372 OD1 ASN A 25 16.594 0.242 -6.580 1.00 0.00 O ATOM 373 ND2 ASN A 25 16.080 2.336 -5.953 1.00 0.00 N ATOM 0 H ASN A 25 16.313 1.739 -10.696 1.00 0.00 H new ATOM 0 HA ASN A 25 14.546 1.787 -8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 25 17.132 1.154 -8.863 1.00 0.00 H new ATOM 0 HB3 ASN A 25 17.371 2.775 -8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.913 2.054 -4.987 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.968 3.312 -6.226 1.00 0.00 H new ATOM 380 N ASP A 26 15.981 4.733 -9.060 1.00 0.00 N ATOM 381 CA ASP A 26 15.832 6.163 -8.814 1.00 0.00 C ATOM 382 C ASP A 26 14.474 6.659 -9.300 1.00 0.00 C ATOM 383 O ASP A 26 13.720 7.277 -8.546 1.00 0.00 O ATOM 384 CB ASP A 26 16.952 6.941 -9.508 1.00 0.00 C ATOM 385 CG ASP A 26 18.297 6.741 -8.837 1.00 0.00 C ATOM 386 OD1 ASP A 26 19.031 7.738 -8.671 1.00 0.00 O ATOM 387 OD2 ASP A 26 18.615 5.589 -8.478 1.00 0.00 O ATOM 0 H ASP A 26 16.811 4.482 -9.598 1.00 0.00 H new ATOM 0 HA ASP A 26 15.896 6.331 -7.739 1.00 0.00 H new ATOM 0 HB2 ASP A 26 17.018 6.626 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.705 8.003 -9.511 1.00 0.00 H new ATOM 392 N LEU A 27 14.168 6.387 -10.564 1.00 0.00 N ATOM 393 CA LEU A 27 12.901 6.807 -11.152 1.00 0.00 C ATOM 394 C LEU A 27 11.722 6.263 -10.350 1.00 0.00 C ATOM 395 O LEU A 27 10.708 6.941 -10.180 1.00 0.00 O ATOM 396 CB LEU A 27 12.807 6.332 -12.603 1.00 0.00 C ATOM 397 CG LEU A 27 11.403 6.013 -13.116 1.00 0.00 C ATOM 398 CD1 LEU A 27 10.496 7.227 -12.978 1.00 0.00 C ATOM 399 CD2 LEU A 27 11.457 5.547 -14.563 1.00 0.00 C ATOM 0 H LEU A 27 14.780 5.877 -11.201 1.00 0.00 H new ATOM 0 HA LEU A 27 12.861 7.896 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.240 7.100 -13.244 1.00 0.00 H new ATOM 0 HB3 LEU A 27 13.423 5.440 -12.713 1.00 0.00 H new ATOM 0 HG LEU A 27 10.990 5.206 -12.511 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.501 6.981 -13.348 1.00 0.00 H new ATOM 0 HD12 LEU A 27 10.432 7.516 -11.929 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.905 8.054 -13.558 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.448 5.324 -14.911 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.890 6.333 -15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.072 4.650 -14.634 1.00 0.00 H new ATOM 411 N CYS A 28 11.863 5.037 -9.859 1.00 0.00 N ATOM 412 CA CYS A 28 10.812 4.402 -9.073 1.00 0.00 C ATOM 413 C CYS A 28 10.566 5.166 -7.775 1.00 0.00 C ATOM 414 O CYS A 28 9.431 5.523 -7.457 1.00 0.00 O ATOM 415 CB CYS A 28 11.185 2.951 -8.761 1.00 0.00 C ATOM 416 SG CYS A 28 10.710 1.765 -10.060 1.00 0.00 S ATOM 0 H CYS A 28 12.695 4.463 -9.992 1.00 0.00 H new ATOM 0 HA CYS A 28 9.895 4.416 -9.661 1.00 0.00 H new ATOM 0 HB2 CYS A 28 12.262 2.890 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.709 2.658 -7.825 1.00 0.00 H new ATOM 421 N THR A 29 11.638 5.413 -7.029 1.00 0.00 N ATOM 422 CA THR A 29 11.539 6.134 -5.766 1.00 0.00 C ATOM 423 C THR A 29 11.024 7.552 -5.980 1.00 0.00 C ATOM 424 O THR A 29 10.450 8.157 -5.075 1.00 0.00 O ATOM 425 CB THR A 29 12.900 6.197 -5.047 1.00 0.00 C ATOM 426 OG1 THR A 29 13.612 7.373 -5.449 1.00 0.00 O ATOM 427 CG2 THR A 29 13.734 4.963 -5.358 1.00 0.00 C ATOM 0 H THR A 29 12.584 5.125 -7.277 1.00 0.00 H new ATOM 0 HA THR A 29 10.832 5.585 -5.144 1.00 0.00 H new ATOM 0 HB THR A 29 12.717 6.232 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.666 7.405 -6.427 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.690 5.030 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.203 4.071 -5.025 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.907 4.902 -6.432 1.00 0.00 H new ATOM 435 N GLU A 30 11.232 8.077 -7.184 1.00 0.00 N ATOM 436 CA GLU A 30 10.788 9.425 -7.516 1.00 0.00 C ATOM 437 C GLU A 30 9.279 9.560 -7.338 1.00 0.00 C ATOM 438 O GLU A 30 8.760 10.662 -7.163 1.00 0.00 O ATOM 439 CB GLU A 30 11.176 9.774 -8.954 1.00 0.00 C ATOM 440 CG GLU A 30 11.292 11.268 -9.208 1.00 0.00 C ATOM 441 CD GLU A 30 9.949 11.921 -9.469 1.00 0.00 C ATOM 442 OE1 GLU A 30 9.608 12.883 -8.748 1.00 0.00 O ATOM 443 OE2 GLU A 30 9.240 11.472 -10.393 1.00 0.00 O ATOM 0 H GLU A 30 11.705 7.589 -7.945 1.00 0.00 H new ATOM 0 HA GLU A 30 11.280 10.120 -6.836 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.128 9.299 -9.190 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.434 9.355 -9.633 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.762 11.744 -8.347 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.947 11.438 -10.063 1.00 0.00 H new ATOM 450 N ASN A 31 8.580 8.431 -7.385 1.00 0.00 N ATOM 451 CA ASN A 31 7.130 8.422 -7.230 1.00 0.00 C ATOM 452 C ASN A 31 6.734 7.942 -5.837 1.00 0.00 C ATOM 453 O ASN A 31 5.613 7.483 -5.622 1.00 0.00 O ATOM 454 CB ASN A 31 6.488 7.526 -8.291 1.00 0.00 C ATOM 455 CG ASN A 31 6.737 8.029 -9.700 1.00 0.00 C ATOM 456 OD1 ASN A 31 5.799 8.339 -10.435 1.00 0.00 O ATOM 457 ND2 ASN A 31 8.006 8.113 -10.082 1.00 0.00 N ATOM 0 H ASN A 31 8.994 7.510 -7.529 1.00 0.00 H new ATOM 0 HA ASN A 31 6.770 9.443 -7.359 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.881 6.514 -8.195 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.414 7.469 -8.113 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.236 8.445 -11.019 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.751 7.845 -9.439 1.00 0.00 H new ATOM 464 N GLY A 32 7.664 8.052 -4.892 1.00 0.00 N ATOM 465 CA GLY A 32 7.394 7.626 -3.532 1.00 0.00 C ATOM 466 C GLY A 32 7.602 6.137 -3.339 1.00 0.00 C ATOM 467 O GLY A 32 7.095 5.552 -2.382 1.00 0.00 O ATOM 0 H GLY A 32 8.599 8.429 -5.045 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.043 8.172 -2.848 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.367 7.883 -3.271 1.00 0.00 H new ATOM 471 N ALA A 33 8.348 5.522 -4.250 1.00 0.00 N ATOM 472 CA ALA A 33 8.622 4.092 -4.175 1.00 0.00 C ATOM 473 C ALA A 33 9.820 3.810 -3.276 1.00 0.00 C ATOM 474 O ALA A 33 10.742 4.619 -3.183 1.00 0.00 O ATOM 475 CB ALA A 33 8.860 3.527 -5.568 1.00 0.00 C ATOM 0 H ALA A 33 8.774 5.992 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 33 7.751 3.602 -3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 33 9.063 2.458 -5.497 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.974 3.688 -6.182 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.713 4.029 -6.024 1.00 0.00 H new ATOM 481 N GLU A 34 9.800 2.656 -2.615 1.00 0.00 N ATOM 482 CA GLU A 34 10.885 2.269 -1.721 1.00 0.00 C ATOM 483 C GLU A 34 12.114 1.835 -2.515 1.00 0.00 C ATOM 484 O GLU A 34 13.248 2.014 -2.070 1.00 0.00 O ATOM 485 CB GLU A 34 10.435 1.135 -0.798 1.00 0.00 C ATOM 486 CG GLU A 34 11.089 1.171 0.573 1.00 0.00 C ATOM 487 CD GLU A 34 10.728 2.416 1.359 1.00 0.00 C ATOM 488 OE1 GLU A 34 9.520 2.660 1.563 1.00 0.00 O ATOM 489 OE2 GLU A 34 11.653 3.148 1.771 1.00 0.00 O ATOM 0 H GLU A 34 9.045 1.974 -2.682 1.00 0.00 H new ATOM 0 HA GLU A 34 11.151 3.136 -1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.353 1.184 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.659 0.180 -1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.788 0.289 1.138 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.172 1.121 0.456 1.00 0.00 H new ATOM 496 N SER A 35 11.880 1.264 -3.692 1.00 0.00 N ATOM 497 CA SER A 35 12.967 0.800 -4.546 1.00 0.00 C ATOM 498 C SER A 35 12.482 0.588 -5.977 1.00 0.00 C ATOM 499 O SER A 35 11.305 0.780 -6.279 1.00 0.00 O ATOM 500 CB SER A 35 13.556 -0.501 -3.997 1.00 0.00 C ATOM 501 OG SER A 35 14.570 -0.239 -3.043 1.00 0.00 O ATOM 0 H SER A 35 10.947 1.112 -4.076 1.00 0.00 H new ATOM 0 HA SER A 35 13.742 1.567 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.766 -1.096 -3.539 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.967 -1.092 -4.816 1.00 0.00 H new ATOM 0 HG SER A 35 14.329 0.553 -2.518 1.00 0.00 H new ATOM 507 N GLY A 36 13.399 0.191 -6.854 1.00 0.00 N ATOM 508 CA GLY A 36 13.046 -0.040 -8.242 1.00 0.00 C ATOM 509 C GLY A 36 14.200 -0.605 -9.047 1.00 0.00 C ATOM 510 O GLY A 36 15.364 -0.386 -8.714 1.00 0.00 O ATOM 0 H GLY A 36 14.380 0.025 -6.628 1.00 0.00 H new ATOM 0 HA2 GLY A 36 12.202 -0.729 -8.289 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.718 0.897 -8.691 1.00 0.00 H new ATOM 514 N TYR A 37 13.876 -1.335 -10.109 1.00 0.00 N ATOM 515 CA TYR A 37 14.895 -1.938 -10.961 1.00 0.00 C ATOM 516 C TYR A 37 14.297 -2.383 -12.292 1.00 0.00 C ATOM 517 O TYR A 37 13.078 -2.429 -12.454 1.00 0.00 O ATOM 518 CB TYR A 37 15.541 -3.131 -10.254 1.00 0.00 C ATOM 519 CG TYR A 37 14.586 -4.276 -10.004 1.00 0.00 C ATOM 520 CD1 TYR A 37 14.347 -5.234 -10.982 1.00 0.00 C ATOM 521 CD2 TYR A 37 13.921 -4.399 -8.790 1.00 0.00 C ATOM 522 CE1 TYR A 37 13.475 -6.281 -10.758 1.00 0.00 C ATOM 523 CE2 TYR A 37 13.049 -5.444 -8.557 1.00 0.00 C ATOM 524 CZ TYR A 37 12.828 -6.382 -9.543 1.00 0.00 C ATOM 525 OH TYR A 37 11.959 -7.424 -9.315 1.00 0.00 O ATOM 0 H TYR A 37 12.917 -1.523 -10.400 1.00 0.00 H new ATOM 0 HA TYR A 37 15.659 -1.186 -11.160 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.376 -3.490 -10.855 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.954 -2.798 -9.302 1.00 0.00 H new ATOM 0 HD1 TYR A 37 14.852 -5.158 -11.934 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.089 -3.665 -8.016 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.300 -7.017 -11.529 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.542 -5.526 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 37 11.797 -7.905 -10.154 1.00 0.00 H new ATOM 535 N CYS A 38 15.166 -2.711 -13.243 1.00 0.00 N ATOM 536 CA CYS A 38 14.727 -3.153 -14.561 1.00 0.00 C ATOM 537 C CYS A 38 14.204 -4.586 -14.507 1.00 0.00 C ATOM 538 O CYS A 38 14.930 -5.508 -14.140 1.00 0.00 O ATOM 539 CB CYS A 38 15.879 -3.056 -15.564 1.00 0.00 C ATOM 540 SG CYS A 38 15.511 -3.788 -17.191 1.00 0.00 S ATOM 0 H CYS A 38 16.179 -2.679 -13.125 1.00 0.00 H new ATOM 0 HA CYS A 38 13.916 -2.501 -14.885 1.00 0.00 H new ATOM 0 HB2 CYS A 38 16.141 -2.007 -15.700 1.00 0.00 H new ATOM 0 HB3 CYS A 38 16.755 -3.551 -15.144 1.00 0.00 H new ATOM 545 N GLN A 39 12.939 -4.762 -14.877 1.00 0.00 N ATOM 546 CA GLN A 39 12.319 -6.081 -14.871 1.00 0.00 C ATOM 547 C GLN A 39 12.168 -6.619 -16.290 1.00 0.00 C ATOM 548 O GLN A 39 11.664 -5.927 -17.175 1.00 0.00 O ATOM 549 CB GLN A 39 10.952 -6.022 -14.187 1.00 0.00 C ATOM 550 CG GLN A 39 10.377 -7.390 -13.857 1.00 0.00 C ATOM 551 CD GLN A 39 10.578 -7.772 -12.404 1.00 0.00 C ATOM 552 OE1 GLN A 39 11.587 -8.379 -12.043 1.00 0.00 O ATOM 553 NE2 GLN A 39 9.615 -7.419 -11.560 1.00 0.00 N ATOM 0 H GLN A 39 12.325 -4.008 -15.184 1.00 0.00 H new ATOM 0 HA GLN A 39 12.968 -6.757 -14.314 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.040 -5.443 -13.268 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.254 -5.490 -14.834 1.00 0.00 H new ATOM 0 HG2 GLN A 39 9.311 -7.397 -14.087 1.00 0.00 H new ATOM 0 HG3 GLN A 39 10.845 -8.140 -14.494 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.796 -6.917 -11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 39 9.695 -7.650 -10.570 1.00 0.00 H new ATOM 562 N ILE A 40 12.609 -7.854 -16.500 1.00 0.00 N ATOM 563 CA ILE A 40 12.522 -8.484 -17.811 1.00 0.00 C ATOM 564 C ILE A 40 11.268 -9.344 -17.926 1.00 0.00 C ATOM 565 O ILE A 40 10.672 -9.452 -18.999 1.00 0.00 O ATOM 566 CB ILE A 40 13.758 -9.357 -18.100 1.00 0.00 C ATOM 567 CG1 ILE A 40 15.035 -8.629 -17.673 1.00 0.00 C ATOM 568 CG2 ILE A 40 13.818 -9.719 -19.576 1.00 0.00 C ATOM 569 CD1 ILE A 40 15.236 -8.591 -16.174 1.00 0.00 C ATOM 0 H ILE A 40 13.031 -8.439 -15.778 1.00 0.00 H new ATOM 0 HA ILE A 40 12.476 -7.679 -18.545 1.00 0.00 H new ATOM 0 HB ILE A 40 13.676 -10.278 -17.523 1.00 0.00 H new ATOM 0 HG12 ILE A 40 15.893 -9.117 -18.134 1.00 0.00 H new ATOM 0 HG13 ILE A 40 15.006 -7.608 -18.054 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.697 -10.336 -19.764 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.920 -10.273 -19.852 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.880 -8.808 -20.172 1.00 0.00 H new ATOM 0 HD11 ILE A 40 16.160 -8.060 -15.944 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.396 -8.077 -15.707 1.00 0.00 H new ATOM 0 HD13 ILE A 40 15.297 -9.609 -15.789 1.00 0.00 H new ATOM 581 N LEU A 41 10.872 -9.953 -16.815 1.00 0.00 N ATOM 582 CA LEU A 41 9.686 -10.803 -16.789 1.00 0.00 C ATOM 583 C LEU A 41 8.414 -9.963 -16.802 1.00 0.00 C ATOM 584 O LEU A 41 7.508 -10.177 -15.998 1.00 0.00 O ATOM 585 CB LEU A 41 9.705 -11.702 -15.551 1.00 0.00 C ATOM 586 CG LEU A 41 9.065 -13.081 -15.713 1.00 0.00 C ATOM 587 CD1 LEU A 41 7.548 -12.967 -15.721 1.00 0.00 C ATOM 588 CD2 LEU A 41 9.558 -13.752 -16.986 1.00 0.00 C ATOM 0 H LEU A 41 11.354 -9.875 -15.920 1.00 0.00 H new ATOM 0 HA LEU A 41 9.697 -11.427 -17.683 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.741 -11.839 -15.242 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.196 -11.181 -14.740 1.00 0.00 H new ATOM 0 HG LEU A 41 9.358 -13.699 -14.864 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.109 -13.958 -15.837 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.211 -12.529 -14.782 1.00 0.00 H new ATOM 0 HD13 LEU A 41 7.235 -12.332 -16.550 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.092 -14.732 -17.085 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.295 -13.137 -17.847 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.641 -13.868 -16.940 1.00 0.00 H new ATOM 600 N GLY A 42 8.351 -9.007 -17.724 1.00 0.00 N ATOM 601 CA GLY A 42 7.184 -8.150 -17.827 1.00 0.00 C ATOM 602 C GLY A 42 6.270 -8.550 -18.967 1.00 0.00 C ATOM 603 O GLY A 42 6.734 -8.899 -20.053 1.00 0.00 O ATOM 0 H GLY A 42 9.088 -8.811 -18.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.628 -8.185 -16.890 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.506 -7.118 -17.968 1.00 0.00 H new ATOM 607 N LYS A 43 4.965 -8.503 -18.722 1.00 0.00 N ATOM 608 CA LYS A 43 3.981 -8.864 -19.736 1.00 0.00 C ATOM 609 C LYS A 43 4.202 -8.065 -21.016 1.00 0.00 C ATOM 610 O LYS A 43 3.821 -8.499 -22.104 1.00 0.00 O ATOM 611 CB LYS A 43 2.564 -8.623 -19.210 1.00 0.00 C ATOM 612 CG LYS A 43 1.492 -8.732 -20.280 1.00 0.00 C ATOM 613 CD LYS A 43 0.098 -8.619 -19.686 1.00 0.00 C ATOM 614 CE LYS A 43 -0.974 -8.668 -20.764 1.00 0.00 C ATOM 615 NZ LYS A 43 -1.323 -10.067 -21.136 1.00 0.00 N ATOM 0 H LYS A 43 4.564 -8.218 -17.829 1.00 0.00 H new ATOM 0 HA LYS A 43 4.102 -9.923 -19.964 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.351 -9.343 -18.420 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.516 -7.632 -18.759 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.637 -7.947 -21.023 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.591 -9.685 -20.800 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.062 -9.430 -18.975 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.013 -7.686 -19.130 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.867 -8.152 -20.412 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.625 -8.134 -21.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.057 -10.057 -21.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.476 -10.552 -21.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.680 -10.570 -20.299 1.00 0.00 H new ATOM 629 N TYR A 44 4.819 -6.896 -20.880 1.00 0.00 N ATOM 630 CA TYR A 44 5.089 -6.036 -22.026 1.00 0.00 C ATOM 631 C TYR A 44 6.588 -5.940 -22.294 1.00 0.00 C ATOM 632 O TYR A 44 7.063 -4.975 -22.891 1.00 0.00 O ATOM 633 CB TYR A 44 4.511 -4.640 -21.790 1.00 0.00 C ATOM 634 CG TYR A 44 3.292 -4.633 -20.896 1.00 0.00 C ATOM 635 CD1 TYR A 44 3.415 -4.479 -19.521 1.00 0.00 C ATOM 636 CD2 TYR A 44 2.016 -4.781 -21.426 1.00 0.00 C ATOM 637 CE1 TYR A 44 2.304 -4.472 -18.700 1.00 0.00 C ATOM 638 CE2 TYR A 44 0.899 -4.774 -20.613 1.00 0.00 C ATOM 639 CZ TYR A 44 1.048 -4.619 -19.251 1.00 0.00 C ATOM 640 OH TYR A 44 -0.061 -4.613 -18.437 1.00 0.00 O ATOM 0 H TYR A 44 5.141 -6.522 -19.987 1.00 0.00 H new ATOM 0 HA TYR A 44 4.610 -6.477 -22.900 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.280 -4.008 -21.347 1.00 0.00 H new ATOM 0 HB3 TYR A 44 4.249 -4.197 -22.751 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.397 -4.363 -19.086 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.895 -4.904 -22.492 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.418 -4.352 -17.633 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.085 -4.889 -21.042 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.868 -4.726 -18.982 1.00 0.00 H new ATOM 650 N GLY A 45 7.329 -6.950 -21.846 1.00 0.00 N ATOM 651 CA GLY A 45 8.766 -6.961 -22.047 1.00 0.00 C ATOM 652 C GLY A 45 9.520 -6.379 -20.867 1.00 0.00 C ATOM 653 O GLY A 45 9.286 -6.763 -19.722 1.00 0.00 O ATOM 0 H GLY A 45 6.960 -7.760 -21.348 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.098 -7.985 -22.218 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.009 -6.393 -22.945 1.00 0.00 H new ATOM 657 N ASN A 46 10.429 -5.451 -21.148 1.00 0.00 N ATOM 658 CA ASN A 46 11.222 -4.817 -20.101 1.00 0.00 C ATOM 659 C ASN A 46 10.564 -3.525 -19.628 1.00 0.00 C ATOM 660 O ASN A 46 10.377 -2.590 -20.406 1.00 0.00 O ATOM 661 CB ASN A 46 12.636 -4.527 -20.609 1.00 0.00 C ATOM 662 CG ASN A 46 13.454 -5.790 -20.796 1.00 0.00 C ATOM 663 OD1 ASN A 46 13.887 -6.383 -19.690 1.00 0.00 O flip ATOM 664 ND2 ASN A 46 13.694 -6.226 -21.922 1.00 0.00 N flip ATOM 0 H ASN A 46 10.635 -5.122 -22.091 1.00 0.00 H new ATOM 0 HA ASN A 46 11.280 -5.504 -19.257 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.576 -3.993 -21.557 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.144 -3.869 -19.904 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.340 -5.737 -22.744 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.246 -7.076 -22.033 1.00 0.00 H new ATOM 671 N ALA A 47 10.216 -3.480 -18.346 1.00 0.00 N ATOM 672 CA ALA A 47 9.582 -2.302 -17.768 1.00 0.00 C ATOM 673 C ALA A 47 10.134 -2.008 -16.377 1.00 0.00 C ATOM 674 O ALA A 47 10.550 -2.917 -15.658 1.00 0.00 O ATOM 675 CB ALA A 47 8.073 -2.490 -17.710 1.00 0.00 C ATOM 0 H ALA A 47 10.363 -4.246 -17.688 1.00 0.00 H new ATOM 0 HA ALA A 47 9.807 -1.448 -18.407 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.612 -1.603 -17.276 1.00 0.00 H new ATOM 0 HB2 ALA A 47 7.687 -2.644 -18.718 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.838 -3.358 -17.095 1.00 0.00 H new ATOM 681 N CYS A 48 10.134 -0.733 -16.002 1.00 0.00 N ATOM 682 CA CYS A 48 10.636 -0.319 -14.698 1.00 0.00 C ATOM 683 C CYS A 48 9.755 -0.866 -13.578 1.00 0.00 C ATOM 684 O CYS A 48 8.619 -0.428 -13.397 1.00 0.00 O ATOM 685 CB CYS A 48 10.698 1.208 -14.613 1.00 0.00 C ATOM 686 SG CYS A 48 11.506 1.837 -13.107 1.00 0.00 S ATOM 0 H CYS A 48 9.791 0.032 -16.584 1.00 0.00 H new ATOM 0 HA CYS A 48 11.641 -0.724 -14.578 1.00 0.00 H new ATOM 0 HB2 CYS A 48 11.231 1.588 -15.484 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.684 1.605 -14.661 1.00 0.00 H new ATOM 691 N TRP A 49 10.288 -1.825 -12.829 1.00 0.00 N ATOM 692 CA TRP A 49 9.551 -2.432 -11.727 1.00 0.00 C ATOM 693 C TRP A 49 9.895 -1.755 -10.404 1.00 0.00 C ATOM 694 O TRP A 49 11.033 -1.822 -9.938 1.00 0.00 O ATOM 695 CB TRP A 49 9.859 -3.928 -11.643 1.00 0.00 C ATOM 696 CG TRP A 49 9.189 -4.608 -10.488 1.00 0.00 C ATOM 697 CD1 TRP A 49 9.650 -4.689 -9.205 1.00 0.00 C ATOM 698 CD2 TRP A 49 7.938 -5.304 -10.512 1.00 0.00 C ATOM 699 NE1 TRP A 49 8.761 -5.394 -8.430 1.00 0.00 N ATOM 700 CE2 TRP A 49 7.702 -5.782 -9.208 1.00 0.00 C ATOM 701 CE3 TRP A 49 6.994 -5.569 -11.507 1.00 0.00 C ATOM 702 CZ2 TRP A 49 6.562 -6.509 -8.876 1.00 0.00 C ATOM 703 CZ3 TRP A 49 5.863 -6.291 -11.177 1.00 0.00 C ATOM 704 CH2 TRP A 49 5.654 -6.754 -9.871 1.00 0.00 C ATOM 0 H TRP A 49 11.227 -2.199 -12.965 1.00 0.00 H new ATOM 0 HA TRP A 49 8.486 -2.297 -11.917 1.00 0.00 H new ATOM 0 HB2 TRP A 49 9.546 -4.409 -12.570 1.00 0.00 H new ATOM 0 HB3 TRP A 49 10.937 -4.066 -11.561 1.00 0.00 H new ATOM 0 HD1 TRP A 49 10.577 -4.262 -8.852 1.00 0.00 H new ATOM 0 HE1 TRP A 49 8.872 -5.596 -7.436 1.00 0.00 H new ATOM 0 HE3 TRP A 49 7.145 -5.216 -12.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 6.400 -6.867 -7.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 5.127 -6.502 -11.939 1.00 0.00 H new ATOM 0 HH2 TRP A 49 4.759 -7.315 -9.645 1.00 0.00 H new ATOM 715 N CYS A 50 8.905 -1.103 -9.803 1.00 0.00 N ATOM 716 CA CYS A 50 9.103 -0.413 -8.534 1.00 0.00 C ATOM 717 C CYS A 50 8.684 -1.298 -7.364 1.00 0.00 C ATOM 718 O CYS A 50 7.702 -2.036 -7.451 1.00 0.00 O ATOM 719 CB CYS A 50 8.308 0.894 -8.511 1.00 0.00 C ATOM 720 SG CYS A 50 8.615 1.977 -9.943 1.00 0.00 S ATOM 0 H CYS A 50 7.957 -1.038 -10.175 1.00 0.00 H new ATOM 0 HA CYS A 50 10.164 -0.186 -8.433 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.244 0.659 -8.468 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.551 1.439 -7.599 1.00 0.00 H new ATOM 725 N ILE A 51 9.434 -1.217 -6.270 1.00 0.00 N ATOM 726 CA ILE A 51 9.139 -2.008 -5.082 1.00 0.00 C ATOM 727 C ILE A 51 8.574 -1.135 -3.966 1.00 0.00 C ATOM 728 O ILE A 51 9.109 -0.067 -3.670 1.00 0.00 O ATOM 729 CB ILE A 51 10.394 -2.734 -4.564 1.00 0.00 C ATOM 730 CG1 ILE A 51 10.929 -3.696 -5.627 1.00 0.00 C ATOM 731 CG2 ILE A 51 10.081 -3.481 -3.276 1.00 0.00 C ATOM 732 CD1 ILE A 51 10.312 -5.076 -5.559 1.00 0.00 C ATOM 0 H ILE A 51 10.250 -0.612 -6.182 1.00 0.00 H new ATOM 0 HA ILE A 51 8.394 -2.749 -5.373 1.00 0.00 H new ATOM 0 HB ILE A 51 11.163 -1.991 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.744 -3.273 -6.614 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.010 -3.784 -5.515 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.978 -3.989 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.742 -2.774 -2.519 1.00 0.00 H new ATOM 0 HG23 ILE A 51 9.298 -4.216 -3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.738 -5.704 -6.341 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.519 -5.519 -4.585 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.234 -5.000 -5.702 1.00 0.00 H new ATOM 744 N GLN A 52 7.491 -1.599 -3.351 1.00 0.00 N ATOM 745 CA GLN A 52 6.854 -0.861 -2.267 1.00 0.00 C ATOM 746 C GLN A 52 6.283 0.461 -2.770 1.00 0.00 C ATOM 747 O GLN A 52 6.419 1.496 -2.117 1.00 0.00 O ATOM 748 CB GLN A 52 7.856 -0.602 -1.140 1.00 0.00 C ATOM 749 CG GLN A 52 7.895 -1.704 -0.095 1.00 0.00 C ATOM 750 CD GLN A 52 6.802 -1.560 0.946 1.00 0.00 C ATOM 751 OE1 GLN A 52 6.904 -0.742 1.861 1.00 0.00 O ATOM 752 NE2 GLN A 52 5.748 -2.357 0.812 1.00 0.00 N ATOM 0 H GLN A 52 7.037 -2.482 -3.585 1.00 0.00 H new ATOM 0 HA GLN A 52 6.034 -1.467 -1.882 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.851 -0.485 -1.570 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.606 0.341 -0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.797 -2.671 -0.588 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.866 -1.696 0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.705 -3.020 0.038 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.981 -2.306 1.483 1.00 0.00 H new ATOM 761 N LEU A 53 5.644 0.418 -3.934 1.00 0.00 N ATOM 762 CA LEU A 53 5.052 1.613 -4.525 1.00 0.00 C ATOM 763 C LEU A 53 3.648 1.852 -3.980 1.00 0.00 C ATOM 764 O LEU A 53 2.842 0.931 -3.847 1.00 0.00 O ATOM 765 CB LEU A 53 5.005 1.482 -6.048 1.00 0.00 C ATOM 766 CG LEU A 53 4.792 2.781 -6.828 1.00 0.00 C ATOM 767 CD1 LEU A 53 5.997 3.697 -6.677 1.00 0.00 C ATOM 768 CD2 LEU A 53 4.526 2.484 -8.296 1.00 0.00 C ATOM 0 H LEU A 53 5.523 -0.431 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 53 5.675 2.467 -4.259 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.939 1.030 -6.383 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.204 0.790 -6.309 1.00 0.00 H new ATOM 0 HG LEU A 53 3.920 3.290 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.828 4.616 -7.238 1.00 0.00 H new ATOM 0 HD12 LEU A 53 6.142 3.937 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.886 3.196 -7.061 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.377 3.419 -8.835 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.378 1.953 -8.720 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.632 1.867 -8.386 1.00 0.00 H new ATOM 780 N PRO A 54 3.345 3.119 -3.659 1.00 0.00 N ATOM 781 CA PRO A 54 2.036 3.509 -3.127 1.00 0.00 C ATOM 782 C PRO A 54 0.930 3.406 -4.172 1.00 0.00 C ATOM 783 O PRO A 54 1.160 3.645 -5.357 1.00 0.00 O ATOM 784 CB PRO A 54 2.243 4.967 -2.709 1.00 0.00 C ATOM 785 CG PRO A 54 3.358 5.453 -3.571 1.00 0.00 C ATOM 786 CD PRO A 54 4.256 4.268 -3.793 1.00 0.00 C ATOM 0 HA PRO A 54 1.718 2.859 -2.312 1.00 0.00 H new ATOM 0 HB2 PRO A 54 1.338 5.555 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.497 5.044 -1.652 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.980 5.839 -4.518 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.898 6.267 -3.088 1.00 0.00 H new ATOM 0 HD2 PRO A 54 4.724 4.297 -4.777 1.00 0.00 H new ATOM 0 HD3 PRO A 54 5.061 4.231 -3.059 1.00 0.00 H new ATOM 794 N ASP A 55 -0.268 3.049 -3.724 1.00 0.00 N ATOM 795 CA ASP A 55 -1.410 2.916 -4.621 1.00 0.00 C ATOM 796 C ASP A 55 -1.789 4.265 -5.223 1.00 0.00 C ATOM 797 O ASP A 55 -2.669 4.350 -6.078 1.00 0.00 O ATOM 798 CB ASP A 55 -2.606 2.323 -3.874 1.00 0.00 C ATOM 799 CG ASP A 55 -2.547 0.810 -3.795 1.00 0.00 C ATOM 800 OD1 ASP A 55 -1.553 0.283 -3.252 1.00 0.00 O ATOM 801 OD2 ASP A 55 -3.495 0.154 -4.274 1.00 0.00 O ATOM 0 H ASP A 55 -0.474 2.847 -2.746 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.127 2.244 -5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.642 2.735 -2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.527 2.622 -4.374 1.00 0.00 H new ATOM 806 N ASN A 56 -1.118 5.319 -4.769 1.00 0.00 N ATOM 807 CA ASN A 56 -1.385 6.666 -5.262 1.00 0.00 C ATOM 808 C ASN A 56 -0.732 6.887 -6.622 1.00 0.00 C ATOM 809 O ASN A 56 -1.214 7.677 -7.434 1.00 0.00 O ATOM 810 CB ASN A 56 -0.875 7.707 -4.263 1.00 0.00 C ATOM 811 CG ASN A 56 -1.409 7.475 -2.863 1.00 0.00 C ATOM 812 OD1 ASN A 56 -2.290 6.641 -2.652 1.00 0.00 O ATOM 813 ND2 ASN A 56 -0.877 8.215 -1.897 1.00 0.00 N ATOM 0 H ASN A 56 -0.386 5.267 -4.061 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.463 6.778 -5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.215 7.683 -4.242 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.165 8.702 -4.599 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.197 8.104 -0.935 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.149 8.894 -2.117 1.00 0.00 H new ATOM 820 N VAL A 57 0.369 6.183 -6.865 1.00 0.00 N ATOM 821 CA VAL A 57 1.089 6.300 -8.128 1.00 0.00 C ATOM 822 C VAL A 57 0.513 5.357 -9.178 1.00 0.00 C ATOM 823 O VAL A 57 0.214 4.194 -8.907 1.00 0.00 O ATOM 824 CB VAL A 57 2.588 5.998 -7.950 1.00 0.00 C ATOM 825 CG1 VAL A 57 3.362 6.377 -9.204 1.00 0.00 C ATOM 826 CG2 VAL A 57 3.138 6.728 -6.734 1.00 0.00 C ATOM 0 H VAL A 57 0.782 5.525 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 57 0.971 7.330 -8.465 1.00 0.00 H new ATOM 0 HB VAL A 57 2.708 4.927 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.420 6.156 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.985 5.805 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.237 7.442 -9.401 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.199 6.503 -6.624 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.007 7.802 -6.864 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.603 6.403 -5.842 1.00 0.00 H new ATOM 836 N PRO A 58 0.352 5.868 -10.408 1.00 0.00 N ATOM 837 CA PRO A 58 -0.189 5.088 -11.525 1.00 0.00 C ATOM 838 C PRO A 58 0.775 4.004 -11.995 1.00 0.00 C ATOM 839 O PRO A 58 1.992 4.190 -11.973 1.00 0.00 O ATOM 840 CB PRO A 58 -0.392 6.135 -12.623 1.00 0.00 C ATOM 841 CG PRO A 58 0.582 7.215 -12.302 1.00 0.00 C ATOM 842 CD PRO A 58 0.686 7.247 -10.803 1.00 0.00 C ATOM 0 HA PRO A 58 -1.100 4.558 -11.248 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -0.205 5.714 -13.611 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.415 6.512 -12.626 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.552 7.013 -12.756 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.242 8.175 -12.690 1.00 0.00 H new ATOM 0 HD2 PRO A 58 1.687 7.527 -10.476 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.005 7.968 -10.368 1.00 0.00 H new ATOM 850 N ILE A 59 0.224 2.873 -12.421 1.00 0.00 N ATOM 851 CA ILE A 59 1.035 1.760 -12.898 1.00 0.00 C ATOM 852 C ILE A 59 0.657 1.375 -14.324 1.00 0.00 C ATOM 853 O ILE A 59 -0.375 1.803 -14.840 1.00 0.00 O ATOM 854 CB ILE A 59 0.888 0.525 -11.989 1.00 0.00 C ATOM 855 CG1 ILE A 59 -0.579 0.099 -11.905 1.00 0.00 C ATOM 856 CG2 ILE A 59 1.440 0.820 -10.602 1.00 0.00 C ATOM 857 CD1 ILE A 59 -0.780 -1.251 -11.252 1.00 0.00 C ATOM 0 H ILE A 59 -0.781 2.703 -12.446 1.00 0.00 H new ATOM 0 HA ILE A 59 2.072 2.095 -12.877 1.00 0.00 H new ATOM 0 HB ILE A 59 1.461 -0.296 -12.420 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.136 0.851 -11.345 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.000 0.074 -12.910 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.329 -0.062 -9.971 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.495 1.081 -10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.891 1.652 -10.162 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.844 -1.488 -11.227 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.252 -2.014 -11.824 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.390 -1.225 -10.235 1.00 0.00 H new ATOM 869 N ARG A 60 1.499 0.563 -14.955 1.00 0.00 N ATOM 870 CA ARG A 60 1.253 0.120 -16.322 1.00 0.00 C ATOM 871 C ARG A 60 0.012 -0.765 -16.391 1.00 0.00 C ATOM 872 O ARG A 60 -0.115 -1.733 -15.640 1.00 0.00 O ATOM 873 CB ARG A 60 2.466 -0.642 -16.860 1.00 0.00 C ATOM 874 CG ARG A 60 2.146 -1.536 -18.046 1.00 0.00 C ATOM 875 CD ARG A 60 1.480 -0.756 -19.169 1.00 0.00 C ATOM 876 NE ARG A 60 1.902 -1.225 -20.486 1.00 0.00 N ATOM 877 CZ ARG A 60 1.343 -0.823 -21.622 1.00 0.00 C ATOM 878 NH1 ARG A 60 0.346 0.051 -21.602 1.00 0.00 N ATOM 879 NH2 ARG A 60 1.782 -1.295 -22.782 1.00 0.00 N ATOM 0 H ARG A 60 2.357 0.199 -14.541 1.00 0.00 H new ATOM 0 HA ARG A 60 1.084 1.003 -16.939 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.234 0.074 -17.152 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.886 -1.251 -16.060 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.063 -1.995 -18.415 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.491 -2.346 -17.726 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.397 -0.847 -19.081 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.720 0.302 -19.067 1.00 0.00 H new ATOM 0 HE ARG A 60 2.667 -1.898 -20.536 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.006 0.417 -20.713 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.081 0.358 -22.476 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.549 -1.967 -22.802 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.352 -0.986 -23.654 1.00 0.00 H new ATOM 893 N ILE A 61 -0.900 -0.426 -17.296 1.00 0.00 N ATOM 894 CA ILE A 61 -2.130 -1.190 -17.464 1.00 0.00 C ATOM 895 C ILE A 61 -2.470 -1.368 -18.939 1.00 0.00 C ATOM 896 O ILE A 61 -2.066 -0.580 -19.795 1.00 0.00 O ATOM 897 CB ILE A 61 -3.316 -0.511 -16.753 1.00 0.00 C ATOM 898 CG1 ILE A 61 -3.166 1.011 -16.806 1.00 0.00 C ATOM 899 CG2 ILE A 61 -3.415 -0.989 -15.313 1.00 0.00 C ATOM 900 CD1 ILE A 61 -4.339 1.755 -16.207 1.00 0.00 C ATOM 0 H ILE A 61 -0.810 0.373 -17.924 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.958 -2.167 -17.013 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.236 -0.785 -17.270 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.257 1.297 -16.277 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.042 1.320 -17.844 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.258 -0.500 -14.824 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.563 -2.069 -15.297 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.495 -0.741 -14.783 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.164 2.828 -16.279 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.248 1.498 -16.750 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.451 1.475 -15.160 1.00 0.00 H new ATOM 912 N PRO A 62 -3.233 -2.428 -19.247 1.00 0.00 N ATOM 913 CA PRO A 62 -3.647 -2.733 -20.620 1.00 0.00 C ATOM 914 C PRO A 62 -4.657 -1.726 -21.158 1.00 0.00 C ATOM 915 O PRO A 62 -5.848 -2.019 -21.259 1.00 0.00 O ATOM 916 CB PRO A 62 -4.286 -4.118 -20.498 1.00 0.00 C ATOM 917 CG PRO A 62 -4.744 -4.201 -19.083 1.00 0.00 C ATOM 918 CD PRO A 62 -3.750 -3.409 -18.279 1.00 0.00 C ATOM 0 HA PRO A 62 -2.809 -2.695 -21.316 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.120 -4.232 -21.191 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.569 -4.906 -20.729 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.749 -3.793 -18.973 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.782 -5.237 -18.745 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.221 -2.921 -17.425 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.955 -4.043 -17.886 1.00 0.00 H new ATOM 926 N GLY A 63 -4.174 -0.536 -21.504 1.00 0.00 N ATOM 927 CA GLY A 63 -5.049 0.496 -22.028 1.00 0.00 C ATOM 928 C GLY A 63 -4.405 1.287 -23.150 1.00 0.00 C ATOM 929 O GLY A 63 -3.280 0.998 -23.558 1.00 0.00 O ATOM 0 H GLY A 63 -3.192 -0.269 -21.431 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.969 0.038 -22.392 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.328 1.175 -21.222 1.00 0.00 H new ATOM 933 N LYS A 64 -5.120 2.288 -23.652 1.00 0.00 N ATOM 934 CA LYS A 64 -4.613 3.124 -24.734 1.00 0.00 C ATOM 935 C LYS A 64 -3.561 4.101 -24.219 1.00 0.00 C ATOM 936 O LYS A 64 -3.873 5.026 -23.469 1.00 0.00 O ATOM 937 CB LYS A 64 -5.761 3.893 -25.392 1.00 0.00 C ATOM 938 CG LYS A 64 -6.764 3.001 -26.102 1.00 0.00 C ATOM 939 CD LYS A 64 -8.092 3.709 -26.309 1.00 0.00 C ATOM 940 CE LYS A 64 -7.990 4.781 -27.384 1.00 0.00 C ATOM 941 NZ LYS A 64 -7.651 6.112 -26.809 1.00 0.00 N ATOM 0 H LYS A 64 -6.053 2.540 -23.327 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.148 2.474 -25.475 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.280 4.475 -24.631 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.348 4.603 -26.109 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.360 2.694 -27.067 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.922 2.093 -25.519 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.854 2.982 -26.590 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -8.414 4.162 -25.371 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.230 4.495 -28.111 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.936 4.848 -27.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.383 6.802 -27.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.603 6.040 -25.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.730 6.425 -27.177 1.00 0.00 H new ATOM 955 N CYS A 65 -2.314 3.890 -24.628 1.00 0.00 N ATOM 956 CA CYS A 65 -1.216 4.753 -24.210 1.00 0.00 C ATOM 957 C CYS A 65 -0.957 5.844 -25.244 1.00 0.00 C ATOM 958 O CYS A 65 -1.403 5.749 -26.388 1.00 0.00 O ATOM 959 CB CYS A 65 0.054 3.927 -23.994 1.00 0.00 C ATOM 960 SG CYS A 65 1.592 4.903 -24.042 1.00 0.00 S ATOM 0 H CYS A 65 -2.039 3.129 -25.249 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.497 5.228 -23.270 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -0.013 3.422 -23.031 1.00 0.00 H new ATOM 0 HB3 CYS A 65 0.104 3.151 -24.758 1.00 0.00 H new ATOM 965 N HIS A 66 -0.233 6.881 -24.834 1.00 0.00 N ATOM 966 CA HIS A 66 0.087 7.991 -25.725 1.00 0.00 C ATOM 967 C HIS A 66 0.202 7.512 -27.169 1.00 0.00 C ATOM 968 O HIS A 66 -0.558 7.941 -28.038 1.00 0.00 O ATOM 969 CB HIS A 66 1.391 8.661 -25.292 1.00 0.00 C ATOM 970 CG HIS A 66 2.594 7.780 -25.436 1.00 0.00 C ATOM 971 ND1 HIS A 66 3.803 8.052 -24.831 1.00 0.00 N ATOM 972 CD2 HIS A 66 2.769 6.626 -26.121 1.00 0.00 C ATOM 973 CE1 HIS A 66 4.669 7.103 -25.138 1.00 0.00 C ATOM 974 NE2 HIS A 66 4.067 6.225 -25.920 1.00 0.00 N ATOM 0 H HIS A 66 0.143 6.976 -23.891 1.00 0.00 H new ATOM 0 HA HIS A 66 -0.723 8.718 -25.665 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.540 9.564 -25.884 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.302 8.973 -24.251 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.998 8.860 -24.239 1.00 0.00 H new ATOM 0 HD2 HIS A 66 2.026 6.115 -26.715 1.00 0.00 H new ATOM 0 HE1 HIS A 66 5.695 7.053 -24.806 1.00 0.00 H new TER 982 HIS A 66