USER MOD reduce.3.24.130724 H: found=0, std=0, add=270, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 272 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 25 ASN : amide:sc= 0.887 K(o=1.9,f=-5.1!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -173:sc= 1.03 (180deg=0) USER MOD Set 2.1: A 27 THR OG1 : rot 122:sc= 0.791 USER MOD Set 2.2: A 30 GLN : amide:sc= 0.699 K(o=1.5,f=-1.6) USER MOD Set 3.1: A 28 SER OG : rot -146:sc= 0.934 USER MOD Set 3.2: A 44 GLN : amide:sc= 0.818 X(o=1.8,f=1.5) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.748 K(o=0.75,f=-0.052) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0.048) USER MOD Single : A 45 ASN : amide:sc= 0.888 K(o=0.89,f=0) USER MOD Single : A 46 LYS NZ :NH3+ -135:sc= 0.251 (180deg=-0.256) USER MOD Single : A 49 HIS : no HE2:sc= -0.0534 K(o=-0.053,f=-1.5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.823 12.059 -6.609 1.00 0.00 N ATOM 2 CA PHE A 17 34.970 11.066 -5.869 1.00 0.00 C ATOM 3 C PHE A 17 33.576 11.552 -5.468 1.00 0.00 C ATOM 4 O PHE A 17 33.404 12.461 -4.657 1.00 0.00 O ATOM 5 CB PHE A 17 35.800 10.604 -4.629 1.00 0.00 C ATOM 6 CG PHE A 17 35.139 9.591 -3.715 1.00 0.00 C ATOM 7 CD1 PHE A 17 35.333 9.700 -2.326 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.324 8.554 -4.200 1.00 0.00 C ATOM 9 CE1 PHE A 17 34.716 8.808 -1.440 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.690 7.672 -3.316 1.00 0.00 C ATOM 11 CZ PHE A 17 33.889 7.794 -1.937 1.00 0.00 C ATOM 0 HA PHE A 17 34.744 10.244 -6.548 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.739 10.181 -4.985 1.00 0.00 H new ATOM 0 HB3 PHE A 17 36.051 11.485 -4.038 1.00 0.00 H new ATOM 0 HD1 PHE A 17 35.967 10.483 -1.937 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.185 8.436 -5.265 1.00 0.00 H new ATOM 0 HE1 PHE A 17 34.878 8.902 -0.376 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.045 6.895 -3.700 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.406 7.108 -1.257 1.00 0.00 H new ATOM 23 N ASP A 18 32.528 10.898 -6.025 1.00 0.00 N ATOM 24 CA ASP A 18 31.178 10.952 -5.508 1.00 0.00 C ATOM 25 C ASP A 18 30.802 9.540 -5.095 1.00 0.00 C ATOM 26 O ASP A 18 31.337 8.563 -5.623 1.00 0.00 O ATOM 27 CB ASP A 18 30.168 11.491 -6.554 1.00 0.00 C ATOM 28 CG ASP A 18 30.454 12.955 -6.867 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.300 13.792 -5.940 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.795 13.248 -8.042 1.00 0.00 O ATOM 0 H ASP A 18 32.619 10.315 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 18 31.140 11.640 -4.664 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.230 10.899 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.152 11.386 -6.175 1.00 0.00 H new ATOM 35 N VAL A 19 29.869 9.401 -4.130 1.00 0.00 N ATOM 36 CA VAL A 19 29.383 8.108 -3.692 1.00 0.00 C ATOM 37 C VAL A 19 27.868 8.151 -3.760 1.00 0.00 C ATOM 38 O VAL A 19 27.239 9.129 -3.356 1.00 0.00 O ATOM 39 CB VAL A 19 29.916 7.738 -2.302 1.00 0.00 C ATOM 40 CG1 VAL A 19 29.500 8.749 -1.211 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.515 6.298 -1.932 1.00 0.00 C ATOM 0 H VAL A 19 29.442 10.190 -3.644 1.00 0.00 H new ATOM 0 HA VAL A 19 29.751 7.316 -4.344 1.00 0.00 H new ATOM 0 HB VAL A 19 31.004 7.787 -2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.906 8.435 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.887 9.736 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 28.413 8.791 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.903 6.055 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.428 6.213 -1.927 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.930 5.605 -2.664 1.00 0.00 H new ATOM 51 N VAL A 20 27.247 7.099 -4.339 1.00 0.00 N ATOM 52 CA VAL A 20 25.803 6.980 -4.486 1.00 0.00 C ATOM 53 C VAL A 20 25.400 5.584 -4.070 1.00 0.00 C ATOM 54 O VAL A 20 26.234 4.684 -4.004 1.00 0.00 O ATOM 55 CB VAL A 20 25.276 7.267 -5.896 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.593 8.726 -6.279 1.00 0.00 C ATOM 57 CG2 VAL A 20 25.885 6.289 -6.922 1.00 0.00 C ATOM 0 H VAL A 20 27.756 6.302 -4.720 1.00 0.00 H new ATOM 0 HA VAL A 20 25.358 7.745 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 20 24.196 7.124 -5.904 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.218 8.929 -7.282 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.114 9.401 -5.569 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.672 8.882 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.495 6.514 -7.915 1.00 0.00 H new ATOM 0 HG22 VAL A 20 26.970 6.395 -6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 20 25.621 5.267 -6.651 1.00 0.00 H new ATOM 67 N SER A 21 24.105 5.355 -3.761 1.00 0.00 N ATOM 68 CA SER A 21 23.595 4.040 -3.407 1.00 0.00 C ATOM 69 C SER A 21 23.489 3.075 -4.585 1.00 0.00 C ATOM 70 O SER A 21 23.143 3.463 -5.697 1.00 0.00 O ATOM 71 CB SER A 21 22.209 4.166 -2.725 1.00 0.00 C ATOM 72 OG SER A 21 21.270 4.808 -3.586 1.00 0.00 O ATOM 0 H SER A 21 23.394 6.087 -3.754 1.00 0.00 H new ATOM 0 HA SER A 21 24.328 3.618 -2.720 1.00 0.00 H new ATOM 0 HB2 SER A 21 21.842 3.176 -2.455 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.306 4.734 -1.799 1.00 0.00 H new ATOM 0 HG SER A 21 20.403 4.874 -3.134 1.00 0.00 H new ATOM 78 N CYS A 22 23.753 1.767 -4.342 1.00 0.00 N ATOM 79 CA CYS A 22 23.741 0.729 -5.368 1.00 0.00 C ATOM 80 C CYS A 22 22.431 -0.054 -5.365 1.00 0.00 C ATOM 81 O CYS A 22 22.180 -0.876 -6.242 1.00 0.00 O ATOM 82 CB CYS A 22 24.958 -0.211 -5.151 1.00 0.00 C ATOM 83 SG CYS A 22 25.307 -1.411 -6.476 1.00 0.00 S ATOM 0 H CYS A 22 23.981 1.413 -3.413 1.00 0.00 H new ATOM 0 HA CYS A 22 23.818 1.201 -6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.845 0.407 -5.008 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.802 -0.763 -4.224 1.00 0.00 H new ATOM 88 N ASN A 23 21.555 0.216 -4.367 1.00 0.00 N ATOM 89 CA ASN A 23 20.260 -0.415 -4.141 1.00 0.00 C ATOM 90 C ASN A 23 20.375 -1.933 -3.911 1.00 0.00 C ATOM 91 O ASN A 23 19.636 -2.740 -4.474 1.00 0.00 O ATOM 92 CB ASN A 23 19.284 -0.034 -5.306 1.00 0.00 C ATOM 93 CG ASN A 23 17.791 -0.171 -4.972 1.00 0.00 C ATOM 94 OD1 ASN A 23 17.104 0.841 -4.811 1.00 0.00 O ATOM 95 ND2 ASN A 23 17.278 -1.418 -4.864 1.00 0.00 N ATOM 0 H ASN A 23 21.759 0.925 -3.663 1.00 0.00 H new ATOM 0 HA ASN A 23 19.839 -0.031 -3.212 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.482 0.996 -5.603 1.00 0.00 H new ATOM 0 HB3 ASN A 23 19.508 -0.663 -6.168 1.00 0.00 H new ATOM 0 HD21 ASN A 23 16.291 -1.546 -4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 23 17.879 -2.230 -5.004 1.00 0.00 H new ATOM 102 N LYS A 24 21.323 -2.357 -3.046 1.00 0.00 N ATOM 103 CA LYS A 24 21.471 -3.747 -2.659 1.00 0.00 C ATOM 104 C LYS A 24 21.715 -3.787 -1.158 1.00 0.00 C ATOM 105 O LYS A 24 22.404 -2.923 -0.608 1.00 0.00 O ATOM 106 CB LYS A 24 22.634 -4.433 -3.422 1.00 0.00 C ATOM 107 CG LYS A 24 22.814 -5.937 -3.142 1.00 0.00 C ATOM 108 CD LYS A 24 21.654 -6.790 -3.684 1.00 0.00 C ATOM 109 CE LYS A 24 21.926 -8.291 -3.604 1.00 0.00 C ATOM 110 NZ LYS A 24 20.785 -9.027 -4.183 1.00 0.00 N ATOM 0 H LYS A 24 21.999 -1.733 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 24 20.565 -4.296 -2.915 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.474 -4.297 -4.492 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.563 -3.921 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.748 -6.276 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.902 -6.093 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.749 -6.560 -3.122 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.463 -6.516 -4.722 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.842 -8.535 -4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 24 22.077 -8.590 -2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.968 -10.049 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.920 -8.802 -3.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.661 -8.749 -5.178 1.00 0.00 H new ATOM 124 N ASN A 25 21.107 -4.775 -0.455 1.00 0.00 N ATOM 125 CA ASN A 25 21.142 -4.894 0.990 1.00 0.00 C ATOM 126 C ASN A 25 22.375 -5.677 1.442 1.00 0.00 C ATOM 127 O ASN A 25 22.609 -6.811 1.032 1.00 0.00 O ATOM 128 CB ASN A 25 19.851 -5.596 1.512 1.00 0.00 C ATOM 129 CG ASN A 25 19.732 -5.570 3.042 1.00 0.00 C ATOM 130 OD1 ASN A 25 19.283 -4.576 3.618 1.00 0.00 O ATOM 131 ND2 ASN A 25 20.179 -6.664 3.712 1.00 0.00 N ATOM 0 H ASN A 25 20.572 -5.518 -0.904 1.00 0.00 H new ATOM 0 HA ASN A 25 21.194 -3.889 1.408 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.978 -5.110 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.843 -6.631 1.170 1.00 0.00 H new ATOM 0 HD21 ASN A 25 20.151 -6.684 4.731 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.543 -7.465 3.196 1.00 0.00 H new ATOM 138 N CYS A 26 23.159 -5.068 2.351 1.00 0.00 N ATOM 139 CA CYS A 26 24.326 -5.623 3.007 1.00 0.00 C ATOM 140 C CYS A 26 23.995 -5.961 4.445 1.00 0.00 C ATOM 141 O CYS A 26 23.198 -5.285 5.086 1.00 0.00 O ATOM 142 CB CYS A 26 25.501 -4.612 2.903 1.00 0.00 C ATOM 143 SG CYS A 26 27.016 -4.925 3.856 1.00 0.00 S ATOM 0 H CYS A 26 22.970 -4.114 2.657 1.00 0.00 H new ATOM 0 HA CYS A 26 24.631 -6.547 2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 26 25.782 -4.540 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.121 -3.634 3.199 1.00 0.00 H new ATOM 148 N THR A 27 24.580 -7.062 4.967 1.00 0.00 N ATOM 149 CA THR A 27 24.519 -7.413 6.378 1.00 0.00 C ATOM 150 C THR A 27 25.958 -7.787 6.678 1.00 0.00 C ATOM 151 O THR A 27 26.648 -8.240 5.768 1.00 0.00 O ATOM 152 CB THR A 27 23.657 -8.618 6.722 1.00 0.00 C ATOM 153 OG1 THR A 27 22.376 -8.549 6.110 1.00 0.00 O ATOM 154 CG2 THR A 27 23.376 -8.662 8.234 1.00 0.00 C ATOM 0 H THR A 27 25.109 -7.729 4.405 1.00 0.00 H new ATOM 0 HA THR A 27 24.081 -6.589 6.942 1.00 0.00 H new ATOM 0 HB THR A 27 24.212 -9.489 6.372 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.241 -9.337 5.543 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.758 -9.530 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 27 24.318 -8.733 8.777 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.852 -7.754 8.533 1.00 0.00 H new ATOM 162 N SER A 28 26.460 -7.657 7.931 1.00 0.00 N ATOM 163 CA SER A 28 27.875 -7.831 8.277 1.00 0.00 C ATOM 164 C SER A 28 28.444 -9.200 7.936 1.00 0.00 C ATOM 165 O SER A 28 29.516 -9.301 7.345 1.00 0.00 O ATOM 166 CB SER A 28 28.086 -7.587 9.797 1.00 0.00 C ATOM 167 OG SER A 28 29.446 -7.697 10.214 1.00 0.00 O ATOM 0 H SER A 28 25.877 -7.425 8.735 1.00 0.00 H new ATOM 0 HA SER A 28 28.408 -7.099 7.670 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.717 -6.593 10.051 1.00 0.00 H new ATOM 0 HB3 SER A 28 27.485 -8.303 10.357 1.00 0.00 H new ATOM 0 HG SER A 28 29.481 -8.072 11.119 1.00 0.00 H new ATOM 173 N GLY A 29 27.707 -10.291 8.246 1.00 0.00 N ATOM 174 CA GLY A 29 28.180 -11.648 8.001 1.00 0.00 C ATOM 175 C GLY A 29 27.994 -12.114 6.582 1.00 0.00 C ATOM 176 O GLY A 29 28.391 -13.223 6.241 1.00 0.00 O ATOM 0 H GLY A 29 26.780 -10.244 8.668 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.238 -11.704 8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 29 27.655 -12.331 8.669 1.00 0.00 H new ATOM 180 N GLN A 30 27.353 -11.287 5.729 1.00 0.00 N ATOM 181 CA GLN A 30 27.065 -11.641 4.353 1.00 0.00 C ATOM 182 C GLN A 30 27.851 -10.748 3.401 1.00 0.00 C ATOM 183 O GLN A 30 28.487 -11.234 2.471 1.00 0.00 O ATOM 184 CB GLN A 30 25.547 -11.472 4.074 1.00 0.00 C ATOM 185 CG GLN A 30 24.655 -12.405 4.928 1.00 0.00 C ATOM 186 CD GLN A 30 23.172 -12.142 4.642 1.00 0.00 C ATOM 187 OE1 GLN A 30 22.699 -11.005 4.730 1.00 0.00 O ATOM 188 NE2 GLN A 30 22.416 -13.219 4.306 1.00 0.00 N ATOM 0 H GLN A 30 27.027 -10.357 5.991 1.00 0.00 H new ATOM 0 HA GLN A 30 27.356 -12.679 4.193 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.264 -10.437 4.265 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.356 -11.666 3.019 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.894 -13.446 4.710 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.861 -12.246 5.986 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.844 -14.143 4.244 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.420 -13.104 4.116 1.00 0.00 H new ATOM 197 N ASN A 31 27.809 -9.412 3.641 1.00 0.00 N ATOM 198 CA ASN A 31 28.490 -8.310 2.976 1.00 0.00 C ATOM 199 C ASN A 31 28.331 -8.364 1.451 1.00 0.00 C ATOM 200 O ASN A 31 29.288 -8.308 0.685 1.00 0.00 O ATOM 201 CB ASN A 31 29.967 -8.233 3.464 1.00 0.00 C ATOM 202 CG ASN A 31 30.565 -6.824 3.341 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.940 -6.328 2.279 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.634 -6.130 4.515 1.00 0.00 N ATOM 0 H ASN A 31 27.223 -9.058 4.397 1.00 0.00 H new ATOM 0 HA ASN A 31 28.013 -7.371 3.259 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.018 -8.554 4.504 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.572 -8.931 2.885 1.00 0.00 H new ATOM 0 HD21 ASN A 31 31.003 -5.179 4.524 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.317 -6.563 5.383 1.00 0.00 H new ATOM 211 N GLU A 32 27.076 -8.541 0.978 1.00 0.00 N ATOM 212 CA GLU A 32 26.784 -8.875 -0.402 1.00 0.00 C ATOM 213 C GLU A 32 26.443 -7.649 -1.213 1.00 0.00 C ATOM 214 O GLU A 32 25.421 -7.009 -0.985 1.00 0.00 O ATOM 215 CB GLU A 32 25.605 -9.884 -0.489 1.00 0.00 C ATOM 216 CG GLU A 32 25.946 -11.313 0.013 1.00 0.00 C ATOM 217 CD GLU A 32 26.850 -12.130 -0.920 1.00 0.00 C ATOM 218 OE1 GLU A 32 27.238 -11.621 -2.002 1.00 0.00 O ATOM 219 OE2 GLU A 32 27.129 -13.301 -0.550 1.00 0.00 O ATOM 0 H GLU A 32 26.244 -8.452 1.561 1.00 0.00 H new ATOM 0 HA GLU A 32 27.685 -9.328 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.768 -9.498 0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 32 25.271 -9.946 -1.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.431 -11.234 0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 32 25.016 -11.860 0.164 1.00 0.00 H new ATOM 226 N CYS A 33 27.291 -7.324 -2.212 1.00 0.00 N ATOM 227 CA CYS A 33 27.057 -6.260 -3.165 1.00 0.00 C ATOM 228 C CYS A 33 27.384 -6.822 -4.538 1.00 0.00 C ATOM 229 O CYS A 33 28.187 -7.756 -4.601 1.00 0.00 O ATOM 230 CB CYS A 33 27.951 -5.019 -2.903 1.00 0.00 C ATOM 231 SG CYS A 33 27.690 -4.274 -1.263 1.00 0.00 S ATOM 0 H CYS A 33 28.172 -7.815 -2.367 1.00 0.00 H new ATOM 0 HA CYS A 33 26.022 -5.928 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.998 -5.307 -3.001 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.754 -4.270 -3.670 1.00 0.00 H new ATOM 236 N PRO A 34 26.838 -6.343 -5.659 1.00 0.00 N ATOM 237 CA PRO A 34 27.319 -6.708 -6.989 1.00 0.00 C ATOM 238 C PRO A 34 28.675 -6.075 -7.273 1.00 0.00 C ATOM 239 O PRO A 34 29.068 -5.122 -6.599 1.00 0.00 O ATOM 240 CB PRO A 34 26.233 -6.156 -7.927 1.00 0.00 C ATOM 241 CG PRO A 34 25.679 -4.944 -7.176 1.00 0.00 C ATOM 242 CD PRO A 34 25.710 -5.409 -5.721 1.00 0.00 C ATOM 0 HA PRO A 34 27.471 -7.781 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.647 -5.871 -8.894 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.456 -6.897 -8.118 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.292 -4.056 -7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.669 -4.694 -7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.851 -4.570 -5.039 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.776 -5.895 -5.440 1.00 0.00 H new ATOM 250 N GLU A 35 29.428 -6.606 -8.263 1.00 0.00 N ATOM 251 CA GLU A 35 30.765 -6.138 -8.588 1.00 0.00 C ATOM 252 C GLU A 35 30.752 -4.690 -9.067 1.00 0.00 C ATOM 253 O GLU A 35 29.959 -4.305 -9.923 1.00 0.00 O ATOM 254 CB GLU A 35 31.403 -7.087 -9.645 1.00 0.00 C ATOM 255 CG GLU A 35 32.892 -6.842 -10.025 1.00 0.00 C ATOM 256 CD GLU A 35 33.128 -5.729 -11.053 1.00 0.00 C ATOM 257 OE1 GLU A 35 32.609 -5.860 -12.191 1.00 0.00 O ATOM 258 OE2 GLU A 35 33.859 -4.766 -10.708 1.00 0.00 O ATOM 0 H GLU A 35 29.110 -7.375 -8.853 1.00 0.00 H new ATOM 0 HA GLU A 35 31.374 -6.159 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 35 31.314 -8.109 -9.277 1.00 0.00 H new ATOM 0 HB3 GLU A 35 30.808 -7.023 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 35 33.447 -6.601 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 35 33.308 -7.770 -10.416 1.00 0.00 H new ATOM 265 N GLY A 36 31.641 -3.848 -8.488 1.00 0.00 N ATOM 266 CA GLY A 36 31.664 -2.409 -8.721 1.00 0.00 C ATOM 267 C GLY A 36 31.015 -1.634 -7.603 1.00 0.00 C ATOM 268 O GLY A 36 31.194 -0.422 -7.504 1.00 0.00 O ATOM 0 H GLY A 36 32.364 -4.165 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.696 -2.079 -8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.152 -2.187 -9.658 1.00 0.00 H new ATOM 272 N CYS A 37 30.265 -2.319 -6.715 1.00 0.00 N ATOM 273 CA CYS A 37 29.660 -1.728 -5.538 1.00 0.00 C ATOM 274 C CYS A 37 30.308 -2.284 -4.282 1.00 0.00 C ATOM 275 O CYS A 37 30.867 -3.379 -4.285 1.00 0.00 O ATOM 276 CB CYS A 37 28.127 -1.958 -5.495 1.00 0.00 C ATOM 277 SG CYS A 37 27.278 -1.129 -6.875 1.00 0.00 S ATOM 0 H CYS A 37 30.069 -3.315 -6.812 1.00 0.00 H new ATOM 0 HA CYS A 37 29.829 -0.652 -5.588 1.00 0.00 H new ATOM 0 HB2 CYS A 37 27.919 -3.027 -5.531 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.731 -1.588 -4.550 1.00 0.00 H new ATOM 282 N PHE A 38 30.274 -1.518 -3.166 1.00 0.00 N ATOM 283 CA PHE A 38 30.937 -1.907 -1.931 1.00 0.00 C ATOM 284 C PHE A 38 30.003 -1.604 -0.773 1.00 0.00 C ATOM 285 O PHE A 38 29.083 -0.799 -0.906 1.00 0.00 O ATOM 286 CB PHE A 38 32.309 -1.170 -1.722 1.00 0.00 C ATOM 287 CG PHE A 38 32.219 0.297 -1.334 1.00 0.00 C ATOM 288 CD1 PHE A 38 31.769 1.277 -2.232 1.00 0.00 C ATOM 289 CD2 PHE A 38 32.656 0.706 -0.058 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.691 2.619 -1.837 1.00 0.00 C ATOM 291 CE2 PHE A 38 32.637 2.058 0.313 1.00 0.00 C ATOM 292 CZ PHE A 38 32.157 3.018 -0.584 1.00 0.00 C ATOM 0 H PHE A 38 29.787 -0.624 -3.112 1.00 0.00 H new ATOM 0 HA PHE A 38 31.162 -2.972 -1.984 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.869 -1.697 -0.950 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.886 -1.248 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 38 31.481 0.995 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 38 33.011 -0.033 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.266 3.351 -2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 38 32.992 2.357 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 38 32.147 4.062 -0.308 1.00 0.00 H new ATOM 302 N CYS A 39 30.218 -2.243 0.397 1.00 0.00 N ATOM 303 CA CYS A 39 29.467 -1.958 1.606 1.00 0.00 C ATOM 304 C CYS A 39 30.367 -1.304 2.626 1.00 0.00 C ATOM 305 O CYS A 39 31.345 -1.884 3.094 1.00 0.00 O ATOM 306 CB CYS A 39 28.846 -3.257 2.179 1.00 0.00 C ATOM 307 SG CYS A 39 27.920 -3.114 3.737 1.00 0.00 S ATOM 0 H CYS A 39 30.923 -2.971 0.514 1.00 0.00 H new ATOM 0 HA CYS A 39 28.655 -1.273 1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.178 -3.674 1.425 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.649 -3.979 2.328 1.00 0.00 H new ATOM 312 N GLY A 40 30.018 -0.062 3.024 1.00 0.00 N ATOM 313 CA GLY A 40 30.685 0.652 4.100 1.00 0.00 C ATOM 314 C GLY A 40 29.993 0.418 5.409 1.00 0.00 C ATOM 315 O GLY A 40 29.379 1.330 5.955 1.00 0.00 O ATOM 0 H GLY A 40 29.258 0.466 2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 40 31.723 0.326 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 40 30.701 1.719 3.878 1.00 0.00 H new ATOM 319 N LEU A 41 30.078 -0.819 5.939 1.00 0.00 N ATOM 320 CA LEU A 41 29.594 -1.161 7.262 1.00 0.00 C ATOM 321 C LEU A 41 30.781 -1.330 8.178 1.00 0.00 C ATOM 322 O LEU A 41 31.687 -2.118 7.914 1.00 0.00 O ATOM 323 CB LEU A 41 28.755 -2.459 7.254 1.00 0.00 C ATOM 324 CG LEU A 41 28.249 -2.944 8.633 1.00 0.00 C ATOM 325 CD1 LEU A 41 27.363 -1.917 9.354 1.00 0.00 C ATOM 326 CD2 LEU A 41 27.501 -4.268 8.460 1.00 0.00 C ATOM 0 H LEU A 41 30.492 -1.608 5.442 1.00 0.00 H new ATOM 0 HA LEU A 41 28.945 -0.357 7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 41 27.893 -2.307 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.354 -3.253 6.808 1.00 0.00 H new ATOM 0 HG LEU A 41 29.124 -3.083 9.267 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.044 -2.322 10.314 1.00 0.00 H new ATOM 0 HD12 LEU A 41 27.929 -1.000 9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 41 26.487 -1.699 8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.143 -4.613 9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 26.653 -4.122 7.791 1.00 0.00 H new ATOM 0 HD23 LEU A 41 28.174 -5.013 8.036 1.00 0.00 H new ATOM 338 N LEU A 42 30.808 -0.560 9.286 1.00 0.00 N ATOM 339 CA LEU A 42 31.943 -0.516 10.175 1.00 0.00 C ATOM 340 C LEU A 42 31.493 -1.119 11.486 1.00 0.00 C ATOM 341 O LEU A 42 30.445 -0.744 12.015 1.00 0.00 O ATOM 342 CB LEU A 42 32.430 0.929 10.471 1.00 0.00 C ATOM 343 CG LEU A 42 32.837 1.786 9.244 1.00 0.00 C ATOM 344 CD1 LEU A 42 33.694 1.034 8.209 1.00 0.00 C ATOM 345 CD2 LEU A 42 31.609 2.453 8.592 1.00 0.00 C ATOM 0 H LEU A 42 30.035 0.041 9.572 1.00 0.00 H new ATOM 0 HA LEU A 42 32.767 -1.051 9.703 1.00 0.00 H new ATOM 0 HB2 LEU A 42 31.638 1.453 11.006 1.00 0.00 H new ATOM 0 HB3 LEU A 42 33.285 0.870 11.145 1.00 0.00 H new ATOM 0 HG LEU A 42 33.485 2.570 9.636 1.00 0.00 H new ATOM 0 HD11 LEU A 42 33.936 1.702 7.383 1.00 0.00 H new ATOM 0 HD12 LEU A 42 34.615 0.690 8.680 1.00 0.00 H new ATOM 0 HD13 LEU A 42 33.138 0.176 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 42 31.929 3.046 7.735 1.00 0.00 H new ATOM 0 HD22 LEU A 42 30.911 1.685 8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 42 31.118 3.101 9.318 1.00 0.00 H new ATOM 357 N GLY A 43 32.265 -2.079 12.051 1.00 0.00 N ATOM 358 CA GLY A 43 32.154 -2.467 13.457 1.00 0.00 C ATOM 359 C GLY A 43 30.949 -3.294 13.819 1.00 0.00 C ATOM 360 O GLY A 43 30.725 -3.560 14.995 1.00 0.00 O ATOM 0 H GLY A 43 32.977 -2.598 11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.049 -3.025 13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 43 32.145 -1.562 14.064 1.00 0.00 H new ATOM 364 N GLN A 44 30.142 -3.690 12.811 1.00 0.00 N ATOM 365 CA GLN A 44 28.838 -4.318 12.947 1.00 0.00 C ATOM 366 C GLN A 44 27.846 -3.502 13.780 1.00 0.00 C ATOM 367 O GLN A 44 27.151 -4.001 14.662 1.00 0.00 O ATOM 368 CB GLN A 44 29.002 -5.781 13.457 1.00 0.00 C ATOM 369 CG GLN A 44 27.745 -6.673 13.325 1.00 0.00 C ATOM 370 CD GLN A 44 28.110 -8.143 13.548 1.00 0.00 C ATOM 371 OE1 GLN A 44 28.838 -8.728 12.740 1.00 0.00 O ATOM 372 NE2 GLN A 44 27.589 -8.762 14.637 1.00 0.00 N ATOM 0 H GLN A 44 30.410 -3.567 11.834 1.00 0.00 H new ATOM 0 HA GLN A 44 28.386 -4.351 11.956 1.00 0.00 H new ATOM 0 HB2 GLN A 44 29.819 -6.250 12.909 1.00 0.00 H new ATOM 0 HB3 GLN A 44 29.298 -5.752 14.506 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.994 -6.364 14.051 1.00 0.00 H new ATOM 0 HG3 GLN A 44 27.304 -6.547 12.336 1.00 0.00 H new ATOM 0 HE21 GLN A 44 26.992 -8.244 15.281 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.795 -9.746 14.812 1.00 0.00 H new ATOM 381 N ASN A 45 27.750 -2.182 13.487 1.00 0.00 N ATOM 382 CA ASN A 45 26.749 -1.308 14.089 1.00 0.00 C ATOM 383 C ASN A 45 25.313 -1.634 13.732 1.00 0.00 C ATOM 384 O ASN A 45 24.455 -1.741 14.606 1.00 0.00 O ATOM 385 CB ASN A 45 26.995 0.174 13.686 1.00 0.00 C ATOM 386 CG ASN A 45 28.106 0.792 14.538 1.00 0.00 C ATOM 387 OD1 ASN A 45 27.843 1.208 15.669 1.00 0.00 O ATOM 388 ND2 ASN A 45 29.358 0.862 14.023 1.00 0.00 N ATOM 0 H ASN A 45 28.368 -1.708 12.828 1.00 0.00 H new ATOM 0 HA ASN A 45 26.871 -1.472 15.160 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.266 0.229 12.632 1.00 0.00 H new ATOM 0 HB3 ASN A 45 26.075 0.746 13.809 1.00 0.00 H new ATOM 0 HD21 ASN A 45 30.114 1.267 14.574 1.00 0.00 H new ATOM 0 HD22 ASN A 45 29.544 0.509 13.084 1.00 0.00 H new ATOM 395 N LYS A 46 25.042 -1.805 12.425 1.00 0.00 N ATOM 396 CA LYS A 46 23.755 -2.204 11.905 1.00 0.00 C ATOM 397 C LYS A 46 24.019 -3.099 10.707 1.00 0.00 C ATOM 398 O LYS A 46 24.672 -4.137 10.794 1.00 0.00 O ATOM 399 CB LYS A 46 22.857 -0.982 11.502 1.00 0.00 C ATOM 400 CG LYS A 46 22.421 -0.063 12.660 1.00 0.00 C ATOM 401 CD LYS A 46 21.436 -0.739 13.633 1.00 0.00 C ATOM 402 CE LYS A 46 21.093 0.098 14.867 1.00 0.00 C ATOM 403 NZ LYS A 46 22.311 0.312 15.672 1.00 0.00 N ATOM 0 H LYS A 46 25.741 -1.662 11.696 1.00 0.00 H new ATOM 0 HA LYS A 46 23.198 -2.730 12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.399 -0.382 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 46 21.963 -1.359 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.304 0.259 13.212 1.00 0.00 H new ATOM 0 HG3 LYS A 46 21.958 0.834 12.249 1.00 0.00 H new ATOM 0 HD2 LYS A 46 20.515 -0.969 13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.860 -1.688 13.959 1.00 0.00 H new ATOM 0 HE2 LYS A 46 20.672 1.057 14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.335 -0.409 15.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 22.096 0.149 16.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 23.051 -0.351 15.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 22.645 1.288 15.543 1.00 0.00 H new ATOM 417 N LYS A 47 23.500 -2.671 9.543 1.00 0.00 N ATOM 418 CA LYS A 47 23.536 -3.348 8.274 1.00 0.00 C ATOM 419 C LYS A 47 24.338 -2.623 7.201 1.00 0.00 C ATOM 420 O LYS A 47 24.999 -3.256 6.382 1.00 0.00 O ATOM 421 CB LYS A 47 22.075 -3.587 7.824 1.00 0.00 C ATOM 422 CG LYS A 47 21.196 -2.320 7.776 1.00 0.00 C ATOM 423 CD LYS A 47 20.024 -2.445 6.786 1.00 0.00 C ATOM 424 CE LYS A 47 19.023 -3.553 7.122 1.00 0.00 C ATOM 425 NZ LYS A 47 18.029 -3.655 6.035 1.00 0.00 N ATOM 0 H LYS A 47 23.014 -1.777 9.481 1.00 0.00 H new ATOM 0 HA LYS A 47 24.064 -4.292 8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 47 22.085 -4.043 6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.614 -4.306 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 47 20.804 -2.117 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 21.813 -1.466 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.494 -1.493 6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 47 20.425 -2.626 5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.542 -4.503 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 47 18.525 -3.336 8.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 17.280 -4.322 6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 17.611 -2.719 5.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 18.495 -3.996 5.170 1.00 0.00 H new ATOM 439 N GLY A 48 24.332 -1.268 7.165 1.00 0.00 N ATOM 440 CA GLY A 48 24.918 -0.523 6.058 1.00 0.00 C ATOM 441 C GLY A 48 24.018 -0.580 4.849 1.00 0.00 C ATOM 442 O GLY A 48 22.836 -0.902 4.949 1.00 0.00 O ATOM 0 H GLY A 48 23.925 -0.683 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 48 25.076 0.514 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.896 -0.936 5.811 1.00 0.00 H new ATOM 446 N HIS A 49 24.553 -0.265 3.657 1.00 0.00 N ATOM 447 CA HIS A 49 23.837 -0.489 2.423 1.00 0.00 C ATOM 448 C HIS A 49 24.935 -0.544 1.384 1.00 0.00 C ATOM 449 O HIS A 49 26.045 -0.092 1.665 1.00 0.00 O ATOM 450 CB HIS A 49 22.818 0.643 2.121 1.00 0.00 C ATOM 451 CG HIS A 49 21.831 0.334 1.028 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.908 -0.678 1.234 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.575 0.976 -0.143 1.00 0.00 C ATOM 454 CE1 HIS A 49 20.113 -0.625 0.185 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.466 0.360 -0.676 1.00 0.00 N ATOM 0 H HIS A 49 25.480 0.145 3.539 1.00 0.00 H new ATOM 0 HA HIS A 49 23.232 -1.396 2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 49 22.267 0.869 3.034 1.00 0.00 H new ATOM 0 HB3 HIS A 49 23.368 1.544 1.849 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.855 -1.322 2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 49 22.129 1.800 -0.568 1.00 0.00 H new ATOM 0 HE1 HIS A 49 19.276 -1.290 0.029 1.00 0.00 H new ATOM 463 N CYS A 50 24.710 -1.130 0.186 1.00 0.00 N ATOM 464 CA CYS A 50 25.737 -1.108 -0.850 1.00 0.00 C ATOM 465 C CYS A 50 25.791 0.224 -1.587 1.00 0.00 C ATOM 466 O CYS A 50 24.762 0.820 -1.919 1.00 0.00 O ATOM 467 CB CYS A 50 25.542 -2.224 -1.899 1.00 0.00 C ATOM 468 SG CYS A 50 25.703 -3.875 -1.171 1.00 0.00 S ATOM 0 H CYS A 50 23.847 -1.609 -0.072 1.00 0.00 H new ATOM 0 HA CYS A 50 26.674 -1.269 -0.316 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.558 -2.124 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.277 -2.106 -2.695 1.00 0.00 H new ATOM 473 N TYR A 51 27.018 0.715 -1.876 1.00 0.00 N ATOM 474 CA TYR A 51 27.235 2.017 -2.481 1.00 0.00 C ATOM 475 C TYR A 51 28.057 1.795 -3.745 1.00 0.00 C ATOM 476 O TYR A 51 28.795 0.816 -3.846 1.00 0.00 O ATOM 477 CB TYR A 51 28.100 2.990 -1.643 1.00 0.00 C ATOM 478 CG TYR A 51 27.681 3.154 -0.210 1.00 0.00 C ATOM 479 CD1 TYR A 51 26.354 3.138 0.257 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.728 3.202 0.722 1.00 0.00 C ATOM 481 CE1 TYR A 51 26.099 3.049 1.637 1.00 0.00 C ATOM 482 CE2 TYR A 51 28.478 3.096 2.091 1.00 0.00 C ATOM 483 CZ TYR A 51 27.161 2.969 2.548 1.00 0.00 C ATOM 484 OH TYR A 51 26.907 2.675 3.905 1.00 0.00 O ATOM 0 H TYR A 51 27.880 0.203 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 51 26.244 2.450 -2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 51 29.133 2.641 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.084 3.969 -2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.533 3.194 -0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.744 3.323 0.375 1.00 0.00 H new ATOM 0 HE1 TYR A 51 25.081 3.042 1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 51 29.297 3.112 2.795 1.00 0.00 H new ATOM 0 HH TYR A 51 27.753 2.656 4.399 1.00 0.00 H new ATOM 494 N LYS A 52 27.976 2.722 -4.720 1.00 0.00 N ATOM 495 CA LYS A 52 28.794 2.731 -5.922 1.00 0.00 C ATOM 496 C LYS A 52 29.808 3.871 -5.830 1.00 0.00 C ATOM 497 O LYS A 52 29.467 4.979 -5.409 1.00 0.00 O ATOM 498 CB LYS A 52 27.917 2.915 -7.186 1.00 0.00 C ATOM 499 CG LYS A 52 28.679 2.846 -8.523 1.00 0.00 C ATOM 500 CD LYS A 52 27.804 3.119 -9.763 1.00 0.00 C ATOM 501 CE LYS A 52 26.617 2.170 -9.927 1.00 0.00 C ATOM 502 NZ LYS A 52 25.942 2.434 -11.214 1.00 0.00 N ATOM 0 H LYS A 52 27.318 3.501 -4.680 1.00 0.00 H new ATOM 0 HA LYS A 52 29.312 1.775 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.142 2.148 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 52 27.412 3.879 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 52 29.495 3.569 -8.501 1.00 0.00 H new ATOM 0 HG3 LYS A 52 29.130 1.859 -8.621 1.00 0.00 H new ATOM 0 HD2 LYS A 52 27.430 4.141 -9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 52 28.429 3.055 -10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 52 26.958 1.136 -9.890 1.00 0.00 H new ATOM 0 HE3 LYS A 52 25.916 2.304 -9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 25.135 1.787 -11.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.602 3.417 -11.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 26.613 2.285 -11.995 1.00 0.00 H new ATOM 516 N ILE A 53 31.086 3.623 -6.226 1.00 0.00 N ATOM 517 CA ILE A 53 32.132 4.643 -6.315 1.00 0.00 C ATOM 518 C ILE A 53 32.238 5.126 -7.743 1.00 0.00 C ATOM 519 O ILE A 53 32.465 4.349 -8.670 1.00 0.00 O ATOM 520 CB ILE A 53 33.508 4.165 -5.825 1.00 0.00 C ATOM 521 CG1 ILE A 53 33.428 3.829 -4.321 1.00 0.00 C ATOM 522 CG2 ILE A 53 34.636 5.187 -6.111 1.00 0.00 C ATOM 523 CD1 ILE A 53 34.622 3.084 -3.716 1.00 0.00 C ATOM 0 H ILE A 53 31.408 2.693 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 53 31.837 5.454 -5.649 1.00 0.00 H new ATOM 0 HB ILE A 53 33.769 3.268 -6.386 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.295 4.761 -3.771 1.00 0.00 H new ATOM 0 HG13 ILE A 53 32.533 3.229 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 53 35.584 4.795 -5.743 1.00 0.00 H new ATOM 0 HG22 ILE A 53 34.707 5.359 -7.185 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.412 6.127 -5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 53 34.442 2.909 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.751 2.129 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 53 35.524 3.684 -3.836 1.00 0.00 H new ATOM 535 N ILE A 54 32.070 6.451 -7.940 1.00 0.00 N ATOM 536 CA ILE A 54 32.180 7.109 -9.224 1.00 0.00 C ATOM 537 C ILE A 54 33.057 8.341 -9.089 1.00 0.00 C ATOM 538 O ILE A 54 33.255 8.882 -8.001 1.00 0.00 O ATOM 539 CB ILE A 54 30.830 7.461 -9.870 1.00 0.00 C ATOM 540 CG1 ILE A 54 29.928 8.397 -9.018 1.00 0.00 C ATOM 541 CG2 ILE A 54 30.112 6.167 -10.305 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.145 7.738 -7.867 1.00 0.00 C ATOM 0 H ILE A 54 31.849 7.094 -7.180 1.00 0.00 H new ATOM 0 HA ILE A 54 32.641 6.393 -9.904 1.00 0.00 H new ATOM 0 HB ILE A 54 31.046 8.061 -10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 54 30.554 9.184 -8.598 1.00 0.00 H new ATOM 0 HG13 ILE A 54 29.213 8.880 -9.684 1.00 0.00 H new ATOM 0 HG21 ILE A 54 29.155 6.418 -10.763 1.00 0.00 H new ATOM 0 HG22 ILE A 54 30.730 5.633 -11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 54 29.942 5.534 -9.434 1.00 0.00 H new ATOM 0 HD11 ILE A 54 28.554 8.494 -7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 54 28.482 6.972 -8.270 1.00 0.00 H new ATOM 0 HD13 ILE A 54 29.844 7.281 -7.166 1.00 0.00 H new ATOM 554 N GLY A 55 33.634 8.810 -10.222 1.00 0.00 N ATOM 555 CA GLY A 55 34.510 9.977 -10.263 1.00 0.00 C ATOM 556 C GLY A 55 35.976 9.634 -10.228 1.00 0.00 C ATOM 557 O GLY A 55 36.821 10.477 -10.504 1.00 0.00 O ATOM 0 H GLY A 55 33.495 8.376 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 55 34.300 10.546 -11.169 1.00 0.00 H new ATOM 0 HA3 GLY A 55 34.277 10.625 -9.418 1.00 0.00 H new