USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 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 44 SER OG : rot -53:sc= -0.026 USER MOD Set 1.2: A 47 THR OG1 : rot -80:sc= 0.601 USER MOD Set 2.1: A 17 THR OG1 : rot 159:sc= 1.13 USER MOD Set 2.2: A 33 ASN : amide:sc= -2.15 K(o=-12,f=-25!) USER MOD Set 2.3: A 36 ASN : amide:sc= -10.6! C(o=-12!,f=-24!) USER MOD Set 3.1: A 11 TYR OH : rot -94:sc= -1.51 USER MOD Set 3.2: A 34 LYS NZ :NH3+ -169:sc= 0.209 (180deg=-0.00259) USER MOD Single : A 1 LEU N :NH3+ -175:sc= -0.66 (180deg=-0.681) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0825 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.02! C(o=-3!,f=-4.3!) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 0.753 (180deg=0.704) USER MOD Single : A 30 THR OG1 : rot 130:sc= -1 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.377 USER MOD Single : A 39 ASN : amide:sc= -4.41! C(o=-4.4!,f=-9!) USER MOD Single : A 45 ASN : amide:sc=-0.00236 K(o=-0.0024,f=-1.7) USER MOD Single : A 49 THR OG1 : rot -88:sc= -1.45! USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -16.2! C(o=-16!,f=-24!) USER MOD Single : A 55 LYS NZ :NH3+ 154:sc= -0.221 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 12.546 10.796 -1.184 1.00 0.00 N ATOM 2 CA LEU A 1 12.455 12.232 -1.569 1.00 0.00 C ATOM 3 C LEU A 1 11.519 12.960 -0.603 1.00 0.00 C ATOM 4 O LEU A 1 10.869 13.924 -0.958 1.00 0.00 O ATOM 5 CB LEU A 1 11.909 12.342 -2.992 1.00 0.00 C ATOM 6 CG LEU A 1 13.064 12.231 -3.987 1.00 0.00 C ATOM 7 CD1 LEU A 1 13.102 10.817 -4.567 1.00 0.00 C ATOM 8 CD2 LEU A 1 12.859 13.242 -5.117 1.00 0.00 C ATOM 0 H1 LEU A 1 13.246 10.319 -1.787 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.838 10.721 -0.189 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.618 10.344 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 1 13.445 12.686 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.179 11.554 -3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 1 11.392 13.292 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 1 14.005 12.439 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 1 13.925 10.737 -5.277 1.00 0.00 H new ATOM 0 HD12 LEU A 1 13.246 10.097 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 1 12.162 10.608 -5.077 1.00 0.00 H new ATOM 0 HD21 LEU A 1 13.682 13.165 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 1 11.918 13.033 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 1 12.831 14.250 -4.703 1.00 0.00 H new ATOM 22 N ALA A 2 11.446 12.508 0.619 1.00 0.00 N ATOM 23 CA ALA A 2 10.553 13.173 1.608 1.00 0.00 C ATOM 24 C ALA A 2 9.104 13.079 1.128 1.00 0.00 C ATOM 25 O ALA A 2 8.344 14.022 1.225 1.00 0.00 O ATOM 26 CB ALA A 2 10.952 14.644 1.747 1.00 0.00 C ATOM 0 H ALA A 2 11.967 11.706 0.975 1.00 0.00 H new ATOM 0 HA ALA A 2 10.648 12.679 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 2 10.299 15.131 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.985 14.710 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.857 15.140 0.781 1.00 0.00 H new ATOM 32 N ALA A 3 8.714 11.946 0.612 1.00 0.00 N ATOM 33 CA ALA A 3 7.312 11.788 0.128 1.00 0.00 C ATOM 34 C ALA A 3 6.603 10.723 0.964 1.00 0.00 C ATOM 35 O ALA A 3 7.192 9.735 1.359 1.00 0.00 O ATOM 36 CB ALA A 3 7.324 11.361 -1.341 1.00 0.00 C ATOM 0 H ALA A 3 9.305 11.122 0.504 1.00 0.00 H new ATOM 0 HA ALA A 3 6.784 12.737 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 3 6.299 11.246 -1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.830 12.121 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.851 10.412 -1.440 1.00 0.00 H new ATOM 42 N VAL A 4 5.341 10.912 1.238 1.00 0.00 N ATOM 43 CA VAL A 4 4.595 9.909 2.048 1.00 0.00 C ATOM 44 C VAL A 4 3.682 9.090 1.133 1.00 0.00 C ATOM 45 O VAL A 4 2.506 9.366 1.006 1.00 0.00 O ATOM 46 CB VAL A 4 3.748 10.630 3.097 1.00 0.00 C ATOM 47 CG1 VAL A 4 4.659 11.175 4.201 1.00 0.00 C ATOM 48 CG2 VAL A 4 2.999 11.789 2.436 1.00 0.00 C ATOM 0 H VAL A 4 4.794 11.718 0.935 1.00 0.00 H new ATOM 0 HA VAL A 4 5.303 9.245 2.544 1.00 0.00 H new ATOM 0 HB VAL A 4 3.031 9.932 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.056 11.689 4.949 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.195 10.350 4.671 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.375 11.874 3.769 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.394 12.304 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.717 12.487 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.352 11.402 1.649 1.00 0.00 H new ATOM 58 N SER A 5 4.213 8.083 0.497 1.00 0.00 N ATOM 59 CA SER A 5 3.377 7.246 -0.407 1.00 0.00 C ATOM 60 C SER A 5 4.265 6.215 -1.103 1.00 0.00 C ATOM 61 O SER A 5 5.296 6.542 -1.656 1.00 0.00 O ATOM 62 CB SER A 5 2.707 8.136 -1.454 1.00 0.00 C ATOM 63 OG SER A 5 2.640 7.440 -2.692 1.00 0.00 O ATOM 0 H SER A 5 5.192 7.803 0.565 1.00 0.00 H new ATOM 0 HA SER A 5 2.610 6.734 0.174 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.705 8.413 -1.125 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.270 9.062 -1.575 1.00 0.00 H new ATOM 0 HG SER A 5 2.209 8.009 -3.364 1.00 0.00 H new ATOM 69 N VAL A 6 3.879 4.970 -1.074 1.00 0.00 N ATOM 70 CA VAL A 6 4.709 3.921 -1.727 1.00 0.00 C ATOM 71 C VAL A 6 4.299 3.782 -3.196 1.00 0.00 C ATOM 72 O VAL A 6 3.148 3.942 -3.548 1.00 0.00 O ATOM 73 CB VAL A 6 4.499 2.589 -1.008 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.019 2.209 -1.054 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.325 1.500 -1.698 1.00 0.00 C ATOM 0 H VAL A 6 3.026 4.634 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 6 5.761 4.202 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 6 4.817 2.685 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.871 1.259 -0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.429 2.983 -0.562 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.700 2.114 -2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.175 0.550 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.008 1.406 -2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.381 1.768 -1.664 1.00 0.00 H new ATOM 85 N ASP A 7 5.235 3.480 -4.054 1.00 0.00 N ATOM 86 CA ASP A 7 4.899 3.326 -5.499 1.00 0.00 C ATOM 87 C ASP A 7 4.083 2.046 -5.691 1.00 0.00 C ATOM 88 O ASP A 7 4.349 1.033 -5.077 1.00 0.00 O ATOM 89 CB ASP A 7 6.188 3.239 -6.320 1.00 0.00 C ATOM 90 CG ASP A 7 5.874 3.515 -7.792 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.372 4.590 -8.080 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.139 2.647 -8.606 1.00 0.00 O ATOM 0 H ASP A 7 6.216 3.333 -3.818 1.00 0.00 H new ATOM 0 HA ASP A 7 4.318 4.186 -5.833 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.916 3.961 -5.951 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.635 2.251 -6.211 1.00 0.00 H new ATOM 97 N CYS A 8 3.086 2.087 -6.530 1.00 0.00 N ATOM 98 CA CYS A 8 2.251 0.877 -6.747 1.00 0.00 C ATOM 99 C CYS A 8 1.840 0.790 -8.218 1.00 0.00 C ATOM 100 O CYS A 8 0.693 0.554 -8.540 1.00 0.00 O ATOM 101 CB CYS A 8 1.004 0.981 -5.873 1.00 0.00 C ATOM 102 SG CYS A 8 1.493 1.383 -4.178 1.00 0.00 S ATOM 0 H CYS A 8 2.815 2.906 -7.074 1.00 0.00 H new ATOM 0 HA CYS A 8 2.818 -0.016 -6.484 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.336 1.749 -6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.454 0.040 -5.891 1.00 0.00 H new ATOM 107 N SER A 9 2.768 0.981 -9.117 1.00 0.00 N ATOM 108 CA SER A 9 2.426 0.911 -10.566 1.00 0.00 C ATOM 109 C SER A 9 2.605 -0.521 -11.074 1.00 0.00 C ATOM 110 O SER A 9 2.275 -0.835 -12.199 1.00 0.00 O ATOM 111 CB SER A 9 3.344 1.849 -11.350 1.00 0.00 C ATOM 112 OG SER A 9 2.570 2.897 -11.918 1.00 0.00 O ATOM 0 H SER A 9 3.746 1.182 -8.911 1.00 0.00 H new ATOM 0 HA SER A 9 1.388 1.213 -10.706 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.109 2.262 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.862 1.298 -12.135 1.00 0.00 H new ATOM 0 HG SER A 9 3.156 3.501 -12.420 1.00 0.00 H new ATOM 118 N GLU A 10 3.127 -1.394 -10.256 1.00 0.00 N ATOM 119 CA GLU A 10 3.325 -2.803 -10.701 1.00 0.00 C ATOM 120 C GLU A 10 2.204 -3.678 -10.138 1.00 0.00 C ATOM 121 O GLU A 10 2.279 -4.890 -10.157 1.00 0.00 O ATOM 122 CB GLU A 10 4.677 -3.309 -10.195 1.00 0.00 C ATOM 123 CG GLU A 10 5.788 -2.403 -10.728 1.00 0.00 C ATOM 124 CD GLU A 10 6.074 -1.294 -9.713 1.00 0.00 C ATOM 125 OE1 GLU A 10 5.443 -1.297 -8.669 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.917 -0.460 -9.998 1.00 0.00 O ATOM 0 H GLU A 10 3.424 -1.193 -9.301 1.00 0.00 H new ATOM 0 HA GLU A 10 3.305 -2.849 -11.790 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.690 -3.317 -9.105 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.840 -4.335 -10.524 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.691 -2.986 -10.910 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.491 -1.969 -11.683 1.00 0.00 H new ATOM 133 N TYR A 11 1.166 -3.070 -9.636 1.00 0.00 N ATOM 134 CA TYR A 11 0.042 -3.841 -9.072 1.00 0.00 C ATOM 135 C TYR A 11 -1.090 -3.892 -10.112 1.00 0.00 C ATOM 136 O TYR A 11 -1.120 -3.100 -11.033 1.00 0.00 O ATOM 137 CB TYR A 11 -0.407 -3.141 -7.784 1.00 0.00 C ATOM 138 CG TYR A 11 0.696 -3.272 -6.757 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.768 -2.372 -6.769 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.653 -4.296 -5.798 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.796 -2.492 -5.827 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.687 -4.416 -4.854 1.00 0.00 C ATOM 143 CZ TYR A 11 2.757 -3.513 -4.870 1.00 0.00 C ATOM 144 OH TYR A 11 3.773 -3.631 -3.944 1.00 0.00 O ATOM 0 H TYR A 11 1.054 -2.057 -9.596 1.00 0.00 H new ATOM 0 HA TYR A 11 0.331 -4.865 -8.836 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.620 -2.090 -7.979 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.328 -3.589 -7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.802 -1.584 -7.506 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.174 -4.991 -5.786 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.621 -1.795 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.656 -5.204 -4.116 1.00 0.00 H new ATOM 0 HH TYR A 11 4.443 -4.267 -4.272 1.00 0.00 H new ATOM 154 N PRO A 12 -1.962 -4.851 -9.951 1.00 0.00 N ATOM 155 CA PRO A 12 -1.900 -5.795 -8.829 1.00 0.00 C ATOM 156 C PRO A 12 -0.813 -6.850 -9.051 1.00 0.00 C ATOM 157 O PRO A 12 -0.339 -7.053 -10.152 1.00 0.00 O ATOM 158 CB PRO A 12 -3.287 -6.442 -8.823 1.00 0.00 C ATOM 159 CG PRO A 12 -3.851 -6.270 -10.256 1.00 0.00 C ATOM 160 CD PRO A 12 -3.075 -5.101 -10.892 1.00 0.00 C ATOM 0 HA PRO A 12 -1.652 -5.307 -7.886 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.223 -7.496 -8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.936 -5.964 -8.089 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.721 -7.183 -10.836 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.920 -6.058 -10.230 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.707 -5.360 -11.885 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.706 -4.219 -11.006 1.00 0.00 H new ATOM 168 N LYS A 13 -0.426 -7.523 -8.004 1.00 0.00 N ATOM 169 CA LYS A 13 0.622 -8.574 -8.125 1.00 0.00 C ATOM 170 C LYS A 13 -0.003 -9.932 -7.784 1.00 0.00 C ATOM 171 O LYS A 13 -0.813 -10.024 -6.883 1.00 0.00 O ATOM 172 CB LYS A 13 1.758 -8.271 -7.145 1.00 0.00 C ATOM 173 CG LYS A 13 1.901 -6.757 -6.965 1.00 0.00 C ATOM 174 CD LYS A 13 3.378 -6.367 -7.068 1.00 0.00 C ATOM 175 CE LYS A 13 4.153 -6.975 -5.896 1.00 0.00 C ATOM 176 NZ LYS A 13 5.434 -7.552 -6.394 1.00 0.00 N ATOM 0 H LYS A 13 -0.794 -7.389 -7.062 1.00 0.00 H new ATOM 0 HA LYS A 13 1.019 -8.593 -9.140 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.556 -8.743 -6.183 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.692 -8.692 -7.516 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.322 -6.233 -7.726 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.501 -6.456 -5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.792 -6.719 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.479 -5.282 -7.060 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.353 -6.212 -5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.556 -7.749 -5.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.961 -7.965 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.232 -8.292 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.004 -6.802 -6.835 1.00 0.00 H new ATOM 190 N PRO A 14 0.387 -10.949 -8.514 1.00 0.00 N ATOM 191 CA PRO A 14 -0.128 -12.316 -8.306 1.00 0.00 C ATOM 192 C PRO A 14 0.581 -12.977 -7.121 1.00 0.00 C ATOM 193 O PRO A 14 0.496 -14.172 -6.915 1.00 0.00 O ATOM 194 CB PRO A 14 0.204 -13.027 -9.619 1.00 0.00 C ATOM 195 CG PRO A 14 1.364 -12.232 -10.264 1.00 0.00 C ATOM 196 CD PRO A 14 1.358 -10.834 -9.623 1.00 0.00 C ATOM 0 HA PRO A 14 -1.192 -12.347 -8.073 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.496 -14.061 -9.438 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.664 -13.051 -10.278 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.317 -12.732 -10.092 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.231 -12.162 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.348 -10.558 -9.259 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.057 -10.069 -10.339 1.00 0.00 H new ATOM 204 N ALA A 15 1.271 -12.198 -6.342 1.00 0.00 N ATOM 205 CA ALA A 15 1.987 -12.749 -5.160 1.00 0.00 C ATOM 206 C ALA A 15 2.471 -11.591 -4.290 1.00 0.00 C ATOM 207 O ALA A 15 3.368 -10.858 -4.656 1.00 0.00 O ATOM 208 CB ALA A 15 3.186 -13.573 -5.618 1.00 0.00 C ATOM 0 H ALA A 15 1.371 -11.192 -6.474 1.00 0.00 H new ATOM 0 HA ALA A 15 1.312 -13.388 -4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.706 -13.974 -4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.844 -14.395 -6.246 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.866 -12.940 -6.188 1.00 0.00 H new ATOM 214 N CYS A 16 1.882 -11.420 -3.143 1.00 0.00 N ATOM 215 CA CYS A 16 2.303 -10.305 -2.248 1.00 0.00 C ATOM 216 C CYS A 16 3.336 -10.818 -1.247 1.00 0.00 C ATOM 217 O CYS A 16 3.271 -11.944 -0.797 1.00 0.00 O ATOM 218 CB CYS A 16 1.088 -9.764 -1.491 1.00 0.00 C ATOM 219 SG CYS A 16 -0.097 -9.072 -2.668 1.00 0.00 S ATOM 0 H CYS A 16 1.126 -12.003 -2.784 1.00 0.00 H new ATOM 0 HA CYS A 16 2.740 -9.507 -2.848 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.620 -10.562 -0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.400 -8.999 -0.780 1.00 0.00 H new ATOM 224 N THR A 17 4.289 -10.001 -0.891 1.00 0.00 N ATOM 225 CA THR A 17 5.316 -10.453 0.085 1.00 0.00 C ATOM 226 C THR A 17 4.613 -11.041 1.307 1.00 0.00 C ATOM 227 O THR A 17 3.401 -11.104 1.366 1.00 0.00 O ATOM 228 CB THR A 17 6.178 -9.268 0.519 1.00 0.00 C ATOM 229 OG1 THR A 17 5.341 -8.193 0.919 1.00 0.00 O ATOM 230 CG2 THR A 17 7.064 -8.822 -0.644 1.00 0.00 C ATOM 0 H THR A 17 4.400 -9.046 -1.232 1.00 0.00 H new ATOM 0 HA THR A 17 5.953 -11.206 -0.379 1.00 0.00 H new ATOM 0 HB THR A 17 6.808 -9.568 1.356 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.845 -7.585 1.499 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.677 -7.977 -0.331 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.710 -9.646 -0.947 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.438 -8.524 -1.485 1.00 0.00 H new ATOM 238 N LEU A 18 5.357 -11.476 2.284 1.00 0.00 N ATOM 239 CA LEU A 18 4.710 -12.059 3.489 1.00 0.00 C ATOM 240 C LEU A 18 5.141 -11.288 4.735 1.00 0.00 C ATOM 241 O LEU A 18 4.517 -11.376 5.775 1.00 0.00 O ATOM 242 CB LEU A 18 5.119 -13.525 3.636 1.00 0.00 C ATOM 243 CG LEU A 18 5.420 -14.125 2.261 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.935 -14.217 2.067 1.00 0.00 C ATOM 245 CD2 LEU A 18 4.815 -15.528 2.173 1.00 0.00 C ATOM 0 H LEU A 18 6.377 -11.453 2.300 1.00 0.00 H new ATOM 0 HA LEU A 18 3.628 -11.991 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.998 -13.603 4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.320 -14.087 4.120 1.00 0.00 H new ATOM 0 HG LEU A 18 4.988 -13.491 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.151 -14.644 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.371 -13.220 2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.363 -14.852 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.029 -15.956 1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.248 -16.160 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.736 -15.468 2.315 1.00 0.00 H new ATOM 257 N GLU A 19 6.195 -10.526 4.644 1.00 0.00 N ATOM 258 CA GLU A 19 6.644 -9.750 5.822 1.00 0.00 C ATOM 259 C GLU A 19 5.484 -8.891 6.295 1.00 0.00 C ATOM 260 O GLU A 19 4.356 -9.067 5.880 1.00 0.00 O ATOM 261 CB GLU A 19 7.826 -8.857 5.436 1.00 0.00 C ATOM 262 CG GLU A 19 7.376 -7.804 4.421 1.00 0.00 C ATOM 263 CD GLU A 19 7.744 -8.266 3.011 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.268 -9.360 2.884 1.00 0.00 O ATOM 265 OE2 GLU A 19 7.495 -7.518 2.079 1.00 0.00 O ATOM 0 H GLU A 19 6.761 -10.410 3.804 1.00 0.00 H new ATOM 0 HA GLU A 19 6.962 -10.424 6.617 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.229 -8.370 6.324 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.627 -9.463 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.300 -7.649 4.495 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.852 -6.848 4.638 1.00 0.00 H new ATOM 272 N TYR A 20 5.742 -7.964 7.153 1.00 0.00 N ATOM 273 CA TYR A 20 4.629 -7.105 7.636 1.00 0.00 C ATOM 274 C TYR A 20 5.032 -5.636 7.642 1.00 0.00 C ATOM 275 O TYR A 20 6.066 -5.248 8.150 1.00 0.00 O ATOM 276 CB TYR A 20 4.201 -7.524 9.037 1.00 0.00 C ATOM 277 CG TYR A 20 2.874 -6.877 9.362 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.840 -6.889 8.414 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.674 -6.268 10.605 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.612 -6.287 8.708 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.444 -5.666 10.901 1.00 0.00 C ATOM 282 CZ TYR A 20 0.413 -5.676 9.953 1.00 0.00 C ATOM 283 OH TYR A 20 -0.799 -5.083 10.245 1.00 0.00 O ATOM 0 H TYR A 20 6.662 -7.758 7.542 1.00 0.00 H new ATOM 0 HA TYR A 20 3.791 -7.233 6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.115 -8.609 9.095 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.954 -7.224 9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.992 -7.364 7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.468 -6.262 11.337 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.182 -6.293 7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.291 -5.194 11.860 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.770 -4.707 11.150 1.00 0.00 H new ATOM 293 N ARG A 21 4.188 -4.828 7.078 1.00 0.00 N ATOM 294 CA ARG A 21 4.432 -3.360 7.014 1.00 0.00 C ATOM 295 C ARG A 21 3.088 -2.692 6.735 1.00 0.00 C ATOM 296 O ARG A 21 2.786 -2.365 5.607 1.00 0.00 O ATOM 297 CB ARG A 21 5.406 -3.051 5.875 1.00 0.00 C ATOM 298 CG ARG A 21 6.817 -2.895 6.440 1.00 0.00 C ATOM 299 CD ARG A 21 7.022 -1.454 6.909 1.00 0.00 C ATOM 300 NE ARG A 21 7.840 -0.717 5.906 1.00 0.00 N ATOM 301 CZ ARG A 21 8.951 -0.139 6.271 1.00 0.00 C ATOM 302 NH1 ARG A 21 8.924 1.063 6.775 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.087 -0.766 6.136 1.00 0.00 N ATOM 0 H ARG A 21 3.314 -5.129 6.646 1.00 0.00 H new ATOM 0 HA ARG A 21 4.862 -2.995 7.947 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.385 -3.853 5.137 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.105 -2.137 5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.965 -3.584 7.272 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.555 -3.150 5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.058 -0.962 7.040 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.520 -1.443 7.879 1.00 0.00 H new ATOM 0 HE ARG A 21 7.532 -0.664 4.935 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.035 1.551 6.884 1.00 0.00 H new ATOM 0 HH12 ARG A 21 9.792 1.516 7.061 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.106 -1.708 5.745 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.956 -0.314 6.421 1.00 0.00 H new ATOM 317 N PRO A 22 2.305 -2.533 7.766 1.00 0.00 N ATOM 318 CA PRO A 22 0.957 -1.962 7.640 1.00 0.00 C ATOM 319 C PRO A 22 0.992 -0.527 7.144 1.00 0.00 C ATOM 320 O PRO A 22 1.540 0.344 7.783 1.00 0.00 O ATOM 321 CB PRO A 22 0.373 -2.073 9.054 1.00 0.00 C ATOM 322 CG PRO A 22 1.582 -2.226 10.004 1.00 0.00 C ATOM 323 CD PRO A 22 2.705 -2.850 9.152 1.00 0.00 C ATOM 0 HA PRO A 22 0.350 -2.487 6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.211 -1.188 9.305 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.296 -2.930 9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.887 -1.261 10.408 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.335 -2.863 10.853 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.678 -2.423 9.396 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.779 -3.926 9.312 1.00 0.00 H new ATOM 331 N LEU A 23 0.415 -0.269 5.997 1.00 0.00 N ATOM 332 CA LEU A 23 0.429 1.121 5.486 1.00 0.00 C ATOM 333 C LEU A 23 -0.970 1.720 5.587 1.00 0.00 C ATOM 334 O LEU A 23 -1.952 1.114 5.199 1.00 0.00 O ATOM 335 CB LEU A 23 0.897 1.114 4.041 1.00 0.00 C ATOM 336 CG LEU A 23 2.148 0.251 3.954 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.869 -0.954 3.062 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.292 1.075 3.374 1.00 0.00 C ATOM 0 H LEU A 23 -0.056 -0.954 5.406 1.00 0.00 H new ATOM 0 HA LEU A 23 1.111 1.728 6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.117 0.720 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.110 2.129 3.705 1.00 0.00 H new ATOM 0 HG LEU A 23 2.427 -0.096 4.949 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.763 -1.574 2.998 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.052 -1.538 3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.592 -0.612 2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.189 0.459 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.021 1.424 2.378 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.486 1.933 4.018 1.00 0.00 H new ATOM 350 N CYS A 24 -1.060 2.910 6.106 1.00 0.00 N ATOM 351 CA CYS A 24 -2.387 3.576 6.237 1.00 0.00 C ATOM 352 C CYS A 24 -2.750 4.178 4.888 1.00 0.00 C ATOM 353 O CYS A 24 -2.048 5.023 4.372 1.00 0.00 O ATOM 354 CB CYS A 24 -2.295 4.700 7.279 1.00 0.00 C ATOM 355 SG CYS A 24 -3.584 5.954 6.995 1.00 0.00 S ATOM 0 H CYS A 24 -0.268 3.455 6.448 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.141 2.854 6.551 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.402 4.283 8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.311 5.166 7.231 1.00 0.00 H new ATOM 360 N GLY A 25 -3.842 3.779 4.319 1.00 0.00 N ATOM 361 CA GLY A 25 -4.219 4.371 3.019 1.00 0.00 C ATOM 362 C GLY A 25 -4.668 5.824 3.246 1.00 0.00 C ATOM 363 O GLY A 25 -4.387 6.407 4.275 1.00 0.00 O ATOM 0 H GLY A 25 -4.483 3.078 4.691 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.374 4.341 2.331 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.023 3.795 2.561 1.00 0.00 H new ATOM 367 N SER A 26 -5.354 6.418 2.303 1.00 0.00 N ATOM 368 CA SER A 26 -5.797 7.834 2.493 1.00 0.00 C ATOM 369 C SER A 26 -7.119 7.869 3.263 1.00 0.00 C ATOM 370 O SER A 26 -7.261 8.586 4.233 1.00 0.00 O ATOM 371 CB SER A 26 -5.991 8.502 1.133 1.00 0.00 C ATOM 372 OG SER A 26 -6.571 9.786 1.320 1.00 0.00 O ATOM 0 H SER A 26 -5.625 5.990 1.418 1.00 0.00 H new ATOM 0 HA SER A 26 -5.033 8.369 3.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.034 8.594 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.633 7.888 0.502 1.00 0.00 H new ATOM 0 HG SER A 26 -6.696 10.219 0.450 1.00 0.00 H new ATOM 378 N ASP A 27 -8.088 7.101 2.842 1.00 0.00 N ATOM 379 CA ASP A 27 -9.398 7.098 3.558 1.00 0.00 C ATOM 380 C ASP A 27 -9.174 6.728 5.027 1.00 0.00 C ATOM 381 O ASP A 27 -10.042 6.922 5.854 1.00 0.00 O ATOM 382 CB ASP A 27 -10.338 6.078 2.910 1.00 0.00 C ATOM 383 CG ASP A 27 -9.689 4.694 2.940 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.737 4.494 2.203 1.00 0.00 O ATOM 385 OD2 ASP A 27 -10.155 3.860 3.698 1.00 0.00 O ATOM 0 H ASP A 27 -8.030 6.478 2.037 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.847 8.090 3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.290 6.056 3.441 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.553 6.368 1.882 1.00 0.00 H new ATOM 390 N ASN A 28 -8.011 6.200 5.339 1.00 0.00 N ATOM 391 CA ASN A 28 -7.668 5.804 6.742 1.00 0.00 C ATOM 392 C ASN A 28 -7.891 4.304 6.933 1.00 0.00 C ATOM 393 O ASN A 28 -8.450 3.874 7.922 1.00 0.00 O ATOM 394 CB ASN A 28 -8.515 6.575 7.758 1.00 0.00 C ATOM 395 CG ASN A 28 -7.926 6.387 9.157 1.00 0.00 C ATOM 396 OD1 ASN A 28 -6.989 7.064 9.531 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.439 5.486 9.950 1.00 0.00 N ATOM 0 H ASN A 28 -7.269 6.024 4.662 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.618 6.045 6.910 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.538 7.634 7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.545 6.219 7.734 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.053 5.350 10.884 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.226 4.918 9.635 1.00 0.00 H new ATOM 404 N LYS A 29 -7.444 3.500 6.007 1.00 0.00 N ATOM 405 CA LYS A 29 -7.618 2.030 6.162 1.00 0.00 C ATOM 406 C LYS A 29 -6.248 1.357 6.095 1.00 0.00 C ATOM 407 O LYS A 29 -5.565 1.372 5.091 1.00 0.00 O ATOM 408 CB LYS A 29 -8.536 1.490 5.063 1.00 0.00 C ATOM 409 CG LYS A 29 -7.980 1.875 3.700 1.00 0.00 C ATOM 410 CD LYS A 29 -8.453 0.868 2.650 1.00 0.00 C ATOM 411 CE LYS A 29 -9.095 1.616 1.480 1.00 0.00 C ATOM 412 NZ LYS A 29 -10.550 1.797 1.746 1.00 0.00 N ATOM 0 H LYS A 29 -6.969 3.796 5.155 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.079 1.814 7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.616 0.406 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.541 1.893 5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.311 2.878 3.431 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.891 1.897 3.733 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.611 0.272 2.297 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.171 0.176 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.615 2.586 1.347 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.950 1.059 0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.000 2.245 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.989 0.870 1.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.677 2.403 2.582 1.00 0.00 H new ATOM 426 N THR A 30 -5.837 0.780 7.172 1.00 0.00 N ATOM 427 CA THR A 30 -4.510 0.107 7.201 1.00 0.00 C ATOM 428 C THR A 30 -4.487 -1.010 6.160 1.00 0.00 C ATOM 429 O THR A 30 -5.512 -1.534 5.770 1.00 0.00 O ATOM 430 CB THR A 30 -4.272 -0.514 8.583 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.074 0.511 9.541 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.037 -1.421 8.535 1.00 0.00 C ATOM 0 H THR A 30 -6.361 0.740 8.046 1.00 0.00 H new ATOM 0 HA THR A 30 -3.735 0.842 6.986 1.00 0.00 H new ATOM 0 HB THR A 30 -5.143 -1.106 8.865 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.657 0.355 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.870 -1.861 9.518 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.196 -2.214 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.165 -0.833 8.248 1.00 0.00 H new ATOM 440 N TYR A 31 -3.321 -1.408 5.740 1.00 0.00 N ATOM 441 CA TYR A 31 -3.215 -2.521 4.766 1.00 0.00 C ATOM 442 C TYR A 31 -2.194 -3.498 5.340 1.00 0.00 C ATOM 443 O TYR A 31 -1.300 -3.092 6.051 1.00 0.00 O ATOM 444 CB TYR A 31 -2.802 -1.993 3.391 1.00 0.00 C ATOM 445 CG TYR A 31 -4.028 -1.965 2.510 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.630 -3.162 2.108 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.573 -0.739 2.107 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.774 -3.135 1.300 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.716 -0.711 1.301 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.317 -1.909 0.897 1.00 0.00 C ATOM 451 OH TYR A 31 -7.445 -1.882 0.102 1.00 0.00 O ATOM 0 H TYR A 31 -2.431 -1.005 6.033 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.171 -3.023 4.618 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.375 -0.994 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.034 -2.631 2.954 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.212 -4.108 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.110 0.186 2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.237 -4.060 0.988 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.135 0.235 0.990 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.691 -0.952 -0.085 1.00 0.00 H new ATOM 461 N GLY A 32 -2.339 -4.781 5.102 1.00 0.00 N ATOM 462 CA GLY A 32 -1.399 -5.754 5.726 1.00 0.00 C ATOM 463 C GLY A 32 0.055 -5.393 5.437 1.00 0.00 C ATOM 464 O GLY A 32 0.917 -5.550 6.278 1.00 0.00 O ATOM 0 H GLY A 32 -3.061 -5.189 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.561 -5.778 6.804 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.608 -6.755 5.350 1.00 0.00 H new ATOM 468 N ASN A 33 0.350 -4.918 4.268 1.00 0.00 N ATOM 469 CA ASN A 33 1.760 -4.566 3.966 1.00 0.00 C ATOM 470 C ASN A 33 1.816 -3.737 2.694 1.00 0.00 C ATOM 471 O ASN A 33 0.828 -3.190 2.254 1.00 0.00 O ATOM 472 CB ASN A 33 2.604 -5.834 3.809 1.00 0.00 C ATOM 473 CG ASN A 33 2.042 -6.692 2.680 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.166 -6.264 1.968 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.514 -7.892 2.486 1.00 0.00 N ATOM 0 H ASN A 33 -0.316 -4.758 3.512 1.00 0.00 H new ATOM 0 HA ASN A 33 2.166 -3.983 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.639 -5.569 3.596 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.605 -6.399 4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.143 -8.470 1.732 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.254 -8.252 3.088 1.00 0.00 H new ATOM 482 N LYS A 34 2.969 -3.617 2.114 1.00 0.00 N ATOM 483 CA LYS A 34 3.090 -2.792 0.886 1.00 0.00 C ATOM 484 C LYS A 34 2.201 -3.345 -0.224 1.00 0.00 C ATOM 485 O LYS A 34 1.636 -2.598 -0.984 1.00 0.00 O ATOM 486 CB LYS A 34 4.544 -2.778 0.421 1.00 0.00 C ATOM 487 CG LYS A 34 5.136 -4.182 0.569 1.00 0.00 C ATOM 488 CD LYS A 34 6.171 -4.416 -0.531 1.00 0.00 C ATOM 489 CE LYS A 34 5.521 -4.205 -1.901 1.00 0.00 C ATOM 490 NZ LYS A 34 6.238 -3.121 -2.630 1.00 0.00 N ATOM 0 H LYS A 34 3.834 -4.053 2.435 1.00 0.00 H new ATOM 0 HA LYS A 34 2.768 -1.776 1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.602 -2.454 -0.618 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.119 -2.064 1.010 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.600 -4.291 1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.346 -4.930 0.505 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.010 -3.732 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.571 -5.427 -0.459 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.555 -5.129 -2.478 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.470 -3.943 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.692 -2.849 -3.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.346 -2.296 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.177 -3.461 -2.921 1.00 0.00 H new ATOM 504 N CYS A 35 2.064 -4.635 -0.341 1.00 0.00 N ATOM 505 CA CYS A 35 1.190 -5.169 -1.413 1.00 0.00 C ATOM 506 C CYS A 35 -0.259 -4.847 -1.058 1.00 0.00 C ATOM 507 O CYS A 35 -0.919 -4.098 -1.738 1.00 0.00 O ATOM 508 CB CYS A 35 1.371 -6.683 -1.532 1.00 0.00 C ATOM 509 SG CYS A 35 0.655 -7.250 -3.096 1.00 0.00 S ATOM 0 H CYS A 35 2.514 -5.333 0.252 1.00 0.00 H new ATOM 0 HA CYS A 35 1.453 -4.714 -2.368 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.430 -6.939 -1.490 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.888 -7.186 -0.694 1.00 0.00 H new ATOM 514 N ASN A 36 -0.752 -5.399 0.013 1.00 0.00 N ATOM 515 CA ASN A 36 -2.157 -5.117 0.424 1.00 0.00 C ATOM 516 C ASN A 36 -2.462 -3.625 0.213 1.00 0.00 C ATOM 517 O ASN A 36 -3.547 -3.256 -0.184 1.00 0.00 O ATOM 518 CB ASN A 36 -2.362 -5.472 1.909 1.00 0.00 C ATOM 519 CG ASN A 36 -1.491 -6.671 2.306 1.00 0.00 C ATOM 520 OD1 ASN A 36 -0.975 -6.733 3.398 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.314 -7.633 1.461 1.00 0.00 N ATOM 0 H ASN A 36 -0.242 -6.036 0.625 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.830 -5.723 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.112 -4.613 2.531 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.412 -5.703 2.091 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.742 -8.438 1.717 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.746 -7.587 0.538 1.00 0.00 H new ATOM 528 N PHE A 37 -1.509 -2.763 0.473 1.00 0.00 N ATOM 529 CA PHE A 37 -1.751 -1.298 0.291 1.00 0.00 C ATOM 530 C PHE A 37 -1.807 -0.950 -1.193 1.00 0.00 C ATOM 531 O PHE A 37 -2.775 -0.421 -1.704 1.00 0.00 O ATOM 532 CB PHE A 37 -0.604 -0.499 0.938 1.00 0.00 C ATOM 533 CG PHE A 37 -0.821 0.963 0.685 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.076 1.533 0.870 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.242 1.731 0.227 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.274 2.895 0.595 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.057 3.090 -0.047 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.204 3.673 0.138 1.00 0.00 C ATOM 0 H PHE A 37 -0.576 -3.010 0.803 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.701 -1.044 0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.568 -0.694 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.354 -0.814 0.524 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.897 0.928 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.212 1.278 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.248 3.341 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.884 3.689 -0.400 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.350 4.722 -0.072 1.00 0.00 H new ATOM 548 N CYS A 38 -0.743 -1.227 -1.854 1.00 0.00 N ATOM 549 CA CYS A 38 -0.613 -0.922 -3.310 1.00 0.00 C ATOM 550 C CYS A 38 -1.782 -1.512 -4.103 1.00 0.00 C ATOM 551 O CYS A 38 -2.496 -0.798 -4.774 1.00 0.00 O ATOM 552 CB CYS A 38 0.699 -1.506 -3.829 1.00 0.00 C ATOM 553 SG CYS A 38 2.058 -0.393 -3.401 1.00 0.00 S ATOM 0 H CYS A 38 0.080 -1.668 -1.444 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.622 0.160 -3.440 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.869 -2.491 -3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.649 -1.639 -4.910 1.00 0.00 H new ATOM 558 N ASN A 39 -1.978 -2.805 -4.042 1.00 0.00 N ATOM 559 CA ASN A 39 -3.096 -3.433 -4.789 1.00 0.00 C ATOM 560 C ASN A 39 -4.319 -2.521 -4.716 1.00 0.00 C ATOM 561 O ASN A 39 -5.121 -2.458 -5.627 1.00 0.00 O ATOM 562 CB ASN A 39 -3.409 -4.782 -4.148 1.00 0.00 C ATOM 563 CG ASN A 39 -2.634 -5.882 -4.867 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.517 -5.870 -6.074 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.097 -6.842 -4.170 1.00 0.00 N ATOM 0 H ASN A 39 -1.404 -3.452 -3.501 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.824 -3.580 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.141 -4.765 -3.092 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.479 -4.982 -4.202 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.578 -7.584 -4.639 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.196 -6.852 -3.155 1.00 0.00 H new ATOM 572 N ALA A 40 -4.446 -1.786 -3.647 1.00 0.00 N ATOM 573 CA ALA A 40 -5.590 -0.850 -3.518 1.00 0.00 C ATOM 574 C ALA A 40 -5.327 0.349 -4.429 1.00 0.00 C ATOM 575 O ALA A 40 -6.157 0.737 -5.226 1.00 0.00 O ATOM 576 CB ALA A 40 -5.698 -0.382 -2.067 1.00 0.00 C ATOM 0 H ALA A 40 -3.803 -1.795 -2.856 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.521 -1.341 -3.802 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.538 0.306 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.856 -1.243 -1.418 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.777 0.125 -1.779 1.00 0.00 H new ATOM 582 N VAL A 41 -4.165 0.930 -4.313 1.00 0.00 N ATOM 583 CA VAL A 41 -3.811 2.099 -5.164 1.00 0.00 C ATOM 584 C VAL A 41 -4.017 1.758 -6.644 1.00 0.00 C ATOM 585 O VAL A 41 -4.760 2.412 -7.344 1.00 0.00 O ATOM 586 CB VAL A 41 -2.338 2.446 -4.938 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.933 3.603 -5.856 1.00 0.00 C ATOM 588 CG2 VAL A 41 -2.126 2.845 -3.475 1.00 0.00 C ATOM 0 H VAL A 41 -3.439 0.641 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.449 2.942 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.722 1.577 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.883 3.847 -5.692 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.080 3.311 -6.896 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.547 4.476 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.077 3.092 -3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.743 3.712 -3.241 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.407 2.015 -2.827 1.00 0.00 H new ATOM 598 N VAL A 42 -3.339 0.755 -7.130 1.00 0.00 N ATOM 599 CA VAL A 42 -3.460 0.385 -8.559 1.00 0.00 C ATOM 600 C VAL A 42 -4.897 -0.022 -8.911 1.00 0.00 C ATOM 601 O VAL A 42 -5.313 0.097 -10.047 1.00 0.00 O ATOM 602 CB VAL A 42 -2.502 -0.771 -8.841 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.957 -2.025 -8.092 1.00 0.00 C ATOM 604 CG2 VAL A 42 -2.481 -1.050 -10.337 1.00 0.00 C ATOM 0 H VAL A 42 -2.701 0.173 -6.588 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.206 1.248 -9.175 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.502 -0.501 -8.502 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.267 -2.843 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.970 -1.824 -7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.958 -2.302 -8.421 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.799 -1.874 -10.544 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.484 -1.316 -10.672 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.146 -0.159 -10.869 1.00 0.00 H new ATOM 614 N GLU A 43 -5.668 -0.497 -7.968 1.00 0.00 N ATOM 615 CA GLU A 43 -7.065 -0.888 -8.301 1.00 0.00 C ATOM 616 C GLU A 43 -7.995 0.300 -8.062 1.00 0.00 C ATOM 617 O GLU A 43 -9.160 0.267 -8.406 1.00 0.00 O ATOM 618 CB GLU A 43 -7.505 -2.065 -7.426 1.00 0.00 C ATOM 619 CG GLU A 43 -8.346 -3.027 -8.265 1.00 0.00 C ATOM 620 CD GLU A 43 -9.424 -3.663 -7.385 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.553 -3.247 -6.246 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.102 -4.555 -7.866 1.00 0.00 O ATOM 0 H GLU A 43 -5.394 -0.629 -6.995 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.112 -1.187 -9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.633 -2.581 -7.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.083 -1.705 -6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.808 -2.493 -9.096 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.711 -3.801 -8.697 1.00 0.00 H new ATOM 629 N SER A 44 -7.495 1.347 -7.464 1.00 0.00 N ATOM 630 CA SER A 44 -8.365 2.524 -7.195 1.00 0.00 C ATOM 631 C SER A 44 -7.973 3.694 -8.104 1.00 0.00 C ATOM 632 O SER A 44 -8.320 4.829 -7.845 1.00 0.00 O ATOM 633 CB SER A 44 -8.219 2.942 -5.731 1.00 0.00 C ATOM 634 OG SER A 44 -7.187 3.912 -5.619 1.00 0.00 O ATOM 0 H SER A 44 -6.528 1.437 -7.152 1.00 0.00 H new ATOM 0 HA SER A 44 -9.401 2.252 -7.398 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.160 3.351 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.986 2.074 -5.115 1.00 0.00 H new ATOM 0 HG SER A 44 -6.369 3.569 -6.036 1.00 0.00 H new ATOM 640 N ASN A 45 -7.263 3.430 -9.167 1.00 0.00 N ATOM 641 CA ASN A 45 -6.856 4.525 -10.089 1.00 0.00 C ATOM 642 C ASN A 45 -5.935 5.504 -9.354 1.00 0.00 C ATOM 643 O ASN A 45 -5.689 6.604 -9.807 1.00 0.00 O ATOM 644 CB ASN A 45 -8.099 5.258 -10.592 1.00 0.00 C ATOM 645 CG ASN A 45 -8.760 4.437 -11.701 1.00 0.00 C ATOM 646 OD1 ASN A 45 -8.616 3.232 -11.748 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.483 5.043 -12.604 1.00 0.00 N ATOM 0 H ASN A 45 -6.947 2.498 -9.436 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.320 4.102 -10.939 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.800 5.413 -9.772 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.826 6.244 -10.968 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.926 4.504 -13.348 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -9.604 6.055 -12.565 1.00 0.00 H new ATOM 654 N GLY A 46 -5.418 5.103 -8.226 1.00 0.00 N ATOM 655 CA GLY A 46 -4.498 5.990 -7.452 1.00 0.00 C ATOM 656 C GLY A 46 -5.294 7.062 -6.710 1.00 0.00 C ATOM 657 O GLY A 46 -4.757 8.068 -6.288 1.00 0.00 O ATOM 0 H GLY A 46 -5.593 4.192 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.923 5.397 -6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.783 6.460 -8.127 1.00 0.00 H new ATOM 661 N THR A 47 -6.560 6.840 -6.516 1.00 0.00 N ATOM 662 CA THR A 47 -7.381 7.825 -5.764 1.00 0.00 C ATOM 663 C THR A 47 -7.311 7.465 -4.278 1.00 0.00 C ATOM 664 O THR A 47 -7.851 8.146 -3.430 1.00 0.00 O ATOM 665 CB THR A 47 -8.833 7.757 -6.245 1.00 0.00 C ATOM 666 OG1 THR A 47 -9.429 6.555 -5.778 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.868 7.788 -7.774 1.00 0.00 C ATOM 0 H THR A 47 -7.064 6.017 -6.846 1.00 0.00 H new ATOM 0 HA THR A 47 -7.005 8.835 -5.926 1.00 0.00 H new ATOM 0 HB THR A 47 -9.386 8.611 -5.855 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.158 5.810 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.902 7.740 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.411 8.712 -8.130 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.316 6.935 -8.168 1.00 0.00 H new ATOM 675 N LEU A 48 -6.635 6.389 -3.966 1.00 0.00 N ATOM 676 CA LEU A 48 -6.497 5.949 -2.568 1.00 0.00 C ATOM 677 C LEU A 48 -5.318 6.686 -1.936 1.00 0.00 C ATOM 678 O LEU A 48 -5.480 7.649 -1.218 1.00 0.00 O ATOM 679 CB LEU A 48 -6.240 4.439 -2.605 1.00 0.00 C ATOM 680 CG LEU A 48 -5.565 3.960 -1.326 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.592 3.919 -0.208 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.005 2.562 -1.573 1.00 0.00 C ATOM 0 H LEU A 48 -6.166 5.791 -4.647 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.388 6.164 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.184 3.911 -2.740 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.613 4.196 -3.463 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.758 4.635 -1.041 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.116 3.577 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.003 4.917 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.396 3.234 -0.477 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.517 2.200 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.817 1.887 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.280 2.599 -2.386 1.00 0.00 H new ATOM 694 N THR A 49 -4.138 6.222 -2.197 1.00 0.00 N ATOM 695 CA THR A 49 -2.929 6.853 -1.623 1.00 0.00 C ATOM 696 C THR A 49 -2.928 6.603 -0.128 1.00 0.00 C ATOM 697 O THR A 49 -3.871 6.090 0.418 1.00 0.00 O ATOM 698 CB THR A 49 -2.934 8.357 -1.884 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.514 9.030 -0.774 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.734 8.662 -3.145 1.00 0.00 C ATOM 0 H THR A 49 -3.956 5.416 -2.796 1.00 0.00 H new ATOM 0 HA THR A 49 -2.040 6.426 -2.087 1.00 0.00 H new ATOM 0 HB THR A 49 -1.909 8.701 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.484 9.088 -0.897 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.733 9.737 -3.325 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.282 8.151 -3.995 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.760 8.316 -3.018 1.00 0.00 H new ATOM 708 N LEU A 50 -1.868 6.932 0.530 1.00 0.00 N ATOM 709 CA LEU A 50 -1.793 6.695 1.985 1.00 0.00 C ATOM 710 C LEU A 50 -1.457 8.007 2.706 1.00 0.00 C ATOM 711 O LEU A 50 -1.081 8.984 2.090 1.00 0.00 O ATOM 712 CB LEU A 50 -0.743 5.602 2.191 1.00 0.00 C ATOM 713 CG LEU A 50 0.285 5.961 3.253 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.894 4.665 3.732 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.375 6.844 2.638 1.00 0.00 C ATOM 0 H LEU A 50 -1.039 7.360 0.118 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.741 6.361 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.242 4.675 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.232 5.414 1.247 1.00 0.00 H new ATOM 0 HG LEU A 50 -0.177 6.506 4.076 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.640 4.875 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.114 4.029 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.368 4.154 2.894 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.110 7.100 3.401 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.866 6.305 1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.926 7.757 2.247 1.00 0.00 H new ATOM 727 N SER A 51 -1.593 8.037 4.005 1.00 0.00 N ATOM 728 CA SER A 51 -1.288 9.281 4.754 1.00 0.00 C ATOM 729 C SER A 51 0.022 9.071 5.498 1.00 0.00 C ATOM 730 O SER A 51 0.812 9.978 5.671 1.00 0.00 O ATOM 731 CB SER A 51 -2.381 9.565 5.792 1.00 0.00 C ATOM 732 OG SER A 51 -2.655 10.959 5.820 1.00 0.00 O ATOM 0 H SER A 51 -1.903 7.251 4.576 1.00 0.00 H new ATOM 0 HA SER A 51 -1.228 10.116 4.056 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.286 9.010 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.059 9.227 6.777 1.00 0.00 H new ATOM 0 HG SER A 51 -3.354 11.142 6.482 1.00 0.00 H new ATOM 738 N HIS A 52 0.240 7.874 5.953 1.00 0.00 N ATOM 739 CA HIS A 52 1.480 7.574 6.706 1.00 0.00 C ATOM 740 C HIS A 52 1.696 6.065 6.732 1.00 0.00 C ATOM 741 O HIS A 52 0.806 5.289 6.444 1.00 0.00 O ATOM 742 CB HIS A 52 1.321 8.075 8.138 1.00 0.00 C ATOM 743 CG HIS A 52 0.224 7.294 8.808 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.396 6.693 10.045 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.057 6.982 8.415 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.749 6.056 10.349 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.666 6.204 9.393 1.00 0.00 N ATOM 0 H HIS A 52 -0.394 7.084 5.834 1.00 0.00 H new ATOM 0 HA HIS A 52 2.330 8.062 6.230 1.00 0.00 H new ATOM 0 HB2 HIS A 52 2.256 7.956 8.685 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.083 9.139 8.141 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.518 7.293 7.489 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.906 5.493 11.257 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.614 5.827 9.381 1.00 0.00 H new ATOM 755 N PHE A 53 2.869 5.643 7.087 1.00 0.00 N ATOM 756 CA PHE A 53 3.149 4.187 7.150 1.00 0.00 C ATOM 757 C PHE A 53 2.590 3.630 8.458 1.00 0.00 C ATOM 758 O PHE A 53 2.092 4.359 9.292 1.00 0.00 O ATOM 759 CB PHE A 53 4.659 3.960 7.093 1.00 0.00 C ATOM 760 CG PHE A 53 5.162 4.309 5.714 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.333 5.651 5.351 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.450 3.293 4.794 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.795 5.976 4.071 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.912 3.619 3.514 1.00 0.00 C ATOM 765 CZ PHE A 53 6.083 4.960 3.152 1.00 0.00 C ATOM 0 H PHE A 53 3.652 6.246 7.338 1.00 0.00 H new ATOM 0 HA PHE A 53 2.679 3.679 6.308 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.160 4.574 7.842 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.892 2.921 7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.108 6.435 6.059 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.316 2.258 5.072 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.929 7.011 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.137 2.836 2.805 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.437 5.211 2.163 1.00 0.00 H new ATOM 775 N GLY A 54 2.661 2.344 8.642 1.00 0.00 N ATOM 776 CA GLY A 54 2.129 1.740 9.892 1.00 0.00 C ATOM 777 C GLY A 54 0.607 1.611 9.784 1.00 0.00 C ATOM 778 O GLY A 54 0.029 1.804 8.733 1.00 0.00 O ATOM 0 H GLY A 54 3.066 1.683 7.979 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.578 0.760 10.056 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.393 2.359 10.750 1.00 0.00 H new ATOM 782 N LYS A 55 -0.050 1.302 10.865 1.00 0.00 N ATOM 783 CA LYS A 55 -1.534 1.175 10.821 1.00 0.00 C ATOM 784 C LYS A 55 -2.179 2.524 11.144 1.00 0.00 C ATOM 785 O LYS A 55 -1.857 3.158 12.130 1.00 0.00 O ATOM 786 CB LYS A 55 -2.003 0.137 11.845 1.00 0.00 C ATOM 787 CG LYS A 55 -0.869 -0.845 12.150 1.00 0.00 C ATOM 788 CD LYS A 55 -1.454 -2.160 12.667 1.00 0.00 C ATOM 789 CE LYS A 55 -0.336 -3.014 13.269 1.00 0.00 C ATOM 790 NZ LYS A 55 0.349 -2.248 14.348 1.00 0.00 N ATOM 0 H LYS A 55 0.375 1.132 11.777 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.829 0.857 9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.320 0.635 12.761 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.868 -0.402 11.459 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.280 -1.026 11.251 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.195 -0.418 12.893 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.218 -1.960 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.940 -2.699 11.854 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.748 -3.940 13.671 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.380 -3.293 12.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.772 -2.910 15.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.096 -1.655 13.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.342 -1.643 14.836 1.00 0.00 H new ATOM 804 N CYS A 56 -3.089 2.964 10.321 1.00 0.00 N ATOM 805 CA CYS A 56 -3.765 4.267 10.575 1.00 0.00 C ATOM 806 C CYS A 56 -4.545 4.187 11.888 1.00 0.00 C ATOM 807 O CYS A 56 -5.386 3.312 12.003 1.00 0.00 O ATOM 808 CB CYS A 56 -4.732 4.568 9.427 1.00 0.00 C ATOM 809 SG CYS A 56 -4.431 6.240 8.807 1.00 0.00 S ATOM 810 OXT CYS A 56 -4.288 5.005 12.757 1.00 0.00 O ATOM 0 H CYS A 56 -3.395 2.475 9.480 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.019 5.059 10.642 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.598 3.842 8.625 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.762 4.476 9.772 1.00 0.00 H new TER 815 CYS A 56