USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 20 CYS SG : rot 104:sc= -0.726 USER MOD Set 1.2: A 69 TYR OH : rot -177:sc= 0.0203 USER MOD Set 2.1: A 57 THR OG1 : rot -163:sc= -0.224 USER MOD Set 2.2: A 61 GLN : amide:sc= -1.61 K(o=-1.8,f=1.2) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.692! K(o=-0.39!,f=1.7) USER MOD Set 3.2: A 35 THR OG1 : rot 90:sc= 0.306 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 140:sc= 0 (180deg=-1.42) USER MOD Single : A 11 GLN : amide:sc= -1.76 K(o=-1.8,f=0.016) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 159:sc= -2.02 (180deg=-3.52!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0542 USER MOD Single : A 17 CYS SG : rot -87:sc= 0.25 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -144:sc= 1.56 (180deg=-0.664!) USER MOD Single : A 31 MET CE :methyl -167:sc= -0.411 (180deg=-0.55) USER MOD Single : A 38 ASN : amide:sc= -0.0158 X(o=-0.016,f=-0.24) USER MOD Single : A 40 ASN : amide:sc= -0.158 K(o=-0.16,f=-2.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 67:sc= 1.21 USER MOD Single : A 47 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.69) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot -149:sc= -0.605 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 1.11 (180deg=1.07) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HD1:sc= -0.976 K(o=-0.98,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.789 -1.793 -25.846 1.00 5.09 N ATOM 2 CA MET A 1 6.875 -0.914 -26.318 1.00 4.01 C ATOM 3 C MET A 1 7.114 0.164 -25.269 1.00 2.83 C ATOM 4 O MET A 1 8.046 0.052 -24.481 1.00 3.04 O ATOM 5 CB MET A 1 6.575 -0.298 -27.696 1.00 4.77 C ATOM 6 CG MET A 1 6.988 -1.207 -28.859 1.00 6.03 C ATOM 7 SD MET A 1 6.762 -0.440 -30.485 1.00 7.38 S ATOM 8 CE MET A 1 7.525 -1.689 -31.544 1.00 8.57 C ATOM 0 H1 MET A 1 5.612 -2.536 -26.552 1.00 5.09 H new ATOM 0 H2 MET A 1 6.064 -2.231 -24.944 1.00 5.09 H new ATOM 0 H3 MET A 1 4.924 -1.233 -25.709 1.00 5.09 H new ATOM 0 HA MET A 1 7.778 -1.511 -26.450 1.00 4.01 H new ATOM 0 HB2 MET A 1 5.508 -0.085 -27.769 1.00 4.77 H new ATOM 0 HB3 MET A 1 7.097 0.655 -27.784 1.00 4.77 H new ATOM 0 HG2 MET A 1 8.035 -1.486 -28.739 1.00 6.03 H new ATOM 0 HG3 MET A 1 6.406 -2.128 -28.815 1.00 6.03 H new ATOM 0 HE1 MET A 1 7.469 -1.368 -32.584 1.00 8.57 H new ATOM 0 HE2 MET A 1 8.569 -1.818 -31.260 1.00 8.57 H new ATOM 0 HE3 MET A 1 6.998 -2.636 -31.428 1.00 8.57 H new ATOM 20 N LEU A 2 6.228 1.163 -25.224 1.00 2.73 N ATOM 21 CA LEU A 2 6.177 2.095 -24.109 1.00 2.48 C ATOM 22 C LEU A 2 5.733 1.344 -22.844 1.00 2.12 C ATOM 23 O LEU A 2 5.410 0.154 -22.916 1.00 2.72 O ATOM 24 CB LEU A 2 5.244 3.266 -24.473 1.00 3.66 C ATOM 25 CG LEU A 2 5.766 4.649 -24.041 1.00 4.97 C ATOM 26 CD1 LEU A 2 7.054 5.040 -24.782 1.00 5.94 C ATOM 27 CD2 LEU A 2 4.692 5.698 -24.357 1.00 6.24 C ATOM 0 H LEU A 2 5.537 1.342 -25.952 1.00 2.73 H new ATOM 0 HA LEU A 2 7.160 2.518 -23.903 1.00 2.48 H new ATOM 0 HB2 LEU A 2 5.089 3.270 -25.552 1.00 3.66 H new ATOM 0 HB3 LEU A 2 4.271 3.097 -24.011 1.00 3.66 H new ATOM 0 HG LEU A 2 5.987 4.605 -22.975 1.00 4.97 H new ATOM 0 HD11 LEU A 2 7.384 6.022 -24.444 1.00 5.94 H new ATOM 0 HD12 LEU A 2 7.831 4.305 -24.574 1.00 5.94 H new ATOM 0 HD13 LEU A 2 6.862 5.071 -25.854 1.00 5.94 H new ATOM 0 HD21 LEU A 2 5.047 6.684 -24.057 1.00 6.24 H new ATOM 0 HD22 LEU A 2 4.486 5.697 -25.427 1.00 6.24 H new ATOM 0 HD23 LEU A 2 3.779 5.459 -23.812 1.00 6.24 H new ATOM 39 N SER A 3 5.746 2.035 -21.704 1.00 1.74 N ATOM 40 CA SER A 3 5.311 1.536 -20.408 1.00 1.54 C ATOM 41 C SER A 3 4.548 2.684 -19.751 1.00 1.12 C ATOM 42 O SER A 3 4.714 3.833 -20.170 1.00 1.31 O ATOM 43 CB SER A 3 6.535 1.135 -19.570 1.00 1.81 C ATOM 44 OG SER A 3 6.195 0.165 -18.598 1.00 3.36 O ATOM 0 H SER A 3 6.075 2.999 -21.661 1.00 1.74 H new ATOM 0 HA SER A 3 4.679 0.652 -20.498 1.00 1.54 H new ATOM 0 HB2 SER A 3 7.313 0.741 -20.224 1.00 1.81 H new ATOM 0 HB3 SER A 3 6.947 2.016 -19.079 1.00 1.81 H new ATOM 0 HG SER A 3 6.992 -0.073 -18.081 1.00 3.36 H new ATOM 50 N GLU A 4 3.760 2.395 -18.716 1.00 0.76 N ATOM 51 CA GLU A 4 2.964 3.380 -18.016 1.00 0.50 C ATOM 52 C GLU A 4 2.624 2.816 -16.642 1.00 0.42 C ATOM 53 O GLU A 4 2.571 1.600 -16.456 1.00 0.60 O ATOM 54 CB GLU A 4 1.705 3.765 -18.815 1.00 0.81 C ATOM 55 CG GLU A 4 0.896 2.573 -19.353 1.00 1.34 C ATOM 56 CD GLU A 4 1.427 2.061 -20.688 1.00 2.26 C ATOM 57 OE1 GLU A 4 1.232 2.786 -21.687 1.00 2.99 O ATOM 58 OE2 GLU A 4 2.014 0.959 -20.689 1.00 3.42 O ATOM 0 H GLU A 4 3.661 1.452 -18.341 1.00 0.76 H new ATOM 0 HA GLU A 4 3.530 4.304 -17.900 1.00 0.50 H new ATOM 0 HB2 GLU A 4 1.058 4.368 -18.179 1.00 0.81 H new ATOM 0 HB3 GLU A 4 2.002 4.394 -19.655 1.00 0.81 H new ATOM 0 HG2 GLU A 4 0.918 1.764 -18.623 1.00 1.34 H new ATOM 0 HG3 GLU A 4 -0.147 2.869 -19.470 1.00 1.34 H new ATOM 65 N GLN A 5 2.422 3.718 -15.687 1.00 0.30 N ATOM 66 CA GLN A 5 2.118 3.375 -14.311 1.00 0.24 C ATOM 67 C GLN A 5 0.616 3.215 -14.099 1.00 0.27 C ATOM 68 O GLN A 5 -0.176 3.495 -14.998 1.00 0.40 O ATOM 69 CB GLN A 5 2.736 4.419 -13.378 1.00 0.23 C ATOM 70 CG GLN A 5 2.214 5.853 -13.569 1.00 0.23 C ATOM 71 CD GLN A 5 2.828 6.832 -12.570 1.00 0.43 C ATOM 72 OE1 GLN A 5 2.546 8.024 -12.615 1.00 0.94 O ATOM 73 NE2 GLN A 5 3.651 6.340 -11.648 1.00 0.39 N ATOM 0 H GLN A 5 2.467 4.723 -15.855 1.00 0.30 H new ATOM 0 HA GLN A 5 2.560 2.407 -14.073 1.00 0.24 H new ATOM 0 HB2 GLN A 5 2.553 4.116 -12.347 1.00 0.23 H new ATOM 0 HB3 GLN A 5 3.816 4.420 -13.523 1.00 0.23 H new ATOM 0 HG2 GLN A 5 2.435 6.186 -14.583 1.00 0.23 H new ATOM 0 HG3 GLN A 5 1.129 5.860 -13.461 1.00 0.23 H new ATOM 0 HE21 GLN A 5 3.866 5.343 -11.636 1.00 0.39 H new ATOM 0 HE22 GLN A 5 4.067 6.960 -10.953 1.00 0.39 H new ATOM 82 N LYS A 6 0.213 2.792 -12.897 1.00 0.22 N ATOM 83 CA LYS A 6 -1.187 2.760 -12.527 1.00 0.24 C ATOM 84 C LYS A 6 -1.340 3.061 -11.045 1.00 0.25 C ATOM 85 O LYS A 6 -0.395 2.908 -10.269 1.00 0.33 O ATOM 86 CB LYS A 6 -1.806 1.386 -12.842 1.00 0.36 C ATOM 87 CG LYS A 6 -3.031 1.502 -13.758 1.00 0.71 C ATOM 88 CD LYS A 6 -4.058 0.415 -13.403 1.00 1.41 C ATOM 89 CE LYS A 6 -5.009 0.118 -14.569 1.00 2.00 C ATOM 90 NZ LYS A 6 -4.375 -0.753 -15.582 1.00 3.60 N ATOM 0 H LYS A 6 0.847 2.468 -12.167 1.00 0.22 H new ATOM 0 HA LYS A 6 -1.711 3.519 -13.108 1.00 0.24 H new ATOM 0 HB2 LYS A 6 -1.057 0.752 -13.317 1.00 0.36 H new ATOM 0 HB3 LYS A 6 -2.094 0.897 -11.912 1.00 0.36 H new ATOM 0 HG2 LYS A 6 -3.482 2.489 -13.652 1.00 0.71 H new ATOM 0 HG3 LYS A 6 -2.727 1.400 -14.800 1.00 0.71 H new ATOM 0 HD2 LYS A 6 -3.535 -0.499 -13.120 1.00 1.41 H new ATOM 0 HD3 LYS A 6 -4.637 0.733 -12.536 1.00 1.41 H new ATOM 0 HE2 LYS A 6 -5.911 -0.362 -14.190 1.00 2.00 H new ATOM 0 HE3 LYS A 6 -5.317 1.054 -15.035 1.00 2.00 H new ATOM 0 HZ1 LYS A 6 -5.047 -0.932 -16.355 1.00 3.60 H new ATOM 0 HZ2 LYS A 6 -3.528 -0.284 -15.962 1.00 3.60 H new ATOM 0 HZ3 LYS A 6 -4.104 -1.656 -15.143 1.00 3.60 H new ATOM 104 N GLU A 7 -2.565 3.435 -10.678 1.00 0.26 N ATOM 105 CA GLU A 7 -3.042 3.399 -9.314 1.00 0.28 C ATOM 106 C GLU A 7 -3.569 1.989 -9.036 1.00 0.33 C ATOM 107 O GLU A 7 -4.217 1.384 -9.893 1.00 0.57 O ATOM 108 CB GLU A 7 -4.078 4.510 -9.091 1.00 0.39 C ATOM 109 CG GLU A 7 -5.336 4.412 -9.973 1.00 0.61 C ATOM 110 CD GLU A 7 -6.581 4.091 -9.151 1.00 1.94 C ATOM 111 OE1 GLU A 7 -6.466 3.226 -8.255 1.00 3.39 O ATOM 112 OE2 GLU A 7 -7.619 4.725 -9.432 1.00 2.38 O ATOM 0 H GLU A 7 -3.261 3.777 -11.341 1.00 0.26 H new ATOM 0 HA GLU A 7 -2.244 3.599 -8.599 1.00 0.28 H new ATOM 0 HB2 GLU A 7 -4.384 4.496 -8.045 1.00 0.39 H new ATOM 0 HB3 GLU A 7 -3.600 5.473 -9.271 1.00 0.39 H new ATOM 0 HG2 GLU A 7 -5.483 5.353 -10.503 1.00 0.61 H new ATOM 0 HG3 GLU A 7 -5.191 3.640 -10.729 1.00 0.61 H new ATOM 119 N ILE A 8 -3.229 1.445 -7.869 1.00 0.27 N ATOM 120 CA ILE A 8 -3.900 0.305 -7.276 1.00 0.29 C ATOM 121 C ILE A 8 -4.706 0.854 -6.100 1.00 0.26 C ATOM 122 O ILE A 8 -4.296 1.858 -5.510 1.00 0.30 O ATOM 123 CB ILE A 8 -2.844 -0.731 -6.833 1.00 0.42 C ATOM 124 CG1 ILE A 8 -3.368 -2.172 -6.858 1.00 0.66 C ATOM 125 CG2 ILE A 8 -2.268 -0.416 -5.453 1.00 0.67 C ATOM 126 CD1 ILE A 8 -3.261 -2.720 -8.282 1.00 1.17 C ATOM 0 H ILE A 8 -2.459 1.798 -7.301 1.00 0.27 H new ATOM 0 HA ILE A 8 -4.566 -0.205 -7.972 1.00 0.29 H new ATOM 0 HB ILE A 8 -2.046 -0.654 -7.571 1.00 0.42 H new ATOM 0 HG12 ILE A 8 -2.792 -2.793 -6.172 1.00 0.66 H new ATOM 0 HG13 ILE A 8 -4.404 -2.201 -6.521 1.00 0.66 H new ATOM 0 HG21 ILE A 8 -1.530 -1.172 -5.185 1.00 0.67 H new ATOM 0 HG22 ILE A 8 -1.792 0.564 -5.473 1.00 0.67 H new ATOM 0 HG23 ILE A 8 -3.070 -0.415 -4.715 1.00 0.67 H new ATOM 0 HD11 ILE A 8 -3.632 -3.745 -8.306 1.00 1.17 H new ATOM 0 HD12 ILE A 8 -3.856 -2.103 -8.955 1.00 1.17 H new ATOM 0 HD13 ILE A 8 -2.219 -2.704 -8.601 1.00 1.17 H new ATOM 138 N ALA A 9 -5.789 0.170 -5.725 1.00 0.27 N ATOM 139 CA ALA A 9 -6.591 0.472 -4.547 1.00 0.28 C ATOM 140 C ALA A 9 -7.090 -0.842 -3.953 1.00 0.28 C ATOM 141 O ALA A 9 -7.616 -1.667 -4.700 1.00 0.33 O ATOM 142 CB ALA A 9 -7.755 1.389 -4.928 1.00 0.36 C ATOM 0 H ALA A 9 -6.139 -0.631 -6.250 1.00 0.27 H new ATOM 0 HA ALA A 9 -5.992 0.995 -3.802 1.00 0.28 H new ATOM 0 HB1 ALA A 9 -8.349 1.610 -4.041 1.00 0.36 H new ATOM 0 HB2 ALA A 9 -7.365 2.318 -5.344 1.00 0.36 H new ATOM 0 HB3 ALA A 9 -8.381 0.893 -5.670 1.00 0.36 H new ATOM 148 N MET A 10 -6.891 -1.070 -2.649 1.00 0.26 N ATOM 149 CA MET A 10 -7.296 -2.312 -1.997 1.00 0.31 C ATOM 150 C MET A 10 -7.493 -2.129 -0.490 1.00 0.32 C ATOM 151 O MET A 10 -7.158 -1.070 0.045 1.00 0.33 O ATOM 152 CB MET A 10 -6.269 -3.396 -2.303 1.00 0.36 C ATOM 153 CG MET A 10 -4.877 -3.008 -1.797 1.00 0.40 C ATOM 154 SD MET A 10 -3.762 -2.287 -3.010 1.00 1.37 S ATOM 155 CE MET A 10 -2.742 -1.274 -1.920 1.00 1.32 C ATOM 0 H MET A 10 -6.446 -0.399 -2.022 1.00 0.26 H new ATOM 0 HA MET A 10 -8.264 -2.617 -2.394 1.00 0.31 H new ATOM 0 HB2 MET A 10 -6.578 -4.333 -1.839 1.00 0.36 H new ATOM 0 HB3 MET A 10 -6.231 -3.570 -3.378 1.00 0.36 H new ATOM 0 HG2 MET A 10 -4.996 -2.299 -0.977 1.00 0.40 H new ATOM 0 HG3 MET A 10 -4.403 -3.898 -1.383 1.00 0.40 H new ATOM 0 HE1 MET A 10 -1.701 -1.331 -2.238 1.00 1.32 H new ATOM 0 HE2 MET A 10 -3.079 -0.238 -1.965 1.00 1.32 H new ATOM 0 HE3 MET A 10 -2.829 -1.639 -0.897 1.00 1.32 H new ATOM 165 N GLN A 11 -8.017 -3.158 0.193 1.00 0.34 N ATOM 166 CA GLN A 11 -8.314 -3.061 1.618 1.00 0.32 C ATOM 167 C GLN A 11 -7.098 -3.512 2.417 1.00 0.34 C ATOM 168 O GLN A 11 -6.258 -4.262 1.907 1.00 0.48 O ATOM 169 CB GLN A 11 -9.596 -3.797 2.061 1.00 0.33 C ATOM 170 CG GLN A 11 -10.629 -4.116 0.973 1.00 0.48 C ATOM 171 CD GLN A 11 -10.316 -5.452 0.310 1.00 1.08 C ATOM 172 OE1 GLN A 11 -10.536 -6.509 0.890 1.00 2.28 O ATOM 173 NE2 GLN A 11 -9.759 -5.420 -0.893 1.00 0.74 N ATOM 0 H GLN A 11 -8.241 -4.062 -0.223 1.00 0.34 H new ATOM 0 HA GLN A 11 -8.528 -2.012 1.824 1.00 0.32 H new ATOM 0 HB2 GLN A 11 -9.302 -4.734 2.534 1.00 0.33 H new ATOM 0 HB3 GLN A 11 -10.085 -3.194 2.826 1.00 0.33 H new ATOM 0 HG2 GLN A 11 -11.627 -4.146 1.410 1.00 0.48 H new ATOM 0 HG3 GLN A 11 -10.632 -3.324 0.224 1.00 0.48 H new ATOM 0 HE21 GLN A 11 -9.588 -4.525 -1.352 1.00 0.74 H new ATOM 0 HE22 GLN A 11 -9.502 -6.290 -1.359 1.00 0.74 H new ATOM 182 N VAL A 12 -7.018 -3.061 3.670 1.00 0.36 N ATOM 183 CA VAL A 12 -5.946 -3.442 4.574 1.00 0.38 C ATOM 184 C VAL A 12 -6.518 -4.062 5.840 1.00 0.39 C ATOM 185 O VAL A 12 -7.418 -3.504 6.463 1.00 0.71 O ATOM 186 CB VAL A 12 -5.046 -2.250 4.918 1.00 0.46 C ATOM 187 CG1 VAL A 12 -3.678 -2.782 5.348 1.00 0.49 C ATOM 188 CG2 VAL A 12 -4.833 -1.302 3.739 1.00 0.46 C ATOM 0 H VAL A 12 -7.698 -2.421 4.081 1.00 0.36 H new ATOM 0 HA VAL A 12 -5.329 -4.183 4.065 1.00 0.38 H new ATOM 0 HB VAL A 12 -5.541 -1.690 5.711 1.00 0.46 H new ATOM 0 HG11 VAL A 12 -3.024 -1.946 5.597 1.00 0.49 H new ATOM 0 HG12 VAL A 12 -3.795 -3.423 6.222 1.00 0.49 H new ATOM 0 HG13 VAL A 12 -3.238 -3.356 4.533 1.00 0.49 H new ATOM 0 HG21 VAL A 12 -4.188 -0.479 4.046 1.00 0.46 H new ATOM 0 HG22 VAL A 12 -4.365 -1.843 2.917 1.00 0.46 H new ATOM 0 HG23 VAL A 12 -5.795 -0.906 3.412 1.00 0.46 H new ATOM 198 N SER A 13 -5.959 -5.204 6.229 1.00 0.55 N ATOM 199 CA SER A 13 -6.244 -5.871 7.477 1.00 0.58 C ATOM 200 C SER A 13 -5.294 -5.312 8.537 1.00 0.61 C ATOM 201 O SER A 13 -4.075 -5.412 8.396 1.00 0.72 O ATOM 202 CB SER A 13 -6.091 -7.378 7.251 1.00 0.73 C ATOM 203 OG SER A 13 -6.717 -8.129 8.274 1.00 0.90 O ATOM 0 H SER A 13 -5.274 -5.700 5.659 1.00 0.55 H new ATOM 0 HA SER A 13 -7.261 -5.698 7.830 1.00 0.58 H new ATOM 0 HB2 SER A 13 -6.523 -7.647 6.287 1.00 0.73 H new ATOM 0 HB3 SER A 13 -5.032 -7.634 7.208 1.00 0.73 H new ATOM 0 HG SER A 13 -6.600 -9.086 8.096 1.00 0.90 H new ATOM 209 N GLY A 14 -5.865 -4.700 9.577 1.00 0.69 N ATOM 210 CA GLY A 14 -5.158 -4.183 10.739 1.00 0.84 C ATOM 211 C GLY A 14 -5.842 -2.919 11.251 1.00 1.32 C ATOM 212 O GLY A 14 -6.653 -3.004 12.167 1.00 2.74 O ATOM 0 H GLY A 14 -6.872 -4.548 9.630 1.00 0.69 H new ATOM 0 HA2 GLY A 14 -5.135 -4.937 11.526 1.00 0.84 H new ATOM 0 HA3 GLY A 14 -4.123 -3.965 10.477 1.00 0.84 H new ATOM 216 N MET A 15 -5.532 -1.757 10.656 1.00 0.73 N ATOM 217 CA MET A 15 -6.189 -0.490 10.930 1.00 1.16 C ATOM 218 C MET A 15 -6.234 -0.215 12.434 1.00 0.95 C ATOM 219 O MET A 15 -7.278 0.001 13.039 1.00 1.26 O ATOM 220 CB MET A 15 -7.542 -0.460 10.212 1.00 2.04 C ATOM 221 CG MET A 15 -7.900 0.888 9.569 1.00 1.58 C ATOM 222 SD MET A 15 -8.951 2.062 10.452 1.00 4.36 S ATOM 223 CE MET A 15 -7.728 2.883 11.476 1.00 5.56 C ATOM 0 H MET A 15 -4.796 -1.681 9.954 1.00 0.73 H new ATOM 0 HA MET A 15 -5.617 0.345 10.525 1.00 1.16 H new ATOM 0 HB2 MET A 15 -7.544 -1.228 9.438 1.00 2.04 H new ATOM 0 HB3 MET A 15 -8.322 -0.725 10.926 1.00 2.04 H new ATOM 0 HG2 MET A 15 -6.963 1.398 9.344 1.00 1.58 H new ATOM 0 HG3 MET A 15 -8.384 0.674 8.616 1.00 1.58 H new ATOM 0 HE1 MET A 15 -8.112 3.852 11.795 1.00 5.56 H new ATOM 0 HE2 MET A 15 -7.517 2.270 12.352 1.00 5.56 H new ATOM 0 HE3 MET A 15 -6.811 3.026 10.904 1.00 5.56 H new ATOM 233 N THR A 16 -5.043 -0.183 13.024 1.00 1.72 N ATOM 234 CA THR A 16 -4.831 0.145 14.419 1.00 2.50 C ATOM 235 C THR A 16 -5.098 1.634 14.697 1.00 1.98 C ATOM 236 O THR A 16 -5.271 2.018 15.850 1.00 2.31 O ATOM 237 CB THR A 16 -3.390 -0.260 14.746 1.00 3.66 C ATOM 238 OG1 THR A 16 -3.048 -1.421 14.007 1.00 4.53 O ATOM 239 CG2 THR A 16 -3.177 -0.530 16.232 1.00 4.29 C ATOM 0 H THR A 16 -4.178 -0.391 12.526 1.00 1.72 H new ATOM 0 HA THR A 16 -5.530 -0.393 15.060 1.00 2.50 H new ATOM 0 HB THR A 16 -2.749 0.578 14.471 1.00 3.66 H new ATOM 0 HG1 THR A 16 -2.126 -1.680 14.214 1.00 4.53 H new ATOM 0 HG21 THR A 16 -2.139 -0.813 16.405 1.00 4.29 H new ATOM 0 HG22 THR A 16 -3.408 0.370 16.802 1.00 4.29 H new ATOM 0 HG23 THR A 16 -3.832 -1.340 16.552 1.00 4.29 H new ATOM 247 N CYS A 17 -5.147 2.464 13.641 1.00 1.55 N ATOM 248 CA CYS A 17 -5.426 3.900 13.705 1.00 1.79 C ATOM 249 C CYS A 17 -4.204 4.651 14.261 1.00 1.95 C ATOM 250 O CYS A 17 -3.174 4.027 14.495 1.00 2.72 O ATOM 251 CB CYS A 17 -6.760 4.141 14.439 1.00 2.39 C ATOM 252 SG CYS A 17 -7.437 5.780 14.082 1.00 3.53 S ATOM 0 H CYS A 17 -4.987 2.137 12.688 1.00 1.55 H new ATOM 0 HA CYS A 17 -5.576 4.321 12.711 1.00 1.79 H new ATOM 0 HB2 CYS A 17 -7.480 3.378 14.144 1.00 2.39 H new ATOM 0 HB3 CYS A 17 -6.608 4.037 15.513 1.00 2.39 H new ATOM 0 HG CYS A 17 -6.942 6.645 14.916 1.00 3.53 H new ATOM 258 N ALA A 18 -4.242 5.985 14.378 1.00 1.67 N ATOM 259 CA ALA A 18 -3.102 6.806 14.775 1.00 1.95 C ATOM 260 C ALA A 18 -1.936 6.648 13.788 1.00 1.98 C ATOM 261 O ALA A 18 -0.834 6.254 14.157 1.00 3.13 O ATOM 262 CB ALA A 18 -2.707 6.533 16.233 1.00 2.19 C ATOM 0 H ALA A 18 -5.085 6.529 14.195 1.00 1.67 H new ATOM 0 HA ALA A 18 -3.395 7.855 14.731 1.00 1.95 H new ATOM 0 HB1 ALA A 18 -1.855 7.158 16.502 1.00 2.19 H new ATOM 0 HB2 ALA A 18 -3.548 6.764 16.887 1.00 2.19 H new ATOM 0 HB3 ALA A 18 -2.437 5.483 16.346 1.00 2.19 H new ATOM 268 N ALA A 19 -2.199 6.979 12.516 1.00 1.09 N ATOM 269 CA ALA A 19 -1.221 7.006 11.425 1.00 0.93 C ATOM 270 C ALA A 19 -0.665 5.620 11.070 1.00 0.76 C ATOM 271 O ALA A 19 0.323 5.507 10.348 1.00 0.71 O ATOM 272 CB ALA A 19 -0.096 8.004 11.736 1.00 1.12 C ATOM 0 H ALA A 19 -3.135 7.245 12.210 1.00 1.09 H new ATOM 0 HA ALA A 19 -1.752 7.344 10.535 1.00 0.93 H new ATOM 0 HB1 ALA A 19 0.621 8.011 10.915 1.00 1.12 H new ATOM 0 HB2 ALA A 19 -0.518 9.002 11.858 1.00 1.12 H new ATOM 0 HB3 ALA A 19 0.408 7.709 12.656 1.00 1.12 H new ATOM 278 N CYS A 20 -1.314 4.551 11.526 1.00 0.80 N ATOM 279 CA CYS A 20 -0.801 3.191 11.373 1.00 0.78 C ATOM 280 C CYS A 20 -0.920 2.791 9.919 1.00 0.63 C ATOM 281 O CYS A 20 0.070 2.523 9.241 1.00 0.60 O ATOM 282 CB CYS A 20 -1.554 2.222 12.291 1.00 0.97 C ATOM 283 SG CYS A 20 -0.661 2.142 13.867 1.00 1.43 S ATOM 0 H CYS A 20 -2.210 4.603 12.012 1.00 0.80 H new ATOM 0 HA CYS A 20 0.248 3.152 11.666 1.00 0.78 H new ATOM 0 HB2 CYS A 20 -2.577 2.563 12.449 1.00 0.97 H new ATOM 0 HB3 CYS A 20 -1.614 1.233 11.836 1.00 0.97 H new ATOM 0 HG CYS A 20 -1.298 2.837 14.762 1.00 1.43 H new ATOM 289 N ALA A 21 -2.159 2.824 9.431 1.00 0.68 N ATOM 290 CA ALA A 21 -2.468 2.548 8.042 1.00 0.72 C ATOM 291 C ALA A 21 -1.698 3.473 7.096 1.00 0.60 C ATOM 292 O ALA A 21 -1.385 3.108 5.968 1.00 0.80 O ATOM 293 CB ALA A 21 -3.970 2.672 7.833 1.00 0.99 C ATOM 0 H ALA A 21 -2.978 3.045 9.998 1.00 0.68 H new ATOM 0 HA ALA A 21 -2.154 1.531 7.806 1.00 0.72 H new ATOM 0 HB1 ALA A 21 -4.210 2.466 6.790 1.00 0.99 H new ATOM 0 HB2 ALA A 21 -4.487 1.957 8.473 1.00 0.99 H new ATOM 0 HB3 ALA A 21 -4.290 3.683 8.086 1.00 0.99 H new ATOM 299 N ALA A 22 -1.376 4.680 7.559 1.00 0.49 N ATOM 300 CA ALA A 22 -0.526 5.578 6.808 1.00 0.39 C ATOM 301 C ALA A 22 0.903 5.034 6.737 1.00 0.41 C ATOM 302 O ALA A 22 1.473 5.021 5.650 1.00 0.50 O ATOM 303 CB ALA A 22 -0.586 6.970 7.434 1.00 0.31 C ATOM 0 H ALA A 22 -1.696 5.051 8.453 1.00 0.49 H new ATOM 0 HA ALA A 22 -0.883 5.653 5.781 1.00 0.39 H new ATOM 0 HB1 ALA A 22 0.053 7.650 6.871 1.00 0.31 H new ATOM 0 HB2 ALA A 22 -1.613 7.335 7.412 1.00 0.31 H new ATOM 0 HB3 ALA A 22 -0.241 6.920 8.467 1.00 0.31 H new ATOM 309 N ARG A 23 1.492 4.582 7.857 1.00 0.40 N ATOM 310 CA ARG A 23 2.823 3.973 7.825 1.00 0.48 C ATOM 311 C ARG A 23 2.895 2.840 6.801 1.00 0.48 C ATOM 312 O ARG A 23 3.875 2.769 6.060 1.00 0.54 O ATOM 313 CB ARG A 23 3.295 3.452 9.190 1.00 0.68 C ATOM 314 CG ARG A 23 3.549 4.563 10.215 1.00 0.83 C ATOM 315 CD ARG A 23 4.499 4.068 11.315 1.00 1.72 C ATOM 316 NE ARG A 23 5.905 4.117 10.873 1.00 2.97 N ATOM 317 CZ ARG A 23 6.938 3.491 11.465 1.00 4.20 C ATOM 318 NH1 ARG A 23 6.722 2.620 12.456 1.00 4.61 N ATOM 319 NH2 ARG A 23 8.190 3.748 11.064 1.00 5.60 N ATOM 0 H ARG A 23 1.069 4.628 8.784 1.00 0.40 H new ATOM 0 HA ARG A 23 3.496 4.779 7.532 1.00 0.48 H new ATOM 0 HB2 ARG A 23 2.546 2.767 9.587 1.00 0.68 H new ATOM 0 HB3 ARG A 23 4.212 2.878 9.054 1.00 0.68 H new ATOM 0 HG2 ARG A 23 3.979 5.433 9.719 1.00 0.83 H new ATOM 0 HG3 ARG A 23 2.605 4.882 10.657 1.00 0.83 H new ATOM 0 HD2 ARG A 23 4.375 4.681 12.208 1.00 1.72 H new ATOM 0 HD3 ARG A 23 4.238 3.046 11.591 1.00 1.72 H new ATOM 0 HE ARG A 23 6.113 4.675 10.045 1.00 2.97 H new ATOM 0 HH11 ARG A 23 5.770 2.427 12.767 1.00 4.61 H new ATOM 0 HH12 ARG A 23 7.509 2.148 12.901 1.00 4.61 H new ATOM 0 HH21 ARG A 23 8.358 4.417 10.312 1.00 5.60 H new ATOM 0 HH22 ARG A 23 8.976 3.275 11.511 1.00 5.60 H new ATOM 333 N ILE A 24 1.873 1.972 6.770 1.00 0.46 N ATOM 334 CA ILE A 24 1.789 0.855 5.825 1.00 0.55 C ATOM 335 C ILE A 24 2.174 1.349 4.428 1.00 0.49 C ATOM 336 O ILE A 24 3.173 0.916 3.849 1.00 0.53 O ATOM 337 CB ILE A 24 0.360 0.259 5.822 1.00 0.60 C ATOM 338 CG1 ILE A 24 -0.015 -0.285 7.204 1.00 0.66 C ATOM 339 CG2 ILE A 24 0.158 -0.855 4.788 1.00 0.83 C ATOM 340 CD1 ILE A 24 -1.439 -0.846 7.253 1.00 0.80 C ATOM 0 H ILE A 24 1.077 2.028 7.406 1.00 0.46 H new ATOM 0 HA ILE A 24 2.480 0.068 6.128 1.00 0.55 H new ATOM 0 HB ILE A 24 -0.291 1.089 5.548 1.00 0.60 H new ATOM 0 HG12 ILE A 24 0.689 -1.068 7.485 1.00 0.66 H new ATOM 0 HG13 ILE A 24 0.083 0.511 7.942 1.00 0.66 H new ATOM 0 HG21 ILE A 24 -0.866 -1.223 4.845 1.00 0.83 H new ATOM 0 HG22 ILE A 24 0.347 -0.463 3.789 1.00 0.83 H new ATOM 0 HG23 ILE A 24 0.849 -1.672 4.994 1.00 0.83 H new ATOM 0 HD11 ILE A 24 -1.650 -1.217 8.256 1.00 0.80 H new ATOM 0 HD12 ILE A 24 -2.149 -0.058 7.001 1.00 0.80 H new ATOM 0 HD13 ILE A 24 -1.533 -1.662 6.537 1.00 0.80 H new ATOM 352 N GLU A 25 1.391 2.294 3.911 1.00 0.39 N ATOM 353 CA GLU A 25 1.582 2.777 2.558 1.00 0.33 C ATOM 354 C GLU A 25 2.820 3.660 2.431 1.00 0.29 C ATOM 355 O GLU A 25 3.512 3.623 1.418 1.00 0.36 O ATOM 356 CB GLU A 25 0.326 3.498 2.064 1.00 0.32 C ATOM 357 CG GLU A 25 -0.045 2.968 0.666 1.00 0.34 C ATOM 358 CD GLU A 25 -0.561 1.526 0.652 1.00 1.18 C ATOM 359 OE1 GLU A 25 -0.591 0.907 1.737 1.00 2.25 O ATOM 360 OE2 GLU A 25 -0.917 1.069 -0.454 1.00 2.40 O ATOM 0 H GLU A 25 0.621 2.736 4.413 1.00 0.39 H new ATOM 0 HA GLU A 25 1.753 1.910 1.920 1.00 0.33 H new ATOM 0 HB2 GLU A 25 -0.498 3.335 2.758 1.00 0.32 H new ATOM 0 HB3 GLU A 25 0.501 4.573 2.024 1.00 0.32 H new ATOM 0 HG2 GLU A 25 -0.807 3.618 0.235 1.00 0.34 H new ATOM 0 HG3 GLU A 25 0.832 3.034 0.022 1.00 0.34 H new ATOM 367 N LYS A 26 3.103 4.492 3.434 1.00 0.27 N ATOM 368 CA LYS A 26 4.275 5.347 3.429 1.00 0.29 C ATOM 369 C LYS A 26 5.552 4.514 3.282 1.00 0.29 C ATOM 370 O LYS A 26 6.491 4.948 2.618 1.00 0.33 O ATOM 371 CB LYS A 26 4.279 6.209 4.695 1.00 0.36 C ATOM 372 CG LYS A 26 3.458 7.497 4.523 1.00 0.40 C ATOM 373 CD LYS A 26 4.326 8.558 3.822 1.00 0.48 C ATOM 374 CE LYS A 26 3.611 9.894 3.571 1.00 0.56 C ATOM 375 NZ LYS A 26 3.269 10.607 4.819 1.00 1.52 N ATOM 0 H LYS A 26 2.523 4.587 4.268 1.00 0.27 H new ATOM 0 HA LYS A 26 4.242 6.015 2.569 1.00 0.29 H new ATOM 0 HB2 LYS A 26 3.876 5.632 5.527 1.00 0.36 H new ATOM 0 HB3 LYS A 26 5.306 6.467 4.954 1.00 0.36 H new ATOM 0 HG2 LYS A 26 2.562 7.296 3.936 1.00 0.40 H new ATOM 0 HG3 LYS A 26 3.127 7.864 5.494 1.00 0.40 H new ATOM 0 HD2 LYS A 26 5.213 8.742 4.427 1.00 0.48 H new ATOM 0 HD3 LYS A 26 4.669 8.158 2.868 1.00 0.48 H new ATOM 0 HE2 LYS A 26 4.248 10.531 2.957 1.00 0.56 H new ATOM 0 HE3 LYS A 26 2.700 9.711 3.002 1.00 0.56 H new ATOM 0 HZ1 LYS A 26 2.789 11.500 4.588 1.00 1.52 H new ATOM 0 HZ2 LYS A 26 2.638 10.014 5.396 1.00 1.52 H new ATOM 0 HZ3 LYS A 26 4.138 10.809 5.353 1.00 1.52 H new ATOM 389 N GLY A 27 5.576 3.310 3.860 1.00 0.30 N ATOM 390 CA GLY A 27 6.612 2.336 3.565 1.00 0.34 C ATOM 391 C GLY A 27 6.680 2.054 2.063 1.00 0.36 C ATOM 392 O GLY A 27 7.753 2.127 1.467 1.00 0.40 O ATOM 0 H GLY A 27 4.883 2.992 4.537 1.00 0.30 H new ATOM 0 HA2 GLY A 27 7.576 2.706 3.914 1.00 0.34 H new ATOM 0 HA3 GLY A 27 6.412 1.410 4.105 1.00 0.34 H new ATOM 396 N LEU A 28 5.545 1.764 1.421 1.00 0.34 N ATOM 397 CA LEU A 28 5.542 1.513 -0.012 1.00 0.34 C ATOM 398 C LEU A 28 5.948 2.740 -0.814 1.00 0.32 C ATOM 399 O LEU A 28 6.597 2.589 -1.840 1.00 0.31 O ATOM 400 CB LEU A 28 4.185 1.021 -0.486 1.00 0.35 C ATOM 401 CG LEU A 28 3.783 -0.297 0.186 1.00 0.36 C ATOM 402 CD1 LEU A 28 2.374 -0.604 -0.317 1.00 0.41 C ATOM 403 CD2 LEU A 28 4.794 -1.438 -0.057 1.00 0.31 C ATOM 0 H LEU A 28 4.631 1.699 1.869 1.00 0.34 H new ATOM 0 HA LEU A 28 6.284 0.734 -0.185 1.00 0.34 H new ATOM 0 HB2 LEU A 28 3.431 1.780 -0.276 1.00 0.35 H new ATOM 0 HB3 LEU A 28 4.207 0.884 -1.567 1.00 0.35 H new ATOM 0 HG LEU A 28 3.789 -0.203 1.272 1.00 0.36 H new ATOM 0 HD11 LEU A 28 2.025 -1.537 0.126 1.00 0.41 H new ATOM 0 HD12 LEU A 28 1.702 0.206 -0.034 1.00 0.41 H new ATOM 0 HD13 LEU A 28 2.388 -0.701 -1.403 1.00 0.41 H new ATOM 0 HD21 LEU A 28 4.450 -2.342 0.445 1.00 0.31 H new ATOM 0 HD22 LEU A 28 4.879 -1.627 -1.127 1.00 0.31 H new ATOM 0 HD23 LEU A 28 5.768 -1.151 0.339 1.00 0.31 H new ATOM 415 N LYS A 29 5.628 3.952 -0.355 1.00 0.34 N ATOM 416 CA LYS A 29 6.135 5.176 -0.964 1.00 0.35 C ATOM 417 C LYS A 29 7.675 5.222 -0.977 1.00 0.37 C ATOM 418 O LYS A 29 8.247 6.030 -1.707 1.00 0.43 O ATOM 419 CB LYS A 29 5.433 6.413 -0.384 1.00 0.40 C ATOM 420 CG LYS A 29 6.073 7.735 -0.839 1.00 0.50 C ATOM 421 CD LYS A 29 5.197 8.927 -0.445 1.00 0.92 C ATOM 422 CE LYS A 29 4.059 9.141 -1.450 1.00 0.91 C ATOM 423 NZ LYS A 29 4.451 10.032 -2.572 1.00 1.51 N ATOM 0 H LYS A 29 5.014 4.109 0.444 1.00 0.34 H new ATOM 0 HA LYS A 29 5.873 5.182 -2.022 1.00 0.35 H new ATOM 0 HB2 LYS A 29 4.384 6.402 -0.682 1.00 0.40 H new ATOM 0 HB3 LYS A 29 5.456 6.360 0.704 1.00 0.40 H new ATOM 0 HG2 LYS A 29 7.061 7.840 -0.390 1.00 0.50 H new ATOM 0 HG3 LYS A 29 6.214 7.723 -1.920 1.00 0.50 H new ATOM 0 HD2 LYS A 29 4.781 8.762 0.549 1.00 0.92 H new ATOM 0 HD3 LYS A 29 5.809 9.827 -0.389 1.00 0.92 H new ATOM 0 HE2 LYS A 29 3.745 8.177 -1.849 1.00 0.91 H new ATOM 0 HE3 LYS A 29 3.199 9.568 -0.934 1.00 0.91 H new ATOM 0 HZ1 LYS A 29 3.639 10.621 -2.848 1.00 1.51 H new ATOM 0 HZ2 LYS A 29 5.236 10.644 -2.271 1.00 1.51 H new ATOM 0 HZ3 LYS A 29 4.753 9.456 -3.384 1.00 1.51 H new ATOM 437 N ARG A 30 8.359 4.388 -0.186 1.00 0.36 N ATOM 438 CA ARG A 30 9.812 4.254 -0.226 1.00 0.40 C ATOM 439 C ARG A 30 10.276 3.051 -1.068 1.00 0.33 C ATOM 440 O ARG A 30 11.481 2.851 -1.203 1.00 0.49 O ATOM 441 CB ARG A 30 10.315 4.198 1.225 1.00 0.69 C ATOM 442 CG ARG A 30 10.537 5.631 1.729 1.00 1.28 C ATOM 443 CD ARG A 30 10.096 5.792 3.189 1.00 1.26 C ATOM 444 NE ARG A 30 10.112 7.209 3.586 1.00 2.23 N ATOM 445 CZ ARG A 30 11.212 7.932 3.854 1.00 2.26 C ATOM 446 NH1 ARG A 30 12.408 7.337 3.883 1.00 2.62 N ATOM 447 NH2 ARG A 30 11.109 9.246 4.083 1.00 3.23 N ATOM 0 H ARG A 30 7.912 3.784 0.504 1.00 0.36 H new ATOM 0 HA ARG A 30 10.248 5.116 -0.731 1.00 0.40 H new ATOM 0 HB2 ARG A 30 9.590 3.684 1.856 1.00 0.69 H new ATOM 0 HB3 ARG A 30 11.244 3.631 1.280 1.00 0.69 H new ATOM 0 HG2 ARG A 30 11.592 5.890 1.636 1.00 1.28 H new ATOM 0 HG3 ARG A 30 9.981 6.328 1.102 1.00 1.28 H new ATOM 0 HD2 ARG A 30 9.093 5.385 3.318 1.00 1.26 H new ATOM 0 HD3 ARG A 30 10.758 5.220 3.839 1.00 1.26 H new ATOM 0 HE ARG A 30 9.212 7.682 3.664 1.00 2.23 H new ATOM 0 HH11 ARG A 30 12.484 6.336 3.702 1.00 2.62 H new ATOM 0 HH12 ARG A 30 13.245 7.884 4.086 1.00 2.62 H new ATOM 0 HH21 ARG A 30 10.195 9.699 4.054 1.00 3.23 H new ATOM 0 HH22 ARG A 30 11.944 9.795 4.287 1.00 3.23 H new ATOM 461 N MET A 31 9.370 2.259 -1.657 1.00 0.27 N ATOM 462 CA MET A 31 9.745 1.170 -2.560 1.00 0.27 C ATOM 463 C MET A 31 10.062 1.714 -3.962 1.00 0.25 C ATOM 464 O MET A 31 9.308 2.533 -4.486 1.00 0.23 O ATOM 465 CB MET A 31 8.614 0.135 -2.643 1.00 0.28 C ATOM 466 CG MET A 31 8.512 -0.677 -1.348 1.00 0.47 C ATOM 467 SD MET A 31 9.635 -2.090 -1.235 1.00 1.20 S ATOM 468 CE MET A 31 8.859 -3.212 -2.419 1.00 2.38 C ATOM 0 H MET A 31 8.364 2.356 -1.520 1.00 0.27 H new ATOM 0 HA MET A 31 10.639 0.688 -2.163 1.00 0.27 H new ATOM 0 HB2 MET A 31 7.668 0.641 -2.834 1.00 0.28 H new ATOM 0 HB3 MET A 31 8.792 -0.536 -3.483 1.00 0.28 H new ATOM 0 HG2 MET A 31 8.704 -0.013 -0.505 1.00 0.47 H new ATOM 0 HG3 MET A 31 7.489 -1.037 -1.244 1.00 0.47 H new ATOM 0 HE1 MET A 31 9.283 -4.210 -2.306 1.00 2.38 H new ATOM 0 HE2 MET A 31 7.785 -3.250 -2.234 1.00 2.38 H new ATOM 0 HE3 MET A 31 9.040 -2.854 -3.432 1.00 2.38 H new ATOM 478 N PRO A 32 11.149 1.259 -4.605 1.00 0.30 N ATOM 479 CA PRO A 32 11.507 1.704 -5.942 1.00 0.26 C ATOM 480 C PRO A 32 10.410 1.294 -6.926 1.00 0.35 C ATOM 481 O PRO A 32 10.157 0.107 -7.073 1.00 0.82 O ATOM 482 CB PRO A 32 12.838 1.010 -6.260 1.00 0.32 C ATOM 483 CG PRO A 32 12.811 -0.248 -5.392 1.00 0.38 C ATOM 484 CD PRO A 32 12.040 0.200 -4.152 1.00 0.40 C ATOM 0 HA PRO A 32 11.608 2.787 -6.015 1.00 0.26 H new ATOM 0 HB2 PRO A 32 12.917 0.764 -7.319 1.00 0.32 H new ATOM 0 HB3 PRO A 32 13.689 1.646 -6.016 1.00 0.32 H new ATOM 0 HG2 PRO A 32 12.314 -1.076 -5.898 1.00 0.38 H new ATOM 0 HG3 PRO A 32 13.817 -0.586 -5.141 1.00 0.38 H new ATOM 0 HD2 PRO A 32 11.477 -0.628 -3.720 1.00 0.40 H new ATOM 0 HD3 PRO A 32 12.718 0.562 -3.379 1.00 0.40 H new ATOM 492 N GLY A 33 9.735 2.258 -7.563 1.00 0.17 N ATOM 493 CA GLY A 33 8.717 2.031 -8.580 1.00 0.19 C ATOM 494 C GLY A 33 7.430 2.760 -8.207 1.00 0.16 C ATOM 495 O GLY A 33 6.560 2.961 -9.051 1.00 0.19 O ATOM 0 H GLY A 33 9.892 3.248 -7.374 1.00 0.17 H new ATOM 0 HA2 GLY A 33 9.075 2.381 -9.548 1.00 0.19 H new ATOM 0 HA3 GLY A 33 8.523 0.963 -8.679 1.00 0.19 H new ATOM 499 N VAL A 34 7.301 3.153 -6.940 1.00 0.23 N ATOM 500 CA VAL A 34 6.185 3.947 -6.462 1.00 0.24 C ATOM 501 C VAL A 34 6.318 5.408 -6.889 1.00 0.24 C ATOM 502 O VAL A 34 7.415 5.893 -7.160 1.00 0.28 O ATOM 503 CB VAL A 34 6.125 3.797 -4.939 1.00 0.25 C ATOM 504 CG1 VAL A 34 7.219 4.661 -4.299 1.00 0.30 C ATOM 505 CG2 VAL A 34 4.730 4.123 -4.389 1.00 0.29 C ATOM 0 H VAL A 34 7.979 2.923 -6.214 1.00 0.23 H new ATOM 0 HA VAL A 34 5.253 3.592 -6.902 1.00 0.24 H new ATOM 0 HB VAL A 34 6.312 2.755 -4.678 1.00 0.25 H new ATOM 0 HG11 VAL A 34 7.178 4.556 -3.215 1.00 0.30 H new ATOM 0 HG12 VAL A 34 8.196 4.337 -4.658 1.00 0.30 H new ATOM 0 HG13 VAL A 34 7.062 5.705 -4.568 1.00 0.30 H new ATOM 0 HG21 VAL A 34 4.729 4.005 -3.305 1.00 0.29 H new ATOM 0 HG22 VAL A 34 4.470 5.151 -4.642 1.00 0.29 H new ATOM 0 HG23 VAL A 34 3.998 3.445 -4.828 1.00 0.29 H new ATOM 515 N THR A 35 5.189 6.117 -6.901 1.00 0.27 N ATOM 516 CA THR A 35 5.126 7.570 -6.984 1.00 0.31 C ATOM 517 C THR A 35 4.404 8.086 -5.739 1.00 0.26 C ATOM 518 O THR A 35 4.989 8.797 -4.913 1.00 0.36 O ATOM 519 CB THR A 35 4.423 8.013 -8.285 1.00 0.39 C ATOM 520 OG1 THR A 35 4.034 6.888 -9.044 1.00 0.42 O ATOM 521 CG2 THR A 35 5.342 8.867 -9.160 1.00 0.44 C ATOM 0 H THR A 35 4.269 5.680 -6.852 1.00 0.27 H new ATOM 0 HA THR A 35 6.130 7.993 -7.016 1.00 0.31 H new ATOM 0 HB THR A 35 3.553 8.599 -7.988 1.00 0.39 H new ATOM 0 HG1 THR A 35 3.130 6.614 -8.783 1.00 0.42 H new ATOM 0 HG21 THR A 35 4.812 9.160 -10.067 1.00 0.44 H new ATOM 0 HG22 THR A 35 5.641 9.759 -8.610 1.00 0.44 H new ATOM 0 HG23 THR A 35 6.228 8.291 -9.427 1.00 0.44 H new ATOM 529 N ASP A 36 3.129 7.709 -5.587 1.00 0.23 N ATOM 530 CA ASP A 36 2.253 8.294 -4.582 1.00 0.29 C ATOM 531 C ASP A 36 1.444 7.252 -3.845 1.00 0.25 C ATOM 532 O ASP A 36 1.192 6.186 -4.381 1.00 0.41 O ATOM 533 CB ASP A 36 1.395 9.420 -5.170 1.00 0.44 C ATOM 534 CG ASP A 36 2.121 10.749 -5.040 1.00 1.56 C ATOM 535 OD1 ASP A 36 2.421 11.099 -3.873 1.00 2.00 O ATOM 536 OD2 ASP A 36 2.433 11.347 -6.087 1.00 3.11 O ATOM 0 H ASP A 36 2.683 6.992 -6.158 1.00 0.23 H new ATOM 0 HA ASP A 36 2.889 8.754 -3.826 1.00 0.29 H new ATOM 0 HB2 ASP A 36 1.180 9.215 -6.219 1.00 0.44 H new ATOM 0 HB3 ASP A 36 0.437 9.467 -4.652 1.00 0.44 H new ATOM 541 N ALA A 37 1.081 7.550 -2.597 1.00 0.30 N ATOM 542 CA ALA A 37 0.308 6.684 -1.728 1.00 0.29 C ATOM 543 C ALA A 37 -0.726 7.549 -1.019 1.00 0.35 C ATOM 544 O ALA A 37 -0.396 8.673 -0.637 1.00 0.61 O ATOM 545 CB ALA A 37 1.249 6.023 -0.724 1.00 0.45 C ATOM 0 H ALA A 37 1.330 8.435 -2.154 1.00 0.30 H new ATOM 0 HA ALA A 37 -0.197 5.898 -2.290 1.00 0.29 H new ATOM 0 HB1 ALA A 37 0.677 5.369 -0.065 1.00 0.45 H new ATOM 0 HB2 ALA A 37 1.997 5.436 -1.258 1.00 0.45 H new ATOM 0 HB3 ALA A 37 1.746 6.791 -0.131 1.00 0.45 H new ATOM 551 N ASN A 38 -1.954 7.054 -0.852 1.00 0.24 N ATOM 552 CA ASN A 38 -3.023 7.790 -0.189 1.00 0.36 C ATOM 553 C ASN A 38 -3.932 6.807 0.538 1.00 0.30 C ATOM 554 O ASN A 38 -4.356 5.803 -0.033 1.00 0.41 O ATOM 555 CB ASN A 38 -3.817 8.638 -1.198 1.00 0.57 C ATOM 556 CG ASN A 38 -3.437 10.115 -1.136 1.00 0.89 C ATOM 557 OD1 ASN A 38 -3.441 10.717 -0.067 1.00 1.74 O ATOM 558 ND2 ASN A 38 -3.125 10.725 -2.277 1.00 1.01 N ATOM 0 H ASN A 38 -2.232 6.127 -1.175 1.00 0.24 H new ATOM 0 HA ASN A 38 -2.588 8.477 0.537 1.00 0.36 H new ATOM 0 HB2 ASN A 38 -3.640 8.261 -2.205 1.00 0.57 H new ATOM 0 HB3 ASN A 38 -4.884 8.531 -1.000 1.00 0.57 H new ATOM 0 HD21 ASN A 38 -2.882 11.716 -2.276 1.00 1.01 H new ATOM 0 HD22 ASN A 38 -3.129 10.202 -3.153 1.00 1.01 H new ATOM 565 N VAL A 39 -4.202 7.087 1.814 1.00 0.32 N ATOM 566 CA VAL A 39 -5.029 6.254 2.671 1.00 0.34 C ATOM 567 C VAL A 39 -6.480 6.740 2.656 1.00 0.32 C ATOM 568 O VAL A 39 -6.735 7.938 2.753 1.00 0.39 O ATOM 569 CB VAL A 39 -4.391 6.173 4.069 1.00 0.51 C ATOM 570 CG1 VAL A 39 -4.452 7.496 4.845 1.00 0.66 C ATOM 571 CG2 VAL A 39 -5.038 5.048 4.877 1.00 0.62 C ATOM 0 H VAL A 39 -3.842 7.917 2.285 1.00 0.32 H new ATOM 0 HA VAL A 39 -5.072 5.232 2.294 1.00 0.34 H new ATOM 0 HB VAL A 39 -3.333 5.958 3.918 1.00 0.51 H new ATOM 0 HG11 VAL A 39 -3.985 7.367 5.821 1.00 0.66 H new ATOM 0 HG12 VAL A 39 -3.922 8.269 4.288 1.00 0.66 H new ATOM 0 HG13 VAL A 39 -5.493 7.793 4.977 1.00 0.66 H new ATOM 0 HG21 VAL A 39 -4.579 4.999 5.865 1.00 0.62 H new ATOM 0 HG22 VAL A 39 -6.105 5.243 4.982 1.00 0.62 H new ATOM 0 HG23 VAL A 39 -4.891 4.099 4.361 1.00 0.62 H new ATOM 581 N ASN A 40 -7.424 5.801 2.529 1.00 0.33 N ATOM 582 CA ASN A 40 -8.861 6.031 2.497 1.00 0.41 C ATOM 583 C ASN A 40 -9.553 5.196 3.573 1.00 0.43 C ATOM 584 O ASN A 40 -10.357 4.304 3.287 1.00 0.40 O ATOM 585 CB ASN A 40 -9.408 5.727 1.095 1.00 0.40 C ATOM 586 CG ASN A 40 -10.808 6.303 0.910 1.00 0.85 C ATOM 587 OD1 ASN A 40 -11.295 7.063 1.740 1.00 1.03 O ATOM 588 ND2 ASN A 40 -11.485 5.924 -0.169 1.00 1.22 N ATOM 0 H ASN A 40 -7.188 4.813 2.442 1.00 0.33 H new ATOM 0 HA ASN A 40 -9.068 7.079 2.714 1.00 0.41 H new ATOM 0 HB2 ASN A 40 -8.738 6.144 0.343 1.00 0.40 H new ATOM 0 HB3 ASN A 40 -9.432 4.649 0.938 1.00 0.40 H new ATOM 0 HD21 ASN A 40 -12.434 6.266 -0.322 1.00 1.22 H new ATOM 0 HD22 ASN A 40 -11.056 5.291 -0.844 1.00 1.22 H new ATOM 595 N LEU A 41 -9.258 5.508 4.839 1.00 0.50 N ATOM 596 CA LEU A 41 -9.855 4.814 5.974 1.00 0.54 C ATOM 597 C LEU A 41 -11.372 4.980 6.023 1.00 0.61 C ATOM 598 O LEU A 41 -12.052 4.136 6.598 1.00 0.63 O ATOM 599 CB LEU A 41 -9.225 5.252 7.302 1.00 0.70 C ATOM 600 CG LEU A 41 -7.712 4.993 7.386 1.00 0.76 C ATOM 601 CD1 LEU A 41 -7.238 5.136 8.836 1.00 0.91 C ATOM 602 CD2 LEU A 41 -7.331 3.584 6.925 1.00 0.69 C ATOM 0 H LEU A 41 -8.602 6.245 5.100 1.00 0.50 H new ATOM 0 HA LEU A 41 -9.644 3.755 5.828 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.411 6.316 7.448 1.00 0.70 H new ATOM 0 HB3 LEU A 41 -9.720 4.727 8.119 1.00 0.70 H new ATOM 0 HG LEU A 41 -7.239 5.724 6.730 1.00 0.76 H new ATOM 0 HD11 LEU A 41 -6.165 4.951 8.888 1.00 0.91 H new ATOM 0 HD12 LEU A 41 -7.450 6.145 9.190 1.00 0.91 H new ATOM 0 HD13 LEU A 41 -7.761 4.414 9.463 1.00 0.91 H new ATOM 0 HD21 LEU A 41 -6.252 3.455 7.005 1.00 0.69 H new ATOM 0 HD22 LEU A 41 -7.832 2.848 7.553 1.00 0.69 H new ATOM 0 HD23 LEU A 41 -7.637 3.445 5.888 1.00 0.69 H new ATOM 614 N ALA A 42 -11.917 6.004 5.357 1.00 0.65 N ATOM 615 CA ALA A 42 -13.357 6.163 5.184 1.00 0.71 C ATOM 616 C ALA A 42 -13.976 4.910 4.561 1.00 0.64 C ATOM 617 O ALA A 42 -15.166 4.657 4.721 1.00 0.67 O ATOM 618 CB ALA A 42 -13.640 7.381 4.299 1.00 0.78 C ATOM 0 H ALA A 42 -11.367 6.745 4.923 1.00 0.65 H new ATOM 0 HA ALA A 42 -13.807 6.313 6.165 1.00 0.71 H new ATOM 0 HB1 ALA A 42 -14.716 7.496 4.172 1.00 0.78 H new ATOM 0 HB2 ALA A 42 -13.232 8.275 4.770 1.00 0.78 H new ATOM 0 HB3 ALA A 42 -13.173 7.239 3.324 1.00 0.78 H new ATOM 624 N THR A 43 -13.163 4.143 3.831 1.00 0.59 N ATOM 625 CA THR A 43 -13.553 2.915 3.169 1.00 0.55 C ATOM 626 C THR A 43 -12.622 1.769 3.599 1.00 0.46 C ATOM 627 O THR A 43 -12.578 0.741 2.930 1.00 0.41 O ATOM 628 CB THR A 43 -13.514 3.219 1.660 1.00 0.56 C ATOM 629 OG1 THR A 43 -14.231 4.414 1.415 1.00 0.68 O ATOM 630 CG2 THR A 43 -14.131 2.128 0.790 1.00 0.58 C ATOM 0 H THR A 43 -12.181 4.376 3.685 1.00 0.59 H new ATOM 0 HA THR A 43 -14.555 2.581 3.440 1.00 0.55 H new ATOM 0 HB THR A 43 -12.460 3.295 1.394 1.00 0.56 H new ATOM 0 HG1 THR A 43 -14.210 4.617 0.457 1.00 0.68 H new ATOM 0 HG21 THR A 43 -14.064 2.418 -0.259 1.00 0.58 H new ATOM 0 HG22 THR A 43 -13.593 1.193 0.943 1.00 0.58 H new ATOM 0 HG23 THR A 43 -15.178 1.993 1.063 1.00 0.58 H new ATOM 638 N GLU A 44 -11.862 1.931 4.693 1.00 0.47 N ATOM 639 CA GLU A 44 -10.869 0.960 5.161 1.00 0.44 C ATOM 640 C GLU A 44 -9.989 0.454 4.005 1.00 0.38 C ATOM 641 O GLU A 44 -9.639 -0.726 3.936 1.00 0.39 O ATOM 642 CB GLU A 44 -11.583 -0.171 5.915 1.00 0.47 C ATOM 643 CG GLU A 44 -12.227 0.357 7.208 1.00 0.51 C ATOM 644 CD GLU A 44 -13.206 -0.639 7.819 1.00 1.07 C ATOM 645 OE1 GLU A 44 -13.097 -1.837 7.481 1.00 1.96 O ATOM 646 OE2 GLU A 44 -14.052 -0.176 8.615 1.00 2.01 O ATOM 0 H GLU A 44 -11.924 2.758 5.287 1.00 0.47 H new ATOM 0 HA GLU A 44 -10.184 1.444 5.857 1.00 0.44 H new ATOM 0 HB2 GLU A 44 -12.348 -0.614 5.277 1.00 0.47 H new ATOM 0 HB3 GLU A 44 -10.871 -0.961 6.154 1.00 0.47 H new ATOM 0 HG2 GLU A 44 -11.446 0.585 7.933 1.00 0.51 H new ATOM 0 HG3 GLU A 44 -12.748 1.291 6.996 1.00 0.51 H new ATOM 653 N THR A 45 -9.642 1.360 3.087 1.00 0.39 N ATOM 654 CA THR A 45 -8.971 1.050 1.837 1.00 0.35 C ATOM 655 C THR A 45 -7.808 2.018 1.702 1.00 0.29 C ATOM 656 O THR A 45 -7.833 3.111 2.265 1.00 0.32 O ATOM 657 CB THR A 45 -9.990 1.141 0.682 1.00 0.39 C ATOM 658 OG1 THR A 45 -10.962 0.128 0.837 1.00 0.55 O ATOM 659 CG2 THR A 45 -9.440 0.961 -0.737 1.00 0.40 C ATOM 0 H THR A 45 -9.829 2.356 3.203 1.00 0.39 H new ATOM 0 HA THR A 45 -8.573 0.036 1.811 1.00 0.35 H new ATOM 0 HB THR A 45 -10.368 2.161 0.759 1.00 0.39 H new ATOM 0 HG1 THR A 45 -11.494 0.306 1.640 1.00 0.55 H new ATOM 0 HG21 THR A 45 -10.254 1.047 -1.456 1.00 0.40 H new ATOM 0 HG22 THR A 45 -8.695 1.731 -0.939 1.00 0.40 H new ATOM 0 HG23 THR A 45 -8.979 -0.023 -0.826 1.00 0.40 H new ATOM 667 N VAL A 46 -6.770 1.609 0.984 1.00 0.25 N ATOM 668 CA VAL A 46 -5.639 2.458 0.667 1.00 0.20 C ATOM 669 C VAL A 46 -5.343 2.300 -0.816 1.00 0.18 C ATOM 670 O VAL A 46 -5.634 1.245 -1.389 1.00 0.21 O ATOM 671 CB VAL A 46 -4.470 2.085 1.581 1.00 0.29 C ATOM 672 CG1 VAL A 46 -3.989 0.648 1.343 1.00 0.41 C ATOM 673 CG2 VAL A 46 -3.265 3.002 1.406 1.00 0.31 C ATOM 0 H VAL A 46 -6.693 0.666 0.603 1.00 0.25 H new ATOM 0 HA VAL A 46 -5.841 3.514 0.847 1.00 0.20 H new ATOM 0 HB VAL A 46 -4.866 2.191 2.591 1.00 0.29 H new ATOM 0 HG11 VAL A 46 -3.158 0.427 2.013 1.00 0.41 H new ATOM 0 HG12 VAL A 46 -4.807 -0.046 1.537 1.00 0.41 H new ATOM 0 HG13 VAL A 46 -3.660 0.541 0.309 1.00 0.41 H new ATOM 0 HG21 VAL A 46 -2.468 2.688 2.080 1.00 0.31 H new ATOM 0 HG22 VAL A 46 -2.912 2.946 0.376 1.00 0.31 H new ATOM 0 HG23 VAL A 46 -3.552 4.028 1.636 1.00 0.31 H new ATOM 683 N ASN A 47 -4.819 3.363 -1.431 1.00 0.20 N ATOM 684 CA ASN A 47 -4.434 3.374 -2.827 1.00 0.25 C ATOM 685 C ASN A 47 -2.982 3.804 -2.951 1.00 0.22 C ATOM 686 O ASN A 47 -2.496 4.598 -2.145 1.00 0.26 O ATOM 687 CB ASN A 47 -5.388 4.255 -3.650 1.00 0.38 C ATOM 688 CG ASN A 47 -5.046 5.742 -3.577 1.00 1.31 C ATOM 689 OD1 ASN A 47 -5.582 6.473 -2.752 1.00 2.90 O ATOM 690 ND2 ASN A 47 -4.172 6.213 -4.464 1.00 0.99 N ATOM 0 H ASN A 47 -4.651 4.250 -0.957 1.00 0.20 H new ATOM 0 HA ASN A 47 -4.516 2.368 -3.238 1.00 0.25 H new ATOM 0 HB2 ASN A 47 -5.362 3.933 -4.691 1.00 0.38 H new ATOM 0 HB3 ASN A 47 -6.408 4.105 -3.295 1.00 0.38 H new ATOM 0 HD21 ASN A 47 -3.934 7.205 -4.468 1.00 0.99 H new ATOM 0 HD22 ASN A 47 -3.741 5.582 -5.140 1.00 0.99 H new ATOM 697 N VAL A 48 -2.297 3.279 -3.967 1.00 0.23 N ATOM 698 CA VAL A 48 -0.900 3.584 -4.222 1.00 0.23 C ATOM 699 C VAL A 48 -0.638 3.527 -5.726 1.00 0.24 C ATOM 700 O VAL A 48 -1.080 2.616 -6.422 1.00 0.32 O ATOM 701 CB VAL A 48 0.036 2.738 -3.327 1.00 0.26 C ATOM 702 CG1 VAL A 48 -0.145 1.234 -3.516 1.00 0.29 C ATOM 703 CG2 VAL A 48 1.518 3.062 -3.529 1.00 0.29 C ATOM 0 H VAL A 48 -2.704 2.627 -4.637 1.00 0.23 H new ATOM 0 HA VAL A 48 -0.662 4.606 -3.926 1.00 0.23 H new ATOM 0 HB VAL A 48 -0.261 3.013 -2.315 1.00 0.26 H new ATOM 0 HG11 VAL A 48 0.541 0.700 -2.859 1.00 0.29 H new ATOM 0 HG12 VAL A 48 -1.171 0.957 -3.272 1.00 0.29 H new ATOM 0 HG13 VAL A 48 0.065 0.970 -4.552 1.00 0.29 H new ATOM 0 HG21 VAL A 48 2.120 2.435 -2.872 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.794 2.872 -4.566 1.00 0.29 H new ATOM 0 HG23 VAL A 48 1.697 4.111 -3.293 1.00 0.29 H new ATOM 713 N ILE A 49 0.015 4.569 -6.229 1.00 0.21 N ATOM 714 CA ILE A 49 0.388 4.764 -7.611 1.00 0.22 C ATOM 715 C ILE A 49 1.819 4.275 -7.768 1.00 0.22 C ATOM 716 O ILE A 49 2.720 4.773 -7.086 1.00 0.29 O ATOM 717 CB ILE A 49 0.213 6.238 -8.017 1.00 0.26 C ATOM 718 CG1 ILE A 49 -1.146 6.767 -7.521 1.00 0.38 C ATOM 719 CG2 ILE A 49 0.335 6.354 -9.544 1.00 0.32 C ATOM 720 CD1 ILE A 49 -1.484 8.158 -8.059 1.00 0.95 C ATOM 0 H ILE A 49 0.313 5.345 -5.638 1.00 0.21 H new ATOM 0 HA ILE A 49 -0.258 4.195 -8.280 1.00 0.22 H new ATOM 0 HB ILE A 49 0.991 6.846 -7.556 1.00 0.26 H new ATOM 0 HG12 ILE A 49 -1.930 6.070 -7.817 1.00 0.38 H new ATOM 0 HG13 ILE A 49 -1.141 6.797 -6.431 1.00 0.38 H new ATOM 0 HG21 ILE A 49 0.212 7.396 -9.841 1.00 0.32 H new ATOM 0 HG22 ILE A 49 1.317 6.000 -9.858 1.00 0.32 H new ATOM 0 HG23 ILE A 49 -0.438 5.748 -10.018 1.00 0.32 H new ATOM 0 HD11 ILE A 49 -2.453 8.472 -7.672 1.00 0.95 H new ATOM 0 HD12 ILE A 49 -0.719 8.867 -7.741 1.00 0.95 H new ATOM 0 HD13 ILE A 49 -1.521 8.128 -9.148 1.00 0.95 H new ATOM 732 N TYR A 50 2.018 3.284 -8.637 1.00 0.17 N ATOM 733 CA TYR A 50 3.319 2.704 -8.903 1.00 0.16 C ATOM 734 C TYR A 50 3.390 2.213 -10.336 1.00 0.14 C ATOM 735 O TYR A 50 2.378 2.130 -11.038 1.00 0.16 O ATOM 736 CB TYR A 50 3.632 1.550 -7.937 1.00 0.22 C ATOM 737 CG TYR A 50 2.568 0.465 -7.846 1.00 0.25 C ATOM 738 CD1 TYR A 50 2.287 -0.361 -8.954 1.00 1.65 C ATOM 739 CD2 TYR A 50 1.967 0.177 -6.607 1.00 1.77 C ATOM 740 CE1 TYR A 50 1.393 -1.436 -8.832 1.00 1.64 C ATOM 741 CE2 TYR A 50 1.134 -0.946 -6.468 1.00 1.82 C ATOM 742 CZ TYR A 50 0.845 -1.752 -7.582 1.00 0.43 C ATOM 743 OH TYR A 50 0.117 -2.896 -7.430 1.00 0.46 O ATOM 0 H TYR A 50 1.265 2.861 -9.179 1.00 0.17 H new ATOM 0 HA TYR A 50 4.066 3.482 -8.749 1.00 0.16 H new ATOM 0 HB2 TYR A 50 4.571 1.089 -8.242 1.00 0.22 H new ATOM 0 HB3 TYR A 50 3.789 1.965 -6.941 1.00 0.22 H new ATOM 0 HD1 TYR A 50 2.763 -0.165 -9.903 1.00 1.65 H new ATOM 0 HD2 TYR A 50 2.147 0.822 -5.759 1.00 1.77 H new ATOM 0 HE1 TYR A 50 1.128 -2.019 -9.701 1.00 1.64 H new ATOM 0 HE2 TYR A 50 0.715 -1.190 -5.503 1.00 1.82 H new ATOM 0 HH TYR A 50 -0.191 -2.967 -6.502 1.00 0.46 H new ATOM 753 N ASP A 51 4.607 1.854 -10.733 1.00 0.16 N ATOM 754 CA ASP A 51 4.931 1.403 -12.064 1.00 0.19 C ATOM 755 C ASP A 51 5.135 -0.118 -12.101 1.00 0.21 C ATOM 756 O ASP A 51 6.036 -0.607 -11.416 1.00 0.27 O ATOM 757 CB ASP A 51 6.187 2.145 -12.494 1.00 0.24 C ATOM 758 CG ASP A 51 6.411 1.905 -13.976 1.00 0.32 C ATOM 759 OD1 ASP A 51 6.611 0.719 -14.312 1.00 2.03 O ATOM 760 OD2 ASP A 51 6.316 2.885 -14.742 1.00 1.83 O ATOM 0 H ASP A 51 5.414 1.873 -10.110 1.00 0.16 H new ATOM 0 HA ASP A 51 4.112 1.615 -12.751 1.00 0.19 H new ATOM 0 HB2 ASP A 51 6.082 3.212 -12.296 1.00 0.24 H new ATOM 0 HB3 ASP A 51 7.046 1.797 -11.921 1.00 0.24 H new ATOM 765 N PRO A 52 4.359 -0.865 -12.912 1.00 0.27 N ATOM 766 CA PRO A 52 4.433 -2.319 -13.025 1.00 0.34 C ATOM 767 C PRO A 52 5.743 -2.836 -13.625 1.00 0.33 C ATOM 768 O PRO A 52 5.881 -4.046 -13.793 1.00 0.48 O ATOM 769 CB PRO A 52 3.211 -2.728 -13.852 1.00 0.50 C ATOM 770 CG PRO A 52 2.971 -1.514 -14.743 1.00 0.50 C ATOM 771 CD PRO A 52 3.374 -0.345 -13.848 1.00 0.34 C ATOM 0 HA PRO A 52 4.425 -2.772 -12.034 1.00 0.34 H new ATOM 0 HB2 PRO A 52 3.404 -3.626 -14.439 1.00 0.50 H new ATOM 0 HB3 PRO A 52 2.349 -2.940 -13.219 1.00 0.50 H new ATOM 0 HG2 PRO A 52 3.574 -1.554 -15.650 1.00 0.50 H new ATOM 0 HG3 PRO A 52 1.929 -1.442 -15.055 1.00 0.50 H new ATOM 0 HD2 PRO A 52 3.792 0.470 -14.439 1.00 0.34 H new ATOM 0 HD3 PRO A 52 2.509 0.055 -13.319 1.00 0.34 H new ATOM 779 N ALA A 53 6.706 -1.966 -13.937 1.00 0.29 N ATOM 780 CA ALA A 53 8.001 -2.405 -14.448 1.00 0.37 C ATOM 781 C ALA A 53 8.845 -2.917 -13.281 1.00 0.36 C ATOM 782 O ALA A 53 9.377 -4.023 -13.319 1.00 0.47 O ATOM 783 CB ALA A 53 8.703 -1.258 -15.183 1.00 0.43 C ATOM 0 H ALA A 53 6.611 -0.955 -13.844 1.00 0.29 H new ATOM 0 HA ALA A 53 7.862 -3.214 -15.166 1.00 0.37 H new ATOM 0 HB1 ALA A 53 9.667 -1.602 -15.558 1.00 0.43 H new ATOM 0 HB2 ALA A 53 8.085 -0.929 -16.019 1.00 0.43 H new ATOM 0 HB3 ALA A 53 8.857 -0.426 -14.496 1.00 0.43 H new ATOM 789 N GLU A 54 8.935 -2.088 -12.242 1.00 0.29 N ATOM 790 CA GLU A 54 9.643 -2.362 -10.999 1.00 0.31 C ATOM 791 C GLU A 54 8.688 -3.012 -9.996 1.00 0.32 C ATOM 792 O GLU A 54 9.032 -3.960 -9.293 1.00 0.47 O ATOM 793 CB GLU A 54 10.137 -1.018 -10.445 1.00 0.36 C ATOM 794 CG GLU A 54 11.251 -0.393 -11.298 1.00 0.44 C ATOM 795 CD GLU A 54 12.601 -1.054 -11.042 1.00 1.67 C ATOM 796 OE1 GLU A 54 13.145 -0.808 -9.943 1.00 2.62 O ATOM 797 OE2 GLU A 54 13.064 -1.780 -11.946 1.00 3.04 O ATOM 0 H GLU A 54 8.496 -1.167 -12.247 1.00 0.29 H new ATOM 0 HA GLU A 54 10.479 -3.039 -11.172 1.00 0.31 H new ATOM 0 HB2 GLU A 54 9.298 -0.324 -10.387 1.00 0.36 H new ATOM 0 HB3 GLU A 54 10.502 -1.162 -9.428 1.00 0.36 H new ATOM 0 HG2 GLU A 54 10.996 -0.486 -12.354 1.00 0.44 H new ATOM 0 HG3 GLU A 54 11.321 0.673 -11.080 1.00 0.44 H new ATOM 804 N THR A 55 7.485 -2.445 -9.921 1.00 0.28 N ATOM 805 CA THR A 55 6.560 -2.508 -8.808 1.00 0.29 C ATOM 806 C THR A 55 5.152 -2.964 -9.115 1.00 0.39 C ATOM 807 O THR A 55 4.404 -2.318 -9.837 1.00 0.59 O ATOM 808 CB THR A 55 6.602 -1.195 -8.059 1.00 0.44 C ATOM 809 OG1 THR A 55 7.931 -1.125 -7.604 1.00 0.59 O ATOM 810 CG2 THR A 55 5.755 -1.205 -6.821 1.00 0.58 C ATOM 0 H THR A 55 7.112 -1.893 -10.694 1.00 0.28 H new ATOM 0 HA THR A 55 6.913 -3.321 -8.174 1.00 0.29 H new ATOM 0 HB THR A 55 6.256 -0.385 -8.701 1.00 0.44 H new ATOM 0 HG1 THR A 55 7.961 -0.634 -6.756 1.00 0.59 H new ATOM 0 HG21 THR A 55 5.824 -0.237 -6.325 1.00 0.58 H new ATOM 0 HG22 THR A 55 4.717 -1.401 -7.092 1.00 0.58 H new ATOM 0 HG23 THR A 55 6.107 -1.985 -6.146 1.00 0.58 H new ATOM 818 N GLY A 56 4.759 -4.038 -8.437 1.00 0.46 N ATOM 819 CA GLY A 56 3.427 -4.565 -8.453 1.00 0.97 C ATOM 820 C GLY A 56 3.178 -5.129 -7.068 1.00 0.59 C ATOM 821 O GLY A 56 4.098 -5.265 -6.255 1.00 0.42 O ATOM 0 H GLY A 56 5.393 -4.574 -7.845 1.00 0.46 H new ATOM 0 HA2 GLY A 56 2.703 -3.786 -8.692 1.00 0.97 H new ATOM 0 HA3 GLY A 56 3.324 -5.340 -9.213 1.00 0.97 H new ATOM 825 N THR A 57 1.918 -5.467 -6.831 1.00 0.50 N ATOM 826 CA THR A 57 1.405 -6.067 -5.618 1.00 0.24 C ATOM 827 C THR A 57 2.346 -7.123 -5.019 1.00 0.26 C ATOM 828 O THR A 57 2.562 -7.119 -3.812 1.00 0.31 O ATOM 829 CB THR A 57 -0.076 -6.447 -5.778 1.00 0.41 C ATOM 830 OG1 THR A 57 -0.416 -7.423 -4.824 1.00 0.71 O ATOM 831 CG2 THR A 57 -0.496 -6.966 -7.154 1.00 0.65 C ATOM 0 H THR A 57 1.186 -5.318 -7.526 1.00 0.50 H new ATOM 0 HA THR A 57 1.400 -5.320 -4.824 1.00 0.24 H new ATOM 0 HB THR A 57 -0.610 -5.507 -5.638 1.00 0.41 H new ATOM 0 HG1 THR A 57 -1.254 -7.858 -5.085 1.00 0.71 H new ATOM 0 HG21 THR A 57 -1.560 -7.201 -7.145 1.00 0.65 H new ATOM 0 HG22 THR A 57 -0.299 -6.202 -7.906 1.00 0.65 H new ATOM 0 HG23 THR A 57 0.072 -7.865 -7.393 1.00 0.65 H new ATOM 839 N ALA A 58 2.975 -7.953 -5.856 1.00 0.43 N ATOM 840 CA ALA A 58 4.050 -8.861 -5.463 1.00 0.46 C ATOM 841 C ALA A 58 5.011 -8.252 -4.430 1.00 0.39 C ATOM 842 O ALA A 58 5.200 -8.797 -3.344 1.00 0.47 O ATOM 843 CB ALA A 58 4.838 -9.258 -6.717 1.00 0.52 C ATOM 0 H ALA A 58 2.744 -8.012 -6.848 1.00 0.43 H new ATOM 0 HA ALA A 58 3.589 -9.728 -4.989 1.00 0.46 H new ATOM 0 HB1 ALA A 58 5.645 -9.936 -6.440 1.00 0.52 H new ATOM 0 HB2 ALA A 58 4.172 -9.755 -7.423 1.00 0.52 H new ATOM 0 HB3 ALA A 58 5.258 -8.365 -7.181 1.00 0.52 H new ATOM 849 N ALA A 59 5.654 -7.139 -4.794 1.00 0.29 N ATOM 850 CA ALA A 59 6.693 -6.527 -3.977 1.00 0.19 C ATOM 851 C ALA A 59 6.052 -5.850 -2.775 1.00 0.17 C ATOM 852 O ALA A 59 6.605 -5.813 -1.674 1.00 0.25 O ATOM 853 CB ALA A 59 7.492 -5.542 -4.834 1.00 0.24 C ATOM 0 H ALA A 59 5.465 -6.641 -5.664 1.00 0.29 H new ATOM 0 HA ALA A 59 7.385 -7.282 -3.604 1.00 0.19 H new ATOM 0 HB1 ALA A 59 8.271 -5.081 -4.227 1.00 0.24 H new ATOM 0 HB2 ALA A 59 7.949 -6.073 -5.669 1.00 0.24 H new ATOM 0 HB3 ALA A 59 6.826 -4.769 -5.217 1.00 0.24 H new ATOM 859 N ILE A 60 4.867 -5.293 -3.029 1.00 0.17 N ATOM 860 CA ILE A 60 4.102 -4.545 -2.069 1.00 0.16 C ATOM 861 C ILE A 60 3.773 -5.469 -0.894 1.00 0.21 C ATOM 862 O ILE A 60 4.230 -5.193 0.209 1.00 0.28 O ATOM 863 CB ILE A 60 2.911 -3.871 -2.793 1.00 0.26 C ATOM 864 CG1 ILE A 60 3.185 -2.397 -3.111 1.00 0.51 C ATOM 865 CG2 ILE A 60 1.559 -3.972 -2.093 1.00 0.40 C ATOM 866 CD1 ILE A 60 4.015 -2.223 -4.375 1.00 1.06 C ATOM 0 H ILE A 60 4.412 -5.360 -3.940 1.00 0.17 H new ATOM 0 HA ILE A 60 4.648 -3.713 -1.625 1.00 0.16 H new ATOM 0 HB ILE A 60 2.832 -4.457 -3.709 1.00 0.26 H new ATOM 0 HG12 ILE A 60 2.238 -1.870 -3.226 1.00 0.51 H new ATOM 0 HG13 ILE A 60 3.706 -1.937 -2.271 1.00 0.51 H new ATOM 0 HG21 ILE A 60 0.801 -3.465 -2.690 1.00 0.40 H new ATOM 0 HG22 ILE A 60 1.287 -5.021 -1.976 1.00 0.40 H new ATOM 0 HG23 ILE A 60 1.621 -3.502 -1.112 1.00 0.40 H new ATOM 0 HD11 ILE A 60 4.182 -1.161 -4.557 1.00 1.06 H new ATOM 0 HD12 ILE A 60 4.974 -2.725 -4.252 1.00 1.06 H new ATOM 0 HD13 ILE A 60 3.484 -2.657 -5.222 1.00 1.06 H new ATOM 878 N GLN A 61 3.061 -6.582 -1.118 1.00 0.25 N ATOM 879 CA GLN A 61 2.670 -7.521 -0.064 1.00 0.27 C ATOM 880 C GLN A 61 3.872 -7.875 0.807 1.00 0.28 C ATOM 881 O GLN A 61 3.807 -7.773 2.027 1.00 0.29 O ATOM 882 CB GLN A 61 2.092 -8.824 -0.643 1.00 0.32 C ATOM 883 CG GLN A 61 0.576 -9.002 -0.474 1.00 0.56 C ATOM 884 CD GLN A 61 -0.215 -8.501 -1.670 1.00 0.65 C ATOM 885 OE1 GLN A 61 -1.064 -9.198 -2.211 1.00 1.13 O ATOM 886 NE2 GLN A 61 0.096 -7.295 -2.113 1.00 0.50 N ATOM 0 H GLN A 61 2.738 -6.856 -2.046 1.00 0.25 H new ATOM 0 HA GLN A 61 1.902 -7.026 0.530 1.00 0.27 H new ATOM 0 HB2 GLN A 61 2.330 -8.867 -1.706 1.00 0.32 H new ATOM 0 HB3 GLN A 61 2.595 -9.667 -0.170 1.00 0.32 H new ATOM 0 HG2 GLN A 61 0.355 -10.057 -0.315 1.00 0.56 H new ATOM 0 HG3 GLN A 61 0.250 -8.470 0.420 1.00 0.56 H new ATOM 0 HE21 GLN A 61 0.809 -6.744 -1.635 1.00 0.50 H new ATOM 0 HE22 GLN A 61 -0.377 -6.915 -2.933 1.00 0.50 H new ATOM 895 N GLU A 62 4.957 -8.291 0.155 1.00 0.27 N ATOM 896 CA GLU A 62 6.208 -8.646 0.805 1.00 0.27 C ATOM 897 C GLU A 62 6.618 -7.619 1.855 1.00 0.29 C ATOM 898 O GLU A 62 6.888 -7.961 3.006 1.00 0.33 O ATOM 899 CB GLU A 62 7.288 -8.828 -0.281 1.00 0.28 C ATOM 900 CG GLU A 62 8.135 -10.091 -0.105 1.00 0.38 C ATOM 901 CD GLU A 62 9.147 -9.942 1.024 1.00 1.17 C ATOM 902 OE1 GLU A 62 9.771 -8.859 1.077 1.00 2.17 O ATOM 903 OE2 GLU A 62 9.301 -10.899 1.808 1.00 2.38 O ATOM 0 H GLU A 62 4.987 -8.391 -0.860 1.00 0.27 H new ATOM 0 HA GLU A 62 6.081 -9.583 1.347 1.00 0.27 H new ATOM 0 HB2 GLU A 62 6.806 -8.858 -1.258 1.00 0.28 H new ATOM 0 HB3 GLU A 62 7.945 -7.958 -0.277 1.00 0.28 H new ATOM 0 HG2 GLU A 62 7.483 -10.940 0.101 1.00 0.38 H new ATOM 0 HG3 GLU A 62 8.659 -10.310 -1.036 1.00 0.38 H new ATOM 910 N LYS A 63 6.641 -6.344 1.474 1.00 0.27 N ATOM 911 CA LYS A 63 6.931 -5.310 2.438 1.00 0.26 C ATOM 912 C LYS A 63 5.777 -5.146 3.427 1.00 0.23 C ATOM 913 O LYS A 63 6.034 -5.069 4.627 1.00 0.26 O ATOM 914 CB LYS A 63 7.329 -4.022 1.712 1.00 0.27 C ATOM 915 CG LYS A 63 8.825 -3.732 1.910 1.00 0.29 C ATOM 916 CD LYS A 63 9.708 -4.814 1.254 1.00 0.38 C ATOM 917 CE LYS A 63 10.552 -5.602 2.271 1.00 0.87 C ATOM 918 NZ LYS A 63 11.180 -6.788 1.654 1.00 1.90 N ATOM 0 H LYS A 63 6.465 -6.016 0.524 1.00 0.27 H new ATOM 0 HA LYS A 63 7.788 -5.596 3.048 1.00 0.26 H new ATOM 0 HB2 LYS A 63 7.108 -4.114 0.649 1.00 0.27 H new ATOM 0 HB3 LYS A 63 6.738 -3.188 2.089 1.00 0.27 H new ATOM 0 HG2 LYS A 63 9.066 -2.758 1.484 1.00 0.29 H new ATOM 0 HG3 LYS A 63 9.047 -3.678 2.976 1.00 0.29 H new ATOM 0 HD2 LYS A 63 9.073 -5.508 0.703 1.00 0.38 H new ATOM 0 HD3 LYS A 63 10.371 -4.343 0.528 1.00 0.38 H new ATOM 0 HE2 LYS A 63 11.325 -4.953 2.683 1.00 0.87 H new ATOM 0 HE3 LYS A 63 9.921 -5.915 3.103 1.00 0.87 H new ATOM 0 HZ1 LYS A 63 12.005 -7.077 2.218 1.00 1.90 H new ATOM 0 HZ2 LYS A 63 10.492 -7.568 1.622 1.00 1.90 H new ATOM 0 HZ3 LYS A 63 11.485 -6.556 0.687 1.00 1.90 H new ATOM 932 N ILE A 64 4.527 -5.095 2.959 1.00 0.20 N ATOM 933 CA ILE A 64 3.373 -4.846 3.803 1.00 0.19 C ATOM 934 C ILE A 64 3.353 -5.815 4.998 1.00 0.22 C ATOM 935 O ILE A 64 3.138 -5.392 6.137 1.00 0.26 O ATOM 936 CB ILE A 64 2.057 -4.899 3.003 1.00 0.22 C ATOM 937 CG1 ILE A 64 1.872 -3.762 1.987 1.00 0.28 C ATOM 938 CG2 ILE A 64 0.894 -4.848 3.996 1.00 0.29 C ATOM 939 CD1 ILE A 64 2.294 -2.415 2.551 1.00 0.87 C ATOM 0 H ILE A 64 4.294 -5.227 1.975 1.00 0.20 H new ATOM 0 HA ILE A 64 3.460 -3.833 4.196 1.00 0.19 H new ATOM 0 HB ILE A 64 2.087 -5.822 2.424 1.00 0.22 H new ATOM 0 HG12 ILE A 64 2.455 -3.978 1.092 1.00 0.28 H new ATOM 0 HG13 ILE A 64 0.826 -3.715 1.683 1.00 0.28 H new ATOM 0 HG21 ILE A 64 -0.050 -4.884 3.453 1.00 0.29 H new ATOM 0 HG22 ILE A 64 0.956 -5.700 4.673 1.00 0.29 H new ATOM 0 HG23 ILE A 64 0.947 -3.923 4.571 1.00 0.29 H new ATOM 0 HD11 ILE A 64 2.145 -1.642 1.797 1.00 0.87 H new ATOM 0 HD12 ILE A 64 1.693 -2.184 3.431 1.00 0.87 H new ATOM 0 HD13 ILE A 64 3.347 -2.451 2.831 1.00 0.87 H new ATOM 951 N GLU A 65 3.616 -7.101 4.747 1.00 0.23 N ATOM 952 CA GLU A 65 3.758 -8.089 5.804 1.00 0.30 C ATOM 953 C GLU A 65 4.711 -7.565 6.885 1.00 0.41 C ATOM 954 O GLU A 65 4.383 -7.542 8.070 1.00 0.51 O ATOM 955 CB GLU A 65 4.255 -9.394 5.171 1.00 0.33 C ATOM 956 CG GLU A 65 3.115 -10.187 4.513 1.00 0.25 C ATOM 957 CD GLU A 65 2.591 -11.298 5.419 1.00 0.28 C ATOM 958 OE1 GLU A 65 2.309 -10.992 6.597 1.00 1.41 O ATOM 959 OE2 GLU A 65 2.493 -12.438 4.918 1.00 1.59 O ATOM 0 H GLU A 65 3.735 -7.479 3.807 1.00 0.23 H new ATOM 0 HA GLU A 65 2.803 -8.281 6.294 1.00 0.30 H new ATOM 0 HB2 GLU A 65 5.017 -9.168 4.425 1.00 0.33 H new ATOM 0 HB3 GLU A 65 4.730 -10.009 5.935 1.00 0.33 H new ATOM 0 HG2 GLU A 65 2.299 -9.509 4.263 1.00 0.25 H new ATOM 0 HG3 GLU A 65 3.468 -10.619 3.577 1.00 0.25 H new ATOM 966 N LYS A 66 5.895 -7.107 6.476 1.00 0.41 N ATOM 967 CA LYS A 66 6.942 -6.667 7.380 1.00 0.47 C ATOM 968 C LYS A 66 6.636 -5.319 8.031 1.00 0.39 C ATOM 969 O LYS A 66 7.080 -5.073 9.150 1.00 0.45 O ATOM 970 CB LYS A 66 8.284 -6.689 6.651 1.00 0.58 C ATOM 971 CG LYS A 66 9.409 -7.168 7.587 1.00 0.88 C ATOM 972 CD LYS A 66 10.664 -7.600 6.812 1.00 1.14 C ATOM 973 CE LYS A 66 11.596 -6.428 6.467 1.00 2.90 C ATOM 974 NZ LYS A 66 12.790 -6.396 7.339 1.00 4.05 N ATOM 0 H LYS A 66 6.151 -7.033 5.491 1.00 0.41 H new ATOM 0 HA LYS A 66 6.995 -7.366 8.215 1.00 0.47 H new ATOM 0 HB2 LYS A 66 8.221 -7.347 5.785 1.00 0.58 H new ATOM 0 HB3 LYS A 66 8.516 -5.692 6.277 1.00 0.58 H new ATOM 0 HG2 LYS A 66 9.669 -6.367 8.279 1.00 0.88 H new ATOM 0 HG3 LYS A 66 9.049 -8.004 8.187 1.00 0.88 H new ATOM 0 HD2 LYS A 66 11.215 -8.331 7.404 1.00 1.14 H new ATOM 0 HD3 LYS A 66 10.361 -8.098 5.891 1.00 1.14 H new ATOM 0 HE2 LYS A 66 11.909 -6.508 5.426 1.00 2.90 H new ATOM 0 HE3 LYS A 66 11.050 -5.490 6.565 1.00 2.90 H new ATOM 0 HZ1 LYS A 66 13.392 -5.591 7.073 1.00 4.05 H new ATOM 0 HZ2 LYS A 66 12.493 -6.294 8.331 1.00 4.05 H new ATOM 0 HZ3 LYS A 66 13.325 -7.281 7.227 1.00 4.05 H new ATOM 988 N LEU A 67 5.871 -4.451 7.357 1.00 0.31 N ATOM 989 CA LEU A 67 5.265 -3.296 8.005 1.00 0.32 C ATOM 990 C LEU A 67 4.441 -3.741 9.223 1.00 0.37 C ATOM 991 O LEU A 67 4.270 -2.956 10.154 1.00 0.39 O ATOM 992 CB LEU A 67 4.415 -2.500 6.997 1.00 0.28 C ATOM 993 CG LEU A 67 5.171 -1.454 6.165 1.00 0.33 C ATOM 994 CD1 LEU A 67 5.679 -0.311 7.044 1.00 0.94 C ATOM 995 CD2 LEU A 67 6.315 -1.997 5.308 1.00 0.58 C ATOM 0 H LEU A 67 5.661 -4.533 6.362 1.00 0.31 H new ATOM 0 HA LEU A 67 6.052 -2.633 8.364 1.00 0.32 H new ATOM 0 HB2 LEU A 67 3.940 -3.205 6.315 1.00 0.28 H new ATOM 0 HB3 LEU A 67 3.617 -1.996 7.542 1.00 0.28 H new ATOM 0 HG LEU A 67 4.425 -1.088 5.459 1.00 0.33 H new ATOM 0 HD11 LEU A 67 6.210 0.414 6.427 1.00 0.94 H new ATOM 0 HD12 LEU A 67 4.834 0.177 7.531 1.00 0.94 H new ATOM 0 HD13 LEU A 67 6.355 -0.707 7.801 1.00 0.94 H new ATOM 0 HD21 LEU A 67 6.781 -1.177 4.762 1.00 0.58 H new ATOM 0 HD22 LEU A 67 7.056 -2.473 5.950 1.00 0.58 H new ATOM 0 HD23 LEU A 67 5.924 -2.728 4.601 1.00 0.58 H new ATOM 1007 N GLY A 68 3.956 -4.988 9.232 1.00 0.42 N ATOM 1008 CA GLY A 68 3.260 -5.602 10.352 1.00 0.48 C ATOM 1009 C GLY A 68 1.759 -5.631 10.098 1.00 0.47 C ATOM 1010 O GLY A 68 0.977 -5.543 11.043 1.00 0.57 O ATOM 0 H GLY A 68 4.044 -5.612 8.430 1.00 0.42 H new ATOM 0 HA2 GLY A 68 3.628 -6.617 10.504 1.00 0.48 H new ATOM 0 HA3 GLY A 68 3.469 -5.046 11.266 1.00 0.48 H new ATOM 1014 N TYR A 69 1.356 -5.717 8.827 1.00 0.37 N ATOM 1015 CA TYR A 69 -0.050 -5.688 8.430 1.00 0.41 C ATOM 1016 C TYR A 69 -0.229 -6.627 7.247 1.00 0.35 C ATOM 1017 O TYR A 69 0.761 -7.067 6.674 1.00 0.31 O ATOM 1018 CB TYR A 69 -0.460 -4.258 8.055 1.00 0.41 C ATOM 1019 CG TYR A 69 -0.242 -3.236 9.155 1.00 0.46 C ATOM 1020 CD1 TYR A 69 1.040 -2.704 9.365 1.00 1.96 C ATOM 1021 CD2 TYR A 69 -1.311 -2.801 9.956 1.00 1.99 C ATOM 1022 CE1 TYR A 69 1.264 -1.779 10.392 1.00 1.96 C ATOM 1023 CE2 TYR A 69 -1.100 -1.832 10.953 1.00 2.00 C ATOM 1024 CZ TYR A 69 0.198 -1.354 11.199 1.00 0.49 C ATOM 1025 OH TYR A 69 0.431 -0.460 12.202 1.00 0.53 O ATOM 0 H TYR A 69 2.001 -5.809 8.042 1.00 0.37 H new ATOM 0 HA TYR A 69 -0.684 -6.012 9.255 1.00 0.41 H new ATOM 0 HB2 TYR A 69 0.103 -3.951 7.173 1.00 0.41 H new ATOM 0 HB3 TYR A 69 -1.514 -4.256 7.777 1.00 0.41 H new ATOM 0 HD1 TYR A 69 1.859 -3.010 8.730 1.00 1.96 H new ATOM 0 HD2 TYR A 69 -2.298 -3.212 9.806 1.00 1.99 H new ATOM 0 HE1 TYR A 69 2.258 -1.393 10.563 1.00 1.96 H new ATOM 0 HE2 TYR A 69 -1.933 -1.456 11.528 1.00 2.00 H new ATOM 0 HH TYR A 69 -0.399 -0.302 12.699 1.00 0.53 H new ATOM 1035 N HIS A 70 -1.471 -6.923 6.859 1.00 0.42 N ATOM 1036 CA HIS A 70 -1.756 -7.757 5.710 1.00 0.36 C ATOM 1037 C HIS A 70 -2.694 -6.989 4.789 1.00 0.32 C ATOM 1038 O HIS A 70 -3.790 -6.614 5.203 1.00 0.39 O ATOM 1039 CB HIS A 70 -2.365 -9.116 6.110 1.00 0.50 C ATOM 1040 CG HIS A 70 -2.450 -9.500 7.573 1.00 1.81 C ATOM 1041 ND1 HIS A 70 -2.237 -10.770 8.062 1.00 3.26 N ATOM 1042 CD2 HIS A 70 -3.048 -8.784 8.578 1.00 2.64 C ATOM 1043 CE1 HIS A 70 -2.685 -10.806 9.329 1.00 4.36 C ATOM 1044 NE2 HIS A 70 -3.193 -9.618 9.689 1.00 3.96 N ATOM 0 H HIS A 70 -2.304 -6.585 7.341 1.00 0.42 H new ATOM 0 HA HIS A 70 -0.822 -7.985 5.196 1.00 0.36 H new ATOM 0 HB2 HIS A 70 -3.376 -9.151 5.705 1.00 0.50 H new ATOM 0 HB3 HIS A 70 -1.791 -9.892 5.603 1.00 0.50 H new ATOM 0 HD2 HIS A 70 -3.355 -7.750 8.520 1.00 2.64 H new ATOM 0 HE1 HIS A 70 -2.642 -11.674 9.970 1.00 4.36 H new ATOM 0 HE2 HIS A 70 -3.602 -9.373 10.591 1.00 3.96 H new ATOM 1052 N VAL A 71 -2.268 -6.748 3.551 1.00 0.35 N ATOM 1053 CA VAL A 71 -3.136 -6.155 2.536 1.00 0.34 C ATOM 1054 C VAL A 71 -3.921 -7.259 1.812 1.00 0.35 C ATOM 1055 O VAL A 71 -3.425 -8.378 1.697 1.00 0.41 O ATOM 1056 CB VAL A 71 -2.312 -5.262 1.595 1.00 0.36 C ATOM 1057 CG1 VAL A 71 -1.414 -6.059 0.648 1.00 0.43 C ATOM 1058 CG2 VAL A 71 -3.220 -4.368 0.767 1.00 0.41 C ATOM 0 H VAL A 71 -1.324 -6.955 3.226 1.00 0.35 H new ATOM 0 HA VAL A 71 -3.877 -5.505 3.001 1.00 0.34 H new ATOM 0 HB VAL A 71 -1.672 -4.660 2.241 1.00 0.36 H new ATOM 0 HG11 VAL A 71 -0.858 -5.372 0.010 1.00 0.43 H new ATOM 0 HG12 VAL A 71 -0.715 -6.660 1.229 1.00 0.43 H new ATOM 0 HG13 VAL A 71 -2.028 -6.713 0.029 1.00 0.43 H new ATOM 0 HG21 VAL A 71 -2.615 -3.745 0.108 1.00 0.41 H new ATOM 0 HG22 VAL A 71 -3.890 -4.985 0.168 1.00 0.41 H new ATOM 0 HG23 VAL A 71 -3.807 -3.732 1.430 1.00 0.41 H new ATOM 1068 N VAL A 72 -5.137 -6.955 1.340 1.00 0.37 N ATOM 1069 CA VAL A 72 -6.022 -7.910 0.672 1.00 0.36 C ATOM 1070 C VAL A 72 -6.443 -7.372 -0.699 1.00 0.55 C ATOM 1071 O VAL A 72 -7.223 -6.427 -0.775 1.00 1.28 O ATOM 1072 CB VAL A 72 -7.248 -8.218 1.556 1.00 0.55 C ATOM 1073 CG1 VAL A 72 -6.990 -9.459 2.403 1.00 0.76 C ATOM 1074 CG2 VAL A 72 -7.638 -7.070 2.495 1.00 1.00 C ATOM 0 H VAL A 72 -5.538 -6.020 1.415 1.00 0.37 H new ATOM 0 HA VAL A 72 -5.482 -8.844 0.516 1.00 0.36 H new ATOM 0 HB VAL A 72 -8.075 -8.374 0.863 1.00 0.55 H new ATOM 0 HG11 VAL A 72 -7.863 -9.665 3.022 1.00 0.76 H new ATOM 0 HG12 VAL A 72 -6.798 -10.311 1.751 1.00 0.76 H new ATOM 0 HG13 VAL A 72 -6.124 -9.289 3.042 1.00 0.76 H new ATOM 0 HG21 VAL A 72 -8.508 -7.361 3.084 1.00 1.00 H new ATOM 0 HG22 VAL A 72 -6.806 -6.847 3.163 1.00 1.00 H new ATOM 0 HG23 VAL A 72 -7.878 -6.184 1.907 1.00 1.00 H new ATOM 1084 N ILE A 73 -5.934 -7.971 -1.781 1.00 0.59 N ATOM 1085 CA ILE A 73 -6.210 -7.571 -3.161 1.00 0.61 C ATOM 1086 C ILE A 73 -7.020 -8.682 -3.830 1.00 0.92 C ATOM 1087 O ILE A 73 -6.485 -9.478 -4.595 1.00 1.52 O ATOM 1088 CB ILE A 73 -4.888 -7.268 -3.890 1.00 1.28 C ATOM 1089 CG1 ILE A 73 -4.190 -6.112 -3.157 1.00 1.91 C ATOM 1090 CG2 ILE A 73 -5.104 -6.864 -5.365 1.00 1.29 C ATOM 1091 CD1 ILE A 73 -2.783 -5.855 -3.664 1.00 1.13 C ATOM 0 H ILE A 73 -5.302 -8.769 -1.717 1.00 0.59 H new ATOM 0 HA ILE A 73 -6.800 -6.655 -3.198 1.00 0.61 H new ATOM 0 HB ILE A 73 -4.284 -8.175 -3.885 1.00 1.28 H new ATOM 0 HG12 ILE A 73 -4.783 -5.205 -3.272 1.00 1.91 H new ATOM 0 HG13 ILE A 73 -4.151 -6.335 -2.091 1.00 1.91 H new ATOM 0 HG21 ILE A 73 -4.140 -6.661 -5.832 1.00 1.29 H new ATOM 0 HG22 ILE A 73 -5.601 -7.676 -5.896 1.00 1.29 H new ATOM 0 HG23 ILE A 73 -5.724 -5.969 -5.410 1.00 1.29 H new ATOM 0 HD11 ILE A 73 -2.341 -5.028 -3.108 1.00 1.13 H new ATOM 0 HD12 ILE A 73 -2.177 -6.750 -3.525 1.00 1.13 H new ATOM 0 HD13 ILE A 73 -2.819 -5.602 -4.724 1.00 1.13 H new ATOM 1103 N GLU A 74 -8.320 -8.694 -3.544 1.00 1.17 N ATOM 1104 CA GLU A 74 -9.323 -9.545 -4.160 1.00 1.80 C ATOM 1105 C GLU A 74 -10.432 -8.604 -4.633 1.00 1.67 C ATOM 1106 O GLU A 74 -10.609 -7.544 -4.027 1.00 1.89 O ATOM 1107 CB GLU A 74 -9.857 -10.521 -3.102 1.00 2.79 C ATOM 1108 CG GLU A 74 -8.795 -11.538 -2.647 1.00 4.29 C ATOM 1109 CD GLU A 74 -8.490 -12.587 -3.709 1.00 5.95 C ATOM 1110 OE1 GLU A 74 -9.460 -13.027 -4.364 1.00 6.28 O ATOM 1111 OE2 GLU A 74 -7.300 -12.953 -3.825 1.00 7.37 O ATOM 0 H GLU A 74 -8.718 -8.075 -2.838 1.00 1.17 H new ATOM 0 HA GLU A 74 -8.928 -10.129 -4.991 1.00 1.80 H new ATOM 0 HB2 GLU A 74 -10.209 -9.958 -2.238 1.00 2.79 H new ATOM 0 HB3 GLU A 74 -10.717 -11.055 -3.506 1.00 2.79 H new ATOM 0 HG2 GLU A 74 -7.877 -11.008 -2.392 1.00 4.29 H new ATOM 0 HG3 GLU A 74 -9.139 -12.035 -1.740 1.00 4.29 H new ATOM 1118 N GLY A 75 -11.164 -8.942 -5.698 1.00 2.03 N ATOM 1119 CA GLY A 75 -12.261 -8.087 -6.145 1.00 2.66 C ATOM 1120 C GLY A 75 -12.891 -8.564 -7.448 1.00 3.56 C ATOM 1121 O GLY A 75 -14.113 -8.667 -7.538 1.00 4.66 O ATOM 0 H GLY A 75 -11.020 -9.784 -6.255 1.00 2.03 H new ATOM 0 HA2 GLY A 75 -13.026 -8.051 -5.369 1.00 2.66 H new ATOM 0 HA3 GLY A 75 -11.892 -7.070 -6.277 1.00 2.66 H new ATOM 1125 N ARG A 76 -12.054 -8.836 -8.450 1.00 3.65 N ATOM 1126 CA ARG A 76 -12.434 -9.623 -9.610 1.00 4.96 C ATOM 1127 C ARG A 76 -11.884 -11.025 -9.375 1.00 6.21 C ATOM 1128 O ARG A 76 -10.981 -11.119 -8.510 1.00 6.47 O ATOM 1129 CB ARG A 76 -11.901 -9.013 -10.919 1.00 5.00 C ATOM 1130 CG ARG A 76 -10.389 -9.148 -11.181 1.00 5.09 C ATOM 1131 CD ARG A 76 -9.526 -8.116 -10.447 1.00 5.12 C ATOM 1132 NE ARG A 76 -8.126 -8.218 -10.888 1.00 5.83 N ATOM 1133 CZ ARG A 76 -7.147 -7.357 -10.567 1.00 6.56 C ATOM 1134 NH1 ARG A 76 -7.404 -6.334 -9.745 1.00 6.91 N ATOM 1135 NH2 ARG A 76 -5.921 -7.521 -11.078 1.00 7.58 N ATOM 1136 OXT ARG A 76 -12.339 -11.945 -10.085 1.00 7.39 O ATOM 0 H ARG A 76 -11.087 -8.511 -8.474 1.00 3.65 H new ATOM 0 HA ARG A 76 -13.518 -9.644 -9.725 1.00 4.96 H new ATOM 0 HB2 ARG A 76 -12.433 -9.475 -11.751 1.00 5.00 H new ATOM 0 HB3 ARG A 76 -12.154 -7.953 -10.928 1.00 5.00 H new ATOM 0 HG2 ARG A 76 -10.069 -10.147 -10.886 1.00 5.09 H new ATOM 0 HG3 ARG A 76 -10.209 -9.059 -12.252 1.00 5.09 H new ATOM 0 HD2 ARG A 76 -9.904 -7.112 -10.641 1.00 5.12 H new ATOM 0 HD3 ARG A 76 -9.589 -8.278 -9.371 1.00 5.12 H new ATOM 0 HE ARG A 76 -7.879 -9.007 -11.486 1.00 5.83 H new ATOM 0 HH11 ARG A 76 -8.342 -6.209 -9.364 1.00 6.91 H new ATOM 0 HH12 ARG A 76 -6.662 -5.678 -9.499 1.00 6.91 H new ATOM 0 HH21 ARG A 76 -5.732 -8.299 -11.710 1.00 7.58 H new ATOM 0 HH22 ARG A 76 -5.176 -6.868 -10.835 1.00 7.58 H new TER 1150 ARG A 76