USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 696 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 Single : A 3 GLN : amide:sc=-0.00228 X(o=-0.0023,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 165:sc= 0 USER MOD Single : A 7 THR OG1 : rot 73:sc= 0.936 USER MOD Single : A 9 ASN : amide:sc= -1.81 X(o=-1.8,f=-1.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 178:sc= -2.27! USER MOD Single : A 41 ASN : amide:sc= 0.217 X(o=0.22,f=-0.11) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0169 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.645 K(o=-0.64,f=-2.9!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -0.0122 K(o=-0.012,f=-1.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -3.48 K(o=-3.5,f=-6.1!) USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -5.246 6.419 -15.442 1.00 0.00 N ATOM 32 CA GLN A 3 -5.550 5.191 -14.647 1.00 0.00 C ATOM 33 C GLN A 3 -5.894 5.567 -13.196 1.00 0.00 C ATOM 34 O GLN A 3 -5.108 5.349 -12.293 1.00 0.00 O ATOM 35 CB GLN A 3 -4.268 4.358 -14.700 1.00 0.00 C ATOM 36 CG GLN A 3 -3.991 3.936 -16.144 1.00 0.00 C ATOM 37 CD GLN A 3 -4.771 2.655 -16.462 1.00 0.00 C ATOM 38 OE1 GLN A 3 -4.254 1.567 -16.304 1.00 0.00 O ATOM 39 NE2 GLN A 3 -6.002 2.731 -16.908 1.00 0.00 N ATOM 0 HA GLN A 3 -6.407 4.644 -15.042 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.430 4.937 -14.312 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.368 3.477 -14.066 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.284 4.732 -16.829 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.923 3.769 -16.287 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.440 3.642 -17.042 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.521 1.879 -17.121 1.00 0.00 H new ATOM 48 N GLU A 4 -7.065 6.128 -12.961 1.00 0.00 N ATOM 49 CA GLU A 4 -7.443 6.506 -11.557 1.00 0.00 C ATOM 50 C GLU A 4 -8.291 5.398 -10.916 1.00 0.00 C ATOM 51 O GLU A 4 -8.134 5.102 -9.746 1.00 0.00 O ATOM 52 CB GLU A 4 -8.249 7.807 -11.668 1.00 0.00 C ATOM 53 CG GLU A 4 -7.912 8.719 -10.487 1.00 0.00 C ATOM 54 CD GLU A 4 -9.054 9.714 -10.269 1.00 0.00 C ATOM 55 OE1 GLU A 4 -10.192 9.278 -10.219 1.00 0.00 O ATOM 56 OE2 GLU A 4 -8.770 10.895 -10.156 1.00 0.00 O ATOM 0 H GLU A 4 -7.765 6.337 -13.672 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.562 6.640 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.019 8.311 -12.607 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.316 7.586 -11.678 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.757 8.124 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.982 9.253 -10.680 1.00 0.00 H new ATOM 63 N GLN A 5 -9.184 4.772 -11.663 1.00 0.00 N ATOM 64 CA GLN A 5 -10.022 3.669 -11.055 1.00 0.00 C ATOM 65 C GLN A 5 -9.105 2.607 -10.422 1.00 0.00 C ATOM 66 O GLN A 5 -9.398 2.090 -9.360 1.00 0.00 O ATOM 67 CB GLN A 5 -10.879 3.064 -12.189 1.00 0.00 C ATOM 68 CG GLN A 5 -9.985 2.416 -13.253 1.00 0.00 C ATOM 69 CD GLN A 5 -10.860 1.794 -14.348 1.00 0.00 C ATOM 70 OE1 GLN A 5 -11.065 0.597 -14.364 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.393 2.558 -15.271 1.00 0.00 N ATOM 0 H GLN A 5 -9.368 4.970 -12.647 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.669 4.053 -10.266 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.563 2.321 -11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.491 3.842 -12.645 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.318 3.162 -13.686 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.356 1.651 -12.798 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.223 3.564 -15.261 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.977 2.147 -15.999 1.00 0.00 H new ATOM 80 N TYR A 6 -7.979 2.313 -11.040 1.00 0.00 N ATOM 81 CA TYR A 6 -7.034 1.320 -10.423 1.00 0.00 C ATOM 82 C TYR A 6 -6.338 1.994 -9.232 1.00 0.00 C ATOM 83 O TYR A 6 -6.145 1.388 -8.195 1.00 0.00 O ATOM 84 CB TYR A 6 -5.997 0.955 -11.500 1.00 0.00 C ATOM 85 CG TYR A 6 -6.610 0.011 -12.506 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.311 0.518 -13.605 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.469 -1.371 -12.342 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.875 -0.358 -14.541 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.033 -2.248 -13.277 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.735 -1.741 -14.376 1.00 0.00 C ATOM 91 OH TYR A 6 -8.290 -2.605 -15.298 1.00 0.00 O ATOM 0 H TYR A 6 -7.678 2.710 -11.930 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.551 0.425 -10.076 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.648 1.858 -12.001 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.127 0.491 -11.036 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.417 1.585 -13.732 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.925 -1.762 -11.495 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.417 0.033 -15.389 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -6.926 -3.315 -13.150 1.00 0.00 H new ATOM 0 HH TYR A 6 -7.908 -3.500 -15.179 1.00 0.00 H new ATOM 101 N THR A 7 -5.969 3.252 -9.375 1.00 0.00 N ATOM 102 CA THR A 7 -5.294 3.971 -8.239 1.00 0.00 C ATOM 103 C THR A 7 -6.250 4.062 -7.042 1.00 0.00 C ATOM 104 O THR A 7 -5.844 3.877 -5.909 1.00 0.00 O ATOM 105 CB THR A 7 -4.953 5.380 -8.762 1.00 0.00 C ATOM 106 OG1 THR A 7 -4.068 5.270 -9.874 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.281 6.210 -7.664 1.00 0.00 C ATOM 0 H THR A 7 -6.105 3.806 -10.221 1.00 0.00 H new ATOM 0 HA THR A 7 -4.397 3.448 -7.907 1.00 0.00 H new ATOM 0 HB THR A 7 -5.876 5.875 -9.066 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.560 4.933 -10.652 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.047 7.202 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.956 6.302 -6.813 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.362 5.718 -7.347 1.00 0.00 H new ATOM 115 N GLU A 8 -7.516 4.344 -7.276 1.00 0.00 N ATOM 116 CA GLU A 8 -8.476 4.440 -6.120 1.00 0.00 C ATOM 117 C GLU A 8 -8.612 3.070 -5.453 1.00 0.00 C ATOM 118 O GLU A 8 -8.614 2.969 -4.239 1.00 0.00 O ATOM 119 CB GLU A 8 -9.828 4.898 -6.692 1.00 0.00 C ATOM 120 CG GLU A 8 -9.863 6.426 -6.758 1.00 0.00 C ATOM 121 CD GLU A 8 -11.304 6.896 -6.960 1.00 0.00 C ATOM 122 OE1 GLU A 8 -12.143 6.534 -6.150 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.546 7.610 -7.919 1.00 0.00 O ATOM 0 H GLU A 8 -7.920 4.509 -8.198 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.123 5.146 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.975 4.477 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.642 4.532 -6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.457 6.849 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.236 6.780 -7.577 1.00 0.00 H new ATOM 130 N ASN A 9 -8.700 2.012 -6.227 1.00 0.00 N ATOM 131 CA ASN A 9 -8.802 0.648 -5.601 1.00 0.00 C ATOM 132 C ASN A 9 -7.431 0.266 -5.033 1.00 0.00 C ATOM 133 O ASN A 9 -7.335 -0.278 -3.948 1.00 0.00 O ATOM 134 CB ASN A 9 -9.222 -0.328 -6.711 1.00 0.00 C ATOM 135 CG ASN A 9 -10.662 -0.023 -7.142 1.00 0.00 C ATOM 136 OD1 ASN A 9 -10.926 1.017 -7.710 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.616 -0.889 -6.896 1.00 0.00 N ATOM 0 H ASN A 9 -8.706 2.029 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.530 0.624 -4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.549 -0.237 -7.564 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.148 -1.355 -6.354 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.574 -0.687 -7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.400 -1.764 -6.419 1.00 0.00 H new ATOM 144 N LEU A 10 -6.364 0.562 -5.749 1.00 0.00 N ATOM 145 CA LEU A 10 -4.997 0.229 -5.218 1.00 0.00 C ATOM 146 C LEU A 10 -4.747 1.001 -3.917 1.00 0.00 C ATOM 147 O LEU A 10 -4.165 0.475 -2.988 1.00 0.00 O ATOM 148 CB LEU A 10 -3.983 0.657 -6.289 1.00 0.00 C ATOM 149 CG LEU A 10 -3.750 -0.500 -7.256 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.970 0.002 -8.471 1.00 0.00 C ATOM 151 CD2 LEU A 10 -2.950 -1.598 -6.551 1.00 0.00 C ATOM 0 H LEU A 10 -6.380 1.013 -6.664 1.00 0.00 H new ATOM 0 HA LEU A 10 -4.906 -0.836 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.354 1.528 -6.829 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.043 0.949 -5.820 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.709 -0.902 -7.582 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.803 -0.824 -9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.540 0.785 -8.971 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.010 0.403 -8.147 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.782 -2.426 -7.240 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.990 -1.197 -6.225 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.507 -1.955 -5.684 1.00 0.00 H new ATOM 163 N LYS A 11 -5.187 2.243 -3.834 1.00 0.00 N ATOM 164 CA LYS A 11 -4.964 3.024 -2.563 1.00 0.00 C ATOM 165 C LYS A 11 -5.573 2.284 -1.360 1.00 0.00 C ATOM 166 O LYS A 11 -5.087 2.412 -0.251 1.00 0.00 O ATOM 167 CB LYS A 11 -5.650 4.388 -2.750 1.00 0.00 C ATOM 168 CG LYS A 11 -4.928 5.441 -1.908 1.00 0.00 C ATOM 169 CD LYS A 11 -5.857 6.632 -1.671 1.00 0.00 C ATOM 170 CE LYS A 11 -5.248 7.553 -0.611 1.00 0.00 C ATOM 171 NZ LYS A 11 -5.785 7.052 0.686 1.00 0.00 N ATOM 0 H LYS A 11 -5.681 2.741 -4.574 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.899 3.145 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.634 4.674 -3.802 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.697 4.324 -2.453 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.621 5.011 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.022 5.769 -2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.007 7.180 -2.601 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.837 6.283 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.159 7.512 -0.630 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.531 8.592 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.413 7.633 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.823 7.110 0.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.494 6.063 0.823 1.00 0.00 H new ATOM 185 N VAL A 12 -6.617 1.498 -1.558 1.00 0.00 N ATOM 186 CA VAL A 12 -7.209 0.755 -0.394 1.00 0.00 C ATOM 187 C VAL A 12 -6.331 -0.462 -0.084 1.00 0.00 C ATOM 188 O VAL A 12 -5.996 -0.714 1.059 1.00 0.00 O ATOM 189 CB VAL A 12 -8.618 0.315 -0.822 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.268 -0.499 0.298 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.470 1.552 -1.110 1.00 0.00 C ATOM 0 H VAL A 12 -7.074 1.343 -2.457 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.262 1.372 0.503 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.547 -0.299 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.267 -0.809 -0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.662 -1.381 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.339 0.112 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.470 1.242 -1.414 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.537 2.165 -0.211 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.011 2.132 -1.911 1.00 0.00 H new ATOM 201 N ILE A 13 -5.942 -1.208 -1.093 1.00 0.00 N ATOM 202 CA ILE A 13 -5.063 -2.399 -0.836 1.00 0.00 C ATOM 203 C ILE A 13 -3.680 -1.925 -0.354 1.00 0.00 C ATOM 204 O ILE A 13 -3.062 -2.569 0.474 1.00 0.00 O ATOM 205 CB ILE A 13 -4.953 -3.164 -2.168 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.360 -3.602 -2.620 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.064 -4.398 -1.980 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.592 -3.197 -4.079 1.00 0.00 C ATOM 0 H ILE A 13 -6.190 -1.049 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.475 -3.046 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.512 -2.517 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.466 -4.682 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.115 -3.143 -1.982 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.987 -4.938 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.070 -4.085 -1.659 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.501 -5.050 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.589 -3.511 -4.390 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.506 -2.115 -4.174 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.847 -3.677 -4.713 1.00 0.00 H new ATOM 220 N VAL A 14 -3.192 -0.800 -0.846 1.00 0.00 N ATOM 221 CA VAL A 14 -1.851 -0.304 -0.372 1.00 0.00 C ATOM 222 C VAL A 14 -1.961 0.135 1.097 1.00 0.00 C ATOM 223 O VAL A 14 -1.072 -0.121 1.889 1.00 0.00 O ATOM 224 CB VAL A 14 -1.479 0.892 -1.267 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.110 1.438 -0.854 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.433 0.438 -2.732 1.00 0.00 C ATOM 0 H VAL A 14 -3.655 -0.215 -1.542 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.088 -1.080 -0.435 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.227 1.677 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.151 2.285 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.146 1.762 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.642 0.656 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.170 1.284 -3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.686 -0.348 -2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.410 0.055 -3.025 1.00 0.00 H new ATOM 236 N ALA A 15 -3.048 0.783 1.477 1.00 0.00 N ATOM 237 CA ALA A 15 -3.194 1.213 2.914 1.00 0.00 C ATOM 238 C ALA A 15 -3.324 -0.022 3.827 1.00 0.00 C ATOM 239 O ALA A 15 -2.865 -0.008 4.954 1.00 0.00 O ATOM 240 CB ALA A 15 -4.469 2.068 2.996 1.00 0.00 C ATOM 0 H ALA A 15 -3.827 1.029 0.866 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.322 1.779 3.243 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.617 2.404 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.369 2.934 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.327 1.473 2.682 1.00 0.00 H new ATOM 246 N GLU A 16 -3.942 -1.095 3.358 1.00 0.00 N ATOM 247 CA GLU A 16 -4.085 -2.324 4.224 1.00 0.00 C ATOM 248 C GLU A 16 -2.716 -2.755 4.781 1.00 0.00 C ATOM 249 O GLU A 16 -2.621 -3.212 5.906 1.00 0.00 O ATOM 250 CB GLU A 16 -4.653 -3.434 3.324 1.00 0.00 C ATOM 251 CG GLU A 16 -5.078 -4.625 4.184 1.00 0.00 C ATOM 252 CD GLU A 16 -5.073 -5.896 3.333 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.209 -6.011 2.480 1.00 0.00 O ATOM 254 OE2 GLU A 16 -5.934 -6.733 3.549 1.00 0.00 O ATOM 0 H GLU A 16 -4.348 -1.172 2.425 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.739 -2.124 5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.506 -3.057 2.760 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.903 -3.746 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.399 -4.738 5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.073 -4.454 4.595 1.00 0.00 H new ATOM 261 N LYS A 17 -1.654 -2.606 4.012 1.00 0.00 N ATOM 262 CA LYS A 17 -0.301 -3.005 4.533 1.00 0.00 C ATOM 263 C LYS A 17 0.321 -1.833 5.304 1.00 0.00 C ATOM 264 O LYS A 17 0.866 -2.019 6.377 1.00 0.00 O ATOM 265 CB LYS A 17 0.563 -3.360 3.313 1.00 0.00 C ATOM 266 CG LYS A 17 0.544 -4.876 3.098 1.00 0.00 C ATOM 267 CD LYS A 17 1.551 -5.541 4.041 1.00 0.00 C ATOM 268 CE LYS A 17 0.829 -6.040 5.295 1.00 0.00 C ATOM 269 NZ LYS A 17 1.591 -7.245 5.722 1.00 0.00 N ATOM 0 H LYS A 17 -1.665 -2.232 3.063 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.373 -3.854 5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.185 -2.851 2.426 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.586 -3.016 3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.456 -5.267 3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.791 -5.110 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.042 -6.373 3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.330 -4.831 4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.822 -5.280 6.076 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.211 -6.286 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.156 -7.645 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.574 -7.954 4.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.576 -6.979 5.926 1.00 0.00 H new ATOM 283 N LEU A 18 0.235 -0.626 4.781 1.00 0.00 N ATOM 284 CA LEU A 18 0.825 0.545 5.523 1.00 0.00 C ATOM 285 C LEU A 18 0.088 0.720 6.856 1.00 0.00 C ATOM 286 O LEU A 18 0.705 0.799 7.903 1.00 0.00 O ATOM 287 CB LEU A 18 0.621 1.783 4.636 1.00 0.00 C ATOM 288 CG LEU A 18 1.436 1.630 3.354 1.00 0.00 C ATOM 289 CD1 LEU A 18 0.829 2.506 2.256 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.878 2.061 3.620 1.00 0.00 C ATOM 0 H LEU A 18 -0.209 -0.403 3.890 1.00 0.00 H new ATOM 0 HA LEU A 18 1.884 0.395 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.436 1.902 4.396 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.929 2.681 5.171 1.00 0.00 H new ATOM 0 HG LEU A 18 1.422 0.589 3.031 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.411 2.397 1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.200 2.197 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.843 3.549 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.464 1.954 2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.893 3.103 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.307 1.435 4.402 1.00 0.00 H new ATOM 302 N ALA A 19 -1.229 0.762 6.833 1.00 0.00 N ATOM 303 CA ALA A 19 -1.991 0.907 8.123 1.00 0.00 C ATOM 304 C ALA A 19 -1.771 -0.334 9.011 1.00 0.00 C ATOM 305 O ALA A 19 -1.850 -0.249 10.222 1.00 0.00 O ATOM 306 CB ALA A 19 -3.479 1.034 7.752 1.00 0.00 C ATOM 0 H ALA A 19 -1.802 0.703 5.991 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.652 1.780 8.680 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.072 1.142 8.660 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.623 1.909 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.797 0.141 7.214 1.00 0.00 H new ATOM 312 N GLY A 20 -1.501 -1.493 8.427 1.00 0.00 N ATOM 313 CA GLY A 20 -1.288 -2.718 9.253 1.00 0.00 C ATOM 314 C GLY A 20 0.108 -2.697 9.898 1.00 0.00 C ATOM 315 O GLY A 20 0.275 -3.159 11.011 1.00 0.00 O ATOM 0 H GLY A 20 -1.422 -1.631 7.420 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.052 -2.779 10.028 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.394 -3.606 8.631 1.00 0.00 H new ATOM 319 N ILE A 21 1.119 -2.175 9.220 1.00 0.00 N ATOM 320 CA ILE A 21 2.501 -2.154 9.840 1.00 0.00 C ATOM 321 C ILE A 21 2.446 -1.492 11.239 1.00 0.00 C ATOM 322 O ILE A 21 1.868 -0.434 11.387 1.00 0.00 O ATOM 323 CB ILE A 21 3.398 -1.344 8.875 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.564 -2.129 7.569 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.782 -1.112 9.493 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.706 -1.161 6.389 1.00 0.00 C ATOM 0 H ILE A 21 1.052 -1.771 8.286 1.00 0.00 H new ATOM 0 HA ILE A 21 2.896 -3.160 9.979 1.00 0.00 H new ATOM 0 HB ILE A 21 2.928 -0.379 8.684 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.442 -2.771 7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.703 -2.780 7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.399 -0.541 8.800 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.676 -0.558 10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.256 -2.073 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.823 -1.728 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.815 -0.537 6.321 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.581 -0.529 6.540 1.00 0.00 H new ATOM 338 N PRO A 22 3.041 -2.136 12.227 1.00 0.00 N ATOM 339 CA PRO A 22 3.032 -1.578 13.608 1.00 0.00 C ATOM 340 C PRO A 22 3.887 -0.298 13.720 1.00 0.00 C ATOM 341 O PRO A 22 3.665 0.508 14.603 1.00 0.00 O ATOM 342 CB PRO A 22 3.622 -2.701 14.457 1.00 0.00 C ATOM 343 CG PRO A 22 4.449 -3.505 13.510 1.00 0.00 C ATOM 344 CD PRO A 22 3.772 -3.416 12.169 1.00 0.00 C ATOM 0 HA PRO A 22 2.032 -1.281 13.923 1.00 0.00 H new ATOM 0 HB2 PRO A 22 4.228 -2.304 15.271 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.838 -3.308 14.910 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.466 -3.117 13.457 1.00 0.00 H new ATOM 0 HG3 PRO A 22 4.520 -4.541 13.841 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.496 -3.426 11.354 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.096 -4.255 12.006 1.00 0.00 H new ATOM 415 N ASP A 27 1.821 9.649 8.413 1.00 0.00 N ATOM 416 CA ASP A 27 2.204 9.572 6.964 1.00 0.00 C ATOM 417 C ASP A 27 1.841 8.195 6.379 1.00 0.00 C ATOM 418 O ASP A 27 2.612 7.612 5.643 1.00 0.00 O ATOM 419 CB ASP A 27 3.720 9.789 6.930 1.00 0.00 C ATOM 420 CG ASP A 27 4.029 11.273 7.135 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.301 12.089 6.594 1.00 0.00 O ATOM 422 OD2 ASP A 27 4.988 11.569 7.829 1.00 0.00 O ATOM 0 HA ASP A 27 1.676 10.315 6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.200 9.196 7.708 1.00 0.00 H new ATOM 0 HB3 ASP A 27 4.125 9.451 5.976 1.00 0.00 H new ATOM 427 N ILE A 28 0.675 7.670 6.700 1.00 0.00 N ATOM 428 CA ILE A 28 0.281 6.329 6.152 1.00 0.00 C ATOM 429 C ILE A 28 -0.662 6.496 4.942 1.00 0.00 C ATOM 430 O ILE A 28 -0.560 5.764 3.977 1.00 0.00 O ATOM 431 CB ILE A 28 -0.380 5.574 7.333 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.466 4.066 7.025 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.781 6.126 7.637 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.407 3.791 5.842 1.00 0.00 C ATOM 0 H ILE A 28 -0.013 8.109 7.312 1.00 0.00 H new ATOM 0 HA ILE A 28 1.133 5.764 5.775 1.00 0.00 H new ATOM 0 HB ILE A 28 0.244 5.726 8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.528 3.682 6.798 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.821 3.532 7.907 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.216 5.574 8.470 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.707 7.181 7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.415 6.014 6.757 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.446 2.719 5.650 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.407 4.154 6.080 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.037 4.305 4.955 1.00 0.00 H new ATOM 446 N LYS A 29 -1.563 7.453 4.970 1.00 0.00 N ATOM 447 CA LYS A 29 -2.473 7.643 3.788 1.00 0.00 C ATOM 448 C LYS A 29 -1.706 8.360 2.668 1.00 0.00 C ATOM 449 O LYS A 29 -1.867 8.042 1.504 1.00 0.00 O ATOM 450 CB LYS A 29 -3.657 8.497 4.267 1.00 0.00 C ATOM 451 CG LYS A 29 -4.567 7.653 5.161 1.00 0.00 C ATOM 452 CD LYS A 29 -5.291 8.561 6.157 1.00 0.00 C ATOM 453 CE LYS A 29 -5.502 7.810 7.474 1.00 0.00 C ATOM 454 NZ LYS A 29 -6.043 8.830 8.415 1.00 0.00 N ATOM 0 H LYS A 29 -1.708 8.101 5.745 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.828 6.690 3.396 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.294 9.365 4.817 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.218 8.873 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.292 7.112 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.979 6.906 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.708 9.465 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.251 8.875 5.747 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.198 6.980 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.567 7.389 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -6.214 8.391 9.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.357 9.604 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.937 9.208 8.041 1.00 0.00 H new ATOM 468 N TYR A 30 -0.856 9.313 3.005 1.00 0.00 N ATOM 469 CA TYR A 30 -0.072 10.017 1.933 1.00 0.00 C ATOM 470 C TYR A 30 1.014 9.088 1.364 1.00 0.00 C ATOM 471 O TYR A 30 1.371 9.202 0.205 1.00 0.00 O ATOM 472 CB TYR A 30 0.572 11.250 2.590 1.00 0.00 C ATOM 473 CG TYR A 30 -0.507 12.229 2.987 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.402 12.712 2.024 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.613 12.653 4.317 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.402 13.621 2.392 1.00 0.00 C ATOM 477 CE2 TYR A 30 -1.613 13.561 4.685 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.507 14.045 3.723 1.00 0.00 C ATOM 479 OH TYR A 30 -3.493 14.939 4.085 1.00 0.00 O ATOM 0 H TYR A 30 -0.675 9.627 3.958 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.720 10.308 1.106 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.146 10.950 3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.269 11.722 1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.321 12.384 0.998 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.077 12.280 5.059 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.092 13.995 1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.695 13.888 5.711 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.427 15.128 5.044 1.00 0.00 H new ATOM 489 N VAL A 31 1.543 8.164 2.151 1.00 0.00 N ATOM 490 CA VAL A 31 2.599 7.246 1.597 1.00 0.00 C ATOM 491 C VAL A 31 1.974 6.222 0.622 1.00 0.00 C ATOM 492 O VAL A 31 2.633 5.771 -0.297 1.00 0.00 O ATOM 493 CB VAL A 31 3.297 6.571 2.810 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.468 5.401 3.363 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.685 6.064 2.385 1.00 0.00 C ATOM 0 H VAL A 31 1.294 8.011 3.128 1.00 0.00 H new ATOM 0 HA VAL A 31 3.339 7.794 1.014 1.00 0.00 H new ATOM 0 HB VAL A 31 3.394 7.315 3.600 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.989 4.955 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.494 5.767 3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.333 4.651 2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.175 5.590 3.235 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.576 5.339 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.289 6.903 2.039 1.00 0.00 H new ATOM 505 N ALA A 32 0.710 5.865 0.789 1.00 0.00 N ATOM 506 CA ALA A 32 0.085 4.888 -0.173 1.00 0.00 C ATOM 507 C ALA A 32 -0.112 5.564 -1.539 1.00 0.00 C ATOM 508 O ALA A 32 0.057 4.938 -2.569 1.00 0.00 O ATOM 509 CB ALA A 32 -1.272 4.480 0.423 1.00 0.00 C ATOM 0 H ALA A 32 0.099 6.201 1.533 1.00 0.00 H new ATOM 0 HA ALA A 32 0.719 4.013 -0.319 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.763 3.770 -0.243 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.117 4.017 1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.900 5.364 0.537 1.00 0.00 H new ATOM 515 N GLU A 33 -0.455 6.841 -1.564 1.00 0.00 N ATOM 516 CA GLU A 33 -0.643 7.536 -2.891 1.00 0.00 C ATOM 517 C GLU A 33 0.662 7.460 -3.696 1.00 0.00 C ATOM 518 O GLU A 33 0.651 7.131 -4.868 1.00 0.00 O ATOM 519 CB GLU A 33 -0.995 9.001 -2.586 1.00 0.00 C ATOM 520 CG GLU A 33 -2.513 9.144 -2.455 1.00 0.00 C ATOM 521 CD GLU A 33 -2.836 10.250 -1.449 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.659 10.017 -0.264 1.00 0.00 O ATOM 523 OE2 GLU A 33 -3.257 11.311 -1.880 1.00 0.00 O ATOM 0 H GLU A 33 -0.610 7.422 -0.740 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.433 7.066 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.508 9.319 -1.664 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.625 9.648 -3.381 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.952 9.380 -3.424 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.951 8.201 -2.128 1.00 0.00 H new ATOM 530 N TYR A 34 1.787 7.733 -3.070 1.00 0.00 N ATOM 531 CA TYR A 34 3.093 7.639 -3.816 1.00 0.00 C ATOM 532 C TYR A 34 3.320 6.179 -4.232 1.00 0.00 C ATOM 533 O TYR A 34 3.759 5.905 -5.334 1.00 0.00 O ATOM 534 CB TYR A 34 4.196 8.112 -2.848 1.00 0.00 C ATOM 535 CG TYR A 34 5.585 7.982 -3.465 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.773 7.950 -4.862 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.696 7.909 -2.617 1.00 0.00 C ATOM 538 CE1 TYR A 34 7.065 7.843 -5.393 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.985 7.807 -3.151 1.00 0.00 C ATOM 540 CZ TYR A 34 8.171 7.773 -4.537 1.00 0.00 C ATOM 541 OH TYR A 34 9.443 7.674 -5.060 1.00 0.00 O ATOM 0 H TYR A 34 1.860 8.012 -2.092 1.00 0.00 H new ATOM 0 HA TYR A 34 3.097 8.254 -4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 34 4.017 9.151 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 34 4.150 7.526 -1.930 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.921 8.008 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.558 7.932 -1.546 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.208 7.814 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.839 7.754 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 34 10.097 7.669 -4.330 1.00 0.00 H new ATOM 551 N ILE A 35 2.999 5.234 -3.368 1.00 0.00 N ATOM 552 CA ILE A 35 3.175 3.785 -3.743 1.00 0.00 C ATOM 553 C ILE A 35 2.289 3.486 -4.963 1.00 0.00 C ATOM 554 O ILE A 35 2.743 2.922 -5.941 1.00 0.00 O ATOM 555 CB ILE A 35 2.736 2.964 -2.511 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.728 3.208 -1.369 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.708 1.470 -2.838 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.092 2.793 -0.043 1.00 0.00 C ATOM 0 H ILE A 35 2.628 5.400 -2.432 1.00 0.00 H new ATOM 0 HA ILE A 35 4.203 3.538 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 35 1.734 3.278 -2.219 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.642 2.639 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.009 4.261 -1.336 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.396 0.910 -1.956 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.004 1.289 -3.651 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.703 1.145 -3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.798 2.967 0.769 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.190 3.381 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.833 1.735 -0.079 1.00 0.00 H new ATOM 570 N VAL A 36 1.036 3.890 -4.923 1.00 0.00 N ATOM 571 CA VAL A 36 0.140 3.653 -6.111 1.00 0.00 C ATOM 572 C VAL A 36 0.698 4.428 -7.316 1.00 0.00 C ATOM 573 O VAL A 36 0.705 3.929 -8.425 1.00 0.00 O ATOM 574 CB VAL A 36 -1.256 4.178 -5.726 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.220 4.019 -6.906 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.783 3.378 -4.531 1.00 0.00 C ATOM 0 H VAL A 36 0.599 4.366 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 36 0.086 2.598 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.183 5.234 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.204 4.393 -6.625 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.847 4.585 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.295 2.965 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.771 3.746 -4.254 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.850 2.324 -4.800 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.103 3.494 -3.687 1.00 0.00 H new ATOM 586 N LEU A 37 1.189 5.638 -7.106 1.00 0.00 N ATOM 587 CA LEU A 37 1.770 6.422 -8.259 1.00 0.00 C ATOM 588 C LEU A 37 2.891 5.598 -8.907 1.00 0.00 C ATOM 589 O LEU A 37 2.964 5.486 -10.116 1.00 0.00 O ATOM 590 CB LEU A 37 2.340 7.724 -7.676 1.00 0.00 C ATOM 591 CG LEU A 37 2.297 8.822 -8.740 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.934 9.516 -8.704 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.397 9.847 -8.456 1.00 0.00 C ATOM 0 H LEU A 37 1.213 6.110 -6.202 1.00 0.00 H new ATOM 0 HA LEU A 37 1.017 6.641 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.763 8.027 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.366 7.567 -7.342 1.00 0.00 H new ATOM 0 HG LEU A 37 2.454 8.381 -9.724 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.904 10.298 -9.462 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.149 8.787 -8.904 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.777 9.958 -7.720 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.368 10.631 -9.213 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.239 10.287 -7.472 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.369 9.354 -8.481 1.00 0.00 H new ATOM 605 N LEU A 38 3.749 4.989 -8.107 1.00 0.00 N ATOM 606 CA LEU A 38 4.838 4.141 -8.703 1.00 0.00 C ATOM 607 C LEU A 38 4.189 2.942 -9.416 1.00 0.00 C ATOM 608 O LEU A 38 4.588 2.564 -10.500 1.00 0.00 O ATOM 609 CB LEU A 38 5.717 3.650 -7.540 1.00 0.00 C ATOM 610 CG LEU A 38 6.413 4.841 -6.881 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.919 4.433 -5.495 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.597 5.281 -7.746 1.00 0.00 C ATOM 0 H LEU A 38 3.741 5.042 -7.088 1.00 0.00 H new ATOM 0 HA LEU A 38 5.438 4.699 -9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.106 3.123 -6.807 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.459 2.940 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 38 5.707 5.666 -6.782 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.415 5.282 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.077 4.118 -4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.625 3.609 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.094 6.130 -7.277 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.303 4.456 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.238 5.571 -8.734 1.00 0.00 H new ATOM 624 N ILE A 39 3.174 2.353 -8.813 1.00 0.00 N ATOM 625 CA ILE A 39 2.480 1.183 -9.464 1.00 0.00 C ATOM 626 C ILE A 39 1.870 1.639 -10.799 1.00 0.00 C ATOM 627 O ILE A 39 2.015 0.974 -11.809 1.00 0.00 O ATOM 628 CB ILE A 39 1.376 0.740 -8.472 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.031 0.151 -7.206 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.443 -0.299 -9.113 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.717 -1.183 -7.521 1.00 0.00 C ATOM 0 H ILE A 39 2.798 2.629 -7.906 1.00 0.00 H new ATOM 0 HA ILE A 39 3.161 0.359 -9.677 1.00 0.00 H new ATOM 0 HB ILE A 39 0.778 1.611 -8.205 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.761 0.855 -6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.275 0.004 -6.435 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.323 -0.593 -8.395 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.032 0.133 -9.994 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.021 -1.175 -9.406 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.172 -1.581 -6.614 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.979 -1.892 -7.898 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.488 -1.026 -8.276 1.00 0.00 H new ATOM 643 N VAL A 40 1.201 2.770 -10.816 1.00 0.00 N ATOM 644 CA VAL A 40 0.597 3.259 -12.108 1.00 0.00 C ATOM 645 C VAL A 40 1.712 3.501 -13.140 1.00 0.00 C ATOM 646 O VAL A 40 1.544 3.227 -14.313 1.00 0.00 O ATOM 647 CB VAL A 40 -0.140 4.574 -11.789 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.768 5.142 -13.067 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.245 4.306 -10.757 1.00 0.00 C ATOM 0 H VAL A 40 1.046 3.371 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.093 2.527 -12.527 1.00 0.00 H new ATOM 0 HB VAL A 40 0.572 5.294 -11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.288 6.072 -12.835 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.014 5.337 -13.801 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.477 4.422 -13.475 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.766 5.237 -10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.953 3.583 -11.161 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.802 3.908 -9.844 1.00 0.00 H new ATOM 659 N ASN A 41 2.852 4.011 -12.714 1.00 0.00 N ATOM 660 CA ASN A 41 3.972 4.261 -13.693 1.00 0.00 C ATOM 661 C ASN A 41 4.352 2.962 -14.422 1.00 0.00 C ATOM 662 O ASN A 41 4.672 2.984 -15.596 1.00 0.00 O ATOM 663 CB ASN A 41 5.168 4.779 -12.877 1.00 0.00 C ATOM 664 CG ASN A 41 5.064 6.302 -12.723 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.205 7.027 -13.688 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.820 6.825 -11.546 1.00 0.00 N ATOM 0 H ASN A 41 3.054 4.262 -11.746 1.00 0.00 H new ATOM 0 HA ASN A 41 3.669 4.984 -14.450 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.185 4.304 -11.896 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.102 4.516 -13.374 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.749 7.837 -11.442 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.701 6.220 -10.734 1.00 0.00 H new ATOM 673 N GLY A 42 4.326 1.831 -13.743 1.00 0.00 N ATOM 674 CA GLY A 42 4.696 0.548 -14.430 1.00 0.00 C ATOM 675 C GLY A 42 4.461 -0.651 -13.498 1.00 0.00 C ATOM 676 O GLY A 42 3.805 -1.608 -13.868 1.00 0.00 O ATOM 0 H GLY A 42 4.069 1.743 -12.760 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.104 0.431 -15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.742 0.580 -14.734 1.00 0.00 H new ATOM 680 N GLY A 43 4.993 -0.612 -12.294 1.00 0.00 N ATOM 681 CA GLY A 43 4.797 -1.752 -11.353 1.00 0.00 C ATOM 682 C GLY A 43 6.101 -2.555 -11.241 1.00 0.00 C ATOM 683 O GLY A 43 6.105 -3.760 -11.406 1.00 0.00 O ATOM 0 H GLY A 43 5.551 0.160 -11.930 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.501 -1.381 -10.372 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.991 -2.395 -11.707 1.00 0.00 H new ATOM 687 N THR A 44 7.206 -1.902 -10.945 1.00 0.00 N ATOM 688 CA THR A 44 8.500 -2.634 -10.807 1.00 0.00 C ATOM 689 C THR A 44 8.948 -2.577 -9.339 1.00 0.00 C ATOM 690 O THR A 44 9.376 -1.545 -8.863 1.00 0.00 O ATOM 691 CB THR A 44 9.480 -1.890 -11.718 1.00 0.00 C ATOM 692 OG1 THR A 44 9.249 -0.490 -11.613 1.00 0.00 O ATOM 693 CG2 THR A 44 9.265 -2.339 -13.166 1.00 0.00 C ATOM 0 H THR A 44 7.261 -0.895 -10.794 1.00 0.00 H new ATOM 0 HA THR A 44 8.432 -3.686 -11.085 1.00 0.00 H new ATOM 0 HB THR A 44 10.504 -2.112 -11.417 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.876 -0.011 -12.194 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.961 -1.811 -13.818 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.438 -3.412 -13.244 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.242 -2.113 -13.469 1.00 0.00 H new ATOM 701 N VAL A 45 8.820 -3.669 -8.606 1.00 0.00 N ATOM 702 CA VAL A 45 9.210 -3.651 -7.142 1.00 0.00 C ATOM 703 C VAL A 45 10.613 -3.047 -6.946 1.00 0.00 C ATOM 704 O VAL A 45 10.850 -2.343 -5.984 1.00 0.00 O ATOM 705 CB VAL A 45 9.171 -5.115 -6.649 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.613 -5.187 -5.181 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.740 -5.656 -6.759 1.00 0.00 C ATOM 0 H VAL A 45 8.467 -4.562 -8.950 1.00 0.00 H new ATOM 0 HA VAL A 45 8.520 -3.029 -6.572 1.00 0.00 H new ATOM 0 HB VAL A 45 9.845 -5.711 -7.264 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.582 -6.223 -4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.629 -4.805 -5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.941 -4.585 -4.569 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.714 -6.689 -6.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.074 -5.049 -6.146 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.414 -5.615 -7.798 1.00 0.00 H new ATOM 717 N GLU A 46 11.540 -3.304 -7.842 1.00 0.00 N ATOM 718 CA GLU A 46 12.915 -2.715 -7.662 1.00 0.00 C ATOM 719 C GLU A 46 12.838 -1.189 -7.776 1.00 0.00 C ATOM 720 O GLU A 46 13.280 -0.479 -6.891 1.00 0.00 O ATOM 721 CB GLU A 46 13.805 -3.297 -8.771 1.00 0.00 C ATOM 722 CG GLU A 46 14.263 -4.702 -8.375 1.00 0.00 C ATOM 723 CD GLU A 46 14.558 -5.517 -9.636 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.648 -5.379 -10.165 1.00 0.00 O ATOM 725 OE2 GLU A 46 13.689 -6.266 -10.050 1.00 0.00 O ATOM 0 H GLU A 46 11.413 -3.882 -8.673 1.00 0.00 H new ATOM 0 HA GLU A 46 13.326 -2.957 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.255 -3.334 -9.711 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.670 -2.653 -8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.154 -4.643 -7.751 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.491 -5.194 -7.783 1.00 0.00 H new ATOM 732 N SER A 47 12.264 -0.673 -8.843 1.00 0.00 N ATOM 733 CA SER A 47 12.153 0.823 -8.968 1.00 0.00 C ATOM 734 C SER A 47 11.148 1.354 -7.933 1.00 0.00 C ATOM 735 O SER A 47 11.327 2.427 -7.391 1.00 0.00 O ATOM 736 CB SER A 47 11.666 1.120 -10.392 1.00 0.00 C ATOM 737 OG SER A 47 12.275 2.318 -10.856 1.00 0.00 O ATOM 0 H SER A 47 11.875 -1.209 -9.618 1.00 0.00 H new ATOM 0 HA SER A 47 13.111 1.309 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.916 0.291 -11.054 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.581 1.222 -10.404 1.00 0.00 H new ATOM 0 HG SER A 47 11.967 2.510 -11.766 1.00 0.00 H new ATOM 743 N VAL A 48 10.095 0.610 -7.645 1.00 0.00 N ATOM 744 CA VAL A 48 9.097 1.096 -6.628 1.00 0.00 C ATOM 745 C VAL A 48 9.703 1.013 -5.219 1.00 0.00 C ATOM 746 O VAL A 48 9.462 1.878 -4.396 1.00 0.00 O ATOM 747 CB VAL A 48 7.856 0.188 -6.741 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.780 0.666 -5.764 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.303 0.250 -8.170 1.00 0.00 C ATOM 0 H VAL A 48 9.887 -0.297 -8.063 1.00 0.00 H new ATOM 0 HA VAL A 48 8.825 2.136 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 48 8.138 -0.837 -6.502 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.903 0.023 -5.845 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.168 0.624 -4.746 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.501 1.692 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.426 -0.392 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.024 1.276 -8.408 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.066 -0.090 -8.870 1.00 0.00 H new ATOM 759 N VAL A 49 10.505 0.004 -4.930 1.00 0.00 N ATOM 760 CA VAL A 49 11.128 -0.068 -3.561 1.00 0.00 C ATOM 761 C VAL A 49 12.287 0.942 -3.485 1.00 0.00 C ATOM 762 O VAL A 49 12.487 1.579 -2.467 1.00 0.00 O ATOM 763 CB VAL A 49 11.626 -1.516 -3.370 1.00 0.00 C ATOM 764 CG1 VAL A 49 12.424 -1.635 -2.065 1.00 0.00 C ATOM 765 CG2 VAL A 49 10.421 -2.458 -3.300 1.00 0.00 C ATOM 0 H VAL A 49 10.750 -0.755 -5.566 1.00 0.00 H new ATOM 0 HA VAL A 49 10.419 0.183 -2.772 1.00 0.00 H new ATOM 0 HB VAL A 49 12.267 -1.783 -4.210 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.770 -2.661 -1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 49 13.283 -0.965 -2.101 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.787 -1.363 -1.223 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.768 -3.483 -3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.787 -2.176 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.850 -2.387 -4.225 1.00 0.00 H new ATOM 775 N ASP A 50 13.038 1.111 -4.556 1.00 0.00 N ATOM 776 CA ASP A 50 14.166 2.106 -4.523 1.00 0.00 C ATOM 777 C ASP A 50 13.606 3.536 -4.431 1.00 0.00 C ATOM 778 O ASP A 50 14.188 4.385 -3.783 1.00 0.00 O ATOM 779 CB ASP A 50 14.960 1.927 -5.826 1.00 0.00 C ATOM 780 CG ASP A 50 16.422 2.312 -5.591 1.00 0.00 C ATOM 781 OD1 ASP A 50 16.694 3.497 -5.490 1.00 0.00 O ATOM 782 OD2 ASP A 50 17.246 1.414 -5.517 1.00 0.00 O ATOM 0 H ASP A 50 12.921 0.611 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 50 14.805 1.944 -3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.895 0.893 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.532 2.547 -6.613 1.00 0.00 H new ATOM 787 N GLU A 51 12.478 3.813 -5.061 1.00 0.00 N ATOM 788 CA GLU A 51 11.907 5.206 -4.970 1.00 0.00 C ATOM 789 C GLU A 51 11.306 5.417 -3.576 1.00 0.00 C ATOM 790 O GLU A 51 11.492 6.456 -2.971 1.00 0.00 O ATOM 791 CB GLU A 51 10.815 5.335 -6.057 1.00 0.00 C ATOM 792 CG GLU A 51 11.249 6.365 -7.102 1.00 0.00 C ATOM 793 CD GLU A 51 10.705 5.961 -8.474 1.00 0.00 C ATOM 794 OE1 GLU A 51 11.146 4.947 -8.989 1.00 0.00 O ATOM 795 OE2 GLU A 51 9.855 6.672 -8.985 1.00 0.00 O ATOM 0 H GLU A 51 11.940 3.152 -5.621 1.00 0.00 H new ATOM 0 HA GLU A 51 12.679 5.959 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 51 10.645 4.369 -6.533 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.871 5.637 -5.604 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.879 7.353 -6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.337 6.429 -7.135 1.00 0.00 H new ATOM 802 N LEU A 52 10.602 4.436 -3.051 1.00 0.00 N ATOM 803 CA LEU A 52 10.017 4.600 -1.676 1.00 0.00 C ATOM 804 C LEU A 52 11.140 4.580 -0.628 1.00 0.00 C ATOM 805 O LEU A 52 11.061 5.269 0.371 1.00 0.00 O ATOM 806 CB LEU A 52 9.051 3.427 -1.452 1.00 0.00 C ATOM 807 CG LEU A 52 7.803 3.626 -2.312 1.00 0.00 C ATOM 808 CD1 LEU A 52 7.103 2.281 -2.516 1.00 0.00 C ATOM 809 CD2 LEU A 52 6.849 4.596 -1.607 1.00 0.00 C ATOM 0 H LEU A 52 10.410 3.544 -3.506 1.00 0.00 H new ATOM 0 HA LEU A 52 9.490 5.550 -1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.538 2.486 -1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.775 3.365 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 52 8.090 4.036 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.213 2.423 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.782 1.590 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.815 1.870 -1.548 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.958 4.739 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.562 4.185 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.347 5.555 -1.461 1.00 0.00 H new ATOM 821 N ALA A 53 12.193 3.814 -0.846 1.00 0.00 N ATOM 822 CA ALA A 53 13.316 3.796 0.158 1.00 0.00 C ATOM 823 C ALA A 53 14.062 5.139 0.116 1.00 0.00 C ATOM 824 O ALA A 53 14.440 5.670 1.144 1.00 0.00 O ATOM 825 CB ALA A 53 14.255 2.647 -0.240 1.00 0.00 C ATOM 0 H ALA A 53 12.322 3.212 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 53 12.943 3.649 1.171 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.087 2.597 0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.706 1.705 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.639 2.823 -1.245 1.00 0.00 H new ATOM 831 N SER A 54 14.271 5.699 -1.060 1.00 0.00 N ATOM 832 CA SER A 54 14.988 7.024 -1.137 1.00 0.00 C ATOM 833 C SER A 54 14.197 8.102 -0.373 1.00 0.00 C ATOM 834 O SER A 54 14.777 8.984 0.232 1.00 0.00 O ATOM 835 CB SER A 54 15.081 7.394 -2.626 1.00 0.00 C ATOM 836 OG SER A 54 15.878 8.562 -2.770 1.00 0.00 O ATOM 0 H SER A 54 13.982 5.305 -1.955 1.00 0.00 H new ATOM 0 HA SER A 54 15.979 6.957 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.517 6.570 -3.191 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.085 7.567 -3.033 1.00 0.00 H new ATOM 0 HG SER A 54 15.941 8.800 -3.719 1.00 0.00 H new ATOM 842 N LEU A 55 12.880 8.033 -0.383 1.00 0.00 N ATOM 843 CA LEU A 55 12.068 9.057 0.362 1.00 0.00 C ATOM 844 C LEU A 55 11.782 8.549 1.782 1.00 0.00 C ATOM 845 O LEU A 55 11.868 9.293 2.740 1.00 0.00 O ATOM 846 CB LEU A 55 10.761 9.217 -0.428 1.00 0.00 C ATOM 847 CG LEU A 55 10.163 10.600 -0.163 1.00 0.00 C ATOM 848 CD1 LEU A 55 11.038 11.669 -0.821 1.00 0.00 C ATOM 849 CD2 LEU A 55 8.751 10.661 -0.753 1.00 0.00 C ATOM 0 H LEU A 55 12.338 7.319 -0.870 1.00 0.00 H new ATOM 0 HA LEU A 55 12.590 10.010 0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.951 9.091 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.052 8.442 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 55 10.119 10.780 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.612 12.654 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.044 11.623 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.082 11.492 -1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.321 11.645 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 55 8.798 10.483 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.128 9.898 -0.286 1.00 0.00 H new ATOM 861 N PHE A 56 11.456 7.283 1.924 1.00 0.00 N ATOM 862 CA PHE A 56 11.182 6.722 3.280 1.00 0.00 C ATOM 863 C PHE A 56 12.310 5.758 3.671 1.00 0.00 C ATOM 864 O PHE A 56 12.138 4.553 3.646 1.00 0.00 O ATOM 865 CB PHE A 56 9.850 5.972 3.155 1.00 0.00 C ATOM 866 CG PHE A 56 8.761 6.933 2.742 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.522 8.088 3.497 1.00 0.00 C ATOM 868 CD2 PHE A 56 7.991 6.670 1.603 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.512 8.979 3.114 1.00 0.00 C ATOM 870 CE2 PHE A 56 6.982 7.562 1.219 1.00 0.00 C ATOM 871 CZ PHE A 56 6.743 8.715 1.974 1.00 0.00 C ATOM 0 H PHE A 56 11.369 6.617 1.156 1.00 0.00 H new ATOM 0 HA PHE A 56 11.130 7.495 4.047 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.940 5.172 2.420 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.594 5.505 4.106 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.117 8.292 4.375 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.175 5.779 1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.326 9.869 3.697 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.388 7.360 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.965 9.402 1.677 1.00 0.00 H new ATOM 881 N ASP A 57 13.467 6.276 4.037 1.00 0.00 N ATOM 882 CA ASP A 57 14.597 5.370 4.432 1.00 0.00 C ATOM 883 C ASP A 57 14.719 5.272 5.967 1.00 0.00 C ATOM 884 O ASP A 57 15.790 5.015 6.484 1.00 0.00 O ATOM 885 CB ASP A 57 15.862 5.999 3.836 1.00 0.00 C ATOM 886 CG ASP A 57 16.928 4.917 3.642 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.861 4.223 2.642 1.00 0.00 O ATOM 888 OD2 ASP A 57 17.791 4.804 4.497 1.00 0.00 O ATOM 0 H ASP A 57 13.673 7.274 4.078 1.00 0.00 H new ATOM 0 HA ASP A 57 14.435 4.356 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 57 15.631 6.472 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 57 16.238 6.781 4.496 1.00 0.00 H new ATOM 893 N SER A 58 13.638 5.457 6.703 1.00 0.00 N ATOM 894 CA SER A 58 13.725 5.349 8.200 1.00 0.00 C ATOM 895 C SER A 58 13.308 3.941 8.664 1.00 0.00 C ATOM 896 O SER A 58 13.850 3.422 9.622 1.00 0.00 O ATOM 897 CB SER A 58 12.763 6.406 8.758 1.00 0.00 C ATOM 898 OG SER A 58 11.472 6.208 8.197 1.00 0.00 O ATOM 0 H SER A 58 12.712 5.675 6.335 1.00 0.00 H new ATOM 0 HA SER A 58 14.743 5.513 8.552 1.00 0.00 H new ATOM 0 HB2 SER A 58 12.715 6.334 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 58 13.126 7.406 8.521 1.00 0.00 H new ATOM 0 HG SER A 58 10.854 6.881 8.553 1.00 0.00 H new ATOM 904 N VAL A 59 12.359 3.313 7.995 1.00 0.00 N ATOM 905 CA VAL A 59 11.934 1.934 8.416 1.00 0.00 C ATOM 906 C VAL A 59 12.702 0.870 7.615 1.00 0.00 C ATOM 907 O VAL A 59 13.191 1.135 6.534 1.00 0.00 O ATOM 908 CB VAL A 59 10.415 1.841 8.157 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.103 1.956 6.657 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.903 0.496 8.672 1.00 0.00 C ATOM 0 H VAL A 59 11.867 3.692 7.186 1.00 0.00 H new ATOM 0 HA VAL A 59 12.153 1.755 9.469 1.00 0.00 H new ATOM 0 HB VAL A 59 9.923 2.663 8.677 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.026 1.887 6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.463 2.915 6.283 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.599 1.148 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.830 0.422 8.493 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.415 -0.312 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.098 0.418 9.741 1.00 0.00 H new ATOM 920 N SER A 60 12.820 -0.332 8.143 1.00 0.00 N ATOM 921 CA SER A 60 13.575 -1.415 7.404 1.00 0.00 C ATOM 922 C SER A 60 13.052 -1.566 5.962 1.00 0.00 C ATOM 923 O SER A 60 11.861 -1.519 5.724 1.00 0.00 O ATOM 924 CB SER A 60 13.345 -2.719 8.181 1.00 0.00 C ATOM 925 OG SER A 60 14.015 -2.645 9.432 1.00 0.00 O ATOM 0 H SER A 60 12.432 -0.612 9.044 1.00 0.00 H new ATOM 0 HA SER A 60 14.634 -1.167 7.341 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.278 -2.880 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.716 -3.568 7.607 1.00 0.00 H new ATOM 0 HG SER A 60 13.869 -3.476 9.931 1.00 0.00 H new ATOM 931 N ARG A 61 13.937 -1.755 4.998 1.00 0.00 N ATOM 932 CA ARG A 61 13.481 -1.915 3.566 1.00 0.00 C ATOM 933 C ARG A 61 12.410 -3.013 3.451 1.00 0.00 C ATOM 934 O ARG A 61 11.507 -2.914 2.640 1.00 0.00 O ATOM 935 CB ARG A 61 14.723 -2.315 2.752 1.00 0.00 C ATOM 936 CG ARG A 61 15.429 -1.055 2.247 1.00 0.00 C ATOM 937 CD ARG A 61 16.480 -0.613 3.269 1.00 0.00 C ATOM 938 NE ARG A 61 17.235 0.479 2.596 1.00 0.00 N ATOM 939 CZ ARG A 61 18.349 0.213 1.970 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.329 -0.372 2.602 1.00 0.00 N ATOM 941 NH2 ARG A 61 18.483 0.533 0.711 1.00 0.00 N ATOM 0 H ARG A 61 14.946 -1.805 5.138 1.00 0.00 H new ATOM 0 HA ARG A 61 13.040 -0.988 3.199 1.00 0.00 H new ATOM 0 HB2 ARG A 61 15.402 -2.903 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.433 -2.944 1.911 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.902 -1.251 1.285 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.703 -0.258 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 61 16.013 -0.261 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.138 -1.438 3.541 1.00 0.00 H new ATOM 0 HE ARG A 61 16.882 1.435 2.624 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.225 -0.622 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.199 -0.580 2.113 1.00 0.00 H new ATOM 0 HH21 ARG A 61 17.717 0.991 0.217 1.00 0.00 H new ATOM 0 HH22 ARG A 61 19.354 0.325 0.222 1.00 0.00 H new ATOM 955 N ASP A 62 12.500 -4.059 4.248 1.00 0.00 N ATOM 956 CA ASP A 62 11.467 -5.158 4.159 1.00 0.00 C ATOM 957 C ASP A 62 10.058 -4.589 4.388 1.00 0.00 C ATOM 958 O ASP A 62 9.113 -4.997 3.738 1.00 0.00 O ATOM 959 CB ASP A 62 11.809 -6.180 5.254 1.00 0.00 C ATOM 960 CG ASP A 62 12.993 -7.037 4.803 1.00 0.00 C ATOM 961 OD1 ASP A 62 13.892 -6.492 4.185 1.00 0.00 O ATOM 962 OD2 ASP A 62 12.980 -8.224 5.082 1.00 0.00 O ATOM 0 H ASP A 62 13.230 -4.201 4.946 1.00 0.00 H new ATOM 0 HA ASP A 62 11.478 -5.621 3.172 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.053 -5.665 6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.945 -6.813 5.458 1.00 0.00 H new ATOM 967 N THR A 63 9.907 -3.650 5.297 1.00 0.00 N ATOM 968 CA THR A 63 8.538 -3.069 5.541 1.00 0.00 C ATOM 969 C THR A 63 8.059 -2.327 4.284 1.00 0.00 C ATOM 970 O THR A 63 6.910 -2.440 3.897 1.00 0.00 O ATOM 971 CB THR A 63 8.669 -2.097 6.730 1.00 0.00 C ATOM 972 OG1 THR A 63 9.095 -2.821 7.878 1.00 0.00 O ATOM 973 CG2 THR A 63 7.317 -1.436 7.015 1.00 0.00 C ATOM 0 H THR A 63 10.656 -3.265 5.872 1.00 0.00 H new ATOM 0 HA THR A 63 7.809 -3.848 5.764 1.00 0.00 H new ATOM 0 HB THR A 63 9.398 -1.324 6.488 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.182 -2.208 8.638 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.417 -0.750 7.856 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.989 -0.884 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.581 -2.203 7.257 1.00 0.00 H new ATOM 981 N LEU A 64 8.928 -1.582 3.636 1.00 0.00 N ATOM 982 CA LEU A 64 8.495 -0.852 2.392 1.00 0.00 C ATOM 983 C LEU A 64 8.174 -1.878 1.300 1.00 0.00 C ATOM 984 O LEU A 64 7.161 -1.784 0.633 1.00 0.00 O ATOM 985 CB LEU A 64 9.672 0.037 1.953 1.00 0.00 C ATOM 986 CG LEU A 64 10.006 1.056 3.059 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.437 0.831 3.555 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.887 2.479 2.504 1.00 0.00 C ATOM 0 H LEU A 64 9.902 -1.448 3.907 1.00 0.00 H new ATOM 0 HA LEU A 64 7.608 -0.245 2.573 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.545 -0.580 1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.419 0.560 1.030 1.00 0.00 H new ATOM 0 HG LEU A 64 9.307 0.924 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.669 1.554 4.337 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.529 -0.179 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.133 0.957 2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.124 3.197 3.289 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.583 2.605 1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.869 2.649 2.153 1.00 0.00 H new ATOM 1000 N ALA A 65 9.025 -2.866 1.122 1.00 0.00 N ATOM 1001 CA ALA A 65 8.747 -3.911 0.070 1.00 0.00 C ATOM 1002 C ALA A 65 7.406 -4.608 0.362 1.00 0.00 C ATOM 1003 O ALA A 65 6.670 -4.940 -0.548 1.00 0.00 O ATOM 1004 CB ALA A 65 9.897 -4.928 0.138 1.00 0.00 C ATOM 0 H ALA A 65 9.888 -2.996 1.649 1.00 0.00 H new ATOM 0 HA ALA A 65 8.682 -3.462 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.739 -5.707 -0.608 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.842 -4.422 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.927 -5.377 1.131 1.00 0.00 H new ATOM 1010 N ASN A 66 7.081 -4.834 1.621 1.00 0.00 N ATOM 1011 CA ASN A 66 5.774 -5.514 1.944 1.00 0.00 C ATOM 1012 C ASN A 66 4.600 -4.685 1.401 1.00 0.00 C ATOM 1013 O ASN A 66 3.650 -5.232 0.871 1.00 0.00 O ATOM 1014 CB ASN A 66 5.689 -5.614 3.475 1.00 0.00 C ATOM 1015 CG ASN A 66 6.537 -6.796 3.959 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.610 -7.035 3.441 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.103 -7.556 4.937 1.00 0.00 N ATOM 0 H ASN A 66 7.653 -4.582 2.427 1.00 0.00 H new ATOM 0 HA ASN A 66 5.724 -6.502 1.486 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.042 -4.689 3.930 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.652 -5.746 3.784 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.666 -8.343 5.259 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.203 -7.359 5.375 1.00 0.00 H new ATOM 1024 N VAL A 67 4.651 -3.371 1.519 1.00 0.00 N ATOM 1025 CA VAL A 67 3.516 -2.536 0.985 1.00 0.00 C ATOM 1026 C VAL A 67 3.531 -2.568 -0.552 1.00 0.00 C ATOM 1027 O VAL A 67 2.489 -2.637 -1.180 1.00 0.00 O ATOM 1028 CB VAL A 67 3.727 -1.106 1.509 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.604 -0.201 1.001 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.710 -1.122 3.040 1.00 0.00 C ATOM 0 H VAL A 67 5.413 -2.850 1.953 1.00 0.00 H new ATOM 0 HA VAL A 67 2.549 -2.918 1.312 1.00 0.00 H new ATOM 0 HB VAL A 67 4.686 -0.727 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.756 0.812 1.374 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.610 -0.191 -0.089 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.645 -0.578 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.859 -0.110 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.750 -1.501 3.389 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.509 -1.767 3.406 1.00 0.00 H new ATOM 1040 N VAL A 68 4.695 -2.544 -1.170 1.00 0.00 N ATOM 1041 CA VAL A 68 4.731 -2.607 -2.675 1.00 0.00 C ATOM 1042 C VAL A 68 4.243 -3.993 -3.138 1.00 0.00 C ATOM 1043 O VAL A 68 3.606 -4.111 -4.168 1.00 0.00 O ATOM 1044 CB VAL A 68 6.193 -2.383 -3.098 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.293 -2.401 -4.625 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.673 -1.025 -2.577 1.00 0.00 C ATOM 0 H VAL A 68 5.604 -2.485 -0.710 1.00 0.00 H new ATOM 0 HA VAL A 68 4.085 -1.852 -3.124 1.00 0.00 H new ATOM 0 HB VAL A 68 6.815 -3.176 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.329 -2.242 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.951 -3.365 -5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.670 -1.608 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.709 -0.866 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.049 -0.234 -2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.603 -1.007 -1.489 1.00 0.00 H new ATOM 1056 N GLN A 69 4.528 -5.046 -2.387 1.00 0.00 N ATOM 1057 CA GLN A 69 4.058 -6.413 -2.814 1.00 0.00 C ATOM 1058 C GLN A 69 2.525 -6.478 -2.793 1.00 0.00 C ATOM 1059 O GLN A 69 1.917 -6.997 -3.712 1.00 0.00 O ATOM 1060 CB GLN A 69 4.644 -7.420 -1.810 1.00 0.00 C ATOM 1061 CG GLN A 69 6.057 -7.812 -2.247 1.00 0.00 C ATOM 1062 CD GLN A 69 6.552 -8.984 -1.390 1.00 0.00 C ATOM 1063 OE1 GLN A 69 6.264 -10.126 -1.687 1.00 0.00 O ATOM 1064 NE2 GLN A 69 7.289 -8.755 -0.330 1.00 0.00 N ATOM 0 H GLN A 69 5.055 -5.017 -1.514 1.00 0.00 H new ATOM 0 HA GLN A 69 4.385 -6.637 -3.829 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.669 -6.982 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.010 -8.305 -1.754 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.059 -8.092 -3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.730 -6.961 -2.142 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.534 -7.798 -0.076 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.618 -9.534 0.241 1.00 0.00 H new ATOM 1073 N THR A 70 1.888 -5.960 -1.760 1.00 0.00 N ATOM 1074 CA THR A 70 0.380 -6.012 -1.724 1.00 0.00 C ATOM 1075 C THR A 70 -0.217 -5.171 -2.868 1.00 0.00 C ATOM 1076 O THR A 70 -1.275 -5.494 -3.376 1.00 0.00 O ATOM 1077 CB THR A 70 -0.075 -5.487 -0.348 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.491 -5.549 -0.271 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.379 -4.041 -0.144 1.00 0.00 C ATOM 0 H THR A 70 2.333 -5.514 -0.958 1.00 0.00 H new ATOM 0 HA THR A 70 0.029 -7.034 -1.864 1.00 0.00 H new ATOM 0 HB THR A 70 0.372 -6.106 0.430 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.786 -5.218 0.603 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.047 -3.690 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.466 -3.990 -0.198 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.053 -3.411 -0.921 1.00 0.00 H new ATOM 1087 N ALA A 71 0.452 -4.118 -3.305 1.00 0.00 N ATOM 1088 CA ALA A 71 -0.106 -3.312 -4.448 1.00 0.00 C ATOM 1089 C ALA A 71 0.074 -4.101 -5.758 1.00 0.00 C ATOM 1090 O ALA A 71 -0.770 -4.047 -6.634 1.00 0.00 O ATOM 1091 CB ALA A 71 0.682 -1.992 -4.503 1.00 0.00 C ATOM 0 H ALA A 71 1.341 -3.789 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.169 -3.111 -4.313 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.306 -1.378 -5.321 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.560 -1.456 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.739 -2.205 -4.665 1.00 0.00 H new ATOM 1097 N PHE A 72 1.157 -4.851 -5.896 1.00 0.00 N ATOM 1098 CA PHE A 72 1.351 -5.651 -7.157 1.00 0.00 C ATOM 1099 C PHE A 72 0.244 -6.710 -7.247 1.00 0.00 C ATOM 1100 O PHE A 72 -0.364 -6.888 -8.285 1.00 0.00 O ATOM 1101 CB PHE A 72 2.728 -6.332 -7.046 1.00 0.00 C ATOM 1102 CG PHE A 72 3.809 -5.401 -7.549 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.890 -4.087 -7.068 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.733 -5.855 -8.497 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.892 -3.232 -7.535 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.734 -4.997 -8.964 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.813 -3.686 -8.482 1.00 0.00 C ATOM 0 H PHE A 72 1.899 -4.941 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 72 1.305 -5.023 -8.046 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.925 -6.605 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.734 -7.255 -7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.178 -3.735 -6.336 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.673 -6.868 -8.868 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.954 -2.220 -7.164 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.446 -5.347 -9.697 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.587 -3.024 -8.842 1.00 0.00 H new ATOM 1117 N PHE A 73 -0.038 -7.403 -6.158 1.00 0.00 N ATOM 1118 CA PHE A 73 -1.133 -8.437 -6.200 1.00 0.00 C ATOM 1119 C PHE A 73 -2.467 -7.747 -6.523 1.00 0.00 C ATOM 1120 O PHE A 73 -3.259 -8.258 -7.293 1.00 0.00 O ATOM 1121 CB PHE A 73 -1.193 -9.083 -4.805 1.00 0.00 C ATOM 1122 CG PHE A 73 -0.212 -10.228 -4.739 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -0.480 -11.420 -5.422 1.00 0.00 C ATOM 1124 CD2 PHE A 73 0.966 -10.099 -3.994 1.00 0.00 C ATOM 1125 CE1 PHE A 73 0.429 -12.483 -5.360 1.00 0.00 C ATOM 1126 CE2 PHE A 73 1.876 -11.161 -3.933 1.00 0.00 C ATOM 1127 CZ PHE A 73 1.607 -12.353 -4.616 1.00 0.00 C ATOM 0 H PHE A 73 0.433 -7.300 -5.259 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.943 -9.191 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.958 -8.344 -4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -2.202 -9.442 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.389 -11.520 -5.997 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.173 -9.180 -3.466 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.221 -13.403 -5.886 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.785 -11.061 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.309 -13.173 -4.569 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.719 -6.580 -5.955 1.00 0.00 N ATOM 1138 CA ALA A 74 -4.010 -5.864 -6.261 1.00 0.00 C ATOM 1139 C ALA A 74 -4.136 -5.628 -7.775 1.00 0.00 C ATOM 1140 O ALA A 74 -5.217 -5.714 -8.328 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.962 -4.518 -5.519 1.00 0.00 C ATOM 0 H ALA A 74 -2.097 -6.100 -5.304 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.869 -6.455 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.880 -3.963 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.864 -4.696 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.108 -3.939 -5.870 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.040 -5.339 -8.458 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.128 -5.111 -9.950 1.00 0.00 C ATOM 1149 C LEU A 75 -3.778 -6.327 -10.629 1.00 0.00 C ATOM 1150 O LEU A 75 -4.585 -6.179 -11.527 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.686 -4.920 -10.477 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.436 -3.447 -10.833 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.439 -2.983 -11.895 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.582 -2.583 -9.578 1.00 0.00 C ATOM 0 H LEU A 75 -2.106 -5.252 -8.057 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.736 -4.233 -10.169 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.970 -5.245 -9.722 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.528 -5.545 -11.356 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.426 -3.345 -11.230 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.252 -1.937 -12.140 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.326 -3.591 -12.792 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.453 -3.090 -11.509 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.404 -1.538 -9.833 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.589 -2.692 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.857 -2.903 -8.830 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.445 -7.526 -10.198 1.00 0.00 N ATOM 1167 CA GLU A 76 -4.074 -8.741 -10.827 1.00 0.00 C ATOM 1168 C GLU A 76 -5.552 -8.811 -10.426 1.00 0.00 C ATOM 1169 O GLU A 76 -6.405 -9.104 -11.242 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.313 -9.966 -10.297 1.00 0.00 C ATOM 1171 CG GLU A 76 -3.771 -11.216 -11.051 1.00 0.00 C ATOM 1172 CD GLU A 76 -3.283 -12.465 -10.313 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -2.189 -12.422 -9.775 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -4.012 -13.443 -10.299 1.00 0.00 O ATOM 0 H GLU A 76 -2.777 -7.716 -9.451 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.020 -8.703 -11.915 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.240 -9.824 -10.425 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.494 -10.086 -9.229 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.858 -11.228 -11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.378 -11.205 -12.068 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.867 -8.528 -9.178 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.308 -8.565 -8.750 1.00 0.00 C ATOM 1183 C ALA A 77 -8.072 -7.423 -9.432 1.00 0.00 C ATOM 1184 O ALA A 77 -9.195 -7.600 -9.869 1.00 0.00 O ATOM 1185 CB ALA A 77 -7.329 -8.386 -7.224 1.00 0.00 C ATOM 0 H ALA A 77 -5.200 -8.277 -8.448 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.782 -9.506 -9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.359 -8.407 -6.869 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.768 -9.194 -6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.875 -7.430 -6.964 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.473 -6.253 -9.543 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.189 -5.115 -10.223 1.00 0.00 C ATOM 1193 C LEU A 78 -8.422 -5.467 -11.699 1.00 0.00 C ATOM 1194 O LEU A 78 -9.471 -5.181 -12.248 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.286 -3.868 -10.111 1.00 0.00 C ATOM 1196 CG LEU A 78 -7.774 -2.953 -8.976 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -9.202 -2.481 -9.267 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -7.747 -3.714 -7.646 1.00 0.00 C ATOM 0 H LEU A 78 -6.537 -6.039 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.156 -4.927 -9.757 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.256 -4.172 -9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.291 -3.322 -11.054 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.115 -2.088 -8.909 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -9.543 -1.833 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.218 -1.929 -10.207 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.863 -3.345 -9.342 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.094 -3.060 -6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.399 -4.585 -7.712 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -6.729 -4.039 -7.433 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.458 -6.090 -12.353 1.00 0.00 N ATOM 1211 CA GLN A 79 -7.656 -6.455 -13.802 1.00 0.00 C ATOM 1212 C GLN A 79 -8.884 -7.370 -13.968 1.00 0.00 C ATOM 1213 O GLN A 79 -9.559 -7.316 -14.980 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.385 -7.193 -14.252 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.367 -6.181 -14.780 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.060 -6.903 -15.132 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.077 -7.899 -15.826 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -2.918 -6.445 -14.682 1.00 0.00 N ATOM 0 H GLN A 79 -6.558 -6.357 -11.954 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.829 -5.563 -14.404 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.960 -7.750 -13.417 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.629 -7.919 -15.028 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.764 -5.676 -15.661 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.180 -5.413 -14.030 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.898 -5.609 -14.099 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.049 -6.925 -14.915 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.185 -8.207 -12.993 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.381 -9.110 -13.132 1.00 0.00 C ATOM 1229 C GLN A 80 -11.632 -8.430 -12.559 1.00 0.00 C ATOM 1230 O GLN A 80 -12.706 -8.532 -13.123 1.00 0.00 O ATOM 1231 CB GLN A 80 -10.053 -10.384 -12.339 1.00 0.00 C ATOM 1232 CG GLN A 80 -8.897 -11.123 -13.016 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.456 -12.122 -14.039 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.816 -13.227 -13.684 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -9.549 -11.782 -15.302 1.00 0.00 N ATOM 0 H GLN A 80 -8.663 -8.303 -12.122 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.587 -9.338 -14.178 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -9.784 -10.128 -11.314 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.930 -11.029 -12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -8.236 -10.411 -13.511 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.300 -11.647 -12.270 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -9.248 -10.855 -15.604 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.922 -12.444 -15.982 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.508 -7.735 -11.449 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.697 -7.053 -10.857 1.00 0.00 C ATOM 1246 C GLY A 81 -12.862 -7.473 -9.389 1.00 0.00 C ATOM 1247 O GLY A 81 -13.674 -8.324 -9.075 1.00 0.00 O ATOM 0 H GLY A 81 -10.637 -7.614 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.578 -5.972 -10.924 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.593 -7.310 -11.421 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.106 -6.883 -8.486 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.235 -7.254 -7.043 1.00 0.00 C ATOM 1253 C GLU A 82 -12.751 -6.052 -6.237 1.00 0.00 C ATOM 1254 O GLU A 82 -12.989 -4.995 -6.789 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.820 -7.633 -6.599 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.657 -9.154 -6.643 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.341 -9.776 -5.424 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -12.530 -9.558 -5.261 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.663 -10.459 -4.673 1.00 0.00 O ATOM 0 H GLU A 82 -11.410 -6.165 -8.689 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.939 -8.071 -6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.085 -7.160 -7.250 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.635 -7.267 -5.589 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.093 -9.551 -7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.599 -9.417 -6.653 1.00 0.00 H new ATOM 1266 N SER A 83 -12.930 -6.201 -4.939 1.00 0.00 N ATOM 1267 CA SER A 83 -13.431 -5.055 -4.119 1.00 0.00 C ATOM 1268 C SER A 83 -12.358 -4.597 -3.121 1.00 0.00 C ATOM 1269 O SER A 83 -11.763 -5.405 -2.434 1.00 0.00 O ATOM 1270 CB SER A 83 -14.652 -5.592 -3.374 1.00 0.00 C ATOM 1271 OG SER A 83 -15.730 -5.749 -4.287 1.00 0.00 O ATOM 0 H SER A 83 -12.751 -7.061 -4.421 1.00 0.00 H new ATOM 0 HA SER A 83 -13.678 -4.193 -4.739 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.415 -6.547 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.935 -4.907 -2.575 1.00 0.00 H new ATOM 0 HG SER A 83 -16.514 -6.095 -3.811 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.113 -3.306 -3.028 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.081 -2.809 -2.057 1.00 0.00 C ATOM 1279 C ALA A 84 -11.741 -2.357 -0.738 1.00 0.00 C ATOM 1280 O ALA A 84 -11.152 -2.481 0.320 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.387 -1.625 -2.750 1.00 0.00 C ATOM 0 H ALA A 84 -12.578 -2.583 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.370 -3.593 -1.797 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.621 -1.216 -2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -9.925 -1.966 -3.677 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.123 -0.852 -2.974 1.00 0.00 H new ATOM 1287 N GLU A 85 -12.959 -1.836 -0.776 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.625 -1.385 0.505 1.00 0.00 C ATOM 1289 C GLU A 85 -13.633 -2.522 1.540 1.00 0.00 C ATOM 1290 O GLU A 85 -13.460 -2.286 2.721 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.067 -0.997 0.142 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.681 -0.185 1.284 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.434 -1.122 2.230 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -17.580 -1.426 1.945 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -15.850 -1.520 3.225 1.00 0.00 O ATOM 0 H GLU A 85 -13.512 -1.706 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.087 -0.545 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.077 -0.414 -0.779 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.660 -1.893 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.900 0.346 1.827 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.360 0.568 0.885 1.00 0.00 H new ATOM 1302 N ASN A 86 -13.824 -3.752 1.110 1.00 0.00 N ATOM 1303 CA ASN A 86 -13.831 -4.896 2.097 1.00 0.00 C ATOM 1304 C ASN A 86 -12.502 -4.937 2.869 1.00 0.00 C ATOM 1305 O ASN A 86 -12.483 -5.220 4.053 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.010 -6.186 1.281 1.00 0.00 C ATOM 1307 CG ASN A 86 -15.437 -6.243 0.721 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -16.357 -5.736 1.330 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -15.666 -6.840 -0.425 1.00 0.00 N ATOM 0 H ASN A 86 -13.973 -4.014 0.136 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.634 -4.780 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -13.287 -6.217 0.466 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.820 -7.056 1.909 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -16.614 -6.877 -0.801 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.896 -7.267 -0.940 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.391 -4.652 2.218 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.074 -4.674 2.951 1.00 0.00 C ATOM 1318 C ILE A 87 -10.068 -3.583 4.039 1.00 0.00 C ATOM 1319 O ILE A 87 -9.547 -3.792 5.119 1.00 0.00 O ATOM 1320 CB ILE A 87 -8.976 -4.404 1.905 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.001 -5.508 0.841 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.604 -4.390 2.585 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.670 -4.911 -0.528 1.00 0.00 C ATOM 0 H ILE A 87 -11.338 -4.409 1.229 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.906 -5.633 3.441 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.158 -3.437 1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.280 -6.286 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.983 -5.980 0.815 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -6.831 -4.199 1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.581 -3.606 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.422 -5.355 3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.688 -5.698 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.407 -4.149 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.678 -4.460 -0.498 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.645 -2.425 3.774 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.657 -1.342 4.826 1.00 0.00 C ATOM 1337 C VAL A 88 -11.385 -1.839 6.086 1.00 0.00 C ATOM 1338 O VAL A 88 -10.986 -1.524 7.192 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.393 -0.130 4.222 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.444 1.008 5.245 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.643 0.349 2.978 1.00 0.00 C ATOM 0 H VAL A 88 -11.100 -2.185 2.893 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.642 -1.069 5.116 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.408 -0.423 3.954 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.965 1.862 4.813 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.974 0.672 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.429 1.301 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.161 1.206 2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.629 0.639 3.254 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.604 -0.456 2.244 1.00 0.00 H new ATOM 1351 N SER A 89 -12.443 -2.615 5.939 1.00 0.00 N ATOM 1352 CA SER A 89 -13.173 -3.123 7.162 1.00 0.00 C ATOM 1353 C SER A 89 -12.187 -3.865 8.078 1.00 0.00 C ATOM 1354 O SER A 89 -12.216 -3.703 9.284 1.00 0.00 O ATOM 1355 CB SER A 89 -14.261 -4.085 6.663 1.00 0.00 C ATOM 1356 OG SER A 89 -15.078 -3.417 5.711 1.00 0.00 O ATOM 0 H SER A 89 -12.829 -2.915 5.044 1.00 0.00 H new ATOM 0 HA SER A 89 -13.613 -2.304 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.805 -4.966 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.867 -4.432 7.500 1.00 0.00 H new ATOM 0 HG SER A 89 -15.773 -4.029 5.389 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.299 -4.660 7.514 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.299 -5.384 8.376 1.00 0.00 C ATOM 1364 C LYS A 90 -9.310 -4.377 8.986 1.00 0.00 C ATOM 1365 O LYS A 90 -8.868 -4.549 10.108 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.557 -6.375 7.464 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.161 -7.614 8.271 1.00 0.00 C ATOM 1368 CD LYS A 90 -8.935 -8.792 7.320 1.00 0.00 C ATOM 1369 CE LYS A 90 -10.237 -9.581 7.168 1.00 0.00 C ATOM 1370 NZ LYS A 90 -9.828 -10.886 6.579 1.00 0.00 N ATOM 0 H LYS A 90 -11.223 -4.837 6.512 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.791 -5.908 9.196 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.193 -6.661 6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -8.669 -5.903 7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.254 -7.415 8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.943 -7.858 8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -8.601 -8.430 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -8.148 -9.439 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.730 -9.719 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.942 -9.059 6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.668 -11.484 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.368 -10.723 5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.162 -11.363 7.220 1.00 0.00 H new ATOM 1384 N ILE A 91 -8.964 -3.321 8.272 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.011 -2.314 8.853 1.00 0.00 C ATOM 1386 C ILE A 91 -8.727 -1.497 9.938 1.00 0.00 C ATOM 1387 O ILE A 91 -8.156 -1.204 10.970 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.558 -1.403 7.693 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -6.863 -2.239 6.606 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.585 -0.343 8.215 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.668 -2.996 7.200 1.00 0.00 C ATOM 0 H ILE A 91 -9.295 -3.117 7.329 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.150 -2.797 9.314 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.435 -0.915 7.267 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.571 -2.946 6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.526 -1.590 5.798 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.268 0.297 7.392 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.079 0.262 8.976 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.713 -0.832 8.650 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.185 -3.584 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.954 -2.283 7.611 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.015 -3.660 7.992 1.00 0.00 H new ATOM 1403 N ARG A 92 -9.976 -1.137 9.722 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.709 -0.347 10.772 1.00 0.00 C ATOM 1405 C ARG A 92 -10.956 -1.222 12.009 1.00 0.00 C ATOM 1406 O ARG A 92 -10.869 -0.749 13.127 1.00 0.00 O ATOM 1407 CB ARG A 92 -12.045 0.094 10.152 1.00 0.00 C ATOM 1408 CG ARG A 92 -12.446 1.457 10.719 1.00 0.00 C ATOM 1409 CD ARG A 92 -11.913 2.566 9.809 1.00 0.00 C ATOM 1410 NE ARG A 92 -12.866 2.615 8.665 1.00 0.00 N ATOM 1411 CZ ARG A 92 -13.493 3.725 8.385 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -12.817 4.784 8.033 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -14.794 3.776 8.456 1.00 0.00 N ATOM 0 H ARG A 92 -10.511 -1.351 8.880 1.00 0.00 H new ATOM 0 HA ARG A 92 -10.128 0.519 11.088 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -11.953 0.152 9.067 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.819 -0.643 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -13.531 1.526 10.796 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -12.047 1.575 11.726 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.874 3.522 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.900 2.347 9.470 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.029 1.781 8.101 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.799 4.744 7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -13.306 5.652 7.814 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.323 2.948 8.731 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -15.283 4.644 8.237 1.00 0.00 H new ATOM 1427 N MET A 93 -11.245 -2.496 11.827 1.00 0.00 N ATOM 1428 CA MET A 93 -11.472 -3.378 13.026 1.00 0.00 C ATOM 1429 C MET A 93 -10.127 -3.679 13.698 1.00 0.00 C ATOM 1430 O MET A 93 -10.028 -3.684 14.912 1.00 0.00 O ATOM 1431 CB MET A 93 -12.123 -4.671 12.514 1.00 0.00 C ATOM 1432 CG MET A 93 -13.464 -4.343 11.855 1.00 0.00 C ATOM 1433 SD MET A 93 -14.752 -4.247 13.121 1.00 0.00 S ATOM 1434 CE MET A 93 -15.821 -5.547 12.456 1.00 0.00 C ATOM 0 H MET A 93 -11.332 -2.955 10.920 1.00 0.00 H new ATOM 0 HA MET A 93 -12.115 -2.896 13.762 1.00 0.00 H new ATOM 0 HB2 MET A 93 -11.465 -5.163 11.798 1.00 0.00 H new ATOM 0 HB3 MET A 93 -12.272 -5.367 13.340 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.396 -3.397 11.318 1.00 0.00 H new ATOM 0 HG3 MET A 93 -13.717 -5.108 11.121 1.00 0.00 H new ATOM 0 HE1 MET A 93 -16.697 -5.660 13.095 1.00 0.00 H new ATOM 0 HE2 MET A 93 -16.139 -5.277 11.449 1.00 0.00 H new ATOM 0 HE3 MET A 93 -15.272 -6.488 12.423 1.00 0.00 H new ATOM 1444 N MET A 94 -9.084 -3.909 12.927 1.00 0.00 N ATOM 1445 CA MET A 94 -7.745 -4.183 13.553 1.00 0.00 C ATOM 1446 C MET A 94 -7.156 -2.872 14.092 1.00 0.00 C ATOM 1447 O MET A 94 -6.543 -2.856 15.144 1.00 0.00 O ATOM 1448 CB MET A 94 -6.846 -4.767 12.453 1.00 0.00 C ATOM 1449 CG MET A 94 -5.675 -5.513 13.093 1.00 0.00 C ATOM 1450 SD MET A 94 -5.018 -6.726 11.920 1.00 0.00 S ATOM 1451 CE MET A 94 -3.329 -6.079 11.848 1.00 0.00 C ATOM 0 H MET A 94 -9.101 -3.919 11.907 1.00 0.00 H new ATOM 0 HA MET A 94 -7.828 -4.882 14.385 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.420 -5.444 11.821 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.475 -3.969 11.810 1.00 0.00 H new ATOM 0 HG2 MET A 94 -4.894 -4.808 13.379 1.00 0.00 H new ATOM 0 HG3 MET A 94 -6.003 -6.013 14.004 1.00 0.00 H new ATOM 0 HE1 MET A 94 -2.734 -6.689 11.168 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.349 -5.050 11.490 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.885 -6.108 12.843 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.353 -1.766 13.400 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.809 -0.464 13.919 1.00 0.00 C ATOM 1463 C ASN A 95 -7.654 0.007 15.113 1.00 0.00 C ATOM 1464 O ASN A 95 -7.131 0.580 16.051 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.888 0.548 12.765 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.881 0.157 11.675 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.707 -1.011 11.391 1.00 0.00 O ATOM 1468 ND2 ASN A 95 -5.202 1.085 11.046 1.00 0.00 N ATOM 0 H ASN A 95 -7.857 -1.709 12.515 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.779 -0.570 14.260 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.897 0.569 12.353 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.673 1.552 13.131 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.532 0.825 10.322 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -5.344 2.068 11.280 1.00 0.00 H new