USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 842 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 15 ASN : amide:sc= -3.17! C(o=-3.2!,f=-2.1!) USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0168 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 30:sc= 0.309 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.148 K(o=-0.15,f=-1.5!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.611 K(o=-0.61,f=-1.9) USER MOD Single : A 48 ASN : amide:sc= -2.21! C(o=-2.2!,f=-4.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -39:sc= 0.0174 USER MOD Single : A 77 ASN : amide:sc= -0.373 K(o=-0.37,f=-1.5) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 81 SER OG : rot 180:sc= -0.12 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot -79:sc= -0.512 USER MOD Single : A 95 GLN : amide:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.944 44.609 16.330 1.00 0.00 N ATOM 2 CA GLY A 1 -28.381 43.292 16.573 1.00 0.00 C ATOM 3 C GLY A 1 -26.927 43.395 17.038 1.00 0.00 C ATOM 4 O GLY A 1 -26.164 44.214 16.527 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.524 44.585 15.467 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.537 44.888 17.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.175 45.299 16.211 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.972 42.773 17.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.434 42.696 15.662 1.00 0.00 H new ATOM 8 N SER A 2 -26.586 42.553 18.003 1.00 0.00 N ATOM 9 CA SER A 2 -25.237 42.540 18.542 1.00 0.00 C ATOM 10 C SER A 2 -25.044 41.315 19.439 1.00 0.00 C ATOM 11 O SER A 2 -25.597 41.252 20.537 1.00 0.00 O ATOM 12 CB SER A 2 -24.943 43.822 19.324 1.00 0.00 C ATOM 13 OG SER A 2 -23.624 44.304 19.081 1.00 0.00 O ATOM 0 H SER A 2 -27.221 41.875 18.425 1.00 0.00 H new ATOM 0 HA SER A 2 -24.536 42.487 17.709 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.666 44.589 19.048 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.070 43.634 20.390 1.00 0.00 H new ATOM 0 HG SER A 2 -23.475 45.124 19.596 1.00 0.00 H new ATOM 19 N SER A 3 -24.259 40.373 18.939 1.00 0.00 N ATOM 20 CA SER A 3 -23.987 39.154 19.682 1.00 0.00 C ATOM 21 C SER A 3 -22.561 38.677 19.400 1.00 0.00 C ATOM 22 O SER A 3 -22.167 38.535 18.244 1.00 0.00 O ATOM 23 CB SER A 3 -24.993 38.057 19.328 1.00 0.00 C ATOM 24 OG SER A 3 -25.677 37.568 20.478 1.00 0.00 O ATOM 0 H SER A 3 -23.802 40.429 18.029 1.00 0.00 H new ATOM 0 HA SER A 3 -24.087 39.372 20.745 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.718 38.447 18.614 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.474 37.234 18.838 1.00 0.00 H new ATOM 0 HG SER A 3 -26.311 36.871 20.210 1.00 0.00 H new ATOM 30 N GLY A 4 -21.826 38.442 20.478 1.00 0.00 N ATOM 31 CA GLY A 4 -20.452 37.984 20.361 1.00 0.00 C ATOM 32 C GLY A 4 -20.363 36.466 20.530 1.00 0.00 C ATOM 33 O GLY A 4 -20.753 35.930 21.566 1.00 0.00 O ATOM 0 H GLY A 4 -22.156 38.560 21.436 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -20.052 38.269 19.388 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -19.836 38.474 21.115 1.00 0.00 H new ATOM 37 N SER A 5 -19.848 35.817 19.497 1.00 0.00 N ATOM 38 CA SER A 5 -19.704 34.371 19.518 1.00 0.00 C ATOM 39 C SER A 5 -19.000 33.897 18.245 1.00 0.00 C ATOM 40 O SER A 5 -19.518 34.072 17.143 1.00 0.00 O ATOM 41 CB SER A 5 -21.064 33.684 19.660 1.00 0.00 C ATOM 42 OG SER A 5 -21.977 34.092 18.645 1.00 0.00 O ATOM 0 H SER A 5 -19.525 36.265 18.640 1.00 0.00 H new ATOM 0 HA SER A 5 -19.098 34.100 20.383 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.931 32.603 19.614 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.485 33.912 20.639 1.00 0.00 H new ATOM 0 HG SER A 5 -21.481 34.321 17.831 1.00 0.00 H new ATOM 48 N SER A 6 -17.831 33.305 18.439 1.00 0.00 N ATOM 49 CA SER A 6 -17.051 32.804 17.320 1.00 0.00 C ATOM 50 C SER A 6 -16.878 31.289 17.439 1.00 0.00 C ATOM 51 O SER A 6 -16.841 30.749 18.544 1.00 0.00 O ATOM 52 CB SER A 6 -15.685 33.490 17.250 1.00 0.00 C ATOM 53 OG SER A 6 -15.017 33.225 16.019 1.00 0.00 O ATOM 0 H SER A 6 -17.405 33.161 19.354 1.00 0.00 H new ATOM 0 HA SER A 6 -17.589 33.031 16.400 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.813 34.566 17.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.065 33.149 18.079 1.00 0.00 H new ATOM 0 HG SER A 6 -14.150 33.682 16.012 1.00 0.00 H new ATOM 59 N GLY A 7 -16.778 30.644 16.286 1.00 0.00 N ATOM 60 CA GLY A 7 -16.611 29.201 16.247 1.00 0.00 C ATOM 61 C GLY A 7 -15.977 28.758 14.927 1.00 0.00 C ATOM 62 O GLY A 7 -16.647 28.717 13.896 1.00 0.00 O ATOM 0 H GLY A 7 -16.809 31.094 15.371 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.986 28.881 17.080 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.579 28.716 16.370 1.00 0.00 H new ATOM 66 N ALA A 8 -14.694 28.438 15.001 1.00 0.00 N ATOM 67 CA ALA A 8 -13.963 28.000 13.824 1.00 0.00 C ATOM 68 C ALA A 8 -12.628 27.389 14.257 1.00 0.00 C ATOM 69 O ALA A 8 -11.882 27.998 15.022 1.00 0.00 O ATOM 70 CB ALA A 8 -13.781 29.179 12.867 1.00 0.00 C ATOM 0 H ALA A 8 -14.142 28.473 15.858 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.521 27.231 13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.233 28.850 11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.758 29.558 12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.223 29.970 13.367 1.00 0.00 H new ATOM 76 N ILE A 9 -12.368 26.194 13.748 1.00 0.00 N ATOM 77 CA ILE A 9 -11.136 25.495 14.072 1.00 0.00 C ATOM 78 C ILE A 9 -9.943 26.404 13.769 1.00 0.00 C ATOM 79 O ILE A 9 -10.111 27.490 13.217 1.00 0.00 O ATOM 80 CB ILE A 9 -11.080 24.146 13.351 1.00 0.00 C ATOM 81 CG1 ILE A 9 -11.157 24.332 11.834 1.00 0.00 C ATOM 82 CG2 ILE A 9 -12.167 23.202 13.869 1.00 0.00 C ATOM 83 CD1 ILE A 9 -9.758 24.412 11.220 1.00 0.00 C ATOM 0 H ILE A 9 -12.989 25.692 13.114 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.098 25.264 15.137 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.119 23.681 13.570 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.706 23.502 11.390 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.712 25.241 11.603 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -12.105 22.251 13.340 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.024 23.034 14.936 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.147 23.648 13.700 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.841 24.544 10.141 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.220 25.258 11.649 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.214 23.491 11.432 1.00 0.00 H new ATOM 95 N TYR A 10 -8.766 25.926 14.143 1.00 0.00 N ATOM 96 CA TYR A 10 -7.546 26.682 13.919 1.00 0.00 C ATOM 97 C TYR A 10 -6.430 25.779 13.389 1.00 0.00 C ATOM 98 O TYR A 10 -5.634 25.251 14.163 1.00 0.00 O ATOM 99 CB TYR A 10 -7.133 27.233 15.285 1.00 0.00 C ATOM 100 CG TYR A 10 -5.647 27.580 15.394 1.00 0.00 C ATOM 101 CD1 TYR A 10 -5.132 28.644 14.681 1.00 0.00 C ATOM 102 CD2 TYR A 10 -4.821 26.828 16.204 1.00 0.00 C ATOM 103 CE1 TYR A 10 -3.733 28.969 14.783 1.00 0.00 C ATOM 104 CE2 TYR A 10 -3.422 27.154 16.307 1.00 0.00 C ATOM 105 CZ TYR A 10 -2.947 28.209 15.591 1.00 0.00 C ATOM 106 OH TYR A 10 -1.626 28.517 15.687 1.00 0.00 O ATOM 0 H TYR A 10 -8.631 25.024 14.600 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.713 27.469 13.184 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.720 28.126 15.497 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -7.381 26.499 16.051 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.778 29.233 14.047 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.224 25.995 16.761 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -3.317 29.798 14.230 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.765 26.574 16.938 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.188 27.891 16.300 1.00 0.00 H new ATOM 116 N VAL A 11 -6.409 25.630 12.072 1.00 0.00 N ATOM 117 CA VAL A 11 -5.405 24.799 11.430 1.00 0.00 C ATOM 118 C VAL A 11 -5.623 23.339 11.831 1.00 0.00 C ATOM 119 O VAL A 11 -5.604 23.008 13.015 1.00 0.00 O ATOM 120 CB VAL A 11 -4.004 25.311 11.774 1.00 0.00 C ATOM 121 CG1 VAL A 11 -3.015 24.151 11.908 1.00 0.00 C ATOM 122 CG2 VAL A 11 -3.521 26.327 10.738 1.00 0.00 C ATOM 0 H VAL A 11 -7.071 26.071 11.433 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.500 24.855 10.346 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.059 25.817 12.738 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.027 24.541 12.153 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.346 23.480 12.700 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.966 23.604 10.966 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.523 26.674 11.007 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.489 25.857 9.755 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.206 27.175 10.713 1.00 0.00 H new ATOM 132 N ASP A 12 -5.826 22.505 10.821 1.00 0.00 N ATOM 133 CA ASP A 12 -6.048 21.088 11.054 1.00 0.00 C ATOM 134 C ASP A 12 -5.619 20.299 9.815 1.00 0.00 C ATOM 135 O ASP A 12 -6.345 20.249 8.824 1.00 0.00 O ATOM 136 CB ASP A 12 -7.528 20.798 11.310 1.00 0.00 C ATOM 137 CG ASP A 12 -7.890 20.524 12.771 1.00 0.00 C ATOM 138 OD1 ASP A 12 -7.086 19.836 13.436 1.00 0.00 O ATOM 139 OD2 ASP A 12 -8.963 21.009 13.191 1.00 0.00 O ATOM 0 H ASP A 12 -5.841 22.784 9.840 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.466 20.794 11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.115 21.647 10.959 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.823 19.937 10.711 1.00 0.00 H new ATOM 144 N LEU A 13 -4.440 19.703 9.913 1.00 0.00 N ATOM 145 CA LEU A 13 -3.905 18.918 8.813 1.00 0.00 C ATOM 146 C LEU A 13 -4.988 17.971 8.293 1.00 0.00 C ATOM 147 O LEU A 13 -5.705 17.352 9.078 1.00 0.00 O ATOM 148 CB LEU A 13 -2.618 18.207 9.237 1.00 0.00 C ATOM 149 CG LEU A 13 -1.402 19.105 9.471 1.00 0.00 C ATOM 150 CD1 LEU A 13 -0.331 18.376 10.285 1.00 0.00 C ATOM 151 CD2 LEU A 13 -0.851 19.638 8.147 1.00 0.00 C ATOM 0 H LEU A 13 -3.840 19.748 10.737 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.624 19.567 7.984 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.818 17.653 10.154 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.362 17.474 8.472 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.722 19.967 10.057 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.523 19.036 10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.743 18.087 11.252 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.009 17.485 9.747 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.013 20.273 8.342 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.551 18.802 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.621 20.219 7.640 1.00 0.00 H new ATOM 163 N PRO A 14 -5.077 17.886 6.939 1.00 0.00 N ATOM 164 CA PRO A 14 -6.061 17.025 6.305 1.00 0.00 C ATOM 165 C PRO A 14 -5.648 15.555 6.405 1.00 0.00 C ATOM 166 O PRO A 14 -4.492 15.249 6.694 1.00 0.00 O ATOM 167 CB PRO A 14 -6.152 17.521 4.871 1.00 0.00 C ATOM 168 CG PRO A 14 -4.888 18.330 4.629 1.00 0.00 C ATOM 169 CD PRO A 14 -4.245 18.605 5.978 1.00 0.00 C ATOM 0 HA PRO A 14 -7.036 17.071 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.221 16.687 4.173 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.042 18.134 4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.202 17.782 3.984 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.125 19.265 4.121 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -3.214 18.252 6.005 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.222 19.673 6.195 1.00 0.00 H new ATOM 177 N ASN A 15 -6.616 14.684 6.160 1.00 0.00 N ATOM 178 CA ASN A 15 -6.368 13.254 6.218 1.00 0.00 C ATOM 179 C ASN A 15 -7.392 12.527 5.345 1.00 0.00 C ATOM 180 O ASN A 15 -8.510 13.006 5.165 1.00 0.00 O ATOM 181 CB ASN A 15 -6.508 12.728 7.649 1.00 0.00 C ATOM 182 CG ASN A 15 -6.069 13.784 8.666 1.00 0.00 C ATOM 183 OD1 ASN A 15 -5.015 13.697 9.274 1.00 0.00 O ATOM 184 ND2 ASN A 15 -6.935 14.782 8.817 1.00 0.00 N ATOM 0 H ASN A 15 -7.574 14.941 5.921 1.00 0.00 H new ATOM 0 HA ASN A 15 -5.353 13.074 5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -7.544 12.445 7.837 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.905 11.828 7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.735 15.536 9.474 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -7.800 14.793 8.276 1.00 0.00 H new ATOM 191 N ARG A 16 -6.973 11.382 4.826 1.00 0.00 N ATOM 192 CA ARG A 16 -7.840 10.584 3.976 1.00 0.00 C ATOM 193 C ARG A 16 -7.566 9.093 4.188 1.00 0.00 C ATOM 194 O ARG A 16 -6.411 8.674 4.253 1.00 0.00 O ATOM 195 CB ARG A 16 -7.634 10.929 2.500 1.00 0.00 C ATOM 196 CG ARG A 16 -8.640 10.188 1.618 1.00 0.00 C ATOM 197 CD ARG A 16 -10.055 10.736 1.820 1.00 0.00 C ATOM 198 NE ARG A 16 -10.381 11.704 0.749 1.00 0.00 N ATOM 199 CZ ARG A 16 -11.535 12.379 0.674 1.00 0.00 C ATOM 200 NH1 ARG A 16 -12.481 12.197 1.606 1.00 0.00 N ATOM 201 NH2 ARG A 16 -11.745 13.238 -0.334 1.00 0.00 N ATOM 0 H ARG A 16 -6.044 10.988 4.978 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.871 10.810 4.249 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -7.741 12.004 2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.619 10.667 2.200 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.354 10.288 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.621 9.124 1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.775 9.918 1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.131 11.220 2.794 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.683 11.867 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -12.322 11.544 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.360 12.712 1.548 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -11.026 13.377 -1.044 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.624 13.752 -0.391 1.00 0.00 H new ATOM 215 N GLN A 17 -8.646 8.334 4.289 1.00 0.00 N ATOM 216 CA GLN A 17 -8.537 6.899 4.492 1.00 0.00 C ATOM 217 C GLN A 17 -9.358 6.150 3.441 1.00 0.00 C ATOM 218 O GLN A 17 -10.524 6.471 3.214 1.00 0.00 O ATOM 219 CB GLN A 17 -8.971 6.510 5.906 1.00 0.00 C ATOM 220 CG GLN A 17 -7.961 5.556 6.547 1.00 0.00 C ATOM 221 CD GLN A 17 -8.659 4.569 7.486 1.00 0.00 C ATOM 222 OE1 GLN A 17 -9.780 4.144 7.259 1.00 0.00 O ATOM 223 NE2 GLN A 17 -7.936 4.231 8.549 1.00 0.00 N ATOM 0 H GLN A 17 -9.602 8.685 4.234 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.491 6.615 4.378 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -9.070 7.406 6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.952 6.037 5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.428 5.009 5.769 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.217 6.127 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.004 4.624 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.313 3.578 9.236 1.00 0.00 H new ATOM 232 N LEU A 18 -8.718 5.166 2.826 1.00 0.00 N ATOM 233 CA LEU A 18 -9.375 4.369 1.804 1.00 0.00 C ATOM 234 C LEU A 18 -9.069 2.889 2.043 1.00 0.00 C ATOM 235 O LEU A 18 -8.002 2.546 2.551 1.00 0.00 O ATOM 236 CB LEU A 18 -8.984 4.860 0.409 1.00 0.00 C ATOM 237 CG LEU A 18 -8.987 6.376 0.206 1.00 0.00 C ATOM 238 CD1 LEU A 18 -7.804 6.816 -0.658 1.00 0.00 C ATOM 239 CD2 LEU A 18 -10.324 6.850 -0.369 1.00 0.00 C ATOM 0 H LEU A 18 -7.751 4.903 3.016 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.457 4.486 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.987 4.485 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.666 4.415 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.869 6.851 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.830 7.898 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.872 6.531 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.866 6.333 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.299 7.931 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.497 6.368 -1.331 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.129 6.588 0.318 1.00 0.00 H new ATOM 251 N LYS A 19 -10.024 2.052 1.666 1.00 0.00 N ATOM 252 CA LYS A 19 -9.870 0.617 1.834 1.00 0.00 C ATOM 253 C LYS A 19 -9.735 -0.041 0.459 1.00 0.00 C ATOM 254 O LYS A 19 -10.552 0.197 -0.430 1.00 0.00 O ATOM 255 CB LYS A 19 -11.014 0.050 2.677 1.00 0.00 C ATOM 256 CG LYS A 19 -12.329 0.057 1.893 1.00 0.00 C ATOM 257 CD LYS A 19 -12.690 -1.352 1.417 1.00 0.00 C ATOM 258 CE LYS A 19 -13.851 -1.313 0.421 1.00 0.00 C ATOM 259 NZ LYS A 19 -15.147 -1.389 1.131 1.00 0.00 N ATOM 0 H LYS A 19 -10.907 2.340 1.245 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.957 0.394 2.386 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.775 -0.968 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.126 0.639 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -13.129 0.449 2.521 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.242 0.724 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.821 -1.816 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.961 -1.971 2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -13.804 -0.395 -0.165 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -13.765 -2.143 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.924 -1.361 0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -15.196 -2.277 1.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.234 -0.583 1.782 1.00 0.00 H new ATOM 273 N VAL A 20 -8.698 -0.855 0.327 1.00 0.00 N ATOM 274 CA VAL A 20 -8.446 -1.548 -0.925 1.00 0.00 C ATOM 275 C VAL A 20 -8.989 -2.975 -0.831 1.00 0.00 C ATOM 276 O VAL A 20 -8.443 -3.804 -0.104 1.00 0.00 O ATOM 277 CB VAL A 20 -6.954 -1.497 -1.259 1.00 0.00 C ATOM 278 CG1 VAL A 20 -6.647 -2.305 -2.522 1.00 0.00 C ATOM 279 CG2 VAL A 20 -6.473 -0.052 -1.403 1.00 0.00 C ATOM 0 H VAL A 20 -8.023 -1.050 1.066 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.967 -1.056 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.410 -1.950 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.580 -2.252 -2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.935 -3.345 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -7.207 -1.894 -3.362 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.409 -0.045 -1.640 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.027 0.438 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.640 0.482 -0.467 1.00 0.00 H new ATOM 289 N LYS A 21 -10.057 -3.218 -1.576 1.00 0.00 N ATOM 290 CA LYS A 21 -10.680 -4.531 -1.586 1.00 0.00 C ATOM 291 C LYS A 21 -9.842 -5.482 -2.442 1.00 0.00 C ATOM 292 O LYS A 21 -10.021 -5.552 -3.657 1.00 0.00 O ATOM 293 CB LYS A 21 -12.140 -4.428 -2.031 1.00 0.00 C ATOM 294 CG LYS A 21 -13.090 -4.655 -0.854 1.00 0.00 C ATOM 295 CD LYS A 21 -13.218 -6.145 -0.532 1.00 0.00 C ATOM 296 CE LYS A 21 -14.531 -6.438 0.197 1.00 0.00 C ATOM 297 NZ LYS A 21 -15.558 -6.914 -0.757 1.00 0.00 N ATOM 0 H LYS A 21 -10.507 -2.528 -2.177 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.706 -4.948 -0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.323 -3.445 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.339 -5.164 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -12.723 -4.120 0.022 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.072 -4.245 -1.090 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.172 -6.725 -1.454 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.377 -6.461 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.366 -7.190 0.968 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.883 -5.538 0.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.443 -7.108 -0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.727 -6.184 -1.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.226 -7.785 -1.218 1.00 0.00 H new ATOM 311 N VAL A 22 -8.944 -6.192 -1.774 1.00 0.00 N ATOM 312 CA VAL A 22 -8.077 -7.136 -2.459 1.00 0.00 C ATOM 313 C VAL A 22 -8.852 -8.427 -2.733 1.00 0.00 C ATOM 314 O VAL A 22 -10.064 -8.482 -2.531 1.00 0.00 O ATOM 315 CB VAL A 22 -6.804 -7.366 -1.641 1.00 0.00 C ATOM 316 CG1 VAL A 22 -6.093 -6.042 -1.351 1.00 0.00 C ATOM 317 CG2 VAL A 22 -7.112 -8.118 -0.346 1.00 0.00 C ATOM 0 H VAL A 22 -8.798 -6.132 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.761 -6.735 -3.422 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.131 -7.985 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.192 -6.233 -0.769 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.823 -5.561 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.758 -5.388 -0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.190 -8.268 0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.812 -7.537 0.254 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.554 -9.086 -0.583 1.00 0.00 H new ATOM 327 N ALA A 23 -8.120 -9.433 -3.188 1.00 0.00 N ATOM 328 CA ALA A 23 -8.724 -10.720 -3.492 1.00 0.00 C ATOM 329 C ALA A 23 -8.023 -11.811 -2.681 1.00 0.00 C ATOM 330 O ALA A 23 -8.667 -12.544 -1.933 1.00 0.00 O ATOM 331 CB ALA A 23 -8.651 -10.975 -4.999 1.00 0.00 C ATOM 0 H ALA A 23 -7.115 -9.384 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.777 -10.726 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -9.104 -11.940 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.189 -10.188 -5.528 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.608 -10.979 -5.317 1.00 0.00 H new ATOM 337 N ASP A 24 -6.712 -11.885 -2.858 1.00 0.00 N ATOM 338 CA ASP A 24 -5.916 -12.875 -2.152 1.00 0.00 C ATOM 339 C ASP A 24 -4.454 -12.426 -2.128 1.00 0.00 C ATOM 340 O ASP A 24 -3.841 -12.241 -3.179 1.00 0.00 O ATOM 341 CB ASP A 24 -5.982 -14.235 -2.850 1.00 0.00 C ATOM 342 CG ASP A 24 -5.358 -15.393 -2.070 1.00 0.00 C ATOM 343 OD1 ASP A 24 -5.590 -15.442 -0.843 1.00 0.00 O ATOM 344 OD2 ASP A 24 -4.662 -16.205 -2.719 1.00 0.00 O ATOM 0 H ASP A 24 -6.181 -11.276 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.314 -12.969 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.027 -14.473 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.482 -14.156 -3.815 1.00 0.00 H new ATOM 349 N ARG A 25 -3.937 -12.263 -0.919 1.00 0.00 N ATOM 350 CA ARG A 25 -2.559 -11.838 -0.745 1.00 0.00 C ATOM 351 C ARG A 25 -2.179 -11.862 0.737 1.00 0.00 C ATOM 352 O ARG A 25 -2.807 -11.189 1.553 1.00 0.00 O ATOM 353 CB ARG A 25 -2.343 -10.428 -1.298 1.00 0.00 C ATOM 354 CG ARG A 25 -0.890 -9.984 -1.115 1.00 0.00 C ATOM 355 CD ARG A 25 -0.355 -9.321 -2.385 1.00 0.00 C ATOM 356 NE ARG A 25 0.954 -9.908 -2.750 1.00 0.00 N ATOM 357 CZ ARG A 25 1.117 -11.163 -3.191 1.00 0.00 C ATOM 358 NH1 ARG A 25 0.056 -11.970 -3.325 1.00 0.00 N ATOM 359 NH2 ARG A 25 2.342 -11.610 -3.499 1.00 0.00 N ATOM 0 H ARG A 25 -4.448 -12.418 -0.050 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.926 -12.533 -1.297 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.604 -10.405 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.007 -9.729 -0.790 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.822 -9.287 -0.280 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.272 -10.845 -0.862 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.064 -9.456 -3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.250 -8.247 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 25 1.783 -9.321 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.877 -11.629 -3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.181 -12.925 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.150 -10.995 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.467 -12.565 -3.835 1.00 0.00 H new ATOM 373 N ARG A 26 -1.153 -12.643 1.039 1.00 0.00 N ATOM 374 CA ARG A 26 -0.682 -12.763 2.409 1.00 0.00 C ATOM 375 C ARG A 26 0.440 -13.800 2.495 1.00 0.00 C ATOM 376 O ARG A 26 0.263 -14.947 2.089 1.00 0.00 O ATOM 377 CB ARG A 26 -1.818 -13.172 3.348 1.00 0.00 C ATOM 378 CG ARG A 26 -2.048 -12.110 4.425 1.00 0.00 C ATOM 379 CD ARG A 26 -2.633 -12.734 5.694 1.00 0.00 C ATOM 380 NE ARG A 26 -4.099 -12.534 5.727 1.00 0.00 N ATOM 381 CZ ARG A 26 -4.927 -13.184 6.557 1.00 0.00 C ATOM 382 NH1 ARG A 26 -4.438 -14.079 7.427 1.00 0.00 N ATOM 383 NH2 ARG A 26 -6.243 -12.939 6.517 1.00 0.00 N ATOM 0 H ARG A 26 -0.634 -13.199 0.359 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.305 -11.788 2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.734 -13.318 2.775 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.580 -14.126 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.106 -11.615 4.660 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.725 -11.344 4.047 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -2.402 -13.799 5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.176 -12.283 6.575 1.00 0.00 H new ATOM 0 HE ARG A 26 -4.505 -11.860 5.078 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.436 -14.266 7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.068 -14.573 8.058 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.615 -12.258 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.873 -13.433 7.148 1.00 0.00 H new ATOM 397 N VAL A 27 1.571 -13.358 3.027 1.00 0.00 N ATOM 398 CA VAL A 27 2.721 -14.233 3.172 1.00 0.00 C ATOM 399 C VAL A 27 3.200 -14.203 4.625 1.00 0.00 C ATOM 400 O VAL A 27 4.288 -14.686 4.934 1.00 0.00 O ATOM 401 CB VAL A 27 3.811 -13.834 2.175 1.00 0.00 C ATOM 402 CG1 VAL A 27 4.705 -12.733 2.751 1.00 0.00 C ATOM 403 CG2 VAL A 27 4.640 -15.049 1.754 1.00 0.00 C ATOM 0 H VAL A 27 1.715 -12.406 3.363 1.00 0.00 H new ATOM 0 HA VAL A 27 2.449 -15.263 2.941 1.00 0.00 H new ATOM 0 HB VAL A 27 3.322 -13.437 1.285 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.471 -12.468 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 27 4.100 -11.855 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.181 -13.091 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.407 -14.738 1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.113 -15.488 2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.990 -15.788 1.284 1.00 0.00 H new ATOM 413 N ILE A 28 2.364 -13.630 5.478 1.00 0.00 N ATOM 414 CA ILE A 28 2.688 -13.530 6.891 1.00 0.00 C ATOM 415 C ILE A 28 2.269 -14.820 7.598 1.00 0.00 C ATOM 416 O ILE A 28 1.161 -15.314 7.393 1.00 0.00 O ATOM 417 CB ILE A 28 2.067 -12.268 7.495 1.00 0.00 C ATOM 418 CG1 ILE A 28 0.567 -12.201 7.203 1.00 0.00 C ATOM 419 CG2 ILE A 28 2.802 -11.014 7.018 1.00 0.00 C ATOM 420 CD1 ILE A 28 -0.149 -11.305 8.215 1.00 0.00 C ATOM 0 H ILE A 28 1.462 -13.230 5.218 1.00 0.00 H new ATOM 0 HA ILE A 28 3.764 -13.425 7.029 1.00 0.00 H new ATOM 0 HB ILE A 28 2.181 -12.315 8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.406 -11.818 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.142 -13.204 7.235 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.341 -10.131 7.461 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.848 -11.068 7.320 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.741 -10.948 5.932 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.214 -11.275 7.985 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.006 -11.704 9.219 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.262 -10.297 8.163 1.00 0.00 H new ATOM 432 N SER A 29 3.177 -15.330 8.417 1.00 0.00 N ATOM 433 CA SER A 29 2.916 -16.554 9.156 1.00 0.00 C ATOM 434 C SER A 29 3.347 -16.387 10.615 1.00 0.00 C ATOM 435 O SER A 29 2.517 -16.132 11.486 1.00 0.00 O ATOM 436 CB SER A 29 3.637 -17.745 8.522 1.00 0.00 C ATOM 437 OG SER A 29 2.781 -18.490 7.661 1.00 0.00 O ATOM 0 H SER A 29 4.095 -14.918 8.585 1.00 0.00 H new ATOM 0 HA SER A 29 1.845 -16.752 9.121 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.498 -17.389 7.957 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.019 -18.398 9.307 1.00 0.00 H new ATOM 0 HG SER A 29 3.279 -19.241 7.275 1.00 0.00 H new ATOM 443 N THR A 30 4.645 -16.537 10.835 1.00 0.00 N ATOM 444 CA THR A 30 5.197 -16.406 12.173 1.00 0.00 C ATOM 445 C THR A 30 6.505 -15.615 12.135 1.00 0.00 C ATOM 446 O THR A 30 6.671 -14.646 12.875 1.00 0.00 O ATOM 447 CB THR A 30 5.353 -17.811 12.760 1.00 0.00 C ATOM 448 OG1 THR A 30 4.046 -18.140 13.223 1.00 0.00 O ATOM 449 CG2 THR A 30 6.212 -17.824 14.026 1.00 0.00 C ATOM 0 H THR A 30 5.330 -16.748 10.110 1.00 0.00 H new ATOM 0 HA THR A 30 4.530 -15.839 12.822 1.00 0.00 H new ATOM 0 HB THR A 30 5.797 -18.470 12.014 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.055 -19.037 13.618 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.291 -18.844 14.402 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.207 -17.445 13.794 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.751 -17.192 14.785 1.00 0.00 H new ATOM 457 N THR A 31 7.402 -16.056 11.265 1.00 0.00 N ATOM 458 CA THR A 31 8.691 -15.401 11.121 1.00 0.00 C ATOM 459 C THR A 31 9.482 -15.487 12.428 1.00 0.00 C ATOM 460 O THR A 31 10.367 -16.330 12.567 1.00 0.00 O ATOM 461 CB THR A 31 8.442 -13.966 10.655 1.00 0.00 C ATOM 462 OG1 THR A 31 8.084 -14.103 9.282 1.00 0.00 O ATOM 463 CG2 THR A 31 9.723 -13.130 10.624 1.00 0.00 C ATOM 0 H THR A 31 7.261 -16.859 10.652 1.00 0.00 H new ATOM 0 HA THR A 31 9.307 -15.899 10.372 1.00 0.00 H new ATOM 0 HB THR A 31 7.715 -13.492 11.314 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.903 -13.218 8.901 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.490 -12.120 10.286 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.154 -13.088 11.624 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.438 -13.586 9.939 1.00 0.00 H new ATOM 471 N ASP A 32 9.134 -14.604 13.352 1.00 0.00 N ATOM 472 CA ASP A 32 9.801 -14.569 14.643 1.00 0.00 C ATOM 473 C ASP A 32 11.315 -14.510 14.428 1.00 0.00 C ATOM 474 O ASP A 32 11.985 -15.541 14.421 1.00 0.00 O ATOM 475 CB ASP A 32 9.488 -15.825 15.458 1.00 0.00 C ATOM 476 CG ASP A 32 8.415 -15.647 16.534 1.00 0.00 C ATOM 477 OD1 ASP A 32 7.766 -14.579 16.517 1.00 0.00 O ATOM 478 OD2 ASP A 32 8.269 -16.582 17.351 1.00 0.00 O ATOM 0 H ASP A 32 8.399 -13.907 13.233 1.00 0.00 H new ATOM 0 HA ASP A 32 9.446 -13.691 15.183 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.169 -16.613 14.775 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.406 -16.169 15.935 1.00 0.00 H new ATOM 483 N ALA A 33 11.809 -13.292 14.259 1.00 0.00 N ATOM 484 CA ALA A 33 13.231 -13.085 14.046 1.00 0.00 C ATOM 485 C ALA A 33 13.711 -13.996 12.914 1.00 0.00 C ATOM 486 O ALA A 33 14.154 -15.117 13.160 1.00 0.00 O ATOM 487 CB ALA A 33 13.986 -13.333 15.353 1.00 0.00 C ATOM 0 H ALA A 33 11.250 -12.439 14.265 1.00 0.00 H new ATOM 0 HA ALA A 33 13.427 -12.055 13.747 1.00 0.00 H new ATOM 0 HB1 ALA A 33 15.053 -13.177 15.192 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.629 -12.641 16.116 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.815 -14.357 15.683 1.00 0.00 H new ATOM 493 N GLU A 34 13.606 -13.481 11.698 1.00 0.00 N ATOM 494 CA GLU A 34 14.023 -14.235 10.528 1.00 0.00 C ATOM 495 C GLU A 34 14.972 -13.397 9.668 1.00 0.00 C ATOM 496 O GLU A 34 16.103 -13.805 9.408 1.00 0.00 O ATOM 497 CB GLU A 34 12.814 -14.700 9.715 1.00 0.00 C ATOM 498 CG GLU A 34 13.233 -15.687 8.624 1.00 0.00 C ATOM 499 CD GLU A 34 12.051 -16.036 7.716 1.00 0.00 C ATOM 500 OE1 GLU A 34 11.196 -16.823 8.175 1.00 0.00 O ATOM 501 OE2 GLU A 34 12.030 -15.507 6.584 1.00 0.00 O ATOM 0 H GLU A 34 13.238 -12.551 11.498 1.00 0.00 H new ATOM 0 HA GLU A 34 14.556 -15.124 10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.086 -15.171 10.376 1.00 0.00 H new ATOM 0 HB3 GLU A 34 12.323 -13.839 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.038 -15.256 8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.625 -16.595 9.082 1.00 0.00 H new ATOM 508 N ARG A 35 14.477 -12.242 9.250 1.00 0.00 N ATOM 509 CA ARG A 35 15.266 -11.343 8.425 1.00 0.00 C ATOM 510 C ARG A 35 14.639 -9.948 8.410 1.00 0.00 C ATOM 511 O ARG A 35 13.424 -9.811 8.279 1.00 0.00 O ATOM 512 CB ARG A 35 15.372 -11.863 6.990 1.00 0.00 C ATOM 513 CG ARG A 35 16.756 -11.579 6.404 1.00 0.00 C ATOM 514 CD ARG A 35 16.745 -11.716 4.880 1.00 0.00 C ATOM 515 NE ARG A 35 17.773 -12.691 4.453 1.00 0.00 N ATOM 516 CZ ARG A 35 17.597 -14.019 4.458 1.00 0.00 C ATOM 517 NH1 ARG A 35 16.433 -14.539 4.869 1.00 0.00 N ATOM 518 NH2 ARG A 35 18.586 -14.828 4.053 1.00 0.00 N ATOM 0 H ARG A 35 13.538 -11.907 9.467 1.00 0.00 H new ATOM 0 HA ARG A 35 16.266 -11.290 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 35 15.179 -12.936 6.973 1.00 0.00 H new ATOM 0 HB3 ARG A 35 14.608 -11.392 6.372 1.00 0.00 H new ATOM 0 HG2 ARG A 35 17.072 -10.573 6.680 1.00 0.00 H new ATOM 0 HG3 ARG A 35 17.484 -12.270 6.830 1.00 0.00 H new ATOM 0 HD2 ARG A 35 15.761 -12.041 4.543 1.00 0.00 H new ATOM 0 HD3 ARG A 35 16.936 -10.747 4.418 1.00 0.00 H new ATOM 0 HE ARG A 35 18.672 -12.329 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.680 -13.924 5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.299 -15.550 4.873 1.00 0.00 H new ATOM 0 HH21 ARG A 35 19.473 -14.433 3.741 1.00 0.00 H new ATOM 0 HH22 ARG A 35 18.452 -15.839 4.057 1.00 0.00 H new ATOM 532 N GLN A 36 15.497 -8.947 8.545 1.00 0.00 N ATOM 533 CA GLN A 36 15.042 -7.567 8.549 1.00 0.00 C ATOM 534 C GLN A 36 14.839 -7.071 7.116 1.00 0.00 C ATOM 535 O GLN A 36 15.721 -6.430 6.546 1.00 0.00 O ATOM 536 CB GLN A 36 16.022 -6.669 9.306 1.00 0.00 C ATOM 537 CG GLN A 36 15.277 -5.619 10.133 1.00 0.00 C ATOM 538 CD GLN A 36 14.755 -4.489 9.242 1.00 0.00 C ATOM 539 OE1 GLN A 36 15.474 -3.581 8.861 1.00 0.00 O ATOM 540 NE2 GLN A 36 13.466 -4.597 8.933 1.00 0.00 N ATOM 0 H GLN A 36 16.505 -9.064 8.652 1.00 0.00 H new ATOM 0 HA GLN A 36 14.084 -7.522 9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 36 16.646 -7.277 9.961 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.688 -6.175 8.599 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.444 -6.088 10.658 1.00 0.00 H new ATOM 0 HG3 GLN A 36 15.943 -5.210 10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 36 12.921 -5.384 9.286 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.022 -3.893 8.343 1.00 0.00 H new ATOM 549 N ALA A 37 13.673 -7.388 6.574 1.00 0.00 N ATOM 550 CA ALA A 37 13.343 -6.983 5.218 1.00 0.00 C ATOM 551 C ALA A 37 11.822 -6.974 5.048 1.00 0.00 C ATOM 552 O ALA A 37 11.141 -7.905 5.475 1.00 0.00 O ATOM 553 CB ALA A 37 14.035 -7.917 4.223 1.00 0.00 C ATOM 0 H ALA A 37 12.945 -7.921 7.049 1.00 0.00 H new ATOM 0 HA ALA A 37 13.703 -5.973 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.787 -7.613 3.206 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.114 -7.864 4.365 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.697 -8.940 4.388 1.00 0.00 H new ATOM 559 N VAL A 38 11.335 -5.912 4.424 1.00 0.00 N ATOM 560 CA VAL A 38 9.907 -5.769 4.193 1.00 0.00 C ATOM 561 C VAL A 38 9.619 -5.923 2.698 1.00 0.00 C ATOM 562 O VAL A 38 10.400 -5.471 1.862 1.00 0.00 O ATOM 563 CB VAL A 38 9.415 -4.437 4.763 1.00 0.00 C ATOM 564 CG1 VAL A 38 10.033 -3.257 4.009 1.00 0.00 C ATOM 565 CG2 VAL A 38 7.887 -4.362 4.741 1.00 0.00 C ATOM 0 H VAL A 38 11.903 -5.142 4.071 1.00 0.00 H new ATOM 0 HA VAL A 38 9.356 -6.552 4.713 1.00 0.00 H new ATOM 0 HB VAL A 38 9.738 -4.377 5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.667 -2.322 4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.119 -3.296 4.099 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.754 -3.311 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.564 -3.405 5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.533 -4.455 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.474 -5.173 5.342 1.00 0.00 H new ATOM 575 N THR A 39 8.496 -6.563 2.408 1.00 0.00 N ATOM 576 CA THR A 39 8.095 -6.782 1.029 1.00 0.00 C ATOM 577 C THR A 39 6.688 -6.232 0.788 1.00 0.00 C ATOM 578 O THR A 39 5.897 -6.111 1.722 1.00 0.00 O ATOM 579 CB THR A 39 8.222 -8.277 0.731 1.00 0.00 C ATOM 580 OG1 THR A 39 7.582 -8.907 1.839 1.00 0.00 O ATOM 581 CG2 THR A 39 9.668 -8.769 0.808 1.00 0.00 C ATOM 0 H THR A 39 7.851 -6.937 3.104 1.00 0.00 H new ATOM 0 HA THR A 39 8.743 -6.242 0.339 1.00 0.00 H new ATOM 0 HB THR A 39 7.820 -8.485 -0.261 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.617 -9.880 1.727 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.701 -9.836 0.588 1.00 0.00 H new ATOM 0 HG22 THR A 39 10.275 -8.230 0.081 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.060 -8.593 1.810 1.00 0.00 H new ATOM 589 N PRO A 40 6.411 -5.905 -0.503 1.00 0.00 N ATOM 590 CA PRO A 40 7.405 -6.079 -1.548 1.00 0.00 C ATOM 591 C PRO A 40 8.481 -4.995 -1.468 1.00 0.00 C ATOM 592 O PRO A 40 8.194 -3.856 -1.103 1.00 0.00 O ATOM 593 CB PRO A 40 6.619 -6.040 -2.848 1.00 0.00 C ATOM 594 CG PRO A 40 5.289 -5.384 -2.512 1.00 0.00 C ATOM 595 CD PRO A 40 5.150 -5.362 -0.999 1.00 0.00 C ATOM 0 HA PRO A 40 7.952 -7.017 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 40 7.153 -5.472 -3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.470 -7.044 -3.244 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.250 -4.371 -2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.465 -5.938 -2.963 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.983 -4.350 -0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.303 -5.964 -0.670 1.00 0.00 H new ATOM 603 N PRO A 41 9.731 -5.398 -1.823 1.00 0.00 N ATOM 604 CA PRO A 41 10.852 -4.474 -1.794 1.00 0.00 C ATOM 605 C PRO A 41 10.792 -3.503 -2.975 1.00 0.00 C ATOM 606 O PRO A 41 11.507 -3.674 -3.961 1.00 0.00 O ATOM 607 CB PRO A 41 12.089 -5.356 -1.813 1.00 0.00 C ATOM 608 CG PRO A 41 11.627 -6.713 -2.318 1.00 0.00 C ATOM 609 CD PRO A 41 10.108 -6.739 -2.259 1.00 0.00 C ATOM 0 HA PRO A 41 10.848 -3.835 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.857 -4.938 -2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.525 -5.438 -0.818 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.972 -6.879 -3.338 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.047 -7.511 -1.706 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.678 -6.974 -3.233 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.752 -7.497 -1.561 1.00 0.00 H new ATOM 617 N GLY A 42 9.932 -2.504 -2.836 1.00 0.00 N ATOM 618 CA GLY A 42 9.770 -1.506 -3.879 1.00 0.00 C ATOM 619 C GLY A 42 8.577 -0.594 -3.584 1.00 0.00 C ATOM 620 O GLY A 42 8.712 0.629 -3.581 1.00 0.00 O ATOM 0 H GLY A 42 9.340 -2.365 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 42 10.678 -0.908 -3.960 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.626 -1.999 -4.840 1.00 0.00 H new ATOM 624 N LEU A 43 7.437 -1.224 -3.342 1.00 0.00 N ATOM 625 CA LEU A 43 6.222 -0.484 -3.046 1.00 0.00 C ATOM 626 C LEU A 43 6.539 0.633 -2.050 1.00 0.00 C ATOM 627 O LEU A 43 6.199 1.792 -2.283 1.00 0.00 O ATOM 628 CB LEU A 43 5.119 -1.433 -2.574 1.00 0.00 C ATOM 629 CG LEU A 43 3.694 -0.875 -2.605 1.00 0.00 C ATOM 630 CD1 LEU A 43 3.362 -0.298 -3.983 1.00 0.00 C ATOM 631 CD2 LEU A 43 2.680 -1.935 -2.168 1.00 0.00 C ATOM 0 H LEU A 43 7.329 -2.238 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 43 5.837 -0.007 -3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.150 -2.330 -3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.345 -1.741 -1.553 1.00 0.00 H new ATOM 0 HG LEU A 43 3.632 -0.056 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.344 0.092 -3.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.058 0.507 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.447 -1.082 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.676 -1.512 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.735 -2.790 -2.841 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.906 -2.258 -1.152 1.00 0.00 H new ATOM 643 N GLN A 44 7.187 0.246 -0.962 1.00 0.00 N ATOM 644 CA GLN A 44 7.555 1.201 0.070 1.00 0.00 C ATOM 645 C GLN A 44 8.513 2.251 -0.495 1.00 0.00 C ATOM 646 O GLN A 44 8.482 3.410 -0.084 1.00 0.00 O ATOM 647 CB GLN A 44 8.169 0.492 1.279 1.00 0.00 C ATOM 648 CG GLN A 44 9.263 -0.484 0.845 1.00 0.00 C ATOM 649 CD GLN A 44 10.416 -0.499 1.851 1.00 0.00 C ATOM 650 OE1 GLN A 44 10.223 -0.489 3.055 1.00 0.00 O ATOM 651 NE2 GLN A 44 11.622 -0.524 1.291 1.00 0.00 N ATOM 0 H GLN A 44 7.467 -0.716 -0.772 1.00 0.00 H new ATOM 0 HA GLN A 44 6.651 1.708 0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 44 8.586 1.230 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 44 7.392 -0.045 1.823 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.845 -1.486 0.751 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.638 -0.202 -0.139 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.712 -0.531 0.275 1.00 0.00 H new ATOM 0 HE22 GLN A 44 12.456 -0.536 1.877 1.00 0.00 H new ATOM 660 N GLU A 45 9.341 1.808 -1.430 1.00 0.00 N ATOM 661 CA GLU A 45 10.307 2.695 -2.056 1.00 0.00 C ATOM 662 C GLU A 45 9.592 3.712 -2.948 1.00 0.00 C ATOM 663 O GLU A 45 9.699 4.918 -2.729 1.00 0.00 O ATOM 664 CB GLU A 45 11.345 1.902 -2.851 1.00 0.00 C ATOM 665 CG GLU A 45 12.643 1.745 -2.056 1.00 0.00 C ATOM 666 CD GLU A 45 13.411 0.499 -2.500 1.00 0.00 C ATOM 667 OE1 GLU A 45 14.147 0.614 -3.504 1.00 0.00 O ATOM 668 OE2 GLU A 45 13.246 -0.540 -1.826 1.00 0.00 O ATOM 0 H GLU A 45 9.363 0.846 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 45 10.836 3.237 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.945 0.919 -3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.551 2.409 -3.794 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.266 2.629 -2.193 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.416 1.677 -0.992 1.00 0.00 H new ATOM 675 N ALA A 46 8.880 3.189 -3.935 1.00 0.00 N ATOM 676 CA ALA A 46 8.148 4.036 -4.861 1.00 0.00 C ATOM 677 C ALA A 46 7.369 5.091 -4.073 1.00 0.00 C ATOM 678 O ALA A 46 7.500 6.286 -4.332 1.00 0.00 O ATOM 679 CB ALA A 46 7.238 3.170 -5.735 1.00 0.00 C ATOM 0 H ALA A 46 8.794 2.188 -4.114 1.00 0.00 H new ATOM 0 HA ALA A 46 8.834 4.561 -5.526 1.00 0.00 H new ATOM 0 HB1 ALA A 46 6.689 3.805 -6.430 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.843 2.457 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.533 2.630 -5.103 1.00 0.00 H new ATOM 685 N ILE A 47 6.574 4.610 -3.128 1.00 0.00 N ATOM 686 CA ILE A 47 5.773 5.497 -2.301 1.00 0.00 C ATOM 687 C ILE A 47 6.699 6.425 -1.512 1.00 0.00 C ATOM 688 O ILE A 47 6.543 7.645 -1.554 1.00 0.00 O ATOM 689 CB ILE A 47 4.816 4.691 -1.422 1.00 0.00 C ATOM 690 CG1 ILE A 47 3.593 4.232 -2.219 1.00 0.00 C ATOM 691 CG2 ILE A 47 4.422 5.481 -0.172 1.00 0.00 C ATOM 692 CD1 ILE A 47 3.109 2.862 -1.741 1.00 0.00 C ATOM 0 H ILE A 47 6.467 3.618 -2.917 1.00 0.00 H new ATOM 0 HA ILE A 47 5.140 6.130 -2.923 1.00 0.00 H new ATOM 0 HB ILE A 47 5.336 3.794 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.791 4.962 -2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.842 4.184 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.741 4.885 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.315 5.715 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.929 6.407 -0.467 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.239 2.560 -2.324 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.905 2.129 -1.871 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.837 2.920 -0.687 1.00 0.00 H new ATOM 704 N ASN A 48 7.642 5.813 -0.811 1.00 0.00 N ATOM 705 CA ASN A 48 8.592 6.569 -0.014 1.00 0.00 C ATOM 706 C ASN A 48 9.075 7.779 -0.816 1.00 0.00 C ATOM 707 O ASN A 48 9.248 8.865 -0.264 1.00 0.00 O ATOM 708 CB ASN A 48 9.813 5.718 0.341 1.00 0.00 C ATOM 709 CG ASN A 48 9.610 4.996 1.674 1.00 0.00 C ATOM 710 OD1 ASN A 48 8.748 5.334 2.468 1.00 0.00 O ATOM 711 ND2 ASN A 48 10.450 3.985 1.875 1.00 0.00 N ATOM 0 H ASN A 48 7.768 4.801 -0.779 1.00 0.00 H new ATOM 0 HA ASN A 48 8.091 6.881 0.903 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.994 4.988 -0.448 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.698 6.352 0.398 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.395 3.440 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.149 3.755 1.169 1.00 0.00 H new ATOM 718 N ASP A 49 9.279 7.551 -2.105 1.00 0.00 N ATOM 719 CA ASP A 49 9.739 8.609 -2.988 1.00 0.00 C ATOM 720 C ASP A 49 8.626 9.644 -3.160 1.00 0.00 C ATOM 721 O ASP A 49 8.873 10.846 -3.084 1.00 0.00 O ATOM 722 CB ASP A 49 10.090 8.058 -4.372 1.00 0.00 C ATOM 723 CG ASP A 49 11.059 8.919 -5.184 1.00 0.00 C ATOM 724 OD1 ASP A 49 11.755 9.742 -4.551 1.00 0.00 O ATOM 725 OD2 ASP A 49 11.081 8.736 -6.420 1.00 0.00 O ATOM 0 H ASP A 49 9.134 6.649 -2.559 1.00 0.00 H new ATOM 0 HA ASP A 49 10.627 9.057 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.523 7.065 -4.252 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.169 7.937 -4.943 1.00 0.00 H new ATOM 730 N LEU A 50 7.422 9.139 -3.389 1.00 0.00 N ATOM 731 CA LEU A 50 6.270 10.004 -3.573 1.00 0.00 C ATOM 732 C LEU A 50 6.000 10.769 -2.276 1.00 0.00 C ATOM 733 O LEU A 50 5.356 11.817 -2.291 1.00 0.00 O ATOM 734 CB LEU A 50 5.069 9.199 -4.072 1.00 0.00 C ATOM 735 CG LEU A 50 4.913 9.098 -5.591 1.00 0.00 C ATOM 736 CD1 LEU A 50 4.107 7.857 -5.979 1.00 0.00 C ATOM 737 CD2 LEU A 50 4.305 10.379 -6.166 1.00 0.00 C ATOM 0 H LEU A 50 7.220 8.141 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 50 6.471 10.746 -4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.139 8.190 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.163 9.645 -3.662 1.00 0.00 H new ATOM 0 HG LEU A 50 5.905 8.987 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.011 7.810 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.619 6.964 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.116 7.912 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.205 10.281 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.323 10.546 -5.724 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.954 11.224 -5.937 1.00 0.00 H new ATOM 749 N VAL A 51 6.507 10.216 -1.184 1.00 0.00 N ATOM 750 CA VAL A 51 6.330 10.834 0.119 1.00 0.00 C ATOM 751 C VAL A 51 7.426 11.879 0.338 1.00 0.00 C ATOM 752 O VAL A 51 7.246 12.820 1.109 1.00 0.00 O ATOM 753 CB VAL A 51 6.302 9.759 1.208 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.316 10.390 2.602 1.00 0.00 C ATOM 755 CG2 VAL A 51 5.095 8.835 1.037 1.00 0.00 C ATOM 0 H VAL A 51 7.040 9.347 -1.175 1.00 0.00 H new ATOM 0 HA VAL A 51 5.373 11.353 0.168 1.00 0.00 H new ATOM 0 HB VAL A 51 7.203 9.155 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.296 9.604 3.357 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.221 10.986 2.723 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.442 11.030 2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.100 8.081 1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.177 9.420 1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.147 8.345 0.065 1.00 0.00 H new ATOM 765 N LYS A 52 8.537 11.677 -0.355 1.00 0.00 N ATOM 766 CA LYS A 52 9.662 12.590 -0.246 1.00 0.00 C ATOM 767 C LYS A 52 9.502 13.715 -1.271 1.00 0.00 C ATOM 768 O LYS A 52 9.999 14.821 -1.068 1.00 0.00 O ATOM 769 CB LYS A 52 10.984 11.830 -0.370 1.00 0.00 C ATOM 770 CG LYS A 52 11.310 11.083 0.925 1.00 0.00 C ATOM 771 CD LYS A 52 12.775 11.281 1.317 1.00 0.00 C ATOM 772 CE LYS A 52 13.450 9.940 1.614 1.00 0.00 C ATOM 773 NZ LYS A 52 14.652 10.139 2.454 1.00 0.00 N ATOM 0 H LYS A 52 8.682 10.895 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 52 9.680 13.055 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.925 11.123 -1.197 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.788 12.528 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.664 11.439 1.727 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.104 10.020 0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.305 11.788 0.511 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.836 11.925 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.749 9.278 2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.729 9.452 0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.098 9.219 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.327 10.753 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.378 10.585 3.353 1.00 0.00 H new ATOM 787 N LYS A 53 8.805 13.393 -2.351 1.00 0.00 N ATOM 788 CA LYS A 53 8.572 14.362 -3.408 1.00 0.00 C ATOM 789 C LYS A 53 7.545 15.392 -2.934 1.00 0.00 C ATOM 790 O LYS A 53 7.641 16.571 -3.270 1.00 0.00 O ATOM 791 CB LYS A 53 8.179 13.655 -4.707 1.00 0.00 C ATOM 792 CG LYS A 53 9.415 13.126 -5.438 1.00 0.00 C ATOM 793 CD LYS A 53 9.431 13.592 -6.896 1.00 0.00 C ATOM 794 CE LYS A 53 8.140 13.192 -7.614 1.00 0.00 C ATOM 795 NZ LYS A 53 7.772 14.210 -8.624 1.00 0.00 N ATOM 0 H LYS A 53 8.394 12.474 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 53 9.489 14.906 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.502 12.830 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.638 14.347 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.317 13.471 -4.932 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.426 12.037 -5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.552 14.675 -6.934 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.288 13.157 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.270 12.223 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.333 13.082 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.894 13.923 -9.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.628 15.127 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.536 14.296 -9.325 1.00 0.00 H new ATOM 809 N TYR A 54 6.584 14.908 -2.160 1.00 0.00 N ATOM 810 CA TYR A 54 5.539 15.772 -1.636 1.00 0.00 C ATOM 811 C TYR A 54 6.011 16.500 -0.375 1.00 0.00 C ATOM 812 O TYR A 54 7.064 16.179 0.174 1.00 0.00 O ATOM 813 CB TYR A 54 4.373 14.850 -1.272 1.00 0.00 C ATOM 814 CG TYR A 54 3.505 14.445 -2.465 1.00 0.00 C ATOM 815 CD1 TYR A 54 4.096 14.009 -3.633 1.00 0.00 C ATOM 816 CD2 TYR A 54 2.130 14.517 -2.373 1.00 0.00 C ATOM 817 CE1 TYR A 54 3.279 13.628 -4.755 1.00 0.00 C ATOM 818 CE2 TYR A 54 1.312 14.136 -3.496 1.00 0.00 C ATOM 819 CZ TYR A 54 1.927 13.710 -4.631 1.00 0.00 C ATOM 820 OH TYR A 54 1.155 13.350 -5.692 1.00 0.00 O ATOM 0 H TYR A 54 6.507 13.929 -1.883 1.00 0.00 H new ATOM 0 HA TYR A 54 5.261 16.528 -2.371 1.00 0.00 H new ATOM 0 HB2 TYR A 54 4.768 13.950 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.746 15.348 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.172 13.954 -3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.667 14.859 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.729 13.285 -5.675 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.235 14.188 -3.437 1.00 0.00 H new ATOM 0 HH TYR A 54 0.209 13.458 -5.460 1.00 0.00 H new ATOM 830 N THR A 55 5.208 17.466 0.047 1.00 0.00 N ATOM 831 CA THR A 55 5.530 18.241 1.232 1.00 0.00 C ATOM 832 C THR A 55 4.657 17.803 2.410 1.00 0.00 C ATOM 833 O THR A 55 3.432 17.902 2.350 1.00 0.00 O ATOM 834 CB THR A 55 5.380 19.723 0.883 1.00 0.00 C ATOM 835 OG1 THR A 55 6.710 20.150 0.600 1.00 0.00 O ATOM 836 CG2 THR A 55 4.965 20.570 2.088 1.00 0.00 C ATOM 0 H THR A 55 4.335 17.729 -0.411 1.00 0.00 H new ATOM 0 HA THR A 55 6.559 18.069 1.549 1.00 0.00 H new ATOM 0 HB THR A 55 4.642 19.835 0.089 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.705 21.101 0.362 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.873 21.613 1.785 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.007 20.217 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.720 20.485 2.870 1.00 0.00 H new ATOM 844 N LEU A 56 5.321 17.328 3.453 1.00 0.00 N ATOM 845 CA LEU A 56 4.621 16.875 4.643 1.00 0.00 C ATOM 846 C LEU A 56 3.688 15.721 4.271 1.00 0.00 C ATOM 847 O LEU A 56 2.534 15.690 4.696 1.00 0.00 O ATOM 848 CB LEU A 56 3.910 18.045 5.325 1.00 0.00 C ATOM 849 CG LEU A 56 4.737 18.827 6.349 1.00 0.00 C ATOM 850 CD1 LEU A 56 4.030 20.123 6.749 1.00 0.00 C ATOM 851 CD2 LEU A 56 5.070 17.958 7.563 1.00 0.00 C ATOM 0 H LEU A 56 6.337 17.247 3.499 1.00 0.00 H new ATOM 0 HA LEU A 56 5.328 16.491 5.378 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.572 18.738 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.019 17.663 5.823 1.00 0.00 H new ATOM 0 HG LEU A 56 5.682 19.106 5.884 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.638 20.660 7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.886 20.746 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.061 19.888 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.658 18.537 8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.146 17.628 8.039 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.643 17.088 7.242 1.00 0.00 H new ATOM 863 N ALA A 57 4.222 14.800 3.482 1.00 0.00 N ATOM 864 CA ALA A 57 3.451 13.648 3.048 1.00 0.00 C ATOM 865 C ALA A 57 3.796 12.447 3.932 1.00 0.00 C ATOM 866 O ALA A 57 4.923 12.327 4.410 1.00 0.00 O ATOM 867 CB ALA A 57 3.724 13.378 1.567 1.00 0.00 C ATOM 0 H ALA A 57 5.180 14.829 3.132 1.00 0.00 H new ATOM 0 HA ALA A 57 2.383 13.840 3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 57 3.145 12.513 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 57 3.436 14.249 0.979 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.786 13.178 1.423 1.00 0.00 H new ATOM 873 N ARG A 58 2.805 11.589 4.123 1.00 0.00 N ATOM 874 CA ARG A 58 2.989 10.402 4.941 1.00 0.00 C ATOM 875 C ARG A 58 1.840 9.418 4.714 1.00 0.00 C ATOM 876 O ARG A 58 0.673 9.773 4.869 1.00 0.00 O ATOM 877 CB ARG A 58 3.057 10.762 6.426 1.00 0.00 C ATOM 878 CG ARG A 58 4.289 10.140 7.085 1.00 0.00 C ATOM 879 CD ARG A 58 4.213 10.256 8.609 1.00 0.00 C ATOM 880 NE ARG A 58 4.557 11.633 9.030 1.00 0.00 N ATOM 881 CZ ARG A 58 4.393 12.100 10.275 1.00 0.00 C ATOM 882 NH1 ARG A 58 3.891 11.304 11.229 1.00 0.00 N ATOM 883 NH2 ARG A 58 4.733 13.363 10.567 1.00 0.00 N ATOM 0 H ARG A 58 1.871 11.692 3.725 1.00 0.00 H new ATOM 0 HA ARG A 58 3.931 9.940 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.087 11.846 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.156 10.413 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.368 9.091 6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.189 10.637 6.723 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.210 10.002 8.952 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.897 9.544 9.071 1.00 0.00 H new ATOM 0 HE ARG A 58 4.943 12.265 8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.634 10.342 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.766 11.660 12.177 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.117 13.969 9.841 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.608 13.719 11.515 1.00 0.00 H new ATOM 897 N ALA A 59 2.211 8.199 4.350 1.00 0.00 N ATOM 898 CA ALA A 59 1.226 7.160 4.100 1.00 0.00 C ATOM 899 C ALA A 59 1.703 5.849 4.728 1.00 0.00 C ATOM 900 O ALA A 59 2.870 5.722 5.097 1.00 0.00 O ATOM 901 CB ALA A 59 0.990 7.033 2.594 1.00 0.00 C ATOM 0 H ALA A 59 3.180 7.908 4.222 1.00 0.00 H new ATOM 0 HA ALA A 59 0.272 7.417 4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.251 6.254 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.624 7.982 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.926 6.773 2.100 1.00 0.00 H new ATOM 907 N PHE A 60 0.777 4.907 4.830 1.00 0.00 N ATOM 908 CA PHE A 60 1.089 3.611 5.407 1.00 0.00 C ATOM 909 C PHE A 60 0.050 2.565 4.998 1.00 0.00 C ATOM 910 O PHE A 60 -0.901 2.876 4.282 1.00 0.00 O ATOM 911 CB PHE A 60 1.055 3.778 6.927 1.00 0.00 C ATOM 912 CG PHE A 60 2.396 4.191 7.538 1.00 0.00 C ATOM 913 CD1 PHE A 60 3.545 3.594 7.122 1.00 0.00 C ATOM 914 CD2 PHE A 60 2.438 5.154 8.497 1.00 0.00 C ATOM 915 CE1 PHE A 60 4.789 3.978 7.688 1.00 0.00 C ATOM 916 CE2 PHE A 60 3.683 5.537 9.064 1.00 0.00 C ATOM 917 CZ PHE A 60 4.832 4.941 8.647 1.00 0.00 C ATOM 0 H PHE A 60 -0.190 5.016 4.523 1.00 0.00 H new ATOM 0 HA PHE A 60 2.064 3.273 5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 60 0.305 4.526 7.183 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.736 2.839 7.378 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.511 2.828 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.525 5.627 8.828 1.00 0.00 H new ATOM 0 HE1 PHE A 60 5.702 3.505 7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.717 6.301 9.826 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.779 5.233 9.078 1.00 0.00 H new ATOM 927 N VAL A 61 0.266 1.346 5.470 1.00 0.00 N ATOM 928 CA VAL A 61 -0.639 0.252 5.162 1.00 0.00 C ATOM 929 C VAL A 61 -0.555 -0.801 6.268 1.00 0.00 C ATOM 930 O VAL A 61 0.535 -1.135 6.731 1.00 0.00 O ATOM 931 CB VAL A 61 -0.326 -0.312 3.774 1.00 0.00 C ATOM 932 CG1 VAL A 61 -0.996 0.522 2.680 1.00 0.00 C ATOM 933 CG2 VAL A 61 1.184 -0.403 3.548 1.00 0.00 C ATOM 0 H VAL A 61 1.055 1.092 6.064 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.669 0.607 5.129 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.734 -1.322 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.758 0.100 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.076 0.513 2.826 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.632 1.548 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.380 -0.807 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.625 0.591 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.625 -1.058 4.299 1.00 0.00 H new ATOM 943 N ARG A 62 -1.719 -1.296 6.661 1.00 0.00 N ATOM 944 CA ARG A 62 -1.791 -2.305 7.704 1.00 0.00 C ATOM 945 C ARG A 62 -2.986 -3.230 7.467 1.00 0.00 C ATOM 946 O ARG A 62 -4.135 -2.799 7.545 1.00 0.00 O ATOM 947 CB ARG A 62 -1.920 -1.660 9.086 1.00 0.00 C ATOM 948 CG ARG A 62 -3.134 -0.730 9.145 1.00 0.00 C ATOM 949 CD ARG A 62 -4.232 -1.318 10.035 1.00 0.00 C ATOM 950 NE ARG A 62 -4.041 -0.874 11.434 1.00 0.00 N ATOM 951 CZ ARG A 62 -4.205 0.389 11.850 1.00 0.00 C ATOM 952 NH1 ARG A 62 -4.563 1.341 10.978 1.00 0.00 N ATOM 953 NH2 ARG A 62 -4.010 0.700 13.139 1.00 0.00 N ATOM 0 H ARG A 62 -2.621 -1.017 6.275 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.868 -2.883 7.670 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.014 -2.436 9.846 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.015 -1.098 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.832 0.244 9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.523 -0.569 8.139 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.211 -1.002 9.675 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.209 -2.407 9.984 1.00 0.00 H new ATOM 0 HE ARG A 62 -3.767 -1.573 12.124 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.711 1.104 9.997 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.688 2.302 11.295 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.737 -0.025 13.803 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.135 1.661 13.456 1.00 0.00 H new ATOM 967 N PRO A 63 -2.665 -4.519 7.175 1.00 0.00 N ATOM 968 CA PRO A 63 -3.699 -5.509 6.926 1.00 0.00 C ATOM 969 C PRO A 63 -4.374 -5.937 8.230 1.00 0.00 C ATOM 970 O PRO A 63 -4.243 -5.264 9.251 1.00 0.00 O ATOM 971 CB PRO A 63 -2.987 -6.654 6.223 1.00 0.00 C ATOM 972 CG PRO A 63 -1.507 -6.468 6.519 1.00 0.00 C ATOM 973 CD PRO A 63 -1.315 -5.066 7.074 1.00 0.00 C ATOM 0 HA PRO A 63 -4.510 -5.123 6.309 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.341 -7.618 6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.177 -6.632 5.150 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.165 -7.213 7.237 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.916 -6.604 5.613 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.823 -5.089 8.047 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.691 -4.462 6.416 1.00 0.00 H new ATOM 981 N SER A 64 -5.083 -7.054 8.154 1.00 0.00 N ATOM 982 CA SER A 64 -5.779 -7.579 9.316 1.00 0.00 C ATOM 983 C SER A 64 -6.846 -6.585 9.780 1.00 0.00 C ATOM 984 O SER A 64 -6.543 -5.640 10.507 1.00 0.00 O ATOM 985 CB SER A 64 -4.802 -7.880 10.454 1.00 0.00 C ATOM 986 OG SER A 64 -5.466 -8.005 11.709 1.00 0.00 O ATOM 0 H SER A 64 -5.190 -7.610 7.305 1.00 0.00 H new ATOM 0 HA SER A 64 -6.262 -8.514 9.032 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.264 -8.802 10.235 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.060 -7.084 10.514 1.00 0.00 H new ATOM 0 HG SER A 64 -4.808 -8.199 12.409 1.00 0.00 H new ATOM 992 N GLY A 65 -8.071 -6.833 9.342 1.00 0.00 N ATOM 993 CA GLY A 65 -9.184 -5.972 9.704 1.00 0.00 C ATOM 994 C GLY A 65 -10.379 -6.795 10.189 1.00 0.00 C ATOM 995 O GLY A 65 -10.375 -7.300 11.310 1.00 0.00 O ATOM 0 H GLY A 65 -8.318 -7.618 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -8.873 -5.280 10.486 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.477 -5.370 8.844 1.00 0.00 H new ATOM 999 N THR A 66 -11.374 -6.903 9.320 1.00 0.00 N ATOM 1000 CA THR A 66 -12.573 -7.656 9.646 1.00 0.00 C ATOM 1001 C THR A 66 -12.732 -8.844 8.695 1.00 0.00 C ATOM 1002 O THR A 66 -13.602 -9.690 8.892 1.00 0.00 O ATOM 1003 CB THR A 66 -13.760 -6.691 9.616 1.00 0.00 C ATOM 1004 OG1 THR A 66 -14.715 -7.288 10.489 1.00 0.00 O ATOM 1005 CG2 THR A 66 -14.461 -6.667 8.257 1.00 0.00 C ATOM 0 H THR A 66 -11.374 -6.482 8.391 1.00 0.00 H new ATOM 0 HA THR A 66 -12.510 -8.086 10.646 1.00 0.00 H new ATOM 0 HB THR A 66 -13.417 -5.687 9.865 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.707 -8.260 10.367 1.00 0.00 H new ATOM 0 HG21 THR A 66 -15.295 -5.967 8.290 1.00 0.00 H new ATOM 0 HG22 THR A 66 -13.754 -6.353 7.489 1.00 0.00 H new ATOM 0 HG23 THR A 66 -14.834 -7.664 8.022 1.00 0.00 H new ATOM 1013 N GLU A 67 -11.877 -8.869 7.683 1.00 0.00 N ATOM 1014 CA GLU A 67 -11.911 -9.939 6.700 1.00 0.00 C ATOM 1015 C GLU A 67 -10.541 -10.096 6.038 1.00 0.00 C ATOM 1016 O GLU A 67 -9.719 -10.894 6.485 1.00 0.00 O ATOM 1017 CB GLU A 67 -13.000 -9.689 5.655 1.00 0.00 C ATOM 1018 CG GLU A 67 -14.249 -10.521 5.955 1.00 0.00 C ATOM 1019 CD GLU A 67 -14.190 -11.874 5.243 1.00 0.00 C ATOM 1020 OE1 GLU A 67 -13.555 -12.788 5.812 1.00 0.00 O ATOM 1021 OE2 GLU A 67 -14.782 -11.964 4.146 1.00 0.00 O ATOM 0 H GLU A 67 -11.156 -8.165 7.522 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.153 -10.870 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -13.259 -8.630 5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.622 -9.939 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -14.338 -10.675 7.030 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.138 -9.977 5.637 1.00 0.00 H new ATOM 1028 N ASP A 68 -10.337 -9.321 4.983 1.00 0.00 N ATOM 1029 CA ASP A 68 -9.081 -9.363 4.254 1.00 0.00 C ATOM 1030 C ASP A 68 -8.913 -8.067 3.459 1.00 0.00 C ATOM 1031 O ASP A 68 -8.244 -8.049 2.427 1.00 0.00 O ATOM 1032 CB ASP A 68 -9.057 -10.530 3.265 1.00 0.00 C ATOM 1033 CG ASP A 68 -8.433 -11.820 3.802 1.00 0.00 C ATOM 1034 OD1 ASP A 68 -7.249 -11.755 4.199 1.00 0.00 O ATOM 1035 OD2 ASP A 68 -9.153 -12.842 3.803 1.00 0.00 O ATOM 0 H ASP A 68 -11.021 -8.660 4.615 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.276 -9.487 4.978 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.079 -10.742 2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -8.508 -10.221 2.375 1.00 0.00 H new ATOM 1040 N ILE A 69 -9.532 -7.012 3.971 1.00 0.00 N ATOM 1041 CA ILE A 69 -9.459 -5.715 3.322 1.00 0.00 C ATOM 1042 C ILE A 69 -8.199 -4.984 3.791 1.00 0.00 C ATOM 1043 O ILE A 69 -7.769 -5.151 4.931 1.00 0.00 O ATOM 1044 CB ILE A 69 -10.749 -4.926 3.554 1.00 0.00 C ATOM 1045 CG1 ILE A 69 -11.979 -5.783 3.244 1.00 0.00 C ATOM 1046 CG2 ILE A 69 -10.745 -3.620 2.757 1.00 0.00 C ATOM 1047 CD1 ILE A 69 -13.225 -5.222 3.932 1.00 0.00 C ATOM 0 H ILE A 69 -10.086 -7.030 4.827 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.375 -5.835 2.242 1.00 0.00 H new ATOM 0 HB ILE A 69 -10.800 -4.658 4.609 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.139 -5.819 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -11.806 -6.807 3.575 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.673 -3.079 2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -9.900 -3.006 3.069 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.659 -3.843 1.694 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -14.085 -5.849 3.696 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -13.071 -5.210 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -13.409 -4.207 3.580 1.00 0.00 H new ATOM 1059 N VAL A 70 -7.643 -4.190 2.888 1.00 0.00 N ATOM 1060 CA VAL A 70 -6.441 -3.434 3.195 1.00 0.00 C ATOM 1061 C VAL A 70 -6.804 -1.959 3.377 1.00 0.00 C ATOM 1062 O VAL A 70 -7.517 -1.385 2.555 1.00 0.00 O ATOM 1063 CB VAL A 70 -5.388 -3.660 2.108 1.00 0.00 C ATOM 1064 CG1 VAL A 70 -4.141 -2.813 2.368 1.00 0.00 C ATOM 1065 CG2 VAL A 70 -5.029 -5.143 1.993 1.00 0.00 C ATOM 0 H VAL A 70 -8.003 -4.054 1.943 1.00 0.00 H new ATOM 0 HA VAL A 70 -6.002 -3.779 4.131 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.815 -3.344 1.157 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.409 -2.993 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -4.413 -1.758 2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.711 -3.084 3.332 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.279 -5.276 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.631 -5.496 2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -5.922 -5.715 1.739 1.00 0.00 H new ATOM 1075 N ARG A 71 -6.298 -1.387 4.460 1.00 0.00 N ATOM 1076 CA ARG A 71 -6.560 0.010 4.760 1.00 0.00 C ATOM 1077 C ARG A 71 -5.394 0.882 4.290 1.00 0.00 C ATOM 1078 O ARG A 71 -4.233 0.507 4.443 1.00 0.00 O ATOM 1079 CB ARG A 71 -6.773 0.220 6.261 1.00 0.00 C ATOM 1080 CG ARG A 71 -8.207 -0.126 6.665 1.00 0.00 C ATOM 1081 CD ARG A 71 -8.670 0.739 7.840 1.00 0.00 C ATOM 1082 NE ARG A 71 -9.696 0.018 8.625 1.00 0.00 N ATOM 1083 CZ ARG A 71 -11.004 0.017 8.331 1.00 0.00 C ATOM 1084 NH1 ARG A 71 -11.452 0.698 7.268 1.00 0.00 N ATOM 1085 NH2 ARG A 71 -11.863 -0.666 9.101 1.00 0.00 N ATOM 0 H ARG A 71 -5.708 -1.866 5.140 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.469 0.298 4.232 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.074 -0.401 6.821 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -6.558 1.257 6.521 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.874 0.022 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.267 -1.179 6.938 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.821 0.987 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.077 1.680 7.471 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.389 -0.511 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.798 1.217 6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.447 0.697 7.044 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -11.521 -1.185 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -12.858 -0.667 8.878 1.00 0.00 H new ATOM 1099 N VAL A 72 -5.744 2.030 3.728 1.00 0.00 N ATOM 1100 CA VAL A 72 -4.741 2.958 3.235 1.00 0.00 C ATOM 1101 C VAL A 72 -4.957 4.327 3.883 1.00 0.00 C ATOM 1102 O VAL A 72 -6.087 4.804 3.973 1.00 0.00 O ATOM 1103 CB VAL A 72 -4.781 3.008 1.706 1.00 0.00 C ATOM 1104 CG1 VAL A 72 -4.205 4.326 1.185 1.00 0.00 C ATOM 1105 CG2 VAL A 72 -4.045 1.811 1.100 1.00 0.00 C ATOM 0 H VAL A 72 -6.708 2.338 3.603 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.741 2.622 3.510 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.825 2.953 1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.245 4.335 0.096 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.789 5.159 1.577 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.169 4.424 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.088 1.870 0.012 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.004 1.822 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -4.518 0.887 1.432 1.00 0.00 H new ATOM 1115 N TYR A 73 -3.855 4.920 4.319 1.00 0.00 N ATOM 1116 CA TYR A 73 -3.909 6.225 4.956 1.00 0.00 C ATOM 1117 C TYR A 73 -2.863 7.170 4.362 1.00 0.00 C ATOM 1118 O TYR A 73 -1.749 6.751 4.050 1.00 0.00 O ATOM 1119 CB TYR A 73 -3.584 5.987 6.432 1.00 0.00 C ATOM 1120 CG TYR A 73 -3.852 7.195 7.331 1.00 0.00 C ATOM 1121 CD1 TYR A 73 -5.061 7.858 7.255 1.00 0.00 C ATOM 1122 CD2 TYR A 73 -2.886 7.623 8.219 1.00 0.00 C ATOM 1123 CE1 TYR A 73 -5.313 8.995 8.101 1.00 0.00 C ATOM 1124 CE2 TYR A 73 -3.138 8.761 9.065 1.00 0.00 C ATOM 1125 CZ TYR A 73 -4.339 9.390 8.964 1.00 0.00 C ATOM 1126 OH TYR A 73 -4.578 10.465 9.763 1.00 0.00 O ATOM 0 H TYR A 73 -2.919 4.521 4.244 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.888 6.682 4.811 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.172 5.142 6.791 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.535 5.706 6.522 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -5.818 7.523 6.561 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.941 7.104 8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.254 9.522 8.052 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.390 9.107 9.763 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.795 10.633 10.329 1.00 0.00 H new ATOM 1136 N ALA A 74 -3.259 8.426 4.222 1.00 0.00 N ATOM 1137 CA ALA A 74 -2.369 9.434 3.670 1.00 0.00 C ATOM 1138 C ALA A 74 -2.696 10.793 4.294 1.00 0.00 C ATOM 1139 O ALA A 74 -3.789 10.991 4.821 1.00 0.00 O ATOM 1140 CB ALA A 74 -2.495 9.447 2.146 1.00 0.00 C ATOM 0 H ALA A 74 -4.184 8.769 4.481 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.331 9.202 3.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.828 10.203 1.732 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.224 8.468 1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.523 9.679 1.868 1.00 0.00 H new ATOM 1146 N GLU A 75 -1.727 11.693 4.212 1.00 0.00 N ATOM 1147 CA GLU A 75 -1.898 13.028 4.761 1.00 0.00 C ATOM 1148 C GLU A 75 -0.827 13.970 4.209 1.00 0.00 C ATOM 1149 O GLU A 75 0.349 13.614 4.153 1.00 0.00 O ATOM 1150 CB GLU A 75 -1.868 12.999 6.290 1.00 0.00 C ATOM 1151 CG GLU A 75 -0.583 12.344 6.801 1.00 0.00 C ATOM 1152 CD GLU A 75 -0.122 12.987 8.111 1.00 0.00 C ATOM 1153 OE1 GLU A 75 -0.221 14.230 8.198 1.00 0.00 O ATOM 1154 OE2 GLU A 75 0.318 12.222 8.995 1.00 0.00 O ATOM 0 H GLU A 75 -0.821 11.524 3.774 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.875 13.403 4.456 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -1.942 14.015 6.678 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.733 12.451 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.750 11.278 6.954 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.201 12.439 6.050 1.00 0.00 H new ATOM 1161 N ALA A 76 -1.271 15.154 3.816 1.00 0.00 N ATOM 1162 CA ALA A 76 -0.365 16.151 3.270 1.00 0.00 C ATOM 1163 C ALA A 76 -0.731 17.527 3.829 1.00 0.00 C ATOM 1164 O ALA A 76 -1.867 17.751 4.244 1.00 0.00 O ATOM 1165 CB ALA A 76 -0.421 16.109 1.742 1.00 0.00 C ATOM 0 H ALA A 76 -2.247 15.446 3.865 1.00 0.00 H new ATOM 0 HA ALA A 76 0.663 15.938 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.258 16.857 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.124 15.120 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.437 16.321 1.409 1.00 0.00 H new ATOM 1171 N ASN A 77 0.254 18.414 3.823 1.00 0.00 N ATOM 1172 CA ASN A 77 0.050 19.762 4.324 1.00 0.00 C ATOM 1173 C ASN A 77 -1.170 20.378 3.637 1.00 0.00 C ATOM 1174 O ASN A 77 -1.770 21.319 4.155 1.00 0.00 O ATOM 1175 CB ASN A 77 1.259 20.650 4.025 1.00 0.00 C ATOM 1176 CG ASN A 77 1.350 21.807 5.022 1.00 0.00 C ATOM 1177 OD1 ASN A 77 0.492 22.000 5.868 1.00 0.00 O ATOM 1178 ND2 ASN A 77 2.435 22.562 4.877 1.00 0.00 N ATOM 0 H ASN A 77 1.195 18.225 3.479 1.00 0.00 H new ATOM 0 HA ASN A 77 -0.095 19.702 5.403 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.171 20.055 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 77 1.184 21.044 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.588 23.359 5.495 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.114 22.344 4.148 1.00 0.00 H new ATOM 1185 N SER A 78 -1.501 19.823 2.480 1.00 0.00 N ATOM 1186 CA SER A 78 -2.639 20.306 1.716 1.00 0.00 C ATOM 1187 C SER A 78 -3.616 19.159 1.450 1.00 0.00 C ATOM 1188 O SER A 78 -3.202 18.056 1.096 1.00 0.00 O ATOM 1189 CB SER A 78 -2.189 20.937 0.397 1.00 0.00 C ATOM 1190 OG SER A 78 -0.917 21.568 0.514 1.00 0.00 O ATOM 0 H SER A 78 -1.001 19.043 2.053 1.00 0.00 H new ATOM 0 HA SER A 78 -3.143 21.075 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.143 20.169 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.929 21.670 0.075 1.00 0.00 H new ATOM 0 HG SER A 78 -0.664 21.957 -0.349 1.00 0.00 H new ATOM 1196 N GLN A 79 -4.894 19.459 1.630 1.00 0.00 N ATOM 1197 CA GLN A 79 -5.933 18.466 1.413 1.00 0.00 C ATOM 1198 C GLN A 79 -5.828 17.887 0.001 1.00 0.00 C ATOM 1199 O GLN A 79 -6.009 16.687 -0.197 1.00 0.00 O ATOM 1200 CB GLN A 79 -7.320 19.062 1.660 1.00 0.00 C ATOM 1201 CG GLN A 79 -8.361 17.960 1.867 1.00 0.00 C ATOM 1202 CD GLN A 79 -9.712 18.362 1.271 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -10.143 19.500 1.356 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -10.353 17.368 0.663 1.00 0.00 N ATOM 0 H GLN A 79 -5.234 20.375 1.923 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.789 17.656 2.128 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.291 19.709 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.608 19.685 0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.015 17.036 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.475 17.758 2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.936 16.438 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -11.262 17.536 0.232 1.00 0.00 H new ATOM 1213 N GLU A 80 -5.536 18.768 -0.945 1.00 0.00 N ATOM 1214 CA GLU A 80 -5.405 18.360 -2.333 1.00 0.00 C ATOM 1215 C GLU A 80 -4.438 17.180 -2.450 1.00 0.00 C ATOM 1216 O GLU A 80 -4.772 16.156 -3.045 1.00 0.00 O ATOM 1217 CB GLU A 80 -4.950 19.530 -3.208 1.00 0.00 C ATOM 1218 CG GLU A 80 -5.888 19.718 -4.402 1.00 0.00 C ATOM 1219 CD GLU A 80 -5.659 18.632 -5.456 1.00 0.00 C ATOM 1220 OE1 GLU A 80 -6.078 17.485 -5.189 1.00 0.00 O ATOM 1221 OE2 GLU A 80 -5.071 18.974 -6.504 1.00 0.00 O ATOM 0 H GLU A 80 -5.386 19.763 -0.777 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.384 18.040 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.923 20.444 -2.614 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.935 19.350 -3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.924 19.689 -4.063 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.725 20.700 -4.846 1.00 0.00 H new ATOM 1228 N SER A 81 -3.259 17.362 -1.874 1.00 0.00 N ATOM 1229 CA SER A 81 -2.242 16.325 -1.906 1.00 0.00 C ATOM 1230 C SER A 81 -2.616 15.194 -0.945 1.00 0.00 C ATOM 1231 O SER A 81 -2.357 14.025 -1.226 1.00 0.00 O ATOM 1232 CB SER A 81 -0.866 16.891 -1.549 1.00 0.00 C ATOM 1233 OG SER A 81 -0.921 18.287 -1.267 1.00 0.00 O ATOM 0 H SER A 81 -2.985 18.213 -1.382 1.00 0.00 H new ATOM 0 HA SER A 81 -2.190 15.929 -2.920 1.00 0.00 H new ATOM 0 HB2 SER A 81 -0.469 16.361 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 81 -0.176 16.714 -2.374 1.00 0.00 H new ATOM 0 HG SER A 81 -0.024 18.611 -1.042 1.00 0.00 H new ATOM 1239 N ALA A 82 -3.220 15.583 0.168 1.00 0.00 N ATOM 1240 CA ALA A 82 -3.633 14.617 1.172 1.00 0.00 C ATOM 1241 C ALA A 82 -4.513 13.550 0.516 1.00 0.00 C ATOM 1242 O ALA A 82 -4.534 12.402 0.956 1.00 0.00 O ATOM 1243 CB ALA A 82 -4.349 15.341 2.314 1.00 0.00 C ATOM 0 H ALA A 82 -3.433 16.554 0.397 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.766 14.113 1.598 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.659 14.616 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -3.673 16.067 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.227 15.857 1.924 1.00 0.00 H new ATOM 1249 N ASP A 83 -5.216 13.968 -0.526 1.00 0.00 N ATOM 1250 CA ASP A 83 -6.095 13.064 -1.247 1.00 0.00 C ATOM 1251 C ASP A 83 -5.315 12.399 -2.383 1.00 0.00 C ATOM 1252 O ASP A 83 -5.232 11.174 -2.450 1.00 0.00 O ATOM 1253 CB ASP A 83 -7.277 13.817 -1.862 1.00 0.00 C ATOM 1254 CG ASP A 83 -7.801 14.988 -1.029 1.00 0.00 C ATOM 1255 OD1 ASP A 83 -7.803 14.845 0.213 1.00 0.00 O ATOM 1256 OD2 ASP A 83 -8.188 16.000 -1.653 1.00 0.00 O ATOM 0 H ASP A 83 -5.195 14.921 -0.888 1.00 0.00 H new ATOM 0 HA ASP A 83 -6.469 12.323 -0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -6.980 14.192 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.093 13.112 -2.024 1.00 0.00 H new ATOM 1261 N ARG A 84 -4.764 13.237 -3.249 1.00 0.00 N ATOM 1262 CA ARG A 84 -3.993 12.746 -4.378 1.00 0.00 C ATOM 1263 C ARG A 84 -3.133 11.553 -3.956 1.00 0.00 C ATOM 1264 O ARG A 84 -3.298 10.450 -4.475 1.00 0.00 O ATOM 1265 CB ARG A 84 -3.089 13.842 -4.947 1.00 0.00 C ATOM 1266 CG ARG A 84 -3.251 13.955 -6.464 1.00 0.00 C ATOM 1267 CD ARG A 84 -2.110 13.242 -7.192 1.00 0.00 C ATOM 1268 NE ARG A 84 -2.541 12.856 -8.554 1.00 0.00 N ATOM 1269 CZ ARG A 84 -2.477 13.665 -9.619 1.00 0.00 C ATOM 1270 NH1 ARG A 84 -1.999 14.910 -9.487 1.00 0.00 N ATOM 1271 NH2 ARG A 84 -2.890 13.230 -10.817 1.00 0.00 N ATOM 0 H ARG A 84 -4.836 14.253 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.697 12.435 -5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.331 14.797 -4.480 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.049 13.623 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.205 13.523 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.272 15.006 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.239 13.895 -7.249 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.808 12.357 -6.633 1.00 0.00 H new ATOM 0 HE ARG A 84 -2.910 11.915 -8.690 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.684 15.241 -8.575 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.950 15.526 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.253 12.282 -10.918 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.841 13.847 -11.628 1.00 0.00 H new ATOM 1285 N LEU A 85 -2.234 11.815 -3.019 1.00 0.00 N ATOM 1286 CA LEU A 85 -1.348 10.776 -2.522 1.00 0.00 C ATOM 1287 C LEU A 85 -2.176 9.552 -2.125 1.00 0.00 C ATOM 1288 O LEU A 85 -1.904 8.442 -2.579 1.00 0.00 O ATOM 1289 CB LEU A 85 -0.470 11.317 -1.391 1.00 0.00 C ATOM 1290 CG LEU A 85 0.789 10.509 -1.074 1.00 0.00 C ATOM 1291 CD1 LEU A 85 1.944 10.909 -1.994 1.00 0.00 C ATOM 1292 CD2 LEU A 85 1.164 10.634 0.404 1.00 0.00 C ATOM 0 H LEU A 85 -2.100 12.731 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.660 10.456 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.171 12.334 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.075 11.379 -0.486 1.00 0.00 H new ATOM 0 HG LEU A 85 0.576 9.457 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.827 10.319 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.663 10.725 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.166 11.968 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.063 10.050 0.602 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.351 11.681 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.346 10.261 1.020 1.00 0.00 H new ATOM 1304 N ALA A 86 -3.168 9.797 -1.283 1.00 0.00 N ATOM 1305 CA ALA A 86 -4.038 8.728 -0.820 1.00 0.00 C ATOM 1306 C ALA A 86 -4.520 7.913 -2.022 1.00 0.00 C ATOM 1307 O ALA A 86 -4.282 6.708 -2.095 1.00 0.00 O ATOM 1308 CB ALA A 86 -5.196 9.323 -0.017 1.00 0.00 C ATOM 0 H ALA A 86 -3.390 10.720 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.497 8.052 -0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.848 8.521 0.330 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.802 9.867 0.841 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.765 10.005 -0.649 1.00 0.00 H new ATOM 1314 N TYR A 87 -5.189 8.602 -2.934 1.00 0.00 N ATOM 1315 CA TYR A 87 -5.706 7.957 -4.129 1.00 0.00 C ATOM 1316 C TYR A 87 -4.617 7.141 -4.827 1.00 0.00 C ATOM 1317 O TYR A 87 -4.710 5.917 -4.911 1.00 0.00 O ATOM 1318 CB TYR A 87 -6.155 9.087 -5.058 1.00 0.00 C ATOM 1319 CG TYR A 87 -6.126 8.720 -6.543 1.00 0.00 C ATOM 1320 CD1 TYR A 87 -6.494 7.454 -6.948 1.00 0.00 C ATOM 1321 CD2 TYR A 87 -5.732 9.657 -7.477 1.00 0.00 C ATOM 1322 CE1 TYR A 87 -6.467 7.109 -8.346 1.00 0.00 C ATOM 1323 CE2 TYR A 87 -5.705 9.312 -8.875 1.00 0.00 C ATOM 1324 CZ TYR A 87 -6.074 8.054 -9.240 1.00 0.00 C ATOM 1325 OH TYR A 87 -6.048 7.729 -10.560 1.00 0.00 O ATOM 0 H TYR A 87 -5.385 9.601 -2.870 1.00 0.00 H new ATOM 0 HA TYR A 87 -6.519 7.276 -3.876 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -7.168 9.385 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.514 9.953 -4.896 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.802 6.721 -6.217 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -5.444 10.648 -7.160 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.753 6.121 -8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -5.399 10.035 -9.617 1.00 0.00 H new ATOM 0 HH TYR A 87 -5.748 8.503 -11.082 1.00 0.00 H new ATOM 1335 N GLU A 88 -3.608 7.852 -5.311 1.00 0.00 N ATOM 1336 CA GLU A 88 -2.502 7.209 -5.999 1.00 0.00 C ATOM 1337 C GLU A 88 -2.096 5.927 -5.269 1.00 0.00 C ATOM 1338 O GLU A 88 -2.018 4.860 -5.877 1.00 0.00 O ATOM 1339 CB GLU A 88 -1.313 8.162 -6.137 1.00 0.00 C ATOM 1340 CG GLU A 88 -1.621 9.281 -7.134 1.00 0.00 C ATOM 1341 CD GLU A 88 -0.544 9.361 -8.218 1.00 0.00 C ATOM 1342 OE1 GLU A 88 0.607 9.682 -7.852 1.00 0.00 O ATOM 1343 OE2 GLU A 88 -0.896 9.099 -9.388 1.00 0.00 O ATOM 0 H GLU A 88 -3.534 8.867 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.830 6.943 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.072 8.592 -5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.434 7.608 -6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.593 9.105 -7.594 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.685 10.234 -6.609 1.00 0.00 H new ATOM 1350 N VAL A 89 -1.847 6.074 -3.976 1.00 0.00 N ATOM 1351 CA VAL A 89 -1.450 4.941 -3.157 1.00 0.00 C ATOM 1352 C VAL A 89 -2.526 3.857 -3.239 1.00 0.00 C ATOM 1353 O VAL A 89 -2.296 2.791 -3.809 1.00 0.00 O ATOM 1354 CB VAL A 89 -1.175 5.403 -1.725 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -1.057 4.208 -0.776 1.00 0.00 C ATOM 1356 CG2 VAL A 89 0.079 6.277 -1.662 1.00 0.00 C ATOM 0 H VAL A 89 -1.912 6.960 -3.475 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.522 4.507 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.022 6.007 -1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.861 4.564 0.235 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.988 3.641 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.237 3.566 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.252 6.592 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.938 5.707 -2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.058 7.156 -2.292 1.00 0.00 H new ATOM 1366 N SER A 90 -3.678 4.165 -2.660 1.00 0.00 N ATOM 1367 CA SER A 90 -4.790 3.230 -2.661 1.00 0.00 C ATOM 1368 C SER A 90 -4.902 2.551 -4.027 1.00 0.00 C ATOM 1369 O SER A 90 -5.013 1.328 -4.109 1.00 0.00 O ATOM 1370 CB SER A 90 -6.102 3.934 -2.309 1.00 0.00 C ATOM 1371 OG SER A 90 -6.172 5.243 -2.868 1.00 0.00 O ATOM 0 H SER A 90 -3.865 5.049 -2.187 1.00 0.00 H new ATOM 0 HA SER A 90 -4.600 2.472 -1.901 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.941 3.340 -2.671 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.200 3.997 -1.225 1.00 0.00 H new ATOM 0 HG SER A 90 -5.641 5.860 -2.323 1.00 0.00 H new ATOM 1377 N LEU A 91 -4.868 3.373 -5.066 1.00 0.00 N ATOM 1378 CA LEU A 91 -4.964 2.866 -6.424 1.00 0.00 C ATOM 1379 C LEU A 91 -3.796 1.916 -6.693 1.00 0.00 C ATOM 1380 O LEU A 91 -3.999 0.792 -7.152 1.00 0.00 O ATOM 1381 CB LEU A 91 -5.058 4.023 -7.421 1.00 0.00 C ATOM 1382 CG LEU A 91 -3.867 4.192 -8.367 1.00 0.00 C ATOM 1383 CD1 LEU A 91 -3.775 3.021 -9.347 1.00 0.00 C ATOM 1384 CD2 LEU A 91 -3.927 5.540 -9.088 1.00 0.00 C ATOM 0 H LEU A 91 -4.775 4.386 -4.994 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.880 2.289 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.957 3.887 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.186 4.949 -6.861 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.954 4.186 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.920 3.166 -10.008 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.651 2.091 -8.792 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.688 2.971 -9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.069 5.635 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.847 5.601 -9.670 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.908 6.346 -8.355 1.00 0.00 H new ATOM 1396 N LEU A 92 -2.599 2.401 -6.398 1.00 0.00 N ATOM 1397 CA LEU A 92 -1.399 1.608 -6.602 1.00 0.00 C ATOM 1398 C LEU A 92 -1.626 0.197 -6.057 1.00 0.00 C ATOM 1399 O LEU A 92 -1.597 -0.775 -6.810 1.00 0.00 O ATOM 1400 CB LEU A 92 -0.182 2.313 -5.998 1.00 0.00 C ATOM 1401 CG LEU A 92 0.456 3.405 -6.859 1.00 0.00 C ATOM 1402 CD1 LEU A 92 1.564 4.129 -6.092 1.00 0.00 C ATOM 1403 CD2 LEU A 92 0.956 2.834 -8.187 1.00 0.00 C ATOM 0 H LEU A 92 -2.435 3.334 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.185 1.508 -7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.478 2.755 -5.047 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.576 1.562 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.309 4.145 -7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.001 4.900 -6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.146 4.589 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.335 3.414 -5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.405 3.631 -8.780 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.701 2.062 -7.994 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.119 2.402 -8.735 1.00 0.00 H new ATOM 1415 N VAL A 93 -1.846 0.129 -4.752 1.00 0.00 N ATOM 1416 CA VAL A 93 -2.078 -1.147 -4.097 1.00 0.00 C ATOM 1417 C VAL A 93 -2.965 -2.019 -4.988 1.00 0.00 C ATOM 1418 O VAL A 93 -2.746 -3.224 -5.099 1.00 0.00 O ATOM 1419 CB VAL A 93 -2.669 -0.920 -2.704 1.00 0.00 C ATOM 1420 CG1 VAL A 93 -2.592 -2.196 -1.862 1.00 0.00 C ATOM 1421 CG2 VAL A 93 -1.975 0.246 -1.997 1.00 0.00 C ATOM 0 H VAL A 93 -1.868 0.937 -4.131 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.138 -1.680 -3.954 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.721 -0.660 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.018 -2.008 -0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -3.152 -2.991 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.550 -2.499 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.414 0.386 -1.009 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -0.912 0.028 -1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.104 1.156 -2.583 1.00 0.00 H new ATOM 1431 N PHE A 94 -3.948 -1.375 -5.600 1.00 0.00 N ATOM 1432 CA PHE A 94 -4.869 -2.077 -6.478 1.00 0.00 C ATOM 1433 C PHE A 94 -4.127 -2.720 -7.651 1.00 0.00 C ATOM 1434 O PHE A 94 -4.297 -3.907 -7.923 1.00 0.00 O ATOM 1435 CB PHE A 94 -5.851 -1.036 -7.020 1.00 0.00 C ATOM 1436 CG PHE A 94 -7.264 -1.576 -7.252 1.00 0.00 C ATOM 1437 CD1 PHE A 94 -7.585 -2.154 -8.440 1.00 0.00 C ATOM 1438 CD2 PHE A 94 -8.200 -1.477 -6.270 1.00 0.00 C ATOM 1439 CE1 PHE A 94 -8.896 -2.655 -8.656 1.00 0.00 C ATOM 1440 CE2 PHE A 94 -9.511 -1.977 -6.485 1.00 0.00 C ATOM 1441 CZ PHE A 94 -9.831 -2.556 -7.674 1.00 0.00 C ATOM 0 H PHE A 94 -4.127 -0.375 -5.505 1.00 0.00 H new ATOM 0 HA PHE A 94 -5.377 -2.869 -5.927 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -5.902 -0.201 -6.321 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.465 -0.642 -7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.842 -2.232 -9.220 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -7.946 -1.018 -5.326 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.150 -3.114 -9.600 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.254 -1.898 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.828 -2.937 -7.838 1.00 0.00 H new ATOM 1451 N GLN A 95 -3.318 -1.907 -8.315 1.00 0.00 N ATOM 1452 CA GLN A 95 -2.549 -2.381 -9.453 1.00 0.00 C ATOM 1453 C GLN A 95 -1.397 -3.270 -8.981 1.00 0.00 C ATOM 1454 O GLN A 95 -1.178 -4.350 -9.527 1.00 0.00 O ATOM 1455 CB GLN A 95 -2.031 -1.211 -10.291 1.00 0.00 C ATOM 1456 CG GLN A 95 -0.647 -0.765 -9.814 1.00 0.00 C ATOM 1457 CD GLN A 95 -0.104 0.367 -10.688 1.00 0.00 C ATOM 1458 OE1 GLN A 95 -0.544 1.503 -10.621 1.00 0.00 O ATOM 1459 NE2 GLN A 95 0.874 -0.005 -11.509 1.00 0.00 N ATOM 0 H GLN A 95 -3.179 -0.923 -8.086 1.00 0.00 H new ATOM 0 HA GLN A 95 -3.205 -2.976 -10.088 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.981 -1.504 -11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.728 -0.376 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -0.705 -0.433 -8.777 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.040 -1.611 -9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.195 -0.973 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 95 1.303 0.678 -12.133 1.00 0.00 H new ATOM 1468 N LEU A 96 -0.691 -2.783 -7.971 1.00 0.00 N ATOM 1469 CA LEU A 96 0.434 -3.519 -7.420 1.00 0.00 C ATOM 1470 C LEU A 96 -0.062 -4.856 -6.865 1.00 0.00 C ATOM 1471 O LEU A 96 -0.001 -5.877 -7.548 1.00 0.00 O ATOM 1472 CB LEU A 96 1.182 -2.666 -6.393 1.00 0.00 C ATOM 1473 CG LEU A 96 2.207 -1.682 -6.959 1.00 0.00 C ATOM 1474 CD1 LEU A 96 3.162 -2.381 -7.928 1.00 0.00 C ATOM 1475 CD2 LEU A 96 1.514 -0.479 -7.605 1.00 0.00 C ATOM 0 H LEU A 96 -0.877 -1.887 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 96 1.161 -3.746 -8.200 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.449 -2.104 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.693 -3.333 -5.699 1.00 0.00 H new ATOM 0 HG LEU A 96 2.808 -1.302 -6.133 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.880 -1.659 -8.316 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.693 -3.176 -7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.594 -2.807 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.265 0.205 -7.999 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.873 -0.821 -8.417 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.910 0.037 -6.859 1.00 0.00 H new ATOM 1487 N ALA A 97 -0.541 -4.807 -5.630 1.00 0.00 N ATOM 1488 CA ALA A 97 -1.046 -6.002 -4.975 1.00 0.00 C ATOM 1489 C ALA A 97 -2.087 -6.670 -5.876 1.00 0.00 C ATOM 1490 O ALA A 97 -1.799 -7.676 -6.523 1.00 0.00 O ATOM 1491 CB ALA A 97 -1.614 -5.631 -3.604 1.00 0.00 C ATOM 0 H ALA A 97 -0.590 -3.959 -5.066 1.00 0.00 H new ATOM 0 HA ALA A 97 -0.242 -6.719 -4.811 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.993 -6.527 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.828 -5.187 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.426 -4.915 -3.728 1.00 0.00 H new ATOM 1497 N GLY A 98 -3.275 -6.085 -5.888 1.00 0.00 N ATOM 1498 CA GLY A 98 -4.360 -6.611 -6.699 1.00 0.00 C ATOM 1499 C GLY A 98 -5.715 -6.342 -6.041 1.00 0.00 C ATOM 1500 O GLY A 98 -6.182 -7.136 -5.226 1.00 0.00 O ATOM 0 H GLY A 98 -3.511 -5.252 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.335 -6.154 -7.688 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.227 -7.684 -6.840 1.00 0.00 H new ATOM 1504 N GLY A 99 -6.309 -5.220 -6.421 1.00 0.00 N ATOM 1505 CA GLY A 99 -7.601 -4.837 -5.879 1.00 0.00 C ATOM 1506 C GLY A 99 -8.740 -5.325 -6.777 1.00 0.00 C ATOM 1507 O GLY A 99 -8.636 -5.270 -8.002 1.00 0.00 O ATOM 0 H GLY A 99 -5.919 -4.564 -7.098 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.718 -5.254 -4.879 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.651 -3.753 -5.780 1.00 0.00 H new ATOM 1511 N ILE A 100 -9.800 -5.791 -6.134 1.00 0.00 N ATOM 1512 CA ILE A 100 -10.956 -6.289 -6.860 1.00 0.00 C ATOM 1513 C ILE A 100 -12.024 -5.194 -6.921 1.00 0.00 C ATOM 1514 O ILE A 100 -11.970 -4.227 -6.164 1.00 0.00 O ATOM 1515 CB ILE A 100 -11.453 -7.598 -6.244 1.00 0.00 C ATOM 1516 CG1 ILE A 100 -12.102 -7.351 -4.881 1.00 0.00 C ATOM 1517 CG2 ILE A 100 -10.325 -8.629 -6.163 1.00 0.00 C ATOM 1518 CD1 ILE A 100 -13.170 -8.406 -4.583 1.00 0.00 C ATOM 0 H ILE A 100 -9.883 -5.834 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.685 -6.530 -7.888 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.222 -8.012 -6.896 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -11.340 -7.370 -4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -12.551 -6.358 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.705 -9.550 -5.721 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -9.948 -8.835 -7.165 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.517 -8.237 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -13.616 -8.207 -3.608 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -13.943 -8.368 -5.350 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -12.713 -9.395 -4.578 1.00 0.00 H new ATOM 1530 N GLY A 101 -12.969 -5.385 -7.830 1.00 0.00 N ATOM 1531 CA GLY A 101 -14.047 -4.426 -8.000 1.00 0.00 C ATOM 1532 C GLY A 101 -13.906 -3.670 -9.323 1.00 0.00 C ATOM 1533 O GLY A 101 -13.730 -4.282 -10.376 1.00 0.00 O ATOM 0 H GLY A 101 -13.010 -6.189 -8.456 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -15.006 -4.943 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.043 -3.719 -7.171 1.00 0.00 H new ATOM 1537 N GLU A 102 -13.987 -2.351 -9.226 1.00 0.00 N ATOM 1538 CA GLU A 102 -13.869 -1.506 -10.402 1.00 0.00 C ATOM 1539 C GLU A 102 -12.643 -0.598 -10.283 1.00 0.00 C ATOM 1540 O GLU A 102 -12.665 0.386 -9.546 1.00 0.00 O ATOM 1541 CB GLU A 102 -15.142 -0.683 -10.615 1.00 0.00 C ATOM 1542 CG GLU A 102 -15.273 0.410 -9.552 1.00 0.00 C ATOM 1543 CD GLU A 102 -16.740 0.773 -9.317 1.00 0.00 C ATOM 1544 OE1 GLU A 102 -17.410 -0.005 -8.602 1.00 0.00 O ATOM 1545 OE2 GLU A 102 -17.159 1.820 -9.856 1.00 0.00 O ATOM 0 H GLU A 102 -14.133 -1.847 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 102 -13.739 -2.147 -11.274 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -15.125 -0.231 -11.607 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.013 -1.337 -10.578 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.825 0.070 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.721 1.296 -9.866 1.00 0.00 H new ATOM 1552 N ARG A 103 -11.604 -0.962 -11.020 1.00 0.00 N ATOM 1553 CA ARG A 103 -10.371 -0.192 -11.006 1.00 0.00 C ATOM 1554 C ARG A 103 -10.681 1.306 -10.999 1.00 0.00 C ATOM 1555 O ARG A 103 -11.754 1.724 -11.432 1.00 0.00 O ATOM 1556 CB ARG A 103 -9.503 -0.521 -12.222 1.00 0.00 C ATOM 1557 CG ARG A 103 -9.134 -2.006 -12.247 1.00 0.00 C ATOM 1558 CD ARG A 103 -9.463 -2.630 -13.605 1.00 0.00 C ATOM 1559 NE ARG A 103 -9.248 -4.094 -13.554 1.00 0.00 N ATOM 1560 CZ ARG A 103 -9.315 -4.900 -14.622 1.00 0.00 C ATOM 1561 NH1 ARG A 103 -9.590 -4.390 -15.831 1.00 0.00 N ATOM 1562 NH2 ARG A 103 -9.106 -6.216 -14.482 1.00 0.00 N ATOM 0 H ARG A 103 -11.590 -1.779 -11.630 1.00 0.00 H new ATOM 0 HA ARG A 103 -9.824 -0.457 -10.101 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -10.037 -0.260 -13.136 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -8.596 0.083 -12.200 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -8.071 -2.124 -12.037 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -9.675 -2.532 -11.460 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -10.498 -2.415 -13.872 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -8.835 -2.189 -14.379 1.00 0.00 H new ATOM 0 HE ARG A 103 -9.036 -4.515 -12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -9.748 -3.388 -15.938 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -9.641 -5.004 -16.644 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -8.896 -6.604 -13.562 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -9.157 -6.830 -15.295 1.00 0.00 H new ATOM 1576 N PRO A 104 -9.696 2.094 -10.491 1.00 0.00 N ATOM 1577 CA PRO A 104 -9.852 3.537 -10.422 1.00 0.00 C ATOM 1578 C PRO A 104 -9.694 4.172 -11.805 1.00 0.00 C ATOM 1579 O PRO A 104 -9.124 3.564 -12.710 1.00 0.00 O ATOM 1580 CB PRO A 104 -8.797 4.000 -9.432 1.00 0.00 C ATOM 1581 CG PRO A 104 -7.789 2.867 -9.336 1.00 0.00 C ATOM 1582 CD PRO A 104 -8.412 1.634 -9.970 1.00 0.00 C ATOM 0 HA PRO A 104 -10.847 3.837 -10.093 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -8.320 4.919 -9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -9.241 4.211 -8.459 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.865 3.134 -9.848 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -7.532 2.672 -8.295 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.782 1.236 -10.765 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -8.544 0.837 -9.239 1.00 0.00 H new ATOM 1590 N GLN A 105 -10.210 5.387 -11.926 1.00 0.00 N ATOM 1591 CA GLN A 105 -10.133 6.111 -13.183 1.00 0.00 C ATOM 1592 C GLN A 105 -8.756 5.921 -13.822 1.00 0.00 C ATOM 1593 O GLN A 105 -7.747 5.853 -13.122 1.00 0.00 O ATOM 1594 CB GLN A 105 -10.444 7.595 -12.981 1.00 0.00 C ATOM 1595 CG GLN A 105 -9.457 8.233 -12.001 1.00 0.00 C ATOM 1596 CD GLN A 105 -9.683 9.743 -11.900 1.00 0.00 C ATOM 1597 OE1 GLN A 105 -10.483 10.326 -12.613 1.00 0.00 O ATOM 1598 NE2 GLN A 105 -8.936 10.341 -10.977 1.00 0.00 N ATOM 0 H GLN A 105 -10.683 5.888 -11.174 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.885 5.705 -13.860 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -10.398 8.114 -13.939 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -11.461 7.709 -12.605 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -9.571 7.778 -11.017 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -8.436 8.036 -12.327 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -8.286 9.793 -10.414 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -9.013 11.348 -10.832 1.00 0.00 H new ATOM 1607 N PRO A 106 -8.759 5.838 -15.180 1.00 0.00 N ATOM 1608 CA PRO A 106 -7.522 5.657 -15.921 1.00 0.00 C ATOM 1609 C PRO A 106 -6.715 6.957 -15.967 1.00 0.00 C ATOM 1610 O PRO A 106 -6.982 7.884 -15.205 1.00 0.00 O ATOM 1611 CB PRO A 106 -7.955 5.178 -17.297 1.00 0.00 C ATOM 1612 CG PRO A 106 -9.422 5.551 -17.426 1.00 0.00 C ATOM 1613 CD PRO A 106 -9.934 5.915 -16.042 1.00 0.00 C ATOM 0 HA PRO A 106 -6.853 4.934 -15.454 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.362 5.651 -18.080 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.815 4.102 -17.398 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.544 6.390 -18.111 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.993 4.718 -17.837 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.368 6.915 -16.031 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.712 5.226 -15.714 1.00 0.00 H new ATOM 1621 N SER A 107 -5.745 6.981 -16.868 1.00 0.00 N ATOM 1622 CA SER A 107 -4.897 8.151 -17.023 1.00 0.00 C ATOM 1623 C SER A 107 -4.299 8.547 -15.672 1.00 0.00 C ATOM 1624 O SER A 107 -4.637 7.962 -14.644 1.00 0.00 O ATOM 1625 CB SER A 107 -5.680 9.323 -17.621 1.00 0.00 C ATOM 1626 OG SER A 107 -5.947 9.134 -19.008 1.00 0.00 O ATOM 0 H SER A 107 -5.527 6.209 -17.498 1.00 0.00 H new ATOM 0 HA SER A 107 -4.089 7.899 -17.711 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.621 9.442 -17.084 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.115 10.245 -17.483 1.00 0.00 H new ATOM 0 HG SER A 107 -6.449 9.902 -19.352 1.00 0.00 H new ATOM 1632 N GLY A 108 -3.419 9.537 -15.718 1.00 0.00 N ATOM 1633 CA GLY A 108 -2.771 10.018 -14.510 1.00 0.00 C ATOM 1634 C GLY A 108 -1.318 10.411 -14.787 1.00 0.00 C ATOM 1635 O GLY A 108 -0.918 10.550 -15.942 1.00 0.00 O ATOM 0 H GLY A 108 -3.140 10.019 -16.573 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -3.316 10.877 -14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.802 9.244 -13.743 1.00 0.00 H new ATOM 1639 N PRO A 109 -0.548 10.582 -13.679 1.00 0.00 N ATOM 1640 CA PRO A 109 0.852 10.956 -13.792 1.00 0.00 C ATOM 1641 C PRO A 109 1.703 9.767 -14.241 1.00 0.00 C ATOM 1642 O PRO A 109 1.394 8.621 -13.918 1.00 0.00 O ATOM 1643 CB PRO A 109 1.233 11.472 -12.414 1.00 0.00 C ATOM 1644 CG PRO A 109 0.176 10.938 -11.461 1.00 0.00 C ATOM 1645 CD PRO A 109 -0.987 10.425 -12.296 1.00 0.00 C ATOM 0 HA PRO A 109 1.024 11.720 -14.551 1.00 0.00 H new ATOM 0 HB2 PRO A 109 2.226 11.126 -12.129 1.00 0.00 H new ATOM 0 HB3 PRO A 109 1.258 12.562 -12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.586 10.138 -10.845 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.158 11.723 -10.782 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.209 9.383 -12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -1.896 10.995 -12.102 1.00 0.00 H new ATOM 1653 N SER A 110 2.757 10.080 -14.980 1.00 0.00 N ATOM 1654 CA SER A 110 3.655 9.051 -15.478 1.00 0.00 C ATOM 1655 C SER A 110 4.866 9.696 -16.154 1.00 0.00 C ATOM 1656 O SER A 110 4.746 10.750 -16.776 1.00 0.00 O ATOM 1657 CB SER A 110 2.936 8.119 -16.455 1.00 0.00 C ATOM 1658 OG SER A 110 3.709 6.959 -16.753 1.00 0.00 O ATOM 0 H SER A 110 3.010 11.032 -15.246 1.00 0.00 H new ATOM 0 HA SER A 110 3.995 8.454 -14.631 1.00 0.00 H new ATOM 0 HB2 SER A 110 1.978 7.817 -16.030 1.00 0.00 H new ATOM 0 HB3 SER A 110 2.720 8.658 -17.378 1.00 0.00 H new ATOM 0 HG SER A 110 3.215 6.389 -17.378 1.00 0.00 H new ATOM 1664 N SER A 111 6.006 9.036 -16.008 1.00 0.00 N ATOM 1665 CA SER A 111 7.238 9.532 -16.597 1.00 0.00 C ATOM 1666 C SER A 111 8.352 8.496 -16.430 1.00 0.00 C ATOM 1667 O SER A 111 8.619 8.040 -15.320 1.00 0.00 O ATOM 1668 CB SER A 111 7.653 10.863 -15.967 1.00 0.00 C ATOM 1669 OG SER A 111 8.993 11.216 -16.298 1.00 0.00 O ATOM 0 H SER A 111 6.102 8.162 -15.490 1.00 0.00 H new ATOM 0 HA SER A 111 7.065 9.702 -17.660 1.00 0.00 H new ATOM 0 HB2 SER A 111 6.977 11.649 -16.303 1.00 0.00 H new ATOM 0 HB3 SER A 111 7.552 10.798 -14.884 1.00 0.00 H new ATOM 0 HG SER A 111 9.219 12.072 -15.878 1.00 0.00 H new ATOM 1675 N GLY A 112 8.971 8.154 -17.551 1.00 0.00 N ATOM 1676 CA GLY A 112 10.049 7.181 -17.543 1.00 0.00 C ATOM 1677 C GLY A 112 9.817 6.097 -18.597 1.00 0.00 C ATOM 1678 O GLY A 112 10.765 5.468 -19.066 1.00 0.00 O ATOM 0 H GLY A 112 8.746 8.534 -18.471 1.00 0.00 H new ATOM 0 HA2 GLY A 112 10.998 7.682 -17.735 1.00 0.00 H new ATOM 0 HA3 GLY A 112 10.124 6.724 -16.556 1.00 0.00 H new TER 1682 GLY A 112