USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.66) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 119:sc= -0.476 USER MOD Single : A 9 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN :FLIP amide:sc= 0.82 F(o=-0.032,f=0.82) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -4.23! USER MOD Single : A 41 ASN : amide:sc= 0.507 K(o=0.51,f=-0.042) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -52:sc= 1.2 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -150:sc= -0.0063 USER MOD Single : A 66 ASN : amide:sc= -0.935 K(o=-0.93,f=-3.7!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc=-0.00657 K(o=-0.0066,f=-1.3) USER MOD Single : A 89 SER OG : rot -63:sc= 1.01 USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= 0.51 (180deg=0.19) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -2.95 K(o=-2.9,f=-5.1!) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -1.87! C(o=-1.9!,f=-1.9!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.593 7.670 -22.552 1.00 0.00 N ATOM 2 CA MET A 1 -4.497 6.908 -21.642 1.00 0.00 C ATOM 3 C MET A 1 -3.939 6.916 -20.210 1.00 0.00 C ATOM 4 O MET A 1 -2.739 6.961 -20.013 1.00 0.00 O ATOM 5 CB MET A 1 -4.517 5.486 -22.203 1.00 0.00 C ATOM 6 CG MET A 1 -5.780 4.765 -21.726 1.00 0.00 C ATOM 7 SD MET A 1 -7.227 5.480 -22.546 1.00 0.00 S ATOM 8 CE MET A 1 -8.356 5.386 -21.135 1.00 0.00 C ATOM 0 H1 MET A 1 -3.981 7.657 -23.517 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.517 8.653 -22.222 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.650 7.231 -22.552 1.00 0.00 H new ATOM 0 HA MET A 1 -5.496 7.341 -21.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.491 5.513 -23.292 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.630 4.943 -21.876 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.711 3.700 -21.950 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.878 4.858 -20.644 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.330 5.783 -21.421 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.465 4.347 -20.824 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.954 5.972 -20.308 1.00 0.00 H new ATOM 20 N SER A 2 -4.795 6.872 -19.209 1.00 0.00 N ATOM 21 CA SER A 2 -4.299 6.878 -17.800 1.00 0.00 C ATOM 22 C SER A 2 -4.978 5.760 -16.993 1.00 0.00 C ATOM 23 O SER A 2 -5.918 5.142 -17.457 1.00 0.00 O ATOM 24 CB SER A 2 -4.686 8.250 -17.250 1.00 0.00 C ATOM 25 OG SER A 2 -3.630 8.746 -16.440 1.00 0.00 O ATOM 0 H SER A 2 -5.809 6.833 -19.312 1.00 0.00 H new ATOM 0 HA SER A 2 -3.225 6.704 -17.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.886 8.940 -18.070 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.603 8.175 -16.666 1.00 0.00 H new ATOM 0 HG SER A 2 -3.875 9.627 -16.087 1.00 0.00 H new ATOM 31 N GLN A 3 -4.514 5.493 -15.789 1.00 0.00 N ATOM 32 CA GLN A 3 -5.140 4.416 -14.965 1.00 0.00 C ATOM 33 C GLN A 3 -5.567 4.973 -13.597 1.00 0.00 C ATOM 34 O GLN A 3 -4.843 4.854 -12.627 1.00 0.00 O ATOM 35 CB GLN A 3 -4.046 3.361 -14.796 1.00 0.00 C ATOM 36 CG GLN A 3 -3.731 2.728 -16.152 1.00 0.00 C ATOM 37 CD GLN A 3 -4.949 1.938 -16.644 1.00 0.00 C ATOM 38 OE1 GLN A 3 -5.352 0.978 -16.018 1.00 0.00 O ATOM 39 NE2 GLN A 3 -5.561 2.297 -17.747 1.00 0.00 N ATOM 0 H GLN A 3 -3.731 5.976 -15.348 1.00 0.00 H new ATOM 0 HA GLN A 3 -6.034 4.005 -15.433 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.148 3.817 -14.379 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -4.371 2.595 -14.092 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.470 3.502 -16.874 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.867 2.069 -16.065 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -5.227 3.102 -18.277 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -6.371 1.771 -18.075 1.00 0.00 H new ATOM 48 N GLU A 4 -6.738 5.573 -13.508 1.00 0.00 N ATOM 49 CA GLU A 4 -7.193 6.124 -12.186 1.00 0.00 C ATOM 50 C GLU A 4 -8.091 5.102 -11.476 1.00 0.00 C ATOM 51 O GLU A 4 -7.966 4.893 -10.284 1.00 0.00 O ATOM 52 CB GLU A 4 -7.976 7.405 -12.502 1.00 0.00 C ATOM 53 CG GLU A 4 -7.003 8.579 -12.629 1.00 0.00 C ATOM 54 CD GLU A 4 -7.787 9.892 -12.643 1.00 0.00 C ATOM 55 OE1 GLU A 4 -8.692 10.028 -11.835 1.00 0.00 O ATOM 56 OE2 GLU A 4 -7.469 10.741 -13.459 1.00 0.00 O ATOM 0 H GLU A 4 -7.389 5.703 -14.283 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.352 6.334 -11.525 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -8.537 7.282 -13.428 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.702 7.604 -11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.298 8.573 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.418 8.483 -13.543 1.00 0.00 H new ATOM 63 N GLN A 5 -8.988 4.449 -12.192 1.00 0.00 N ATOM 64 CA GLN A 5 -9.874 3.424 -11.520 1.00 0.00 C ATOM 65 C GLN A 5 -9.003 2.384 -10.792 1.00 0.00 C ATOM 66 O GLN A 5 -9.330 1.955 -9.701 1.00 0.00 O ATOM 67 CB GLN A 5 -10.728 2.761 -12.624 1.00 0.00 C ATOM 68 CG GLN A 5 -9.838 1.996 -13.611 1.00 0.00 C ATOM 69 CD GLN A 5 -10.649 1.643 -14.864 1.00 0.00 C ATOM 70 OE1 GLN A 5 -10.319 2.077 -15.950 1.00 0.00 O ATOM 71 NE2 GLN A 5 -11.704 0.871 -14.766 1.00 0.00 N ATOM 0 H GLN A 5 -9.145 4.576 -13.192 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.523 3.887 -10.777 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.449 2.079 -12.173 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.299 3.522 -13.156 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -8.974 2.602 -13.883 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.456 1.088 -13.144 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.985 0.504 -13.857 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.244 0.637 -15.599 1.00 0.00 H new ATOM 80 N TYR A 6 -7.875 2.011 -11.364 1.00 0.00 N ATOM 81 CA TYR A 6 -6.972 1.038 -10.660 1.00 0.00 C ATOM 82 C TYR A 6 -6.261 1.770 -9.513 1.00 0.00 C ATOM 83 O TYR A 6 -6.024 1.204 -8.465 1.00 0.00 O ATOM 84 CB TYR A 6 -5.939 0.555 -11.692 1.00 0.00 C ATOM 85 CG TYR A 6 -6.582 -0.416 -12.650 1.00 0.00 C ATOM 86 CD1 TYR A 6 -7.263 0.058 -13.778 1.00 0.00 C ATOM 87 CD2 TYR A 6 -6.490 -1.793 -12.417 1.00 0.00 C ATOM 88 CE1 TYR A 6 -7.852 -0.844 -14.670 1.00 0.00 C ATOM 89 CE2 TYR A 6 -7.078 -2.696 -13.309 1.00 0.00 C ATOM 90 CZ TYR A 6 -7.760 -2.221 -14.436 1.00 0.00 C ATOM 91 OH TYR A 6 -8.340 -3.111 -15.317 1.00 0.00 O ATOM 0 H TYR A 6 -7.546 2.333 -12.274 1.00 0.00 H new ATOM 0 HA TYR A 6 -7.528 0.194 -10.251 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -5.535 1.406 -12.240 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -5.102 0.077 -11.184 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -7.333 1.120 -13.959 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.964 -2.159 -11.547 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.378 -0.478 -15.539 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.006 -3.758 -13.129 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.182 -4.027 -15.008 1.00 0.00 H new ATOM 101 N THR A 7 -5.922 3.032 -9.702 1.00 0.00 N ATOM 102 CA THR A 7 -5.231 3.795 -8.605 1.00 0.00 C ATOM 103 C THR A 7 -6.191 3.992 -7.423 1.00 0.00 C ATOM 104 O THR A 7 -5.794 3.876 -6.277 1.00 0.00 O ATOM 105 CB THR A 7 -4.829 5.157 -9.214 1.00 0.00 C ATOM 106 OG1 THR A 7 -3.863 4.946 -10.238 1.00 0.00 O ATOM 107 CG2 THR A 7 -4.234 6.078 -8.143 1.00 0.00 C ATOM 0 H THR A 7 -6.092 3.559 -10.558 1.00 0.00 H new ATOM 0 HA THR A 7 -4.357 3.262 -8.230 1.00 0.00 H new ATOM 0 HB THR A 7 -5.720 5.631 -9.627 1.00 0.00 H new ATOM 0 HG1 THR A 7 -4.220 5.262 -11.094 1.00 0.00 H new ATOM 0 HG21 THR A 7 -3.958 7.031 -8.595 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.972 6.248 -7.359 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.348 5.611 -7.713 1.00 0.00 H new ATOM 115 N GLU A 8 -7.449 4.288 -7.683 1.00 0.00 N ATOM 116 CA GLU A 8 -8.410 4.485 -6.541 1.00 0.00 C ATOM 117 C GLU A 8 -8.646 3.151 -5.827 1.00 0.00 C ATOM 118 O GLU A 8 -8.699 3.101 -4.611 1.00 0.00 O ATOM 119 CB GLU A 8 -9.720 5.018 -7.141 1.00 0.00 C ATOM 120 CG GLU A 8 -9.635 6.538 -7.287 1.00 0.00 C ATOM 121 CD GLU A 8 -11.038 7.139 -7.192 1.00 0.00 C ATOM 122 OE1 GLU A 8 -11.881 6.755 -7.985 1.00 0.00 O ATOM 123 OE2 GLU A 8 -11.246 7.975 -6.328 1.00 0.00 O ATOM 0 H GLU A 8 -7.846 4.400 -8.616 1.00 0.00 H new ATOM 0 HA GLU A 8 -8.014 5.188 -5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.900 4.559 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.561 4.750 -6.501 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.996 6.954 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.181 6.797 -8.243 1.00 0.00 H new ATOM 130 N ASN A 9 -8.762 2.066 -6.561 1.00 0.00 N ATOM 131 CA ASN A 9 -8.963 0.739 -5.883 1.00 0.00 C ATOM 132 C ASN A 9 -7.618 0.262 -5.324 1.00 0.00 C ATOM 133 O ASN A 9 -7.552 -0.269 -4.231 1.00 0.00 O ATOM 134 CB ASN A 9 -9.487 -0.235 -6.949 1.00 0.00 C ATOM 135 CG ASN A 9 -10.881 0.211 -7.408 1.00 0.00 C ATOM 136 OD1 ASN A 9 -11.023 1.253 -8.017 1.00 0.00 O ATOM 137 ND2 ASN A 9 -11.927 -0.533 -7.141 1.00 0.00 N ATOM 0 H ASN A 9 -8.727 2.039 -7.580 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.672 0.805 -5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.804 -0.263 -7.798 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.532 -1.246 -6.543 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.855 -0.236 -7.444 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.813 -1.408 -6.630 1.00 0.00 H new ATOM 144 N LEU A 10 -6.538 0.471 -6.051 1.00 0.00 N ATOM 145 CA LEU A 10 -5.197 0.046 -5.526 1.00 0.00 C ATOM 146 C LEU A 10 -4.842 0.888 -4.292 1.00 0.00 C ATOM 147 O LEU A 10 -4.261 0.386 -3.350 1.00 0.00 O ATOM 148 CB LEU A 10 -4.177 0.290 -6.651 1.00 0.00 C ATOM 149 CG LEU A 10 -2.796 -0.186 -6.202 1.00 0.00 C ATOM 150 CD1 LEU A 10 -2.816 -1.703 -6.008 1.00 0.00 C ATOM 151 CD2 LEU A 10 -1.759 0.180 -7.267 1.00 0.00 C ATOM 0 H LEU A 10 -6.528 0.911 -6.971 1.00 0.00 H new ATOM 0 HA LEU A 10 -5.198 -1.004 -5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -4.481 -0.242 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.144 1.350 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.535 0.296 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.831 -2.042 -5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.554 -1.963 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.078 -2.187 -6.949 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.774 -0.159 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.020 -0.301 -8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.744 1.261 -7.404 1.00 0.00 H new ATOM 163 N LYS A 11 -5.192 2.163 -4.280 1.00 0.00 N ATOM 164 CA LYS A 11 -4.862 3.009 -3.075 1.00 0.00 C ATOM 165 C LYS A 11 -5.481 2.402 -1.807 1.00 0.00 C ATOM 166 O LYS A 11 -4.899 2.479 -0.740 1.00 0.00 O ATOM 167 CB LYS A 11 -5.445 4.407 -3.335 1.00 0.00 C ATOM 168 CG LYS A 11 -4.924 5.382 -2.275 1.00 0.00 C ATOM 169 CD LYS A 11 -5.983 6.452 -2.000 1.00 0.00 C ATOM 170 CE LYS A 11 -5.734 7.075 -0.624 1.00 0.00 C ATOM 171 NZ LYS A 11 -7.089 7.262 -0.036 1.00 0.00 N ATOM 0 H LYS A 11 -5.681 2.645 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.784 3.059 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.164 4.751 -4.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.534 4.370 -3.307 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.688 4.845 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.001 5.849 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.947 7.221 -2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.979 6.011 -2.036 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.120 6.425 -0.001 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.206 8.025 -0.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.002 7.686 0.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.649 7.891 -0.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.565 6.340 0.040 1.00 0.00 H new ATOM 185 N VAL A 12 -6.646 1.791 -1.905 1.00 0.00 N ATOM 186 CA VAL A 12 -7.261 1.180 -0.676 1.00 0.00 C ATOM 187 C VAL A 12 -6.482 -0.086 -0.297 1.00 0.00 C ATOM 188 O VAL A 12 -6.133 -0.281 0.852 1.00 0.00 O ATOM 189 CB VAL A 12 -8.716 0.833 -1.032 1.00 0.00 C ATOM 190 CG1 VAL A 12 -9.399 0.180 0.172 1.00 0.00 C ATOM 191 CG2 VAL A 12 -9.466 2.113 -1.410 1.00 0.00 C ATOM 0 H VAL A 12 -7.187 1.691 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.230 1.863 0.173 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.727 0.140 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.430 -0.065 -0.083 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.866 -0.731 0.443 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.388 0.871 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.498 1.869 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.453 2.805 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.982 2.578 -2.269 1.00 0.00 H new ATOM 201 N ILE A 13 -6.198 -0.939 -1.255 1.00 0.00 N ATOM 202 CA ILE A 13 -5.424 -2.188 -0.929 1.00 0.00 C ATOM 203 C ILE A 13 -4.010 -1.816 -0.451 1.00 0.00 C ATOM 204 O ILE A 13 -3.465 -2.468 0.421 1.00 0.00 O ATOM 205 CB ILE A 13 -5.368 -3.025 -2.220 1.00 0.00 C ATOM 206 CG1 ILE A 13 -6.802 -3.365 -2.665 1.00 0.00 C ATOM 207 CG2 ILE A 13 -4.592 -4.320 -1.962 1.00 0.00 C ATOM 208 CD1 ILE A 13 -6.942 -3.176 -4.180 1.00 0.00 C ATOM 0 H ILE A 13 -6.462 -0.830 -2.234 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.899 -2.756 -0.129 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.866 -2.456 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.040 -4.394 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.514 -2.726 -2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.554 -4.910 -2.878 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.578 -4.079 -1.643 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.091 -4.894 -1.181 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.960 -3.419 -4.484 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.723 -2.140 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -6.242 -3.834 -4.695 1.00 0.00 H new ATOM 220 N VAL A 14 -3.414 -0.770 -0.994 1.00 0.00 N ATOM 221 CA VAL A 14 -2.037 -0.381 -0.522 1.00 0.00 C ATOM 222 C VAL A 14 -2.118 0.075 0.943 1.00 0.00 C ATOM 223 O VAL A 14 -1.272 -0.269 1.747 1.00 0.00 O ATOM 224 CB VAL A 14 -1.560 0.775 -1.420 1.00 0.00 C ATOM 225 CG1 VAL A 14 -0.141 1.185 -1.015 1.00 0.00 C ATOM 226 CG2 VAL A 14 -1.566 0.328 -2.891 1.00 0.00 C ATOM 0 H VAL A 14 -3.811 -0.182 -1.727 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.341 -1.218 -0.582 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.233 1.624 -1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.197 2.003 -1.651 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.139 1.509 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.531 0.334 -1.131 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.228 1.150 -3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.898 -0.524 -3.015 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.577 0.041 -3.180 1.00 0.00 H new ATOM 236 N ALA A 15 -3.136 0.836 1.303 1.00 0.00 N ATOM 237 CA ALA A 15 -3.255 1.288 2.737 1.00 0.00 C ATOM 238 C ALA A 15 -3.404 0.065 3.661 1.00 0.00 C ATOM 239 O ALA A 15 -2.905 0.062 4.771 1.00 0.00 O ATOM 240 CB ALA A 15 -4.510 2.171 2.824 1.00 0.00 C ATOM 0 H ALA A 15 -3.876 1.158 0.679 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.368 1.840 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.637 2.523 3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.400 3.026 2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.384 1.591 2.528 1.00 0.00 H new ATOM 246 N GLU A 16 -4.082 -0.984 3.217 1.00 0.00 N ATOM 247 CA GLU A 16 -4.245 -2.206 4.092 1.00 0.00 C ATOM 248 C GLU A 16 -2.876 -2.683 4.605 1.00 0.00 C ATOM 249 O GLU A 16 -2.754 -3.117 5.736 1.00 0.00 O ATOM 250 CB GLU A 16 -4.878 -3.295 3.208 1.00 0.00 C ATOM 251 CG GLU A 16 -5.227 -4.513 4.064 1.00 0.00 C ATOM 252 CD GLU A 16 -5.235 -5.767 3.188 1.00 0.00 C ATOM 253 OE1 GLU A 16 -4.310 -5.929 2.409 1.00 0.00 O ATOM 254 OE2 GLU A 16 -6.166 -6.546 3.312 1.00 0.00 O ATOM 0 H GLU A 16 -4.523 -1.046 2.299 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.866 -1.984 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.775 -2.909 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.187 -3.581 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.502 -4.624 4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.203 -4.376 4.530 1.00 0.00 H new ATOM 261 N LYS A 17 -1.843 -2.600 3.788 1.00 0.00 N ATOM 262 CA LYS A 17 -0.487 -3.047 4.261 1.00 0.00 C ATOM 263 C LYS A 17 0.180 -1.918 5.062 1.00 0.00 C ATOM 264 O LYS A 17 0.697 -2.146 6.139 1.00 0.00 O ATOM 265 CB LYS A 17 0.334 -3.370 3.005 1.00 0.00 C ATOM 266 CG LYS A 17 1.596 -4.137 3.404 1.00 0.00 C ATOM 267 CD LYS A 17 1.234 -5.592 3.713 1.00 0.00 C ATOM 268 CE LYS A 17 2.128 -6.116 4.840 1.00 0.00 C ATOM 269 NZ LYS A 17 1.303 -5.994 6.073 1.00 0.00 N ATOM 0 H LYS A 17 -1.879 -2.248 2.831 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.559 -3.919 4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.261 -3.964 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.603 -2.450 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.329 -4.097 2.598 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.056 -3.673 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 17 0.186 -5.663 4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.359 -6.206 2.821 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.422 -7.150 4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.046 -5.533 4.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.848 -6.334 6.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.044 -4.998 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.440 -6.565 5.971 1.00 0.00 H new ATOM 283 N LEU A 18 0.164 -0.700 4.556 1.00 0.00 N ATOM 284 CA LEU A 18 0.798 0.434 5.323 1.00 0.00 C ATOM 285 C LEU A 18 0.095 0.594 6.678 1.00 0.00 C ATOM 286 O LEU A 18 0.738 0.693 7.706 1.00 0.00 O ATOM 287 CB LEU A 18 0.600 1.703 4.484 1.00 0.00 C ATOM 288 CG LEU A 18 1.538 1.684 3.282 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.023 2.663 2.225 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.940 2.103 3.728 1.00 0.00 C ATOM 0 H LEU A 18 -0.253 -0.444 3.661 1.00 0.00 H new ATOM 0 HA LEU A 18 1.856 0.245 5.504 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.435 1.769 4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.794 2.586 5.093 1.00 0.00 H new ATOM 0 HG LEU A 18 1.576 0.680 2.860 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.691 2.653 1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.022 2.367 1.912 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.989 3.668 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.613 2.090 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.903 3.109 4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.304 1.408 4.485 1.00 0.00 H new ATOM 302 N ALA A 19 -1.223 0.612 6.690 1.00 0.00 N ATOM 303 CA ALA A 19 -1.956 0.757 7.997 1.00 0.00 C ATOM 304 C ALA A 19 -1.709 -0.475 8.892 1.00 0.00 C ATOM 305 O ALA A 19 -1.787 -0.382 10.103 1.00 0.00 O ATOM 306 CB ALA A 19 -3.453 0.868 7.656 1.00 0.00 C ATOM 0 H ALA A 19 -1.816 0.534 5.864 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.609 1.635 8.541 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.029 0.975 8.575 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.618 1.738 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.774 -0.031 7.130 1.00 0.00 H new ATOM 312 N GLY A 20 -1.419 -1.633 8.317 1.00 0.00 N ATOM 313 CA GLY A 20 -1.183 -2.850 9.154 1.00 0.00 C ATOM 314 C GLY A 20 0.254 -2.867 9.703 1.00 0.00 C ATOM 315 O GLY A 20 0.491 -3.379 10.781 1.00 0.00 O ATOM 0 H GLY A 20 -1.338 -1.778 7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.893 -2.871 9.981 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.360 -3.746 8.559 1.00 0.00 H new ATOM 319 N ILE A 21 1.225 -2.330 8.978 1.00 0.00 N ATOM 320 CA ILE A 21 2.652 -2.347 9.492 1.00 0.00 C ATOM 321 C ILE A 21 2.715 -1.815 10.944 1.00 0.00 C ATOM 322 O ILE A 21 2.030 -0.869 11.276 1.00 0.00 O ATOM 323 CB ILE A 21 3.465 -1.435 8.538 1.00 0.00 C ATOM 324 CG1 ILE A 21 3.610 -2.136 7.183 1.00 0.00 C ATOM 325 CG2 ILE A 21 4.865 -1.154 9.106 1.00 0.00 C ATOM 326 CD1 ILE A 21 3.853 -1.099 6.082 1.00 0.00 C ATOM 0 H ILE A 21 1.096 -1.888 8.068 1.00 0.00 H new ATOM 0 HA ILE A 21 3.055 -3.360 9.509 1.00 0.00 H new ATOM 0 HB ILE A 21 2.937 -0.488 8.427 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.438 -2.844 7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.710 -2.709 6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.415 -0.512 8.418 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.773 -0.656 10.071 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.402 -2.094 9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.955 -1.605 5.122 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.011 -0.408 6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.766 -0.545 6.299 1.00 0.00 H new ATOM 338 N PRO A 22 3.546 -2.435 11.760 1.00 0.00 N ATOM 339 CA PRO A 22 3.681 -1.986 13.165 1.00 0.00 C ATOM 340 C PRO A 22 4.481 -0.677 13.223 1.00 0.00 C ATOM 341 O PRO A 22 5.294 -0.406 12.360 1.00 0.00 O ATOM 342 CB PRO A 22 4.447 -3.121 13.839 1.00 0.00 C ATOM 343 CG PRO A 22 5.205 -3.788 12.737 1.00 0.00 C ATOM 344 CD PRO A 22 4.419 -3.586 11.468 1.00 0.00 C ATOM 0 HA PRO A 22 2.724 -1.787 13.647 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.121 -2.740 14.607 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.768 -3.819 14.329 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.203 -3.360 12.643 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.332 -4.850 12.946 1.00 0.00 H new ATOM 0 HD2 PRO A 22 5.075 -3.383 10.622 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.837 -4.472 11.215 1.00 0.00 H new ATOM 352 N ASN A 23 4.255 0.148 14.227 1.00 0.00 N ATOM 353 CA ASN A 23 4.997 1.447 14.331 1.00 0.00 C ATOM 354 C ASN A 23 4.828 2.293 13.053 1.00 0.00 C ATOM 355 O ASN A 23 5.675 3.110 12.740 1.00 0.00 O ATOM 356 CB ASN A 23 6.469 1.068 14.531 1.00 0.00 C ATOM 357 CG ASN A 23 7.163 2.139 15.381 1.00 0.00 C ATOM 358 OD1 ASN A 23 7.906 1.785 16.402 1.00 0.00 O flip ATOM 359 ND2 ASN A 23 7.028 3.317 15.115 1.00 0.00 N flip ATOM 0 H ASN A 23 3.587 -0.026 14.978 1.00 0.00 H new ATOM 0 HA ASN A 23 4.616 2.052 15.154 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.542 0.097 15.020 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.966 0.977 13.565 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.451 3.598 14.322 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.491 4.025 15.685 1.00 0.00 H new ATOM 366 N PHE A 24 3.743 2.126 12.315 1.00 0.00 N ATOM 367 CA PHE A 24 3.544 2.943 11.080 1.00 0.00 C ATOM 368 C PHE A 24 2.324 3.863 11.259 1.00 0.00 C ATOM 369 O PHE A 24 1.373 3.790 10.502 1.00 0.00 O ATOM 370 CB PHE A 24 3.297 1.928 9.960 1.00 0.00 C ATOM 371 CG PHE A 24 3.673 2.538 8.631 1.00 0.00 C ATOM 372 CD1 PHE A 24 4.995 2.466 8.174 1.00 0.00 C ATOM 373 CD2 PHE A 24 2.699 3.176 7.854 1.00 0.00 C ATOM 374 CE1 PHE A 24 5.341 3.033 6.940 1.00 0.00 C ATOM 375 CE2 PHE A 24 3.045 3.742 6.621 1.00 0.00 C ATOM 376 CZ PHE A 24 4.366 3.670 6.164 1.00 0.00 C ATOM 0 H PHE A 24 2.997 1.462 12.520 1.00 0.00 H new ATOM 0 HA PHE A 24 4.400 3.581 10.859 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.884 1.027 10.137 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.249 1.629 9.951 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.747 1.974 8.772 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.679 3.232 8.206 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.360 2.978 6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.293 4.234 6.023 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.633 4.106 5.213 1.00 0.00 H new ATOM 386 N ASN A 25 2.341 4.730 12.253 1.00 0.00 N ATOM 387 CA ASN A 25 1.173 5.646 12.465 1.00 0.00 C ATOM 388 C ASN A 25 1.523 7.075 12.017 1.00 0.00 C ATOM 389 O ASN A 25 1.113 8.037 12.638 1.00 0.00 O ATOM 390 CB ASN A 25 0.888 5.610 13.970 1.00 0.00 C ATOM 391 CG ASN A 25 -0.590 5.935 14.220 1.00 0.00 C ATOM 392 OD1 ASN A 25 -1.436 5.073 14.099 1.00 0.00 O ATOM 393 ND2 ASN A 25 -0.943 7.150 14.565 1.00 0.00 N ATOM 0 H ASN A 25 3.106 4.840 12.918 1.00 0.00 H new ATOM 0 HA ASN A 25 0.305 5.334 11.884 1.00 0.00 H new ATOM 0 HB2 ASN A 25 1.128 4.626 14.373 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.522 6.330 14.488 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.926 7.368 14.731 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.235 7.877 14.668 1.00 0.00 H new ATOM 400 N GLU A 26 2.270 7.223 10.941 1.00 0.00 N ATOM 401 CA GLU A 26 2.631 8.594 10.461 1.00 0.00 C ATOM 402 C GLU A 26 2.690 8.608 8.926 1.00 0.00 C ATOM 403 O GLU A 26 3.364 7.795 8.323 1.00 0.00 O ATOM 404 CB GLU A 26 4.012 8.881 11.057 1.00 0.00 C ATOM 405 CG GLU A 26 3.884 9.912 12.183 1.00 0.00 C ATOM 406 CD GLU A 26 3.619 9.193 13.507 1.00 0.00 C ATOM 407 OE1 GLU A 26 4.304 8.219 13.778 1.00 0.00 O ATOM 408 OE2 GLU A 26 2.736 9.627 14.228 1.00 0.00 O ATOM 0 H GLU A 26 2.641 6.456 10.381 1.00 0.00 H new ATOM 0 HA GLU A 26 1.901 9.345 10.763 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.451 7.961 11.442 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.682 9.255 10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.797 10.503 12.255 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.072 10.605 11.965 1.00 0.00 H new ATOM 415 N ASP A 27 1.983 9.518 8.280 1.00 0.00 N ATOM 416 CA ASP A 27 1.998 9.569 6.781 1.00 0.00 C ATOM 417 C ASP A 27 1.673 8.180 6.194 1.00 0.00 C ATOM 418 O ASP A 27 2.464 7.614 5.464 1.00 0.00 O ATOM 419 CB ASP A 27 3.418 10.001 6.403 1.00 0.00 C ATOM 420 CG ASP A 27 3.530 11.523 6.494 1.00 0.00 C ATOM 421 OD1 ASP A 27 3.813 12.013 7.575 1.00 0.00 O ATOM 422 OD2 ASP A 27 3.332 12.175 5.481 1.00 0.00 O ATOM 0 H ASP A 27 1.399 10.224 8.729 1.00 0.00 H new ATOM 0 HA ASP A 27 1.251 10.259 6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.142 9.532 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.654 9.668 5.392 1.00 0.00 H new ATOM 427 N ILE A 28 0.522 7.625 6.514 1.00 0.00 N ATOM 428 CA ILE A 28 0.168 6.270 5.974 1.00 0.00 C ATOM 429 C ILE A 28 -0.767 6.407 4.755 1.00 0.00 C ATOM 430 O ILE A 28 -0.621 5.689 3.784 1.00 0.00 O ATOM 431 CB ILE A 28 -0.484 5.509 7.157 1.00 0.00 C ATOM 432 CG1 ILE A 28 -0.506 3.997 6.873 1.00 0.00 C ATOM 433 CG2 ILE A 28 -1.909 6.006 7.435 1.00 0.00 C ATOM 434 CD1 ILE A 28 -1.404 3.671 5.670 1.00 0.00 C ATOM 0 H ILE A 28 -0.181 8.049 7.120 1.00 0.00 H new ATOM 0 HA ILE A 28 1.036 5.721 5.609 1.00 0.00 H new ATOM 0 HB ILE A 28 0.120 5.703 8.043 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.508 3.646 6.679 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.865 3.464 7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.332 5.449 8.271 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.882 7.067 7.683 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.526 5.856 6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.400 2.595 5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.422 4.001 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.028 4.185 4.785 1.00 0.00 H new ATOM 446 N LYS A 29 -1.705 7.327 4.779 1.00 0.00 N ATOM 447 CA LYS A 29 -2.606 7.489 3.585 1.00 0.00 C ATOM 448 C LYS A 29 -1.849 8.231 2.474 1.00 0.00 C ATOM 449 O LYS A 29 -2.007 7.922 1.306 1.00 0.00 O ATOM 450 CB LYS A 29 -3.823 8.302 4.053 1.00 0.00 C ATOM 451 CG LYS A 29 -4.710 7.426 4.939 1.00 0.00 C ATOM 452 CD LYS A 29 -6.090 8.071 5.082 1.00 0.00 C ATOM 453 CE LYS A 29 -6.903 7.311 6.133 1.00 0.00 C ATOM 454 NZ LYS A 29 -8.112 8.149 6.362 1.00 0.00 N ATOM 0 H LYS A 29 -1.886 7.962 5.556 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.925 6.526 3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.495 9.183 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.389 8.658 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -4.806 6.431 4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.252 7.302 5.920 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.986 9.116 5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.611 8.057 4.124 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.173 6.316 5.780 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.334 7.179 7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.721 7.694 7.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.824 9.088 6.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.637 8.252 5.470 1.00 0.00 H new ATOM 468 N TYR A 30 -1.012 9.191 2.819 1.00 0.00 N ATOM 469 CA TYR A 30 -0.238 9.918 1.753 1.00 0.00 C ATOM 470 C TYR A 30 0.873 9.014 1.189 1.00 0.00 C ATOM 471 O TYR A 30 1.223 9.129 0.029 1.00 0.00 O ATOM 472 CB TYR A 30 0.371 11.164 2.416 1.00 0.00 C ATOM 473 CG TYR A 30 -0.735 12.073 2.893 1.00 0.00 C ATOM 474 CD1 TYR A 30 -1.502 12.788 1.965 1.00 0.00 C ATOM 475 CD2 TYR A 30 -0.994 12.201 4.263 1.00 0.00 C ATOM 476 CE1 TYR A 30 -2.528 13.631 2.408 1.00 0.00 C ATOM 477 CE2 TYR A 30 -2.020 13.045 4.705 1.00 0.00 C ATOM 478 CZ TYR A 30 -2.787 13.760 3.778 1.00 0.00 C ATOM 479 OH TYR A 30 -3.798 14.591 4.213 1.00 0.00 O ATOM 0 H TYR A 30 -0.834 9.497 3.775 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.886 10.197 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.002 10.871 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.009 11.691 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -1.302 12.689 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.403 11.649 4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.120 14.182 1.693 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.220 13.144 5.762 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.845 14.564 5.192 1.00 0.00 H new ATOM 489 N VAL A 31 1.428 8.113 1.983 1.00 0.00 N ATOM 490 CA VAL A 31 2.510 7.221 1.435 1.00 0.00 C ATOM 491 C VAL A 31 1.916 6.181 0.457 1.00 0.00 C ATOM 492 O VAL A 31 2.596 5.740 -0.452 1.00 0.00 O ATOM 493 CB VAL A 31 3.215 6.558 2.650 1.00 0.00 C ATOM 494 CG1 VAL A 31 2.418 5.360 3.191 1.00 0.00 C ATOM 495 CG2 VAL A 31 4.611 6.086 2.224 1.00 0.00 C ATOM 0 H VAL A 31 1.185 7.961 2.962 1.00 0.00 H new ATOM 0 HA VAL A 31 3.239 7.790 0.858 1.00 0.00 H new ATOM 0 HB VAL A 31 3.285 7.300 3.446 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.946 4.925 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.431 5.694 3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.312 4.610 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.112 5.619 3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.519 5.362 1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.195 6.940 1.883 1.00 0.00 H new ATOM 505 N ALA A 32 0.659 5.800 0.612 1.00 0.00 N ATOM 506 CA ALA A 32 0.068 4.806 -0.354 1.00 0.00 C ATOM 507 C ALA A 32 -0.175 5.493 -1.705 1.00 0.00 C ATOM 508 O ALA A 32 0.054 4.909 -2.747 1.00 0.00 O ATOM 509 CB ALA A 32 -1.260 4.327 0.253 1.00 0.00 C ATOM 0 H ALA A 32 0.032 6.126 1.347 1.00 0.00 H new ATOM 0 HA ALA A 32 0.737 3.962 -0.520 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.725 3.603 -0.415 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.071 3.860 1.219 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.927 5.179 0.386 1.00 0.00 H new ATOM 515 N GLU A 33 -0.624 6.737 -1.702 1.00 0.00 N ATOM 516 CA GLU A 33 -0.860 7.448 -3.014 1.00 0.00 C ATOM 517 C GLU A 33 0.439 7.461 -3.832 1.00 0.00 C ATOM 518 O GLU A 33 0.424 7.217 -5.024 1.00 0.00 O ATOM 519 CB GLU A 33 -1.288 8.885 -2.672 1.00 0.00 C ATOM 520 CG GLU A 33 -2.733 8.881 -2.171 1.00 0.00 C ATOM 521 CD GLU A 33 -3.402 10.209 -2.530 1.00 0.00 C ATOM 522 OE1 GLU A 33 -2.970 11.226 -2.012 1.00 0.00 O ATOM 523 OE2 GLU A 33 -4.334 10.187 -3.317 1.00 0.00 O ATOM 0 H GLU A 33 -0.834 7.282 -0.865 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.627 6.948 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.629 9.301 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.199 9.522 -3.552 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.282 8.053 -2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.754 8.731 -1.092 1.00 0.00 H new ATOM 530 N TYR A 34 1.563 7.716 -3.197 1.00 0.00 N ATOM 531 CA TYR A 34 2.862 7.706 -3.959 1.00 0.00 C ATOM 532 C TYR A 34 3.154 6.272 -4.417 1.00 0.00 C ATOM 533 O TYR A 34 3.581 6.049 -5.535 1.00 0.00 O ATOM 534 CB TYR A 34 3.952 8.202 -2.987 1.00 0.00 C ATOM 535 CG TYR A 34 5.334 8.176 -3.630 1.00 0.00 C ATOM 536 CD1 TYR A 34 5.499 8.232 -5.029 1.00 0.00 C ATOM 537 CD2 TYR A 34 6.462 8.114 -2.803 1.00 0.00 C ATOM 538 CE1 TYR A 34 6.784 8.223 -5.583 1.00 0.00 C ATOM 539 CE2 TYR A 34 7.745 8.109 -3.360 1.00 0.00 C ATOM 540 CZ TYR A 34 7.907 8.164 -4.750 1.00 0.00 C ATOM 541 OH TYR A 34 9.173 8.164 -5.297 1.00 0.00 O ATOM 0 H TYR A 34 1.640 7.927 -2.202 1.00 0.00 H new ATOM 0 HA TYR A 34 2.826 8.345 -4.841 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.719 9.217 -2.666 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.954 7.578 -2.093 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.634 8.282 -5.673 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.341 8.070 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.909 8.262 -6.655 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.612 8.063 -2.717 1.00 0.00 H new ATOM 0 HH TYR A 34 9.839 8.120 -4.580 1.00 0.00 H new ATOM 551 N ILE A 35 2.902 5.292 -3.570 1.00 0.00 N ATOM 552 CA ILE A 35 3.144 3.863 -3.984 1.00 0.00 C ATOM 553 C ILE A 35 2.246 3.543 -5.193 1.00 0.00 C ATOM 554 O ILE A 35 2.702 2.987 -6.175 1.00 0.00 O ATOM 555 CB ILE A 35 2.789 2.996 -2.757 1.00 0.00 C ATOM 556 CG1 ILE A 35 3.853 3.214 -1.676 1.00 0.00 C ATOM 557 CG2 ILE A 35 2.752 1.512 -3.129 1.00 0.00 C ATOM 558 CD1 ILE A 35 3.300 2.803 -0.309 1.00 0.00 C ATOM 0 H ILE A 35 2.544 5.417 -2.623 1.00 0.00 H new ATOM 0 HA ILE A 35 4.174 3.674 -4.285 1.00 0.00 H new ATOM 0 HB ILE A 35 1.804 3.287 -2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.744 2.630 -1.908 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.154 4.261 -1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.500 0.922 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.001 1.349 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.729 1.206 -3.503 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.062 2.961 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.422 3.406 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.021 1.749 -0.331 1.00 0.00 H new ATOM 570 N VAL A 36 0.984 3.919 -5.141 1.00 0.00 N ATOM 571 CA VAL A 36 0.083 3.656 -6.321 1.00 0.00 C ATOM 572 C VAL A 36 0.610 4.444 -7.528 1.00 0.00 C ATOM 573 O VAL A 36 0.644 3.938 -8.634 1.00 0.00 O ATOM 574 CB VAL A 36 -1.325 4.144 -5.930 1.00 0.00 C ATOM 575 CG1 VAL A 36 -2.290 3.918 -7.098 1.00 0.00 C ATOM 576 CG2 VAL A 36 -1.815 3.364 -4.705 1.00 0.00 C ATOM 0 H VAL A 36 0.544 4.388 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 36 0.055 2.599 -6.584 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.286 5.207 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.286 4.264 -6.820 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.943 4.474 -7.969 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.329 2.855 -7.337 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.811 3.709 -4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.852 2.301 -4.942 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.130 3.527 -3.872 1.00 0.00 H new ATOM 586 N LEU A 37 1.044 5.678 -7.326 1.00 0.00 N ATOM 587 CA LEU A 37 1.594 6.475 -8.484 1.00 0.00 C ATOM 588 C LEU A 37 2.768 5.703 -9.101 1.00 0.00 C ATOM 589 O LEU A 37 2.868 5.581 -10.308 1.00 0.00 O ATOM 590 CB LEU A 37 2.084 7.818 -7.917 1.00 0.00 C ATOM 591 CG LEU A 37 1.919 8.909 -8.976 1.00 0.00 C ATOM 592 CD1 LEU A 37 0.572 9.609 -8.782 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.049 9.932 -8.834 1.00 0.00 C ATOM 0 H LEU A 37 1.041 6.159 -6.427 1.00 0.00 H new ATOM 0 HA LEU A 37 0.840 6.640 -9.253 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.517 8.076 -7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.130 7.740 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 37 1.956 8.460 -9.969 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.454 10.387 -9.537 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.234 8.882 -8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.535 10.058 -7.789 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.932 10.710 -9.588 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.011 10.380 -7.841 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.009 9.435 -8.971 1.00 0.00 H new ATOM 605 N LEU A 38 3.640 5.148 -8.279 1.00 0.00 N ATOM 606 CA LEU A 38 4.783 4.348 -8.843 1.00 0.00 C ATOM 607 C LEU A 38 4.208 3.124 -9.578 1.00 0.00 C ATOM 608 O LEU A 38 4.654 2.769 -10.651 1.00 0.00 O ATOM 609 CB LEU A 38 5.646 3.892 -7.652 1.00 0.00 C ATOM 610 CG LEU A 38 6.268 5.109 -6.968 1.00 0.00 C ATOM 611 CD1 LEU A 38 6.659 4.744 -5.534 1.00 0.00 C ATOM 612 CD2 LEU A 38 7.515 5.544 -7.741 1.00 0.00 C ATOM 0 H LEU A 38 3.610 5.213 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 38 5.381 4.932 -9.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.036 3.336 -6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.429 3.217 -7.996 1.00 0.00 H new ATOM 0 HG LEU A 38 5.546 5.926 -6.951 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.103 5.612 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.772 4.432 -4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.382 3.928 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.960 6.412 -7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.237 4.727 -7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.238 5.803 -8.763 1.00 0.00 H new ATOM 624 N ILE A 39 3.204 2.488 -9.004 1.00 0.00 N ATOM 625 CA ILE A 39 2.579 1.292 -9.678 1.00 0.00 C ATOM 626 C ILE A 39 1.994 1.725 -11.033 1.00 0.00 C ATOM 627 O ILE A 39 2.209 1.076 -12.039 1.00 0.00 O ATOM 628 CB ILE A 39 1.463 0.806 -8.719 1.00 0.00 C ATOM 629 CG1 ILE A 39 2.103 0.230 -7.440 1.00 0.00 C ATOM 630 CG2 ILE A 39 0.572 -0.252 -9.391 1.00 0.00 C ATOM 631 CD1 ILE A 39 2.795 -1.110 -7.732 1.00 0.00 C ATOM 0 H ILE A 39 2.793 2.742 -8.106 1.00 0.00 H new ATOM 0 HA ILE A 39 3.297 0.495 -9.871 1.00 0.00 H new ATOM 0 HB ILE A 39 0.831 1.656 -8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.828 0.939 -7.040 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.338 0.091 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.201 -0.573 -8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.105 0.176 -10.278 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.180 -1.110 -9.679 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.239 -1.497 -6.815 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.062 -1.823 -8.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.575 -0.962 -8.479 1.00 0.00 H new ATOM 643 N VAL A 40 1.268 2.821 -11.066 1.00 0.00 N ATOM 644 CA VAL A 40 0.686 3.288 -12.375 1.00 0.00 C ATOM 645 C VAL A 40 1.820 3.576 -13.378 1.00 0.00 C ATOM 646 O VAL A 40 1.667 3.354 -14.565 1.00 0.00 O ATOM 647 CB VAL A 40 -0.112 4.572 -12.077 1.00 0.00 C ATOM 648 CG1 VAL A 40 -0.716 5.122 -13.374 1.00 0.00 C ATOM 649 CG2 VAL A 40 -1.241 4.255 -11.087 1.00 0.00 C ATOM 0 H VAL A 40 1.054 3.406 -10.258 1.00 0.00 H new ATOM 0 HA VAL A 40 0.040 2.528 -12.815 1.00 0.00 H new ATOM 0 HB VAL A 40 0.557 5.317 -11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.279 6.030 -13.157 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.083 5.351 -14.079 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.382 4.377 -13.810 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.806 5.163 -10.876 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.905 3.507 -11.520 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.815 3.869 -10.161 1.00 0.00 H new ATOM 659 N ASN A 41 2.955 4.069 -12.917 1.00 0.00 N ATOM 660 CA ASN A 41 4.083 4.362 -13.872 1.00 0.00 C ATOM 661 C ASN A 41 4.489 3.091 -14.631 1.00 0.00 C ATOM 662 O ASN A 41 4.814 3.150 -15.803 1.00 0.00 O ATOM 663 CB ASN A 41 5.262 4.874 -13.029 1.00 0.00 C ATOM 664 CG ASN A 41 5.160 6.398 -12.879 1.00 0.00 C ATOM 665 OD1 ASN A 41 5.429 7.126 -13.815 1.00 0.00 O ATOM 666 ND2 ASN A 41 4.779 6.920 -11.738 1.00 0.00 N ATOM 0 H ASN A 41 3.147 4.278 -11.937 1.00 0.00 H new ATOM 0 HA ASN A 41 3.779 5.103 -14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 41 5.254 4.400 -12.048 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.206 4.607 -13.504 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.709 7.933 -11.638 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.552 6.313 -10.950 1.00 0.00 H new ATOM 673 N GLY A 42 4.478 1.941 -13.986 1.00 0.00 N ATOM 674 CA GLY A 42 4.873 0.685 -14.709 1.00 0.00 C ATOM 675 C GLY A 42 4.629 -0.547 -13.824 1.00 0.00 C ATOM 676 O GLY A 42 3.871 -1.429 -14.183 1.00 0.00 O ATOM 0 H GLY A 42 4.217 1.820 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.301 0.595 -15.633 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.925 0.736 -14.989 1.00 0.00 H new ATOM 680 N GLY A 43 5.261 -0.615 -12.672 1.00 0.00 N ATOM 681 CA GLY A 43 5.055 -1.789 -11.776 1.00 0.00 C ATOM 682 C GLY A 43 6.380 -2.539 -11.577 1.00 0.00 C ATOM 683 O GLY A 43 6.465 -3.727 -11.822 1.00 0.00 O ATOM 0 H GLY A 43 5.907 0.092 -12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.667 -1.458 -10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.310 -2.458 -12.206 1.00 0.00 H new ATOM 687 N THR A 44 7.411 -1.864 -11.113 1.00 0.00 N ATOM 688 CA THR A 44 8.717 -2.545 -10.874 1.00 0.00 C ATOM 689 C THR A 44 9.037 -2.476 -9.372 1.00 0.00 C ATOM 690 O THR A 44 9.450 -1.448 -8.876 1.00 0.00 O ATOM 691 CB THR A 44 9.738 -1.746 -11.687 1.00 0.00 C ATOM 692 OG1 THR A 44 9.599 -0.363 -11.391 1.00 0.00 O ATOM 693 CG2 THR A 44 9.495 -1.975 -13.180 1.00 0.00 C ATOM 0 H THR A 44 7.398 -0.869 -10.891 1.00 0.00 H new ATOM 0 HA THR A 44 8.717 -3.595 -11.167 1.00 0.00 H new ATOM 0 HB THR A 44 10.745 -2.074 -11.429 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.253 0.150 -11.910 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.222 -1.406 -13.759 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.601 -3.036 -13.407 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.488 -1.647 -13.439 1.00 0.00 H new ATOM 701 N VAL A 45 8.817 -3.550 -8.636 1.00 0.00 N ATOM 702 CA VAL A 45 9.083 -3.514 -7.144 1.00 0.00 C ATOM 703 C VAL A 45 10.479 -2.938 -6.832 1.00 0.00 C ATOM 704 O VAL A 45 10.656 -2.276 -5.827 1.00 0.00 O ATOM 705 CB VAL A 45 8.970 -4.967 -6.630 1.00 0.00 C ATOM 706 CG1 VAL A 45 9.279 -5.018 -5.128 1.00 0.00 C ATOM 707 CG2 VAL A 45 7.545 -5.479 -6.856 1.00 0.00 C ATOM 0 H VAL A 45 8.470 -4.440 -8.994 1.00 0.00 H new ATOM 0 HA VAL A 45 8.361 -2.864 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 45 9.683 -5.589 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.197 -6.046 -4.774 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.291 -4.653 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.569 -4.391 -4.589 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.465 -6.504 -6.494 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.841 -4.847 -6.315 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.313 -5.451 -7.921 1.00 0.00 H new ATOM 717 N GLU A 46 11.466 -3.175 -7.665 1.00 0.00 N ATOM 718 CA GLU A 46 12.831 -2.616 -7.358 1.00 0.00 C ATOM 719 C GLU A 46 12.822 -1.092 -7.510 1.00 0.00 C ATOM 720 O GLU A 46 13.171 -0.380 -6.587 1.00 0.00 O ATOM 721 CB GLU A 46 13.814 -3.254 -8.351 1.00 0.00 C ATOM 722 CG GLU A 46 15.240 -2.809 -8.017 1.00 0.00 C ATOM 723 CD GLU A 46 15.723 -3.540 -6.763 1.00 0.00 C ATOM 724 OE1 GLU A 46 15.513 -4.740 -6.684 1.00 0.00 O ATOM 725 OE2 GLU A 46 16.294 -2.889 -5.904 1.00 0.00 O ATOM 0 H GLU A 46 11.394 -3.718 -8.526 1.00 0.00 H new ATOM 0 HA GLU A 46 13.125 -2.841 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 46 13.741 -4.341 -8.304 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.560 -2.961 -9.370 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.904 -3.023 -8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.268 -1.731 -7.856 1.00 0.00 H new ATOM 732 N SER A 47 12.407 -0.577 -8.648 1.00 0.00 N ATOM 733 CA SER A 47 12.369 0.920 -8.799 1.00 0.00 C ATOM 734 C SER A 47 11.231 1.496 -7.937 1.00 0.00 C ATOM 735 O SER A 47 11.332 2.605 -7.447 1.00 0.00 O ATOM 736 CB SER A 47 12.136 1.231 -10.287 1.00 0.00 C ATOM 737 OG SER A 47 13.051 2.236 -10.702 1.00 0.00 O ATOM 0 H SER A 47 12.100 -1.112 -9.461 1.00 0.00 H new ATOM 0 HA SER A 47 13.304 1.372 -8.467 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.271 0.330 -10.885 1.00 0.00 H new ATOM 0 HB3 SER A 47 11.111 1.567 -10.445 1.00 0.00 H new ATOM 0 HG SER A 47 12.908 2.437 -11.650 1.00 0.00 H new ATOM 743 N VAL A 48 10.155 0.755 -7.732 1.00 0.00 N ATOM 744 CA VAL A 48 9.039 1.290 -6.881 1.00 0.00 C ATOM 745 C VAL A 48 9.456 1.261 -5.406 1.00 0.00 C ATOM 746 O VAL A 48 9.170 2.187 -4.675 1.00 0.00 O ATOM 747 CB VAL A 48 7.811 0.387 -7.120 1.00 0.00 C ATOM 748 CG1 VAL A 48 6.625 0.878 -6.279 1.00 0.00 C ATOM 749 CG2 VAL A 48 7.421 0.437 -8.601 1.00 0.00 C ATOM 0 H VAL A 48 10.007 -0.180 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 48 8.803 2.322 -7.140 1.00 0.00 H new ATOM 0 HB VAL A 48 8.063 -0.634 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.763 0.234 -6.455 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.891 0.848 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.377 1.901 -6.562 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.553 -0.201 -8.771 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.177 1.462 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.254 0.085 -9.209 1.00 0.00 H new ATOM 759 N VAL A 49 10.143 0.228 -4.959 1.00 0.00 N ATOM 760 CA VAL A 49 10.567 0.209 -3.513 1.00 0.00 C ATOM 761 C VAL A 49 11.678 1.253 -3.302 1.00 0.00 C ATOM 762 O VAL A 49 11.709 1.925 -2.287 1.00 0.00 O ATOM 763 CB VAL A 49 11.061 -1.222 -3.204 1.00 0.00 C ATOM 764 CG1 VAL A 49 11.708 -1.277 -1.814 1.00 0.00 C ATOM 765 CG2 VAL A 49 9.866 -2.178 -3.229 1.00 0.00 C ATOM 0 H VAL A 49 10.422 -0.581 -5.514 1.00 0.00 H new ATOM 0 HA VAL A 49 9.747 0.463 -2.841 1.00 0.00 H new ATOM 0 HB VAL A 49 11.798 -1.511 -3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 49 12.051 -2.292 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 49 12.557 -0.594 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.977 -0.984 -1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.206 -3.191 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.138 -1.870 -2.478 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.402 -2.155 -4.215 1.00 0.00 H new ATOM 775 N ASP A 50 12.578 1.413 -4.253 1.00 0.00 N ATOM 776 CA ASP A 50 13.663 2.444 -4.082 1.00 0.00 C ATOM 777 C ASP A 50 13.039 3.838 -3.888 1.00 0.00 C ATOM 778 O ASP A 50 13.565 4.654 -3.152 1.00 0.00 O ATOM 779 CB ASP A 50 14.509 2.418 -5.365 1.00 0.00 C ATOM 780 CG ASP A 50 15.768 3.265 -5.166 1.00 0.00 C ATOM 781 OD1 ASP A 50 15.645 4.479 -5.154 1.00 0.00 O ATOM 782 OD2 ASP A 50 16.832 2.686 -5.025 1.00 0.00 O ATOM 0 H ASP A 50 12.609 0.885 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 50 14.275 2.227 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.784 1.392 -5.611 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.928 2.802 -6.204 1.00 0.00 H new ATOM 787 N GLU A 51 11.924 4.123 -4.536 1.00 0.00 N ATOM 788 CA GLU A 51 11.291 5.481 -4.364 1.00 0.00 C ATOM 789 C GLU A 51 10.801 5.665 -2.922 1.00 0.00 C ATOM 790 O GLU A 51 10.951 6.730 -2.351 1.00 0.00 O ATOM 791 CB GLU A 51 10.106 5.562 -5.344 1.00 0.00 C ATOM 792 CG GLU A 51 10.536 6.316 -6.603 1.00 0.00 C ATOM 793 CD GLU A 51 11.056 5.324 -7.645 1.00 0.00 C ATOM 794 OE1 GLU A 51 12.208 4.934 -7.540 1.00 0.00 O ATOM 795 OE2 GLU A 51 10.294 4.970 -8.529 1.00 0.00 O ATOM 0 H GLU A 51 11.433 3.487 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 51 12.016 6.269 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.767 4.559 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.265 6.070 -4.873 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.694 6.876 -7.009 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.312 7.041 -6.357 1.00 0.00 H new ATOM 802 N LEU A 52 10.232 4.642 -2.318 1.00 0.00 N ATOM 803 CA LEU A 52 9.761 4.798 -0.898 1.00 0.00 C ATOM 804 C LEU A 52 10.982 4.848 0.022 1.00 0.00 C ATOM 805 O LEU A 52 11.041 5.649 0.929 1.00 0.00 O ATOM 806 CB LEU A 52 8.888 3.574 -0.548 1.00 0.00 C ATOM 807 CG LEU A 52 7.454 3.734 -1.084 1.00 0.00 C ATOM 808 CD1 LEU A 52 6.830 5.044 -0.588 1.00 0.00 C ATOM 809 CD2 LEU A 52 7.474 3.721 -2.611 1.00 0.00 C ATOM 0 H LEU A 52 10.076 3.725 -2.736 1.00 0.00 H new ATOM 0 HA LEU A 52 9.183 5.714 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.336 2.674 -0.968 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.861 3.442 0.534 1.00 0.00 H new ATOM 0 HG LEU A 52 6.852 2.903 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.817 5.135 -0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.799 5.043 0.502 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.430 5.886 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.458 3.834 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.090 4.544 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 52 7.888 2.776 -2.961 1.00 0.00 H new ATOM 821 N ALA A 53 11.968 4.006 -0.213 1.00 0.00 N ATOM 822 CA ALA A 53 13.193 4.037 0.661 1.00 0.00 C ATOM 823 C ALA A 53 13.875 5.410 0.550 1.00 0.00 C ATOM 824 O ALA A 53 14.377 5.933 1.527 1.00 0.00 O ATOM 825 CB ALA A 53 14.135 2.933 0.153 1.00 0.00 C ATOM 0 H ALA A 53 11.979 3.310 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 53 12.935 3.872 1.707 1.00 0.00 H new ATOM 0 HB1 ALA A 53 15.040 2.919 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.635 1.967 0.224 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.398 3.129 -0.886 1.00 0.00 H new ATOM 831 N SER A 54 13.892 6.006 -0.628 1.00 0.00 N ATOM 832 CA SER A 54 14.546 7.360 -0.768 1.00 0.00 C ATOM 833 C SER A 54 13.892 8.375 0.187 1.00 0.00 C ATOM 834 O SER A 54 14.556 9.251 0.709 1.00 0.00 O ATOM 835 CB SER A 54 14.342 7.803 -2.225 1.00 0.00 C ATOM 836 OG SER A 54 12.988 8.193 -2.412 1.00 0.00 O ATOM 0 H SER A 54 13.490 5.623 -1.484 1.00 0.00 H new ATOM 0 HA SER A 54 15.605 7.305 -0.516 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.008 8.633 -2.461 1.00 0.00 H new ATOM 0 HB3 SER A 54 14.595 6.988 -2.904 1.00 0.00 H new ATOM 0 HG SER A 54 12.395 7.483 -2.089 1.00 0.00 H new ATOM 842 N LEU A 55 12.599 8.267 0.425 1.00 0.00 N ATOM 843 CA LEU A 55 11.926 9.238 1.354 1.00 0.00 C ATOM 844 C LEU A 55 11.730 8.607 2.742 1.00 0.00 C ATOM 845 O LEU A 55 11.959 9.245 3.753 1.00 0.00 O ATOM 846 CB LEU A 55 10.570 9.560 0.716 1.00 0.00 C ATOM 847 CG LEU A 55 10.747 10.649 -0.343 1.00 0.00 C ATOM 848 CD1 LEU A 55 9.478 10.746 -1.192 1.00 0.00 C ATOM 849 CD2 LEU A 55 11.003 11.992 0.346 1.00 0.00 C ATOM 0 H LEU A 55 11.989 7.557 0.021 1.00 0.00 H new ATOM 0 HA LEU A 55 12.526 10.137 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 55 10.148 8.663 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.867 9.892 1.480 1.00 0.00 H new ATOM 0 HG LEU A 55 11.594 10.400 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 55 9.604 11.522 -1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.294 9.790 -1.682 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.631 10.995 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.129 12.769 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.156 12.240 0.985 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.907 11.924 0.952 1.00 0.00 H new ATOM 861 N PHE A 56 11.315 7.362 2.800 1.00 0.00 N ATOM 862 CA PHE A 56 11.112 6.695 4.124 1.00 0.00 C ATOM 863 C PHE A 56 12.252 5.698 4.375 1.00 0.00 C ATOM 864 O PHE A 56 12.072 4.501 4.249 1.00 0.00 O ATOM 865 CB PHE A 56 9.763 5.961 4.027 1.00 0.00 C ATOM 866 CG PHE A 56 8.675 6.932 3.631 1.00 0.00 C ATOM 867 CD1 PHE A 56 8.275 7.939 4.519 1.00 0.00 C ATOM 868 CD2 PHE A 56 8.074 6.833 2.371 1.00 0.00 C ATOM 869 CE1 PHE A 56 7.273 8.843 4.147 1.00 0.00 C ATOM 870 CE2 PHE A 56 7.074 7.737 1.998 1.00 0.00 C ATOM 871 CZ PHE A 56 6.673 8.742 2.885 1.00 0.00 C ATOM 0 H PHE A 56 11.109 6.781 1.987 1.00 0.00 H new ATOM 0 HA PHE A 56 11.110 7.409 4.947 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.829 5.157 3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.520 5.500 4.985 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.740 8.018 5.491 1.00 0.00 H new ATOM 0 HD2 PHE A 56 8.383 6.057 1.686 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.963 9.618 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 56 6.611 7.659 1.025 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.901 9.440 2.597 1.00 0.00 H new ATOM 881 N ASP A 57 13.426 6.178 4.735 1.00 0.00 N ATOM 882 CA ASP A 57 14.568 5.239 4.998 1.00 0.00 C ATOM 883 C ASP A 57 14.747 4.987 6.514 1.00 0.00 C ATOM 884 O ASP A 57 15.836 4.678 6.960 1.00 0.00 O ATOM 885 CB ASP A 57 15.822 5.908 4.399 1.00 0.00 C ATOM 886 CG ASP A 57 16.166 7.195 5.162 1.00 0.00 C ATOM 887 OD1 ASP A 57 16.758 7.091 6.224 1.00 0.00 O ATOM 888 OD2 ASP A 57 15.829 8.260 4.671 1.00 0.00 O ATOM 0 H ASP A 57 13.639 7.168 4.856 1.00 0.00 H new ATOM 0 HA ASP A 57 14.385 4.264 4.545 1.00 0.00 H new ATOM 0 HB2 ASP A 57 16.664 5.218 4.442 1.00 0.00 H new ATOM 0 HB3 ASP A 57 15.651 6.137 3.347 1.00 0.00 H new ATOM 893 N SER A 58 13.696 5.102 7.305 1.00 0.00 N ATOM 894 CA SER A 58 13.839 4.849 8.780 1.00 0.00 C ATOM 895 C SER A 58 13.422 3.406 9.123 1.00 0.00 C ATOM 896 O SER A 58 13.995 2.792 10.003 1.00 0.00 O ATOM 897 CB SER A 58 12.914 5.855 9.475 1.00 0.00 C ATOM 898 OG SER A 58 12.582 5.370 10.769 1.00 0.00 O ATOM 0 H SER A 58 12.758 5.357 6.996 1.00 0.00 H new ATOM 0 HA SER A 58 14.872 4.969 9.105 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.405 6.825 9.552 1.00 0.00 H new ATOM 0 HB3 SER A 58 12.009 6.002 8.886 1.00 0.00 H new ATOM 0 HG SER A 58 11.992 6.011 11.217 1.00 0.00 H new ATOM 904 N VAL A 59 12.438 2.855 8.438 1.00 0.00 N ATOM 905 CA VAL A 59 12.013 1.446 8.744 1.00 0.00 C ATOM 906 C VAL A 59 12.760 0.452 7.839 1.00 0.00 C ATOM 907 O VAL A 59 13.211 0.804 6.765 1.00 0.00 O ATOM 908 CB VAL A 59 10.489 1.382 8.508 1.00 0.00 C ATOM 909 CG1 VAL A 59 10.148 1.616 7.027 1.00 0.00 C ATOM 910 CG2 VAL A 59 9.974 0.003 8.928 1.00 0.00 C ATOM 0 H VAL A 59 11.918 3.315 7.690 1.00 0.00 H new ATOM 0 HA VAL A 59 12.251 1.174 9.772 1.00 0.00 H new ATOM 0 HB VAL A 59 10.014 2.164 9.101 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.068 1.565 6.890 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.507 2.599 6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.627 0.850 6.418 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.898 -0.049 8.764 1.00 0.00 H new ATOM 0 HG22 VAL A 59 10.469 -0.766 8.335 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.188 -0.159 9.984 1.00 0.00 H new ATOM 920 N SER A 60 12.905 -0.785 8.269 1.00 0.00 N ATOM 921 CA SER A 60 13.642 -1.798 7.423 1.00 0.00 C ATOM 922 C SER A 60 13.046 -1.866 6.004 1.00 0.00 C ATOM 923 O SER A 60 11.850 -1.746 5.823 1.00 0.00 O ATOM 924 CB SER A 60 13.480 -3.156 8.122 1.00 0.00 C ATOM 925 OG SER A 60 14.442 -3.266 9.162 1.00 0.00 O ATOM 0 H SER A 60 12.551 -1.137 9.158 1.00 0.00 H new ATOM 0 HA SER A 60 14.692 -1.521 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.474 -3.250 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.610 -3.966 7.404 1.00 0.00 H new ATOM 0 HG SER A 60 14.340 -4.131 9.611 1.00 0.00 H new ATOM 931 N ARG A 61 13.875 -2.066 4.994 1.00 0.00 N ATOM 932 CA ARG A 61 13.345 -2.147 3.580 1.00 0.00 C ATOM 933 C ARG A 61 12.214 -3.185 3.476 1.00 0.00 C ATOM 934 O ARG A 61 11.295 -3.021 2.694 1.00 0.00 O ATOM 935 CB ARG A 61 14.526 -2.574 2.691 1.00 0.00 C ATOM 936 CG ARG A 61 15.573 -1.456 2.659 1.00 0.00 C ATOM 937 CD ARG A 61 16.189 -1.370 1.260 1.00 0.00 C ATOM 938 NE ARG A 61 17.361 -2.288 1.300 1.00 0.00 N ATOM 939 CZ ARG A 61 18.565 -1.803 1.434 1.00 0.00 C ATOM 940 NH1 ARG A 61 19.075 -1.054 0.495 1.00 0.00 N ATOM 941 NH2 ARG A 61 19.259 -2.069 2.507 1.00 0.00 N ATOM 0 H ARG A 61 14.885 -2.176 5.085 1.00 0.00 H new ATOM 0 HA ARG A 61 12.935 -1.186 3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.971 -3.492 3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 61 14.176 -2.788 1.681 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.112 -0.504 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 61 16.350 -1.650 3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 61 15.475 -1.674 0.495 1.00 0.00 H new ATOM 0 HD3 ARG A 61 16.494 -0.350 1.025 1.00 0.00 H new ATOM 0 HE ARG A 61 17.223 -3.296 1.223 1.00 0.00 H new ATOM 0 HH11 ARG A 61 18.533 -0.848 -0.344 1.00 0.00 H new ATOM 0 HH12 ARG A 61 20.016 -0.675 0.600 1.00 0.00 H new ATOM 0 HH21 ARG A 61 18.860 -2.656 3.240 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.200 -1.690 2.613 1.00 0.00 H new ATOM 955 N ASP A 62 12.266 -4.251 4.251 1.00 0.00 N ATOM 956 CA ASP A 62 11.173 -5.288 4.172 1.00 0.00 C ATOM 957 C ASP A 62 9.799 -4.641 4.413 1.00 0.00 C ATOM 958 O ASP A 62 8.825 -5.001 3.780 1.00 0.00 O ATOM 959 CB ASP A 62 11.465 -6.328 5.266 1.00 0.00 C ATOM 960 CG ASP A 62 12.478 -7.348 4.744 1.00 0.00 C ATOM 961 OD1 ASP A 62 12.393 -7.695 3.577 1.00 0.00 O ATOM 962 OD2 ASP A 62 13.322 -7.766 5.520 1.00 0.00 O ATOM 0 H ASP A 62 13.006 -4.447 4.925 1.00 0.00 H new ATOM 0 HA ASP A 62 11.151 -5.751 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.855 -5.835 6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.544 -6.832 5.559 1.00 0.00 H new ATOM 967 N THR A 63 9.713 -3.686 5.315 1.00 0.00 N ATOM 968 CA THR A 63 8.382 -3.025 5.570 1.00 0.00 C ATOM 969 C THR A 63 7.954 -2.239 4.324 1.00 0.00 C ATOM 970 O THR A 63 6.804 -2.285 3.926 1.00 0.00 O ATOM 971 CB THR A 63 8.576 -2.073 6.769 1.00 0.00 C ATOM 972 OG1 THR A 63 9.011 -2.812 7.917 1.00 0.00 O ATOM 973 CG2 THR A 63 7.256 -1.350 7.075 1.00 0.00 C ATOM 0 H THR A 63 10.490 -3.339 5.877 1.00 0.00 H new ATOM 0 HA THR A 63 7.606 -3.759 5.787 1.00 0.00 H new ATOM 0 HB THR A 63 9.337 -1.334 6.519 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.690 -2.370 8.731 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.397 -0.679 7.922 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.946 -0.774 6.203 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.487 -2.084 7.317 1.00 0.00 H new ATOM 981 N LEU A 64 8.866 -1.528 3.699 1.00 0.00 N ATOM 982 CA LEU A 64 8.484 -0.756 2.465 1.00 0.00 C ATOM 983 C LEU A 64 8.193 -1.746 1.332 1.00 0.00 C ATOM 984 O LEU A 64 7.221 -1.604 0.613 1.00 0.00 O ATOM 985 CB LEU A 64 9.680 0.142 2.101 1.00 0.00 C ATOM 986 CG LEU A 64 10.055 1.033 3.302 1.00 0.00 C ATOM 987 CD1 LEU A 64 11.489 0.733 3.745 1.00 0.00 C ATOM 988 CD2 LEU A 64 9.956 2.510 2.903 1.00 0.00 C ATOM 0 H LEU A 64 9.843 -1.448 3.982 1.00 0.00 H new ATOM 0 HA LEU A 64 7.595 -0.147 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.533 -0.473 1.814 1.00 0.00 H new ATOM 0 HB3 LEU A 64 9.430 0.763 1.241 1.00 0.00 H new ATOM 0 HG LEU A 64 9.367 0.826 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.748 1.366 4.594 1.00 0.00 H new ATOM 0 HD12 LEU A 64 11.568 -0.314 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 64 12.174 0.934 2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.222 3.136 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.640 2.711 2.078 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.936 2.735 2.592 1.00 0.00 H new ATOM 1000 N ALA A 65 9.018 -2.759 1.177 1.00 0.00 N ATOM 1001 CA ALA A 65 8.759 -3.770 0.090 1.00 0.00 C ATOM 1002 C ALA A 65 7.406 -4.463 0.331 1.00 0.00 C ATOM 1003 O ALA A 65 6.698 -4.780 -0.605 1.00 0.00 O ATOM 1004 CB ALA A 65 9.899 -4.798 0.155 1.00 0.00 C ATOM 0 H ALA A 65 9.848 -2.930 1.745 1.00 0.00 H new ATOM 0 HA ALA A 65 8.722 -3.293 -0.889 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.753 -5.553 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.852 -4.295 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.902 -5.277 1.134 1.00 0.00 H new ATOM 1010 N ASN A 66 7.038 -4.700 1.577 1.00 0.00 N ATOM 1011 CA ASN A 66 5.718 -5.376 1.848 1.00 0.00 C ATOM 1012 C ASN A 66 4.562 -4.544 1.270 1.00 0.00 C ATOM 1013 O ASN A 66 3.608 -5.092 0.751 1.00 0.00 O ATOM 1014 CB ASN A 66 5.578 -5.488 3.375 1.00 0.00 C ATOM 1015 CG ASN A 66 6.397 -6.683 3.878 1.00 0.00 C ATOM 1016 OD1 ASN A 66 7.409 -7.022 3.298 1.00 0.00 O ATOM 1017 ND2 ASN A 66 6.004 -7.344 4.940 1.00 0.00 N ATOM 0 H ASN A 66 7.584 -4.459 2.404 1.00 0.00 H new ATOM 0 HA ASN A 66 5.683 -6.359 1.379 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.924 -4.570 3.851 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.530 -5.612 3.647 1.00 0.00 H new ATOM 0 HD21 ASN A 66 6.547 -8.139 5.276 1.00 0.00 H new ATOM 0 HD22 ASN A 66 5.155 -7.063 5.430 1.00 0.00 H new ATOM 1024 N VAL A 67 4.634 -3.227 1.345 1.00 0.00 N ATOM 1025 CA VAL A 67 3.513 -2.395 0.778 1.00 0.00 C ATOM 1026 C VAL A 67 3.561 -2.441 -0.759 1.00 0.00 C ATOM 1027 O VAL A 67 2.533 -2.512 -1.408 1.00 0.00 O ATOM 1028 CB VAL A 67 3.711 -0.961 1.297 1.00 0.00 C ATOM 1029 CG1 VAL A 67 2.618 -0.049 0.732 1.00 0.00 C ATOM 1030 CG2 VAL A 67 3.624 -0.962 2.827 1.00 0.00 C ATOM 0 H VAL A 67 5.402 -2.703 1.764 1.00 0.00 H new ATOM 0 HA VAL A 67 2.538 -2.773 1.086 1.00 0.00 H new ATOM 0 HB VAL A 67 4.687 -0.594 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.763 0.966 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.671 -0.048 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.641 -0.414 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.764 0.053 3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.646 -1.331 3.136 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.401 -1.609 3.235 1.00 0.00 H new ATOM 1040 N VAL A 68 4.738 -2.426 -1.353 1.00 0.00 N ATOM 1041 CA VAL A 68 4.806 -2.503 -2.855 1.00 0.00 C ATOM 1042 C VAL A 68 4.391 -3.915 -3.308 1.00 0.00 C ATOM 1043 O VAL A 68 3.761 -4.073 -4.338 1.00 0.00 O ATOM 1044 CB VAL A 68 6.263 -2.213 -3.254 1.00 0.00 C ATOM 1045 CG1 VAL A 68 6.399 -2.266 -4.780 1.00 0.00 C ATOM 1046 CG2 VAL A 68 6.657 -0.818 -2.758 1.00 0.00 C ATOM 0 H VAL A 68 5.637 -2.365 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 68 4.135 -1.785 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 68 6.917 -2.961 -2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.432 -2.060 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.117 -3.257 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.745 -1.519 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.689 -0.610 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.001 -0.073 -3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.562 -0.777 -1.673 1.00 0.00 H new ATOM 1056 N GLN A 69 4.728 -4.946 -2.549 1.00 0.00 N ATOM 1057 CA GLN A 69 4.328 -6.337 -2.965 1.00 0.00 C ATOM 1058 C GLN A 69 2.798 -6.465 -2.964 1.00 0.00 C ATOM 1059 O GLN A 69 2.229 -7.068 -3.855 1.00 0.00 O ATOM 1060 CB GLN A 69 4.943 -7.305 -1.941 1.00 0.00 C ATOM 1061 CG GLN A 69 4.820 -8.740 -2.458 1.00 0.00 C ATOM 1062 CD GLN A 69 4.614 -9.694 -1.275 1.00 0.00 C ATOM 1063 OE1 GLN A 69 3.526 -9.780 -0.739 1.00 0.00 O ATOM 1064 NE2 GLN A 69 5.612 -10.421 -0.839 1.00 0.00 N ATOM 0 H GLN A 69 5.253 -4.884 -1.676 1.00 0.00 H new ATOM 0 HA GLN A 69 4.681 -6.562 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.991 -7.056 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.435 -7.208 -0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.983 -8.817 -3.151 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.718 -9.017 -3.010 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.526 -10.352 -1.286 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.475 -11.056 -0.053 1.00 0.00 H new ATOM 1073 N THR A 70 2.122 -5.897 -1.984 1.00 0.00 N ATOM 1074 CA THR A 70 0.618 -6.002 -1.971 1.00 0.00 C ATOM 1075 C THR A 70 0.013 -5.168 -3.116 1.00 0.00 C ATOM 1076 O THR A 70 -1.026 -5.516 -3.646 1.00 0.00 O ATOM 1077 CB THR A 70 0.126 -5.505 -0.595 1.00 0.00 C ATOM 1078 OG1 THR A 70 -1.287 -5.644 -0.527 1.00 0.00 O ATOM 1079 CG2 THR A 70 0.498 -4.036 -0.384 1.00 0.00 C ATOM 0 H THR A 70 2.534 -5.377 -1.209 1.00 0.00 H new ATOM 0 HA THR A 70 0.302 -7.034 -2.125 1.00 0.00 H new ATOM 0 HB THR A 70 0.603 -6.101 0.183 1.00 0.00 H new ATOM 0 HG1 THR A 70 -1.605 -5.331 0.346 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.141 -3.707 0.592 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.581 -3.925 -0.431 1.00 0.00 H new ATOM 0 HG23 THR A 70 0.037 -3.428 -1.163 1.00 0.00 H new ATOM 1087 N ALA A 71 0.655 -4.087 -3.529 1.00 0.00 N ATOM 1088 CA ALA A 71 0.090 -3.280 -4.668 1.00 0.00 C ATOM 1089 C ALA A 71 0.233 -4.072 -5.979 1.00 0.00 C ATOM 1090 O ALA A 71 -0.620 -3.995 -6.844 1.00 0.00 O ATOM 1091 CB ALA A 71 0.902 -1.977 -4.749 1.00 0.00 C ATOM 0 H ALA A 71 1.528 -3.737 -3.134 1.00 0.00 H new ATOM 0 HA ALA A 71 -0.967 -3.064 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.523 -1.362 -5.565 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.809 -1.431 -3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.951 -2.213 -4.930 1.00 0.00 H new ATOM 1097 N PHE A 72 1.294 -4.849 -6.134 1.00 0.00 N ATOM 1098 CA PHE A 72 1.448 -5.649 -7.399 1.00 0.00 C ATOM 1099 C PHE A 72 0.358 -6.727 -7.435 1.00 0.00 C ATOM 1100 O PHE A 72 -0.345 -6.869 -8.419 1.00 0.00 O ATOM 1101 CB PHE A 72 2.839 -6.305 -7.346 1.00 0.00 C ATOM 1102 CG PHE A 72 3.891 -5.343 -7.853 1.00 0.00 C ATOM 1103 CD1 PHE A 72 3.997 -4.054 -7.309 1.00 0.00 C ATOM 1104 CD2 PHE A 72 4.771 -5.746 -8.865 1.00 0.00 C ATOM 1105 CE1 PHE A 72 4.978 -3.176 -7.778 1.00 0.00 C ATOM 1106 CE2 PHE A 72 5.753 -4.866 -9.331 1.00 0.00 C ATOM 1107 CZ PHE A 72 5.855 -3.580 -8.786 1.00 0.00 C ATOM 0 H PHE A 72 2.044 -4.960 -5.451 1.00 0.00 H new ATOM 0 HA PHE A 72 1.353 -5.025 -8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.070 -6.602 -6.323 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.844 -7.212 -7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.320 -3.740 -6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.691 -6.737 -9.286 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.058 -2.183 -7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.432 -5.178 -10.111 1.00 0.00 H new ATOM 0 HZ PHE A 72 6.613 -2.900 -9.146 1.00 0.00 H new ATOM 1117 N PHE A 73 0.194 -7.474 -6.359 1.00 0.00 N ATOM 1118 CA PHE A 73 -0.882 -8.527 -6.344 1.00 0.00 C ATOM 1119 C PHE A 73 -2.252 -7.853 -6.521 1.00 0.00 C ATOM 1120 O PHE A 73 -3.107 -8.360 -7.224 1.00 0.00 O ATOM 1121 CB PHE A 73 -0.806 -9.222 -4.974 1.00 0.00 C ATOM 1122 CG PHE A 73 0.187 -10.357 -5.039 1.00 0.00 C ATOM 1123 CD1 PHE A 73 -0.010 -11.408 -5.943 1.00 0.00 C ATOM 1124 CD2 PHE A 73 1.306 -10.359 -4.197 1.00 0.00 C ATOM 1125 CE1 PHE A 73 0.910 -12.461 -6.004 1.00 0.00 C ATOM 1126 CE2 PHE A 73 2.226 -11.411 -4.258 1.00 0.00 C ATOM 1127 CZ PHE A 73 2.029 -12.462 -5.161 1.00 0.00 C ATOM 0 H PHE A 73 0.748 -7.402 -5.506 1.00 0.00 H new ATOM 0 HA PHE A 73 -0.748 -9.249 -7.150 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.507 -8.507 -4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.788 -9.600 -4.691 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.872 -11.406 -6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.459 -9.548 -3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.757 -13.272 -6.700 1.00 0.00 H new ATOM 0 HE2 PHE A 73 3.089 -11.412 -3.608 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.740 -13.274 -5.208 1.00 0.00 H new ATOM 1137 N ALA A 74 -2.466 -6.707 -5.900 1.00 0.00 N ATOM 1138 CA ALA A 74 -3.792 -6.008 -6.059 1.00 0.00 C ATOM 1139 C ALA A 74 -4.050 -5.701 -7.541 1.00 0.00 C ATOM 1140 O ALA A 74 -5.165 -5.818 -8.013 1.00 0.00 O ATOM 1141 CB ALA A 74 -3.707 -4.700 -5.255 1.00 0.00 C ATOM 0 H ALA A 74 -1.791 -6.233 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.609 -6.633 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.649 -4.158 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.515 -4.929 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.897 -4.084 -5.646 1.00 0.00 H new ATOM 1147 N LEU A 75 -3.030 -5.312 -8.287 1.00 0.00 N ATOM 1148 CA LEU A 75 -3.254 -5.008 -9.750 1.00 0.00 C ATOM 1149 C LEU A 75 -3.856 -6.235 -10.453 1.00 0.00 C ATOM 1150 O LEU A 75 -4.746 -6.105 -11.273 1.00 0.00 O ATOM 1151 CB LEU A 75 -1.879 -4.667 -10.367 1.00 0.00 C ATOM 1152 CG LEU A 75 -1.714 -3.145 -10.505 1.00 0.00 C ATOM 1153 CD1 LEU A 75 -2.824 -2.572 -11.394 1.00 0.00 C ATOM 1154 CD2 LEU A 75 -1.773 -2.492 -9.120 1.00 0.00 C ATOM 0 H LEU A 75 -2.073 -5.194 -7.956 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.946 -4.174 -9.869 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.083 -5.070 -9.741 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.785 -5.139 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.748 -2.934 -10.964 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.697 -1.493 -11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.770 -3.028 -12.383 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.795 -2.787 -10.948 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.656 -1.413 -9.221 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.734 -2.711 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.971 -2.887 -8.497 1.00 0.00 H new ATOM 1166 N GLU A 76 -3.391 -7.423 -10.130 1.00 0.00 N ATOM 1167 CA GLU A 76 -3.973 -8.648 -10.784 1.00 0.00 C ATOM 1168 C GLU A 76 -5.397 -8.877 -10.260 1.00 0.00 C ATOM 1169 O GLU A 76 -6.291 -9.209 -11.015 1.00 0.00 O ATOM 1170 CB GLU A 76 -3.065 -9.830 -10.408 1.00 0.00 C ATOM 1171 CG GLU A 76 -1.904 -9.919 -11.400 1.00 0.00 C ATOM 1172 CD GLU A 76 -1.304 -11.326 -11.360 1.00 0.00 C ATOM 1173 OE1 GLU A 76 -0.816 -11.710 -10.311 1.00 0.00 O ATOM 1174 OE2 GLU A 76 -1.344 -11.995 -12.379 1.00 0.00 O ATOM 0 H GLU A 76 -2.647 -7.598 -9.454 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.025 -8.537 -11.867 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.683 -9.701 -9.395 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.636 -10.758 -10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.254 -9.690 -12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.142 -9.180 -11.151 1.00 0.00 H new ATOM 1181 N ALA A 77 -5.620 -8.688 -8.976 1.00 0.00 N ATOM 1182 CA ALA A 77 -7.007 -8.883 -8.425 1.00 0.00 C ATOM 1183 C ALA A 77 -7.953 -7.819 -9.001 1.00 0.00 C ATOM 1184 O ALA A 77 -9.101 -8.103 -9.290 1.00 0.00 O ATOM 1185 CB ALA A 77 -6.908 -8.738 -6.898 1.00 0.00 C ATOM 0 H ALA A 77 -4.914 -8.411 -8.294 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.402 -9.862 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.895 -8.872 -6.455 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.228 -9.493 -6.504 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.531 -7.746 -6.650 1.00 0.00 H new ATOM 1191 N LEU A 78 -7.486 -6.598 -9.181 1.00 0.00 N ATOM 1192 CA LEU A 78 -8.393 -5.537 -9.757 1.00 0.00 C ATOM 1193 C LEU A 78 -8.761 -5.911 -11.202 1.00 0.00 C ATOM 1194 O LEU A 78 -9.894 -5.743 -11.616 1.00 0.00 O ATOM 1195 CB LEU A 78 -7.622 -4.196 -9.730 1.00 0.00 C ATOM 1196 CG LEU A 78 -8.370 -3.189 -8.853 1.00 0.00 C ATOM 1197 CD1 LEU A 78 -7.366 -2.261 -8.167 1.00 0.00 C ATOM 1198 CD2 LEU A 78 -9.315 -2.359 -9.726 1.00 0.00 C ATOM 0 H LEU A 78 -6.538 -6.293 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.313 -5.452 -9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.615 -4.352 -9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.518 -3.805 -10.742 1.00 0.00 H new ATOM 0 HG LEU A 78 -8.945 -3.723 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.900 -1.545 -7.543 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.691 -2.850 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.790 -1.726 -8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.849 -1.641 -9.103 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.738 -1.826 -10.482 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -10.032 -3.019 -10.215 1.00 0.00 H new ATOM 1210 N GLN A 79 -7.820 -6.421 -11.975 1.00 0.00 N ATOM 1211 CA GLN A 79 -8.148 -6.802 -13.396 1.00 0.00 C ATOM 1212 C GLN A 79 -9.273 -7.853 -13.429 1.00 0.00 C ATOM 1213 O GLN A 79 -10.081 -7.862 -14.339 1.00 0.00 O ATOM 1214 CB GLN A 79 -6.863 -7.386 -14.007 1.00 0.00 C ATOM 1215 CG GLN A 79 -5.877 -6.253 -14.298 1.00 0.00 C ATOM 1216 CD GLN A 79 -4.572 -6.839 -14.851 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -4.592 -7.837 -15.544 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -3.428 -6.262 -14.575 1.00 0.00 N ATOM 0 H GLN A 79 -6.855 -6.588 -11.689 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.494 -5.934 -13.958 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.415 -8.105 -13.321 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.096 -7.925 -14.926 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -6.309 -5.557 -15.017 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.677 -5.688 -13.388 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.407 -5.424 -13.994 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -2.559 -6.651 -14.942 1.00 0.00 H new ATOM 1227 N GLN A 80 -9.340 -8.737 -12.452 1.00 0.00 N ATOM 1228 CA GLN A 80 -10.431 -9.775 -12.462 1.00 0.00 C ATOM 1229 C GLN A 80 -11.743 -9.171 -11.942 1.00 0.00 C ATOM 1230 O GLN A 80 -12.767 -9.253 -12.594 1.00 0.00 O ATOM 1231 CB GLN A 80 -9.965 -10.913 -11.539 1.00 0.00 C ATOM 1232 CG GLN A 80 -10.479 -12.249 -12.076 1.00 0.00 C ATOM 1233 CD GLN A 80 -9.403 -12.893 -12.959 1.00 0.00 C ATOM 1234 OE1 GLN A 80 -9.363 -12.657 -14.151 1.00 0.00 O ATOM 1235 NE2 GLN A 80 -8.520 -13.705 -12.429 1.00 0.00 N ATOM 0 H GLN A 80 -8.698 -8.785 -11.661 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.616 -10.141 -13.472 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.877 -10.927 -11.482 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -10.335 -10.749 -10.527 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.731 -12.913 -11.249 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.392 -12.095 -12.651 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.548 -13.907 -11.430 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -7.805 -14.134 -13.016 1.00 0.00 H new ATOM 1244 N GLY A 81 -11.725 -8.563 -10.776 1.00 0.00 N ATOM 1245 CA GLY A 81 -12.976 -7.957 -10.229 1.00 0.00 C ATOM 1246 C GLY A 81 -13.022 -8.138 -8.704 1.00 0.00 C ATOM 1247 O GLY A 81 -13.709 -9.007 -8.203 1.00 0.00 O ATOM 0 H GLY A 81 -10.900 -8.463 -10.185 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.016 -6.897 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.847 -8.426 -10.686 1.00 0.00 H new ATOM 1251 N GLU A 82 -12.302 -7.322 -7.960 1.00 0.00 N ATOM 1252 CA GLU A 82 -12.318 -7.455 -6.471 1.00 0.00 C ATOM 1253 C GLU A 82 -12.816 -6.148 -5.834 1.00 0.00 C ATOM 1254 O GLU A 82 -13.031 -5.167 -6.523 1.00 0.00 O ATOM 1255 CB GLU A 82 -10.864 -7.723 -6.081 1.00 0.00 C ATOM 1256 CG GLU A 82 -10.641 -9.230 -5.941 1.00 0.00 C ATOM 1257 CD GLU A 82 -11.190 -9.705 -4.595 1.00 0.00 C ATOM 1258 OE1 GLU A 82 -12.398 -9.682 -4.428 1.00 0.00 O ATOM 1259 OE2 GLU A 82 -10.392 -10.083 -3.753 1.00 0.00 O ATOM 0 H GLU A 82 -11.709 -6.575 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.982 -8.250 -6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.193 -7.314 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.630 -7.222 -5.142 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.137 -9.759 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -9.578 -9.459 -6.013 1.00 0.00 H new ATOM 1266 N SER A 83 -13.003 -6.118 -4.529 1.00 0.00 N ATOM 1267 CA SER A 83 -13.486 -4.864 -3.875 1.00 0.00 C ATOM 1268 C SER A 83 -12.397 -4.286 -2.960 1.00 0.00 C ATOM 1269 O SER A 83 -11.723 -5.016 -2.258 1.00 0.00 O ATOM 1270 CB SER A 83 -14.707 -5.278 -3.053 1.00 0.00 C ATOM 1271 OG SER A 83 -15.780 -5.589 -3.930 1.00 0.00 O ATOM 0 H SER A 83 -12.842 -6.904 -3.899 1.00 0.00 H new ATOM 0 HA SER A 83 -13.732 -4.094 -4.606 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.467 -6.142 -2.433 1.00 0.00 H new ATOM 0 HB3 SER A 83 -14.996 -4.472 -2.378 1.00 0.00 H new ATOM 0 HG SER A 83 -16.564 -5.856 -3.406 1.00 0.00 H new ATOM 1277 N ALA A 84 -12.220 -2.979 -2.957 1.00 0.00 N ATOM 1278 CA ALA A 84 -11.171 -2.369 -2.074 1.00 0.00 C ATOM 1279 C ALA A 84 -11.795 -1.839 -0.767 1.00 0.00 C ATOM 1280 O ALA A 84 -11.182 -1.909 0.281 1.00 0.00 O ATOM 1281 CB ALA A 84 -10.548 -1.222 -2.886 1.00 0.00 C ATOM 0 H ALA A 84 -12.752 -2.317 -3.522 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.420 -3.104 -1.785 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.773 -0.736 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.109 -1.620 -3.801 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.320 -0.495 -3.140 1.00 0.00 H new ATOM 1287 N GLU A 85 -13.006 -1.309 -0.810 1.00 0.00 N ATOM 1288 CA GLU A 85 -13.636 -0.782 0.458 1.00 0.00 C ATOM 1289 C GLU A 85 -13.728 -1.897 1.515 1.00 0.00 C ATOM 1290 O GLU A 85 -13.529 -1.655 2.691 1.00 0.00 O ATOM 1291 CB GLU A 85 -15.045 -0.294 0.086 1.00 0.00 C ATOM 1292 CG GLU A 85 -15.588 0.601 1.202 1.00 0.00 C ATOM 1293 CD GLU A 85 -16.412 -0.242 2.177 1.00 0.00 C ATOM 1294 OE1 GLU A 85 -17.258 -0.990 1.714 1.00 0.00 O ATOM 1295 OE2 GLU A 85 -16.184 -0.126 3.370 1.00 0.00 O ATOM 0 H GLU A 85 -13.576 -1.219 -1.651 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.038 0.026 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.014 0.257 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.708 -1.146 -0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.765 1.084 1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.205 1.394 0.779 1.00 0.00 H new ATOM 1302 N ASN A 86 -14.025 -3.115 1.110 1.00 0.00 N ATOM 1303 CA ASN A 86 -14.123 -4.239 2.116 1.00 0.00 C ATOM 1304 C ASN A 86 -12.806 -4.368 2.899 1.00 0.00 C ATOM 1305 O ASN A 86 -12.816 -4.628 4.088 1.00 0.00 O ATOM 1306 CB ASN A 86 -14.394 -5.523 1.312 1.00 0.00 C ATOM 1307 CG ASN A 86 -14.543 -6.715 2.266 1.00 0.00 C ATOM 1308 OD1 ASN A 86 -14.875 -6.540 3.422 1.00 0.00 O ATOM 1309 ND2 ASN A 86 -14.311 -7.930 1.832 1.00 0.00 N ATOM 0 H ASN A 86 -14.202 -3.381 0.141 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.917 -4.053 2.839 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -15.300 -5.406 0.718 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.577 -5.705 0.614 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.409 -8.725 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -14.032 -8.081 0.862 1.00 0.00 H new ATOM 1316 N ILE A 87 -11.673 -4.180 2.252 1.00 0.00 N ATOM 1317 CA ILE A 87 -10.369 -4.290 2.999 1.00 0.00 C ATOM 1318 C ILE A 87 -10.287 -3.182 4.067 1.00 0.00 C ATOM 1319 O ILE A 87 -9.769 -3.402 5.145 1.00 0.00 O ATOM 1320 CB ILE A 87 -9.243 -4.129 1.962 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -9.350 -5.242 0.913 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -7.881 -4.223 2.658 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -8.960 -4.693 -0.463 1.00 0.00 C ATOM 0 H ILE A 87 -11.593 -3.960 1.259 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.283 -5.250 3.509 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.338 -3.157 1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.698 -6.073 1.182 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.367 -5.632 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -7.087 -4.109 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.799 -3.434 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.787 -5.194 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -9.037 -5.486 -1.206 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.630 -3.877 -0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.935 -4.325 -0.430 1.00 0.00 H new ATOM 1335 N VAL A 88 -10.794 -1.993 3.784 1.00 0.00 N ATOM 1336 CA VAL A 88 -10.729 -0.893 4.816 1.00 0.00 C ATOM 1337 C VAL A 88 -11.468 -1.325 6.094 1.00 0.00 C ATOM 1338 O VAL A 88 -11.031 -1.024 7.190 1.00 0.00 O ATOM 1339 CB VAL A 88 -11.406 0.347 4.200 1.00 0.00 C ATOM 1340 CG1 VAL A 88 -11.376 1.505 5.202 1.00 0.00 C ATOM 1341 CG2 VAL A 88 -10.651 0.762 2.936 1.00 0.00 C ATOM 0 H VAL A 88 -11.241 -1.741 2.902 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.696 -0.673 5.087 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.440 0.105 3.953 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -11.856 2.379 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.909 1.216 6.108 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -10.342 1.745 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -11.128 1.639 2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.618 1.000 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.668 -0.057 2.217 1.00 0.00 H new ATOM 1351 N SER A 89 -12.577 -2.030 5.972 1.00 0.00 N ATOM 1352 CA SER A 89 -13.319 -2.472 7.212 1.00 0.00 C ATOM 1353 C SER A 89 -12.377 -3.286 8.113 1.00 0.00 C ATOM 1354 O SER A 89 -12.364 -3.114 9.318 1.00 0.00 O ATOM 1355 CB SER A 89 -14.491 -3.346 6.743 1.00 0.00 C ATOM 1356 OG SER A 89 -14.008 -4.640 6.406 1.00 0.00 O ATOM 0 H SER A 89 -12.995 -2.315 5.086 1.00 0.00 H new ATOM 0 HA SER A 89 -13.680 -1.617 7.784 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.242 -3.419 7.529 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.976 -2.890 5.880 1.00 0.00 H new ATOM 0 HG SER A 89 -13.382 -4.570 5.655 1.00 0.00 H new ATOM 1362 N LYS A 90 -11.572 -4.157 7.536 1.00 0.00 N ATOM 1363 CA LYS A 90 -10.616 -4.957 8.383 1.00 0.00 C ATOM 1364 C LYS A 90 -9.540 -4.031 8.973 1.00 0.00 C ATOM 1365 O LYS A 90 -9.085 -4.244 10.083 1.00 0.00 O ATOM 1366 CB LYS A 90 -9.972 -6.003 7.461 1.00 0.00 C ATOM 1367 CG LYS A 90 -9.488 -7.191 8.295 1.00 0.00 C ATOM 1368 CD LYS A 90 -8.020 -6.987 8.674 1.00 0.00 C ATOM 1369 CE LYS A 90 -7.494 -8.240 9.377 1.00 0.00 C ATOM 1370 NZ LYS A 90 -6.111 -8.421 8.856 1.00 0.00 N ATOM 0 H LYS A 90 -11.535 -4.347 6.534 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.133 -5.439 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.693 -6.338 6.715 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -9.136 -5.560 6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -10.096 -7.289 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -9.603 -8.116 7.730 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.428 -6.783 7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.920 -6.121 9.328 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.495 -8.115 10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -8.116 -9.107 9.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -5.840 -9.422 8.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.074 -8.127 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -5.452 -7.841 9.413 1.00 0.00 H new ATOM 1384 N ILE A 91 -9.130 -3.000 8.256 1.00 0.00 N ATOM 1385 CA ILE A 91 -8.087 -2.074 8.819 1.00 0.00 C ATOM 1386 C ILE A 91 -8.699 -1.225 9.943 1.00 0.00 C ATOM 1387 O ILE A 91 -8.061 -0.983 10.952 1.00 0.00 O ATOM 1388 CB ILE A 91 -7.607 -1.179 7.656 1.00 0.00 C ATOM 1389 CG1 ILE A 91 -7.003 -2.044 6.538 1.00 0.00 C ATOM 1390 CG2 ILE A 91 -6.545 -0.197 8.160 1.00 0.00 C ATOM 1391 CD1 ILE A 91 -5.857 -2.901 7.092 1.00 0.00 C ATOM 0 H ILE A 91 -9.467 -2.765 7.322 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.250 -2.628 9.243 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.461 -0.627 7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.772 -2.686 6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -6.635 -1.407 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.210 0.432 7.335 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.971 0.429 8.944 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.697 -0.752 8.560 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.437 -3.509 6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -5.082 -2.252 7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.237 -3.551 7.880 1.00 0.00 H new ATOM 1403 N ARG A 92 -9.927 -0.779 9.789 1.00 0.00 N ATOM 1404 CA ARG A 92 -10.555 0.047 10.880 1.00 0.00 C ATOM 1405 C ARG A 92 -10.825 -0.830 12.111 1.00 0.00 C ATOM 1406 O ARG A 92 -10.650 -0.389 13.233 1.00 0.00 O ATOM 1407 CB ARG A 92 -11.873 0.606 10.319 1.00 0.00 C ATOM 1408 CG ARG A 92 -11.598 1.918 9.582 1.00 0.00 C ATOM 1409 CD ARG A 92 -12.923 2.624 9.282 1.00 0.00 C ATOM 1410 NE ARG A 92 -13.265 3.346 10.539 1.00 0.00 N ATOM 1411 CZ ARG A 92 -13.417 4.643 10.525 1.00 0.00 C ATOM 1412 NH1 ARG A 92 -14.290 5.189 9.723 1.00 0.00 N ATOM 1413 NH2 ARG A 92 -12.696 5.393 11.312 1.00 0.00 N ATOM 0 H ARG A 92 -10.514 -0.946 8.972 1.00 0.00 H new ATOM 0 HA ARG A 92 -9.895 0.858 11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -12.327 -0.116 9.641 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -12.583 0.773 11.129 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -10.960 2.561 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.061 1.720 8.654 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -12.822 3.314 8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -13.700 1.908 9.013 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.380 2.828 11.410 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -14.853 4.603 9.107 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -14.409 6.202 9.712 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -12.013 4.966 11.938 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -12.815 6.406 11.301 1.00 0.00 H new ATOM 1427 N MET A 93 -11.231 -2.069 11.920 1.00 0.00 N ATOM 1428 CA MET A 93 -11.483 -2.953 13.112 1.00 0.00 C ATOM 1429 C MET A 93 -10.142 -3.412 13.700 1.00 0.00 C ATOM 1430 O MET A 93 -9.986 -3.483 14.905 1.00 0.00 O ATOM 1431 CB MET A 93 -12.296 -4.158 12.611 1.00 0.00 C ATOM 1432 CG MET A 93 -13.344 -4.538 13.659 1.00 0.00 C ATOM 1433 SD MET A 93 -12.600 -5.649 14.880 1.00 0.00 S ATOM 1434 CE MET A 93 -13.804 -6.991 14.727 1.00 0.00 C ATOM 0 H MET A 93 -11.396 -2.500 11.010 1.00 0.00 H new ATOM 0 HA MET A 93 -12.029 -2.425 13.894 1.00 0.00 H new ATOM 0 HB2 MET A 93 -12.782 -3.915 11.666 1.00 0.00 H new ATOM 0 HB3 MET A 93 -11.634 -5.003 12.420 1.00 0.00 H new ATOM 0 HG2 MET A 93 -13.724 -3.642 14.150 1.00 0.00 H new ATOM 0 HG3 MET A 93 -14.194 -5.024 13.180 1.00 0.00 H new ATOM 0 HE1 MET A 93 -13.535 -7.801 15.405 1.00 0.00 H new ATOM 0 HE2 MET A 93 -14.797 -6.620 14.981 1.00 0.00 H new ATOM 0 HE3 MET A 93 -13.807 -7.362 13.702 1.00 0.00 H new ATOM 1444 N MET A 94 -9.165 -3.707 12.866 1.00 0.00 N ATOM 1445 CA MET A 94 -7.832 -4.137 13.410 1.00 0.00 C ATOM 1446 C MET A 94 -7.083 -2.919 13.971 1.00 0.00 C ATOM 1447 O MET A 94 -6.390 -3.025 14.966 1.00 0.00 O ATOM 1448 CB MET A 94 -7.050 -4.760 12.242 1.00 0.00 C ATOM 1449 CG MET A 94 -6.050 -5.782 12.783 1.00 0.00 C ATOM 1450 SD MET A 94 -5.168 -6.551 11.402 1.00 0.00 S ATOM 1451 CE MET A 94 -4.113 -7.644 12.387 1.00 0.00 C ATOM 0 H MET A 94 -9.232 -3.669 11.849 1.00 0.00 H new ATOM 0 HA MET A 94 -7.949 -4.858 14.219 1.00 0.00 H new ATOM 0 HB2 MET A 94 -7.737 -5.241 11.546 1.00 0.00 H new ATOM 0 HB3 MET A 94 -6.526 -3.983 11.686 1.00 0.00 H new ATOM 0 HG2 MET A 94 -5.343 -5.295 13.454 1.00 0.00 H new ATOM 0 HG3 MET A 94 -6.570 -6.543 13.365 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.472 -8.225 11.724 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.495 -7.046 13.057 1.00 0.00 H new ATOM 0 HE3 MET A 94 -4.736 -8.319 12.974 1.00 0.00 H new ATOM 1461 N ASN A 95 -7.226 -1.757 13.360 1.00 0.00 N ATOM 1462 CA ASN A 95 -6.520 -0.546 13.906 1.00 0.00 C ATOM 1463 C ASN A 95 -7.217 -0.069 15.190 1.00 0.00 C ATOM 1464 O ASN A 95 -6.569 0.423 16.096 1.00 0.00 O ATOM 1465 CB ASN A 95 -6.585 0.538 12.818 1.00 0.00 C ATOM 1466 CG ASN A 95 -5.645 0.159 11.667 1.00 0.00 C ATOM 1467 OD1 ASN A 95 -5.593 -0.987 11.267 1.00 0.00 O ATOM 1468 ND2 ASN A 95 -4.890 1.074 11.108 1.00 0.00 N ATOM 0 H ASN A 95 -7.789 -1.598 12.525 1.00 0.00 H new ATOM 0 HA ASN A 95 -5.484 -0.772 14.159 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -7.606 0.639 12.450 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -6.298 1.504 13.234 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -4.265 0.821 10.343 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -4.928 2.038 11.438 1.00 0.00 H new ATOM 1475 N ALA A 96 -8.525 -0.221 15.293 1.00 0.00 N ATOM 1476 CA ALA A 96 -9.224 0.223 16.551 1.00 0.00 C ATOM 1477 C ALA A 96 -8.899 -0.748 17.695 1.00 0.00 C ATOM 1478 O ALA A 96 -8.713 -0.333 18.823 1.00 0.00 O ATOM 1479 CB ALA A 96 -10.731 0.216 16.251 1.00 0.00 C ATOM 0 H ALA A 96 -9.127 -0.625 14.576 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.898 1.218 16.856 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -11.280 0.532 17.138 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -10.942 0.901 15.430 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.042 -0.791 15.972 1.00 0.00 H new ATOM 1485 N GLN A 97 -8.811 -2.034 17.417 1.00 0.00 N ATOM 1486 CA GLN A 97 -8.473 -3.007 18.517 1.00 0.00 C ATOM 1487 C GLN A 97 -6.989 -2.870 18.885 1.00 0.00 C ATOM 1488 O GLN A 97 -6.629 -2.935 20.047 1.00 0.00 O ATOM 1489 CB GLN A 97 -8.765 -4.415 17.974 1.00 0.00 C ATOM 1490 CG GLN A 97 -8.563 -5.443 19.088 1.00 0.00 C ATOM 1491 CD GLN A 97 -8.918 -6.841 18.565 1.00 0.00 C ATOM 1492 OE1 GLN A 97 -8.787 -7.108 17.387 1.00 0.00 O ATOM 1493 NE2 GLN A 97 -9.366 -7.755 19.392 1.00 0.00 N ATOM 0 H GLN A 97 -8.955 -2.446 16.495 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.061 -2.814 19.414 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -9.787 -4.467 17.598 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.105 -4.637 17.135 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.529 -5.424 19.432 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.189 -5.194 19.945 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -9.478 -7.536 20.382 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -9.603 -8.685 19.045 1.00 0.00 H new ATOM 1502 N SER A 98 -6.123 -2.669 17.912 1.00 0.00 N ATOM 1503 CA SER A 98 -4.660 -2.512 18.236 1.00 0.00 C ATOM 1504 C SER A 98 -4.413 -1.190 18.984 1.00 0.00 C ATOM 1505 O SER A 98 -3.515 -1.104 19.802 1.00 0.00 O ATOM 1506 CB SER A 98 -3.905 -2.515 16.898 1.00 0.00 C ATOM 1507 OG SER A 98 -2.537 -2.820 17.132 1.00 0.00 O ATOM 0 H SER A 98 -6.360 -2.607 16.922 1.00 0.00 H new ATOM 0 HA SER A 98 -4.317 -3.321 18.881 1.00 0.00 H new ATOM 0 HB2 SER A 98 -4.343 -3.249 16.222 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.995 -1.542 16.414 1.00 0.00 H new ATOM 0 HG SER A 98 -2.052 -2.824 16.280 1.00 0.00 H new ATOM 1513 N LEU A 99 -5.193 -0.157 18.720 1.00 0.00 N ATOM 1514 CA LEU A 99 -4.972 1.145 19.444 1.00 0.00 C ATOM 1515 C LEU A 99 -5.610 1.096 20.841 1.00 0.00 C ATOM 1516 O LEU A 99 -5.063 1.625 21.789 1.00 0.00 O ATOM 1517 CB LEU A 99 -5.633 2.239 18.592 1.00 0.00 C ATOM 1518 CG LEU A 99 -4.785 3.511 18.645 1.00 0.00 C ATOM 1519 CD1 LEU A 99 -5.210 4.455 17.519 1.00 0.00 C ATOM 1520 CD2 LEU A 99 -4.991 4.204 19.994 1.00 0.00 C ATOM 0 H LEU A 99 -5.959 -0.159 18.047 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.909 1.342 19.579 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.735 1.900 17.561 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.638 2.444 18.961 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.733 3.252 18.525 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.606 5.361 17.557 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.066 3.962 16.557 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.262 4.715 17.639 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.387 5.111 20.033 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.043 4.463 20.113 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.690 3.532 20.798 1.00 0.00 H new ATOM 1532 N GLY A 100 -6.759 0.467 20.980 1.00 0.00 N ATOM 1533 CA GLY A 100 -7.414 0.395 22.318 1.00 0.00 C ATOM 1534 C GLY A 100 -8.763 1.125 22.271 1.00 0.00 C ATOM 1535 O GLY A 100 -8.811 2.333 22.137 1.00 0.00 O ATOM 0 H GLY A 100 -7.264 0.004 20.224 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.562 -0.646 22.606 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -6.771 0.846 23.074 1.00 0.00 H new ATOM 1539 N GLN A 101 -9.861 0.406 22.384 1.00 0.00 N ATOM 1540 CA GLN A 101 -11.200 1.075 22.348 1.00 0.00 C ATOM 1541 C GLN A 101 -11.831 1.070 23.749 1.00 0.00 C ATOM 1542 O GLN A 101 -11.880 0.048 24.405 1.00 0.00 O ATOM 1543 CB GLN A 101 -12.046 0.249 21.375 1.00 0.00 C ATOM 1544 CG GLN A 101 -11.688 0.627 19.936 1.00 0.00 C ATOM 1545 CD GLN A 101 -12.781 0.119 18.986 1.00 0.00 C ATOM 1546 OE1 GLN A 101 -13.469 0.905 18.366 1.00 0.00 O ATOM 1547 NE2 GLN A 101 -12.974 -1.169 18.842 1.00 0.00 N ATOM 0 H GLN A 101 -9.884 -0.607 22.499 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.128 2.116 22.032 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.870 -0.815 21.537 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -13.106 0.428 21.556 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.588 1.709 19.847 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.725 0.195 19.664 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.398 -1.832 19.361 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.700 -1.509 18.211 1.00 0.00 H new ATOM 1556 N SER A 102 -12.316 2.207 24.219 1.00 0.00 N ATOM 1557 CA SER A 102 -12.942 2.264 25.582 1.00 0.00 C ATOM 1558 C SER A 102 -11.992 1.681 26.645 1.00 0.00 C ATOM 1559 O SER A 102 -12.424 1.001 27.557 1.00 0.00 O ATOM 1560 CB SER A 102 -14.216 1.421 25.483 1.00 0.00 C ATOM 1561 OG SER A 102 -15.304 2.258 25.111 1.00 0.00 O ATOM 0 H SER A 102 -12.303 3.093 23.714 1.00 0.00 H new ATOM 0 HA SER A 102 -13.156 3.290 25.882 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.085 0.627 24.748 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.423 0.939 26.439 1.00 0.00 H new ATOM 0 HG SER A 102 -16.122 1.722 25.045 1.00 0.00 H new ATOM 1567 N ASP A 103 -10.704 1.943 26.537 1.00 0.00 N ATOM 1568 CA ASP A 103 -9.743 1.399 27.545 1.00 0.00 C ATOM 1569 C ASP A 103 -8.606 2.403 27.793 1.00 0.00 C ATOM 1570 O ASP A 103 -7.453 2.022 27.885 1.00 0.00 O ATOM 1571 CB ASP A 103 -9.199 0.114 26.919 1.00 0.00 C ATOM 1572 CG ASP A 103 -8.890 -0.900 28.021 1.00 0.00 C ATOM 1573 OD1 ASP A 103 -9.698 -1.024 28.928 1.00 0.00 O ATOM 1574 OD2 ASP A 103 -7.853 -1.537 27.940 1.00 0.00 O ATOM 0 H ASP A 103 -10.285 2.507 25.798 1.00 0.00 H new ATOM 0 HA ASP A 103 -10.216 1.214 28.509 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.928 -0.301 26.223 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.297 0.330 26.346 1.00 0.00 H new ATOM 1579 N ILE A 104 -8.915 3.679 27.901 1.00 0.00 N ATOM 1580 CA ILE A 104 -7.842 4.692 28.143 1.00 0.00 C ATOM 1581 C ILE A 104 -8.324 5.744 29.157 1.00 0.00 C ATOM 1582 O ILE A 104 -9.511 5.967 29.304 1.00 0.00 O ATOM 1583 CB ILE A 104 -7.579 5.326 26.770 1.00 0.00 C ATOM 1584 CG1 ILE A 104 -6.480 6.386 26.898 1.00 0.00 C ATOM 1585 CG2 ILE A 104 -8.858 5.981 26.240 1.00 0.00 C ATOM 1586 CD1 ILE A 104 -5.140 5.703 27.174 1.00 0.00 C ATOM 0 H ILE A 104 -9.860 4.056 27.832 1.00 0.00 H new ATOM 0 HA ILE A 104 -6.937 4.251 28.561 1.00 0.00 H new ATOM 0 HB ILE A 104 -7.261 4.549 26.075 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.419 6.973 25.982 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.720 7.078 27.705 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.661 6.428 25.266 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.639 5.227 26.142 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -9.185 6.755 26.935 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.359 6.458 27.265 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.205 5.135 28.102 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -4.899 5.029 26.352 1.00 0.00 H new ATOM 1598 N ALA A 105 -7.415 6.393 29.857 1.00 0.00 N ATOM 1599 CA ALA A 105 -7.832 7.425 30.855 1.00 0.00 C ATOM 1600 C ALA A 105 -7.276 8.795 30.462 1.00 0.00 C ATOM 1601 O ALA A 105 -6.106 9.034 30.716 1.00 0.00 O ATOM 1602 CB ALA A 105 -7.230 6.960 32.180 1.00 0.00 C ATOM 1603 OXT ALA A 105 -8.029 9.584 29.915 1.00 0.00 O ATOM 0 H ALA A 105 -6.408 6.250 29.777 1.00 0.00 H new ATOM 0 HA ALA A 105 -8.915 7.529 30.915 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -7.492 7.667 32.967 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.623 5.975 32.432 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -6.145 6.905 32.088 1.00 0.00 H new TER 1609 ALA A 105