USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 740 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 13 HIS : no HE2:sc= 0.0862 K(o=-6,f=-6.9) USER MOD Set 1.2: A 21 ASN : amide:sc= -6.04! C(o=-6!,f=-8.6!) USER MOD Single : A 6 MET CE :methyl 161:sc= -0.079 (180deg=-0.559) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 118:sc= 0.289 USER MOD Single : A 17 ASN : amide:sc= -0.94 K(o=-0.94,f=-2.9!) USER MOD Single : A 19 LYS NZ :NH3+ -170:sc= -0.041 (180deg=-0.19) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 24 ASN : amide:sc= -4.63! K(o=-4.6!,f=-0.99) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.016 USER MOD Single : A 31 HIS : no HE2:sc= -0.444 K(o=-0.44,f=-1.5) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00422) USER MOD Single : A 42 ASN : amide:sc= -2.72! C(o=-2.7!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 52 SER OG : rot 43:sc= 0.0332 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 80:sc= 0.175 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -150:sc= -1.33! USER MOD Single : A 63 TYR OH : rot 150:sc= -1.87! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 170:sc= -0.03 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -152:sc= 1.8 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 13:sc= 0.834 USER MOD Single : A 83 ASN : amide:sc=-0.00499 K(o=-0.005,f=-0.7) USER MOD Single : A 84 HIS : no HD1:sc= -5.07! C(o=-5.1!,f=-8.7!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -12:sc= 0.369 USER MOD Single : A 89 GLN : amide:sc= -2.2! K(o=-2.2!,f=-0.58) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -146:sc= -0.262 (180deg=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 6.591 -7.468 7.727 1.00 0.00 N ATOM 2 CA MET A 6 5.144 -7.342 7.725 1.00 0.00 C ATOM 3 C MET A 6 4.739 -5.919 7.369 1.00 0.00 C ATOM 4 O MET A 6 5.324 -4.956 7.863 1.00 0.00 O ATOM 5 CB MET A 6 4.571 -7.716 9.095 1.00 0.00 C ATOM 6 CG MET A 6 3.051 -7.697 9.148 1.00 0.00 C ATOM 7 SD MET A 6 2.302 -8.928 8.062 1.00 0.00 S ATOM 8 CE MET A 6 2.864 -10.444 8.837 1.00 0.00 C ATOM 0 HA MET A 6 4.742 -8.025 6.977 1.00 0.00 H new ATOM 0 HB2 MET A 6 4.923 -8.711 9.367 1.00 0.00 H new ATOM 0 HB3 MET A 6 4.960 -7.025 9.843 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.725 -7.876 10.173 1.00 0.00 H new ATOM 0 HG3 MET A 6 2.694 -6.706 8.868 1.00 0.00 H new ATOM 0 HE1 MET A 6 2.236 -11.273 8.512 1.00 0.00 H new ATOM 0 HE2 MET A 6 3.898 -10.637 8.551 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.800 -10.344 9.921 1.00 0.00 H new ATOM 17 N ILE A 7 3.747 -5.796 6.506 1.00 0.00 N ATOM 18 CA ILE A 7 3.231 -4.494 6.111 1.00 0.00 C ATOM 19 C ILE A 7 2.012 -4.164 6.971 1.00 0.00 C ATOM 20 O ILE A 7 1.340 -5.068 7.465 1.00 0.00 O ATOM 21 CB ILE A 7 2.803 -4.488 4.615 1.00 0.00 C ATOM 22 CG1 ILE A 7 3.785 -5.282 3.745 1.00 0.00 C ATOM 23 CG2 ILE A 7 2.686 -3.065 4.076 1.00 0.00 C ATOM 24 CD1 ILE A 7 3.161 -5.815 2.468 1.00 0.00 C ATOM 0 H ILE A 7 3.279 -6.586 6.062 1.00 0.00 H new ATOM 0 HA ILE A 7 4.019 -3.754 6.250 1.00 0.00 H new ATOM 0 HB ILE A 7 1.825 -4.967 4.567 1.00 0.00 H new ATOM 0 HG12 ILE A 7 4.631 -4.644 3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.180 -6.117 4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.385 -3.096 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.939 -2.518 4.652 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.650 -2.563 4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.910 -6.367 1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.333 -6.479 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.791 -4.983 1.869 1.00 0.00 H new ATOM 36 N GLN A 8 1.743 -2.881 7.164 1.00 0.00 N ATOM 37 CA GLN A 8 0.569 -2.452 7.915 1.00 0.00 C ATOM 38 C GLN A 8 -0.155 -1.330 7.166 1.00 0.00 C ATOM 39 O GLN A 8 0.354 -0.213 7.063 1.00 0.00 O ATOM 40 CB GLN A 8 0.978 -1.986 9.317 1.00 0.00 C ATOM 41 CG GLN A 8 1.598 -3.083 10.181 1.00 0.00 C ATOM 42 CD GLN A 8 2.160 -2.543 11.484 1.00 0.00 C ATOM 43 OE1 GLN A 8 3.329 -2.160 11.558 1.00 0.00 O ATOM 44 NE2 GLN A 8 1.337 -2.507 12.521 1.00 0.00 N ATOM 0 H GLN A 8 2.321 -2.118 6.812 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.112 -3.297 8.017 1.00 0.00 H new ATOM 0 HB2 GLN A 8 1.690 -1.166 9.223 1.00 0.00 H new ATOM 0 HB3 GLN A 8 0.100 -1.589 9.827 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.844 -3.840 10.399 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.393 -3.577 9.622 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.376 -2.833 12.421 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.664 -2.153 13.420 1.00 0.00 H new ATOM 53 N VAL A 9 -1.323 -1.643 6.611 1.00 0.00 N ATOM 54 CA VAL A 9 -2.120 -0.656 5.882 1.00 0.00 C ATOM 55 C VAL A 9 -3.153 0.019 6.776 1.00 0.00 C ATOM 56 O VAL A 9 -3.681 -0.592 7.702 1.00 0.00 O ATOM 57 CB VAL A 9 -2.844 -1.286 4.670 1.00 0.00 C ATOM 58 CG1 VAL A 9 -1.890 -1.442 3.502 1.00 0.00 C ATOM 59 CG2 VAL A 9 -3.434 -2.632 5.049 1.00 0.00 C ATOM 0 H VAL A 9 -1.740 -2.573 6.651 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.413 0.095 5.528 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.654 -0.621 4.369 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.417 -1.887 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.505 -0.464 3.214 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.061 -2.087 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.941 -3.063 4.186 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.636 -3.301 5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.149 -2.500 5.861 1.00 0.00 H new ATOM 69 N TYR A 10 -3.448 1.277 6.456 1.00 0.00 N ATOM 70 CA TYR A 10 -4.370 2.107 7.227 1.00 0.00 C ATOM 71 C TYR A 10 -4.903 3.231 6.351 1.00 0.00 C ATOM 72 O TYR A 10 -4.556 3.333 5.173 1.00 0.00 O ATOM 73 CB TYR A 10 -3.684 2.697 8.470 1.00 0.00 C ATOM 74 CG TYR A 10 -3.546 1.703 9.615 1.00 0.00 C ATOM 75 CD1 TYR A 10 -2.294 1.307 10.080 1.00 0.00 C ATOM 76 CD2 TYR A 10 -4.672 1.134 10.209 1.00 0.00 C ATOM 77 CE1 TYR A 10 -2.168 0.378 11.099 1.00 0.00 C ATOM 78 CE2 TYR A 10 -4.552 0.207 11.233 1.00 0.00 C ATOM 79 CZ TYR A 10 -3.300 -0.165 11.668 1.00 0.00 C ATOM 80 OH TYR A 10 -3.178 -1.097 12.676 1.00 0.00 O ATOM 0 H TYR A 10 -3.050 1.753 5.647 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.195 1.478 7.562 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.694 3.059 8.192 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.254 3.560 8.815 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -1.405 1.732 9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.655 1.420 9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.189 0.081 11.446 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.434 -0.220 11.686 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.069 -1.380 12.970 1.00 0.00 H new ATOM 90 N SER A 11 -5.767 4.057 6.911 1.00 0.00 N ATOM 91 CA SER A 11 -6.296 5.206 6.190 1.00 0.00 C ATOM 92 C SER A 11 -6.136 6.478 7.012 1.00 0.00 C ATOM 93 O SER A 11 -6.120 6.431 8.243 1.00 0.00 O ATOM 94 CB SER A 11 -7.771 4.990 5.871 1.00 0.00 C ATOM 95 OG SER A 11 -7.962 3.798 5.126 1.00 0.00 O ATOM 0 H SER A 11 -6.119 3.956 7.863 1.00 0.00 H new ATOM 0 HA SER A 11 -5.735 5.313 5.262 1.00 0.00 H new ATOM 0 HB2 SER A 11 -8.343 4.939 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 11 -8.153 5.841 5.307 1.00 0.00 H new ATOM 0 HG SER A 11 -8.523 3.178 5.638 1.00 0.00 H new ATOM 101 N ARG A 12 -6.043 7.614 6.326 1.00 0.00 N ATOM 102 CA ARG A 12 -5.786 8.885 6.996 1.00 0.00 C ATOM 103 C ARG A 12 -7.088 9.511 7.501 1.00 0.00 C ATOM 104 O ARG A 12 -7.068 10.464 8.280 1.00 0.00 O ATOM 105 CB ARG A 12 -5.054 9.840 6.046 1.00 0.00 C ATOM 106 CG ARG A 12 -3.872 10.549 6.694 1.00 0.00 C ATOM 107 CD ARG A 12 -4.311 11.713 7.561 1.00 0.00 C ATOM 108 NE ARG A 12 -4.541 12.918 6.767 1.00 0.00 N ATOM 109 CZ ARG A 12 -5.253 13.963 7.177 1.00 0.00 C ATOM 110 NH1 ARG A 12 -5.880 13.930 8.341 1.00 0.00 N ATOM 111 NH2 ARG A 12 -5.368 15.029 6.399 1.00 0.00 N ATOM 0 H ARG A 12 -6.141 7.681 5.313 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.151 8.699 7.862 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.702 9.280 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.759 10.586 5.678 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.311 9.838 7.300 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.196 10.910 5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.225 11.447 8.093 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.550 11.913 8.315 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.127 12.960 5.836 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.819 13.099 8.930 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.425 14.735 8.650 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.911 15.047 5.487 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.914 15.832 6.712 1.00 0.00 H new ATOM 125 N HIS A 13 -8.213 8.955 7.063 1.00 0.00 N ATOM 126 CA HIS A 13 -9.534 9.408 7.494 1.00 0.00 C ATOM 127 C HIS A 13 -10.422 8.183 7.755 1.00 0.00 C ATOM 128 O HIS A 13 -10.015 7.062 7.446 1.00 0.00 O ATOM 129 CB HIS A 13 -10.158 10.314 6.427 1.00 0.00 C ATOM 130 CG HIS A 13 -9.420 11.600 6.196 1.00 0.00 C ATOM 131 ND1 HIS A 13 -8.607 11.769 5.104 1.00 0.00 N ATOM 132 CD2 HIS A 13 -9.428 12.744 6.922 1.00 0.00 C ATOM 133 CE1 HIS A 13 -8.139 13.001 5.187 1.00 0.00 C ATOM 134 NE2 HIS A 13 -8.609 13.632 6.273 1.00 0.00 N ATOM 0 H HIS A 13 -8.237 8.179 6.401 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.443 9.986 8.413 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -10.209 9.765 5.487 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -11.183 10.545 6.718 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -8.405 11.083 4.377 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -9.974 12.922 7.836 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.463 13.444 4.471 1.00 0.00 H new ATOM 142 N PRO A 14 -11.630 8.361 8.336 1.00 0.00 N ATOM 143 CA PRO A 14 -12.501 7.238 8.719 1.00 0.00 C ATOM 144 C PRO A 14 -13.207 6.590 7.520 1.00 0.00 C ATOM 145 O PRO A 14 -13.689 7.286 6.623 1.00 0.00 O ATOM 146 CB PRO A 14 -13.541 7.862 9.665 1.00 0.00 C ATOM 147 CG PRO A 14 -13.203 9.322 9.776 1.00 0.00 C ATOM 148 CD PRO A 14 -12.240 9.658 8.664 1.00 0.00 C ATOM 0 HA PRO A 14 -11.918 6.438 9.176 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -14.550 7.727 9.274 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.511 7.382 10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -14.104 9.930 9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.756 9.538 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -12.754 10.089 7.805 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.493 10.383 8.985 1.00 0.00 H new ATOM 156 N ALA A 15 -13.251 5.254 7.514 1.00 0.00 N ATOM 157 CA ALA A 15 -13.903 4.478 6.452 1.00 0.00 C ATOM 158 C ALA A 15 -15.380 4.829 6.272 1.00 0.00 C ATOM 159 O ALA A 15 -16.193 4.546 7.153 1.00 0.00 O ATOM 160 CB ALA A 15 -13.798 2.992 6.777 1.00 0.00 C ATOM 0 H ALA A 15 -12.835 4.678 8.246 1.00 0.00 H new ATOM 0 HA ALA A 15 -13.389 4.724 5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.281 2.412 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -12.748 2.708 6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.290 2.792 7.729 1.00 0.00 H new ATOM 166 N GLU A 16 -15.734 5.451 5.148 1.00 0.00 N ATOM 167 CA GLU A 16 -17.147 5.611 4.795 1.00 0.00 C ATOM 168 C GLU A 16 -17.461 4.974 3.438 1.00 0.00 C ATOM 169 O GLU A 16 -16.819 5.293 2.435 1.00 0.00 O ATOM 170 CB GLU A 16 -17.550 7.087 4.772 1.00 0.00 C ATOM 171 CG GLU A 16 -18.229 7.551 6.041 1.00 0.00 C ATOM 172 CD GLU A 16 -19.450 6.721 6.375 1.00 0.00 C ATOM 173 OE1 GLU A 16 -20.517 6.959 5.774 1.00 0.00 O ATOM 174 OE2 GLU A 16 -19.348 5.819 7.234 1.00 0.00 O ATOM 0 H GLU A 16 -15.077 5.847 4.476 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.725 5.099 5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.661 7.695 4.603 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.219 7.259 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -17.521 7.501 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.521 8.596 5.933 1.00 0.00 H new ATOM 181 N ASN A 17 -18.445 4.072 3.415 1.00 0.00 N ATOM 182 CA ASN A 17 -18.894 3.444 2.173 1.00 0.00 C ATOM 183 C ASN A 17 -19.460 4.498 1.212 1.00 0.00 C ATOM 184 O ASN A 17 -20.450 5.163 1.520 1.00 0.00 O ATOM 185 CB ASN A 17 -19.937 2.337 2.478 1.00 0.00 C ATOM 186 CG ASN A 17 -20.713 1.888 1.250 1.00 0.00 C ATOM 187 OD1 ASN A 17 -20.295 0.974 0.539 1.00 0.00 O ATOM 188 ND2 ASN A 17 -21.854 2.516 0.998 1.00 0.00 N ATOM 0 H ASN A 17 -18.947 3.760 4.246 1.00 0.00 H new ATOM 0 HA ASN A 17 -18.040 2.975 1.685 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -19.427 1.477 2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -20.638 2.704 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -22.418 2.246 0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -22.168 3.269 1.610 1.00 0.00 H new ATOM 195 N GLY A 18 -18.793 4.669 0.070 1.00 0.00 N ATOM 196 CA GLY A 18 -19.239 5.624 -0.939 1.00 0.00 C ATOM 197 C GLY A 18 -18.285 6.788 -1.133 1.00 0.00 C ATOM 198 O GLY A 18 -18.341 7.473 -2.154 1.00 0.00 O ATOM 0 H GLY A 18 -17.945 4.159 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -19.364 5.105 -1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -20.218 6.010 -0.655 1.00 0.00 H new ATOM 202 N LYS A 19 -17.404 7.027 -0.170 1.00 0.00 N ATOM 203 CA LYS A 19 -16.494 8.170 -0.268 1.00 0.00 C ATOM 204 C LYS A 19 -15.182 7.770 -0.914 1.00 0.00 C ATOM 205 O LYS A 19 -14.751 6.620 -0.815 1.00 0.00 O ATOM 206 CB LYS A 19 -16.171 8.761 1.107 1.00 0.00 C ATOM 207 CG LYS A 19 -17.331 8.829 2.085 1.00 0.00 C ATOM 208 CD LYS A 19 -18.505 9.654 1.589 1.00 0.00 C ATOM 209 CE LYS A 19 -18.131 11.111 1.343 1.00 0.00 C ATOM 210 NZ LYS A 19 -17.537 11.755 2.545 1.00 0.00 N ATOM 0 H LYS A 19 -17.297 6.461 0.672 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.008 8.914 -0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.374 8.170 1.558 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.779 9.768 0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.675 7.817 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.976 9.249 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -18.886 9.219 0.665 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.312 9.608 2.320 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.422 11.167 0.517 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.019 11.665 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.456 12.780 2.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.146 11.580 3.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.593 11.357 2.721 1.00 0.00 H new ATOM 224 N SER A 20 -14.554 8.730 -1.568 1.00 0.00 N ATOM 225 CA SER A 20 -13.197 8.555 -2.039 1.00 0.00 C ATOM 226 C SER A 20 -12.224 9.219 -1.074 1.00 0.00 C ATOM 227 O SER A 20 -12.500 10.290 -0.530 1.00 0.00 O ATOM 228 CB SER A 20 -13.026 9.077 -3.464 1.00 0.00 C ATOM 229 OG SER A 20 -13.914 10.150 -3.731 1.00 0.00 O ATOM 0 H SER A 20 -14.964 9.639 -1.784 1.00 0.00 H new ATOM 0 HA SER A 20 -12.975 7.488 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.998 9.408 -3.611 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.205 8.269 -4.173 1.00 0.00 H new ATOM 0 HG SER A 20 -13.780 10.464 -4.650 1.00 0.00 H new ATOM 235 N ASN A 21 -11.095 8.566 -0.871 1.00 0.00 N ATOM 236 CA ASN A 21 -10.149 8.931 0.176 1.00 0.00 C ATOM 237 C ASN A 21 -8.853 8.182 -0.128 1.00 0.00 C ATOM 238 O ASN A 21 -8.785 7.501 -1.153 1.00 0.00 O ATOM 239 CB ASN A 21 -10.738 8.542 1.540 1.00 0.00 C ATOM 240 CG ASN A 21 -10.186 9.342 2.695 1.00 0.00 C ATOM 241 OD1 ASN A 21 -9.016 9.722 2.707 1.00 0.00 O ATOM 242 ND2 ASN A 21 -11.039 9.620 3.675 1.00 0.00 N ATOM 0 H ASN A 21 -10.804 7.763 -1.429 1.00 0.00 H new ATOM 0 HA ASN A 21 -9.951 10.002 0.208 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.820 8.669 1.507 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.546 7.484 1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.732 10.169 4.478 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.001 9.285 3.624 1.00 0.00 H new ATOM 249 N PHE A 22 -7.837 8.282 0.717 1.00 0.00 N ATOM 250 CA PHE A 22 -6.524 7.737 0.361 1.00 0.00 C ATOM 251 C PHE A 22 -6.144 6.509 1.181 1.00 0.00 C ATOM 252 O PHE A 22 -6.218 6.521 2.411 1.00 0.00 O ATOM 253 CB PHE A 22 -5.446 8.818 0.499 1.00 0.00 C ATOM 254 CG PHE A 22 -5.470 9.822 -0.619 1.00 0.00 C ATOM 255 CD1 PHE A 22 -5.821 9.428 -1.899 1.00 0.00 C ATOM 256 CD2 PHE A 22 -5.140 11.153 -0.398 1.00 0.00 C ATOM 257 CE1 PHE A 22 -5.846 10.335 -2.940 1.00 0.00 C ATOM 258 CE2 PHE A 22 -5.165 12.066 -1.435 1.00 0.00 C ATOM 259 CZ PHE A 22 -5.518 11.656 -2.706 1.00 0.00 C ATOM 0 H PHE A 22 -7.887 8.724 1.635 1.00 0.00 H new ATOM 0 HA PHE A 22 -6.591 7.413 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.580 9.337 1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -4.466 8.343 0.531 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.079 8.396 -2.086 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.861 11.477 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.121 10.013 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.909 13.099 -1.252 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.538 12.369 -3.517 1.00 0.00 H new ATOM 269 N LEU A 23 -5.730 5.448 0.479 1.00 0.00 N ATOM 270 CA LEU A 23 -5.251 4.228 1.140 1.00 0.00 C ATOM 271 C LEU A 23 -3.765 4.355 1.434 1.00 0.00 C ATOM 272 O LEU A 23 -2.968 4.648 0.541 1.00 0.00 O ATOM 273 CB LEU A 23 -5.513 2.967 0.288 1.00 0.00 C ATOM 274 CG LEU A 23 -4.838 1.655 0.773 1.00 0.00 C ATOM 275 CD1 LEU A 23 -5.176 1.345 2.229 1.00 0.00 C ATOM 276 CD2 LEU A 23 -5.258 0.490 -0.111 1.00 0.00 C ATOM 0 H LEU A 23 -5.717 5.409 -0.540 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.806 4.115 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.589 2.802 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.179 3.167 -0.730 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.760 1.798 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.684 0.419 2.528 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.831 2.161 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.255 1.233 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.778 -0.424 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.341 0.371 -0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.956 0.687 -1.140 1.00 0.00 H new ATOM 288 N ASN A 24 -3.405 4.148 2.686 1.00 0.00 N ATOM 289 CA ASN A 24 -2.012 4.244 3.099 1.00 0.00 C ATOM 290 C ASN A 24 -1.437 2.861 3.368 1.00 0.00 C ATOM 291 O ASN A 24 -1.999 2.070 4.125 1.00 0.00 O ATOM 292 CB ASN A 24 -1.847 5.159 4.335 1.00 0.00 C ATOM 293 CG ASN A 24 -1.001 4.537 5.430 1.00 0.00 C ATOM 294 OD1 ASN A 24 -1.519 3.893 6.338 1.00 0.00 O ATOM 295 ND2 ASN A 24 0.304 4.724 5.351 1.00 0.00 N ATOM 0 H ASN A 24 -4.054 3.912 3.436 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.453 4.697 2.280 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.393 6.100 4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.832 5.397 4.737 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.920 4.327 6.060 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.696 5.265 4.581 1.00 0.00 H new ATOM 302 N CYS A 25 -0.343 2.553 2.697 1.00 0.00 N ATOM 303 CA CYS A 25 0.431 1.362 2.987 1.00 0.00 C ATOM 304 C CYS A 25 1.795 1.774 3.527 1.00 0.00 C ATOM 305 O CYS A 25 2.573 2.415 2.817 1.00 0.00 O ATOM 306 CB CYS A 25 0.600 0.532 1.701 1.00 0.00 C ATOM 307 SG CYS A 25 1.874 -0.762 1.802 1.00 0.00 S ATOM 0 H CYS A 25 0.033 3.120 1.937 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.085 0.757 3.732 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.355 0.066 1.456 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.847 1.204 0.879 1.00 0.00 H new ATOM 312 N TYR A 26 2.079 1.450 4.784 1.00 0.00 N ATOM 313 CA TYR A 26 3.396 1.725 5.334 1.00 0.00 C ATOM 314 C TYR A 26 4.293 0.547 5.064 1.00 0.00 C ATOM 315 O TYR A 26 4.080 -0.536 5.617 1.00 0.00 O ATOM 316 CB TYR A 26 3.398 1.924 6.854 1.00 0.00 C ATOM 317 CG TYR A 26 2.496 2.994 7.420 1.00 0.00 C ATOM 318 CD1 TYR A 26 2.879 4.322 7.415 1.00 0.00 C ATOM 319 CD2 TYR A 26 1.288 2.663 8.020 1.00 0.00 C ATOM 320 CE1 TYR A 26 2.087 5.295 7.990 1.00 0.00 C ATOM 321 CE2 TYR A 26 0.483 3.631 8.588 1.00 0.00 C ATOM 322 CZ TYR A 26 0.889 4.946 8.572 1.00 0.00 C ATOM 323 OH TYR A 26 0.102 5.916 9.151 1.00 0.00 O ATOM 0 H TYR A 26 1.426 1.005 5.429 1.00 0.00 H new ATOM 0 HA TYR A 26 3.734 2.646 4.859 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.126 0.976 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.419 2.148 7.162 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.814 4.603 6.953 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.972 1.630 8.043 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.406 6.327 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.458 3.358 9.041 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.709 5.505 9.515 1.00 0.00 H new ATOM 333 N VAL A 27 5.282 0.729 4.225 1.00 0.00 N ATOM 334 CA VAL A 27 6.306 -0.269 4.072 1.00 0.00 C ATOM 335 C VAL A 27 7.533 0.203 4.839 1.00 0.00 C ATOM 336 O VAL A 27 8.056 1.289 4.581 1.00 0.00 O ATOM 337 CB VAL A 27 6.639 -0.505 2.575 1.00 0.00 C ATOM 338 CG1 VAL A 27 7.715 -1.573 2.396 1.00 0.00 C ATOM 339 CG2 VAL A 27 5.378 -0.898 1.816 1.00 0.00 C ATOM 0 H VAL A 27 5.398 1.557 3.640 1.00 0.00 H new ATOM 0 HA VAL A 27 5.960 -1.223 4.469 1.00 0.00 H new ATOM 0 HB VAL A 27 7.030 0.428 2.170 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.920 -1.709 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.627 -1.259 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.368 -2.514 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.621 -1.062 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.968 -1.815 2.241 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.641 -0.099 1.897 1.00 0.00 H new ATOM 349 N SER A 28 7.951 -0.594 5.814 1.00 0.00 N ATOM 350 CA SER A 28 9.118 -0.274 6.619 1.00 0.00 C ATOM 351 C SER A 28 10.369 -0.495 5.770 1.00 0.00 C ATOM 352 O SER A 28 10.225 -0.697 4.572 1.00 0.00 O ATOM 353 CB SER A 28 9.089 -1.083 7.918 1.00 0.00 C ATOM 354 OG SER A 28 10.145 -0.725 8.800 1.00 0.00 O ATOM 0 H SER A 28 7.495 -1.471 6.066 1.00 0.00 H new ATOM 0 HA SER A 28 9.122 0.772 6.924 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.133 -0.929 8.418 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.159 -2.145 7.684 1.00 0.00 H new ATOM 0 HG SER A 28 10.087 -1.264 9.616 1.00 0.00 H new ATOM 360 N GLY A 29 11.567 -0.539 6.367 1.00 0.00 N ATOM 361 CA GLY A 29 12.759 -0.018 5.689 1.00 0.00 C ATOM 362 C GLY A 29 13.005 -0.575 4.299 1.00 0.00 C ATOM 363 O GLY A 29 12.310 -0.229 3.344 1.00 0.00 O ATOM 0 H GLY A 29 11.735 -0.921 7.298 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.673 1.066 5.619 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.631 -0.229 6.308 1.00 0.00 H new ATOM 367 N PHE A 30 14.079 -1.333 4.186 1.00 0.00 N ATOM 368 CA PHE A 30 14.468 -1.935 2.912 1.00 0.00 C ATOM 369 C PHE A 30 15.143 -0.849 2.084 1.00 0.00 C ATOM 370 O PHE A 30 15.262 0.287 2.528 1.00 0.00 O ATOM 371 CB PHE A 30 13.262 -2.472 2.106 1.00 0.00 C ATOM 372 CG PHE A 30 12.481 -3.617 2.740 1.00 0.00 C ATOM 373 CD1 PHE A 30 12.740 -4.939 2.387 1.00 0.00 C ATOM 374 CD2 PHE A 30 11.467 -3.370 3.661 1.00 0.00 C ATOM 375 CE1 PHE A 30 12.000 -5.982 2.935 1.00 0.00 C ATOM 376 CE2 PHE A 30 10.733 -4.409 4.215 1.00 0.00 C ATOM 377 CZ PHE A 30 10.999 -5.712 3.849 1.00 0.00 C ATOM 0 H PHE A 30 14.704 -1.551 4.962 1.00 0.00 H new ATOM 0 HA PHE A 30 15.123 -2.780 3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.574 -1.645 1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 30 13.622 -2.802 1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.525 -5.157 1.679 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.248 -2.353 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 30 12.208 -7.002 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 30 9.954 -4.198 4.932 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.425 -6.521 4.276 1.00 0.00 H new ATOM 387 N HIS A 31 15.611 -1.202 0.910 1.00 0.00 N ATOM 388 CA HIS A 31 16.139 -0.209 -0.016 1.00 0.00 C ATOM 389 C HIS A 31 15.080 0.172 -1.052 1.00 0.00 C ATOM 390 O HIS A 31 14.863 -0.566 -2.007 1.00 0.00 O ATOM 391 CB HIS A 31 17.396 -0.752 -0.698 1.00 0.00 C ATOM 392 CG HIS A 31 18.426 -1.224 0.284 1.00 0.00 C ATOM 393 ND1 HIS A 31 18.588 -2.562 0.559 1.00 0.00 N ATOM 394 CD2 HIS A 31 19.281 -0.510 1.058 1.00 0.00 C ATOM 395 CE1 HIS A 31 19.523 -2.632 1.488 1.00 0.00 C ATOM 396 NE2 HIS A 31 19.974 -1.416 1.822 1.00 0.00 N ATOM 0 H HIS A 31 15.640 -2.163 0.568 1.00 0.00 H new ATOM 0 HA HIS A 31 16.405 0.690 0.540 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.121 -1.577 -1.355 1.00 0.00 H new ATOM 0 HB3 HIS A 31 17.829 0.026 -1.327 1.00 0.00 H new ATOM 0 HD1 HIS A 31 18.087 -3.341 0.132 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.395 0.564 1.071 1.00 0.00 H new ATOM 0 HE1 HIS A 31 19.879 -3.554 1.924 1.00 0.00 H new ATOM 404 N PRO A 32 14.413 1.343 -0.851 1.00 0.00 N ATOM 405 CA PRO A 32 13.308 1.840 -1.693 1.00 0.00 C ATOM 406 C PRO A 32 13.493 1.603 -3.185 1.00 0.00 C ATOM 407 O PRO A 32 12.532 1.320 -3.897 1.00 0.00 O ATOM 408 CB PRO A 32 13.316 3.338 -1.408 1.00 0.00 C ATOM 409 CG PRO A 32 13.707 3.425 0.021 1.00 0.00 C ATOM 410 CD PRO A 32 14.686 2.290 0.253 1.00 0.00 C ATOM 0 HA PRO A 32 12.379 1.321 -1.457 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.024 3.863 -2.049 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.337 3.784 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 32 14.166 4.388 0.243 1.00 0.00 H new ATOM 0 HG3 PRO A 32 12.837 3.330 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.717 2.643 0.229 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.531 1.823 1.226 1.00 0.00 H new ATOM 418 N SER A 33 14.724 1.730 -3.650 1.00 0.00 N ATOM 419 CA SER A 33 15.016 1.606 -5.065 1.00 0.00 C ATOM 420 C SER A 33 14.848 0.157 -5.562 1.00 0.00 C ATOM 421 O SER A 33 14.528 -0.062 -6.733 1.00 0.00 O ATOM 422 CB SER A 33 16.435 2.129 -5.348 1.00 0.00 C ATOM 423 OG SER A 33 16.739 2.081 -6.733 1.00 0.00 O ATOM 0 H SER A 33 15.538 1.919 -3.065 1.00 0.00 H new ATOM 0 HA SER A 33 14.297 2.211 -5.617 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.524 3.155 -4.990 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.161 1.534 -4.794 1.00 0.00 H new ATOM 0 HG SER A 33 17.646 2.421 -6.881 1.00 0.00 H new ATOM 429 N ASP A 34 15.051 -0.832 -4.688 1.00 0.00 N ATOM 430 CA ASP A 34 14.987 -2.238 -5.105 1.00 0.00 C ATOM 431 C ASP A 34 13.787 -2.975 -4.515 1.00 0.00 C ATOM 432 O ASP A 34 13.848 -4.188 -4.307 1.00 0.00 O ATOM 433 CB ASP A 34 16.274 -2.986 -4.713 1.00 0.00 C ATOM 434 CG ASP A 34 17.511 -2.419 -5.379 1.00 0.00 C ATOM 435 OD1 ASP A 34 18.085 -1.443 -4.853 1.00 0.00 O ATOM 436 OD2 ASP A 34 17.918 -2.953 -6.436 1.00 0.00 O ATOM 0 H ASP A 34 15.259 -0.690 -3.699 1.00 0.00 H new ATOM 0 HA ASP A 34 14.877 -2.225 -6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 34 16.398 -2.943 -3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 34 16.173 -4.038 -4.981 1.00 0.00 H new ATOM 441 N ILE A 35 12.693 -2.272 -4.252 1.00 0.00 N ATOM 442 CA ILE A 35 11.497 -2.940 -3.760 1.00 0.00 C ATOM 443 C ILE A 35 10.310 -2.554 -4.613 1.00 0.00 C ATOM 444 O ILE A 35 10.331 -1.534 -5.304 1.00 0.00 O ATOM 445 CB ILE A 35 11.175 -2.646 -2.263 1.00 0.00 C ATOM 446 CG1 ILE A 35 10.112 -1.535 -2.121 1.00 0.00 C ATOM 447 CG2 ILE A 35 12.438 -2.298 -1.487 1.00 0.00 C ATOM 448 CD1 ILE A 35 9.713 -1.250 -0.688 1.00 0.00 C ATOM 0 H ILE A 35 12.609 -1.262 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 35 11.698 -4.009 -3.829 1.00 0.00 H new ATOM 0 HB ILE A 35 10.758 -3.557 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.495 -0.619 -2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.224 -1.820 -2.686 1.00 0.00 H new ATOM 0 HG21 ILE A 35 12.182 -2.098 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 35 13.136 -3.134 -1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 35 12.901 -1.413 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 35 8.963 -0.459 -0.669 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.299 -2.153 -0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.589 -0.933 -0.123 1.00 0.00 H new ATOM 460 N GLU A 36 9.285 -3.375 -4.568 1.00 0.00 N ATOM 461 CA GLU A 36 8.151 -3.198 -5.420 1.00 0.00 C ATOM 462 C GLU A 36 6.865 -3.378 -4.629 1.00 0.00 C ATOM 463 O GLU A 36 6.445 -4.498 -4.330 1.00 0.00 O ATOM 464 CB GLU A 36 8.298 -4.227 -6.509 1.00 0.00 C ATOM 465 CG GLU A 36 8.132 -3.713 -7.934 1.00 0.00 C ATOM 466 CD GLU A 36 8.419 -4.780 -8.967 1.00 0.00 C ATOM 467 OE1 GLU A 36 9.608 -5.116 -9.163 1.00 0.00 O ATOM 468 OE2 GLU A 36 7.466 -5.286 -9.589 1.00 0.00 O ATOM 0 H GLU A 36 9.222 -4.177 -3.941 1.00 0.00 H new ATOM 0 HA GLU A 36 8.102 -2.196 -5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.284 -4.684 -6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.565 -5.015 -6.339 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.115 -3.344 -8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.801 -2.867 -8.093 1.00 0.00 H new ATOM 475 N VAL A 37 6.295 -2.254 -4.251 1.00 0.00 N ATOM 476 CA VAL A 37 5.053 -2.204 -3.479 1.00 0.00 C ATOM 477 C VAL A 37 3.908 -1.638 -4.326 1.00 0.00 C ATOM 478 O VAL A 37 4.095 -0.665 -5.061 1.00 0.00 O ATOM 479 CB VAL A 37 5.241 -1.366 -2.173 1.00 0.00 C ATOM 480 CG1 VAL A 37 6.484 -0.494 -2.261 1.00 0.00 C ATOM 481 CG2 VAL A 37 4.016 -0.507 -1.864 1.00 0.00 C ATOM 0 H VAL A 37 6.678 -1.334 -4.469 1.00 0.00 H new ATOM 0 HA VAL A 37 4.793 -3.223 -3.193 1.00 0.00 H new ATOM 0 HB VAL A 37 5.365 -2.076 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.592 0.079 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.362 -1.125 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.390 0.190 -3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.190 0.059 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.838 0.183 -2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.145 -1.149 -1.734 1.00 0.00 H new ATOM 491 N ASP A 38 2.725 -2.254 -4.222 1.00 0.00 N ATOM 492 CA ASP A 38 1.544 -1.794 -4.953 1.00 0.00 C ATOM 493 C ASP A 38 0.319 -1.821 -4.032 1.00 0.00 C ATOM 494 O ASP A 38 0.327 -2.479 -2.990 1.00 0.00 O ATOM 495 CB ASP A 38 1.265 -2.672 -6.198 1.00 0.00 C ATOM 496 CG ASP A 38 2.347 -2.584 -7.253 1.00 0.00 C ATOM 497 OD1 ASP A 38 3.155 -3.529 -7.356 1.00 0.00 O ATOM 498 OD2 ASP A 38 2.370 -1.584 -8.003 1.00 0.00 O ATOM 0 H ASP A 38 2.562 -3.074 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 38 1.739 -0.776 -5.289 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.158 -3.710 -5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.314 -2.373 -6.638 1.00 0.00 H new ATOM 503 N LEU A 39 -0.738 -1.127 -4.437 1.00 0.00 N ATOM 504 CA LEU A 39 -1.987 -1.097 -3.675 1.00 0.00 C ATOM 505 C LEU A 39 -3.049 -1.912 -4.425 1.00 0.00 C ATOM 506 O LEU A 39 -3.273 -1.695 -5.619 1.00 0.00 O ATOM 507 CB LEU A 39 -2.458 0.350 -3.434 1.00 0.00 C ATOM 508 CG LEU A 39 -1.883 1.048 -2.175 1.00 0.00 C ATOM 509 CD1 LEU A 39 -0.386 1.291 -2.289 1.00 0.00 C ATOM 510 CD2 LEU A 39 -2.596 2.364 -1.912 1.00 0.00 C ATOM 0 H LEU A 39 -0.758 -0.573 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.821 -1.543 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.197 0.947 -4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.546 0.350 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.052 0.372 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.027 1.782 -1.384 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.129 0.338 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.185 1.927 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.175 2.835 -1.024 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.467 3.025 -2.769 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.658 2.177 -1.755 1.00 0.00 H new ATOM 522 N LEU A 40 -3.668 -2.871 -3.734 1.00 0.00 N ATOM 523 CA LEU A 40 -4.534 -3.864 -4.380 1.00 0.00 C ATOM 524 C LEU A 40 -5.965 -3.885 -3.833 1.00 0.00 C ATOM 525 O LEU A 40 -6.278 -3.280 -2.807 1.00 0.00 O ATOM 526 CB LEU A 40 -3.979 -5.277 -4.188 1.00 0.00 C ATOM 527 CG LEU A 40 -2.536 -5.541 -4.617 1.00 0.00 C ATOM 528 CD1 LEU A 40 -2.358 -7.036 -4.804 1.00 0.00 C ATOM 529 CD2 LEU A 40 -2.162 -4.812 -5.901 1.00 0.00 C ATOM 0 H LEU A 40 -3.586 -2.983 -2.723 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.555 -3.568 -5.429 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.066 -5.530 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.622 -5.967 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.875 -5.161 -3.838 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.333 -7.245 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.567 -7.548 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.046 -7.391 -5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.127 -5.036 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.816 -5.140 -6.709 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.276 -3.738 -5.756 1.00 0.00 H new ATOM 541 N LYS A 41 -6.816 -4.630 -4.546 1.00 0.00 N ATOM 542 CA LYS A 41 -8.162 -4.982 -4.110 1.00 0.00 C ATOM 543 C LYS A 41 -8.284 -6.485 -4.133 1.00 0.00 C ATOM 544 O LYS A 41 -8.384 -7.054 -5.215 1.00 0.00 O ATOM 545 CB LYS A 41 -9.225 -4.439 -5.073 1.00 0.00 C ATOM 546 CG LYS A 41 -8.837 -3.118 -5.714 1.00 0.00 C ATOM 547 CD LYS A 41 -9.852 -2.606 -6.765 1.00 0.00 C ATOM 548 CE LYS A 41 -11.300 -2.488 -6.251 1.00 0.00 C ATOM 549 NZ LYS A 41 -11.406 -1.628 -5.043 1.00 0.00 N ATOM 0 H LYS A 41 -6.578 -5.011 -5.462 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.319 -4.559 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.406 -5.175 -5.856 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.163 -4.311 -4.533 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.727 -2.365 -4.933 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.862 -3.229 -6.189 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.525 -1.629 -7.121 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.838 -3.279 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.930 -2.079 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.683 -3.482 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.403 -1.553 -4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.854 -2.048 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.035 -0.680 -5.258 1.00 0.00 H new ATOM 563 N ASN A 42 -8.325 -7.115 -2.963 1.00 0.00 N ATOM 564 CA ASN A 42 -8.356 -8.573 -2.860 1.00 0.00 C ATOM 565 C ASN A 42 -7.482 -9.223 -3.942 1.00 0.00 C ATOM 566 O ASN A 42 -7.919 -10.125 -4.660 1.00 0.00 O ATOM 567 CB ASN A 42 -9.813 -9.100 -2.951 1.00 0.00 C ATOM 568 CG ASN A 42 -10.871 -8.017 -3.132 1.00 0.00 C ATOM 569 OD1 ASN A 42 -11.564 -7.657 -2.199 1.00 0.00 O ATOM 570 ND2 ASN A 42 -11.008 -7.484 -4.337 1.00 0.00 N ATOM 0 H ASN A 42 -8.338 -6.634 -2.064 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.949 -8.847 -1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.881 -9.799 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -10.039 -9.662 -2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.705 -6.757 -4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -10.416 -7.801 -5.105 1.00 0.00 H new ATOM 577 N GLY A 43 -6.239 -8.757 -4.036 1.00 0.00 N ATOM 578 CA GLY A 43 -5.319 -9.281 -5.031 1.00 0.00 C ATOM 579 C GLY A 43 -5.500 -8.727 -6.443 1.00 0.00 C ATOM 580 O GLY A 43 -5.127 -9.390 -7.411 1.00 0.00 O ATOM 0 H GLY A 43 -5.852 -8.025 -3.440 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.300 -9.073 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.427 -10.365 -5.067 1.00 0.00 H new ATOM 584 N GLU A 44 -6.044 -7.524 -6.579 1.00 0.00 N ATOM 585 CA GLU A 44 -6.246 -6.921 -7.898 1.00 0.00 C ATOM 586 C GLU A 44 -5.637 -5.520 -7.920 1.00 0.00 C ATOM 587 O GLU A 44 -5.986 -4.673 -7.099 1.00 0.00 O ATOM 588 CB GLU A 44 -7.744 -6.871 -8.244 1.00 0.00 C ATOM 589 CG GLU A 44 -8.062 -6.275 -9.618 1.00 0.00 C ATOM 590 CD GLU A 44 -7.428 -7.041 -10.761 1.00 0.00 C ATOM 591 OE1 GLU A 44 -8.161 -7.741 -11.488 1.00 0.00 O ATOM 592 OE2 GLU A 44 -6.198 -6.939 -10.949 1.00 0.00 O ATOM 0 H GLU A 44 -6.353 -6.946 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.749 -7.533 -8.651 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.148 -7.883 -8.199 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.260 -6.288 -7.481 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.143 -6.256 -9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.718 -5.241 -9.647 1.00 0.00 H new ATOM 599 N ARG A 45 -4.692 -5.309 -8.830 1.00 0.00 N ATOM 600 CA ARG A 45 -3.996 -4.031 -8.968 1.00 0.00 C ATOM 601 C ARG A 45 -4.990 -2.897 -9.230 1.00 0.00 C ATOM 602 O ARG A 45 -5.689 -2.881 -10.244 1.00 0.00 O ATOM 603 CB ARG A 45 -2.971 -4.130 -10.116 1.00 0.00 C ATOM 604 CG ARG A 45 -1.716 -3.288 -9.923 1.00 0.00 C ATOM 605 CD ARG A 45 -0.766 -3.369 -11.124 1.00 0.00 C ATOM 606 NE ARG A 45 -1.322 -2.672 -12.286 1.00 0.00 N ATOM 607 CZ ARG A 45 -0.729 -1.667 -12.927 1.00 0.00 C ATOM 608 NH1 ARG A 45 0.458 -1.217 -12.537 1.00 0.00 N ATOM 609 NH2 ARG A 45 -1.337 -1.111 -13.966 1.00 0.00 N ATOM 0 H ARG A 45 -4.385 -6.019 -9.495 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.474 -3.807 -8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.678 -5.173 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.455 -3.828 -11.045 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.001 -2.249 -9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.193 -3.621 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.197 -2.931 -10.860 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.583 -4.413 -11.376 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.232 -2.980 -12.630 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.927 -1.642 -11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.901 -0.446 -13.037 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.249 -1.454 -14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.892 -0.340 -14.465 1.00 0.00 H new ATOM 623 N ILE A 46 -5.042 -1.963 -8.276 1.00 0.00 N ATOM 624 CA ILE A 46 -5.956 -0.825 -8.325 1.00 0.00 C ATOM 625 C ILE A 46 -5.690 0.062 -9.526 1.00 0.00 C ATOM 626 O ILE A 46 -6.588 0.251 -10.336 1.00 0.00 O ATOM 627 CB ILE A 46 -5.840 0.019 -7.047 1.00 0.00 C ATOM 628 CG1 ILE A 46 -6.190 -0.845 -5.829 1.00 0.00 C ATOM 629 CG2 ILE A 46 -6.743 1.252 -7.113 1.00 0.00 C ATOM 630 CD1 ILE A 46 -6.068 -0.160 -4.492 1.00 0.00 C ATOM 0 H ILE A 46 -4.448 -1.978 -7.447 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.963 -1.233 -8.410 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.813 0.371 -6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.213 -1.204 -5.942 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.543 -1.722 -5.829 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.639 1.829 -6.194 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.454 1.869 -7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.780 0.938 -7.228 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.338 -0.858 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.041 0.174 -4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.737 0.700 -4.461 1.00 0.00 H new ATOM 642 N GLU A 47 -4.518 0.723 -9.504 1.00 0.00 N ATOM 643 CA GLU A 47 -3.884 1.363 -10.680 1.00 0.00 C ATOM 644 C GLU A 47 -3.519 2.801 -10.375 1.00 0.00 C ATOM 645 O GLU A 47 -2.434 3.262 -10.733 1.00 0.00 O ATOM 646 CB GLU A 47 -4.762 1.392 -11.941 1.00 0.00 C ATOM 647 CG GLU A 47 -4.884 0.084 -12.692 1.00 0.00 C ATOM 648 CD GLU A 47 -6.287 -0.175 -13.199 1.00 0.00 C ATOM 649 OE1 GLU A 47 -6.863 -1.231 -12.872 1.00 0.00 O ATOM 650 OE2 GLU A 47 -6.820 0.679 -13.938 1.00 0.00 O ATOM 0 H GLU A 47 -3.970 0.832 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.009 0.744 -10.881 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.762 1.720 -11.657 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.362 2.143 -12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.193 0.089 -13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.582 -0.734 -12.038 1.00 0.00 H new ATOM 657 N LYS A 48 -4.426 3.514 -9.718 1.00 0.00 N ATOM 658 CA LYS A 48 -4.273 4.950 -9.508 1.00 0.00 C ATOM 659 C LYS A 48 -3.314 5.232 -8.359 1.00 0.00 C ATOM 660 O LYS A 48 -3.618 6.033 -7.478 1.00 0.00 O ATOM 661 CB LYS A 48 -5.627 5.601 -9.168 1.00 0.00 C ATOM 662 CG LYS A 48 -6.823 5.137 -10.008 1.00 0.00 C ATOM 663 CD LYS A 48 -6.556 5.229 -11.503 1.00 0.00 C ATOM 664 CE LYS A 48 -6.241 6.651 -11.935 1.00 0.00 C ATOM 665 NZ LYS A 48 -6.188 6.773 -13.414 1.00 0.00 N ATOM 0 H LYS A 48 -5.278 3.120 -9.320 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.879 5.369 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.848 5.407 -8.118 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.527 6.681 -9.279 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.067 4.107 -9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.694 5.743 -9.760 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.722 4.577 -11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.427 4.868 -12.050 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.998 7.328 -11.540 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.286 6.958 -11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.971 7.756 -13.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.448 6.145 -13.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.108 6.503 -13.818 1.00 0.00 H new ATOM 679 N VAL A 49 -2.143 4.623 -8.383 1.00 0.00 N ATOM 680 CA VAL A 49 -1.207 4.781 -7.291 1.00 0.00 C ATOM 681 C VAL A 49 0.054 5.423 -7.840 1.00 0.00 C ATOM 682 O VAL A 49 0.581 4.995 -8.872 1.00 0.00 O ATOM 683 CB VAL A 49 -0.891 3.437 -6.570 1.00 0.00 C ATOM 684 CG1 VAL A 49 0.502 2.921 -6.888 1.00 0.00 C ATOM 685 CG2 VAL A 49 -1.052 3.596 -5.071 1.00 0.00 C ATOM 0 H VAL A 49 -1.821 4.020 -9.140 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.657 5.420 -6.531 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.604 2.701 -6.941 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.672 1.982 -6.360 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.592 2.755 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.243 3.655 -6.570 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.828 2.650 -4.579 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.367 4.363 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.077 3.890 -4.844 1.00 0.00 H new ATOM 695 N GLU A 50 0.504 6.475 -7.191 1.00 0.00 N ATOM 696 CA GLU A 50 1.656 7.214 -7.678 1.00 0.00 C ATOM 697 C GLU A 50 2.514 7.747 -6.552 1.00 0.00 C ATOM 698 O GLU A 50 2.077 8.583 -5.765 1.00 0.00 O ATOM 699 CB GLU A 50 1.211 8.376 -8.574 1.00 0.00 C ATOM 700 CG GLU A 50 1.030 7.987 -10.030 1.00 0.00 C ATOM 701 CD GLU A 50 2.342 7.593 -10.681 1.00 0.00 C ATOM 702 OE1 GLU A 50 3.131 8.498 -11.023 1.00 0.00 O ATOM 703 OE2 GLU A 50 2.596 6.382 -10.854 1.00 0.00 O ATOM 0 H GLU A 50 0.095 6.839 -6.330 1.00 0.00 H new ATOM 0 HA GLU A 50 2.258 6.512 -8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.271 8.777 -8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.948 9.176 -8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.328 7.156 -10.099 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.591 8.822 -10.576 1.00 0.00 H new ATOM 710 N HIS A 51 3.720 7.220 -6.463 1.00 0.00 N ATOM 711 CA HIS A 51 4.767 7.819 -5.671 1.00 0.00 C ATOM 712 C HIS A 51 6.076 7.307 -6.218 1.00 0.00 C ATOM 713 O HIS A 51 6.214 6.115 -6.496 1.00 0.00 O ATOM 714 CB HIS A 51 4.621 7.482 -4.184 1.00 0.00 C ATOM 715 CG HIS A 51 5.173 8.547 -3.277 1.00 0.00 C ATOM 716 ND1 HIS A 51 4.345 9.282 -2.466 1.00 0.00 N ATOM 717 CD2 HIS A 51 6.453 8.975 -3.103 1.00 0.00 C ATOM 718 CE1 HIS A 51 5.123 10.133 -1.824 1.00 0.00 C ATOM 719 NE2 HIS A 51 6.409 9.987 -2.175 1.00 0.00 N ATOM 0 H HIS A 51 3.998 6.363 -6.940 1.00 0.00 H new ATOM 0 HA HIS A 51 4.715 8.906 -5.737 1.00 0.00 H new ATOM 0 HB2 HIS A 51 3.566 7.330 -3.955 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.131 6.540 -3.980 1.00 0.00 H new ATOM 0 HD2 HIS A 51 7.333 8.593 -3.599 1.00 0.00 H new ATOM 0 HE1 HIS A 51 4.768 10.857 -1.105 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.201 10.524 -1.821 1.00 0.00 H new ATOM 727 N SER A 52 7.022 8.192 -6.398 1.00 0.00 N ATOM 728 CA SER A 52 8.230 7.837 -7.101 1.00 0.00 C ATOM 729 C SER A 52 9.334 7.425 -6.149 1.00 0.00 C ATOM 730 O SER A 52 9.784 8.207 -5.306 1.00 0.00 O ATOM 731 CB SER A 52 8.678 9.014 -7.968 1.00 0.00 C ATOM 732 OG SER A 52 8.603 10.236 -7.249 1.00 0.00 O ATOM 0 H SER A 52 6.982 9.157 -6.071 1.00 0.00 H new ATOM 0 HA SER A 52 8.017 6.977 -7.736 1.00 0.00 H new ATOM 0 HB2 SER A 52 9.701 8.851 -8.308 1.00 0.00 H new ATOM 0 HB3 SER A 52 8.052 9.073 -8.858 1.00 0.00 H new ATOM 0 HG SER A 52 8.957 10.106 -6.345 1.00 0.00 H new ATOM 738 N ASP A 53 9.747 6.172 -6.286 1.00 0.00 N ATOM 739 CA ASP A 53 10.900 5.658 -5.577 1.00 0.00 C ATOM 740 C ASP A 53 12.121 6.474 -5.966 1.00 0.00 C ATOM 741 O ASP A 53 12.212 6.984 -7.084 1.00 0.00 O ATOM 742 CB ASP A 53 11.111 4.170 -5.889 1.00 0.00 C ATOM 743 CG ASP A 53 11.202 3.881 -7.376 1.00 0.00 C ATOM 744 OD1 ASP A 53 12.315 3.610 -7.870 1.00 0.00 O ATOM 745 OD2 ASP A 53 10.151 3.915 -8.056 1.00 0.00 O ATOM 0 H ASP A 53 9.291 5.489 -6.891 1.00 0.00 H new ATOM 0 HA ASP A 53 10.736 5.745 -4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.024 3.829 -5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.289 3.595 -5.463 1.00 0.00 H new ATOM 750 N LEU A 54 13.057 6.599 -5.048 1.00 0.00 N ATOM 751 CA LEU A 54 14.144 7.555 -5.217 1.00 0.00 C ATOM 752 C LEU A 54 15.409 6.864 -5.701 1.00 0.00 C ATOM 753 O LEU A 54 15.376 5.713 -6.141 1.00 0.00 O ATOM 754 CB LEU A 54 14.448 8.379 -3.931 1.00 0.00 C ATOM 755 CG LEU A 54 13.997 7.818 -2.555 1.00 0.00 C ATOM 756 CD1 LEU A 54 12.474 7.744 -2.425 1.00 0.00 C ATOM 757 CD2 LEU A 54 14.630 6.456 -2.269 1.00 0.00 C ATOM 0 H LEU A 54 13.092 6.059 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 54 13.802 8.261 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 54 15.526 8.534 -3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.990 9.360 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 54 14.352 8.524 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 54 12.211 7.345 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 54 12.050 8.742 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 54 12.074 7.092 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.292 6.094 -1.298 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.335 5.748 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 54 15.716 6.554 -2.262 1.00 0.00 H new ATOM 769 N SER A 55 16.522 7.562 -5.575 1.00 0.00 N ATOM 770 CA SER A 55 17.786 7.082 -6.108 1.00 0.00 C ATOM 771 C SER A 55 18.712 6.695 -4.964 1.00 0.00 C ATOM 772 O SER A 55 19.596 5.854 -5.113 1.00 0.00 O ATOM 773 CB SER A 55 18.438 8.154 -6.980 1.00 0.00 C ATOM 774 OG SER A 55 17.583 8.542 -8.043 1.00 0.00 O ATOM 0 H SER A 55 16.578 8.466 -5.107 1.00 0.00 H new ATOM 0 HA SER A 55 17.599 6.204 -6.726 1.00 0.00 H new ATOM 0 HB2 SER A 55 18.681 9.024 -6.370 1.00 0.00 H new ATOM 0 HB3 SER A 55 19.377 7.776 -7.385 1.00 0.00 H new ATOM 0 HG SER A 55 18.025 9.230 -8.584 1.00 0.00 H new ATOM 780 N PHE A 56 18.478 7.304 -3.810 1.00 0.00 N ATOM 781 CA PHE A 56 19.320 7.094 -2.649 1.00 0.00 C ATOM 782 C PHE A 56 18.676 6.117 -1.675 1.00 0.00 C ATOM 783 O PHE A 56 17.706 6.435 -0.994 1.00 0.00 O ATOM 784 CB PHE A 56 19.634 8.434 -1.960 1.00 0.00 C ATOM 785 CG PHE A 56 18.445 9.350 -1.786 1.00 0.00 C ATOM 786 CD1 PHE A 56 18.021 10.162 -2.827 1.00 0.00 C ATOM 787 CD2 PHE A 56 17.762 9.405 -0.581 1.00 0.00 C ATOM 788 CE1 PHE A 56 16.939 11.009 -2.669 1.00 0.00 C ATOM 789 CE2 PHE A 56 16.679 10.250 -0.418 1.00 0.00 C ATOM 790 CZ PHE A 56 16.267 11.052 -1.465 1.00 0.00 C ATOM 0 H PHE A 56 17.705 7.952 -3.656 1.00 0.00 H new ATOM 0 HA PHE A 56 20.259 6.655 -2.985 1.00 0.00 H new ATOM 0 HB2 PHE A 56 20.065 8.230 -0.980 1.00 0.00 H new ATOM 0 HB3 PHE A 56 20.395 8.956 -2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 56 18.542 10.133 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 56 18.079 8.780 0.241 1.00 0.00 H new ATOM 0 HE1 PHE A 56 16.620 11.637 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 56 16.156 10.283 0.526 1.00 0.00 H new ATOM 0 HZ PHE A 56 15.421 11.711 -1.341 1.00 0.00 H new ATOM 800 N SER A 57 19.190 4.906 -1.662 1.00 0.00 N ATOM 801 CA SER A 57 18.782 3.906 -0.695 1.00 0.00 C ATOM 802 C SER A 57 20.016 3.353 0.013 1.00 0.00 C ATOM 803 O SER A 57 20.618 2.380 -0.441 1.00 0.00 O ATOM 804 CB SER A 57 18.011 2.788 -1.399 1.00 0.00 C ATOM 805 OG SER A 57 16.913 3.316 -2.131 1.00 0.00 O ATOM 0 H SER A 57 19.901 4.586 -2.319 1.00 0.00 H new ATOM 0 HA SER A 57 18.125 4.358 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.677 2.249 -2.072 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.651 2.069 -0.663 1.00 0.00 H new ATOM 0 HG SER A 57 17.233 3.680 -2.983 1.00 0.00 H new ATOM 811 N LYS A 58 20.405 4.007 1.106 1.00 0.00 N ATOM 812 CA LYS A 58 21.609 3.628 1.839 1.00 0.00 C ATOM 813 C LYS A 58 21.414 2.292 2.549 1.00 0.00 C ATOM 814 O LYS A 58 21.875 1.256 2.068 1.00 0.00 O ATOM 815 CB LYS A 58 22.007 4.724 2.832 1.00 0.00 C ATOM 816 CG LYS A 58 22.263 6.072 2.168 1.00 0.00 C ATOM 817 CD LYS A 58 22.776 7.113 3.152 1.00 0.00 C ATOM 818 CE LYS A 58 21.784 7.369 4.274 1.00 0.00 C ATOM 819 NZ LYS A 58 22.192 8.513 5.133 1.00 0.00 N ATOM 0 H LYS A 58 19.903 4.802 1.503 1.00 0.00 H new ATOM 0 HA LYS A 58 22.421 3.511 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.217 4.836 3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.905 4.413 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.989 5.947 1.364 1.00 0.00 H new ATOM 0 HG3 LYS A 58 21.340 6.431 1.711 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.723 6.778 3.574 1.00 0.00 H new ATOM 0 HD3 LYS A 58 22.975 8.045 2.623 1.00 0.00 H new ATOM 0 HE2 LYS A 58 20.800 7.569 3.849 1.00 0.00 H new ATOM 0 HE3 LYS A 58 21.691 6.472 4.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 21.487 8.652 5.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 23.119 8.313 5.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 22.256 9.375 4.555 1.00 0.00 H new ATOM 833 N ASP A 59 20.746 2.302 3.699 1.00 0.00 N ATOM 834 CA ASP A 59 20.379 1.059 4.366 1.00 0.00 C ATOM 835 C ASP A 59 18.971 1.165 4.934 1.00 0.00 C ATOM 836 O ASP A 59 18.518 0.286 5.671 1.00 0.00 O ATOM 837 CB ASP A 59 21.372 0.714 5.486 1.00 0.00 C ATOM 838 CG ASP A 59 21.379 1.729 6.614 1.00 0.00 C ATOM 839 OD1 ASP A 59 22.154 2.701 6.538 1.00 0.00 O ATOM 840 OD2 ASP A 59 20.625 1.551 7.596 1.00 0.00 O ATOM 0 H ASP A 59 20.450 3.149 4.184 1.00 0.00 H new ATOM 0 HA ASP A 59 20.410 0.259 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 59 21.126 -0.268 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 59 22.375 0.643 5.064 1.00 0.00 H new ATOM 845 N TRP A 60 18.272 2.234 4.568 1.00 0.00 N ATOM 846 CA TRP A 60 16.925 2.465 5.067 1.00 0.00 C ATOM 847 C TRP A 60 15.957 2.806 3.958 1.00 0.00 C ATOM 848 O TRP A 60 16.322 2.853 2.780 1.00 0.00 O ATOM 849 CB TRP A 60 16.893 3.581 6.124 1.00 0.00 C ATOM 850 CG TRP A 60 17.558 4.904 5.780 1.00 0.00 C ATOM 851 CD1 TRP A 60 18.296 5.649 6.658 1.00 0.00 C ATOM 852 CD2 TRP A 60 17.556 5.664 4.531 1.00 0.00 C ATOM 853 NE1 TRP A 60 18.728 6.800 6.062 1.00 0.00 N ATOM 854 CE2 TRP A 60 18.305 6.833 4.768 1.00 0.00 C ATOM 855 CE3 TRP A 60 17.006 5.489 3.243 1.00 0.00 C ATOM 856 CZ2 TRP A 60 18.519 7.805 3.791 1.00 0.00 C ATOM 857 CZ3 TRP A 60 17.226 6.455 2.280 1.00 0.00 C ATOM 858 CH2 TRP A 60 17.974 7.598 2.557 1.00 0.00 C ATOM 0 H TRP A 60 18.616 2.951 3.929 1.00 0.00 H new ATOM 0 HA TRP A 60 16.612 1.528 5.527 1.00 0.00 H new ATOM 0 HB2 TRP A 60 15.850 3.784 6.365 1.00 0.00 H new ATOM 0 HB3 TRP A 60 17.361 3.197 7.030 1.00 0.00 H new ATOM 0 HD1 TRP A 60 18.508 5.367 7.679 1.00 0.00 H new ATOM 0 HE1 TRP A 60 19.283 7.525 6.517 1.00 0.00 H new ATOM 0 HE3 TRP A 60 16.421 4.611 3.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 19.097 8.692 4.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 16.810 6.322 1.292 1.00 0.00 H new ATOM 0 HH2 TRP A 60 18.125 8.334 1.781 1.00 0.00 H new ATOM 869 N SER A 61 14.715 3.008 4.355 1.00 0.00 N ATOM 870 CA SER A 61 13.734 3.679 3.531 1.00 0.00 C ATOM 871 C SER A 61 13.095 4.758 4.372 1.00 0.00 C ATOM 872 O SER A 61 12.294 5.553 3.883 1.00 0.00 O ATOM 873 CB SER A 61 12.656 2.713 3.055 1.00 0.00 C ATOM 874 OG SER A 61 11.842 2.286 4.131 1.00 0.00 O ATOM 0 H SER A 61 14.359 2.709 5.263 1.00 0.00 H new ATOM 0 HA SER A 61 14.223 4.094 2.650 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.039 3.197 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 61 13.122 1.848 2.582 1.00 0.00 H new ATOM 0 HG SER A 61 11.505 1.384 3.948 1.00 0.00 H new ATOM 880 N PHE A 62 13.513 4.765 5.647 1.00 0.00 N ATOM 881 CA PHE A 62 12.910 5.545 6.724 1.00 0.00 C ATOM 882 C PHE A 62 11.390 5.365 6.780 1.00 0.00 C ATOM 883 O PHE A 62 10.885 4.674 7.662 1.00 0.00 O ATOM 884 CB PHE A 62 13.349 7.030 6.733 1.00 0.00 C ATOM 885 CG PHE A 62 13.421 7.733 5.402 1.00 0.00 C ATOM 886 CD1 PHE A 62 12.320 8.393 4.874 1.00 0.00 C ATOM 887 CD2 PHE A 62 14.604 7.740 4.684 1.00 0.00 C ATOM 888 CE1 PHE A 62 12.402 9.040 3.656 1.00 0.00 C ATOM 889 CE2 PHE A 62 14.692 8.384 3.467 1.00 0.00 C ATOM 890 CZ PHE A 62 13.589 9.035 2.951 1.00 0.00 C ATOM 0 H PHE A 62 14.307 4.207 5.961 1.00 0.00 H new ATOM 0 HA PHE A 62 13.305 5.134 7.653 1.00 0.00 H new ATOM 0 HB2 PHE A 62 12.659 7.583 7.371 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.332 7.089 7.200 1.00 0.00 H new ATOM 0 HD1 PHE A 62 11.389 8.401 5.421 1.00 0.00 H new ATOM 0 HD2 PHE A 62 15.471 7.234 5.082 1.00 0.00 H new ATOM 0 HE1 PHE A 62 11.538 9.549 3.256 1.00 0.00 H new ATOM 0 HE2 PHE A 62 15.622 8.379 2.919 1.00 0.00 H new ATOM 0 HZ PHE A 62 13.655 9.539 1.998 1.00 0.00 H new ATOM 900 N TYR A 63 10.667 5.980 5.867 1.00 0.00 N ATOM 901 CA TYR A 63 9.221 5.849 5.805 1.00 0.00 C ATOM 902 C TYR A 63 8.776 5.800 4.342 1.00 0.00 C ATOM 903 O TYR A 63 8.901 6.789 3.616 1.00 0.00 O ATOM 904 CB TYR A 63 8.633 7.065 6.537 1.00 0.00 C ATOM 905 CG TYR A 63 7.128 7.277 6.415 1.00 0.00 C ATOM 906 CD1 TYR A 63 6.234 6.627 7.258 1.00 0.00 C ATOM 907 CD2 TYR A 63 6.612 8.162 5.472 1.00 0.00 C ATOM 908 CE1 TYR A 63 4.869 6.851 7.162 1.00 0.00 C ATOM 909 CE2 TYR A 63 5.246 8.386 5.366 1.00 0.00 C ATOM 910 CZ TYR A 63 4.383 7.727 6.216 1.00 0.00 C ATOM 911 OH TYR A 63 3.027 7.948 6.123 1.00 0.00 O ATOM 0 H TYR A 63 11.062 6.585 5.147 1.00 0.00 H new ATOM 0 HA TYR A 63 8.873 4.930 6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 63 8.879 6.977 7.595 1.00 0.00 H new ATOM 0 HB3 TYR A 63 9.134 7.960 6.167 1.00 0.00 H new ATOM 0 HD1 TYR A 63 6.609 5.937 7.999 1.00 0.00 H new ATOM 0 HD2 TYR A 63 7.287 8.684 4.810 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.188 6.340 7.827 1.00 0.00 H new ATOM 0 HE2 TYR A 63 4.862 9.071 4.624 1.00 0.00 H new ATOM 0 HH TYR A 63 2.865 8.860 5.803 1.00 0.00 H new ATOM 921 N LEU A 64 8.268 4.650 3.908 1.00 0.00 N ATOM 922 CA LEU A 64 7.807 4.494 2.532 1.00 0.00 C ATOM 923 C LEU A 64 6.278 4.525 2.487 1.00 0.00 C ATOM 924 O LEU A 64 5.613 3.743 3.168 1.00 0.00 O ATOM 925 CB LEU A 64 8.295 3.141 1.974 1.00 0.00 C ATOM 926 CG LEU A 64 9.640 3.114 1.218 1.00 0.00 C ATOM 927 CD1 LEU A 64 10.133 1.682 1.097 1.00 0.00 C ATOM 928 CD2 LEU A 64 9.470 3.726 -0.165 1.00 0.00 C ATOM 0 H LEU A 64 8.165 3.816 4.486 1.00 0.00 H new ATOM 0 HA LEU A 64 8.207 5.311 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.366 2.442 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.526 2.760 1.302 1.00 0.00 H new ATOM 0 HG LEU A 64 10.374 3.697 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.083 1.668 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.270 1.259 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.400 1.090 0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.424 3.703 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.731 3.155 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.134 4.758 -0.067 1.00 0.00 H new ATOM 940 N LEU A 65 5.726 5.439 1.689 1.00 0.00 N ATOM 941 CA LEU A 65 4.273 5.594 1.555 1.00 0.00 C ATOM 942 C LEU A 65 3.881 5.871 0.092 1.00 0.00 C ATOM 943 O LEU A 65 4.575 6.600 -0.613 1.00 0.00 O ATOM 944 CB LEU A 65 3.839 6.767 2.456 1.00 0.00 C ATOM 945 CG LEU A 65 2.403 7.299 2.315 1.00 0.00 C ATOM 946 CD1 LEU A 65 1.563 6.880 3.505 1.00 0.00 C ATOM 947 CD2 LEU A 65 2.405 8.817 2.203 1.00 0.00 C ATOM 0 H LEU A 65 6.267 6.090 1.120 1.00 0.00 H new ATOM 0 HA LEU A 65 3.773 4.674 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.980 6.461 3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.521 7.597 2.273 1.00 0.00 H new ATOM 0 HG LEU A 65 1.973 6.875 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.550 7.265 3.389 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.533 5.792 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.001 7.281 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.381 9.176 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.855 9.247 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.981 9.116 1.327 1.00 0.00 H new ATOM 959 N TYR A 66 2.781 5.265 -0.350 1.00 0.00 N ATOM 960 CA TYR A 66 2.207 5.507 -1.682 1.00 0.00 C ATOM 961 C TYR A 66 0.740 5.924 -1.525 1.00 0.00 C ATOM 962 O TYR A 66 0.149 5.672 -0.475 1.00 0.00 O ATOM 963 CB TYR A 66 2.300 4.231 -2.539 1.00 0.00 C ATOM 964 CG TYR A 66 3.714 3.900 -2.994 1.00 0.00 C ATOM 965 CD1 TYR A 66 4.657 3.382 -2.114 1.00 0.00 C ATOM 966 CD2 TYR A 66 4.096 4.096 -4.314 1.00 0.00 C ATOM 967 CE1 TYR A 66 5.941 3.072 -2.541 1.00 0.00 C ATOM 968 CE2 TYR A 66 5.373 3.791 -4.746 1.00 0.00 C ATOM 969 CZ TYR A 66 6.290 3.279 -3.859 1.00 0.00 C ATOM 970 OH TYR A 66 7.564 2.975 -4.294 1.00 0.00 O ATOM 0 H TYR A 66 2.257 4.588 0.204 1.00 0.00 H new ATOM 0 HA TYR A 66 2.764 6.301 -2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.906 3.391 -1.967 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.663 4.346 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.386 3.218 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.381 4.495 -5.018 1.00 0.00 H new ATOM 0 HE1 TYR A 66 6.663 2.671 -1.845 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.650 3.954 -5.777 1.00 0.00 H new ATOM 0 HH TYR A 66 7.641 3.180 -5.249 1.00 0.00 H new ATOM 980 N TYR A 67 0.137 6.544 -2.547 1.00 0.00 N ATOM 981 CA TYR A 67 -1.248 7.012 -2.413 1.00 0.00 C ATOM 982 C TYR A 67 -2.122 6.632 -3.618 1.00 0.00 C ATOM 983 O TYR A 67 -1.688 6.734 -4.765 1.00 0.00 O ATOM 984 CB TYR A 67 -1.318 8.532 -2.147 1.00 0.00 C ATOM 985 CG TYR A 67 -0.635 9.449 -3.163 1.00 0.00 C ATOM 986 CD1 TYR A 67 -1.232 9.765 -4.383 1.00 0.00 C ATOM 987 CD2 TYR A 67 0.589 10.042 -2.874 1.00 0.00 C ATOM 988 CE1 TYR A 67 -0.628 10.634 -5.276 1.00 0.00 C ATOM 989 CE2 TYR A 67 1.199 10.908 -3.765 1.00 0.00 C ATOM 990 CZ TYR A 67 0.585 11.200 -4.962 1.00 0.00 C ATOM 991 OH TYR A 67 1.191 12.064 -5.851 1.00 0.00 O ATOM 0 H TYR A 67 0.571 6.730 -3.451 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.655 6.496 -1.544 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.368 8.817 -2.087 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.879 8.725 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.184 9.323 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.074 9.822 -1.934 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.108 10.866 -6.215 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.153 11.353 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 67 2.041 12.376 -5.476 1.00 0.00 H new ATOM 1001 N THR A 68 -3.350 6.174 -3.335 1.00 0.00 N ATOM 1002 CA THR A 68 -4.340 5.866 -4.375 1.00 0.00 C ATOM 1003 C THR A 68 -5.741 6.259 -3.893 1.00 0.00 C ATOM 1004 O THR A 68 -6.036 6.200 -2.693 1.00 0.00 O ATOM 1005 CB THR A 68 -4.349 4.357 -4.767 1.00 0.00 C ATOM 1006 OG1 THR A 68 -5.021 4.172 -6.019 1.00 0.00 O ATOM 1007 CG2 THR A 68 -5.059 3.501 -3.732 1.00 0.00 C ATOM 0 H THR A 68 -3.683 6.008 -2.385 1.00 0.00 H new ATOM 0 HA THR A 68 -4.059 6.440 -5.258 1.00 0.00 H new ATOM 0 HB THR A 68 -3.306 4.048 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.881 3.254 -6.333 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.040 2.458 -4.048 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.554 3.598 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.093 3.832 -3.634 1.00 0.00 H new ATOM 1015 N GLU A 69 -6.574 6.702 -4.828 1.00 0.00 N ATOM 1016 CA GLU A 69 -7.995 6.952 -4.565 1.00 0.00 C ATOM 1017 C GLU A 69 -8.711 5.650 -4.197 1.00 0.00 C ATOM 1018 O GLU A 69 -8.516 4.631 -4.863 1.00 0.00 O ATOM 1019 CB GLU A 69 -8.668 7.546 -5.817 1.00 0.00 C ATOM 1020 CG GLU A 69 -10.185 7.638 -5.714 1.00 0.00 C ATOM 1021 CD GLU A 69 -10.838 7.954 -7.040 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -11.153 7.008 -7.794 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -11.051 9.149 -7.328 1.00 0.00 O ATOM 0 H GLU A 69 -6.289 6.899 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.066 7.654 -3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.264 8.542 -5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.408 6.936 -6.682 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.578 6.695 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.451 8.408 -4.989 1.00 0.00 H new ATOM 1030 N PHE A 70 -9.526 5.666 -3.140 1.00 0.00 N ATOM 1031 CA PHE A 70 -10.332 4.500 -2.808 1.00 0.00 C ATOM 1032 C PHE A 70 -11.789 4.861 -2.600 1.00 0.00 C ATOM 1033 O PHE A 70 -12.122 6.014 -2.359 1.00 0.00 O ATOM 1034 CB PHE A 70 -9.780 3.790 -1.563 1.00 0.00 C ATOM 1035 CG PHE A 70 -10.027 4.450 -0.216 1.00 0.00 C ATOM 1036 CD1 PHE A 70 -8.963 4.719 0.626 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -11.303 4.772 0.220 1.00 0.00 C ATOM 1038 CE1 PHE A 70 -9.165 5.296 1.869 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -11.510 5.354 1.455 1.00 0.00 C ATOM 1040 CZ PHE A 70 -10.441 5.616 2.281 1.00 0.00 C ATOM 0 H PHE A 70 -9.641 6.461 -2.512 1.00 0.00 H new ATOM 0 HA PHE A 70 -10.275 3.819 -3.657 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -10.206 2.787 -1.530 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.704 3.675 -1.690 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.960 4.475 0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -12.150 4.564 -0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.323 5.495 2.515 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -12.512 5.604 1.773 1.00 0.00 H new ATOM 0 HZ PHE A 70 -10.601 6.070 3.248 1.00 0.00 H new ATOM 1050 N THR A 71 -12.651 3.870 -2.750 1.00 0.00 N ATOM 1051 CA THR A 71 -14.028 3.969 -2.296 1.00 0.00 C ATOM 1052 C THR A 71 -14.467 2.643 -1.658 1.00 0.00 C ATOM 1053 O THR A 71 -14.586 1.639 -2.357 1.00 0.00 O ATOM 1054 CB THR A 71 -14.947 4.336 -3.484 1.00 0.00 C ATOM 1055 OG1 THR A 71 -14.438 5.511 -4.128 1.00 0.00 O ATOM 1056 CG2 THR A 71 -16.374 4.589 -3.027 1.00 0.00 C ATOM 0 H THR A 71 -12.418 2.978 -3.187 1.00 0.00 H new ATOM 0 HA THR A 71 -14.104 4.754 -1.544 1.00 0.00 H new ATOM 0 HB THR A 71 -14.959 3.496 -4.179 1.00 0.00 H new ATOM 0 HG1 THR A 71 -15.017 5.747 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.992 4.844 -3.888 1.00 0.00 H new ATOM 0 HG22 THR A 71 -16.768 3.691 -2.551 1.00 0.00 H new ATOM 0 HG23 THR A 71 -16.387 5.413 -2.314 1.00 0.00 H new ATOM 1064 N PRO A 72 -14.672 2.590 -0.319 1.00 0.00 N ATOM 1065 CA PRO A 72 -15.045 1.344 0.343 1.00 0.00 C ATOM 1066 C PRO A 72 -16.462 0.926 0.017 1.00 0.00 C ATOM 1067 O PRO A 72 -17.391 1.733 0.029 1.00 0.00 O ATOM 1068 CB PRO A 72 -14.896 1.615 1.846 1.00 0.00 C ATOM 1069 CG PRO A 72 -14.509 3.060 1.994 1.00 0.00 C ATOM 1070 CD PRO A 72 -14.577 3.716 0.634 1.00 0.00 C ATOM 0 HA PRO A 72 -14.410 0.524 0.006 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.830 1.410 2.370 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.137 0.966 2.282 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -15.180 3.562 2.691 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -13.503 3.143 2.405 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.441 4.376 0.555 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.693 4.324 0.442 1.00 0.00 H new ATOM 1078 N THR A 73 -16.595 -0.347 -0.284 1.00 0.00 N ATOM 1079 CA THR A 73 -17.864 -0.942 -0.646 1.00 0.00 C ATOM 1080 C THR A 73 -18.073 -2.208 0.179 1.00 0.00 C ATOM 1081 O THR A 73 -17.119 -2.747 0.733 1.00 0.00 O ATOM 1082 CB THR A 73 -17.870 -1.312 -2.144 1.00 0.00 C ATOM 1083 OG1 THR A 73 -16.831 -2.267 -2.397 1.00 0.00 O ATOM 1084 CG2 THR A 73 -17.660 -0.085 -3.021 1.00 0.00 C ATOM 0 H THR A 73 -15.817 -1.006 -0.284 1.00 0.00 H new ATOM 0 HA THR A 73 -18.663 -0.227 -0.451 1.00 0.00 H new ATOM 0 HB THR A 73 -18.843 -1.738 -2.389 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.521 -2.176 -3.322 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.670 -0.381 -4.070 1.00 0.00 H new ATOM 0 HG22 THR A 73 -18.460 0.633 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.700 0.373 -2.782 1.00 0.00 H new ATOM 1092 N GLU A 74 -19.306 -2.674 0.269 1.00 0.00 N ATOM 1093 CA GLU A 74 -19.608 -3.959 0.897 1.00 0.00 C ATOM 1094 C GLU A 74 -18.939 -5.140 0.139 1.00 0.00 C ATOM 1095 O GLU A 74 -19.003 -6.289 0.575 1.00 0.00 O ATOM 1096 CB GLU A 74 -21.151 -4.093 0.983 1.00 0.00 C ATOM 1097 CG GLU A 74 -21.690 -5.509 1.117 1.00 0.00 C ATOM 1098 CD GLU A 74 -21.451 -6.127 2.475 1.00 0.00 C ATOM 1099 OE1 GLU A 74 -21.552 -5.407 3.490 1.00 0.00 O ATOM 1100 OE2 GLU A 74 -21.212 -7.352 2.537 1.00 0.00 O ATOM 0 H GLU A 74 -20.125 -2.180 -0.087 1.00 0.00 H new ATOM 0 HA GLU A 74 -19.190 -3.998 1.903 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -21.500 -3.510 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -21.585 -3.643 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -22.761 -5.501 0.916 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -21.227 -6.137 0.356 1.00 0.00 H new ATOM 1107 N LYS A 75 -18.272 -4.856 -0.985 1.00 0.00 N ATOM 1108 CA LYS A 75 -17.679 -5.919 -1.798 1.00 0.00 C ATOM 1109 C LYS A 75 -16.135 -5.931 -1.824 1.00 0.00 C ATOM 1110 O LYS A 75 -15.540 -7.010 -1.812 1.00 0.00 O ATOM 1111 CB LYS A 75 -18.212 -5.844 -3.240 1.00 0.00 C ATOM 1112 CG LYS A 75 -19.739 -5.880 -3.372 1.00 0.00 C ATOM 1113 CD LYS A 75 -20.315 -7.298 -3.352 1.00 0.00 C ATOM 1114 CE LYS A 75 -20.103 -8.008 -2.022 1.00 0.00 C ATOM 1115 NZ LYS A 75 -21.105 -9.080 -1.791 1.00 0.00 N ATOM 0 H LYS A 75 -18.131 -3.913 -1.347 1.00 0.00 H new ATOM 0 HA LYS A 75 -17.980 -6.849 -1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -17.845 -4.926 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.794 -6.674 -3.809 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -20.181 -5.304 -2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -20.028 -5.391 -4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -21.383 -7.254 -3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -19.853 -7.883 -4.147 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -19.102 -8.438 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -20.158 -7.281 -1.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -20.921 -9.535 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -22.060 -8.668 -1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -21.036 -9.789 -2.549 1.00 0.00 H new ATOM 1129 N ASP A 76 -15.477 -4.771 -1.867 1.00 0.00 N ATOM 1130 CA ASP A 76 -14.060 -4.736 -2.210 1.00 0.00 C ATOM 1131 C ASP A 76 -13.144 -4.570 -0.979 1.00 0.00 C ATOM 1132 O ASP A 76 -13.300 -3.640 -0.190 1.00 0.00 O ATOM 1133 CB ASP A 76 -13.770 -3.608 -3.199 1.00 0.00 C ATOM 1134 CG ASP A 76 -14.600 -3.677 -4.468 1.00 0.00 C ATOM 1135 OD1 ASP A 76 -14.258 -4.478 -5.360 1.00 0.00 O ATOM 1136 OD2 ASP A 76 -15.568 -2.895 -4.598 1.00 0.00 O ATOM 0 H ASP A 76 -15.895 -3.861 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 76 -13.839 -5.702 -2.663 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.952 -2.652 -2.709 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -12.713 -3.634 -3.465 1.00 0.00 H new ATOM 1141 N GLU A 77 -12.150 -5.447 -0.894 1.00 0.00 N ATOM 1142 CA GLU A 77 -11.143 -5.482 0.183 1.00 0.00 C ATOM 1143 C GLU A 77 -9.904 -4.738 -0.313 1.00 0.00 C ATOM 1144 O GLU A 77 -9.611 -4.764 -1.510 1.00 0.00 O ATOM 1145 CB GLU A 77 -10.799 -6.956 0.467 1.00 0.00 C ATOM 1146 CG GLU A 77 -9.662 -7.202 1.448 1.00 0.00 C ATOM 1147 CD GLU A 77 -9.223 -8.653 1.447 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -9.702 -9.431 2.299 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -8.397 -9.024 0.585 1.00 0.00 O ATOM 0 H GLU A 77 -12.010 -6.180 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 77 -11.512 -5.014 1.096 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.693 -7.450 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.547 -7.437 -0.478 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.815 -6.566 1.190 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.980 -6.919 2.451 1.00 0.00 H new ATOM 1156 N TYR A 78 -9.183 -4.073 0.574 1.00 0.00 N ATOM 1157 CA TYR A 78 -8.005 -3.309 0.153 1.00 0.00 C ATOM 1158 C TYR A 78 -6.738 -3.879 0.779 1.00 0.00 C ATOM 1159 O TYR A 78 -6.683 -4.111 1.986 1.00 0.00 O ATOM 1160 CB TYR A 78 -8.160 -1.821 0.503 1.00 0.00 C ATOM 1161 CG TYR A 78 -9.184 -1.100 -0.345 1.00 0.00 C ATOM 1162 CD1 TYR A 78 -10.544 -1.284 -0.130 1.00 0.00 C ATOM 1163 CD2 TYR A 78 -8.791 -0.245 -1.368 1.00 0.00 C ATOM 1164 CE1 TYR A 78 -11.483 -0.636 -0.916 1.00 0.00 C ATOM 1165 CE2 TYR A 78 -9.723 0.410 -2.149 1.00 0.00 C ATOM 1166 CZ TYR A 78 -11.065 0.208 -1.922 1.00 0.00 C ATOM 1167 OH TYR A 78 -11.989 0.845 -2.716 1.00 0.00 O ATOM 0 H TYR A 78 -9.382 -4.042 1.574 1.00 0.00 H new ATOM 0 HA TYR A 78 -7.920 -3.395 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -8.442 -1.731 1.552 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -7.195 -1.328 0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -10.874 -1.941 0.661 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -7.739 -0.090 -1.555 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -12.537 -0.792 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -9.400 1.078 -2.934 1.00 0.00 H new ATOM 0 HH TYR A 78 -12.879 0.760 -2.315 1.00 0.00 H new ATOM 1177 N ALA A 79 -5.727 -4.110 -0.056 1.00 0.00 N ATOM 1178 CA ALA A 79 -4.488 -4.741 0.377 1.00 0.00 C ATOM 1179 C ALA A 79 -3.268 -4.016 -0.197 1.00 0.00 C ATOM 1180 O ALA A 79 -3.390 -3.274 -1.164 1.00 0.00 O ATOM 1181 CB ALA A 79 -4.485 -6.192 -0.074 1.00 0.00 C ATOM 0 H ALA A 79 -5.746 -3.866 -1.046 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.430 -4.687 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.560 -6.671 0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.335 -6.712 0.368 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.558 -6.235 -1.161 1.00 0.00 H new ATOM 1187 N CYS A 80 -2.099 -4.215 0.407 1.00 0.00 N ATOM 1188 CA CYS A 80 -0.858 -3.681 -0.149 1.00 0.00 C ATOM 1189 C CYS A 80 0.165 -4.804 -0.345 1.00 0.00 C ATOM 1190 O CYS A 80 0.419 -5.588 0.570 1.00 0.00 O ATOM 1191 CB CYS A 80 -0.296 -2.574 0.743 1.00 0.00 C ATOM 1192 SG CYS A 80 1.383 -2.029 0.298 1.00 0.00 S ATOM 0 H CYS A 80 -1.985 -4.738 1.275 1.00 0.00 H new ATOM 0 HA CYS A 80 -1.075 -3.244 -1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -0.966 -1.715 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -0.290 -2.924 1.775 1.00 0.00 H new ATOM 1197 N ARG A 81 0.713 -4.895 -1.555 1.00 0.00 N ATOM 1198 CA ARG A 81 1.629 -5.975 -1.941 1.00 0.00 C ATOM 1199 C ARG A 81 3.068 -5.463 -1.991 1.00 0.00 C ATOM 1200 O ARG A 81 3.337 -4.479 -2.670 1.00 0.00 O ATOM 1201 CB ARG A 81 1.221 -6.470 -3.334 1.00 0.00 C ATOM 1202 CG ARG A 81 1.736 -7.852 -3.736 1.00 0.00 C ATOM 1203 CD ARG A 81 0.909 -8.409 -4.907 1.00 0.00 C ATOM 1204 NE ARG A 81 0.974 -7.519 -6.071 1.00 0.00 N ATOM 1205 CZ ARG A 81 0.598 -7.859 -7.305 1.00 0.00 C ATOM 1206 NH1 ARG A 81 0.118 -9.074 -7.544 1.00 0.00 N ATOM 1207 NH2 ARG A 81 0.715 -6.985 -8.299 1.00 0.00 N ATOM 0 H ARG A 81 0.536 -4.221 -2.300 1.00 0.00 H new ATOM 0 HA ARG A 81 1.573 -6.782 -1.210 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.132 -6.481 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.570 -5.746 -4.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.786 -7.788 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.678 -8.531 -2.885 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.279 -9.397 -5.180 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.129 -8.532 -4.597 1.00 0.00 H new ATOM 0 HE ARG A 81 1.331 -6.575 -5.927 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.036 -9.749 -6.783 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.169 -9.332 -8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.092 -6.055 -8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.428 -7.244 -9.243 1.00 0.00 H new ATOM 1221 N VAL A 82 3.989 -6.111 -1.281 1.00 0.00 N ATOM 1222 CA VAL A 82 5.390 -5.693 -1.342 1.00 0.00 C ATOM 1223 C VAL A 82 6.317 -6.869 -1.628 1.00 0.00 C ATOM 1224 O VAL A 82 6.139 -7.972 -1.107 1.00 0.00 O ATOM 1225 CB VAL A 82 5.850 -4.940 -0.058 1.00 0.00 C ATOM 1226 CG1 VAL A 82 6.243 -5.900 1.059 1.00 0.00 C ATOM 1227 CG2 VAL A 82 6.997 -3.990 -0.369 1.00 0.00 C ATOM 0 H VAL A 82 3.800 -6.907 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 82 5.456 -4.990 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 82 4.998 -4.359 0.294 1.00 0.00 H new ATOM 0 HG11 VAL A 82 6.557 -5.331 1.934 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.388 -6.525 1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.065 -6.532 0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.301 -3.476 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.841 -4.555 -0.765 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.672 -3.257 -1.108 1.00 0.00 H new ATOM 1237 N ASN A 83 7.285 -6.615 -2.496 1.00 0.00 N ATOM 1238 CA ASN A 83 8.271 -7.617 -2.881 1.00 0.00 C ATOM 1239 C ASN A 83 9.669 -7.041 -2.841 1.00 0.00 C ATOM 1240 O ASN A 83 9.896 -5.890 -3.219 1.00 0.00 O ATOM 1241 CB ASN A 83 7.986 -8.145 -4.293 1.00 0.00 C ATOM 1242 CG ASN A 83 8.875 -9.321 -4.671 1.00 0.00 C ATOM 1243 OD1 ASN A 83 9.242 -10.135 -3.824 1.00 0.00 O ATOM 1244 ND2 ASN A 83 9.238 -9.411 -5.946 1.00 0.00 N ATOM 0 H ASN A 83 7.410 -5.712 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 83 8.201 -8.438 -2.167 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.941 -8.449 -4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.130 -7.340 -5.013 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.841 -10.174 -6.252 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.913 -8.717 -6.619 1.00 0.00 H new ATOM 1251 N HIS A 84 10.590 -7.854 -2.368 1.00 0.00 N ATOM 1252 CA HIS A 84 12.000 -7.541 -2.411 1.00 0.00 C ATOM 1253 C HIS A 84 12.725 -8.770 -2.937 1.00 0.00 C ATOM 1254 O HIS A 84 12.167 -9.871 -2.872 1.00 0.00 O ATOM 1255 CB HIS A 84 12.528 -7.164 -1.016 1.00 0.00 C ATOM 1256 CG HIS A 84 13.912 -6.584 -1.016 1.00 0.00 C ATOM 1257 ND1 HIS A 84 15.025 -7.385 -1.062 1.00 0.00 N ATOM 1258 CD2 HIS A 84 14.304 -5.288 -0.969 1.00 0.00 C ATOM 1259 CE1 HIS A 84 16.065 -6.568 -1.045 1.00 0.00 C ATOM 1260 NE2 HIS A 84 15.676 -5.286 -0.991 1.00 0.00 N ATOM 0 H HIS A 84 10.379 -8.756 -1.941 1.00 0.00 H new ATOM 0 HA HIS A 84 12.172 -6.683 -3.061 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.845 -6.445 -0.564 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.519 -8.052 -0.385 1.00 0.00 H new ATOM 0 HD2 HIS A 84 13.660 -4.422 -0.923 1.00 0.00 H new ATOM 0 HE1 HIS A 84 17.095 -6.892 -1.071 1.00 0.00 H new ATOM 0 HE2 HIS A 84 16.283 -4.467 -0.970 1.00 0.00 H new ATOM 1268 N VAL A 85 13.932 -8.595 -3.461 1.00 0.00 N ATOM 1269 CA VAL A 85 14.708 -9.719 -3.999 1.00 0.00 C ATOM 1270 C VAL A 85 14.730 -10.902 -3.020 1.00 0.00 C ATOM 1271 O VAL A 85 14.617 -12.062 -3.432 1.00 0.00 O ATOM 1272 CB VAL A 85 16.162 -9.303 -4.336 1.00 0.00 C ATOM 1273 CG1 VAL A 85 16.947 -10.474 -4.927 1.00 0.00 C ATOM 1274 CG2 VAL A 85 16.169 -8.114 -5.291 1.00 0.00 C ATOM 0 H VAL A 85 14.399 -7.690 -3.527 1.00 0.00 H new ATOM 0 HA VAL A 85 14.212 -10.028 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 85 16.652 -9.006 -3.409 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.964 -10.153 -5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 85 16.977 -11.292 -4.207 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.461 -10.813 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.198 -7.835 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 85 15.656 -8.385 -6.213 1.00 0.00 H new ATOM 0 HG23 VAL A 85 15.658 -7.271 -4.826 1.00 0.00 H new ATOM 1284 N THR A 86 14.808 -10.598 -1.725 1.00 0.00 N ATOM 1285 CA THR A 86 14.924 -11.643 -0.699 1.00 0.00 C ATOM 1286 C THR A 86 13.672 -12.529 -0.651 1.00 0.00 C ATOM 1287 O THR A 86 13.775 -13.751 -0.786 1.00 0.00 O ATOM 1288 CB THR A 86 15.219 -11.060 0.712 1.00 0.00 C ATOM 1289 OG1 THR A 86 15.080 -12.077 1.710 1.00 0.00 O ATOM 1290 CG2 THR A 86 14.302 -9.888 1.041 1.00 0.00 C ATOM 0 H THR A 86 14.793 -9.646 -1.360 1.00 0.00 H new ATOM 0 HA THR A 86 15.776 -12.258 -0.989 1.00 0.00 H new ATOM 0 HB THR A 86 16.246 -10.694 0.706 1.00 0.00 H new ATOM 0 HG1 THR A 86 15.270 -11.697 2.593 1.00 0.00 H new ATOM 0 HG21 THR A 86 14.539 -9.508 2.035 1.00 0.00 H new ATOM 0 HG22 THR A 86 14.446 -9.096 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 86 13.264 -10.220 1.018 1.00 0.00 H new ATOM 1298 N LEU A 87 12.497 -11.921 -0.459 1.00 0.00 N ATOM 1299 CA LEU A 87 11.245 -12.679 -0.404 1.00 0.00 C ATOM 1300 C LEU A 87 11.061 -13.529 -1.648 1.00 0.00 C ATOM 1301 O LEU A 87 10.794 -14.724 -1.552 1.00 0.00 O ATOM 1302 CB LEU A 87 10.033 -11.756 -0.271 1.00 0.00 C ATOM 1303 CG LEU A 87 10.064 -10.797 0.916 1.00 0.00 C ATOM 1304 CD1 LEU A 87 8.942 -9.789 0.794 1.00 0.00 C ATOM 1305 CD2 LEU A 87 9.965 -11.557 2.232 1.00 0.00 C ATOM 0 H LEU A 87 12.388 -10.914 -0.340 1.00 0.00 H new ATOM 0 HA LEU A 87 11.312 -13.320 0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.942 -11.171 -1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.136 -12.371 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 87 11.016 -10.266 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.971 -9.108 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.061 -9.222 -0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.985 -10.310 0.778 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.989 -10.851 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.030 -12.117 2.259 1.00 0.00 H new ATOM 0 HD23 LEU A 87 10.804 -12.247 2.318 1.00 0.00 H new ATOM 1317 N SER A 88 11.196 -12.885 -2.812 1.00 0.00 N ATOM 1318 CA SER A 88 11.009 -13.530 -4.115 1.00 0.00 C ATOM 1319 C SER A 88 9.521 -13.779 -4.406 1.00 0.00 C ATOM 1320 O SER A 88 9.117 -13.907 -5.565 1.00 0.00 O ATOM 1321 CB SER A 88 11.817 -14.829 -4.206 1.00 0.00 C ATOM 1322 OG SER A 88 13.180 -14.595 -3.883 1.00 0.00 O ATOM 0 H SER A 88 11.439 -11.897 -2.877 1.00 0.00 H new ATOM 0 HA SER A 88 11.384 -12.849 -4.880 1.00 0.00 H new ATOM 0 HB2 SER A 88 11.399 -15.572 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 88 11.742 -15.240 -5.213 1.00 0.00 H new ATOM 0 HG SER A 88 13.351 -13.630 -3.865 1.00 0.00 H new ATOM 1328 N GLN A 89 8.711 -13.844 -3.355 1.00 0.00 N ATOM 1329 CA GLN A 89 7.264 -13.879 -3.506 1.00 0.00 C ATOM 1330 C GLN A 89 6.638 -12.804 -2.607 1.00 0.00 C ATOM 1331 O GLN A 89 6.744 -12.884 -1.381 1.00 0.00 O ATOM 1332 CB GLN A 89 6.665 -15.269 -3.197 1.00 0.00 C ATOM 1333 CG GLN A 89 6.978 -15.838 -1.820 1.00 0.00 C ATOM 1334 CD GLN A 89 8.302 -16.573 -1.765 1.00 0.00 C ATOM 1335 OE1 GLN A 89 8.946 -16.630 -0.720 1.00 0.00 O ATOM 1336 NE2 GLN A 89 8.714 -17.147 -2.887 1.00 0.00 N ATOM 0 H GLN A 89 9.034 -13.873 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 89 7.031 -13.673 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 89 5.582 -15.209 -3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 89 7.022 -15.972 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 89 6.990 -15.026 -1.093 1.00 0.00 H new ATOM 0 HG3 GLN A 89 6.179 -16.519 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 89 8.149 -17.076 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 89 9.596 -17.660 -2.904 1.00 0.00 H new ATOM 1345 N PRO A 90 6.022 -11.756 -3.194 1.00 0.00 N ATOM 1346 CA PRO A 90 5.462 -10.640 -2.415 1.00 0.00 C ATOM 1347 C PRO A 90 4.302 -11.040 -1.520 1.00 0.00 C ATOM 1348 O PRO A 90 3.592 -12.013 -1.781 1.00 0.00 O ATOM 1349 CB PRO A 90 4.971 -9.644 -3.457 1.00 0.00 C ATOM 1350 CG PRO A 90 4.827 -10.430 -4.723 1.00 0.00 C ATOM 1351 CD PRO A 90 5.842 -11.560 -4.649 1.00 0.00 C ATOM 0 HA PRO A 90 6.223 -10.244 -1.742 1.00 0.00 H new ATOM 0 HB2 PRO A 90 4.021 -9.201 -3.160 1.00 0.00 H new ATOM 0 HB3 PRO A 90 5.679 -8.825 -3.582 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.815 -10.823 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 90 5.011 -9.800 -5.593 1.00 0.00 H new ATOM 0 HD2 PRO A 90 5.475 -12.464 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 90 6.779 -11.293 -5.139 1.00 0.00 H new ATOM 1359 N LYS A 91 4.107 -10.257 -0.473 1.00 0.00 N ATOM 1360 CA LYS A 91 3.065 -10.524 0.503 1.00 0.00 C ATOM 1361 C LYS A 91 1.938 -9.503 0.369 1.00 0.00 C ATOM 1362 O LYS A 91 2.150 -8.397 -0.130 1.00 0.00 O ATOM 1363 CB LYS A 91 3.633 -10.474 1.929 1.00 0.00 C ATOM 1364 CG LYS A 91 4.923 -11.269 2.135 1.00 0.00 C ATOM 1365 CD LYS A 91 4.828 -12.687 1.590 1.00 0.00 C ATOM 1366 CE LYS A 91 5.262 -13.718 2.625 1.00 0.00 C ATOM 1367 NZ LYS A 91 5.236 -15.096 2.069 1.00 0.00 N ATOM 0 H LYS A 91 4.662 -9.424 -0.276 1.00 0.00 H new ATOM 0 HA LYS A 91 2.671 -11.522 0.313 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.818 -9.433 2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.877 -10.850 2.619 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.748 -10.750 1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 91 5.156 -11.307 3.199 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.803 -12.890 1.281 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.453 -12.778 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.268 -13.484 2.972 1.00 0.00 H new ATOM 0 HE3 LYS A 91 4.604 -13.663 3.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.537 -15.771 2.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.270 -15.328 1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 5.883 -15.155 1.257 1.00 0.00 H new ATOM 1381 N ILE A 92 0.749 -9.891 0.806 1.00 0.00 N ATOM 1382 CA ILE A 92 -0.394 -8.987 0.824 1.00 0.00 C ATOM 1383 C ILE A 92 -0.806 -8.654 2.255 1.00 0.00 C ATOM 1384 O ILE A 92 -0.921 -9.536 3.108 1.00 0.00 O ATOM 1385 CB ILE A 92 -1.616 -9.537 0.021 1.00 0.00 C ATOM 1386 CG1 ILE A 92 -1.671 -8.910 -1.377 1.00 0.00 C ATOM 1387 CG2 ILE A 92 -2.930 -9.290 0.745 1.00 0.00 C ATOM 1388 CD1 ILE A 92 -1.407 -7.429 -1.374 1.00 0.00 C ATOM 0 H ILE A 92 0.549 -10.829 1.154 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.069 -8.074 0.326 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.478 -10.614 -0.070 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.939 -9.402 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.652 -9.097 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.753 -9.688 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -2.909 -9.786 1.716 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.071 -8.219 0.888 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.461 -7.048 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.154 -6.927 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.414 -7.237 -0.967 1.00 0.00 H new ATOM 1400 N VAL A 93 -1.006 -7.369 2.507 1.00 0.00 N ATOM 1401 CA VAL A 93 -1.543 -6.898 3.773 1.00 0.00 C ATOM 1402 C VAL A 93 -2.912 -6.285 3.530 1.00 0.00 C ATOM 1403 O VAL A 93 -3.046 -5.374 2.723 1.00 0.00 O ATOM 1404 CB VAL A 93 -0.623 -5.848 4.436 1.00 0.00 C ATOM 1405 CG1 VAL A 93 -0.355 -4.674 3.515 1.00 0.00 C ATOM 1406 CG2 VAL A 93 -1.214 -5.359 5.749 1.00 0.00 C ATOM 0 H VAL A 93 -0.801 -6.625 1.840 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.615 -7.750 4.449 1.00 0.00 H new ATOM 0 HB VAL A 93 0.329 -6.339 4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.295 -3.958 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.130 -5.028 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.297 -4.190 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.548 -4.621 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -2.187 -4.904 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.332 -6.201 6.431 1.00 0.00 H new ATOM 1416 N LYS A 94 -3.928 -6.780 4.201 1.00 0.00 N ATOM 1417 CA LYS A 94 -5.270 -6.304 3.947 1.00 0.00 C ATOM 1418 C LYS A 94 -5.768 -5.473 5.118 1.00 0.00 C ATOM 1419 O LYS A 94 -5.431 -5.741 6.272 1.00 0.00 O ATOM 1420 CB LYS A 94 -6.195 -7.476 3.676 1.00 0.00 C ATOM 1421 CG LYS A 94 -5.647 -8.426 2.642 1.00 0.00 C ATOM 1422 CD LYS A 94 -6.283 -9.793 2.774 1.00 0.00 C ATOM 1423 CE LYS A 94 -5.889 -10.503 4.065 1.00 0.00 C ATOM 1424 NZ LYS A 94 -6.578 -11.812 4.193 1.00 0.00 N ATOM 0 H LYS A 94 -3.854 -7.502 4.917 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.259 -5.666 3.064 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.368 -8.018 4.605 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.162 -7.100 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.832 -8.029 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -4.566 -8.511 2.756 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.367 -9.690 2.737 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.992 -10.408 1.922 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.810 -10.654 4.084 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.138 -9.874 4.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.290 -12.271 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.607 -11.663 4.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -6.320 -12.420 3.390 1.00 0.00 H new ATOM 1438 N TRP A 95 -6.562 -4.466 4.806 1.00 0.00 N ATOM 1439 CA TRP A 95 -7.010 -3.500 5.802 1.00 0.00 C ATOM 1440 C TRP A 95 -8.219 -4.024 6.581 1.00 0.00 C ATOM 1441 O TRP A 95 -9.186 -4.527 5.999 1.00 0.00 O ATOM 1442 CB TRP A 95 -7.315 -2.150 5.116 1.00 0.00 C ATOM 1443 CG TRP A 95 -7.786 -1.044 6.029 1.00 0.00 C ATOM 1444 CD1 TRP A 95 -7.233 -0.645 7.221 1.00 0.00 C ATOM 1445 CD2 TRP A 95 -8.896 -0.161 5.794 1.00 0.00 C ATOM 1446 NE1 TRP A 95 -7.945 0.397 7.748 1.00 0.00 N ATOM 1447 CE2 TRP A 95 -8.971 0.716 6.899 1.00 0.00 C ATOM 1448 CE3 TRP A 95 -9.844 -0.028 4.761 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 -9.946 1.698 7.010 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 -10.808 0.956 4.867 1.00 0.00 C ATOM 1451 CH2 TRP A 95 -10.860 1.805 5.984 1.00 0.00 C ATOM 0 H TRP A 95 -6.914 -4.292 3.865 1.00 0.00 H new ATOM 0 HA TRP A 95 -6.212 -3.346 6.528 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -6.415 -1.813 4.602 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -8.075 -2.315 4.353 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -6.361 -1.090 7.677 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -7.744 0.863 8.633 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -9.818 -0.683 3.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -9.987 2.353 7.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -11.534 1.074 4.077 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -11.632 2.558 6.040 1.00 0.00 H new ATOM 1462 N ASP A 96 -8.135 -3.908 7.905 1.00 0.00 N ATOM 1463 CA ASP A 96 -9.172 -4.385 8.813 1.00 0.00 C ATOM 1464 C ASP A 96 -10.461 -3.573 8.659 1.00 0.00 C ATOM 1465 O ASP A 96 -10.612 -2.505 9.249 1.00 0.00 O ATOM 1466 CB ASP A 96 -8.664 -4.333 10.274 1.00 0.00 C ATOM 1467 CG ASP A 96 -8.229 -2.944 10.726 1.00 0.00 C ATOM 1468 OD1 ASP A 96 -8.926 -2.341 11.572 1.00 0.00 O ATOM 1469 OD2 ASP A 96 -7.183 -2.455 10.250 1.00 0.00 O ATOM 0 H ASP A 96 -7.341 -3.478 8.379 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.401 -5.419 8.557 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.453 -4.689 10.936 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.824 -5.019 10.381 1.00 0.00 H new ATOM 1474 N ARG A 97 -11.388 -4.090 7.852 1.00 0.00 N ATOM 1475 CA ARG A 97 -12.703 -3.471 7.686 1.00 0.00 C ATOM 1476 C ARG A 97 -13.535 -4.286 6.699 1.00 0.00 C ATOM 1477 O ARG A 97 -14.750 -4.128 6.611 1.00 0.00 O ATOM 1478 CB ARG A 97 -12.552 -2.002 7.213 1.00 0.00 C ATOM 1479 CG ARG A 97 -12.500 -1.818 5.689 1.00 0.00 C ATOM 1480 CD ARG A 97 -13.884 -1.741 5.051 1.00 0.00 C ATOM 1481 NE ARG A 97 -13.814 -1.781 3.598 1.00 0.00 N ATOM 1482 CZ ARG A 97 -14.850 -2.097 2.826 1.00 0.00 C ATOM 1483 NH1 ARG A 97 -16.047 -2.298 3.356 1.00 0.00 N ATOM 1484 NH2 ARG A 97 -14.697 -2.218 1.523 1.00 0.00 N ATOM 0 H ARG A 97 -11.252 -4.938 7.302 1.00 0.00 H new ATOM 0 HA ARG A 97 -13.220 -3.460 8.646 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -13.386 -1.421 7.607 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -11.642 -1.587 7.646 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -11.948 -0.907 5.457 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -11.948 -2.647 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -14.495 -2.570 5.408 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -14.378 -0.822 5.366 1.00 0.00 H new ATOM 0 HE ARG A 97 -12.926 -1.555 3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -16.180 -2.211 4.364 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -16.836 -2.540 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -13.780 -2.069 1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.495 -2.461 0.936 1.00 0.00 H new ATOM 1498 N ASP A 98 -12.873 -5.188 5.989 1.00 0.00 N ATOM 1499 CA ASP A 98 -13.505 -5.925 4.897 1.00 0.00 C ATOM 1500 C ASP A 98 -12.811 -7.270 4.668 1.00 0.00 C ATOM 1501 O ASP A 98 -13.285 -8.099 3.895 1.00 0.00 O ATOM 1502 CB ASP A 98 -13.463 -5.100 3.613 1.00 0.00 C ATOM 1503 CG ASP A 98 -14.330 -5.687 2.515 1.00 0.00 C ATOM 1504 OD1 ASP A 98 -13.808 -6.446 1.679 1.00 0.00 O ATOM 1505 OD2 ASP A 98 -15.543 -5.392 2.497 1.00 0.00 O ATOM 0 H ASP A 98 -11.895 -5.430 6.148 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.542 -6.114 5.173 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.793 -4.084 3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.433 -5.033 3.262 1.00 0.00 H new ATOM 1510 N MET A 99 -11.698 -7.502 5.366 1.00 0.00 N ATOM 1511 CA MET A 99 -10.960 -8.753 5.203 1.00 0.00 C ATOM 1512 C MET A 99 -11.767 -9.918 5.760 1.00 0.00 C ATOM 1513 CB MET A 99 -9.559 -8.706 5.851 1.00 0.00 C ATOM 1514 CG MET A 99 -9.476 -7.989 7.209 1.00 0.00 C ATOM 1515 SD MET A 99 -10.689 -8.565 8.410 1.00 0.00 S ATOM 1516 CE MET A 99 -10.182 -7.655 9.867 1.00 0.00 C ATOM 0 H MET A 99 -11.294 -6.851 6.039 1.00 0.00 H new ATOM 0 HA MET A 99 -10.808 -8.898 4.133 1.00 0.00 H new ATOM 0 HB2 MET A 99 -9.203 -9.728 5.978 1.00 0.00 H new ATOM 0 HB3 MET A 99 -8.875 -8.215 5.159 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.476 -8.126 7.621 1.00 0.00 H new ATOM 0 HG3 MET A 99 -9.612 -6.919 7.053 1.00 0.00 H new ATOM 0 HE1 MET A 99 -10.359 -8.262 10.755 1.00 0.00 H new ATOM 0 HE2 MET A 99 -9.121 -7.417 9.796 1.00 0.00 H new ATOM 0 HE3 MET A 99 -10.757 -6.732 9.938 1.00 0.00 H new TER 1525 MET A 99