USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 803 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 41 LYS NZ :NH3+ 171:sc= 1.66 (180deg=1.18) USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.422 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.685 X(o=-0.67,f=-0.83) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 137:sc= 0.0196 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.863 K(o=-0.86,f=-2.9) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0425) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -86:sc= 0.653 USER MOD Single : A 13 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.57) USER MOD Single : A 17 ASN : amide:sc= 0.867 K(o=0.87,f=-1.3) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= 0.462 (180deg=0.181) USER MOD Single : A 20 SER OG : rot 42:sc= 0.00519 USER MOD Single : A 21 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.1!) USER MOD Single : A 24 ASN : amide:sc= -0.252 X(o=-0.25,f=-0.59) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.09 K(o=-1.1,f=-3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0.00576 USER MOD Single : A 42 ASN : amide:sc= -0.8 X(o=-0.8,f=-0.35) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 1.26 (180deg=1.19) USER MOD Single : A 51 HIS : no HD1:sc= 0.216 K(o=0.22,f=-3!) USER MOD Single : A 52 SER OG : rot 180:sc= 0.874 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0.195 USER MOD Single : A 58 LYS NZ :NH3+ -136:sc=-0.00453 (180deg=-0.658) USER MOD Single : A 61 SER OG : rot 130:sc= 0.532 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 30:sc= -0.69 USER MOD Single : A 67 TYR OH : rot 149:sc= 1.08 USER MOD Single : A 68 THR OG1 : rot 82:sc= 0.636 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot -71:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.836 K(o=0.84,f=-0.16) USER MOD Single : A 84 HIS : no HD1:sc= 0.231 K(o=0.23,f=-8.3!) USER MOD Single : A 86 THR OG1 : rot 120:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0.737 K(o=0.74,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 1.16 (180deg=1.16) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -4.436 -25.040 -5.434 1.00 0.00 N ATOM 2 CA MET A 0 -3.831 -23.722 -5.172 1.00 0.00 C ATOM 3 C MET A 0 -4.399 -23.109 -3.892 1.00 0.00 C ATOM 4 O MET A 0 -5.602 -23.210 -3.654 1.00 0.00 O ATOM 5 CB MET A 0 -4.039 -22.789 -6.373 1.00 0.00 C ATOM 6 CG MET A 0 -3.400 -21.412 -6.153 1.00 0.00 C ATOM 7 SD MET A 0 -3.460 -20.323 -7.596 1.00 0.00 S ATOM 8 CE MET A 0 -2.547 -18.908 -6.931 1.00 0.00 C ATOM 0 H1 MET A 0 -4.666 -25.121 -6.445 1.00 0.00 H new ATOM 0 H2 MET A 0 -3.764 -25.789 -5.171 1.00 0.00 H new ATOM 0 H3 MET A 0 -5.305 -25.141 -4.872 1.00 0.00 H new ATOM 0 HA MET A 0 -2.759 -23.856 -5.028 1.00 0.00 H new ATOM 0 HB2 MET A 0 -3.613 -23.247 -7.265 1.00 0.00 H new ATOM 0 HB3 MET A 0 -5.107 -22.667 -6.556 1.00 0.00 H new ATOM 0 HG2 MET A 0 -3.903 -20.920 -5.320 1.00 0.00 H new ATOM 0 HG3 MET A 0 -2.359 -21.550 -5.860 1.00 0.00 H new ATOM 0 HE1 MET A 0 -2.482 -18.128 -7.689 1.00 0.00 H new ATOM 0 HE2 MET A 0 -3.065 -18.520 -6.054 1.00 0.00 H new ATOM 0 HE3 MET A 0 -1.543 -19.223 -6.648 1.00 0.00 H new ATOM 20 N ILE A 1 -3.537 -22.469 -3.091 1.00 0.00 N ATOM 21 CA ILE A 1 -3.922 -21.718 -1.904 1.00 0.00 C ATOM 22 C ILE A 1 -3.905 -20.230 -2.257 1.00 0.00 C ATOM 23 O ILE A 1 -2.854 -19.679 -2.585 1.00 0.00 O ATOM 24 CB ILE A 1 -2.975 -22.034 -0.732 1.00 0.00 C ATOM 25 CG1 ILE A 1 -2.905 -23.536 -0.393 1.00 0.00 C ATOM 26 CG2 ILE A 1 -3.355 -21.219 0.513 1.00 0.00 C ATOM 27 CD1 ILE A 1 -4.239 -24.160 0.033 1.00 0.00 C ATOM 0 H ILE A 1 -2.531 -22.463 -3.260 1.00 0.00 H new ATOM 0 HA ILE A 1 -4.924 -22.002 -1.584 1.00 0.00 H new ATOM 0 HB ILE A 1 -1.977 -21.743 -1.061 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -2.530 -24.074 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -2.180 -23.680 0.408 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -2.672 -21.459 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -3.289 -20.155 0.286 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -4.375 -21.463 0.811 1.00 0.00 H new ATOM 0 HD11 ILE A 1 -4.093 -25.218 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 1 -4.610 -23.653 0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 1 -4.965 -24.053 -0.773 1.00 0.00 H new ATOM 39 N GLN A 2 -5.075 -19.587 -2.184 1.00 0.00 N ATOM 40 CA GLN A 2 -5.262 -18.172 -2.466 1.00 0.00 C ATOM 41 C GLN A 2 -4.927 -17.388 -1.197 1.00 0.00 C ATOM 42 O GLN A 2 -5.821 -16.898 -0.508 1.00 0.00 O ATOM 43 CB GLN A 2 -6.707 -17.918 -2.930 1.00 0.00 C ATOM 44 CG GLN A 2 -7.058 -18.649 -4.238 1.00 0.00 C ATOM 45 CD GLN A 2 -7.223 -20.160 -4.071 1.00 0.00 C ATOM 46 OE1 GLN A 2 -7.672 -20.634 -3.029 1.00 0.00 O ATOM 47 NE2 GLN A 2 -6.831 -20.927 -5.089 1.00 0.00 N ATOM 0 H GLN A 2 -5.940 -20.057 -1.918 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.604 -17.844 -3.270 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.395 -18.236 -2.147 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.855 -16.847 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.982 -18.233 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.276 -18.457 -4.973 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.463 -20.498 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -6.899 -21.942 -5.018 1.00 0.00 H new ATOM 56 N ARG A 3 -3.633 -17.305 -0.866 1.00 0.00 N ATOM 57 CA ARG A 3 -3.175 -16.752 0.399 1.00 0.00 C ATOM 58 C ARG A 3 -3.346 -15.227 0.384 1.00 0.00 C ATOM 59 O ARG A 3 -2.775 -14.539 -0.463 1.00 0.00 O ATOM 60 CB ARG A 3 -1.746 -17.227 0.663 1.00 0.00 C ATOM 61 CG ARG A 3 -1.301 -17.008 2.113 1.00 0.00 C ATOM 62 CD ARG A 3 0.132 -17.524 2.281 1.00 0.00 C ATOM 63 NE ARG A 3 0.660 -17.286 3.630 1.00 0.00 N ATOM 64 CZ ARG A 3 0.761 -18.194 4.616 1.00 0.00 C ATOM 65 NH1 ARG A 3 0.238 -19.422 4.490 1.00 0.00 N ATOM 66 NH2 ARG A 3 1.395 -17.864 5.748 1.00 0.00 N ATOM 0 H ARG A 3 -2.878 -17.622 -1.474 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.776 -17.110 1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.671 -18.287 0.422 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -1.064 -16.699 -0.004 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -1.351 -15.949 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -1.971 -17.531 2.795 1.00 0.00 H new ATOM 0 HD2 ARG A 3 0.157 -18.593 2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 3 0.778 -17.038 1.550 1.00 0.00 H new ATOM 0 HE ARG A 3 0.981 -16.341 3.839 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -0.249 -19.684 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.327 -20.095 5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.795 -16.932 5.855 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.478 -18.545 6.503 1.00 0.00 H new ATOM 80 N THR A 4 -4.194 -14.724 1.290 1.00 0.00 N ATOM 81 CA THR A 4 -4.779 -13.388 1.248 1.00 0.00 C ATOM 82 C THR A 4 -3.775 -12.325 1.720 1.00 0.00 C ATOM 83 O THR A 4 -3.073 -12.560 2.705 1.00 0.00 O ATOM 84 CB THR A 4 -6.028 -13.394 2.149 1.00 0.00 C ATOM 85 OG1 THR A 4 -6.808 -14.538 1.866 1.00 0.00 O ATOM 86 CG2 THR A 4 -6.908 -12.154 1.968 1.00 0.00 C ATOM 0 H THR A 4 -4.500 -15.261 2.101 1.00 0.00 H new ATOM 0 HA THR A 4 -5.050 -13.135 0.223 1.00 0.00 H new ATOM 0 HB THR A 4 -5.669 -13.399 3.178 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.602 -14.543 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.771 -12.220 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.332 -11.261 2.210 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.248 -12.097 0.934 1.00 0.00 H new ATOM 94 N PRO A 5 -3.708 -11.150 1.067 1.00 0.00 N ATOM 95 CA PRO A 5 -2.838 -10.058 1.477 1.00 0.00 C ATOM 96 C PRO A 5 -3.335 -9.402 2.766 1.00 0.00 C ATOM 97 O PRO A 5 -4.473 -8.943 2.840 1.00 0.00 O ATOM 98 CB PRO A 5 -2.829 -9.076 0.303 1.00 0.00 C ATOM 99 CG PRO A 5 -4.186 -9.297 -0.357 1.00 0.00 C ATOM 100 CD PRO A 5 -4.425 -10.793 -0.150 1.00 0.00 C ATOM 0 HA PRO A 5 -1.831 -10.409 1.703 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -2.710 -8.047 0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.010 -9.281 -0.386 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.965 -8.695 0.110 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -4.169 -9.033 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -5.489 -11.008 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.060 -11.368 -1.001 1.00 0.00 H new ATOM 108 N LYS A 6 -2.456 -9.352 3.773 1.00 0.00 N ATOM 109 CA LYS A 6 -2.673 -8.671 5.037 1.00 0.00 C ATOM 110 C LYS A 6 -2.066 -7.273 4.931 1.00 0.00 C ATOM 111 O LYS A 6 -0.847 -7.139 4.827 1.00 0.00 O ATOM 112 CB LYS A 6 -2.068 -9.484 6.176 1.00 0.00 C ATOM 113 CG LYS A 6 -2.913 -10.735 6.433 1.00 0.00 C ATOM 114 CD LYS A 6 -2.220 -11.654 7.445 1.00 0.00 C ATOM 115 CE LYS A 6 -3.070 -12.889 7.768 1.00 0.00 C ATOM 116 NZ LYS A 6 -3.253 -13.763 6.595 1.00 0.00 N ATOM 0 H LYS A 6 -1.543 -9.804 3.720 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.737 -8.573 5.254 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.046 -9.770 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.017 -8.877 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.895 -10.447 6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.074 -11.271 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.256 -11.970 7.048 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -2.021 -11.100 8.362 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.595 -13.455 8.570 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.045 -12.570 8.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -3.746 -14.632 6.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.818 -13.267 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.324 -14.008 6.196 1.00 0.00 H new ATOM 130 N ILE A 7 -2.930 -6.251 4.908 1.00 0.00 N ATOM 131 CA ILE A 7 -2.551 -4.856 4.743 1.00 0.00 C ATOM 132 C ILE A 7 -2.328 -4.203 6.109 1.00 0.00 C ATOM 133 O ILE A 7 -3.149 -4.366 7.010 1.00 0.00 O ATOM 134 CB ILE A 7 -3.591 -4.087 3.900 1.00 0.00 C ATOM 135 CG1 ILE A 7 -4.928 -3.719 4.580 1.00 0.00 C ATOM 136 CG2 ILE A 7 -3.837 -4.772 2.550 1.00 0.00 C ATOM 137 CD1 ILE A 7 -5.818 -4.893 5.002 1.00 0.00 C ATOM 0 H ILE A 7 -3.937 -6.382 5.007 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.610 -4.815 4.194 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.109 -3.120 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.709 -3.120 5.464 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -5.496 -3.086 3.898 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -4.574 -4.204 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.903 -4.817 1.989 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.208 -5.783 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.727 -4.512 5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.080 -5.485 4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.281 -5.519 5.715 1.00 0.00 H new ATOM 149 N GLN A 8 -1.232 -3.451 6.259 1.00 0.00 N ATOM 150 CA GLN A 8 -0.979 -2.584 7.384 1.00 0.00 C ATOM 151 C GLN A 8 -0.560 -1.241 6.786 1.00 0.00 C ATOM 152 O GLN A 8 0.591 -1.054 6.398 1.00 0.00 O ATOM 153 CB GLN A 8 0.068 -3.207 8.318 1.00 0.00 C ATOM 154 CG GLN A 8 1.186 -4.032 7.665 1.00 0.00 C ATOM 155 CD GLN A 8 0.784 -5.431 7.198 1.00 0.00 C ATOM 156 OE1 GLN A 8 -0.220 -5.988 7.636 1.00 0.00 O ATOM 157 NE2 GLN A 8 1.593 -6.009 6.310 1.00 0.00 N ATOM 0 H GLN A 8 -0.480 -3.438 5.570 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.856 -2.440 8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 8 0.531 -2.403 8.891 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.453 -3.847 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 8 1.569 -3.478 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.006 -4.127 8.376 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.417 -5.512 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.388 -6.948 5.969 1.00 0.00 H new ATOM 166 N VAL A 9 -1.532 -0.333 6.648 1.00 0.00 N ATOM 167 CA VAL A 9 -1.396 0.916 5.916 1.00 0.00 C ATOM 168 C VAL A 9 -1.312 2.065 6.919 1.00 0.00 C ATOM 169 O VAL A 9 -2.321 2.414 7.529 1.00 0.00 O ATOM 170 CB VAL A 9 -2.590 1.079 4.964 1.00 0.00 C ATOM 171 CG1 VAL A 9 -2.448 2.377 4.170 1.00 0.00 C ATOM 172 CG2 VAL A 9 -2.697 -0.103 3.991 1.00 0.00 C ATOM 0 H VAL A 9 -2.458 -0.457 7.057 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.487 0.917 5.314 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.497 1.110 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.298 2.486 3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.418 3.223 4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.526 2.349 3.589 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.552 0.045 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.787 -0.167 3.395 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.828 -1.027 4.554 1.00 0.00 H new ATOM 182 N TYR A 10 -0.110 2.626 7.106 1.00 0.00 N ATOM 183 CA TYR A 10 0.168 3.557 8.196 1.00 0.00 C ATOM 184 C TYR A 10 0.767 4.874 7.702 1.00 0.00 C ATOM 185 O TYR A 10 1.372 4.937 6.630 1.00 0.00 O ATOM 186 CB TYR A 10 1.074 2.887 9.240 1.00 0.00 C ATOM 187 CG TYR A 10 2.349 2.264 8.707 1.00 0.00 C ATOM 188 CD1 TYR A 10 3.545 3.006 8.657 1.00 0.00 C ATOM 189 CD2 TYR A 10 2.360 0.899 8.366 1.00 0.00 C ATOM 190 CE1 TYR A 10 4.732 2.392 8.219 1.00 0.00 C ATOM 191 CE2 TYR A 10 3.544 0.292 7.920 1.00 0.00 C ATOM 192 CZ TYR A 10 4.724 1.046 7.815 1.00 0.00 C ATOM 193 OH TYR A 10 5.861 0.475 7.325 1.00 0.00 O ATOM 0 H TYR A 10 0.693 2.444 6.504 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.783 3.812 8.665 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.342 3.630 9.991 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.499 2.113 9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.551 4.044 8.954 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.454 0.316 8.448 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.652 2.957 8.193 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.548 -0.756 7.657 1.00 0.00 H new ATOM 0 HH TYR A 10 5.684 -0.461 7.093 1.00 0.00 H new ATOM 203 N SER A 11 0.611 5.913 8.532 1.00 0.00 N ATOM 204 CA SER A 11 1.277 7.198 8.385 1.00 0.00 C ATOM 205 C SER A 11 2.561 7.145 9.216 1.00 0.00 C ATOM 206 O SER A 11 2.494 6.836 10.406 1.00 0.00 O ATOM 207 CB SER A 11 0.358 8.318 8.889 1.00 0.00 C ATOM 208 OG SER A 11 0.803 9.570 8.415 1.00 0.00 O ATOM 0 H SER A 11 -0.002 5.874 9.346 1.00 0.00 H new ATOM 0 HA SER A 11 1.511 7.400 7.340 1.00 0.00 H new ATOM 0 HB2 SER A 11 -0.663 8.137 8.554 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.340 8.320 9.979 1.00 0.00 H new ATOM 0 HG SER A 11 1.479 9.930 9.026 1.00 0.00 H new ATOM 214 N ARG A 12 3.725 7.426 8.617 1.00 0.00 N ATOM 215 CA ARG A 12 4.983 7.458 9.357 1.00 0.00 C ATOM 216 C ARG A 12 5.056 8.737 10.187 1.00 0.00 C ATOM 217 O ARG A 12 5.033 8.680 11.415 1.00 0.00 O ATOM 218 CB ARG A 12 6.181 7.339 8.402 1.00 0.00 C ATOM 219 CG ARG A 12 6.681 5.896 8.269 1.00 0.00 C ATOM 220 CD ARG A 12 7.431 5.378 9.506 1.00 0.00 C ATOM 221 NE ARG A 12 8.649 6.159 9.783 1.00 0.00 N ATOM 222 CZ ARG A 12 8.787 7.137 10.697 1.00 0.00 C ATOM 223 NH1 ARG A 12 7.765 7.521 11.475 1.00 0.00 N ATOM 224 NH2 ARG A 12 9.972 7.746 10.832 1.00 0.00 N ATOM 0 H ARG A 12 3.817 7.634 7.623 1.00 0.00 H new ATOM 0 HA ARG A 12 5.023 6.604 10.033 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.897 7.714 7.419 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.993 7.970 8.762 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.830 5.244 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.339 5.829 7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.771 5.417 10.372 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.698 4.332 9.356 1.00 0.00 H new ATOM 0 HE ARG A 12 9.473 5.935 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.855 7.069 11.382 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.897 8.265 12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.758 7.467 10.245 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.088 8.489 11.522 1.00 0.00 H new ATOM 238 N HIS A 13 5.161 9.883 9.510 1.00 0.00 N ATOM 239 CA HIS A 13 5.198 11.194 10.141 1.00 0.00 C ATOM 240 C HIS A 13 3.755 11.620 10.453 1.00 0.00 C ATOM 241 O HIS A 13 2.824 11.083 9.856 1.00 0.00 O ATOM 242 CB HIS A 13 5.897 12.177 9.192 1.00 0.00 C ATOM 243 CG HIS A 13 7.353 11.893 8.905 1.00 0.00 C ATOM 244 ND1 HIS A 13 7.982 10.703 9.281 1.00 0.00 N ATOM 245 CD2 HIS A 13 8.254 12.668 8.222 1.00 0.00 C ATOM 246 CE1 HIS A 13 9.224 10.805 8.802 1.00 0.00 C ATOM 247 NE2 HIS A 13 9.439 11.965 8.162 1.00 0.00 N ATOM 0 H HIS A 13 5.223 9.921 8.493 1.00 0.00 H new ATOM 0 HA HIS A 13 5.759 11.175 11.076 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.355 12.187 8.246 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.818 13.179 9.615 1.00 0.00 H new ATOM 0 HD2 HIS A 13 8.070 13.648 7.807 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.975 10.037 8.917 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.307 12.267 7.719 1.00 0.00 H new ATOM 255 N PRO A 14 3.527 12.558 11.386 1.00 0.00 N ATOM 256 CA PRO A 14 2.184 12.983 11.751 1.00 0.00 C ATOM 257 C PRO A 14 1.612 13.873 10.645 1.00 0.00 C ATOM 258 O PRO A 14 2.136 14.956 10.389 1.00 0.00 O ATOM 259 CB PRO A 14 2.340 13.717 13.084 1.00 0.00 C ATOM 260 CG PRO A 14 3.763 14.271 13.023 1.00 0.00 C ATOM 261 CD PRO A 14 4.523 13.216 12.217 1.00 0.00 C ATOM 0 HA PRO A 14 1.483 12.155 11.861 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.604 14.513 13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.208 13.044 13.931 1.00 0.00 H new ATOM 0 HG2 PRO A 14 3.794 15.246 12.537 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.187 14.398 14.019 1.00 0.00 H new ATOM 0 HD2 PRO A 14 5.300 13.676 11.606 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.016 12.501 12.876 1.00 0.00 H new ATOM 269 N ALA A 15 0.562 13.391 9.967 1.00 0.00 N ATOM 270 CA ALA A 15 -0.113 14.084 8.875 1.00 0.00 C ATOM 271 C ALA A 15 -0.558 15.487 9.303 1.00 0.00 C ATOM 272 O ALA A 15 -1.123 15.656 10.382 1.00 0.00 O ATOM 273 CB ALA A 15 -1.307 13.246 8.414 1.00 0.00 C ATOM 0 H ALA A 15 0.151 12.481 10.174 1.00 0.00 H new ATOM 0 HA ALA A 15 0.582 14.207 8.045 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.817 13.757 7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.957 12.273 8.070 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.999 13.110 9.245 1.00 0.00 H new ATOM 279 N GLU A 16 -0.269 16.492 8.466 1.00 0.00 N ATOM 280 CA GLU A 16 -0.441 17.903 8.789 1.00 0.00 C ATOM 281 C GLU A 16 -0.534 18.701 7.483 1.00 0.00 C ATOM 282 O GLU A 16 0.157 18.389 6.514 1.00 0.00 O ATOM 283 CB GLU A 16 0.740 18.340 9.672 1.00 0.00 C ATOM 284 CG GLU A 16 0.772 19.840 10.001 1.00 0.00 C ATOM 285 CD GLU A 16 2.055 20.236 10.731 1.00 0.00 C ATOM 286 OE1 GLU A 16 2.566 19.404 11.515 1.00 0.00 O ATOM 287 OE2 GLU A 16 2.542 21.356 10.469 1.00 0.00 O ATOM 0 H GLU A 16 0.098 16.337 7.527 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.361 18.085 9.345 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.707 17.777 10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.670 18.071 9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.686 20.416 9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.090 20.095 10.618 1.00 0.00 H new ATOM 294 N ASN A 17 -1.410 19.715 7.458 1.00 0.00 N ATOM 295 CA ASN A 17 -1.728 20.514 6.283 1.00 0.00 C ATOM 296 C ASN A 17 -0.490 21.221 5.723 1.00 0.00 C ATOM 297 O ASN A 17 0.038 22.135 6.354 1.00 0.00 O ATOM 298 CB ASN A 17 -2.829 21.523 6.636 1.00 0.00 C ATOM 299 CG ASN A 17 -4.213 20.883 6.766 1.00 0.00 C ATOM 300 OD1 ASN A 17 -4.462 19.791 6.259 1.00 0.00 O ATOM 301 ND2 ASN A 17 -5.133 21.579 7.433 1.00 0.00 N ATOM 0 H ASN A 17 -1.930 20.005 8.286 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.089 19.848 5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.574 22.016 7.574 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -2.864 22.296 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.078 21.209 7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.892 22.482 7.841 1.00 0.00 H new ATOM 308 N GLY A 18 -0.047 20.809 4.526 1.00 0.00 N ATOM 309 CA GLY A 18 1.078 21.412 3.827 1.00 0.00 C ATOM 310 C GLY A 18 2.381 21.180 4.587 1.00 0.00 C ATOM 311 O GLY A 18 3.121 22.125 4.852 1.00 0.00 O ATOM 0 H GLY A 18 -0.472 20.035 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.157 20.990 2.825 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.907 22.482 3.710 1.00 0.00 H new ATOM 315 N LYS A 19 2.642 19.918 4.945 1.00 0.00 N ATOM 316 CA LYS A 19 3.760 19.520 5.786 1.00 0.00 C ATOM 317 C LYS A 19 4.210 18.127 5.376 1.00 0.00 C ATOM 318 O LYS A 19 3.733 17.107 5.873 1.00 0.00 O ATOM 319 CB LYS A 19 3.311 19.536 7.231 1.00 0.00 C ATOM 320 CG LYS A 19 4.391 19.209 8.270 1.00 0.00 C ATOM 321 CD LYS A 19 5.315 20.401 8.544 1.00 0.00 C ATOM 322 CE LYS A 19 6.100 20.184 9.843 1.00 0.00 C ATOM 323 NZ LYS A 19 5.245 20.347 11.036 1.00 0.00 N ATOM 0 H LYS A 19 2.064 19.132 4.647 1.00 0.00 H new ATOM 0 HA LYS A 19 4.597 20.208 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.905 20.523 7.455 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.495 18.822 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.915 18.900 9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.985 18.365 7.920 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.007 20.532 7.712 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.727 21.316 8.616 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.535 19.185 9.842 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.928 20.892 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.828 20.647 11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.519 21.067 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.785 19.442 11.259 1.00 0.00 H new ATOM 337 N SER A 20 5.135 18.155 4.429 1.00 0.00 N ATOM 338 CA SER A 20 5.693 17.006 3.725 1.00 0.00 C ATOM 339 C SER A 20 5.957 15.831 4.662 1.00 0.00 C ATOM 340 O SER A 20 6.635 15.966 5.679 1.00 0.00 O ATOM 341 CB SER A 20 6.963 17.394 2.972 1.00 0.00 C ATOM 342 OG SER A 20 7.864 18.110 3.794 1.00 0.00 O ATOM 0 H SER A 20 5.543 19.034 4.110 1.00 0.00 H new ATOM 0 HA SER A 20 4.946 16.680 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.451 16.495 2.595 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.701 18.001 2.106 1.00 0.00 H new ATOM 0 HG SER A 20 7.893 17.699 4.683 1.00 0.00 H new ATOM 348 N ASN A 21 5.349 14.698 4.315 1.00 0.00 N ATOM 349 CA ASN A 21 5.094 13.591 5.221 1.00 0.00 C ATOM 350 C ASN A 21 5.565 12.285 4.573 1.00 0.00 C ATOM 351 O ASN A 21 6.307 12.329 3.593 1.00 0.00 O ATOM 352 CB ASN A 21 3.590 13.600 5.527 1.00 0.00 C ATOM 353 CG ASN A 21 3.292 13.145 6.944 1.00 0.00 C ATOM 354 OD1 ASN A 21 3.037 11.968 7.179 1.00 0.00 O ATOM 355 ND2 ASN A 21 3.341 14.086 7.886 1.00 0.00 N ATOM 0 H ASN A 21 5.013 14.525 3.368 1.00 0.00 H new ATOM 0 HA ASN A 21 5.644 13.685 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.197 14.606 5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.073 12.949 4.822 1.00 0.00 H new ATOM 0 HD21 ASN A 21 3.161 13.842 8.860 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.558 15.050 7.633 1.00 0.00 H new ATOM 362 N PHE A 22 5.141 11.130 5.103 1.00 0.00 N ATOM 363 CA PHE A 22 5.526 9.817 4.589 1.00 0.00 C ATOM 364 C PHE A 22 4.377 8.823 4.754 1.00 0.00 C ATOM 365 O PHE A 22 3.956 8.535 5.874 1.00 0.00 O ATOM 366 CB PHE A 22 6.784 9.297 5.297 1.00 0.00 C ATOM 367 CG PHE A 22 8.080 9.677 4.614 1.00 0.00 C ATOM 368 CD1 PHE A 22 8.682 10.919 4.880 1.00 0.00 C ATOM 369 CD2 PHE A 22 8.660 8.802 3.677 1.00 0.00 C ATOM 370 CE1 PHE A 22 9.872 11.279 4.225 1.00 0.00 C ATOM 371 CE2 PHE A 22 9.873 9.143 3.056 1.00 0.00 C ATOM 372 CZ PHE A 22 10.474 10.386 3.322 1.00 0.00 C ATOM 0 H PHE A 22 4.516 11.085 5.908 1.00 0.00 H new ATOM 0 HA PHE A 22 5.751 9.922 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.798 9.680 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.727 8.211 5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.230 11.597 5.588 1.00 0.00 H new ATOM 0 HD2 PHE A 22 8.173 7.869 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.324 12.241 4.415 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.344 8.450 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 22 11.398 10.655 2.832 1.00 0.00 H new ATOM 382 N LEU A 23 3.883 8.309 3.621 1.00 0.00 N ATOM 383 CA LEU A 23 2.791 7.348 3.539 1.00 0.00 C ATOM 384 C LEU A 23 3.373 5.981 3.224 1.00 0.00 C ATOM 385 O LEU A 23 4.225 5.871 2.344 1.00 0.00 O ATOM 386 CB LEU A 23 1.814 7.771 2.441 1.00 0.00 C ATOM 387 CG LEU A 23 0.672 6.782 2.197 1.00 0.00 C ATOM 388 CD1 LEU A 23 -0.200 6.657 3.447 1.00 0.00 C ATOM 389 CD2 LEU A 23 -0.182 7.331 1.054 1.00 0.00 C ATOM 0 H LEU A 23 4.251 8.565 2.705 1.00 0.00 H new ATOM 0 HA LEU A 23 2.253 7.309 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.390 8.740 2.703 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.367 7.906 1.511 1.00 0.00 H new ATOM 0 HG LEU A 23 1.079 5.800 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.008 5.950 3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.407 6.301 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.621 7.631 3.696 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.007 6.647 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.579 8.307 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.430 7.431 0.158 1.00 0.00 H new ATOM 401 N ASN A 24 2.913 4.950 3.941 1.00 0.00 N ATOM 402 CA ASN A 24 3.458 3.611 3.843 1.00 0.00 C ATOM 403 C ASN A 24 2.326 2.594 3.764 1.00 0.00 C ATOM 404 O ASN A 24 1.785 2.184 4.793 1.00 0.00 O ATOM 405 CB ASN A 24 4.345 3.338 5.057 1.00 0.00 C ATOM 406 CG ASN A 24 5.595 4.219 5.107 1.00 0.00 C ATOM 407 OD1 ASN A 24 5.509 5.418 5.363 1.00 0.00 O ATOM 408 ND2 ASN A 24 6.770 3.625 4.886 1.00 0.00 N ATOM 0 H ASN A 24 2.146 5.032 4.608 1.00 0.00 H new ATOM 0 HA ASN A 24 4.059 3.524 2.938 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.763 3.494 5.965 1.00 0.00 H new ATOM 0 HB3 ASN A 24 4.648 2.291 5.048 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.632 4.169 4.927 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.806 2.627 4.676 1.00 0.00 H new ATOM 415 N CYS A 25 2.009 2.152 2.541 1.00 0.00 N ATOM 416 CA CYS A 25 1.189 0.970 2.339 1.00 0.00 C ATOM 417 C CYS A 25 2.151 -0.205 2.487 1.00 0.00 C ATOM 418 O CYS A 25 2.970 -0.416 1.596 1.00 0.00 O ATOM 419 CB CYS A 25 0.529 0.947 0.943 1.00 0.00 C ATOM 420 SG CYS A 25 -0.330 2.444 0.369 1.00 0.00 S ATOM 0 H CYS A 25 2.313 2.603 1.678 1.00 0.00 H new ATOM 0 HA CYS A 25 0.367 0.939 3.054 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.303 0.708 0.214 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.188 0.126 0.928 1.00 0.00 H new ATOM 425 N TYR A 26 2.101 -0.938 3.604 1.00 0.00 N ATOM 426 CA TYR A 26 2.861 -2.172 3.763 1.00 0.00 C ATOM 427 C TYR A 26 1.893 -3.339 3.632 1.00 0.00 C ATOM 428 O TYR A 26 0.868 -3.353 4.307 1.00 0.00 O ATOM 429 CB TYR A 26 3.586 -2.180 5.114 1.00 0.00 C ATOM 430 CG TYR A 26 4.356 -3.447 5.468 1.00 0.00 C ATOM 431 CD1 TYR A 26 5.011 -4.203 4.477 1.00 0.00 C ATOM 432 CD2 TYR A 26 4.419 -3.877 6.807 1.00 0.00 C ATOM 433 CE1 TYR A 26 5.639 -5.415 4.803 1.00 0.00 C ATOM 434 CE2 TYR A 26 5.007 -5.113 7.130 1.00 0.00 C ATOM 435 CZ TYR A 26 5.613 -5.888 6.125 1.00 0.00 C ATOM 436 OH TYR A 26 6.179 -7.092 6.426 1.00 0.00 O ATOM 0 H TYR A 26 1.535 -0.691 4.416 1.00 0.00 H new ATOM 0 HA TYR A 26 3.629 -2.255 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 26 4.283 -1.342 5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.850 -1.999 5.897 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.030 -3.847 3.457 1.00 0.00 H new ATOM 0 HD2 TYR A 26 4.013 -3.254 7.591 1.00 0.00 H new ATOM 0 HE1 TYR A 26 6.143 -5.985 4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.993 -5.467 8.150 1.00 0.00 H new ATOM 0 HH TYR A 26 6.076 -7.271 7.384 1.00 0.00 H new ATOM 446 N VAL A 27 2.213 -4.305 2.763 1.00 0.00 N ATOM 447 CA VAL A 27 1.439 -5.528 2.621 1.00 0.00 C ATOM 448 C VAL A 27 2.385 -6.702 2.811 1.00 0.00 C ATOM 449 O VAL A 27 3.502 -6.687 2.295 1.00 0.00 O ATOM 450 CB VAL A 27 0.736 -5.611 1.256 1.00 0.00 C ATOM 451 CG1 VAL A 27 -0.359 -6.679 1.299 1.00 0.00 C ATOM 452 CG2 VAL A 27 0.072 -4.290 0.890 1.00 0.00 C ATOM 0 H VAL A 27 3.019 -4.253 2.140 1.00 0.00 H new ATOM 0 HA VAL A 27 0.650 -5.544 3.373 1.00 0.00 H new ATOM 0 HB VAL A 27 1.497 -5.856 0.515 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.853 -6.733 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.085 -7.646 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.090 -6.420 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.415 -4.384 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.671 -4.034 1.646 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.826 -3.505 0.842 1.00 0.00 H new ATOM 462 N SER A 28 1.914 -7.724 3.526 1.00 0.00 N ATOM 463 CA SER A 28 2.593 -8.997 3.660 1.00 0.00 C ATOM 464 C SER A 28 1.550 -10.112 3.771 1.00 0.00 C ATOM 465 O SER A 28 0.360 -9.860 3.594 1.00 0.00 O ATOM 466 CB SER A 28 3.579 -8.941 4.840 1.00 0.00 C ATOM 467 OG SER A 28 2.891 -8.726 6.054 1.00 0.00 O ATOM 0 H SER A 28 1.031 -7.681 4.035 1.00 0.00 H new ATOM 0 HA SER A 28 3.194 -9.217 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.142 -9.873 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.302 -8.141 4.679 1.00 0.00 H new ATOM 0 HG SER A 28 3.534 -8.695 6.793 1.00 0.00 H new ATOM 473 N GLY A 29 1.983 -11.347 4.053 1.00 0.00 N ATOM 474 CA GLY A 29 1.076 -12.459 4.312 1.00 0.00 C ATOM 475 C GLY A 29 0.769 -13.298 3.069 1.00 0.00 C ATOM 476 O GLY A 29 0.545 -14.497 3.201 1.00 0.00 O ATOM 0 H GLY A 29 2.970 -11.598 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.512 -13.102 5.077 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.142 -12.069 4.717 1.00 0.00 H new ATOM 480 N PHE A 30 0.713 -12.681 1.881 1.00 0.00 N ATOM 481 CA PHE A 30 0.137 -13.275 0.675 1.00 0.00 C ATOM 482 C PHE A 30 1.099 -14.243 -0.018 1.00 0.00 C ATOM 483 O PHE A 30 2.285 -14.261 0.287 1.00 0.00 O ATOM 484 CB PHE A 30 -0.305 -12.163 -0.290 1.00 0.00 C ATOM 485 CG PHE A 30 0.764 -11.143 -0.642 1.00 0.00 C ATOM 486 CD1 PHE A 30 1.610 -11.378 -1.737 1.00 0.00 C ATOM 487 CD2 PHE A 30 0.918 -9.962 0.111 1.00 0.00 C ATOM 488 CE1 PHE A 30 2.622 -10.466 -2.067 1.00 0.00 C ATOM 489 CE2 PHE A 30 1.974 -9.083 -0.175 1.00 0.00 C ATOM 490 CZ PHE A 30 2.831 -9.342 -1.256 1.00 0.00 C ATOM 0 H PHE A 30 1.074 -11.739 1.732 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.730 -13.862 0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.660 -12.625 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.153 -11.638 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.480 -12.270 -2.331 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.225 -9.734 0.907 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.237 -10.628 -2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.127 -8.207 0.437 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.654 -8.674 -1.463 1.00 0.00 H new ATOM 500 N HIS A 31 0.591 -15.023 -0.982 1.00 0.00 N ATOM 501 CA HIS A 31 1.388 -15.729 -1.983 1.00 0.00 C ATOM 502 C HIS A 31 0.477 -16.051 -3.173 1.00 0.00 C ATOM 503 O HIS A 31 -0.704 -16.315 -2.945 1.00 0.00 O ATOM 504 CB HIS A 31 2.120 -16.958 -1.400 1.00 0.00 C ATOM 505 CG HIS A 31 1.390 -18.275 -1.483 1.00 0.00 C ATOM 506 ND1 HIS A 31 1.042 -18.996 -0.344 1.00 0.00 N ATOM 507 CD2 HIS A 31 1.069 -19.019 -2.586 1.00 0.00 C ATOM 508 CE1 HIS A 31 0.478 -20.118 -0.802 1.00 0.00 C ATOM 509 NE2 HIS A 31 0.451 -20.170 -2.143 1.00 0.00 N ATOM 0 H HIS A 31 -0.411 -15.182 -1.086 1.00 0.00 H new ATOM 0 HA HIS A 31 2.200 -15.091 -2.332 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.075 -17.063 -1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 31 2.344 -16.757 -0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.264 -18.754 -3.615 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.087 -20.897 -0.164 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.053 -20.912 -2.719 1.00 0.00 H new ATOM 517 N PRO A 32 0.962 -16.036 -4.430 1.00 0.00 N ATOM 518 CA PRO A 32 2.357 -15.931 -4.860 1.00 0.00 C ATOM 519 C PRO A 32 2.853 -14.474 -4.932 1.00 0.00 C ATOM 520 O PRO A 32 2.275 -13.583 -4.316 1.00 0.00 O ATOM 521 CB PRO A 32 2.378 -16.643 -6.222 1.00 0.00 C ATOM 522 CG PRO A 32 1.021 -16.260 -6.800 1.00 0.00 C ATOM 523 CD PRO A 32 0.125 -16.380 -5.570 1.00 0.00 C ATOM 0 HA PRO A 32 3.045 -16.388 -4.148 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.200 -16.300 -6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.487 -17.722 -6.117 1.00 0.00 H new ATOM 0 HG2 PRO A 32 1.020 -15.251 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.711 -16.931 -7.601 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -0.730 -15.708 -5.643 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -0.271 -17.391 -5.473 1.00 0.00 H new ATOM 531 N SER A 33 3.961 -14.241 -5.649 1.00 0.00 N ATOM 532 CA SER A 33 4.737 -13.008 -5.647 1.00 0.00 C ATOM 533 C SER A 33 4.003 -11.807 -6.257 1.00 0.00 C ATOM 534 O SER A 33 4.266 -10.673 -5.860 1.00 0.00 O ATOM 535 CB SER A 33 6.049 -13.258 -6.398 1.00 0.00 C ATOM 536 OG SER A 33 5.785 -13.777 -7.686 1.00 0.00 O ATOM 0 H SER A 33 4.353 -14.945 -6.274 1.00 0.00 H new ATOM 0 HA SER A 33 4.918 -12.743 -4.605 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.611 -12.328 -6.481 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.670 -13.957 -5.837 1.00 0.00 H new ATOM 0 HG SER A 33 6.631 -13.931 -8.156 1.00 0.00 H new ATOM 542 N ASP A 34 3.139 -12.042 -7.252 1.00 0.00 N ATOM 543 CA ASP A 34 2.634 -11.004 -8.142 1.00 0.00 C ATOM 544 C ASP A 34 1.503 -10.188 -7.506 1.00 0.00 C ATOM 545 O ASP A 34 0.403 -10.700 -7.304 1.00 0.00 O ATOM 546 CB ASP A 34 2.189 -11.659 -9.456 1.00 0.00 C ATOM 547 CG ASP A 34 1.570 -10.659 -10.429 1.00 0.00 C ATOM 548 OD1 ASP A 34 2.150 -9.560 -10.564 1.00 0.00 O ATOM 549 OD2 ASP A 34 0.532 -11.017 -11.027 1.00 0.00 O ATOM 0 H ASP A 34 2.770 -12.970 -7.459 1.00 0.00 H new ATOM 0 HA ASP A 34 3.434 -10.291 -8.341 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.047 -12.137 -9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.466 -12.445 -9.239 1.00 0.00 H new ATOM 554 N ILE A 35 1.784 -8.914 -7.202 1.00 0.00 N ATOM 555 CA ILE A 35 0.828 -7.973 -6.628 1.00 0.00 C ATOM 556 C ILE A 35 1.054 -6.561 -7.160 1.00 0.00 C ATOM 557 O ILE A 35 2.159 -6.201 -7.567 1.00 0.00 O ATOM 558 CB ILE A 35 0.896 -8.036 -5.093 1.00 0.00 C ATOM 559 CG1 ILE A 35 -0.040 -7.068 -4.353 1.00 0.00 C ATOM 560 CG2 ILE A 35 2.303 -7.773 -4.590 1.00 0.00 C ATOM 561 CD1 ILE A 35 -0.209 -7.459 -2.881 1.00 0.00 C ATOM 0 H ILE A 35 2.706 -8.505 -7.354 1.00 0.00 H new ATOM 0 HA ILE A 35 -0.179 -8.258 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 35 0.567 -9.051 -4.871 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.359 -6.056 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.014 -7.059 -4.841 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.316 -7.825 -3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.981 -8.523 -4.997 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.624 -6.782 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.878 -6.751 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.632 -8.462 -2.817 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.762 -7.443 -2.386 1.00 0.00 H new ATOM 573 N GLU A 36 -0.025 -5.778 -7.136 1.00 0.00 N ATOM 574 CA GLU A 36 -0.126 -4.423 -7.643 1.00 0.00 C ATOM 575 C GLU A 36 -0.641 -3.526 -6.519 1.00 0.00 C ATOM 576 O GLU A 36 -1.714 -3.800 -5.983 1.00 0.00 O ATOM 577 CB GLU A 36 -1.109 -4.396 -8.818 1.00 0.00 C ATOM 578 CG GLU A 36 -0.931 -5.604 -9.740 1.00 0.00 C ATOM 579 CD GLU A 36 -1.812 -5.485 -10.979 1.00 0.00 C ATOM 580 OE1 GLU A 36 -3.048 -5.475 -10.789 1.00 0.00 O ATOM 581 OE2 GLU A 36 -1.240 -5.399 -12.087 1.00 0.00 O ATOM 0 H GLU A 36 -0.905 -6.101 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 36 0.847 -4.070 -7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.130 -4.378 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.966 -3.479 -9.390 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.114 -5.686 -10.040 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.180 -6.517 -9.200 1.00 0.00 H new ATOM 588 N VAL A 37 0.115 -2.480 -6.155 1.00 0.00 N ATOM 589 CA VAL A 37 -0.283 -1.494 -5.152 1.00 0.00 C ATOM 590 C VAL A 37 0.262 -0.127 -5.568 1.00 0.00 C ATOM 591 O VAL A 37 1.204 0.385 -4.963 1.00 0.00 O ATOM 592 CB VAL A 37 0.177 -1.901 -3.733 1.00 0.00 C ATOM 593 CG1 VAL A 37 -0.408 -1.002 -2.635 1.00 0.00 C ATOM 594 CG2 VAL A 37 -0.248 -3.329 -3.394 1.00 0.00 C ATOM 0 H VAL A 37 1.034 -2.297 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.371 -1.442 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 37 1.262 -1.804 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.050 -1.337 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.094 0.028 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.496 -1.058 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.092 -3.581 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -1.334 -3.406 -3.439 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.195 -4.020 -4.111 1.00 0.00 H new ATOM 604 N ASP A 38 -0.351 0.478 -6.593 1.00 0.00 N ATOM 605 CA ASP A 38 -0.106 1.876 -6.920 1.00 0.00 C ATOM 606 C ASP A 38 -0.702 2.728 -5.803 1.00 0.00 C ATOM 607 O ASP A 38 -1.820 2.468 -5.359 1.00 0.00 O ATOM 608 CB ASP A 38 -0.742 2.266 -8.265 1.00 0.00 C ATOM 609 CG ASP A 38 -0.334 1.359 -9.423 1.00 0.00 C ATOM 610 OD1 ASP A 38 0.841 0.933 -9.436 1.00 0.00 O ATOM 611 OD2 ASP A 38 -1.209 1.115 -10.281 1.00 0.00 O ATOM 0 H ASP A 38 -1.020 0.015 -7.207 1.00 0.00 H new ATOM 0 HA ASP A 38 0.968 2.039 -7.011 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.827 2.245 -8.163 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.464 3.293 -8.504 1.00 0.00 H new ATOM 616 N LEU A 39 0.030 3.747 -5.350 1.00 0.00 N ATOM 617 CA LEU A 39 -0.498 4.711 -4.405 1.00 0.00 C ATOM 618 C LEU A 39 -1.230 5.769 -5.230 1.00 0.00 C ATOM 619 O LEU A 39 -0.642 6.359 -6.136 1.00 0.00 O ATOM 620 CB LEU A 39 0.622 5.260 -3.514 1.00 0.00 C ATOM 621 CG LEU A 39 1.193 4.168 -2.585 1.00 0.00 C ATOM 622 CD1 LEU A 39 2.361 3.398 -3.212 1.00 0.00 C ATOM 623 CD2 LEU A 39 1.698 4.803 -1.287 1.00 0.00 C ATOM 0 H LEU A 39 0.996 3.920 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.205 4.268 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.420 5.662 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.239 6.086 -2.914 1.00 0.00 H new ATOM 0 HG LEU A 39 0.378 3.468 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.719 2.645 -2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.026 2.911 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.170 4.090 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.100 4.028 -0.635 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.481 5.526 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.873 5.308 -0.784 1.00 0.00 H new ATOM 635 N LEU A 40 -2.535 5.925 -4.979 1.00 0.00 N ATOM 636 CA LEU A 40 -3.484 6.542 -5.895 1.00 0.00 C ATOM 637 C LEU A 40 -4.377 7.481 -5.087 1.00 0.00 C ATOM 638 O LEU A 40 -5.068 7.027 -4.177 1.00 0.00 O ATOM 639 CB LEU A 40 -4.283 5.413 -6.571 1.00 0.00 C ATOM 640 CG LEU A 40 -5.016 5.759 -7.880 1.00 0.00 C ATOM 641 CD1 LEU A 40 -6.006 6.920 -7.744 1.00 0.00 C ATOM 642 CD2 LEU A 40 -4.032 6.048 -9.017 1.00 0.00 C ATOM 0 H LEU A 40 -2.965 5.615 -4.108 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.995 7.129 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.599 4.589 -6.774 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.021 5.046 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.598 4.870 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.484 7.106 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.766 6.666 -7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.474 7.816 -7.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.585 6.288 -9.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.398 6.892 -8.744 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.411 5.170 -9.193 1.00 0.00 H new ATOM 654 N LYS A 41 -4.342 8.788 -5.380 1.00 0.00 N ATOM 655 CA LYS A 41 -5.043 9.788 -4.599 1.00 0.00 C ATOM 656 C LYS A 41 -6.520 9.893 -5.013 1.00 0.00 C ATOM 657 O LYS A 41 -7.184 8.885 -5.244 1.00 0.00 O ATOM 658 CB LYS A 41 -4.281 11.104 -4.773 1.00 0.00 C ATOM 659 CG LYS A 41 -2.793 10.940 -4.471 1.00 0.00 C ATOM 660 CD LYS A 41 -1.994 12.028 -5.168 1.00 0.00 C ATOM 661 CE LYS A 41 -2.562 13.413 -4.858 1.00 0.00 C ATOM 662 NZ LYS A 41 -1.540 14.466 -4.963 1.00 0.00 N ATOM 0 H LYS A 41 -3.822 9.171 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.067 9.515 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.407 11.465 -5.794 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.705 11.860 -4.112 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.625 10.988 -3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.453 9.959 -4.803 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.953 11.979 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.006 11.859 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.379 13.632 -5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.982 13.415 -3.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.995 15.399 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.852 14.360 -4.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.050 14.384 -5.877 1.00 0.00 H new ATOM 676 N ASN A 42 -7.015 11.129 -5.139 1.00 0.00 N ATOM 677 CA ASN A 42 -8.312 11.479 -5.704 1.00 0.00 C ATOM 678 C ASN A 42 -8.449 10.993 -7.152 1.00 0.00 C ATOM 679 O ASN A 42 -9.523 10.553 -7.555 1.00 0.00 O ATOM 680 CB ASN A 42 -8.528 13.000 -5.594 1.00 0.00 C ATOM 681 CG ASN A 42 -7.266 13.822 -5.878 1.00 0.00 C ATOM 682 OD1 ASN A 42 -6.663 14.362 -4.954 1.00 0.00 O ATOM 683 ND2 ASN A 42 -6.829 13.889 -7.136 1.00 0.00 N ATOM 0 H ASN A 42 -6.492 11.949 -4.833 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.090 10.972 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.310 13.299 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.887 13.236 -4.592 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.972 14.399 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.351 13.430 -7.882 1.00 0.00 H new ATOM 690 N GLY A 43 -7.366 11.073 -7.931 1.00 0.00 N ATOM 691 CA GLY A 43 -7.337 10.664 -9.327 1.00 0.00 C ATOM 692 C GLY A 43 -5.974 10.981 -9.935 1.00 0.00 C ATOM 693 O GLY A 43 -5.892 11.502 -11.045 1.00 0.00 O ATOM 0 H GLY A 43 -6.471 11.431 -7.597 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.540 9.596 -9.406 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.121 11.179 -9.882 1.00 0.00 H new ATOM 697 N GLU A 44 -4.910 10.672 -9.185 1.00 0.00 N ATOM 698 CA GLU A 44 -3.528 10.923 -9.550 1.00 0.00 C ATOM 699 C GLU A 44 -2.678 9.815 -8.931 1.00 0.00 C ATOM 700 O GLU A 44 -2.694 9.641 -7.711 1.00 0.00 O ATOM 701 CB GLU A 44 -3.128 12.308 -9.026 1.00 0.00 C ATOM 702 CG GLU A 44 -1.643 12.623 -9.254 1.00 0.00 C ATOM 703 CD GLU A 44 -1.261 13.949 -8.602 1.00 0.00 C ATOM 704 OE1 GLU A 44 -1.646 14.994 -9.166 1.00 0.00 O ATOM 705 OE2 GLU A 44 -0.608 13.893 -7.536 1.00 0.00 O ATOM 0 H GLU A 44 -5.001 10.223 -8.274 1.00 0.00 H new ATOM 0 HA GLU A 44 -3.382 10.918 -10.630 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.736 13.067 -9.518 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.348 12.366 -7.960 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.030 11.821 -8.843 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.436 12.666 -10.323 1.00 0.00 H new ATOM 712 N ARG A 45 -1.946 9.072 -9.770 1.00 0.00 N ATOM 713 CA ARG A 45 -1.021 8.049 -9.310 1.00 0.00 C ATOM 714 C ARG A 45 0.299 8.698 -8.909 1.00 0.00 C ATOM 715 O ARG A 45 0.779 9.613 -9.577 1.00 0.00 O ATOM 716 CB ARG A 45 -0.833 6.946 -10.364 1.00 0.00 C ATOM 717 CG ARG A 45 0.043 7.365 -11.551 1.00 0.00 C ATOM 718 CD ARG A 45 0.241 6.186 -12.506 1.00 0.00 C ATOM 719 NE ARG A 45 1.251 6.507 -13.527 1.00 0.00 N ATOM 720 CZ ARG A 45 1.041 7.213 -14.651 1.00 0.00 C ATOM 721 NH1 ARG A 45 -0.189 7.622 -14.994 1.00 0.00 N ATOM 722 NH2 ARG A 45 2.084 7.516 -15.434 1.00 0.00 N ATOM 0 H ARG A 45 -1.984 9.169 -10.785 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.440 7.559 -8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.388 6.073 -9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.811 6.642 -10.736 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.423 8.196 -12.080 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.010 7.717 -11.192 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.552 5.305 -11.944 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.705 5.939 -12.988 1.00 0.00 H new ATOM 0 HE ARG A 45 2.197 6.162 -13.367 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.986 7.398 -14.398 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.328 8.157 -15.851 1.00 0.00 H new ATOM 0 HH21 ARG A 45 3.022 7.212 -15.174 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.940 8.051 -16.290 1.00 0.00 H new ATOM 736 N ILE A 46 0.881 8.218 -7.811 1.00 0.00 N ATOM 737 CA ILE A 46 2.124 8.684 -7.266 1.00 0.00 C ATOM 738 C ILE A 46 3.186 7.730 -7.794 1.00 0.00 C ATOM 739 O ILE A 46 3.340 6.630 -7.269 1.00 0.00 O ATOM 740 CB ILE A 46 1.969 8.622 -5.747 1.00 0.00 C ATOM 741 CG1 ILE A 46 0.854 9.565 -5.263 1.00 0.00 C ATOM 742 CG2 ILE A 46 3.289 8.994 -5.095 1.00 0.00 C ATOM 743 CD1 ILE A 46 0.270 9.053 -3.950 1.00 0.00 C ATOM 0 H ILE A 46 0.469 7.461 -7.265 1.00 0.00 H new ATOM 0 HA ILE A 46 2.401 9.702 -7.540 1.00 0.00 H new ATOM 0 HB ILE A 46 1.691 7.607 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.251 10.571 -5.126 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.070 9.632 -6.017 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.184 8.951 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.062 8.294 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.570 10.004 -5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.519 9.727 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.144 8.056 -4.100 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.055 9.010 -3.195 1.00 0.00 H new ATOM 755 N GLU A 47 3.875 8.126 -8.866 1.00 0.00 N ATOM 756 CA GLU A 47 4.803 7.268 -9.571 1.00 0.00 C ATOM 757 C GLU A 47 6.130 7.132 -8.812 1.00 0.00 C ATOM 758 O GLU A 47 6.797 6.106 -8.938 1.00 0.00 O ATOM 759 CB GLU A 47 4.942 7.801 -11.001 1.00 0.00 C ATOM 760 CG GLU A 47 5.520 6.734 -11.928 1.00 0.00 C ATOM 761 CD GLU A 47 5.235 7.051 -13.393 1.00 0.00 C ATOM 762 OE1 GLU A 47 6.068 7.753 -14.003 1.00 0.00 O ATOM 763 OE2 GLU A 47 4.175 6.592 -13.872 1.00 0.00 O ATOM 0 H GLU A 47 3.797 9.061 -9.265 1.00 0.00 H new ATOM 0 HA GLU A 47 4.427 6.247 -9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.967 8.120 -11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.587 8.679 -11.005 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.596 6.661 -11.773 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.095 5.763 -11.676 1.00 0.00 H new ATOM 770 N LYS A 48 6.491 8.126 -7.984 1.00 0.00 N ATOM 771 CA LYS A 48 7.638 8.031 -7.090 1.00 0.00 C ATOM 772 C LYS A 48 7.268 7.190 -5.862 1.00 0.00 C ATOM 773 O LYS A 48 7.040 7.726 -4.777 1.00 0.00 O ATOM 774 CB LYS A 48 8.147 9.428 -6.699 1.00 0.00 C ATOM 775 CG LYS A 48 9.526 9.310 -6.028 1.00 0.00 C ATOM 776 CD LYS A 48 9.943 10.615 -5.342 1.00 0.00 C ATOM 777 CE LYS A 48 11.346 10.465 -4.739 1.00 0.00 C ATOM 778 NZ LYS A 48 11.747 11.667 -3.987 1.00 0.00 N ATOM 0 H LYS A 48 5.992 9.013 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 48 8.456 7.531 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.216 10.061 -7.584 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.441 9.905 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 48 9.504 8.505 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.271 9.039 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.933 11.433 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.227 10.869 -4.560 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.367 9.598 -4.078 1.00 0.00 H new ATOM 0 HE3 LYS A 48 12.066 10.277 -5.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.693 11.522 -3.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.767 12.486 -4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 11.064 11.842 -3.222 1.00 0.00 H new ATOM 792 N VAL A 49 7.239 5.866 -6.040 1.00 0.00 N ATOM 793 CA VAL A 49 7.105 4.906 -4.956 1.00 0.00 C ATOM 794 C VAL A 49 8.501 4.361 -4.665 1.00 0.00 C ATOM 795 O VAL A 49 9.061 3.640 -5.491 1.00 0.00 O ATOM 796 CB VAL A 49 6.142 3.768 -5.347 1.00 0.00 C ATOM 797 CG1 VAL A 49 5.874 2.862 -4.137 1.00 0.00 C ATOM 798 CG2 VAL A 49 4.816 4.317 -5.882 1.00 0.00 C ATOM 0 H VAL A 49 7.310 5.430 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 49 6.687 5.383 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 49 6.617 3.189 -6.139 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.192 2.062 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.813 2.431 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.426 3.449 -3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.160 3.488 -6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.338 4.926 -5.114 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.005 4.928 -6.764 1.00 0.00 H new ATOM 808 N GLU A 50 9.054 4.679 -3.491 1.00 0.00 N ATOM 809 CA GLU A 50 10.205 3.964 -2.973 1.00 0.00 C ATOM 810 C GLU A 50 9.660 2.668 -2.387 1.00 0.00 C ATOM 811 O GLU A 50 8.697 2.704 -1.624 1.00 0.00 O ATOM 812 CB GLU A 50 10.935 4.806 -1.923 1.00 0.00 C ATOM 813 CG GLU A 50 12.277 4.164 -1.559 1.00 0.00 C ATOM 814 CD GLU A 50 13.020 4.938 -0.474 1.00 0.00 C ATOM 815 OE1 GLU A 50 13.120 6.175 -0.620 1.00 0.00 O ATOM 816 OE2 GLU A 50 13.483 4.273 0.480 1.00 0.00 O ATOM 0 H GLU A 50 8.717 5.429 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 50 10.940 3.755 -3.750 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.099 5.813 -2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.317 4.901 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.107 3.142 -1.220 1.00 0.00 H new ATOM 0 HG3 GLU A 50 12.901 4.105 -2.451 1.00 0.00 H new ATOM 823 N HIS A 51 10.223 1.524 -2.780 1.00 0.00 N ATOM 824 CA HIS A 51 9.704 0.230 -2.375 1.00 0.00 C ATOM 825 C HIS A 51 10.840 -0.681 -1.931 1.00 0.00 C ATOM 826 O HIS A 51 11.968 -0.557 -2.407 1.00 0.00 O ATOM 827 CB HIS A 51 8.866 -0.383 -3.502 1.00 0.00 C ATOM 828 CG HIS A 51 9.677 -0.792 -4.702 1.00 0.00 C ATOM 829 ND1 HIS A 51 10.163 -2.091 -4.832 1.00 0.00 N ATOM 830 CD2 HIS A 51 10.085 -0.053 -5.781 1.00 0.00 C ATOM 831 CE1 HIS A 51 10.848 -2.087 -5.978 1.00 0.00 C ATOM 832 NE2 HIS A 51 10.831 -0.889 -6.586 1.00 0.00 N ATOM 0 H HIS A 51 11.044 1.475 -3.383 1.00 0.00 H new ATOM 0 HA HIS A 51 9.043 0.357 -1.517 1.00 0.00 H new ATOM 0 HB2 HIS A 51 8.337 -1.255 -3.117 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.109 0.337 -3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.864 0.988 -5.966 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.360 -2.952 -6.373 1.00 0.00 H new ATOM 0 HE2 HIS A 51 11.281 -0.646 -7.469 1.00 0.00 H new ATOM 840 N SER A 52 10.529 -1.591 -1.001 1.00 0.00 N ATOM 841 CA SER A 52 11.518 -2.492 -0.419 1.00 0.00 C ATOM 842 C SER A 52 11.786 -3.734 -1.281 1.00 0.00 C ATOM 843 O SER A 52 12.547 -4.600 -0.854 1.00 0.00 O ATOM 844 CB SER A 52 11.087 -2.891 0.996 1.00 0.00 C ATOM 845 OG SER A 52 9.961 -3.737 0.948 1.00 0.00 O ATOM 0 H SER A 52 9.586 -1.720 -0.634 1.00 0.00 H new ATOM 0 HA SER A 52 12.462 -1.949 -0.375 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.908 -3.397 1.504 1.00 0.00 H new ATOM 0 HB3 SER A 52 10.854 -1.999 1.577 1.00 0.00 H new ATOM 0 HG SER A 52 9.699 -3.985 1.859 1.00 0.00 H new ATOM 851 N ASP A 53 11.150 -3.837 -2.459 1.00 0.00 N ATOM 852 CA ASP A 53 11.223 -4.965 -3.382 1.00 0.00 C ATOM 853 C ASP A 53 10.556 -6.225 -2.818 1.00 0.00 C ATOM 854 O ASP A 53 10.339 -6.353 -1.612 1.00 0.00 O ATOM 855 CB ASP A 53 12.667 -5.200 -3.861 1.00 0.00 C ATOM 856 CG ASP A 53 12.760 -6.132 -5.070 1.00 0.00 C ATOM 857 OD1 ASP A 53 11.818 -6.112 -5.893 1.00 0.00 O ATOM 858 OD2 ASP A 53 13.778 -6.853 -5.152 1.00 0.00 O ATOM 0 H ASP A 53 10.542 -3.095 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 53 10.641 -4.706 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.119 -4.241 -4.115 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.250 -5.620 -3.042 1.00 0.00 H new ATOM 863 N LEU A 54 10.194 -7.143 -3.720 1.00 0.00 N ATOM 864 CA LEU A 54 9.466 -8.361 -3.406 1.00 0.00 C ATOM 865 C LEU A 54 10.366 -9.330 -2.633 1.00 0.00 C ATOM 866 O LEU A 54 11.426 -9.721 -3.119 1.00 0.00 O ATOM 867 CB LEU A 54 8.880 -8.934 -4.707 1.00 0.00 C ATOM 868 CG LEU A 54 8.004 -10.189 -4.545 1.00 0.00 C ATOM 869 CD1 LEU A 54 8.860 -11.452 -4.442 1.00 0.00 C ATOM 870 CD2 LEU A 54 6.960 -10.067 -3.430 1.00 0.00 C ATOM 0 H LEU A 54 10.408 -7.050 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 54 8.624 -8.162 -2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.286 -8.158 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.703 -9.172 -5.381 1.00 0.00 H new ATOM 0 HG LEU A 54 7.413 -10.280 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.213 -12.322 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.458 -11.561 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.520 -11.375 -3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.379 -10.988 -3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.463 -9.896 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.294 -9.231 -3.645 1.00 0.00 H new ATOM 882 N SER A 55 9.933 -9.700 -1.420 1.00 0.00 N ATOM 883 CA SER A 55 10.647 -10.563 -0.488 1.00 0.00 C ATOM 884 C SER A 55 9.637 -11.300 0.387 1.00 0.00 C ATOM 885 O SER A 55 8.805 -10.655 1.017 1.00 0.00 O ATOM 886 CB SER A 55 11.547 -9.706 0.410 1.00 0.00 C ATOM 887 OG SER A 55 12.341 -10.531 1.238 1.00 0.00 O ATOM 0 H SER A 55 9.034 -9.388 -1.052 1.00 0.00 H new ATOM 0 HA SER A 55 11.252 -11.279 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.187 -9.072 -0.204 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.936 -9.044 1.023 1.00 0.00 H new ATOM 0 HG SER A 55 12.912 -9.972 1.805 1.00 0.00 H new ATOM 893 N PHE A 56 9.721 -12.633 0.460 1.00 0.00 N ATOM 894 CA PHE A 56 8.883 -13.424 1.355 1.00 0.00 C ATOM 895 C PHE A 56 9.499 -13.599 2.739 1.00 0.00 C ATOM 896 O PHE A 56 10.672 -13.291 2.952 1.00 0.00 O ATOM 897 CB PHE A 56 8.489 -14.759 0.703 1.00 0.00 C ATOM 898 CG PHE A 56 9.439 -15.932 0.832 1.00 0.00 C ATOM 899 CD1 PHE A 56 10.832 -15.751 0.904 1.00 0.00 C ATOM 900 CD2 PHE A 56 8.900 -17.230 0.902 1.00 0.00 C ATOM 901 CE1 PHE A 56 11.669 -16.846 1.180 1.00 0.00 C ATOM 902 CE2 PHE A 56 9.738 -18.328 1.164 1.00 0.00 C ATOM 903 CZ PHE A 56 11.121 -18.132 1.326 1.00 0.00 C ATOM 0 H PHE A 56 10.370 -13.187 -0.099 1.00 0.00 H new ATOM 0 HA PHE A 56 7.964 -12.862 1.521 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.529 -15.062 1.121 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.331 -14.575 -0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.258 -14.771 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 56 7.841 -17.383 0.754 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.734 -16.699 1.280 1.00 0.00 H new ATOM 0 HE2 PHE A 56 9.320 -19.321 1.241 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.761 -18.969 1.562 1.00 0.00 H new ATOM 913 N SER A 57 8.691 -14.124 3.665 1.00 0.00 N ATOM 914 CA SER A 57 9.148 -14.624 4.948 1.00 0.00 C ATOM 915 C SER A 57 9.407 -16.128 4.809 1.00 0.00 C ATOM 916 O SER A 57 8.840 -16.778 3.930 1.00 0.00 O ATOM 917 CB SER A 57 8.101 -14.318 6.034 1.00 0.00 C ATOM 918 OG SER A 57 7.210 -15.397 6.227 1.00 0.00 O ATOM 0 H SER A 57 7.683 -14.211 3.533 1.00 0.00 H new ATOM 0 HA SER A 57 10.073 -14.133 5.250 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.607 -14.093 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.538 -13.428 5.754 1.00 0.00 H new ATOM 0 HG SER A 57 6.562 -15.165 6.925 1.00 0.00 H new ATOM 924 N LYS A 58 10.222 -16.695 5.705 1.00 0.00 N ATOM 925 CA LYS A 58 10.444 -18.137 5.762 1.00 0.00 C ATOM 926 C LYS A 58 9.171 -18.901 6.128 1.00 0.00 C ATOM 927 O LYS A 58 9.109 -20.109 5.903 1.00 0.00 O ATOM 928 CB LYS A 58 11.600 -18.468 6.716 1.00 0.00 C ATOM 929 CG LYS A 58 12.930 -17.940 6.158 1.00 0.00 C ATOM 930 CD LYS A 58 14.119 -18.078 7.121 1.00 0.00 C ATOM 931 CE LYS A 58 14.448 -19.524 7.521 1.00 0.00 C ATOM 932 NZ LYS A 58 13.666 -19.977 8.686 1.00 0.00 N ATOM 0 H LYS A 58 10.742 -16.167 6.406 1.00 0.00 H new ATOM 0 HA LYS A 58 10.725 -18.468 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.409 -18.027 7.694 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.662 -19.547 6.860 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.161 -18.473 5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 58 12.809 -16.889 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 58 15.000 -17.633 6.658 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.909 -17.503 8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.253 -20.185 6.677 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.511 -19.602 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 14.289 -20.486 9.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.251 -19.154 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.906 -20.612 8.368 1.00 0.00 H new ATOM 946 N ASP A 59 8.141 -18.203 6.626 1.00 0.00 N ATOM 947 CA ASP A 59 6.837 -18.786 6.896 1.00 0.00 C ATOM 948 C ASP A 59 5.956 -18.817 5.636 1.00 0.00 C ATOM 949 O ASP A 59 4.739 -18.966 5.747 1.00 0.00 O ATOM 950 CB ASP A 59 6.139 -18.016 8.028 1.00 0.00 C ATOM 951 CG ASP A 59 7.098 -17.627 9.150 1.00 0.00 C ATOM 952 OD1 ASP A 59 7.284 -18.462 10.061 1.00 0.00 O ATOM 953 OD2 ASP A 59 7.638 -16.502 9.060 1.00 0.00 O ATOM 0 H ASP A 59 8.199 -17.210 6.852 1.00 0.00 H new ATOM 0 HA ASP A 59 6.989 -19.819 7.210 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.678 -17.116 7.620 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.335 -18.628 8.437 1.00 0.00 H new ATOM 958 N TRP A 60 6.560 -18.680 4.446 1.00 0.00 N ATOM 959 CA TRP A 60 5.904 -18.797 3.152 1.00 0.00 C ATOM 960 C TRP A 60 4.832 -17.719 2.987 1.00 0.00 C ATOM 961 O TRP A 60 3.649 -18.018 2.830 1.00 0.00 O ATOM 962 CB TRP A 60 5.404 -20.231 2.926 1.00 0.00 C ATOM 963 CG TRP A 60 6.472 -21.267 3.100 1.00 0.00 C ATOM 964 CD1 TRP A 60 6.805 -21.855 4.269 1.00 0.00 C ATOM 965 CD2 TRP A 60 7.426 -21.773 2.119 1.00 0.00 C ATOM 966 NE1 TRP A 60 7.894 -22.681 4.093 1.00 0.00 N ATOM 967 CE2 TRP A 60 8.324 -22.661 2.782 1.00 0.00 C ATOM 968 CE3 TRP A 60 7.637 -21.560 0.739 1.00 0.00 C ATOM 969 CZ2 TRP A 60 9.379 -23.300 2.114 1.00 0.00 C ATOM 970 CZ3 TRP A 60 8.693 -22.196 0.059 1.00 0.00 C ATOM 971 CH2 TRP A 60 9.565 -23.061 0.743 1.00 0.00 C ATOM 0 H TRP A 60 7.556 -18.477 4.365 1.00 0.00 H new ATOM 0 HA TRP A 60 6.626 -18.611 2.357 1.00 0.00 H new ATOM 0 HB2 TRP A 60 4.590 -20.438 3.621 1.00 0.00 H new ATOM 0 HB3 TRP A 60 4.992 -20.310 1.920 1.00 0.00 H new ATOM 0 HD1 TRP A 60 6.292 -21.700 5.207 1.00 0.00 H new ATOM 0 HE1 TRP A 60 8.325 -23.234 4.834 1.00 0.00 H new ATOM 0 HE3 TRP A 60 6.978 -20.899 0.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 10.040 -23.967 2.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 8.834 -22.018 -0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 60 10.376 -23.541 0.215 1.00 0.00 H new ATOM 982 N SER A 61 5.269 -16.455 3.047 1.00 0.00 N ATOM 983 CA SER A 61 4.413 -15.281 2.982 1.00 0.00 C ATOM 984 C SER A 61 5.173 -14.149 2.295 1.00 0.00 C ATOM 985 O SER A 61 5.998 -13.500 2.933 1.00 0.00 O ATOM 986 CB SER A 61 4.017 -14.858 4.400 1.00 0.00 C ATOM 987 OG SER A 61 3.187 -15.832 4.996 1.00 0.00 O ATOM 0 H SER A 61 6.257 -16.222 3.145 1.00 0.00 H new ATOM 0 HA SER A 61 3.511 -15.510 2.415 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.912 -14.715 5.006 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.498 -13.900 4.368 1.00 0.00 H new ATOM 0 HG SER A 61 3.534 -16.059 5.884 1.00 0.00 H new ATOM 993 N PHE A 62 4.888 -13.906 1.009 1.00 0.00 N ATOM 994 CA PHE A 62 5.422 -12.791 0.246 1.00 0.00 C ATOM 995 C PHE A 62 5.083 -11.465 0.894 1.00 0.00 C ATOM 996 O PHE A 62 4.060 -11.339 1.568 1.00 0.00 O ATOM 997 CB PHE A 62 4.924 -12.778 -1.200 1.00 0.00 C ATOM 998 CG PHE A 62 5.788 -13.614 -2.102 1.00 0.00 C ATOM 999 CD1 PHE A 62 7.138 -13.270 -2.278 1.00 0.00 C ATOM 1000 CD2 PHE A 62 5.288 -14.792 -2.664 1.00 0.00 C ATOM 1001 CE1 PHE A 62 8.001 -14.154 -2.936 1.00 0.00 C ATOM 1002 CE2 PHE A 62 6.123 -15.618 -3.423 1.00 0.00 C ATOM 1003 CZ PHE A 62 7.480 -15.291 -3.576 1.00 0.00 C ATOM 0 H PHE A 62 4.263 -14.500 0.464 1.00 0.00 H new ATOM 0 HA PHE A 62 6.503 -12.929 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 62 3.900 -13.149 -1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 62 4.904 -11.752 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.509 -12.326 -1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.254 -15.065 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 62 9.064 -13.963 -2.952 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.725 -16.506 -3.891 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.121 -15.912 -4.184 1.00 0.00 H new ATOM 1013 N TYR A 63 5.936 -10.471 0.629 1.00 0.00 N ATOM 1014 CA TYR A 63 5.631 -9.111 1.036 1.00 0.00 C ATOM 1015 C TYR A 63 6.521 -8.115 0.308 1.00 0.00 C ATOM 1016 O TYR A 63 7.458 -8.488 -0.394 1.00 0.00 O ATOM 1017 CB TYR A 63 5.834 -8.920 2.538 1.00 0.00 C ATOM 1018 CG TYR A 63 7.164 -9.303 3.109 1.00 0.00 C ATOM 1019 CD1 TYR A 63 8.173 -8.329 3.109 1.00 0.00 C ATOM 1020 CD2 TYR A 63 7.302 -10.466 3.881 1.00 0.00 C ATOM 1021 CE1 TYR A 63 9.358 -8.546 3.818 1.00 0.00 C ATOM 1022 CE2 TYR A 63 8.485 -10.678 4.603 1.00 0.00 C ATOM 1023 CZ TYR A 63 9.525 -9.731 4.558 1.00 0.00 C ATOM 1024 OH TYR A 63 10.683 -9.952 5.245 1.00 0.00 O ATOM 0 H TYR A 63 6.825 -10.586 0.143 1.00 0.00 H new ATOM 0 HA TYR A 63 4.586 -8.934 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 63 5.658 -7.870 2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.067 -9.495 3.057 1.00 0.00 H new ATOM 0 HD1 TYR A 63 8.034 -7.409 2.560 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.504 -11.192 3.919 1.00 0.00 H new ATOM 0 HE1 TYR A 63 10.144 -7.805 3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 63 8.599 -11.573 5.197 1.00 0.00 H new ATOM 0 HH TYR A 63 10.632 -10.817 5.702 1.00 0.00 H new ATOM 1034 N LEU A 64 6.221 -6.836 0.545 1.00 0.00 N ATOM 1035 CA LEU A 64 6.990 -5.674 0.140 1.00 0.00 C ATOM 1036 C LEU A 64 6.317 -4.447 0.749 1.00 0.00 C ATOM 1037 O LEU A 64 5.111 -4.444 0.988 1.00 0.00 O ATOM 1038 CB LEU A 64 7.197 -5.562 -1.385 1.00 0.00 C ATOM 1039 CG LEU A 64 5.950 -5.393 -2.265 1.00 0.00 C ATOM 1040 CD1 LEU A 64 6.313 -5.464 -3.754 1.00 0.00 C ATOM 1041 CD2 LEU A 64 4.904 -6.484 -2.044 1.00 0.00 C ATOM 0 H LEU A 64 5.379 -6.576 1.058 1.00 0.00 H new ATOM 0 HA LEU A 64 8.008 -5.766 0.517 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.857 -4.715 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.724 -6.456 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 64 5.544 -4.422 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.412 -5.341 -4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.020 -4.670 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.766 -6.431 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.049 -6.306 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.339 -7.457 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.577 -6.469 -1.004 1.00 0.00 H new ATOM 1053 N LEU A 65 7.124 -3.429 1.042 1.00 0.00 N ATOM 1054 CA LEU A 65 6.732 -2.140 1.574 1.00 0.00 C ATOM 1055 C LEU A 65 6.715 -1.198 0.375 1.00 0.00 C ATOM 1056 O LEU A 65 7.631 -1.266 -0.442 1.00 0.00 O ATOM 1057 CB LEU A 65 7.787 -1.738 2.616 1.00 0.00 C ATOM 1058 CG LEU A 65 7.212 -1.081 3.873 1.00 0.00 C ATOM 1059 CD1 LEU A 65 8.348 -0.911 4.884 1.00 0.00 C ATOM 1060 CD2 LEU A 65 6.589 0.286 3.599 1.00 0.00 C ATOM 0 H LEU A 65 8.132 -3.494 0.903 1.00 0.00 H new ATOM 0 HA LEU A 65 5.758 -2.129 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.348 -2.625 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.495 -1.051 2.153 1.00 0.00 H new ATOM 0 HG LEU A 65 6.419 -1.725 4.253 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.962 -0.444 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 65 8.766 -1.887 5.129 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.126 -0.281 4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.199 0.701 4.528 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.346 0.956 3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.776 0.178 2.881 1.00 0.00 H new ATOM 1072 N TYR A 66 5.670 -0.372 0.234 1.00 0.00 N ATOM 1073 CA TYR A 66 5.452 0.441 -0.951 1.00 0.00 C ATOM 1074 C TYR A 66 5.086 1.855 -0.493 1.00 0.00 C ATOM 1075 O TYR A 66 3.947 2.099 -0.095 1.00 0.00 O ATOM 1076 CB TYR A 66 4.317 -0.145 -1.823 1.00 0.00 C ATOM 1077 CG TYR A 66 4.184 -1.656 -1.977 1.00 0.00 C ATOM 1078 CD1 TYR A 66 3.732 -2.416 -0.878 1.00 0.00 C ATOM 1079 CD2 TYR A 66 4.083 -2.213 -3.269 1.00 0.00 C ATOM 1080 CE1 TYR A 66 3.089 -3.645 -1.066 1.00 0.00 C ATOM 1081 CE2 TYR A 66 3.420 -3.441 -3.459 1.00 0.00 C ATOM 1082 CZ TYR A 66 2.858 -4.113 -2.363 1.00 0.00 C ATOM 1083 OH TYR A 66 2.107 -5.231 -2.551 1.00 0.00 O ATOM 0 H TYR A 66 4.952 -0.254 0.949 1.00 0.00 H new ATOM 0 HA TYR A 66 6.358 0.457 -1.557 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.374 0.225 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.425 0.276 -2.823 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.884 -2.044 0.124 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.515 -1.697 -4.114 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.773 -4.228 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.344 -3.866 -4.449 1.00 0.00 H new ATOM 0 HH TYR A 66 1.447 -5.307 -1.831 1.00 0.00 H new ATOM 1093 N TYR A 67 6.072 2.759 -0.477 1.00 0.00 N ATOM 1094 CA TYR A 67 5.970 3.982 0.301 1.00 0.00 C ATOM 1095 C TYR A 67 6.449 5.207 -0.453 1.00 0.00 C ATOM 1096 O TYR A 67 7.339 5.141 -1.295 1.00 0.00 O ATOM 1097 CB TYR A 67 6.749 3.842 1.606 1.00 0.00 C ATOM 1098 CG TYR A 67 8.178 3.351 1.492 1.00 0.00 C ATOM 1099 CD1 TYR A 67 8.458 1.993 1.246 1.00 0.00 C ATOM 1100 CD2 TYR A 67 9.232 4.249 1.718 1.00 0.00 C ATOM 1101 CE1 TYR A 67 9.783 1.532 1.242 1.00 0.00 C ATOM 1102 CE2 TYR A 67 10.555 3.786 1.730 1.00 0.00 C ATOM 1103 CZ TYR A 67 10.837 2.435 1.456 1.00 0.00 C ATOM 1104 OH TYR A 67 12.128 2.002 1.393 1.00 0.00 O ATOM 0 H TYR A 67 6.945 2.660 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 67 4.911 4.130 0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.760 4.813 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.204 3.158 2.257 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.649 1.303 1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.024 5.296 1.883 1.00 0.00 H new ATOM 0 HE1 TYR A 67 9.992 0.486 1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.362 4.469 1.951 1.00 0.00 H new ATOM 0 HH TYR A 67 12.702 2.729 1.072 1.00 0.00 H new ATOM 1114 N THR A 68 5.828 6.331 -0.109 1.00 0.00 N ATOM 1115 CA THR A 68 6.013 7.596 -0.803 1.00 0.00 C ATOM 1116 C THR A 68 6.106 8.753 0.196 1.00 0.00 C ATOM 1117 O THR A 68 5.999 8.547 1.405 1.00 0.00 O ATOM 1118 CB THR A 68 4.890 7.778 -1.835 1.00 0.00 C ATOM 1119 OG1 THR A 68 5.253 8.799 -2.740 1.00 0.00 O ATOM 1120 CG2 THR A 68 3.536 8.101 -1.200 1.00 0.00 C ATOM 0 H THR A 68 5.173 6.387 0.671 1.00 0.00 H new ATOM 0 HA THR A 68 6.958 7.591 -1.345 1.00 0.00 H new ATOM 0 HB THR A 68 4.770 6.827 -2.355 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.842 8.430 -3.431 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.786 8.217 -1.982 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.243 7.289 -0.534 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.613 9.027 -0.630 1.00 0.00 H new ATOM 1128 N GLU A 69 6.292 9.969 -0.329 1.00 0.00 N ATOM 1129 CA GLU A 69 6.534 11.188 0.431 1.00 0.00 C ATOM 1130 C GLU A 69 5.337 12.134 0.274 1.00 0.00 C ATOM 1131 O GLU A 69 5.435 13.155 -0.407 1.00 0.00 O ATOM 1132 CB GLU A 69 7.821 11.845 -0.083 1.00 0.00 C ATOM 1133 CG GLU A 69 9.015 10.884 -0.146 1.00 0.00 C ATOM 1134 CD GLU A 69 10.272 11.576 -0.663 1.00 0.00 C ATOM 1135 OE1 GLU A 69 10.177 12.187 -1.751 1.00 0.00 O ATOM 1136 OE2 GLU A 69 11.313 11.469 0.019 1.00 0.00 O ATOM 0 H GLU A 69 6.276 10.131 -1.336 1.00 0.00 H new ATOM 0 HA GLU A 69 6.653 10.958 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.640 12.252 -1.078 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.074 12.685 0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.207 10.477 0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.771 10.042 -0.794 1.00 0.00 H new ATOM 1143 N PHE A 70 4.189 11.789 0.868 1.00 0.00 N ATOM 1144 CA PHE A 70 2.949 12.516 0.622 1.00 0.00 C ATOM 1145 C PHE A 70 2.871 13.804 1.436 1.00 0.00 C ATOM 1146 O PHE A 70 3.330 13.858 2.570 1.00 0.00 O ATOM 1147 CB PHE A 70 1.716 11.642 0.872 1.00 0.00 C ATOM 1148 CG PHE A 70 1.241 11.546 2.307 1.00 0.00 C ATOM 1149 CD1 PHE A 70 2.071 10.988 3.291 1.00 0.00 C ATOM 1150 CD2 PHE A 70 -0.018 12.054 2.672 1.00 0.00 C ATOM 1151 CE1 PHE A 70 1.626 10.875 4.618 1.00 0.00 C ATOM 1152 CE2 PHE A 70 -0.369 12.112 4.028 1.00 0.00 C ATOM 1153 CZ PHE A 70 0.439 11.506 5.003 1.00 0.00 C ATOM 0 H PHE A 70 4.098 11.011 1.521 1.00 0.00 H new ATOM 0 HA PHE A 70 2.956 12.790 -0.433 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.896 12.026 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.932 10.635 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.059 10.643 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.708 12.396 1.915 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.196 10.305 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.270 12.628 4.325 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.146 11.527 6.042 1.00 0.00 H new ATOM 1163 N THR A 71 2.279 14.837 0.839 1.00 0.00 N ATOM 1164 CA THR A 71 2.118 16.160 1.432 1.00 0.00 C ATOM 1165 C THR A 71 0.621 16.473 1.486 1.00 0.00 C ATOM 1166 O THR A 71 0.080 16.989 0.508 1.00 0.00 O ATOM 1167 CB THR A 71 2.882 17.200 0.595 1.00 0.00 C ATOM 1168 OG1 THR A 71 4.247 16.844 0.508 1.00 0.00 O ATOM 1169 CG2 THR A 71 2.774 18.591 1.237 1.00 0.00 C ATOM 0 H THR A 71 1.886 14.772 -0.100 1.00 0.00 H new ATOM 0 HA THR A 71 2.527 16.189 2.442 1.00 0.00 H new ATOM 0 HB THR A 71 2.441 17.225 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.725 17.511 -0.028 1.00 0.00 H new ATOM 0 HG21 THR A 71 3.320 19.314 0.632 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.726 18.884 1.295 1.00 0.00 H new ATOM 0 HG23 THR A 71 3.199 18.563 2.240 1.00 0.00 H new ATOM 1177 N PRO A 72 -0.073 16.145 2.584 1.00 0.00 N ATOM 1178 CA PRO A 72 -1.516 16.280 2.654 1.00 0.00 C ATOM 1179 C PRO A 72 -1.900 17.734 2.904 1.00 0.00 C ATOM 1180 O PRO A 72 -1.450 18.320 3.882 1.00 0.00 O ATOM 1181 CB PRO A 72 -1.944 15.397 3.825 1.00 0.00 C ATOM 1182 CG PRO A 72 -0.727 15.429 4.757 1.00 0.00 C ATOM 1183 CD PRO A 72 0.463 15.565 3.804 1.00 0.00 C ATOM 0 HA PRO A 72 -2.003 15.982 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -2.836 15.785 4.316 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.175 14.382 3.500 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.779 16.266 5.453 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -0.658 14.520 5.355 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.237 16.202 4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.920 14.595 3.608 1.00 0.00 H new ATOM 1191 N THR A 73 -2.751 18.299 2.043 1.00 0.00 N ATOM 1192 CA THR A 73 -3.510 19.511 2.321 1.00 0.00 C ATOM 1193 C THR A 73 -4.910 19.108 2.809 1.00 0.00 C ATOM 1194 O THR A 73 -5.229 17.921 2.878 1.00 0.00 O ATOM 1195 CB THR A 73 -3.581 20.380 1.052 1.00 0.00 C ATOM 1196 OG1 THR A 73 -4.376 19.766 0.060 1.00 0.00 O ATOM 1197 CG2 THR A 73 -2.190 20.681 0.482 1.00 0.00 C ATOM 0 H THR A 73 -2.932 17.915 1.116 1.00 0.00 H new ATOM 0 HA THR A 73 -3.024 20.101 3.098 1.00 0.00 H new ATOM 0 HB THR A 73 -4.040 21.324 1.346 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.907 18.984 -0.297 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.289 21.296 -0.412 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.599 21.215 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.692 19.746 0.226 1.00 0.00 H new ATOM 1205 N GLU A 74 -5.768 20.096 3.087 1.00 0.00 N ATOM 1206 CA GLU A 74 -7.204 19.887 3.243 1.00 0.00 C ATOM 1207 C GLU A 74 -7.784 19.158 2.023 1.00 0.00 C ATOM 1208 O GLU A 74 -8.644 18.293 2.171 1.00 0.00 O ATOM 1209 CB GLU A 74 -7.904 21.244 3.404 1.00 0.00 C ATOM 1210 CG GLU A 74 -7.629 21.908 4.759 1.00 0.00 C ATOM 1211 CD GLU A 74 -8.357 21.203 5.902 1.00 0.00 C ATOM 1212 OE1 GLU A 74 -9.603 21.303 5.926 1.00 0.00 O ATOM 1213 OE2 GLU A 74 -7.661 20.585 6.736 1.00 0.00 O ATOM 0 H GLU A 74 -5.480 21.067 3.210 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.371 19.274 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.577 21.911 2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.979 21.108 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.557 21.902 4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.940 22.952 4.721 1.00 0.00 H new ATOM 1220 N LYS A 75 -7.312 19.518 0.821 1.00 0.00 N ATOM 1221 CA LYS A 75 -7.782 18.986 -0.449 1.00 0.00 C ATOM 1222 C LYS A 75 -6.861 17.843 -0.897 1.00 0.00 C ATOM 1223 O LYS A 75 -6.308 17.883 -1.995 1.00 0.00 O ATOM 1224 CB LYS A 75 -7.857 20.143 -1.462 1.00 0.00 C ATOM 1225 CG LYS A 75 -8.685 19.802 -2.710 1.00 0.00 C ATOM 1226 CD LYS A 75 -8.647 20.977 -3.696 1.00 0.00 C ATOM 1227 CE LYS A 75 -9.477 20.681 -4.950 1.00 0.00 C ATOM 1228 NZ LYS A 75 -9.433 21.806 -5.902 1.00 0.00 N ATOM 0 H LYS A 75 -6.570 20.209 0.711 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.782 18.560 -0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.290 21.017 -0.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.847 20.416 -1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.291 18.904 -3.185 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.715 19.586 -2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.028 21.875 -3.209 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.615 21.182 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.101 19.779 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.511 20.483 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.004 21.574 -6.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.815 22.660 -5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.449 21.978 -6.191 1.00 0.00 H new ATOM 1242 N ASP A 76 -6.713 16.818 -0.048 1.00 0.00 N ATOM 1243 CA ASP A 76 -5.996 15.588 -0.373 1.00 0.00 C ATOM 1244 C ASP A 76 -6.618 14.400 0.359 1.00 0.00 C ATOM 1245 O ASP A 76 -6.967 14.500 1.535 1.00 0.00 O ATOM 1246 CB ASP A 76 -4.512 15.691 0.007 1.00 0.00 C ATOM 1247 CG ASP A 76 -3.674 16.431 -1.032 1.00 0.00 C ATOM 1248 OD1 ASP A 76 -3.638 15.957 -2.188 1.00 0.00 O ATOM 1249 OD2 ASP A 76 -3.058 17.445 -0.643 1.00 0.00 O ATOM 0 H ASP A 76 -7.096 16.825 0.897 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.074 15.439 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.424 16.202 0.966 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.108 14.688 0.142 1.00 0.00 H new ATOM 1254 N GLU A 77 -6.702 13.262 -0.341 1.00 0.00 N ATOM 1255 CA GLU A 77 -7.018 11.958 0.217 1.00 0.00 C ATOM 1256 C GLU A 77 -6.210 10.924 -0.571 1.00 0.00 C ATOM 1257 O GLU A 77 -6.253 10.925 -1.800 1.00 0.00 O ATOM 1258 CB GLU A 77 -8.526 11.705 0.126 1.00 0.00 C ATOM 1259 CG GLU A 77 -8.920 10.449 0.910 1.00 0.00 C ATOM 1260 CD GLU A 77 -10.414 10.168 0.798 1.00 0.00 C ATOM 1261 OE1 GLU A 77 -10.874 9.948 -0.342 1.00 0.00 O ATOM 1262 OE2 GLU A 77 -11.077 10.156 1.859 1.00 0.00 O ATOM 0 H GLU A 77 -6.544 13.232 -1.348 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.754 11.896 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.067 12.567 0.517 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.817 11.592 -0.918 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.358 9.593 0.535 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.649 10.573 1.959 1.00 0.00 H new ATOM 1269 N TYR A 78 -5.435 10.092 0.137 1.00 0.00 N ATOM 1270 CA TYR A 78 -4.484 9.147 -0.438 1.00 0.00 C ATOM 1271 C TYR A 78 -4.938 7.714 -0.140 1.00 0.00 C ATOM 1272 O TYR A 78 -5.488 7.448 0.930 1.00 0.00 O ATOM 1273 CB TYR A 78 -3.079 9.422 0.116 1.00 0.00 C ATOM 1274 CG TYR A 78 -2.295 10.522 -0.574 1.00 0.00 C ATOM 1275 CD1 TYR A 78 -2.809 11.830 -0.655 1.00 0.00 C ATOM 1276 CD2 TYR A 78 -1.013 10.252 -1.087 1.00 0.00 C ATOM 1277 CE1 TYR A 78 -2.078 12.835 -1.310 1.00 0.00 C ATOM 1278 CE2 TYR A 78 -0.271 11.270 -1.713 1.00 0.00 C ATOM 1279 CZ TYR A 78 -0.810 12.559 -1.843 1.00 0.00 C ATOM 1280 OH TYR A 78 -0.110 13.534 -2.493 1.00 0.00 O ATOM 0 H TYR A 78 -5.457 10.061 1.156 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.446 9.270 -1.520 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.170 9.676 1.172 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -2.501 8.500 0.058 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.767 12.061 -0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.597 9.259 -1.000 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.495 13.827 -1.404 1.00 0.00 H new ATOM 0 HE2 TYR A 78 0.717 11.059 -2.095 1.00 0.00 H new ATOM 0 HH TYR A 78 0.748 13.173 -2.798 1.00 0.00 H new ATOM 1290 N ALA A 79 -4.717 6.797 -1.095 1.00 0.00 N ATOM 1291 CA ALA A 79 -5.172 5.416 -1.010 1.00 0.00 C ATOM 1292 C ALA A 79 -4.169 4.447 -1.627 1.00 0.00 C ATOM 1293 O ALA A 79 -3.292 4.850 -2.388 1.00 0.00 O ATOM 1294 CB ALA A 79 -6.530 5.286 -1.706 1.00 0.00 C ATOM 0 H ALA A 79 -4.210 7.005 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.268 5.154 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -6.873 4.253 -1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.253 5.939 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.431 5.573 -2.753 1.00 0.00 H new ATOM 1300 N CYS A 80 -4.324 3.163 -1.285 1.00 0.00 N ATOM 1301 CA CYS A 80 -3.508 2.051 -1.749 1.00 0.00 C ATOM 1302 C CYS A 80 -4.366 1.197 -2.691 1.00 0.00 C ATOM 1303 O CYS A 80 -5.447 0.760 -2.301 1.00 0.00 O ATOM 1304 CB CYS A 80 -3.045 1.229 -0.536 1.00 0.00 C ATOM 1305 SG CYS A 80 -2.305 2.161 0.840 1.00 0.00 S ATOM 0 H CYS A 80 -5.060 2.864 -0.645 1.00 0.00 H new ATOM 0 HA CYS A 80 -2.625 2.404 -2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -3.902 0.675 -0.152 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -2.318 0.493 -0.880 1.00 0.00 H new ATOM 1310 N ARG A 81 -3.904 0.973 -3.928 1.00 0.00 N ATOM 1311 CA ARG A 81 -4.634 0.235 -4.958 1.00 0.00 C ATOM 1312 C ARG A 81 -4.446 -1.277 -4.753 1.00 0.00 C ATOM 1313 O ARG A 81 -3.775 -1.921 -5.555 1.00 0.00 O ATOM 1314 CB ARG A 81 -4.096 0.683 -6.327 1.00 0.00 C ATOM 1315 CG ARG A 81 -4.842 0.114 -7.545 1.00 0.00 C ATOM 1316 CD ARG A 81 -3.848 -0.385 -8.605 1.00 0.00 C ATOM 1317 NE ARG A 81 -4.403 -0.332 -9.965 1.00 0.00 N ATOM 1318 CZ ARG A 81 -4.503 0.788 -10.705 1.00 0.00 C ATOM 1319 NH1 ARG A 81 -4.169 1.982 -10.194 1.00 0.00 N ATOM 1320 NH2 ARG A 81 -4.944 0.714 -11.968 1.00 0.00 N ATOM 0 H ARG A 81 -2.994 1.308 -4.244 1.00 0.00 H new ATOM 0 HA ARG A 81 -5.703 0.441 -4.900 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.133 1.771 -6.375 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.047 0.396 -6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.489 -0.705 -7.232 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.485 0.882 -7.975 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.942 0.219 -8.562 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.559 -1.410 -8.374 1.00 0.00 H new ATOM 0 HE ARG A 81 -4.735 -1.204 -10.376 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -3.834 2.050 -9.233 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.250 2.822 -10.766 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.203 -0.189 -12.366 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.021 1.561 -12.532 1.00 0.00 H new ATOM 1334 N VAL A 82 -5.002 -1.853 -3.679 1.00 0.00 N ATOM 1335 CA VAL A 82 -4.636 -3.192 -3.230 1.00 0.00 C ATOM 1336 C VAL A 82 -5.188 -4.249 -4.186 1.00 0.00 C ATOM 1337 O VAL A 82 -6.396 -4.469 -4.220 1.00 0.00 O ATOM 1338 CB VAL A 82 -5.104 -3.431 -1.781 1.00 0.00 C ATOM 1339 CG1 VAL A 82 -4.703 -4.833 -1.304 1.00 0.00 C ATOM 1340 CG2 VAL A 82 -4.490 -2.404 -0.821 1.00 0.00 C ATOM 0 H VAL A 82 -5.714 -1.403 -3.104 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.549 -3.276 -3.238 1.00 0.00 H new ATOM 0 HB VAL A 82 -6.189 -3.331 -1.777 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.043 -4.980 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.162 -5.582 -1.949 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.618 -4.935 -1.344 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -4.839 -2.599 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.403 -2.482 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.791 -1.400 -1.121 1.00 0.00 H new ATOM 1350 N ASN A 83 -4.304 -4.915 -4.941 1.00 0.00 N ATOM 1351 CA ASN A 83 -4.685 -5.972 -5.866 1.00 0.00 C ATOM 1352 C ASN A 83 -3.552 -6.997 -5.999 1.00 0.00 C ATOM 1353 O ASN A 83 -2.706 -6.878 -6.882 1.00 0.00 O ATOM 1354 CB ASN A 83 -5.062 -5.359 -7.221 1.00 0.00 C ATOM 1355 CG ASN A 83 -5.723 -6.397 -8.128 1.00 0.00 C ATOM 1356 OD1 ASN A 83 -6.777 -6.930 -7.788 1.00 0.00 O ATOM 1357 ND2 ASN A 83 -5.124 -6.687 -9.284 1.00 0.00 N ATOM 0 H ASN A 83 -3.301 -4.729 -4.922 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.557 -6.500 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.741 -4.520 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.170 -4.963 -7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -5.540 -7.370 -9.917 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.250 -6.226 -9.535 1.00 0.00 H new ATOM 1364 N HIS A 84 -3.550 -8.024 -5.138 1.00 0.00 N ATOM 1365 CA HIS A 84 -2.720 -9.215 -5.304 1.00 0.00 C ATOM 1366 C HIS A 84 -3.297 -10.014 -6.479 1.00 0.00 C ATOM 1367 O HIS A 84 -4.471 -9.850 -6.807 1.00 0.00 O ATOM 1368 CB HIS A 84 -2.775 -10.028 -4.009 1.00 0.00 C ATOM 1369 CG HIS A 84 -2.027 -11.332 -4.063 1.00 0.00 C ATOM 1370 ND1 HIS A 84 -2.722 -12.535 -4.113 1.00 0.00 N ATOM 1371 CD2 HIS A 84 -0.683 -11.595 -4.074 1.00 0.00 C ATOM 1372 CE1 HIS A 84 -1.780 -13.476 -4.124 1.00 0.00 C ATOM 1373 NE2 HIS A 84 -0.539 -12.965 -4.120 1.00 0.00 N ATOM 0 H HIS A 84 -4.132 -8.047 -4.300 1.00 0.00 H new ATOM 0 HA HIS A 84 -1.680 -8.963 -5.510 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.370 -9.424 -3.197 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -3.818 -10.231 -3.765 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.114 -10.866 -4.051 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.992 -14.535 -4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 84 0.337 -13.487 -4.146 1.00 0.00 H new ATOM 1381 N VAL A 85 -2.502 -10.886 -7.112 1.00 0.00 N ATOM 1382 CA VAL A 85 -2.974 -11.682 -8.242 1.00 0.00 C ATOM 1383 C VAL A 85 -4.243 -12.478 -7.904 1.00 0.00 C ATOM 1384 O VAL A 85 -5.107 -12.635 -8.765 1.00 0.00 O ATOM 1385 CB VAL A 85 -1.847 -12.565 -8.807 1.00 0.00 C ATOM 1386 CG1 VAL A 85 -1.415 -13.687 -7.856 1.00 0.00 C ATOM 1387 CG2 VAL A 85 -2.237 -13.170 -10.161 1.00 0.00 C ATOM 0 H VAL A 85 -1.529 -11.055 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.263 -10.991 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.995 -11.897 -8.933 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.618 -14.269 -8.318 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.054 -13.254 -6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.266 -14.336 -7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.419 -13.788 -10.532 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.130 -13.783 -10.042 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.439 -12.369 -10.873 1.00 0.00 H new ATOM 1397 N THR A 86 -4.373 -12.959 -6.659 1.00 0.00 N ATOM 1398 CA THR A 86 -5.526 -13.744 -6.238 1.00 0.00 C ATOM 1399 C THR A 86 -6.761 -12.879 -5.949 1.00 0.00 C ATOM 1400 O THR A 86 -7.875 -13.401 -5.999 1.00 0.00 O ATOM 1401 CB THR A 86 -5.150 -14.716 -5.106 1.00 0.00 C ATOM 1402 OG1 THR A 86 -5.794 -15.952 -5.320 1.00 0.00 O ATOM 1403 CG2 THR A 86 -5.521 -14.220 -3.708 1.00 0.00 C ATOM 0 H THR A 86 -3.681 -12.812 -5.924 1.00 0.00 H new ATOM 0 HA THR A 86 -5.832 -14.367 -7.079 1.00 0.00 H new ATOM 0 HB THR A 86 -4.064 -14.807 -5.137 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.122 -16.659 -5.413 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.223 -14.962 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.007 -13.280 -3.507 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.598 -14.064 -3.651 1.00 0.00 H new ATOM 1411 N LEU A 87 -6.599 -11.570 -5.690 1.00 0.00 N ATOM 1412 CA LEU A 87 -7.736 -10.658 -5.668 1.00 0.00 C ATOM 1413 C LEU A 87 -8.260 -10.513 -7.096 1.00 0.00 C ATOM 1414 O LEU A 87 -7.632 -9.870 -7.934 1.00 0.00 O ATOM 1415 CB LEU A 87 -7.360 -9.283 -5.094 1.00 0.00 C ATOM 1416 CG LEU A 87 -7.590 -9.154 -3.580 1.00 0.00 C ATOM 1417 CD1 LEU A 87 -6.853 -10.220 -2.766 1.00 0.00 C ATOM 1418 CD2 LEU A 87 -7.136 -7.763 -3.120 1.00 0.00 C ATOM 0 H LEU A 87 -5.699 -11.131 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.507 -11.070 -5.017 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.310 -9.085 -5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.941 -8.516 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.656 -9.299 -3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.057 -10.073 -1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.196 -11.210 -3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.781 -10.137 -2.944 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.296 -7.664 -2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.077 -7.634 -3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.712 -7.000 -3.644 1.00 0.00 H new ATOM 1430 N SER A 88 -9.439 -11.090 -7.348 1.00 0.00 N ATOM 1431 CA SER A 88 -10.180 -10.914 -8.587 1.00 0.00 C ATOM 1432 C SER A 88 -10.756 -9.496 -8.709 1.00 0.00 C ATOM 1433 O SER A 88 -11.260 -9.141 -9.772 1.00 0.00 O ATOM 1434 CB SER A 88 -11.304 -11.956 -8.644 1.00 0.00 C ATOM 1435 OG SER A 88 -10.767 -13.261 -8.585 1.00 0.00 O ATOM 0 H SER A 88 -9.908 -11.702 -6.680 1.00 0.00 H new ATOM 0 HA SER A 88 -9.498 -11.054 -9.425 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.994 -11.802 -7.815 1.00 0.00 H new ATOM 0 HB3 SER A 88 -11.877 -11.833 -9.563 1.00 0.00 H new ATOM 0 HG SER A 88 -11.495 -13.916 -8.621 1.00 0.00 H new ATOM 1441 N GLN A 89 -10.707 -8.700 -7.628 1.00 0.00 N ATOM 1442 CA GLN A 89 -11.240 -7.349 -7.562 1.00 0.00 C ATOM 1443 C GLN A 89 -10.208 -6.469 -6.850 1.00 0.00 C ATOM 1444 O GLN A 89 -9.844 -6.787 -5.718 1.00 0.00 O ATOM 1445 CB GLN A 89 -12.551 -7.352 -6.763 1.00 0.00 C ATOM 1446 CG GLN A 89 -13.699 -8.107 -7.445 1.00 0.00 C ATOM 1447 CD GLN A 89 -14.268 -7.344 -8.640 1.00 0.00 C ATOM 1448 OE1 GLN A 89 -15.195 -6.553 -8.485 1.00 0.00 O ATOM 1449 NE2 GLN A 89 -13.728 -7.583 -9.836 1.00 0.00 N ATOM 0 H GLN A 89 -10.279 -8.999 -6.752 1.00 0.00 H new ATOM 0 HA GLN A 89 -11.439 -6.969 -8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -12.367 -7.798 -5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -12.861 -6.321 -6.590 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -13.343 -9.082 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -14.493 -8.287 -6.720 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.959 -8.247 -9.925 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -14.084 -7.102 -10.662 1.00 0.00 H new ATOM 1458 N PRO A 90 -9.744 -5.363 -7.459 1.00 0.00 N ATOM 1459 CA PRO A 90 -8.844 -4.430 -6.800 1.00 0.00 C ATOM 1460 C PRO A 90 -9.620 -3.672 -5.718 1.00 0.00 C ATOM 1461 O PRO A 90 -10.837 -3.515 -5.822 1.00 0.00 O ATOM 1462 CB PRO A 90 -8.361 -3.493 -7.910 1.00 0.00 C ATOM 1463 CG PRO A 90 -9.557 -3.444 -8.859 1.00 0.00 C ATOM 1464 CD PRO A 90 -10.128 -4.861 -8.769 1.00 0.00 C ATOM 0 HA PRO A 90 -8.000 -4.915 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -8.111 -2.505 -7.524 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -7.469 -3.878 -8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.286 -2.695 -8.550 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -9.255 -3.195 -9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -11.212 -4.853 -8.882 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -9.730 -5.494 -9.562 1.00 0.00 H new ATOM 1472 N LYS A 91 -8.921 -3.230 -4.667 1.00 0.00 N ATOM 1473 CA LYS A 91 -9.522 -2.602 -3.502 1.00 0.00 C ATOM 1474 C LYS A 91 -8.751 -1.320 -3.214 1.00 0.00 C ATOM 1475 O LYS A 91 -7.654 -1.366 -2.660 1.00 0.00 O ATOM 1476 CB LYS A 91 -9.482 -3.567 -2.310 1.00 0.00 C ATOM 1477 CG LYS A 91 -10.259 -4.856 -2.598 1.00 0.00 C ATOM 1478 CD LYS A 91 -10.244 -5.767 -1.368 1.00 0.00 C ATOM 1479 CE LYS A 91 -11.011 -7.059 -1.665 1.00 0.00 C ATOM 1480 NZ LYS A 91 -10.987 -7.978 -0.514 1.00 0.00 N ATOM 0 H LYS A 91 -7.905 -3.303 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 91 -10.569 -2.359 -3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -8.446 -3.811 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.902 -3.078 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.287 -4.617 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.816 -5.374 -3.449 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.216 -6.000 -1.090 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.695 -5.253 -0.519 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.044 -6.820 -1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.574 -7.551 -2.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.515 -8.842 -0.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -10.002 -8.225 -0.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.426 -7.516 0.308 1.00 0.00 H new ATOM 1494 N ILE A 92 -9.316 -0.176 -3.616 1.00 0.00 N ATOM 1495 CA ILE A 92 -8.653 1.111 -3.511 1.00 0.00 C ATOM 1496 C ILE A 92 -8.863 1.656 -2.093 1.00 0.00 C ATOM 1497 O ILE A 92 -9.622 2.599 -1.877 1.00 0.00 O ATOM 1498 CB ILE A 92 -9.133 2.057 -4.629 1.00 0.00 C ATOM 1499 CG1 ILE A 92 -9.306 1.367 -5.999 1.00 0.00 C ATOM 1500 CG2 ILE A 92 -8.142 3.222 -4.746 1.00 0.00 C ATOM 1501 CD1 ILE A 92 -8.065 0.617 -6.491 1.00 0.00 C ATOM 0 H ILE A 92 -10.250 -0.126 -4.024 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.578 1.013 -3.662 1.00 0.00 H new ATOM 0 HB ILE A 92 -10.125 2.411 -4.349 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -10.138 0.666 -5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -9.578 2.119 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.469 3.900 -5.534 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.099 3.760 -3.799 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.152 2.835 -4.988 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.275 0.163 -7.459 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.233 1.315 -6.590 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.802 -0.161 -5.774 1.00 0.00 H new ATOM 1513 N VAL A 93 -8.203 1.018 -1.119 1.00 0.00 N ATOM 1514 CA VAL A 93 -8.360 1.293 0.300 1.00 0.00 C ATOM 1515 C VAL A 93 -7.712 2.635 0.628 1.00 0.00 C ATOM 1516 O VAL A 93 -6.486 2.739 0.635 1.00 0.00 O ATOM 1517 CB VAL A 93 -7.741 0.149 1.127 1.00 0.00 C ATOM 1518 CG1 VAL A 93 -7.712 0.480 2.627 1.00 0.00 C ATOM 1519 CG2 VAL A 93 -8.543 -1.144 0.932 1.00 0.00 C ATOM 0 H VAL A 93 -7.528 0.277 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 93 -9.418 1.352 0.554 1.00 0.00 H new ATOM 0 HB VAL A 93 -6.718 0.019 0.774 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.268 -0.352 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.118 1.379 2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.729 0.647 2.982 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.094 -1.943 1.522 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.571 -0.987 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -8.534 -1.422 -0.122 1.00 0.00 H new ATOM 1529 N LYS A 94 -8.534 3.647 0.932 1.00 0.00 N ATOM 1530 CA LYS A 94 -8.043 4.905 1.471 1.00 0.00 C ATOM 1531 C LYS A 94 -7.334 4.642 2.797 1.00 0.00 C ATOM 1532 O LYS A 94 -7.826 3.861 3.609 1.00 0.00 O ATOM 1533 CB LYS A 94 -9.153 5.958 1.556 1.00 0.00 C ATOM 1534 CG LYS A 94 -10.318 5.580 2.482 1.00 0.00 C ATOM 1535 CD LYS A 94 -11.341 6.718 2.599 1.00 0.00 C ATOM 1536 CE LYS A 94 -12.064 7.020 1.278 1.00 0.00 C ATOM 1537 NZ LYS A 94 -12.985 8.160 1.423 1.00 0.00 N ATOM 0 H LYS A 94 -9.546 3.611 0.810 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.308 5.336 0.791 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.720 6.897 1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -9.544 6.137 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -10.811 4.685 2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.932 5.334 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.079 6.458 3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.834 7.620 2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.331 7.238 0.501 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -12.619 6.139 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -13.459 8.341 0.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -13.698 7.941 2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.450 9.005 1.708 1.00 0.00 H new ATOM 1551 N TRP A 95 -6.148 5.237 2.961 1.00 0.00 N ATOM 1552 CA TRP A 95 -5.225 4.919 4.047 1.00 0.00 C ATOM 1553 C TRP A 95 -5.882 5.140 5.420 1.00 0.00 C ATOM 1554 O TRP A 95 -6.378 4.183 6.013 1.00 0.00 O ATOM 1555 CB TRP A 95 -3.870 5.629 3.802 1.00 0.00 C ATOM 1556 CG TRP A 95 -3.225 6.402 4.917 1.00 0.00 C ATOM 1557 CD1 TRP A 95 -2.866 5.939 6.137 1.00 0.00 C ATOM 1558 CD2 TRP A 95 -2.983 7.834 4.953 1.00 0.00 C ATOM 1559 NE1 TRP A 95 -2.474 6.996 6.938 1.00 0.00 N ATOM 1560 CE2 TRP A 95 -2.569 8.195 6.266 1.00 0.00 C ATOM 1561 CE3 TRP A 95 -3.085 8.868 4.001 1.00 0.00 C ATOM 1562 CZ2 TRP A 95 -2.345 9.528 6.638 1.00 0.00 C ATOM 1563 CZ3 TRP A 95 -2.846 10.204 4.356 1.00 0.00 C ATOM 1564 CH2 TRP A 95 -2.526 10.537 5.682 1.00 0.00 C ATOM 0 H TRP A 95 -5.801 5.962 2.333 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.986 3.856 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -3.158 4.870 3.477 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -4.008 6.315 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.883 4.902 6.439 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.156 6.900 7.902 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.351 8.628 2.982 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -2.038 9.773 7.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -2.908 10.979 3.607 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -2.419 11.573 5.966 1.00 0.00 H new ATOM 1575 N ASP A 96 -5.879 6.381 5.919 1.00 0.00 N ATOM 1576 CA ASP A 96 -6.302 6.800 7.250 1.00 0.00 C ATOM 1577 C ASP A 96 -5.933 8.282 7.393 1.00 0.00 C ATOM 1578 O ASP A 96 -5.593 8.941 6.410 1.00 0.00 O ATOM 1579 CB ASP A 96 -5.638 5.958 8.370 1.00 0.00 C ATOM 1580 CG ASP A 96 -6.564 5.754 9.571 1.00 0.00 C ATOM 1581 OD1 ASP A 96 -7.188 6.750 9.998 1.00 0.00 O ATOM 1582 OD2 ASP A 96 -6.643 4.598 10.040 1.00 0.00 O ATOM 0 H ASP A 96 -5.557 7.171 5.360 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.376 6.648 7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -5.349 4.987 7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -4.724 6.452 8.699 1.00 0.00 H new ATOM 1587 N ARG A 97 -5.983 8.799 8.622 1.00 0.00 N ATOM 1588 CA ARG A 97 -5.478 10.096 9.018 1.00 0.00 C ATOM 1589 C ARG A 97 -5.233 10.044 10.530 1.00 0.00 C ATOM 1590 O ARG A 97 -6.048 10.517 11.320 1.00 0.00 O ATOM 1591 CB ARG A 97 -6.452 11.209 8.599 1.00 0.00 C ATOM 1592 CG ARG A 97 -7.932 10.927 8.913 1.00 0.00 C ATOM 1593 CD ARG A 97 -8.697 10.477 7.660 1.00 0.00 C ATOM 1594 NE ARG A 97 -10.077 10.081 7.969 1.00 0.00 N ATOM 1595 CZ ARG A 97 -10.447 8.886 8.463 1.00 0.00 C ATOM 1596 NH1 ARG A 97 -9.535 7.965 8.804 1.00 0.00 N ATOM 1597 NH2 ARG A 97 -11.749 8.609 8.617 1.00 0.00 N ATOM 0 H ARG A 97 -6.400 8.290 9.401 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.540 10.331 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.160 12.134 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.349 11.378 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -8.002 10.156 9.680 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.396 11.825 9.321 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -8.707 11.287 6.931 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.175 9.639 7.198 1.00 0.00 H new ATOM 0 HE ARG A 97 -10.813 10.766 7.795 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -8.541 8.165 8.690 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.835 7.064 9.177 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -12.452 9.302 8.360 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -12.037 7.705 8.991 1.00 0.00 H new ATOM 1611 N ASP A 98 -4.112 9.420 10.911 1.00 0.00 N ATOM 1612 CA ASP A 98 -3.765 9.049 12.273 1.00 0.00 C ATOM 1613 C ASP A 98 -2.551 9.871 12.704 1.00 0.00 C ATOM 1614 O ASP A 98 -1.419 9.389 12.696 1.00 0.00 O ATOM 1615 CB ASP A 98 -3.507 7.536 12.322 1.00 0.00 C ATOM 1616 CG ASP A 98 -3.056 7.053 13.701 1.00 0.00 C ATOM 1617 OD1 ASP A 98 -3.591 7.581 14.700 1.00 0.00 O ATOM 1618 OD2 ASP A 98 -2.187 6.155 13.729 1.00 0.00 O ATOM 0 H ASP A 98 -3.393 9.151 10.240 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.575 9.264 12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.417 7.008 12.038 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.746 7.278 11.586 1.00 0.00 H new ATOM 1623 N MET A 99 -2.818 11.130 13.058 1.00 0.00 N ATOM 1624 CA MET A 99 -1.857 12.083 13.601 1.00 0.00 C ATOM 1625 C MET A 99 -2.191 12.407 15.060 1.00 0.00 C ATOM 1626 O MET A 99 -3.390 12.336 15.412 1.00 0.00 O ATOM 1627 CB MET A 99 -1.797 13.354 12.739 1.00 0.00 C ATOM 1628 CG MET A 99 -3.140 14.079 12.561 1.00 0.00 C ATOM 1629 SD MET A 99 -4.211 13.409 11.260 1.00 0.00 S ATOM 1630 CE MET A 99 -5.679 14.435 11.506 1.00 0.00 C ATOM 1631 OXT MET A 99 -1.237 12.735 15.799 1.00 0.00 O ATOM 0 H MET A 99 -3.753 11.527 12.969 1.00 0.00 H new ATOM 0 HA MET A 99 -0.867 11.628 13.578 1.00 0.00 H new ATOM 0 HB2 MET A 99 -1.084 14.046 13.187 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.410 13.090 11.755 1.00 0.00 H new ATOM 0 HG2 MET A 99 -3.680 14.047 13.507 1.00 0.00 H new ATOM 0 HG3 MET A 99 -2.942 15.128 12.342 1.00 0.00 H new ATOM 0 HE1 MET A 99 -6.445 14.154 10.783 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.062 14.286 12.516 1.00 0.00 H new ATOM 0 HE3 MET A 99 -5.417 15.484 11.368 1.00 0.00 H new TER 1641 MET A 99