USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 SER OG : rot -131:sc= -0.22 USER MOD Set 1.2: A 84 LYS NZ :NH3+ -174:sc= 0.349 (180deg=0.19) USER MOD Set 2.1: A 60 HIS : no HD1:sc= -9.91! C(o=-9.9!,f=-10!) USER MOD Set 2.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.696 (180deg=-2) USER MOD Single : A 1 MET N :NH3+ 165:sc=0.000543 (180deg=0) USER MOD Single : A 2 SER OG : rot -33:sc= 0.206! USER MOD Single : A 5 ASN : amide:sc= -1.52 K(o=-1.5,f=-4.1!) USER MOD Single : A 9 ASN : amide:sc= -1.02 K(o=-1,f=-0.33) USER MOD Single : A 16 LYS NZ :NH3+ -157:sc= -0.079 (180deg=-0.45) USER MOD Single : A 17 SER OG : rot 160:sc= -1.11 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 CYS SG : rot 170:sc= -0.498 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -9.46! C(o=-9.5!,f=-14!) USER MOD Single : A 42 CYS SG : rot -130:sc= -3.09! USER MOD Single : A 43 CYS SG : rot 10:sc= -5.43! USER MOD Single : A 46 CYS SG : rot 180:sc= 0.00642 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl 154:sc= -0.143 (180deg=-0.173) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -179:sc= -0.276 (180deg=-0.278) USER MOD Single : A 64 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.22) USER MOD Single : A 65 ASN : amide:sc= -0.244 K(o=-0.24,f=-2.5!) USER MOD Single : A 70 HIS : no HD1:sc= -0.038 X(o=-0.038,f=-0.43) USER MOD Single : A 74 ASN : amide:sc=-0.00439 X(o=-0.0044,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -3.39 K(o=-3.4,f=-18!) USER MOD Single : A 85 ASN : amide:sc= -1.51! C(o=-1.5!,f=-1.3!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 140:sc= -0.873 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.717 16.186 -5.912 1.00 0.00 N ATOM 2 CA MET A 1 5.421 15.729 -5.442 1.00 0.00 C ATOM 3 C MET A 1 5.533 14.358 -4.772 1.00 0.00 C ATOM 4 O MET A 1 6.440 13.585 -5.079 1.00 0.00 O ATOM 5 CB MET A 1 4.450 15.643 -6.622 1.00 0.00 C ATOM 6 CG MET A 1 3.075 16.196 -6.242 1.00 0.00 C ATOM 7 SD MET A 1 1.797 15.069 -6.774 1.00 0.00 S ATOM 8 CE MET A 1 0.394 15.765 -5.918 1.00 0.00 C ATOM 0 H1 MET A 1 6.587 16.977 -6.574 1.00 0.00 H new ATOM 0 H2 MET A 1 7.288 16.503 -5.102 1.00 0.00 H new ATOM 0 H3 MET A 1 7.206 15.406 -6.396 1.00 0.00 H new ATOM 0 HA MET A 1 5.050 16.443 -4.707 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.850 16.202 -7.468 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.353 14.606 -6.943 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.018 16.341 -5.163 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.926 17.172 -6.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.522 15.501 -6.446 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.355 15.370 -4.903 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.492 16.850 -5.882 1.00 0.00 H new ATOM 16 N SER A 2 4.597 14.096 -3.871 1.00 0.00 N ATOM 17 CA SER A 2 4.580 12.832 -3.154 1.00 0.00 C ATOM 18 C SER A 2 3.139 12.343 -2.992 1.00 0.00 C ATOM 19 O SER A 2 2.305 13.039 -2.415 1.00 0.00 O ATOM 20 CB SER A 2 5.254 12.963 -1.788 1.00 0.00 C ATOM 21 OG SER A 2 4.314 12.886 -0.719 1.00 0.00 O ATOM 0 H SER A 2 3.845 14.738 -3.621 1.00 0.00 H new ATOM 0 HA SER A 2 5.142 12.101 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.998 12.175 -1.674 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.786 13.913 -1.736 1.00 0.00 H new ATOM 0 HG SER A 2 3.463 13.279 -1.003 1.00 0.00 H new ATOM 26 N GLU A 3 2.891 11.149 -3.510 1.00 0.00 N ATOM 27 CA GLU A 3 1.566 10.560 -3.429 1.00 0.00 C ATOM 28 C GLU A 3 1.670 9.050 -3.198 1.00 0.00 C ATOM 29 O GLU A 3 2.511 8.384 -3.799 1.00 0.00 O ATOM 30 CB GLU A 3 0.751 10.867 -4.687 1.00 0.00 C ATOM 31 CG GLU A 3 0.588 12.376 -4.878 1.00 0.00 C ATOM 32 CD GLU A 3 -0.166 12.686 -6.174 1.00 0.00 C ATOM 33 OE1 GLU A 3 0.398 12.545 -7.268 1.00 0.00 O ATOM 34 OE2 GLU A 3 -1.383 13.085 -6.014 1.00 0.00 O ATOM 0 H GLU A 3 3.585 10.574 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 3 1.044 11.003 -2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.245 10.437 -5.559 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.230 10.398 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.049 12.798 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 3 1.569 12.851 -4.901 1.00 0.00 H new ATOM 40 N VAL A 4 0.803 8.556 -2.327 1.00 0.00 N ATOM 41 CA VAL A 4 0.787 7.138 -2.010 1.00 0.00 C ATOM 42 C VAL A 4 -0.536 6.530 -2.480 1.00 0.00 C ATOM 43 O VAL A 4 -1.608 7.030 -2.144 1.00 0.00 O ATOM 44 CB VAL A 4 1.041 6.933 -0.515 1.00 0.00 C ATOM 45 CG1 VAL A 4 -0.212 7.249 0.302 1.00 0.00 C ATOM 46 CG2 VAL A 4 1.536 5.513 -0.233 1.00 0.00 C ATOM 0 H VAL A 4 0.107 9.112 -1.831 1.00 0.00 H new ATOM 0 HA VAL A 4 1.589 6.620 -2.536 1.00 0.00 H new ATOM 0 HB VAL A 4 1.824 7.627 -0.210 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.004 7.095 1.361 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.502 8.286 0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.024 6.591 -0.008 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.709 5.394 0.837 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.786 4.794 -0.562 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.467 5.338 -0.773 1.00 0.00 H new ATOM 56 N ASN A 5 -0.417 5.459 -3.251 1.00 0.00 N ATOM 57 CA ASN A 5 -1.590 4.777 -3.772 1.00 0.00 C ATOM 58 C ASN A 5 -1.317 3.273 -3.830 1.00 0.00 C ATOM 59 O ASN A 5 -0.403 2.831 -4.526 1.00 0.00 O ATOM 60 CB ASN A 5 -1.922 5.253 -5.188 1.00 0.00 C ATOM 61 CG ASN A 5 -0.699 5.148 -6.101 1.00 0.00 C ATOM 62 OD1 ASN A 5 -0.377 4.098 -6.633 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.037 6.291 -6.253 1.00 0.00 N ATOM 0 H ASN A 5 0.474 5.047 -3.528 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.429 4.998 -3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.737 4.655 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -2.270 6.286 -5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.794 6.324 -6.844 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -0.360 7.134 -5.779 1.00 0.00 H new ATOM 69 N ILE A 6 -2.124 2.528 -3.091 1.00 0.00 N ATOM 70 CA ILE A 6 -1.981 1.082 -3.050 1.00 0.00 C ATOM 71 C ILE A 6 -3.368 0.437 -3.026 1.00 0.00 C ATOM 72 O ILE A 6 -4.198 0.771 -2.183 1.00 0.00 O ATOM 73 CB ILE A 6 -1.089 0.665 -1.878 1.00 0.00 C ATOM 74 CG1 ILE A 6 0.391 0.860 -2.220 1.00 0.00 C ATOM 75 CG2 ILE A 6 -1.392 -0.769 -1.442 1.00 0.00 C ATOM 76 CD1 ILE A 6 0.919 2.172 -1.636 1.00 0.00 C ATOM 0 H ILE A 6 -2.880 2.898 -2.515 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.478 0.724 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.312 1.313 -1.030 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.972 0.024 -1.830 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.521 0.861 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.745 -1.040 -0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.434 -0.842 -1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.214 -1.448 -2.276 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.972 2.287 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.352 3.007 -2.047 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.810 2.158 -0.552 1.00 0.00 H new ATOM 87 N VAL A 7 -3.576 -0.478 -3.962 1.00 0.00 N ATOM 88 CA VAL A 7 -4.848 -1.173 -4.061 1.00 0.00 C ATOM 89 C VAL A 7 -4.604 -2.682 -4.013 1.00 0.00 C ATOM 90 O VAL A 7 -3.826 -3.214 -4.803 1.00 0.00 O ATOM 91 CB VAL A 7 -5.593 -0.726 -5.320 1.00 0.00 C ATOM 92 CG1 VAL A 7 -5.421 0.775 -5.555 1.00 0.00 C ATOM 93 CG2 VAL A 7 -5.137 -1.529 -6.540 1.00 0.00 C ATOM 0 H VAL A 7 -2.884 -0.754 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.488 -0.921 -3.216 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.655 -0.921 -5.169 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.961 1.066 -6.456 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.817 1.325 -4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.362 1.005 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.682 -1.192 -7.422 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.068 -1.380 -6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.336 -2.588 -6.374 1.00 0.00 H new ATOM 103 N VAL A 8 -5.282 -3.331 -3.078 1.00 0.00 N ATOM 104 CA VAL A 8 -5.149 -4.768 -2.916 1.00 0.00 C ATOM 105 C VAL A 8 -6.485 -5.439 -3.241 1.00 0.00 C ATOM 106 O VAL A 8 -7.477 -5.222 -2.547 1.00 0.00 O ATOM 107 CB VAL A 8 -4.643 -5.093 -1.510 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.597 -6.605 -1.279 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.274 -4.459 -1.260 1.00 0.00 C ATOM 0 H VAL A 8 -5.926 -2.887 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.409 -5.163 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.346 -4.666 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.234 -6.808 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.598 -7.021 -1.395 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.927 -7.064 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.937 -4.706 -0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.557 -4.842 -1.986 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.350 -3.376 -1.362 1.00 0.00 H new ATOM 119 N ASN A 9 -6.468 -6.241 -4.295 1.00 0.00 N ATOM 120 CA ASN A 9 -7.666 -6.946 -4.721 1.00 0.00 C ATOM 121 C ASN A 9 -7.447 -8.452 -4.571 1.00 0.00 C ATOM 122 O ASN A 9 -6.667 -9.047 -5.315 1.00 0.00 O ATOM 123 CB ASN A 9 -7.983 -6.657 -6.189 1.00 0.00 C ATOM 124 CG ASN A 9 -8.480 -5.222 -6.371 1.00 0.00 C ATOM 125 OD1 ASN A 9 -9.653 -4.922 -6.225 1.00 0.00 O ATOM 126 ND2 ASN A 9 -7.525 -4.356 -6.698 1.00 0.00 N ATOM 0 H ASN A 9 -5.643 -6.419 -4.868 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.495 -6.607 -4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.091 -6.816 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.740 -7.356 -6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.756 -3.373 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.562 -4.675 -6.804 1.00 0.00 H new ATOM 132 N GLY A 10 -8.147 -9.027 -3.605 1.00 0.00 N ATOM 133 CA GLY A 10 -8.039 -10.453 -3.348 1.00 0.00 C ATOM 134 C GLY A 10 -6.859 -10.756 -2.422 1.00 0.00 C ATOM 135 O GLY A 10 -6.138 -11.731 -2.627 1.00 0.00 O ATOM 0 H GLY A 10 -8.792 -8.531 -2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.962 -10.816 -2.897 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.913 -10.987 -4.290 1.00 0.00 H new ATOM 139 N ARG A 11 -6.699 -9.901 -1.422 1.00 0.00 N ATOM 140 CA ARG A 11 -5.618 -10.065 -0.464 1.00 0.00 C ATOM 141 C ARG A 11 -4.391 -10.671 -1.146 1.00 0.00 C ATOM 142 O ARG A 11 -3.917 -11.734 -0.747 1.00 0.00 O ATOM 143 CB ARG A 11 -6.045 -10.965 0.698 1.00 0.00 C ATOM 144 CG ARG A 11 -6.503 -12.334 0.191 1.00 0.00 C ATOM 145 CD ARG A 11 -6.381 -13.393 1.288 1.00 0.00 C ATOM 146 NE ARG A 11 -5.392 -14.421 0.892 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.359 -15.673 1.397 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.261 -16.063 2.322 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.431 -16.510 0.970 1.00 0.00 N ATOM 0 H ARG A 11 -7.299 -9.093 -1.254 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.369 -9.079 -0.073 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.213 -11.090 1.391 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.854 -10.489 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.537 -12.273 -0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.902 -12.626 -0.670 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.076 -12.925 2.224 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.351 -13.858 1.465 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.692 -14.168 0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.975 -15.410 2.645 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.229 -17.011 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.754 -16.207 0.270 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.391 -17.459 1.340 1.00 0.00 H new ATOM 159 N GLU A 12 -3.911 -9.969 -2.163 1.00 0.00 N ATOM 160 CA GLU A 12 -2.747 -10.425 -2.904 1.00 0.00 C ATOM 161 C GLU A 12 -1.500 -9.661 -2.456 1.00 0.00 C ATOM 162 O GLU A 12 -1.465 -8.433 -2.514 1.00 0.00 O ATOM 163 CB GLU A 12 -2.967 -10.281 -4.411 1.00 0.00 C ATOM 164 CG GLU A 12 -1.726 -10.722 -5.190 1.00 0.00 C ATOM 165 CD GLU A 12 -1.643 -10.006 -6.539 1.00 0.00 C ATOM 166 OE1 GLU A 12 -1.781 -10.646 -7.591 1.00 0.00 O ATOM 167 OE2 GLU A 12 -1.427 -8.735 -6.469 1.00 0.00 O ATOM 0 H GLU A 12 -4.307 -9.088 -2.491 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.596 -11.483 -2.691 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -3.825 -10.881 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.202 -9.244 -4.651 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.831 -10.509 -4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.755 -11.800 -5.348 1.00 0.00 H new ATOM 173 N ALA A 13 -0.506 -10.419 -2.018 1.00 0.00 N ATOM 174 CA ALA A 13 0.740 -9.830 -1.560 1.00 0.00 C ATOM 175 C ALA A 13 1.914 -10.551 -2.223 1.00 0.00 C ATOM 176 O ALA A 13 1.730 -11.581 -2.870 1.00 0.00 O ATOM 177 CB ALA A 13 0.805 -9.892 -0.032 1.00 0.00 C ATOM 0 H ALA A 13 -0.539 -11.437 -1.971 1.00 0.00 H new ATOM 0 HA ALA A 13 0.795 -8.779 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.740 -9.450 0.311 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.034 -9.339 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.755 -10.931 0.292 1.00 0.00 H new ATOM 183 N GLY A 14 3.097 -9.984 -2.038 1.00 0.00 N ATOM 184 CA GLY A 14 4.303 -10.560 -2.610 1.00 0.00 C ATOM 185 C GLY A 14 5.530 -9.709 -2.277 1.00 0.00 C ATOM 186 O GLY A 14 6.296 -9.343 -3.167 1.00 0.00 O ATOM 0 H GLY A 14 3.247 -9.131 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.443 -11.571 -2.228 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.194 -10.640 -3.692 1.00 0.00 H new ATOM 190 N SER A 15 5.677 -9.417 -0.993 1.00 0.00 N ATOM 191 CA SER A 15 6.798 -8.615 -0.532 1.00 0.00 C ATOM 192 C SER A 15 7.111 -8.946 0.928 1.00 0.00 C ATOM 193 O SER A 15 6.449 -9.786 1.534 1.00 0.00 O ATOM 194 CB SER A 15 6.506 -7.121 -0.687 1.00 0.00 C ATOM 195 OG SER A 15 5.443 -6.876 -1.603 1.00 0.00 O ATOM 0 H SER A 15 5.039 -9.721 -0.258 1.00 0.00 H new ATOM 0 HA SER A 15 7.666 -8.854 -1.146 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.251 -6.699 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.405 -6.610 -1.031 1.00 0.00 H new ATOM 0 HG SER A 15 5.716 -6.187 -2.244 1.00 0.00 H new ATOM 200 N LYS A 16 8.121 -8.267 1.452 1.00 0.00 N ATOM 201 CA LYS A 16 8.531 -8.478 2.830 1.00 0.00 C ATOM 202 C LYS A 16 7.653 -7.632 3.754 1.00 0.00 C ATOM 203 O LYS A 16 7.920 -7.533 4.951 1.00 0.00 O ATOM 204 CB LYS A 16 10.029 -8.211 2.991 1.00 0.00 C ATOM 205 CG LYS A 16 10.315 -6.709 3.047 1.00 0.00 C ATOM 206 CD LYS A 16 11.283 -6.293 1.938 1.00 0.00 C ATOM 207 CE LYS A 16 10.880 -4.945 1.336 1.00 0.00 C ATOM 208 NZ LYS A 16 9.594 -5.065 0.612 1.00 0.00 N ATOM 0 H LYS A 16 8.668 -7.570 0.947 1.00 0.00 H new ATOM 0 HA LYS A 16 8.384 -9.520 3.115 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.391 -8.688 3.902 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.573 -8.658 2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.382 -6.154 2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.737 -6.452 4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.295 -6.229 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.297 -7.054 1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.791 -4.199 2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.657 -4.597 0.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.521 -4.304 -0.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.550 -5.987 0.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.807 -4.988 1.287 1.00 0.00 H new ATOM 217 N SER A 17 6.623 -7.043 3.163 1.00 0.00 N ATOM 218 CA SER A 17 5.704 -6.209 3.918 1.00 0.00 C ATOM 219 C SER A 17 5.300 -6.915 5.213 1.00 0.00 C ATOM 220 O SER A 17 5.113 -6.271 6.245 1.00 0.00 O ATOM 221 CB SER A 17 4.463 -5.867 3.091 1.00 0.00 C ATOM 222 OG SER A 17 4.718 -5.946 1.690 1.00 0.00 O ATOM 0 H SER A 17 6.405 -7.127 2.170 1.00 0.00 H new ATOM 0 HA SER A 17 6.212 -5.276 4.163 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.654 -6.549 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.125 -4.862 3.342 1.00 0.00 H new ATOM 0 HG SER A 17 3.870 -6.041 1.208 1.00 0.00 H new ATOM 227 N LYS A 18 5.176 -8.231 5.118 1.00 0.00 N ATOM 228 CA LYS A 18 4.797 -9.032 6.271 1.00 0.00 C ATOM 229 C LYS A 18 5.705 -8.683 7.450 1.00 0.00 C ATOM 230 O LYS A 18 5.325 -8.864 8.606 1.00 0.00 O ATOM 231 CB LYS A 18 4.799 -10.519 5.912 1.00 0.00 C ATOM 232 CG LYS A 18 3.669 -10.849 4.935 1.00 0.00 C ATOM 233 CD LYS A 18 4.118 -11.894 3.911 1.00 0.00 C ATOM 234 CE LYS A 18 2.916 -12.496 3.179 1.00 0.00 C ATOM 235 NZ LYS A 18 3.007 -12.228 1.727 1.00 0.00 N ATOM 0 H LYS A 18 5.331 -8.763 4.261 1.00 0.00 H new ATOM 0 HA LYS A 18 3.776 -8.802 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.758 -10.788 5.469 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.687 -11.115 6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.805 -11.221 5.485 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.352 -9.942 4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.795 -11.435 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.676 -12.684 4.413 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.877 -13.571 3.355 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.992 -12.074 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 2.184 -12.643 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.022 -11.201 1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.879 -12.651 1.350 1.00 0.00 H new ATOM 244 N GLY A 19 6.889 -8.187 7.119 1.00 0.00 N ATOM 245 CA GLY A 19 7.855 -7.810 8.137 1.00 0.00 C ATOM 246 C GLY A 19 7.627 -6.371 8.603 1.00 0.00 C ATOM 247 O GLY A 19 6.486 -5.948 8.785 1.00 0.00 O ATOM 0 H GLY A 19 7.201 -8.038 6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.776 -8.488 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.865 -7.912 7.740 1.00 0.00 H new ATOM 251 N CYS A 20 8.730 -5.660 8.785 1.00 0.00 N ATOM 252 CA CYS A 20 8.664 -4.277 9.226 1.00 0.00 C ATOM 253 C CYS A 20 8.927 -3.374 8.020 1.00 0.00 C ATOM 254 O CYS A 20 9.295 -3.855 6.949 1.00 0.00 O ATOM 255 CB CYS A 20 9.643 -4.002 10.369 1.00 0.00 C ATOM 256 SG CYS A 20 9.322 -5.149 11.759 1.00 0.00 S ATOM 0 H CYS A 20 9.674 -6.016 8.635 1.00 0.00 H new ATOM 0 HA CYS A 20 7.672 -4.067 9.625 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.668 -4.122 10.018 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.540 -2.971 10.707 1.00 0.00 H new ATOM 0 HG CYS A 20 10.283 -5.056 12.629 1.00 0.00 H new ATOM 261 N ALA A 21 8.729 -2.082 8.234 1.00 0.00 N ATOM 262 CA ALA A 21 8.939 -1.108 7.177 1.00 0.00 C ATOM 263 C ALA A 21 10.434 -1.015 6.865 1.00 0.00 C ATOM 264 O ALA A 21 10.848 -1.226 5.726 1.00 0.00 O ATOM 265 CB ALA A 21 8.347 0.239 7.598 1.00 0.00 C ATOM 0 H ALA A 21 8.425 -1.687 9.124 1.00 0.00 H new ATOM 0 HA ALA A 21 8.430 -1.417 6.264 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.505 0.970 6.805 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.278 0.126 7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.836 0.582 8.510 1.00 0.00 H new ATOM 271 N LEU A 22 11.203 -0.701 7.897 1.00 0.00 N ATOM 272 CA LEU A 22 12.642 -0.578 7.748 1.00 0.00 C ATOM 273 C LEU A 22 13.192 -1.841 7.081 1.00 0.00 C ATOM 274 O LEU A 22 13.808 -1.770 6.019 1.00 0.00 O ATOM 275 CB LEU A 22 13.296 -0.260 9.094 1.00 0.00 C ATOM 276 CG LEU A 22 14.827 -0.229 9.107 1.00 0.00 C ATOM 277 CD1 LEU A 22 15.401 -1.633 9.304 1.00 0.00 C ATOM 278 CD2 LEU A 22 15.371 0.442 7.844 1.00 0.00 C ATOM 0 H LEU A 22 10.856 -0.528 8.840 1.00 0.00 H new ATOM 0 HA LEU A 22 12.886 0.260 7.095 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.930 0.709 9.433 1.00 0.00 H new ATOM 0 HB3 LEU A 22 12.961 -0.999 9.822 1.00 0.00 H new ATOM 0 HG LEU A 22 15.151 0.373 9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 22 16.490 -1.583 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 15.051 -2.039 10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 22 15.071 -2.278 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 22 16.460 0.451 7.877 1.00 0.00 H new ATOM 0 HD22 LEU A 22 15.040 -0.112 6.966 1.00 0.00 H new ATOM 0 HD23 LEU A 22 15.001 1.466 7.788 1.00 0.00 H new ATOM 289 N CYS A 23 12.947 -2.969 7.732 1.00 0.00 N ATOM 290 CA CYS A 23 13.409 -4.247 7.217 1.00 0.00 C ATOM 291 C CYS A 23 12.282 -5.268 7.383 1.00 0.00 C ATOM 292 O CYS A 23 11.338 -5.038 8.137 1.00 0.00 O ATOM 293 CB CYS A 23 14.698 -4.702 7.904 1.00 0.00 C ATOM 294 SG CYS A 23 15.825 -5.463 6.680 1.00 0.00 S ATOM 0 H CYS A 23 12.434 -3.024 8.612 1.00 0.00 H new ATOM 0 HA CYS A 23 13.655 -4.148 6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 23 15.186 -3.851 8.380 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.466 -5.419 8.692 1.00 0.00 H new ATOM 0 HG CYS A 23 16.917 -5.844 7.274 1.00 0.00 H new ATOM 299 N GLY A 24 12.418 -6.373 6.665 1.00 0.00 N ATOM 300 CA GLY A 24 11.422 -7.430 6.724 1.00 0.00 C ATOM 301 C GLY A 24 12.081 -8.790 6.971 1.00 0.00 C ATOM 302 O GLY A 24 12.419 -9.500 6.026 1.00 0.00 O ATOM 0 H GLY A 24 13.202 -6.560 6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.708 -7.218 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 24 10.860 -7.458 5.790 1.00 0.00 H new ATOM 306 N ALA A 25 12.240 -9.111 8.247 1.00 0.00 N ATOM 307 CA ALA A 25 12.852 -10.373 8.629 1.00 0.00 C ATOM 308 C ALA A 25 11.788 -11.283 9.245 1.00 0.00 C ATOM 309 O ALA A 25 12.004 -12.485 9.391 1.00 0.00 O ATOM 310 CB ALA A 25 14.015 -10.106 9.586 1.00 0.00 C ATOM 0 H ALA A 25 11.956 -8.520 9.028 1.00 0.00 H new ATOM 0 HA ALA A 25 13.258 -10.884 7.756 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.475 -11.052 9.873 1.00 0.00 H new ATOM 0 HB2 ALA A 25 14.756 -9.478 9.092 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.644 -9.598 10.476 1.00 0.00 H new ATOM 316 N THR A 26 10.662 -10.676 9.589 1.00 0.00 N ATOM 317 CA THR A 26 9.564 -11.417 10.186 1.00 0.00 C ATOM 318 C THR A 26 8.374 -11.475 9.225 1.00 0.00 C ATOM 319 O THR A 26 8.386 -10.829 8.178 1.00 0.00 O ATOM 320 CB THR A 26 9.228 -10.767 11.529 1.00 0.00 C ATOM 321 OG1 THR A 26 10.438 -10.867 12.275 1.00 0.00 O ATOM 322 CG2 THR A 26 8.222 -11.585 12.341 1.00 0.00 C ATOM 0 H THR A 26 10.486 -9.679 9.466 1.00 0.00 H new ATOM 0 HA THR A 26 9.843 -12.454 10.372 1.00 0.00 H new ATOM 0 HB THR A 26 8.829 -9.767 11.358 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.310 -10.467 13.161 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.019 -11.079 13.285 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.295 -11.686 11.776 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.634 -12.574 12.541 1.00 0.00 H new ATOM 330 N TRP A 27 7.376 -12.254 9.615 1.00 0.00 N ATOM 331 CA TRP A 27 6.181 -12.403 8.801 1.00 0.00 C ATOM 332 C TRP A 27 4.986 -12.572 9.741 1.00 0.00 C ATOM 333 O TRP A 27 5.090 -13.241 10.768 1.00 0.00 O ATOM 334 CB TRP A 27 6.333 -13.562 7.813 1.00 0.00 C ATOM 335 CG TRP A 27 7.275 -14.670 8.292 1.00 0.00 C ATOM 336 CD1 TRP A 27 8.588 -14.793 8.062 1.00 0.00 C ATOM 337 CD2 TRP A 27 6.917 -15.813 9.098 1.00 0.00 C ATOM 338 NE1 TRP A 27 9.103 -15.926 8.658 1.00 0.00 N ATOM 339 CE2 TRP A 27 8.053 -16.566 9.308 1.00 0.00 C ATOM 340 CE3 TRP A 27 5.675 -16.196 9.633 1.00 0.00 C ATOM 341 CZ2 TRP A 27 8.062 -17.750 10.055 1.00 0.00 C ATOM 342 CZ3 TRP A 27 5.699 -17.382 10.377 1.00 0.00 C ATOM 343 CH2 TRP A 27 6.835 -18.153 10.597 1.00 0.00 C ATOM 0 H TRP A 27 7.370 -12.789 10.484 1.00 0.00 H new ATOM 0 HA TRP A 27 6.018 -11.516 8.188 1.00 0.00 H new ATOM 0 HB2 TRP A 27 5.350 -13.993 7.620 1.00 0.00 H new ATOM 0 HB3 TRP A 27 6.701 -13.171 6.864 1.00 0.00 H new ATOM 0 HD1 TRP A 27 9.171 -14.093 7.482 1.00 0.00 H new ATOM 0 HE1 TRP A 27 10.074 -16.237 8.628 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.773 -15.621 9.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 8.966 -18.322 10.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.770 -17.722 10.810 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.772 -19.058 11.183 1.00 0.00 H new ATOM 353 N GLY A 28 3.880 -11.953 9.356 1.00 0.00 N ATOM 354 CA GLY A 28 2.667 -12.026 10.153 1.00 0.00 C ATOM 355 C GLY A 28 1.447 -12.291 9.269 1.00 0.00 C ATOM 356 O GLY A 28 1.308 -11.698 8.201 1.00 0.00 O ATOM 0 H GLY A 28 3.798 -11.399 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.762 -12.819 10.895 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.529 -11.093 10.699 1.00 0.00 H new ATOM 360 N ASP A 29 0.592 -13.184 9.747 1.00 0.00 N ATOM 361 CA ASP A 29 -0.612 -13.535 9.014 1.00 0.00 C ATOM 362 C ASP A 29 -1.830 -12.955 9.736 1.00 0.00 C ATOM 363 O ASP A 29 -2.841 -12.649 9.105 1.00 0.00 O ATOM 364 CB ASP A 29 -0.788 -15.054 8.938 1.00 0.00 C ATOM 365 CG ASP A 29 0.244 -15.781 8.075 1.00 0.00 C ATOM 366 OD1 ASP A 29 0.158 -15.778 6.838 1.00 0.00 O ATOM 367 OD2 ASP A 29 1.181 -16.378 8.731 1.00 0.00 O ATOM 0 H ASP A 29 0.710 -13.675 10.633 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.523 -13.131 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.746 -15.461 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.783 -15.271 8.548 1.00 0.00 H new ATOM 372 N TYR A 30 -1.693 -12.819 11.046 1.00 0.00 N ATOM 373 CA TYR A 30 -2.770 -12.280 11.859 1.00 0.00 C ATOM 374 C TYR A 30 -2.555 -10.792 12.138 1.00 0.00 C ATOM 375 O TYR A 30 -3.363 -10.159 12.816 1.00 0.00 O ATOM 376 CB TYR A 30 -2.725 -13.047 13.182 1.00 0.00 C ATOM 377 CG TYR A 30 -1.462 -13.891 13.369 1.00 0.00 C ATOM 378 CD1 TYR A 30 -0.334 -13.328 13.930 1.00 0.00 C ATOM 379 CD2 TYR A 30 -1.451 -15.213 12.976 1.00 0.00 C ATOM 380 CE1 TYR A 30 0.855 -14.122 14.106 1.00 0.00 C ATOM 381 CE2 TYR A 30 -0.263 -16.007 13.153 1.00 0.00 C ATOM 382 CZ TYR A 30 0.832 -15.422 13.708 1.00 0.00 C ATOM 383 OH TYR A 30 1.954 -16.172 13.874 1.00 0.00 O ATOM 0 H TYR A 30 -0.852 -13.073 11.565 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.726 -12.386 11.347 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.800 -12.336 14.005 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.597 -13.698 13.243 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.343 -12.293 14.237 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.334 -15.653 12.535 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.745 -13.694 14.544 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.242 -17.044 12.852 1.00 0.00 H new ATOM 0 HH TYR A 30 1.791 -17.081 13.546 1.00 0.00 H new ATOM 392 N HIS A 31 -1.459 -10.274 11.602 1.00 0.00 N ATOM 393 CA HIS A 31 -1.127 -8.872 11.785 1.00 0.00 C ATOM 394 C HIS A 31 -1.750 -8.045 10.659 1.00 0.00 C ATOM 395 O HIS A 31 -2.225 -8.598 9.668 1.00 0.00 O ATOM 396 CB HIS A 31 0.388 -8.682 11.891 1.00 0.00 C ATOM 397 CG HIS A 31 1.075 -9.700 12.771 1.00 0.00 C ATOM 398 ND1 HIS A 31 1.769 -9.353 13.918 1.00 0.00 N ATOM 399 CD2 HIS A 31 1.164 -11.057 12.662 1.00 0.00 C ATOM 400 CE1 HIS A 31 2.252 -10.459 14.465 1.00 0.00 C ATOM 401 NE2 HIS A 31 1.877 -11.513 13.684 1.00 0.00 N ATOM 0 H HIS A 31 -0.790 -10.801 11.041 1.00 0.00 H new ATOM 0 HA HIS A 31 -1.547 -8.515 12.726 1.00 0.00 H new ATOM 0 HB2 HIS A 31 0.821 -8.730 10.892 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.592 -7.684 12.279 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.728 -11.658 11.877 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.839 -10.516 15.370 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.107 -12.491 13.857 1.00 0.00 H new ATOM 408 N ALA A 32 -1.726 -6.734 10.847 1.00 0.00 N ATOM 409 CA ALA A 32 -2.283 -5.826 9.860 1.00 0.00 C ATOM 410 C ALA A 32 -1.171 -4.924 9.320 1.00 0.00 C ATOM 411 O ALA A 32 -0.207 -4.631 10.023 1.00 0.00 O ATOM 412 CB ALA A 32 -3.428 -5.028 10.488 1.00 0.00 C ATOM 0 H ALA A 32 -1.329 -6.279 11.669 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.697 -6.381 9.018 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.846 -4.347 9.747 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.204 -5.713 10.830 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.051 -4.455 11.335 1.00 0.00 H new ATOM 418 N ASP A 33 -1.345 -4.507 8.074 1.00 0.00 N ATOM 419 CA ASP A 33 -0.369 -3.644 7.431 1.00 0.00 C ATOM 420 C ASP A 33 -1.089 -2.681 6.485 1.00 0.00 C ATOM 421 O ASP A 33 -2.046 -3.065 5.812 1.00 0.00 O ATOM 422 CB ASP A 33 0.628 -4.460 6.604 1.00 0.00 C ATOM 423 CG ASP A 33 0.120 -5.827 6.144 1.00 0.00 C ATOM 424 OD1 ASP A 33 0.574 -6.873 6.630 1.00 0.00 O ATOM 425 OD2 ASP A 33 -0.793 -5.791 5.233 1.00 0.00 O ATOM 0 H ASP A 33 -2.147 -4.751 7.493 1.00 0.00 H new ATOM 0 HA ASP A 33 0.166 -3.102 8.211 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.909 -3.879 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.533 -4.605 7.194 1.00 0.00 H new ATOM 430 N PHE A 34 -0.604 -1.449 6.463 1.00 0.00 N ATOM 431 CA PHE A 34 -1.191 -0.427 5.612 1.00 0.00 C ATOM 432 C PHE A 34 -0.514 -0.402 4.241 1.00 0.00 C ATOM 433 O PHE A 34 0.404 -1.181 3.983 1.00 0.00 O ATOM 434 CB PHE A 34 -0.964 0.918 6.305 1.00 0.00 C ATOM 435 CG PHE A 34 0.392 1.037 7.003 1.00 0.00 C ATOM 436 CD1 PHE A 34 1.512 0.552 6.401 1.00 0.00 C ATOM 437 CD2 PHE A 34 0.479 1.629 8.224 1.00 0.00 C ATOM 438 CE1 PHE A 34 2.771 0.663 7.049 1.00 0.00 C ATOM 439 CE2 PHE A 34 1.738 1.740 8.872 1.00 0.00 C ATOM 440 CZ PHE A 34 2.857 1.254 8.270 1.00 0.00 C ATOM 0 H PHE A 34 0.190 -1.134 7.021 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.251 -0.632 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.052 1.715 5.567 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.754 1.075 7.039 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.444 0.083 5.431 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.410 2.015 8.701 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.660 0.278 6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.807 2.210 9.842 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.814 1.338 8.763 1.00 0.00 H new ATOM 449 N LEU A 35 -0.990 0.501 3.397 1.00 0.00 N ATOM 450 CA LEU A 35 -0.442 0.638 2.058 1.00 0.00 C ATOM 451 C LEU A 35 1.080 0.765 2.145 1.00 0.00 C ATOM 452 O LEU A 35 1.785 0.512 1.170 1.00 0.00 O ATOM 453 CB LEU A 35 -1.115 1.797 1.319 1.00 0.00 C ATOM 454 CG LEU A 35 -1.461 3.022 2.169 1.00 0.00 C ATOM 455 CD1 LEU A 35 -0.242 3.508 2.953 1.00 0.00 C ATOM 456 CD2 LEU A 35 -2.068 4.132 1.308 1.00 0.00 C ATOM 0 H LEU A 35 -1.750 1.146 3.614 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.655 -0.253 1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.459 2.115 0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.032 1.426 0.861 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.216 2.729 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.516 4.379 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.107 2.713 3.612 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.553 3.779 2.258 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.305 4.991 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.353 4.429 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.979 3.767 0.833 1.00 0.00 H new ATOM 467 N GLY A 36 1.542 1.157 3.324 1.00 0.00 N ATOM 468 CA GLY A 36 2.968 1.322 3.552 1.00 0.00 C ATOM 469 C GLY A 36 3.704 -0.012 3.403 1.00 0.00 C ATOM 470 O GLY A 36 4.933 -0.050 3.403 1.00 0.00 O ATOM 0 H GLY A 36 0.954 1.365 4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.372 2.046 2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.136 1.725 4.551 1.00 0.00 H new ATOM 474 N GLU A 37 2.920 -1.073 3.278 1.00 0.00 N ATOM 475 CA GLU A 37 3.482 -2.404 3.129 1.00 0.00 C ATOM 476 C GLU A 37 4.491 -2.683 4.245 1.00 0.00 C ATOM 477 O GLU A 37 5.652 -2.984 3.976 1.00 0.00 O ATOM 478 CB GLU A 37 4.127 -2.577 1.752 1.00 0.00 C ATOM 479 CG GLU A 37 3.065 -2.619 0.651 1.00 0.00 C ATOM 480 CD GLU A 37 2.235 -3.901 0.740 1.00 0.00 C ATOM 481 OE1 GLU A 37 1.394 -4.033 1.641 1.00 0.00 O ATOM 482 OE2 GLU A 37 2.487 -4.779 -0.171 1.00 0.00 O ATOM 0 H GLU A 37 1.901 -1.038 3.277 1.00 0.00 H new ATOM 0 HA GLU A 37 2.672 -3.129 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.818 -1.755 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.712 -3.496 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.411 -1.751 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.546 -2.559 -0.326 1.00 0.00 H new ATOM 488 N ASP A 38 4.009 -2.575 5.475 1.00 0.00 N ATOM 489 CA ASP A 38 4.854 -2.812 6.633 1.00 0.00 C ATOM 490 C ASP A 38 3.998 -3.348 7.782 1.00 0.00 C ATOM 491 O ASP A 38 2.820 -3.008 7.894 1.00 0.00 O ATOM 492 CB ASP A 38 5.519 -1.517 7.103 1.00 0.00 C ATOM 493 CG ASP A 38 5.060 -1.015 8.473 1.00 0.00 C ATOM 494 OD1 ASP A 38 3.858 -0.996 8.777 1.00 0.00 O ATOM 495 OD2 ASP A 38 6.008 -0.625 9.257 1.00 0.00 O ATOM 0 H ASP A 38 3.044 -2.327 5.694 1.00 0.00 H new ATOM 0 HA ASP A 38 5.623 -3.530 6.348 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.598 -1.670 7.132 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.327 -0.739 6.364 1.00 0.00 H new ATOM 500 N LEU A 39 4.622 -4.176 8.607 1.00 0.00 N ATOM 501 CA LEU A 39 3.931 -4.762 9.743 1.00 0.00 C ATOM 502 C LEU A 39 4.440 -4.114 11.033 1.00 0.00 C ATOM 503 O LEU A 39 5.629 -4.186 11.341 1.00 0.00 O ATOM 504 CB LEU A 39 4.068 -6.286 9.725 1.00 0.00 C ATOM 505 CG LEU A 39 2.815 -7.076 10.109 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.835 -7.153 8.936 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.183 -8.463 10.642 1.00 0.00 C ATOM 0 H LEU A 39 5.598 -4.455 8.511 1.00 0.00 H new ATOM 0 HA LEU A 39 2.861 -4.560 9.684 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.374 -6.592 8.724 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.873 -6.567 10.404 1.00 0.00 H new ATOM 0 HG LEU A 39 2.310 -6.545 10.916 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.953 -7.720 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.537 -6.146 8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.316 -7.648 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.274 -9.004 10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.723 -9.016 9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.814 -8.358 11.525 1.00 0.00 H new ATOM 518 N PHE A 40 3.514 -3.495 11.751 1.00 0.00 N ATOM 519 CA PHE A 40 3.854 -2.835 13.000 1.00 0.00 C ATOM 520 C PHE A 40 3.394 -3.664 14.201 1.00 0.00 C ATOM 521 O PHE A 40 3.917 -3.508 15.304 1.00 0.00 O ATOM 522 CB PHE A 40 3.119 -1.494 13.011 1.00 0.00 C ATOM 523 CG PHE A 40 1.604 -1.612 12.834 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.813 -1.887 13.905 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.048 -1.442 11.604 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.593 -1.996 13.741 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.358 -1.552 11.439 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.148 -1.827 12.511 1.00 0.00 C ATOM 0 H PHE A 40 2.529 -3.437 11.492 1.00 0.00 H new ATOM 0 HA PHE A 40 4.934 -2.708 13.072 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.326 -0.986 13.953 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.519 -0.866 12.215 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.255 -2.023 14.881 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.676 -1.223 10.753 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.221 -2.213 14.592 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.800 -1.417 10.463 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.217 -1.911 12.386 1.00 0.00 H new ATOM 537 N PHE A 41 2.423 -4.529 13.947 1.00 0.00 N ATOM 538 CA PHE A 41 1.888 -5.383 14.993 1.00 0.00 C ATOM 539 C PHE A 41 2.838 -6.543 15.294 1.00 0.00 C ATOM 540 O PHE A 41 2.559 -7.369 16.161 1.00 0.00 O ATOM 541 CB PHE A 41 0.562 -5.945 14.477 1.00 0.00 C ATOM 542 CG PHE A 41 -0.675 -5.260 15.061 1.00 0.00 C ATOM 543 CD1 PHE A 41 -0.751 -5.017 16.396 1.00 0.00 C ATOM 544 CD2 PHE A 41 -1.699 -4.893 14.244 1.00 0.00 C ATOM 545 CE1 PHE A 41 -1.899 -4.380 16.938 1.00 0.00 C ATOM 546 CE2 PHE A 41 -2.847 -4.257 14.785 1.00 0.00 C ATOM 547 CZ PHE A 41 -2.922 -4.013 16.121 1.00 0.00 C ATOM 0 H PHE A 41 1.993 -4.657 13.031 1.00 0.00 H new ATOM 0 HA PHE A 41 1.757 -4.809 15.911 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.538 -5.851 13.391 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.517 -7.010 14.706 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.062 -5.308 17.045 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.638 -5.086 13.183 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.959 -4.187 17.999 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.660 -3.967 14.136 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.794 -3.528 16.533 1.00 0.00 H new ATOM 556 N CYS A 42 3.941 -6.568 14.560 1.00 0.00 N ATOM 557 CA CYS A 42 4.934 -7.613 14.738 1.00 0.00 C ATOM 558 C CYS A 42 6.011 -7.096 15.694 1.00 0.00 C ATOM 559 O CYS A 42 6.248 -7.687 16.747 1.00 0.00 O ATOM 560 CB CYS A 42 5.527 -8.063 13.402 1.00 0.00 C ATOM 561 SG CYS A 42 7.147 -8.869 13.674 1.00 0.00 S ATOM 0 H CYS A 42 4.169 -5.881 13.841 1.00 0.00 H new ATOM 0 HA CYS A 42 4.462 -8.496 15.168 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.846 -8.756 12.908 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.645 -7.205 12.740 1.00 0.00 H new ATOM 0 HG CYS A 42 8.029 -8.351 12.872 1.00 0.00 H new ATOM 566 N CYS A 43 6.634 -5.997 15.294 1.00 0.00 N ATOM 567 CA CYS A 43 7.680 -5.393 16.102 1.00 0.00 C ATOM 568 C CYS A 43 7.118 -4.124 16.745 1.00 0.00 C ATOM 569 O CYS A 43 7.106 -3.997 17.969 1.00 0.00 O ATOM 570 CB CYS A 43 8.937 -5.107 15.278 1.00 0.00 C ATOM 571 SG CYS A 43 10.430 -5.349 16.309 1.00 0.00 S ATOM 0 H CYS A 43 6.434 -5.509 14.421 1.00 0.00 H new ATOM 0 HA CYS A 43 7.988 -6.089 16.883 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.972 -5.768 14.412 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.909 -4.086 14.899 1.00 0.00 H new ATOM 0 HG CYS A 43 10.095 -5.907 17.434 1.00 0.00 H new ATOM 576 N ASP A 44 6.665 -3.217 15.892 1.00 0.00 N ATOM 577 CA ASP A 44 6.103 -1.963 16.362 1.00 0.00 C ATOM 578 C ASP A 44 7.226 -1.081 16.914 1.00 0.00 C ATOM 579 O ASP A 44 6.964 -0.104 17.614 1.00 0.00 O ATOM 580 CB ASP A 44 5.092 -2.199 17.486 1.00 0.00 C ATOM 581 CG ASP A 44 3.827 -1.341 17.409 1.00 0.00 C ATOM 582 OD1 ASP A 44 3.535 -0.727 16.373 1.00 0.00 O ATOM 583 OD2 ASP A 44 3.117 -1.318 18.486 1.00 0.00 O ATOM 0 H ASP A 44 6.676 -3.326 14.878 1.00 0.00 H new ATOM 0 HA ASP A 44 5.602 -1.482 15.522 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.801 -3.250 17.478 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.583 -2.011 18.441 1.00 0.00 H new ATOM 588 N ILE A 45 8.449 -1.457 16.576 1.00 0.00 N ATOM 589 CA ILE A 45 9.612 -0.713 17.029 1.00 0.00 C ATOM 590 C ILE A 45 10.156 0.129 15.872 1.00 0.00 C ATOM 591 O ILE A 45 10.174 1.356 15.948 1.00 0.00 O ATOM 592 CB ILE A 45 10.648 -1.657 17.642 1.00 0.00 C ATOM 593 CG1 ILE A 45 10.099 -2.330 18.902 1.00 0.00 C ATOM 594 CG2 ILE A 45 11.965 -0.926 17.911 1.00 0.00 C ATOM 595 CD1 ILE A 45 10.646 -3.752 19.046 1.00 0.00 C ATOM 0 H ILE A 45 8.661 -2.267 15.994 1.00 0.00 H new ATOM 0 HA ILE A 45 9.335 -0.022 17.825 1.00 0.00 H new ATOM 0 HB ILE A 45 10.859 -2.446 16.921 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.368 -1.742 19.779 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.010 -2.358 18.859 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.684 -1.620 18.347 1.00 0.00 H new ATOM 0 HG22 ILE A 45 12.361 -0.534 16.974 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.789 -0.103 18.604 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.241 -4.208 19.949 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.354 -4.344 18.178 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.733 -3.718 19.113 1.00 0.00 H new ATOM 606 N CYS A 46 10.585 -0.566 14.828 1.00 0.00 N ATOM 607 CA CYS A 46 11.128 0.102 13.658 1.00 0.00 C ATOM 608 C CYS A 46 10.013 0.231 12.619 1.00 0.00 C ATOM 609 O CYS A 46 10.169 0.931 11.618 1.00 0.00 O ATOM 610 CB CYS A 46 12.347 -0.636 13.099 1.00 0.00 C ATOM 611 SG CYS A 46 11.843 -2.270 12.446 1.00 0.00 S ATOM 0 H CYS A 46 10.567 -1.584 14.769 1.00 0.00 H new ATOM 0 HA CYS A 46 11.483 1.095 13.935 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.809 -0.045 12.308 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.096 -0.763 13.881 1.00 0.00 H new ATOM 0 HG CYS A 46 12.884 -2.888 11.972 1.00 0.00 H new ATOM 616 N ALA A 47 8.912 -0.455 12.890 1.00 0.00 N ATOM 617 CA ALA A 47 7.772 -0.426 11.991 1.00 0.00 C ATOM 618 C ALA A 47 6.720 0.541 12.539 1.00 0.00 C ATOM 619 O ALA A 47 6.826 1.001 13.675 1.00 0.00 O ATOM 620 CB ALA A 47 7.224 -1.844 11.814 1.00 0.00 C ATOM 0 H ALA A 47 8.786 -1.034 13.720 1.00 0.00 H new ATOM 0 HA ALA A 47 8.070 -0.066 11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.368 -1.822 11.139 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.000 -2.484 11.395 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.913 -2.237 12.782 1.00 0.00 H new ATOM 626 N ALA A 48 5.728 0.821 11.707 1.00 0.00 N ATOM 627 CA ALA A 48 4.658 1.725 12.094 1.00 0.00 C ATOM 628 C ALA A 48 5.205 3.151 12.174 1.00 0.00 C ATOM 629 O ALA A 48 5.239 3.747 13.249 1.00 0.00 O ATOM 630 CB ALA A 48 4.049 1.257 13.417 1.00 0.00 C ATOM 0 H ALA A 48 5.642 0.438 10.766 1.00 0.00 H new ATOM 0 HA ALA A 48 3.862 1.720 11.349 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.246 1.935 13.708 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.649 0.250 13.297 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.818 1.252 14.190 1.00 0.00 H new ATOM 636 N GLU A 49 5.620 3.657 11.022 1.00 0.00 N ATOM 637 CA GLU A 49 6.164 5.002 10.948 1.00 0.00 C ATOM 638 C GLU A 49 5.033 6.025 10.819 1.00 0.00 C ATOM 639 O GLU A 49 3.987 5.730 10.245 1.00 0.00 O ATOM 640 CB GLU A 49 7.155 5.130 9.789 1.00 0.00 C ATOM 641 CG GLU A 49 8.118 6.297 10.018 1.00 0.00 C ATOM 642 CD GLU A 49 8.799 6.186 11.383 1.00 0.00 C ATOM 643 OE1 GLU A 49 8.415 6.891 12.327 1.00 0.00 O ATOM 644 OE2 GLU A 49 9.761 5.327 11.443 1.00 0.00 O ATOM 0 H GLU A 49 5.590 3.159 10.132 1.00 0.00 H new ATOM 0 HA GLU A 49 6.708 5.205 11.871 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.719 4.203 9.684 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.612 5.280 8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.872 6.310 9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.574 7.240 9.954 1.00 0.00 H new ATOM 650 N PHE A 50 5.284 7.207 11.362 1.00 0.00 N ATOM 651 CA PHE A 50 4.300 8.276 11.314 1.00 0.00 C ATOM 652 C PHE A 50 4.228 8.895 9.917 1.00 0.00 C ATOM 653 O PHE A 50 3.433 9.801 9.674 1.00 0.00 O ATOM 654 CB PHE A 50 4.753 9.346 12.310 1.00 0.00 C ATOM 655 CG PHE A 50 3.687 10.397 12.622 1.00 0.00 C ATOM 656 CD1 PHE A 50 2.421 10.011 12.934 1.00 0.00 C ATOM 657 CD2 PHE A 50 4.005 11.720 12.587 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.431 10.986 13.224 1.00 0.00 C ATOM 659 CE2 PHE A 50 3.015 12.696 12.876 1.00 0.00 C ATOM 660 CZ PHE A 50 1.750 12.309 13.189 1.00 0.00 C ATOM 0 H PHE A 50 6.154 7.448 11.837 1.00 0.00 H new ATOM 0 HA PHE A 50 3.313 7.883 11.559 1.00 0.00 H new ATOM 0 HB2 PHE A 50 5.052 8.860 13.239 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.636 9.846 11.913 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.168 8.961 12.961 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.010 12.027 12.339 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.426 10.679 13.472 1.00 0.00 H new ATOM 0 HE2 PHE A 50 3.267 13.746 12.847 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.998 13.052 13.410 1.00 0.00 H new ATOM 669 N MET A 51 5.070 8.379 9.033 1.00 0.00 N ATOM 670 CA MET A 51 5.113 8.869 7.666 1.00 0.00 C ATOM 671 C MET A 51 3.790 8.601 6.946 1.00 0.00 C ATOM 672 O MET A 51 3.395 9.359 6.062 1.00 0.00 O ATOM 673 CB MET A 51 6.253 8.181 6.912 1.00 0.00 C ATOM 674 CG MET A 51 7.357 9.180 6.559 1.00 0.00 C ATOM 675 SD MET A 51 8.889 8.697 7.335 1.00 0.00 S ATOM 676 CE MET A 51 9.362 7.343 6.273 1.00 0.00 C ATOM 0 H MET A 51 5.728 7.627 9.237 1.00 0.00 H new ATOM 0 HA MET A 51 5.280 9.946 7.691 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.666 7.378 7.523 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.867 7.723 6.001 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.486 9.225 5.478 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.073 10.180 6.888 1.00 0.00 H new ATOM 0 HE1 MET A 51 10.306 6.922 6.619 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.591 6.573 6.299 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.478 7.705 5.252 1.00 0.00 H new ATOM 684 N ASN A 52 3.143 7.518 7.350 1.00 0.00 N ATOM 685 CA ASN A 52 1.872 7.139 6.754 1.00 0.00 C ATOM 686 C ASN A 52 0.738 7.479 7.724 1.00 0.00 C ATOM 687 O ASN A 52 0.964 7.623 8.924 1.00 0.00 O ATOM 688 CB ASN A 52 1.821 5.636 6.475 1.00 0.00 C ATOM 689 CG ASN A 52 2.909 5.225 5.481 1.00 0.00 C ATOM 690 OD1 ASN A 52 3.985 4.782 5.847 1.00 0.00 O ATOM 691 ND2 ASN A 52 2.569 5.397 4.207 1.00 0.00 N ATOM 0 H ASN A 52 3.474 6.891 8.083 1.00 0.00 H new ATOM 0 HA ASN A 52 1.763 7.683 5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.948 5.085 7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.841 5.369 6.078 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.226 5.153 3.466 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.651 5.773 3.970 1.00 0.00 H new ATOM 697 N MET A 53 -0.458 7.598 7.167 1.00 0.00 N ATOM 698 CA MET A 53 -1.628 7.917 7.967 1.00 0.00 C ATOM 699 C MET A 53 -2.273 6.648 8.527 1.00 0.00 C ATOM 700 O MET A 53 -1.997 5.546 8.054 1.00 0.00 O ATOM 701 CB MET A 53 -2.645 8.670 7.106 1.00 0.00 C ATOM 702 CG MET A 53 -2.703 10.149 7.492 1.00 0.00 C ATOM 703 SD MET A 53 -1.162 10.950 7.074 1.00 0.00 S ATOM 704 CE MET A 53 -0.600 11.408 8.704 1.00 0.00 C ATOM 0 H MET A 53 -0.642 7.479 6.171 1.00 0.00 H new ATOM 0 HA MET A 53 -1.314 8.541 8.804 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.377 8.576 6.054 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.631 8.221 7.225 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.528 10.637 6.973 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.895 10.247 8.560 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.487 11.486 8.705 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.033 12.369 8.982 1.00 0.00 H new ATOM 0 HE3 MET A 53 -0.910 10.649 9.422 1.00 0.00 H new ATOM 712 N MET A 54 -3.120 6.845 9.527 1.00 0.00 N ATOM 713 CA MET A 54 -3.806 5.730 10.157 1.00 0.00 C ATOM 714 C MET A 54 -4.759 5.047 9.174 1.00 0.00 C ATOM 715 O MET A 54 -4.757 3.823 9.051 1.00 0.00 O ATOM 716 CB MET A 54 -4.596 6.234 11.366 1.00 0.00 C ATOM 717 CG MET A 54 -4.852 5.103 12.364 1.00 0.00 C ATOM 718 SD MET A 54 -6.595 4.997 12.733 1.00 0.00 S ATOM 719 CE MET A 54 -6.560 5.313 14.489 1.00 0.00 C ATOM 0 H MET A 54 -3.347 7.760 9.916 1.00 0.00 H new ATOM 0 HA MET A 54 -3.060 5.002 10.477 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.046 7.038 11.855 1.00 0.00 H new ATOM 0 HB3 MET A 54 -5.546 6.654 11.035 1.00 0.00 H new ATOM 0 HG2 MET A 54 -4.501 4.157 11.952 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.288 5.280 13.280 1.00 0.00 H new ATOM 0 HE1 MET A 54 -7.575 5.283 14.884 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.956 4.553 14.984 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.128 6.296 14.673 1.00 0.00 H new ATOM 727 N ASP A 55 -5.550 5.867 8.500 1.00 0.00 N ATOM 728 CA ASP A 55 -6.506 5.358 7.531 1.00 0.00 C ATOM 729 C ASP A 55 -5.826 4.302 6.657 1.00 0.00 C ATOM 730 O ASP A 55 -6.456 3.325 6.254 1.00 0.00 O ATOM 731 CB ASP A 55 -7.013 6.474 6.616 1.00 0.00 C ATOM 732 CG ASP A 55 -8.464 6.898 6.854 1.00 0.00 C ATOM 733 OD1 ASP A 55 -9.225 7.133 5.904 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.810 6.983 8.095 1.00 0.00 O ATOM 0 H ASP A 55 -5.549 6.882 8.605 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.347 4.933 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.371 7.346 6.741 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -6.911 6.149 5.581 1.00 0.00 H new ATOM 739 N GLU A 56 -4.550 4.535 6.389 1.00 0.00 N ATOM 740 CA GLU A 56 -3.778 3.616 5.570 1.00 0.00 C ATOM 741 C GLU A 56 -3.997 2.175 6.037 1.00 0.00 C ATOM 742 O GLU A 56 -4.312 1.300 5.233 1.00 0.00 O ATOM 743 CB GLU A 56 -2.291 3.979 5.591 1.00 0.00 C ATOM 744 CG GLU A 56 -2.091 5.484 5.396 1.00 0.00 C ATOM 745 CD GLU A 56 -2.480 5.909 3.979 1.00 0.00 C ATOM 746 OE1 GLU A 56 -1.664 6.511 3.266 1.00 0.00 O ATOM 747 OE2 GLU A 56 -3.679 5.592 3.624 1.00 0.00 O ATOM 0 H GLU A 56 -4.031 5.347 6.724 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.125 3.700 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.851 3.670 6.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.769 3.434 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.692 6.032 6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.049 5.744 5.584 1.00 0.00 H new ATOM 753 N ALA A 57 -3.821 1.975 7.334 1.00 0.00 N ATOM 754 CA ALA A 57 -3.995 0.655 7.918 1.00 0.00 C ATOM 755 C ALA A 57 -5.459 0.232 7.781 1.00 0.00 C ATOM 756 O ALA A 57 -5.751 -0.934 7.519 1.00 0.00 O ATOM 757 CB ALA A 57 -3.528 0.675 9.374 1.00 0.00 C ATOM 0 H ALA A 57 -3.560 2.704 7.998 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.388 -0.081 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.659 -0.315 9.812 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.475 0.954 9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.117 1.400 9.935 1.00 0.00 H new ATOM 763 N PHE A 58 -6.343 1.202 7.965 1.00 0.00 N ATOM 764 CA PHE A 58 -7.769 0.945 7.866 1.00 0.00 C ATOM 765 C PHE A 58 -8.088 0.091 6.636 1.00 0.00 C ATOM 766 O PHE A 58 -8.941 -0.792 6.694 1.00 0.00 O ATOM 767 CB PHE A 58 -8.460 2.303 7.722 1.00 0.00 C ATOM 768 CG PHE A 58 -9.888 2.335 8.269 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.805 1.431 7.830 1.00 0.00 C ATOM 770 CD2 PHE A 58 -10.241 3.266 9.195 1.00 0.00 C ATOM 771 CE1 PHE A 58 -12.131 1.461 8.337 1.00 0.00 C ATOM 772 CE2 PHE A 58 -11.567 3.296 9.702 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.484 2.393 9.262 1.00 0.00 C ATOM 0 H PHE A 58 -6.098 2.168 8.182 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.112 0.406 8.749 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -7.867 3.058 8.239 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -8.479 2.579 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.524 0.690 7.096 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.513 3.983 9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -12.859 0.744 7.988 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -11.847 4.036 10.437 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.493 2.416 9.647 1.00 0.00 H new ATOM 782 N LYS A 59 -7.385 0.386 5.552 1.00 0.00 N ATOM 783 CA LYS A 59 -7.582 -0.344 4.312 1.00 0.00 C ATOM 784 C LYS A 59 -7.421 -1.842 4.574 1.00 0.00 C ATOM 785 O LYS A 59 -8.106 -2.660 3.964 1.00 0.00 O ATOM 786 CB LYS A 59 -6.653 0.193 3.222 1.00 0.00 C ATOM 787 CG LYS A 59 -5.236 -0.360 3.387 1.00 0.00 C ATOM 788 CD LYS A 59 -4.979 -1.509 2.409 1.00 0.00 C ATOM 789 CE LYS A 59 -4.272 -1.009 1.149 1.00 0.00 C ATOM 790 NZ LYS A 59 -4.876 -1.616 -0.059 1.00 0.00 N ATOM 0 H LYS A 59 -6.679 1.120 5.507 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.595 -0.194 3.939 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.042 -0.080 2.241 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.629 1.282 3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.510 0.435 3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.095 -0.710 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.371 -2.273 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.925 -1.979 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.343 0.077 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.212 -1.257 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.373 -1.279 -0.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.802 -2.652 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.878 -1.344 -0.120 1.00 0.00 H new ATOM 799 N HIS A 60 -6.510 -2.156 5.484 1.00 0.00 N ATOM 800 CA HIS A 60 -6.249 -3.541 5.835 1.00 0.00 C ATOM 801 C HIS A 60 -7.540 -4.197 6.328 1.00 0.00 C ATOM 802 O HIS A 60 -7.876 -5.306 5.913 1.00 0.00 O ATOM 803 CB HIS A 60 -5.110 -3.639 6.852 1.00 0.00 C ATOM 804 CG HIS A 60 -5.572 -3.730 8.286 1.00 0.00 C ATOM 805 ND1 HIS A 60 -6.316 -4.793 8.768 1.00 0.00 N ATOM 806 CD2 HIS A 60 -5.386 -2.882 9.337 1.00 0.00 C ATOM 807 CE1 HIS A 60 -6.563 -4.581 10.052 1.00 0.00 C ATOM 808 NE2 HIS A 60 -5.986 -3.397 10.403 1.00 0.00 N ATOM 0 H HIS A 60 -5.944 -1.474 5.989 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.918 -4.087 4.952 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.504 -4.515 6.620 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -4.464 -2.767 6.744 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.843 -1.949 9.307 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -7.123 -5.232 10.706 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -6.011 -2.976 11.332 1.00 0.00 H new ATOM 815 N THR A 61 -8.230 -3.484 7.206 1.00 0.00 N ATOM 816 CA THR A 61 -9.478 -3.984 7.760 1.00 0.00 C ATOM 817 C THR A 61 -10.433 -4.395 6.638 1.00 0.00 C ATOM 818 O THR A 61 -11.066 -5.447 6.711 1.00 0.00 O ATOM 819 CB THR A 61 -10.051 -2.905 8.681 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.142 -2.866 9.777 1.00 0.00 O ATOM 821 CG2 THR A 61 -11.381 -3.322 9.314 1.00 0.00 C ATOM 0 H THR A 61 -7.949 -2.565 7.548 1.00 0.00 H new ATOM 0 HA THR A 61 -9.316 -4.885 8.352 1.00 0.00 H new ATOM 0 HB THR A 61 -10.191 -1.983 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 61 -9.437 -2.191 10.423 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.744 -2.521 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.112 -3.517 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 61 -11.235 -4.226 9.906 1.00 0.00 H new ATOM 829 N ALA A 62 -10.506 -3.544 5.625 1.00 0.00 N ATOM 830 CA ALA A 62 -11.373 -3.806 4.489 1.00 0.00 C ATOM 831 C ALA A 62 -10.712 -4.841 3.576 1.00 0.00 C ATOM 832 O ALA A 62 -11.397 -5.653 2.955 1.00 0.00 O ATOM 833 CB ALA A 62 -11.672 -2.493 3.761 1.00 0.00 C ATOM 0 H ALA A 62 -9.979 -2.673 5.567 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.325 -4.219 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -12.322 -2.689 2.909 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -12.167 -1.803 4.444 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.739 -2.050 3.411 1.00 0.00 H new ATOM 839 N ARG A 63 -9.390 -4.780 3.525 1.00 0.00 N ATOM 840 CA ARG A 63 -8.630 -5.702 2.699 1.00 0.00 C ATOM 841 C ARG A 63 -8.695 -7.115 3.284 1.00 0.00 C ATOM 842 O ARG A 63 -8.106 -8.045 2.735 1.00 0.00 O ATOM 843 CB ARG A 63 -7.167 -5.268 2.593 1.00 0.00 C ATOM 844 CG ARG A 63 -6.394 -6.176 1.634 1.00 0.00 C ATOM 845 CD ARG A 63 -5.324 -6.977 2.379 1.00 0.00 C ATOM 846 NE ARG A 63 -3.976 -6.528 1.965 1.00 0.00 N ATOM 847 CZ ARG A 63 -2.872 -7.304 2.017 1.00 0.00 C ATOM 848 NH1 ARG A 63 -2.946 -8.573 2.468 1.00 0.00 N ATOM 849 NH2 ARG A 63 -1.717 -6.800 1.623 1.00 0.00 N ATOM 0 H ARG A 63 -8.826 -4.106 4.042 1.00 0.00 H new ATOM 0 HA ARG A 63 -9.072 -5.697 1.703 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.114 -4.236 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.703 -5.296 3.579 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.084 -6.858 1.138 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.926 -5.574 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.445 -6.848 3.455 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.442 -8.040 2.170 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.875 -5.574 1.619 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.841 -8.954 2.774 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.107 -9.151 2.504 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.669 -5.838 1.286 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.873 -7.372 1.656 1.00 0.00 H new ATOM 859 N HIS A 64 -9.417 -7.231 4.389 1.00 0.00 N ATOM 860 CA HIS A 64 -9.566 -8.515 5.053 1.00 0.00 C ATOM 861 C HIS A 64 -10.598 -9.362 4.306 1.00 0.00 C ATOM 862 O HIS A 64 -10.300 -10.475 3.877 1.00 0.00 O ATOM 863 CB HIS A 64 -9.914 -8.325 6.531 1.00 0.00 C ATOM 864 CG HIS A 64 -9.026 -9.101 7.475 1.00 0.00 C ATOM 865 ND1 HIS A 64 -8.939 -8.816 8.827 1.00 0.00 N ATOM 866 CD2 HIS A 64 -8.190 -10.154 7.249 1.00 0.00 C ATOM 867 CE1 HIS A 64 -8.084 -9.665 9.379 1.00 0.00 C ATOM 868 NE2 HIS A 64 -7.621 -10.494 8.399 1.00 0.00 N ATOM 0 H HIS A 64 -9.905 -6.458 4.841 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.618 -9.053 5.029 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -9.849 -7.265 6.776 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -10.949 -8.626 6.692 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.019 -10.631 6.295 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.803 -9.695 10.421 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -6.949 -11.250 8.529 1.00 0.00 H new ATOM 875 N ASN A 65 -11.792 -8.802 4.174 1.00 0.00 N ATOM 876 CA ASN A 65 -12.871 -9.493 3.487 1.00 0.00 C ATOM 877 C ASN A 65 -13.239 -8.719 2.220 1.00 0.00 C ATOM 878 O ASN A 65 -13.386 -9.307 1.149 1.00 0.00 O ATOM 879 CB ASN A 65 -14.119 -9.581 4.367 1.00 0.00 C ATOM 880 CG ASN A 65 -13.923 -8.807 5.674 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.232 -7.632 5.782 1.00 0.00 O ATOM 882 ND2 ASN A 65 -13.393 -9.531 6.656 1.00 0.00 N ATOM 0 H ASN A 65 -12.036 -7.878 4.531 1.00 0.00 H new ATOM 0 HA ASN A 65 -12.528 -10.500 3.248 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -14.978 -9.181 3.828 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.340 -10.625 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -13.222 -9.106 7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.158 -10.511 6.497 1.00 0.00 H new ATOM 888 N VAL A 66 -13.379 -7.411 2.382 1.00 0.00 N ATOM 889 CA VAL A 66 -13.727 -6.551 1.265 1.00 0.00 C ATOM 890 C VAL A 66 -12.451 -5.966 0.659 1.00 0.00 C ATOM 891 O VAL A 66 -11.382 -6.569 0.752 1.00 0.00 O ATOM 892 CB VAL A 66 -14.719 -5.477 1.721 1.00 0.00 C ATOM 893 CG1 VAL A 66 -15.706 -5.133 0.603 1.00 0.00 C ATOM 894 CG2 VAL A 66 -15.456 -5.915 2.988 1.00 0.00 C ATOM 0 H VAL A 66 -13.257 -6.926 3.271 1.00 0.00 H new ATOM 0 HA VAL A 66 -14.224 -7.124 0.483 1.00 0.00 H new ATOM 0 HB VAL A 66 -14.153 -4.576 1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.399 -4.368 0.952 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -15.159 -4.759 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -16.263 -6.027 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -16.154 -5.135 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -16.004 -6.836 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -14.735 -6.087 3.787 1.00 0.00 H new ATOM 904 N ASP A 67 -12.603 -4.798 0.051 1.00 0.00 N ATOM 905 CA ASP A 67 -11.474 -4.126 -0.570 1.00 0.00 C ATOM 906 C ASP A 67 -11.589 -2.619 -0.330 1.00 0.00 C ATOM 907 O ASP A 67 -12.680 -2.056 -0.406 1.00 0.00 O ATOM 908 CB ASP A 67 -11.456 -4.363 -2.081 1.00 0.00 C ATOM 909 CG ASP A 67 -12.751 -4.936 -2.662 1.00 0.00 C ATOM 910 OD1 ASP A 67 -13.787 -4.255 -2.707 1.00 0.00 O ATOM 911 OD2 ASP A 67 -12.667 -6.152 -3.085 1.00 0.00 O ATOM 0 H ASP A 67 -13.490 -4.300 -0.025 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.560 -4.526 -0.131 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -11.239 -3.418 -2.579 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.638 -5.043 -2.317 1.00 0.00 H new ATOM 916 N GLU A 68 -10.449 -2.010 -0.044 1.00 0.00 N ATOM 917 CA GLU A 68 -10.407 -0.579 0.209 1.00 0.00 C ATOM 918 C GLU A 68 -9.211 0.052 -0.507 1.00 0.00 C ATOM 919 O GLU A 68 -8.126 -0.527 -0.541 1.00 0.00 O ATOM 920 CB GLU A 68 -10.363 -0.288 1.710 1.00 0.00 C ATOM 921 CG GLU A 68 -11.711 0.238 2.207 1.00 0.00 C ATOM 922 CD GLU A 68 -11.698 1.764 2.315 1.00 0.00 C ATOM 923 OE1 GLU A 68 -11.995 2.313 3.387 1.00 0.00 O ATOM 924 OE2 GLU A 68 -11.364 2.384 1.234 1.00 0.00 O ATOM 0 H GLU A 68 -9.546 -2.481 0.018 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.319 -0.133 -0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.101 -1.196 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.583 0.444 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.501 -0.075 1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.939 -0.197 3.180 1.00 0.00 H new ATOM 930 N LEU A 69 -9.450 1.231 -1.063 1.00 0.00 N ATOM 931 CA LEU A 69 -8.405 1.947 -1.777 1.00 0.00 C ATOM 932 C LEU A 69 -8.424 3.418 -1.356 1.00 0.00 C ATOM 933 O LEU A 69 -9.475 4.057 -1.364 1.00 0.00 O ATOM 934 CB LEU A 69 -8.547 1.737 -3.285 1.00 0.00 C ATOM 935 CG LEU A 69 -9.879 1.151 -3.759 1.00 0.00 C ATOM 936 CD1 LEU A 69 -10.001 -0.322 -3.364 1.00 0.00 C ATOM 937 CD2 LEU A 69 -11.057 1.981 -3.246 1.00 0.00 C ATOM 0 H LEU A 69 -10.351 1.708 -1.034 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.423 1.552 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.398 2.696 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.744 1.078 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.904 1.196 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.956 -0.714 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.188 -0.889 -3.818 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.945 -0.414 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.991 1.543 -3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.048 1.991 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.972 3.002 -3.619 1.00 0.00 H new ATOM 948 N HIS A 70 -7.247 3.912 -0.999 1.00 0.00 N ATOM 949 CA HIS A 70 -7.114 5.297 -0.577 1.00 0.00 C ATOM 950 C HIS A 70 -5.767 5.848 -1.046 1.00 0.00 C ATOM 951 O HIS A 70 -4.754 5.152 -0.993 1.00 0.00 O ATOM 952 CB HIS A 70 -7.314 5.424 0.935 1.00 0.00 C ATOM 953 CG HIS A 70 -8.762 5.437 1.364 1.00 0.00 C ATOM 954 ND1 HIS A 70 -9.687 6.330 0.853 1.00 0.00 N ATOM 955 CD2 HIS A 70 -9.433 4.657 2.259 1.00 0.00 C ATOM 956 CE1 HIS A 70 -10.859 6.089 1.422 1.00 0.00 C ATOM 957 NE2 HIS A 70 -10.699 5.053 2.294 1.00 0.00 N ATOM 0 H HIS A 70 -6.378 3.379 -0.993 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.895 5.900 -1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.807 4.595 1.429 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.836 6.341 1.279 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -9.006 3.853 2.841 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.779 6.620 1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -11.432 4.649 2.877 1.00 0.00 H new ATOM 964 N ILE A 71 -5.798 7.096 -1.492 1.00 0.00 N ATOM 965 CA ILE A 71 -4.592 7.749 -1.970 1.00 0.00 C ATOM 966 C ILE A 71 -4.521 9.165 -1.394 1.00 0.00 C ATOM 967 O ILE A 71 -5.488 9.920 -1.475 1.00 0.00 O ATOM 968 CB ILE A 71 -4.526 7.704 -3.498 1.00 0.00 C ATOM 969 CG1 ILE A 71 -3.461 8.665 -4.030 1.00 0.00 C ATOM 970 CG2 ILE A 71 -5.901 7.973 -4.114 1.00 0.00 C ATOM 971 CD1 ILE A 71 -3.378 8.600 -5.556 1.00 0.00 C ATOM 0 H ILE A 71 -6.639 7.671 -1.532 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.708 7.216 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.230 6.699 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -3.696 9.683 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.492 8.415 -3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.826 7.935 -5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.607 7.216 -3.772 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.250 8.959 -3.808 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.614 9.292 -5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.119 7.587 -5.863 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -4.342 8.874 -5.985 1.00 0.00 H new ATOM 982 N ASP A 72 -3.368 9.481 -0.824 1.00 0.00 N ATOM 983 CA ASP A 72 -3.159 10.793 -0.235 1.00 0.00 C ATOM 984 C ASP A 72 -1.706 11.220 -0.451 1.00 0.00 C ATOM 985 O ASP A 72 -0.793 10.403 -0.339 1.00 0.00 O ATOM 986 CB ASP A 72 -3.424 10.768 1.272 1.00 0.00 C ATOM 987 CG ASP A 72 -4.902 10.752 1.668 1.00 0.00 C ATOM 988 OD1 ASP A 72 -5.370 9.830 2.355 1.00 0.00 O ATOM 989 OD2 ASP A 72 -5.593 11.752 1.237 1.00 0.00 O ATOM 0 H ASP A 72 -2.568 8.851 -0.757 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.848 11.490 -0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.940 9.888 1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.952 11.641 1.723 1.00 0.00 H new ATOM 994 N GLY A 73 -1.538 12.498 -0.758 1.00 0.00 N ATOM 995 CA GLY A 73 -0.211 13.043 -0.992 1.00 0.00 C ATOM 996 C GLY A 73 -0.034 14.382 -0.273 1.00 0.00 C ATOM 997 O GLY A 73 -0.874 15.273 -0.399 1.00 0.00 O ATOM 0 H GLY A 73 -2.298 13.172 -0.850 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.543 12.337 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.052 13.177 -2.062 1.00 0.00 H new ATOM 1001 N ASN A 74 1.063 14.483 0.462 1.00 0.00 N ATOM 1002 CA ASN A 74 1.361 15.698 1.200 1.00 0.00 C ATOM 1003 C ASN A 74 2.873 15.928 1.207 1.00 0.00 C ATOM 1004 O ASN A 74 3.646 14.993 1.416 1.00 0.00 O ATOM 1005 CB ASN A 74 0.892 15.589 2.652 1.00 0.00 C ATOM 1006 CG ASN A 74 0.065 16.813 3.055 1.00 0.00 C ATOM 1007 OD1 ASN A 74 -1.104 16.937 2.730 1.00 0.00 O ATOM 1008 ND2 ASN A 74 0.735 17.705 3.777 1.00 0.00 N ATOM 0 H ASN A 74 1.757 13.742 0.562 1.00 0.00 H new ATOM 0 HA ASN A 74 0.841 16.524 0.714 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.296 14.685 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.755 15.496 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.271 18.556 4.094 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.713 17.538 4.014 1.00 0.00 H new ATOM 1014 N TYR A 75 3.251 17.177 0.977 1.00 0.00 N ATOM 1015 CA TYR A 75 4.657 17.541 0.955 1.00 0.00 C ATOM 1016 C TYR A 75 5.306 17.313 2.322 1.00 0.00 C ATOM 1017 O TYR A 75 6.528 17.356 2.448 1.00 0.00 O ATOM 1018 CB TYR A 75 4.701 19.035 0.626 1.00 0.00 C ATOM 1019 CG TYR A 75 3.876 19.426 -0.601 1.00 0.00 C ATOM 1020 CD1 TYR A 75 3.930 18.655 -1.744 1.00 0.00 C ATOM 1021 CD2 TYR A 75 3.078 20.552 -0.565 1.00 0.00 C ATOM 1022 CE1 TYR A 75 3.154 19.024 -2.899 1.00 0.00 C ATOM 1023 CE2 TYR A 75 2.302 20.921 -1.720 1.00 0.00 C ATOM 1024 CZ TYR A 75 2.378 20.138 -2.831 1.00 0.00 C ATOM 1025 OH TYR A 75 1.645 20.487 -3.922 1.00 0.00 O ATOM 0 H TYR A 75 2.608 17.949 0.804 1.00 0.00 H new ATOM 0 HA TYR A 75 5.198 16.936 0.227 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.341 19.597 1.488 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.738 19.330 0.463 1.00 0.00 H new ATOM 0 HD1 TYR A 75 4.555 17.774 -1.772 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.036 21.156 0.329 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.188 18.429 -3.800 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.674 21.799 -1.705 1.00 0.00 H new ATOM 0 HH TYR A 75 1.138 21.303 -3.728 1.00 0.00 H new ATOM 1034 N GLN A 76 4.456 17.074 3.311 1.00 0.00 N ATOM 1035 CA GLN A 76 4.930 16.838 4.663 1.00 0.00 C ATOM 1036 C GLN A 76 4.646 15.394 5.082 1.00 0.00 C ATOM 1037 O GLN A 76 5.045 14.968 6.164 1.00 0.00 O ATOM 1038 CB GLN A 76 4.300 17.827 5.646 1.00 0.00 C ATOM 1039 CG GLN A 76 4.605 19.271 5.241 1.00 0.00 C ATOM 1040 CD GLN A 76 4.370 20.230 6.410 1.00 0.00 C ATOM 1041 OE1 GLN A 76 5.107 20.257 7.381 1.00 0.00 O ATOM 1042 NE2 GLN A 76 3.304 21.012 6.262 1.00 0.00 N ATOM 0 H GLN A 76 3.442 17.039 3.202 1.00 0.00 H new ATOM 0 HA GLN A 76 6.008 16.995 4.680 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.221 17.675 5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.680 17.639 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.639 19.348 4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.975 19.557 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.729 20.937 5.423 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.061 21.686 6.988 1.00 0.00 H new ATOM 1049 N LEU A 77 3.959 14.681 4.201 1.00 0.00 N ATOM 1050 CA LEU A 77 3.617 13.294 4.466 1.00 0.00 C ATOM 1051 C LEU A 77 4.892 12.509 4.776 1.00 0.00 C ATOM 1052 O LEU A 77 4.854 11.517 5.502 1.00 0.00 O ATOM 1053 CB LEU A 77 2.803 12.713 3.308 1.00 0.00 C ATOM 1054 CG LEU A 77 1.945 11.490 3.638 1.00 0.00 C ATOM 1055 CD1 LEU A 77 0.473 11.748 3.308 1.00 0.00 C ATOM 1056 CD2 LEU A 77 2.479 10.240 2.937 1.00 0.00 C ATOM 0 H LEU A 77 3.630 15.038 3.304 1.00 0.00 H new ATOM 0 HA LEU A 77 2.976 13.221 5.345 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.151 13.495 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.490 12.444 2.506 1.00 0.00 H new ATOM 0 HG LEU A 77 2.008 11.308 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.115 10.863 3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.112 12.595 3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.372 11.969 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.851 9.385 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.466 10.394 1.858 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.501 10.048 3.264 1.00 0.00 H new ATOM 1067 N GLY A 78 5.993 12.982 4.210 1.00 0.00 N ATOM 1068 CA GLY A 78 7.278 12.336 4.417 1.00 0.00 C ATOM 1069 C GLY A 78 7.994 12.101 3.086 1.00 0.00 C ATOM 1070 O GLY A 78 9.119 11.604 3.061 1.00 0.00 O ATOM 0 H GLY A 78 6.021 13.805 3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.900 12.954 5.064 1.00 0.00 H new ATOM 0 HA3 GLY A 78 7.133 11.385 4.929 1.00 0.00 H new ATOM 1074 N ARG A 79 7.314 12.471 2.010 1.00 0.00 N ATOM 1075 CA ARG A 79 7.871 12.307 0.679 1.00 0.00 C ATOM 1076 C ARG A 79 8.046 10.822 0.356 1.00 0.00 C ATOM 1077 O ARG A 79 9.130 10.391 -0.034 1.00 0.00 O ATOM 1078 CB ARG A 79 9.225 13.011 0.558 1.00 0.00 C ATOM 1079 CG ARG A 79 9.057 14.433 0.020 1.00 0.00 C ATOM 1080 CD ARG A 79 10.063 15.387 0.668 1.00 0.00 C ATOM 1081 NE ARG A 79 11.122 15.741 -0.304 1.00 0.00 N ATOM 1082 CZ ARG A 79 12.163 16.554 -0.026 1.00 0.00 C ATOM 1083 NH1 ARG A 79 12.295 17.104 1.199 1.00 0.00 N ATOM 1084 NH2 ARG A 79 13.051 16.802 -0.971 1.00 0.00 N ATOM 0 H ARG A 79 6.382 12.884 2.034 1.00 0.00 H new ATOM 0 HA ARG A 79 7.175 12.757 -0.029 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.711 13.042 1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.877 12.442 -0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.193 14.435 -1.061 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.043 14.782 0.214 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.554 16.289 1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.506 14.919 1.547 1.00 0.00 H new ATOM 0 HE ARG A 79 11.061 15.346 -1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.605 16.907 1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.085 17.717 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.944 16.382 -1.894 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.844 17.414 -0.778 1.00 0.00 H new ATOM 1094 N ASN A 80 6.961 10.080 0.530 1.00 0.00 N ATOM 1095 CA ASN A 80 6.981 8.652 0.261 1.00 0.00 C ATOM 1096 C ASN A 80 6.014 8.339 -0.882 1.00 0.00 C ATOM 1097 O ASN A 80 4.818 8.602 -0.777 1.00 0.00 O ATOM 1098 CB ASN A 80 6.536 7.855 1.489 1.00 0.00 C ATOM 1099 CG ASN A 80 5.196 8.368 2.018 1.00 0.00 C ATOM 1100 OD1 ASN A 80 4.618 9.312 1.508 1.00 0.00 O ATOM 1101 ND2 ASN A 80 4.735 7.692 3.068 1.00 0.00 N ATOM 0 H ASN A 80 6.064 10.441 0.854 1.00 0.00 H new ATOM 0 HA ASN A 80 8.001 8.372 -0.001 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.449 6.800 1.230 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.293 7.931 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 80 3.847 7.956 3.494 1.00 0.00 H new ATOM 0 HD22 ASN A 80 5.270 6.910 3.446 1.00 0.00 H new ATOM 1107 N VAL A 81 6.569 7.782 -1.949 1.00 0.00 N ATOM 1108 CA VAL A 81 5.771 7.430 -3.110 1.00 0.00 C ATOM 1109 C VAL A 81 5.777 5.911 -3.287 1.00 0.00 C ATOM 1110 O VAL A 81 6.800 5.327 -3.643 1.00 0.00 O ATOM 1111 CB VAL A 81 6.285 8.177 -4.343 1.00 0.00 C ATOM 1112 CG1 VAL A 81 6.065 9.685 -4.201 1.00 0.00 C ATOM 1113 CG2 VAL A 81 7.758 7.859 -4.604 1.00 0.00 C ATOM 0 H VAL A 81 7.562 7.566 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 81 4.735 7.736 -2.968 1.00 0.00 H new ATOM 0 HB VAL A 81 5.712 7.834 -5.205 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.439 10.193 -5.090 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.000 9.888 -4.088 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.599 10.050 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.097 8.403 -5.486 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.353 8.159 -3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.875 6.788 -4.771 1.00 0.00 H new ATOM 1123 N LEU A 82 4.623 5.313 -3.029 1.00 0.00 N ATOM 1124 CA LEU A 82 4.482 3.872 -3.155 1.00 0.00 C ATOM 1125 C LEU A 82 3.321 3.558 -4.099 1.00 0.00 C ATOM 1126 O LEU A 82 2.182 3.943 -3.838 1.00 0.00 O ATOM 1127 CB LEU A 82 4.346 3.225 -1.776 1.00 0.00 C ATOM 1128 CG LEU A 82 5.654 2.814 -1.095 1.00 0.00 C ATOM 1129 CD1 LEU A 82 5.528 2.897 0.427 1.00 0.00 C ATOM 1130 CD2 LEU A 82 6.101 1.427 -1.559 1.00 0.00 C ATOM 0 H LEU A 82 3.777 5.800 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 82 5.379 3.439 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.821 3.920 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.716 2.341 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 82 6.431 3.518 -1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.471 2.600 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.289 3.920 0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.734 2.230 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.032 1.159 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.333 0.695 -1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.257 1.437 -2.638 1.00 0.00 H new ATOM 1141 N LEU A 83 3.648 2.862 -5.178 1.00 0.00 N ATOM 1142 CA LEU A 83 2.646 2.492 -6.164 1.00 0.00 C ATOM 1143 C LEU A 83 2.498 0.970 -6.187 1.00 0.00 C ATOM 1144 O LEU A 83 3.425 0.258 -6.577 1.00 0.00 O ATOM 1145 CB LEU A 83 2.984 3.099 -7.526 1.00 0.00 C ATOM 1146 CG LEU A 83 2.492 2.321 -8.748 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.428 1.154 -9.069 1.00 0.00 C ATOM 1148 CD2 LEU A 83 1.045 1.860 -8.558 1.00 0.00 C ATOM 0 H LEU A 83 4.593 2.544 -5.391 1.00 0.00 H new ATOM 0 HA LEU A 83 1.674 2.903 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.565 4.104 -7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.067 3.202 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 83 2.507 2.991 -9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.055 0.618 -9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.427 1.536 -9.277 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.469 0.476 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.720 1.310 -9.441 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.981 1.213 -7.683 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.402 2.729 -8.415 1.00 0.00 H new ATOM 1159 N LYS A 84 1.328 0.513 -5.767 1.00 0.00 N ATOM 1160 CA LYS A 84 1.049 -0.913 -5.736 1.00 0.00 C ATOM 1161 C LYS A 84 -0.204 -1.200 -6.567 1.00 0.00 C ATOM 1162 O LYS A 84 -1.283 -0.688 -6.270 1.00 0.00 O ATOM 1163 CB LYS A 84 0.955 -1.409 -4.292 1.00 0.00 C ATOM 1164 CG LYS A 84 1.171 -2.921 -4.217 1.00 0.00 C ATOM 1165 CD LYS A 84 2.656 -3.257 -4.067 1.00 0.00 C ATOM 1166 CE LYS A 84 2.957 -3.804 -2.671 1.00 0.00 C ATOM 1167 NZ LYS A 84 3.303 -5.241 -2.740 1.00 0.00 N ATOM 0 H LYS A 84 0.562 1.105 -5.445 1.00 0.00 H new ATOM 0 HA LYS A 84 1.868 -1.472 -6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.700 -0.901 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.022 -1.157 -3.880 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.615 -3.330 -3.373 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.777 -3.393 -5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.944 -3.992 -4.819 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.254 -2.364 -4.248 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.781 -3.247 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.091 -3.663 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.405 -5.620 -1.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.549 -5.756 -3.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.199 -5.358 -3.255 1.00 0.00 H new ATOM 1176 N ASN A 85 -0.019 -2.019 -7.592 1.00 0.00 N ATOM 1177 CA ASN A 85 -1.121 -2.381 -8.468 1.00 0.00 C ATOM 1178 C ASN A 85 -1.402 -3.879 -8.336 1.00 0.00 C ATOM 1179 O ASN A 85 -0.550 -4.705 -8.661 1.00 0.00 O ATOM 1180 CB ASN A 85 -0.779 -2.092 -9.931 1.00 0.00 C ATOM 1181 CG ASN A 85 0.359 -2.991 -10.416 1.00 0.00 C ATOM 1182 OD1 ASN A 85 0.154 -3.984 -11.095 1.00 0.00 O ATOM 1183 ND2 ASN A 85 1.568 -2.590 -10.033 1.00 0.00 N ATOM 0 H ASN A 85 0.877 -2.442 -7.836 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.990 -1.791 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -1.661 -2.249 -10.552 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.493 -1.046 -10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 85 2.393 -3.123 -10.307 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.670 -1.749 -9.465 1.00 0.00 H new ATOM 1189 N GLY A 86 -2.598 -4.184 -7.857 1.00 0.00 N ATOM 1190 CA GLY A 86 -3.002 -5.569 -7.677 1.00 0.00 C ATOM 1191 C GLY A 86 -4.175 -5.921 -8.592 1.00 0.00 C ATOM 1192 O GLY A 86 -5.287 -5.433 -8.398 1.00 0.00 O ATOM 0 H GLY A 86 -3.301 -3.496 -7.588 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.160 -6.228 -7.890 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.284 -5.737 -6.638 1.00 0.00 H new ATOM 1196 N GLU A 87 -3.887 -6.765 -9.571 1.00 0.00 N ATOM 1197 CA GLU A 87 -4.905 -7.189 -10.518 1.00 0.00 C ATOM 1198 C GLU A 87 -5.011 -8.715 -10.536 1.00 0.00 C ATOM 1199 O GLU A 87 -4.042 -9.405 -10.850 1.00 0.00 O ATOM 1200 CB GLU A 87 -4.614 -6.643 -11.917 1.00 0.00 C ATOM 1201 CG GLU A 87 -4.953 -5.153 -12.006 1.00 0.00 C ATOM 1202 CD GLU A 87 -5.385 -4.773 -13.424 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -6.559 -4.947 -13.781 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -4.450 -4.281 -14.164 1.00 0.00 O ATOM 0 H GLU A 87 -2.963 -7.167 -9.730 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.864 -6.782 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.562 -6.795 -12.159 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -5.194 -7.196 -12.655 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.751 -4.915 -11.303 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.085 -4.561 -11.715 1.00 0.00 H new ATOM 1210 N ASP A 88 -6.196 -9.199 -10.195 1.00 0.00 N ATOM 1211 CA ASP A 88 -6.441 -10.630 -10.168 1.00 0.00 C ATOM 1212 C ASP A 88 -7.668 -10.950 -11.026 1.00 0.00 C ATOM 1213 O ASP A 88 -8.783 -10.551 -10.694 1.00 0.00 O ATOM 1214 CB ASP A 88 -6.720 -11.115 -8.744 1.00 0.00 C ATOM 1215 CG ASP A 88 -7.525 -12.413 -8.648 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -8.611 -12.449 -8.050 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -6.988 -13.432 -9.228 1.00 0.00 O ATOM 0 H ASP A 88 -6.998 -8.624 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.552 -11.131 -10.552 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.768 -11.257 -8.232 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.257 -10.332 -8.208 1.00 0.00 H new ATOM 1222 N ARG A 89 -7.420 -11.667 -12.112 1.00 0.00 N ATOM 1223 CA ARG A 89 -8.492 -12.045 -13.019 1.00 0.00 C ATOM 1224 C ARG A 89 -8.102 -13.296 -13.808 1.00 0.00 C ATOM 1225 O ARG A 89 -6.917 -13.563 -14.011 1.00 0.00 O ATOM 1226 CB ARG A 89 -8.809 -10.911 -13.996 1.00 0.00 C ATOM 1227 CG ARG A 89 -7.595 -10.004 -14.198 1.00 0.00 C ATOM 1228 CD ARG A 89 -7.060 -10.112 -15.627 1.00 0.00 C ATOM 1229 NE ARG A 89 -5.588 -9.957 -15.629 1.00 0.00 N ATOM 1230 CZ ARG A 89 -4.880 -9.469 -16.671 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -5.505 -9.088 -17.805 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -3.568 -9.374 -16.565 1.00 0.00 N ATOM 0 H ARG A 89 -6.494 -11.996 -12.385 1.00 0.00 H new ATOM 0 HA ARG A 89 -9.379 -12.252 -12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -9.119 -11.328 -14.954 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.646 -10.324 -13.618 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.870 -8.971 -13.986 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.811 -10.277 -13.491 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.333 -11.077 -16.054 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.516 -9.345 -16.254 1.00 0.00 H new ATOM 0 HE ARG A 89 -5.076 -10.236 -14.792 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.519 -9.167 -17.880 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -4.963 -8.721 -18.587 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.103 -9.667 -15.706 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.019 -9.008 -17.343 1.00 0.00 H new ATOM 1242 N LEU A 90 -9.119 -14.030 -14.232 1.00 0.00 N ATOM 1243 CA LEU A 90 -8.898 -15.247 -14.995 1.00 0.00 C ATOM 1244 C LEU A 90 -9.694 -15.179 -16.300 1.00 0.00 C ATOM 1245 O LEU A 90 -10.502 -14.270 -16.491 1.00 0.00 O ATOM 1246 CB LEU A 90 -9.216 -16.478 -14.144 1.00 0.00 C ATOM 1247 CG LEU A 90 -8.507 -16.561 -12.791 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -9.059 -17.714 -11.952 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -6.991 -16.656 -12.972 1.00 0.00 C ATOM 0 H LEU A 90 -10.099 -13.806 -14.062 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.847 -15.339 -15.268 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.292 -16.507 -13.970 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.962 -17.368 -14.720 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.708 -15.641 -12.243 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.538 -17.750 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.124 -17.561 -11.779 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.909 -18.654 -12.483 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.511 -16.714 -11.995 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.749 -17.549 -13.549 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.632 -15.773 -13.501 1.00 0.00 H new ATOM 1260 N ARG A 91 -9.439 -16.150 -17.163 1.00 0.00 N ATOM 1261 CA ARG A 91 -10.123 -16.211 -18.444 1.00 0.00 C ATOM 1262 C ARG A 91 -11.637 -16.138 -18.242 1.00 0.00 C ATOM 1263 O ARG A 91 -12.352 -15.585 -19.077 1.00 0.00 O ATOM 1264 CB ARG A 91 -9.777 -17.500 -19.192 1.00 0.00 C ATOM 1265 CG ARG A 91 -9.996 -17.337 -20.697 1.00 0.00 C ATOM 1266 CD ARG A 91 -9.282 -18.442 -21.479 1.00 0.00 C ATOM 1267 NE ARG A 91 -10.272 -19.276 -22.195 1.00 0.00 N ATOM 1268 CZ ARG A 91 -10.872 -20.363 -21.664 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -10.586 -20.756 -20.404 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -11.742 -21.035 -22.394 1.00 0.00 N ATOM 0 H ARG A 91 -8.768 -16.901 -17.001 1.00 0.00 H new ATOM 0 HA ARG A 91 -9.791 -15.359 -19.038 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -8.738 -17.769 -18.999 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.393 -18.318 -18.818 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -11.063 -17.362 -20.917 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.627 -16.363 -21.018 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.583 -18.002 -22.190 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.697 -19.061 -20.798 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.517 -19.014 -23.150 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.913 -20.231 -19.846 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.043 -21.578 -20.010 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.953 -20.731 -23.345 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.204 -21.858 -22.008 1.00 0.00 H new ATOM 1280 N PHE A 92 -12.081 -16.701 -17.129 1.00 0.00 N ATOM 1281 CA PHE A 92 -13.498 -16.706 -16.806 1.00 0.00 C ATOM 1282 C PHE A 92 -14.077 -15.290 -16.854 1.00 0.00 C ATOM 1283 O PHE A 92 -15.245 -15.104 -17.187 1.00 0.00 O ATOM 1284 CB PHE A 92 -13.630 -17.250 -15.382 1.00 0.00 C ATOM 1285 CG PHE A 92 -13.677 -18.777 -15.301 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -13.307 -19.526 -16.375 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -14.085 -19.387 -14.157 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -13.348 -20.944 -16.300 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -14.127 -20.805 -14.082 1.00 0.00 C ATOM 1290 CZ PHE A 92 -13.758 -21.552 -15.156 1.00 0.00 C ATOM 0 H PHE A 92 -11.485 -17.157 -16.439 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.042 -17.316 -17.527 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -12.790 -16.891 -14.787 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -14.536 -16.844 -14.932 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -12.982 -19.042 -17.284 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -14.378 -18.793 -13.304 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -13.053 -21.539 -17.152 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -14.452 -21.289 -13.173 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.791 -22.630 -15.100 1.00 0.00 H new ATOM 1299 N TYR A 93 -13.230 -14.328 -16.516 1.00 0.00 N ATOM 1300 CA TYR A 93 -13.643 -12.935 -16.516 1.00 0.00 C ATOM 1301 C TYR A 93 -13.495 -12.320 -17.908 1.00 0.00 C ATOM 1302 O TYR A 93 -12.597 -12.691 -18.663 1.00 0.00 O ATOM 1303 CB TYR A 93 -12.698 -12.215 -15.550 1.00 0.00 C ATOM 1304 CG TYR A 93 -13.198 -12.177 -14.104 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -14.194 -13.039 -13.695 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -12.652 -11.278 -13.211 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -14.664 -13.002 -12.334 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -13.123 -11.241 -11.850 1.00 0.00 C ATOM 1309 CZ TYR A 93 -14.105 -12.105 -11.479 1.00 0.00 C ATOM 1310 OH TYR A 93 -14.549 -12.070 -10.194 1.00 0.00 O ATOM 0 H TYR A 93 -12.261 -14.486 -16.241 1.00 0.00 H new ATOM 0 HA TYR A 93 -14.689 -12.845 -16.223 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.726 -12.707 -15.575 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -12.547 -11.193 -15.899 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.621 -13.742 -14.395 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.872 -10.603 -13.532 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.443 -13.672 -12.000 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -12.705 -10.542 -11.140 1.00 0.00 H new ATOM 0 HH TYR A 93 -14.059 -11.382 -9.697 1.00 0.00 H new ATOM 1319 N VAL A 94 -14.390 -11.389 -18.208 1.00 0.00 N ATOM 1320 CA VAL A 94 -14.370 -10.718 -19.497 1.00 0.00 C ATOM 1321 C VAL A 94 -13.996 -9.248 -19.296 1.00 0.00 C ATOM 1322 O VAL A 94 -13.708 -8.541 -20.260 1.00 0.00 O ATOM 1323 CB VAL A 94 -15.715 -10.904 -20.203 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -15.780 -10.067 -21.483 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -15.979 -12.380 -20.500 1.00 0.00 C ATOM 0 H VAL A 94 -15.134 -11.084 -17.580 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.614 -11.158 -20.147 1.00 0.00 H new ATOM 0 HB VAL A 94 -16.498 -10.553 -19.531 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -16.745 -10.216 -21.967 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -15.657 -9.013 -21.235 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -14.983 -10.375 -22.160 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -16.941 -12.484 -21.002 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -15.190 -12.768 -21.144 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -15.994 -12.942 -19.566 1.00 0.00 H new ATOM 1335 N LYS A 95 -14.016 -8.832 -18.038 1.00 0.00 N ATOM 1336 CA LYS A 95 -13.683 -7.460 -17.699 1.00 0.00 C ATOM 1337 C LYS A 95 -12.171 -7.340 -17.496 1.00 0.00 C ATOM 1338 O LYS A 95 -11.576 -6.314 -17.821 1.00 0.00 O ATOM 1339 CB LYS A 95 -14.503 -6.990 -16.496 1.00 0.00 C ATOM 1340 CG LYS A 95 -13.753 -5.918 -15.705 1.00 0.00 C ATOM 1341 CD LYS A 95 -14.726 -4.914 -15.083 1.00 0.00 C ATOM 1342 CE LYS A 95 -15.605 -5.585 -14.027 1.00 0.00 C ATOM 1343 NZ LYS A 95 -15.314 -5.034 -12.684 1.00 0.00 N ATOM 0 H LYS A 95 -14.258 -9.422 -17.242 1.00 0.00 H new ATOM 0 HA LYS A 95 -13.949 -6.792 -18.518 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.459 -6.593 -16.836 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.723 -7.838 -15.848 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -13.159 -6.388 -14.921 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -13.057 -5.396 -16.362 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.168 -4.095 -14.630 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -15.354 -4.480 -15.861 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -16.657 -5.431 -14.270 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -15.431 -6.661 -14.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -15.919 -5.500 -11.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.315 -5.203 -12.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -15.503 -4.011 -12.680 1.00 0.00 H new ATOM 1352 N PHE A 96 -11.593 -8.406 -16.962 1.00 0.00 N ATOM 1353 CA PHE A 96 -10.162 -8.433 -16.712 1.00 0.00 C ATOM 1354 C PHE A 96 -9.670 -7.084 -16.186 1.00 0.00 C ATOM 1355 O PHE A 96 -8.744 -6.496 -16.744 1.00 0.00 O ATOM 1356 CB PHE A 96 -9.479 -8.726 -18.050 1.00 0.00 C ATOM 1357 CG PHE A 96 -9.876 -7.766 -19.173 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -11.005 -7.997 -19.896 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -9.101 -6.684 -19.449 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -11.375 -7.107 -20.939 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -9.471 -5.793 -20.492 1.00 0.00 C ATOM 1362 CZ PHE A 96 -10.599 -6.024 -21.215 1.00 0.00 C ATOM 0 H PHE A 96 -12.089 -9.256 -16.696 1.00 0.00 H new ATOM 0 HA PHE A 96 -9.931 -9.190 -15.963 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -8.399 -8.681 -17.912 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -9.720 -9.745 -18.354 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -11.620 -8.857 -19.677 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -8.204 -6.502 -18.876 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -12.272 -7.290 -21.513 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -8.856 -4.932 -20.710 1.00 0.00 H new ATOM 0 HZ PHE A 96 -10.879 -5.347 -22.009 1.00 0.00 H new ATOM 1371 N GLY A 97 -10.311 -6.631 -15.119 1.00 0.00 N ATOM 1372 CA GLY A 97 -9.950 -5.361 -14.512 1.00 0.00 C ATOM 1373 C GLY A 97 -10.800 -5.086 -13.269 1.00 0.00 C ATOM 1374 O GLY A 97 -11.638 -4.186 -13.272 1.00 0.00 O ATOM 0 H GLY A 97 -11.078 -7.121 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -8.894 -5.371 -14.240 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.086 -4.557 -15.235 1.00 0.00 H new ATOM 1378 N PRO A 98 -10.548 -5.900 -12.210 1.00 0.00 N ATOM 1379 CA PRO A 98 -11.281 -5.754 -10.963 1.00 0.00 C ATOM 1380 C PRO A 98 -10.795 -4.531 -10.183 1.00 0.00 C ATOM 1381 O PRO A 98 -11.587 -3.855 -9.527 1.00 0.00 O ATOM 1382 CB PRO A 98 -11.056 -7.061 -10.219 1.00 0.00 C ATOM 1383 CG PRO A 98 -9.837 -7.702 -10.862 1.00 0.00 C ATOM 1384 CD PRO A 98 -9.564 -6.978 -12.170 1.00 0.00 C ATOM 0 HA PRO A 98 -12.345 -5.578 -11.118 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -10.889 -6.882 -9.157 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -11.927 -7.711 -10.299 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -8.974 -7.631 -10.199 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.014 -8.762 -11.042 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -8.547 -6.587 -12.201 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -9.675 -7.647 -13.023 1.00 0.00 H new ATOM 1389 N GLY A 99 -9.497 -4.284 -10.279 1.00 0.00 N ATOM 1390 CA GLY A 99 -8.897 -3.155 -9.589 1.00 0.00 C ATOM 1391 C GLY A 99 -7.600 -2.721 -10.274 1.00 0.00 C ATOM 1392 O GLY A 99 -6.541 -3.299 -10.030 1.00 0.00 O ATOM 0 H GLY A 99 -8.844 -4.847 -10.824 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -9.599 -2.321 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -8.693 -3.424 -8.553 1.00 0.00 H new ATOM 1396 N ALA A 100 -7.724 -1.707 -11.119 1.00 0.00 N ATOM 1397 CA ALA A 100 -6.574 -1.189 -11.841 1.00 0.00 C ATOM 1398 C ALA A 100 -6.129 0.130 -11.204 1.00 0.00 C ATOM 1399 O ALA A 100 -6.869 0.727 -10.424 1.00 0.00 O ATOM 1400 CB ALA A 100 -6.929 -1.031 -13.321 1.00 0.00 C ATOM 0 H ALA A 100 -8.603 -1.231 -11.320 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.737 -1.884 -11.779 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.067 -0.642 -13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.210 -2.000 -13.733 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.764 -0.338 -13.423 1.00 0.00 H new ATOM 1406 N VAL A 101 -4.923 0.544 -11.562 1.00 0.00 N ATOM 1407 CA VAL A 101 -4.370 1.781 -11.035 1.00 0.00 C ATOM 1408 C VAL A 101 -5.303 2.941 -11.388 1.00 0.00 C ATOM 1409 O VAL A 101 -5.454 3.879 -10.607 1.00 0.00 O ATOM 1410 CB VAL A 101 -2.945 1.980 -11.554 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -2.952 2.628 -12.940 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -2.112 2.801 -10.568 1.00 0.00 C ATOM 0 H VAL A 101 -4.313 0.046 -12.210 1.00 0.00 H new ATOM 0 HA VAL A 101 -4.302 1.737 -9.948 1.00 0.00 H new ATOM 0 HB VAL A 101 -2.482 0.998 -11.646 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -1.927 2.758 -13.286 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -3.492 1.988 -13.638 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -3.443 3.600 -12.885 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -1.103 2.928 -10.961 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.573 3.779 -10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -2.066 2.282 -9.611 1.00 0.00 H new ATOM 1422 N ILE A 102 -5.904 2.839 -12.564 1.00 0.00 N ATOM 1423 CA ILE A 102 -6.818 3.868 -13.029 1.00 0.00 C ATOM 1424 C ILE A 102 -8.003 3.966 -12.067 1.00 0.00 C ATOM 1425 O ILE A 102 -8.528 5.053 -11.831 1.00 0.00 O ATOM 1426 CB ILE A 102 -7.225 3.607 -14.481 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -8.063 4.763 -15.032 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -7.942 2.263 -14.616 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -7.814 4.956 -16.529 1.00 0.00 C ATOM 0 H ILE A 102 -5.776 2.059 -13.209 1.00 0.00 H new ATOM 0 HA ILE A 102 -6.327 4.841 -13.029 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.319 3.550 -15.085 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -9.121 4.565 -14.858 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.818 5.681 -14.498 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -8.220 2.102 -15.657 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -7.278 1.462 -14.290 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -8.839 2.265 -13.997 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -8.422 5.783 -16.895 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.760 5.178 -16.697 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -8.083 4.045 -17.063 1.00 0.00 H new ATOM 1440 N LYS A 103 -8.389 2.815 -11.537 1.00 0.00 N ATOM 1441 CA LYS A 103 -9.503 2.757 -10.606 1.00 0.00 C ATOM 1442 C LYS A 103 -9.153 3.556 -9.348 1.00 0.00 C ATOM 1443 O LYS A 103 -10.021 4.193 -8.752 1.00 0.00 O ATOM 1444 CB LYS A 103 -9.890 1.304 -10.321 1.00 0.00 C ATOM 1445 CG LYS A 103 -11.247 0.967 -10.940 1.00 0.00 C ATOM 1446 CD LYS A 103 -11.098 -0.062 -12.064 1.00 0.00 C ATOM 1447 CE LYS A 103 -10.514 0.582 -13.322 1.00 0.00 C ATOM 1448 NZ LYS A 103 -11.596 1.102 -14.189 1.00 0.00 N ATOM 0 H LYS A 103 -7.950 1.915 -11.734 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.388 3.219 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.128 0.636 -10.721 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -9.926 1.138 -9.244 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -11.914 0.577 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.707 1.874 -11.331 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.452 -0.875 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -12.070 -0.500 -12.293 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.842 1.393 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.921 -0.150 -13.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -11.182 1.536 -15.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -12.222 0.320 -14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -12.145 1.816 -13.669 1.00 0.00 H new ATOM 1457 N GLU A 104 -7.881 3.499 -8.984 1.00 0.00 N ATOM 1458 CA GLU A 104 -7.406 4.209 -7.809 1.00 0.00 C ATOM 1459 C GLU A 104 -7.704 5.704 -7.937 1.00 0.00 C ATOM 1460 O GLU A 104 -8.032 6.363 -6.951 1.00 0.00 O ATOM 1461 CB GLU A 104 -5.913 3.965 -7.587 1.00 0.00 C ATOM 1462 CG GLU A 104 -5.415 4.701 -6.342 1.00 0.00 C ATOM 1463 CD GLU A 104 -5.349 3.758 -5.138 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -4.253 3.330 -4.746 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -6.489 3.474 -4.604 1.00 0.00 O ATOM 0 H GLU A 104 -7.164 2.972 -9.482 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.936 3.825 -6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.728 2.896 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.353 4.300 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.428 5.121 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.079 5.536 -6.119 1.00 0.00 H new ATOM 1471 N PHE A 105 -7.579 6.198 -9.161 1.00 0.00 N ATOM 1472 CA PHE A 105 -7.831 7.603 -9.429 1.00 0.00 C ATOM 1473 C PHE A 105 -9.291 7.962 -9.148 1.00 0.00 C ATOM 1474 O PHE A 105 -9.586 9.067 -8.692 1.00 0.00 O ATOM 1475 CB PHE A 105 -7.539 7.833 -10.914 1.00 0.00 C ATOM 1476 CG PHE A 105 -8.690 8.487 -11.681 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -9.809 7.770 -11.971 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -8.596 9.786 -12.073 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -10.877 8.376 -12.682 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -9.664 10.393 -12.783 1.00 0.00 C ATOM 1481 CZ PHE A 105 -10.783 9.675 -13.073 1.00 0.00 C ATOM 0 H PHE A 105 -7.307 5.650 -9.977 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.203 8.223 -8.789 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.652 8.460 -11.006 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.303 6.876 -11.380 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.885 6.739 -11.660 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -7.708 10.356 -11.844 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.765 7.806 -12.913 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -9.589 11.425 -13.093 1.00 0.00 H new ATOM 0 HZ PHE A 105 -11.596 10.137 -13.613 1.00 0.00 H new ATOM 1490 N LYS A 106 -10.167 7.009 -9.431 1.00 0.00 N ATOM 1491 CA LYS A 106 -11.590 7.212 -9.214 1.00 0.00 C ATOM 1492 C LYS A 106 -11.836 7.525 -7.736 1.00 0.00 C ATOM 1493 O LYS A 106 -12.553 8.468 -7.409 1.00 0.00 O ATOM 1494 CB LYS A 106 -12.386 6.012 -9.729 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.707 6.166 -11.217 1.00 0.00 C ATOM 1496 CD LYS A 106 -13.830 5.215 -11.636 1.00 0.00 C ATOM 1497 CE LYS A 106 -13.423 3.755 -11.419 1.00 0.00 C ATOM 1498 NZ LYS A 106 -14.575 2.856 -11.646 1.00 0.00 N ATOM 0 H LYS A 106 -9.919 6.094 -9.809 1.00 0.00 H new ATOM 0 HA LYS A 106 -11.945 8.070 -9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.816 5.097 -9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.312 5.914 -9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.000 7.195 -11.425 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.814 5.963 -11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.730 5.434 -11.062 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -14.075 5.376 -12.686 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.611 3.493 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.046 3.623 -10.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.281 1.870 -11.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.338 3.096 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.917 2.969 -12.622 1.00 0.00 H new ATOM 1507 N ILE A 107 -11.226 6.714 -6.882 1.00 0.00 N ATOM 1508 CA ILE A 107 -11.370 6.892 -5.448 1.00 0.00 C ATOM 1509 C ILE A 107 -11.396 8.388 -5.125 1.00 0.00 C ATOM 1510 O ILE A 107 -12.060 8.810 -4.180 1.00 0.00 O ATOM 1511 CB ILE A 107 -10.282 6.120 -4.701 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -8.993 6.939 -4.608 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -10.045 4.749 -5.337 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -8.781 7.470 -3.189 1.00 0.00 C ATOM 0 H ILE A 107 -10.631 5.932 -7.157 1.00 0.00 H new ATOM 0 HA ILE A 107 -12.317 6.475 -5.105 1.00 0.00 H new ATOM 0 HB ILE A 107 -10.627 5.946 -3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -8.144 6.321 -4.899 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.036 7.772 -5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -9.266 4.222 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -10.967 4.169 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -9.732 4.878 -6.373 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -7.858 8.048 -3.151 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.620 8.107 -2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -8.714 6.633 -2.494 1.00 0.00 H new ATOM 1525 N THR A 108 -10.663 9.147 -5.927 1.00 0.00 N ATOM 1526 CA THR A 108 -10.594 10.585 -5.738 1.00 0.00 C ATOM 1527 C THR A 108 -10.259 11.281 -7.058 1.00 0.00 C ATOM 1528 O THR A 108 -11.115 11.931 -7.656 1.00 0.00 O ATOM 1529 CB THR A 108 -9.580 10.868 -4.627 1.00 0.00 C ATOM 1530 OG1 THR A 108 -8.531 9.934 -4.870 1.00 0.00 O ATOM 1531 CG2 THR A 108 -10.106 10.486 -3.242 1.00 0.00 C ATOM 0 H THR A 108 -10.112 8.792 -6.709 1.00 0.00 H new ATOM 0 HA THR A 108 -11.558 10.990 -5.429 1.00 0.00 H new ATOM 0 HB THR A 108 -9.318 11.926 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.665 10.367 -4.717 1.00 0.00 H new ATOM 0 HG21 THR A 108 -9.348 10.707 -2.491 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.009 11.057 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 108 -10.337 9.421 -3.222 1.00 0.00 H new ATOM 1539 N ASP A 109 -9.011 11.123 -7.474 1.00 0.00 N ATOM 1540 CA ASP A 109 -8.552 11.728 -8.712 1.00 0.00 C ATOM 1541 C ASP A 109 -9.472 11.298 -9.856 1.00 0.00 C ATOM 1542 O ASP A 109 -10.064 12.139 -10.531 1.00 0.00 O ATOM 1543 CB ASP A 109 -7.130 11.275 -9.053 1.00 0.00 C ATOM 1544 CG ASP A 109 -6.094 12.398 -9.128 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -4.925 12.215 -8.756 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -6.535 13.515 -9.599 1.00 0.00 O ATOM 0 H ASP A 109 -8.303 10.584 -6.975 1.00 0.00 H new ATOM 0 HA ASP A 109 -8.564 12.810 -8.583 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.806 10.552 -8.305 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -7.150 10.755 -10.011 1.00 0.00 H new TER 1551 ASP A 109