USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0419 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -3.98! C(o=-4!,f=-3.8!) USER MOD Single : A 21 SER OG : rot -50:sc= -1.61! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -131:sc= -1.44! USER MOD Single : A 32 LYS NZ :NH3+ -102:sc= -0.189 (180deg=-0.613) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.0633 F(o=-1.6,f=-0.063) USER MOD Single : A 37 THR OG1 : rot 119:sc= 0.616 USER MOD Single : A 38 SER OG : rot 29:sc= 1.26 USER MOD Single : A 41 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.4) USER MOD Single : A 45 TYR OH : rot 165:sc= -0.997 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -8.91! C(o=-8.9!,f=-12!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.55! C(o=-1.5!,f=-2.7!) USER MOD Single : A 74 SER OG : rot -2:sc= 1.09 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.8 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.69 F(o=-5!,f=-1.7) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= -6.83! C(o=-6.8!,f=-12!) USER MOD Single : A 86 THR OG1 : rot 64:sc= -3.48! USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -113:sc= -0.754 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 95 HIS : no HE2:sc= -9.65! C(o=-9.7!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 157:sc= -6.77! (180deg=-7.5!) USER MOD Single : A 102 GLN : amide:sc= -2.77! C(o=-2.8!,f=-2.5!) USER MOD Single : A 103 SER OG : rot 58:sc= 1.29 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0861 USER MOD Single : A 106 SER OG : rot 7:sc= 1.13 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.659 -10.123 -18.027 1.00 0.00 N ATOM 2 CA GLY A 1 8.686 -9.048 -18.100 1.00 0.00 C ATOM 3 C GLY A 1 8.089 -7.664 -17.928 1.00 0.00 C ATOM 4 O GLY A 1 6.902 -7.457 -18.176 1.00 0.00 O ATOM 0 H1 GLY A 1 7.684 -10.564 -17.085 1.00 0.00 H new ATOM 0 H2 GLY A 1 6.717 -9.715 -18.193 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.857 -10.842 -18.751 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.438 -9.215 -17.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.198 -9.103 -19.061 1.00 0.00 H new ATOM 10 N SER A 2 8.916 -6.715 -17.499 1.00 0.00 N ATOM 11 CA SER A 2 8.464 -5.345 -17.294 1.00 0.00 C ATOM 12 C SER A 2 7.353 -5.289 -16.249 1.00 0.00 C ATOM 13 O SER A 2 6.181 -5.502 -16.563 1.00 0.00 O ATOM 14 CB SER A 2 7.971 -4.744 -18.611 1.00 0.00 C ATOM 15 OG SER A 2 9.016 -4.065 -19.285 1.00 0.00 O ATOM 0 H SER A 2 9.902 -6.871 -17.287 1.00 0.00 H new ATOM 0 HA SER A 2 9.310 -4.761 -16.931 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.576 -5.534 -19.249 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.151 -4.053 -18.415 1.00 0.00 H new ATOM 0 HG SER A 2 8.675 -3.692 -20.125 1.00 0.00 H new ATOM 21 N SER A 3 7.728 -5.002 -15.007 1.00 0.00 N ATOM 22 CA SER A 3 6.763 -4.919 -13.918 1.00 0.00 C ATOM 23 C SER A 3 7.397 -4.300 -12.674 1.00 0.00 C ATOM 24 O SER A 3 8.603 -4.419 -12.458 1.00 0.00 O ATOM 25 CB SER A 3 6.215 -6.309 -13.587 1.00 0.00 C ATOM 26 OG SER A 3 7.214 -7.125 -12.999 1.00 0.00 O ATOM 0 H SER A 3 8.693 -4.823 -14.730 1.00 0.00 H new ATOM 0 HA SER A 3 5.942 -4.280 -14.242 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.369 -6.217 -12.906 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.843 -6.782 -14.496 1.00 0.00 H new ATOM 0 HG SER A 3 6.838 -8.007 -12.795 1.00 0.00 H new ATOM 32 N PRO A 4 6.587 -3.629 -11.836 1.00 0.00 N ATOM 33 CA PRO A 4 7.073 -2.991 -10.609 1.00 0.00 C ATOM 34 C PRO A 4 7.904 -3.941 -9.749 1.00 0.00 C ATOM 35 O PRO A 4 7.362 -4.838 -9.104 1.00 0.00 O ATOM 36 CB PRO A 4 5.786 -2.601 -9.880 1.00 0.00 C ATOM 37 CG PRO A 4 4.774 -2.438 -10.960 1.00 0.00 C ATOM 38 CD PRO A 4 5.135 -3.442 -12.020 1.00 0.00 C ATOM 0 HA PRO A 4 7.732 -2.150 -10.821 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.485 -3.370 -9.169 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.915 -1.677 -9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 4 3.767 -2.615 -10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.790 -1.424 -11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.590 -4.377 -11.890 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.901 -3.073 -13.019 1.00 0.00 H new ATOM 46 N PRO A 5 9.238 -3.759 -9.728 1.00 0.00 N ATOM 47 CA PRO A 5 10.137 -4.609 -8.940 1.00 0.00 C ATOM 48 C PRO A 5 9.698 -4.721 -7.484 1.00 0.00 C ATOM 49 O PRO A 5 9.545 -5.822 -6.954 1.00 0.00 O ATOM 50 CB PRO A 5 11.484 -3.891 -9.039 1.00 0.00 C ATOM 51 CG PRO A 5 11.410 -3.123 -10.313 1.00 0.00 C ATOM 52 CD PRO A 5 9.972 -2.714 -10.467 1.00 0.00 C ATOM 0 HA PRO A 5 10.158 -5.634 -9.311 1.00 0.00 H new ATOM 0 HB2 PRO A 5 11.644 -3.230 -8.187 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.311 -4.601 -9.052 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.063 -2.251 -10.281 1.00 0.00 H new ATOM 0 HG3 PRO A 5 11.735 -3.733 -11.156 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.789 -1.724 -10.050 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.674 -2.679 -11.515 1.00 0.00 H new ATOM 60 N LYS A 6 9.497 -3.575 -6.842 1.00 0.00 N ATOM 61 CA LYS A 6 9.075 -3.545 -5.445 1.00 0.00 C ATOM 62 C LYS A 6 8.195 -2.357 -5.166 1.00 0.00 C ATOM 63 O LYS A 6 8.149 -1.398 -5.935 1.00 0.00 O ATOM 64 CB LYS A 6 10.286 -3.545 -4.510 1.00 0.00 C ATOM 65 CG LYS A 6 11.349 -2.528 -4.891 1.00 0.00 C ATOM 66 CD LYS A 6 11.190 -1.237 -4.105 1.00 0.00 C ATOM 67 CE LYS A 6 12.535 -0.577 -3.840 1.00 0.00 C ATOM 68 NZ LYS A 6 13.197 -1.133 -2.628 1.00 0.00 N ATOM 0 H LYS A 6 9.619 -2.655 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 6 8.493 -4.447 -5.257 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.949 -3.343 -3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.732 -4.540 -4.506 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.338 -2.948 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.286 -2.316 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.549 -0.550 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.693 -1.445 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.184 -0.716 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 6 12.394 0.497 -3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.110 -0.657 -2.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.589 -0.978 -1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.355 -2.153 -2.756 1.00 0.00 H new ATOM 82 N PRO A 7 7.446 -2.431 -4.064 1.00 0.00 N ATOM 83 CA PRO A 7 6.523 -1.382 -3.696 1.00 0.00 C ATOM 84 C PRO A 7 7.213 -0.033 -3.514 1.00 0.00 C ATOM 85 O PRO A 7 8.433 0.073 -3.633 1.00 0.00 O ATOM 86 CB PRO A 7 5.902 -1.869 -2.383 1.00 0.00 C ATOM 87 CG PRO A 7 6.133 -3.341 -2.372 1.00 0.00 C ATOM 88 CD PRO A 7 7.415 -3.561 -3.117 1.00 0.00 C ATOM 0 HA PRO A 7 5.782 -1.209 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.370 -1.389 -1.523 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.838 -1.636 -2.339 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.205 -3.718 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.308 -3.869 -2.850 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.277 -3.552 -2.449 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.422 -4.521 -3.633 1.00 0.00 H new ATOM 96 N GLY A 8 6.419 0.999 -3.247 1.00 0.00 N ATOM 97 CA GLY A 8 6.964 2.334 -3.076 1.00 0.00 C ATOM 98 C GLY A 8 6.581 3.229 -4.236 1.00 0.00 C ATOM 99 O GLY A 8 7.296 4.171 -4.579 1.00 0.00 O ATOM 0 H GLY A 8 5.406 0.935 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.597 2.764 -2.144 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.050 2.280 -2.997 1.00 0.00 H new ATOM 103 N ASP A 9 5.452 2.901 -4.854 1.00 0.00 N ATOM 104 CA ASP A 9 4.934 3.610 -6.000 1.00 0.00 C ATOM 105 C ASP A 9 3.735 2.841 -6.484 1.00 0.00 C ATOM 106 O ASP A 9 2.917 2.386 -5.683 1.00 0.00 O ATOM 107 CB ASP A 9 6.005 3.716 -7.078 1.00 0.00 C ATOM 108 CG ASP A 9 6.139 5.123 -7.629 1.00 0.00 C ATOM 109 OD1 ASP A 9 6.396 6.050 -6.832 1.00 0.00 O ATOM 110 OD2 ASP A 9 5.989 5.296 -8.856 1.00 0.00 O ATOM 0 H ASP A 9 4.866 2.119 -4.561 1.00 0.00 H new ATOM 0 HA ASP A 9 4.645 4.629 -5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.963 3.398 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.765 3.032 -7.892 1.00 0.00 H new ATOM 115 N ILE A 10 3.631 2.679 -7.765 1.00 0.00 N ATOM 116 CA ILE A 10 2.531 1.943 -8.313 1.00 0.00 C ATOM 117 C ILE A 10 2.801 0.441 -8.170 1.00 0.00 C ATOM 118 O ILE A 10 3.550 -0.166 -8.935 1.00 0.00 O ATOM 119 CB ILE A 10 2.348 2.343 -9.791 1.00 0.00 C ATOM 120 CG1 ILE A 10 0.884 2.204 -10.202 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.251 1.538 -10.719 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.324 0.817 -9.964 1.00 0.00 C ATOM 0 H ILE A 10 4.291 3.044 -8.451 1.00 0.00 H new ATOM 0 HA ILE A 10 1.611 2.173 -7.775 1.00 0.00 H new ATOM 0 HB ILE A 10 2.643 3.388 -9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.288 2.929 -9.648 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.785 2.452 -11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.088 1.854 -11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.293 1.706 -10.449 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.018 0.477 -10.623 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.720 0.787 -10.277 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.897 0.090 -10.540 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.391 0.574 -8.903 1.00 0.00 H new ATOM 134 N PHE A 11 2.169 -0.141 -7.158 1.00 0.00 N ATOM 135 CA PHE A 11 2.301 -1.562 -6.862 1.00 0.00 C ATOM 136 C PHE A 11 0.949 -2.262 -6.968 1.00 0.00 C ATOM 137 O PHE A 11 -0.048 -1.735 -6.495 1.00 0.00 O ATOM 138 CB PHE A 11 2.911 -1.751 -5.469 1.00 0.00 C ATOM 139 CG PHE A 11 2.818 -3.146 -4.959 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.202 -4.209 -5.754 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.343 -3.394 -3.686 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.113 -5.499 -5.287 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.249 -4.680 -3.214 1.00 0.00 C ATOM 144 CZ PHE A 11 2.634 -5.733 -4.016 1.00 0.00 C ATOM 0 H PHE A 11 1.550 0.359 -6.519 1.00 0.00 H new ATOM 0 HA PHE A 11 2.968 -2.015 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.959 -1.453 -5.498 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.409 -1.083 -4.769 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.575 -4.025 -6.751 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.043 -2.569 -3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.417 -6.325 -5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.875 -4.866 -2.218 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.560 -6.745 -3.647 1.00 0.00 H new ATOM 154 N GLU A 12 0.913 -3.458 -7.544 1.00 0.00 N ATOM 155 CA GLU A 12 -0.327 -4.199 -7.655 1.00 0.00 C ATOM 156 C GLU A 12 -0.261 -5.456 -6.790 1.00 0.00 C ATOM 157 O GLU A 12 0.833 -5.973 -6.568 1.00 0.00 O ATOM 158 CB GLU A 12 -0.650 -4.523 -9.123 1.00 0.00 C ATOM 159 CG GLU A 12 -0.538 -5.998 -9.486 1.00 0.00 C ATOM 160 CD GLU A 12 -0.743 -6.252 -10.966 1.00 0.00 C ATOM 161 OE1 GLU A 12 -1.486 -5.477 -11.604 1.00 0.00 O ATOM 162 OE2 GLU A 12 -0.161 -7.227 -11.488 1.00 0.00 O ATOM 0 H GLU A 12 1.727 -3.929 -7.938 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.144 -3.580 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.663 -4.184 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.022 -3.953 -9.764 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.444 -6.367 -9.191 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.276 -6.565 -8.918 1.00 0.00 H new ATOM 169 N VAL A 13 -1.400 -5.964 -6.274 1.00 0.00 N ATOM 170 CA VAL A 13 -1.324 -7.131 -5.444 1.00 0.00 C ATOM 171 C VAL A 13 -2.285 -8.183 -5.945 1.00 0.00 C ATOM 172 O VAL A 13 -3.505 -8.035 -5.863 1.00 0.00 O ATOM 173 CB VAL A 13 -1.636 -6.751 -3.980 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.035 -5.392 -3.631 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.130 -6.735 -3.712 1.00 0.00 C ATOM 0 H VAL A 13 -2.336 -5.586 -6.422 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.315 -7.542 -5.486 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.183 -7.514 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.268 -5.146 -2.595 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.047 -5.428 -3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.454 -4.629 -4.288 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.310 -6.463 -2.672 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.609 -6.006 -4.366 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.545 -7.724 -3.906 1.00 0.00 H new ATOM 185 N GLU A 14 -1.731 -9.237 -6.499 1.00 0.00 N ATOM 186 CA GLU A 14 -2.536 -10.287 -7.035 1.00 0.00 C ATOM 187 C GLU A 14 -2.352 -11.627 -6.319 1.00 0.00 C ATOM 188 O GLU A 14 -1.242 -12.150 -6.240 1.00 0.00 O ATOM 189 CB GLU A 14 -2.184 -10.496 -8.471 1.00 0.00 C ATOM 190 CG GLU A 14 -0.796 -11.066 -8.684 1.00 0.00 C ATOM 191 CD GLU A 14 -0.321 -10.938 -10.118 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.174 -9.794 -10.595 1.00 0.00 O ATOM 193 OE2 GLU A 14 -0.096 -11.984 -10.764 1.00 0.00 O ATOM 0 H GLU A 14 -0.725 -9.381 -6.586 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.571 -9.972 -6.902 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.915 -11.168 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.260 -9.544 -8.996 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.093 -10.554 -8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.792 -12.118 -8.398 1.00 0.00 H new ATOM 200 N LEU A 15 -3.453 -12.200 -5.907 1.00 0.00 N ATOM 201 CA LEU A 15 -3.499 -13.526 -5.287 1.00 0.00 C ATOM 202 C LEU A 15 -4.769 -14.242 -5.708 1.00 0.00 C ATOM 203 O LEU A 15 -5.803 -13.612 -5.926 1.00 0.00 O ATOM 204 CB LEU A 15 -3.419 -13.471 -3.757 1.00 0.00 C ATOM 205 CG LEU A 15 -2.109 -14.017 -3.203 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.022 -15.522 -3.412 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.962 -13.304 -3.887 1.00 0.00 C ATOM 0 H LEU A 15 -4.369 -11.760 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.622 -14.073 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.541 -12.438 -3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.249 -14.039 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.058 -13.837 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.079 -15.891 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.851 -16.009 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.073 -15.745 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.016 -13.684 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.013 -13.480 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.030 -12.234 -3.691 1.00 0.00 H new ATOM 219 N ALA A 16 -4.695 -15.558 -5.805 1.00 0.00 N ATOM 220 CA ALA A 16 -5.838 -16.352 -6.180 1.00 0.00 C ATOM 221 C ALA A 16 -6.291 -17.128 -4.972 1.00 0.00 C ATOM 222 O ALA A 16 -5.489 -17.843 -4.376 1.00 0.00 O ATOM 223 CB ALA A 16 -5.458 -17.286 -7.312 1.00 0.00 C ATOM 0 H ALA A 16 -3.847 -16.096 -5.627 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.652 -15.715 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.323 -17.886 -7.595 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.126 -16.702 -8.170 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.652 -17.943 -6.986 1.00 0.00 H new ATOM 229 N LYS A 17 -7.554 -16.972 -4.581 1.00 0.00 N ATOM 230 CA LYS A 17 -8.044 -17.674 -3.396 1.00 0.00 C ATOM 231 C LYS A 17 -7.498 -19.091 -3.353 1.00 0.00 C ATOM 232 O LYS A 17 -8.079 -20.018 -3.917 1.00 0.00 O ATOM 233 CB LYS A 17 -9.564 -17.713 -3.322 1.00 0.00 C ATOM 234 CG LYS A 17 -10.054 -18.541 -2.148 1.00 0.00 C ATOM 235 CD LYS A 17 -10.847 -19.754 -2.607 1.00 0.00 C ATOM 236 CE LYS A 17 -11.022 -20.763 -1.483 1.00 0.00 C ATOM 237 NZ LYS A 17 -10.016 -21.859 -1.559 1.00 0.00 N ATOM 0 H LYS A 17 -8.241 -16.383 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.687 -17.112 -2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.949 -16.697 -3.235 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.962 -18.127 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.202 -18.868 -1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.677 -17.923 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.825 -19.436 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.337 -20.227 -3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.934 -20.255 -0.522 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.025 -21.187 -1.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.169 -22.526 -0.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.116 -22.360 -2.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.059 -21.457 -1.490 1.00 0.00 H new ATOM 251 N ASN A 18 -6.364 -19.235 -2.696 1.00 0.00 N ATOM 252 CA ASN A 18 -5.707 -20.541 -2.592 1.00 0.00 C ATOM 253 C ASN A 18 -5.226 -20.819 -1.174 1.00 0.00 C ATOM 254 O ASN A 18 -5.641 -21.792 -0.545 1.00 0.00 O ATOM 255 CB ASN A 18 -4.527 -20.615 -3.562 1.00 0.00 C ATOM 256 CG ASN A 18 -3.949 -22.014 -3.663 1.00 0.00 C ATOM 257 OD1 ASN A 18 -2.873 -22.293 -3.135 1.00 0.00 O ATOM 258 ND2 ASN A 18 -4.664 -22.901 -4.345 1.00 0.00 N ATOM 0 H ASN A 18 -5.874 -18.474 -2.226 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.443 -21.301 -2.852 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.851 -20.286 -4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.748 -19.926 -3.236 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.326 -23.858 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.551 -22.625 -4.766 1.00 0.00 H new ATOM 265 N ASP A 19 -4.364 -19.949 -0.673 1.00 0.00 N ATOM 266 CA ASP A 19 -3.836 -20.080 0.678 1.00 0.00 C ATOM 267 C ASP A 19 -4.176 -18.829 1.442 1.00 0.00 C ATOM 268 O ASP A 19 -4.540 -18.856 2.617 1.00 0.00 O ATOM 269 CB ASP A 19 -2.323 -20.305 0.656 1.00 0.00 C ATOM 270 CG ASP A 19 -1.777 -20.695 2.016 1.00 0.00 C ATOM 271 OD1 ASP A 19 -1.878 -19.876 2.952 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.249 -21.820 2.143 1.00 0.00 O ATOM 0 H ASP A 19 -4.013 -19.139 -1.184 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.284 -20.947 1.164 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.085 -21.086 -0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.828 -19.395 0.316 1.00 0.00 H new ATOM 277 N ASN A 20 -4.097 -17.743 0.712 1.00 0.00 N ATOM 278 CA ASN A 20 -4.424 -16.434 1.200 1.00 0.00 C ATOM 279 C ASN A 20 -4.539 -15.517 0.012 1.00 0.00 C ATOM 280 O ASN A 20 -3.956 -15.782 -1.040 1.00 0.00 O ATOM 281 CB ASN A 20 -3.381 -15.897 2.178 1.00 0.00 C ATOM 282 CG ASN A 20 -3.394 -16.631 3.505 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.399 -16.632 4.217 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.274 -17.258 3.846 1.00 0.00 N ATOM 0 H ASN A 20 -3.795 -17.750 -0.262 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.363 -16.489 1.750 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.391 -15.981 1.730 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.563 -14.836 2.352 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.223 -17.767 4.729 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.465 -17.231 3.225 1.00 0.00 H new ATOM 291 N SER A 21 -5.289 -14.454 0.159 1.00 0.00 N ATOM 292 CA SER A 21 -5.460 -13.533 -0.939 1.00 0.00 C ATOM 293 C SER A 21 -6.077 -12.260 -0.396 1.00 0.00 C ATOM 294 O SER A 21 -6.909 -11.610 -1.029 1.00 0.00 O ATOM 295 CB SER A 21 -6.333 -14.189 -2.019 1.00 0.00 C ATOM 296 OG SER A 21 -6.275 -13.467 -3.238 1.00 0.00 O ATOM 0 H SER A 21 -5.785 -14.206 1.015 1.00 0.00 H new ATOM 0 HA SER A 21 -4.506 -13.282 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.001 -15.214 -2.185 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.365 -14.240 -1.673 1.00 0.00 H new ATOM 0 HG SER A 21 -6.444 -12.517 -3.064 1.00 0.00 H new ATOM 302 N LEU A 22 -5.660 -11.958 0.824 1.00 0.00 N ATOM 303 CA LEU A 22 -6.135 -10.821 1.578 1.00 0.00 C ATOM 304 C LEU A 22 -5.661 -10.979 3.010 1.00 0.00 C ATOM 305 O LEU A 22 -5.088 -12.005 3.357 1.00 0.00 O ATOM 306 CB LEU A 22 -7.642 -10.843 1.670 1.00 0.00 C ATOM 307 CG LEU A 22 -8.072 -11.492 2.983 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.975 -10.562 3.779 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.747 -12.833 2.736 1.00 0.00 C ATOM 0 H LEU A 22 -4.966 -12.513 1.324 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.777 -9.913 1.093 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.034 -9.828 1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.059 -11.395 0.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.176 -11.676 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.268 -11.048 4.710 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.440 -9.639 4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.866 -10.332 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.043 -13.272 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.630 -12.687 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.052 -13.502 2.228 1.00 0.00 H new ATOM 321 N GLY A 23 -5.986 -10.014 3.855 1.00 0.00 N ATOM 322 CA GLY A 23 -5.645 -10.121 5.260 1.00 0.00 C ATOM 323 C GLY A 23 -5.342 -8.781 5.842 1.00 0.00 C ATOM 324 O GLY A 23 -4.435 -8.628 6.647 1.00 0.00 O ATOM 0 H GLY A 23 -6.479 -9.160 3.595 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.471 -10.579 5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.782 -10.776 5.379 1.00 0.00 H new ATOM 328 N ILE A 24 -6.093 -7.798 5.409 1.00 0.00 N ATOM 329 CA ILE A 24 -5.875 -6.446 5.872 1.00 0.00 C ATOM 330 C ILE A 24 -7.091 -5.864 6.560 1.00 0.00 C ATOM 331 O ILE A 24 -8.231 -6.202 6.240 1.00 0.00 O ATOM 332 CB ILE A 24 -5.463 -5.540 4.702 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.624 -5.370 3.720 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.248 -6.149 3.988 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.423 -4.105 3.942 1.00 0.00 C ATOM 0 H ILE A 24 -6.856 -7.905 4.741 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.071 -6.492 6.607 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.198 -4.556 5.090 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.232 -5.369 2.703 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.289 -6.230 3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.955 -5.507 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.419 -6.235 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.507 -7.138 3.609 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.229 -4.051 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.845 -4.113 4.947 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.771 -3.239 3.829 1.00 0.00 H new ATOM 347 N SER A 25 -6.834 -4.957 7.491 1.00 0.00 N ATOM 348 CA SER A 25 -7.880 -4.295 8.206 1.00 0.00 C ATOM 349 C SER A 25 -8.080 -2.925 7.593 1.00 0.00 C ATOM 350 O SER A 25 -7.184 -2.082 7.629 1.00 0.00 O ATOM 351 CB SER A 25 -7.559 -4.195 9.699 1.00 0.00 C ATOM 352 OG SER A 25 -8.745 -4.109 10.470 1.00 0.00 O ATOM 0 H SER A 25 -5.893 -4.670 7.761 1.00 0.00 H new ATOM 0 HA SER A 25 -8.801 -4.872 8.126 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.982 -5.066 10.009 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.937 -3.319 9.883 1.00 0.00 H new ATOM 0 HG SER A 25 -8.514 -4.048 11.420 1.00 0.00 H new ATOM 358 N VAL A 26 -9.238 -2.720 6.990 1.00 0.00 N ATOM 359 CA VAL A 26 -9.517 -1.463 6.326 1.00 0.00 C ATOM 360 C VAL A 26 -10.367 -0.549 7.190 1.00 0.00 C ATOM 361 O VAL A 26 -11.041 -0.997 8.118 1.00 0.00 O ATOM 362 CB VAL A 26 -10.217 -1.691 4.973 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.573 -2.352 5.173 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.361 -0.381 4.220 1.00 0.00 C ATOM 0 H VAL A 26 -9.994 -3.403 6.947 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.556 -0.979 6.152 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.599 -2.361 4.376 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.050 -2.504 4.205 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.439 -3.315 5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.202 -1.712 5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.858 -0.562 3.267 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.955 0.316 4.812 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.374 0.045 4.040 1.00 0.00 H new ATOM 374 N THR A 27 -10.291 0.745 6.898 1.00 0.00 N ATOM 375 CA THR A 27 -11.010 1.758 7.660 1.00 0.00 C ATOM 376 C THR A 27 -10.269 2.033 8.966 1.00 0.00 C ATOM 377 O THR A 27 -10.715 2.824 9.798 1.00 0.00 O ATOM 378 CB THR A 27 -12.448 1.320 7.955 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.036 0.721 6.815 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.343 2.458 8.393 1.00 0.00 C ATOM 0 H THR A 27 -9.732 1.119 6.131 1.00 0.00 H new ATOM 0 HA THR A 27 -11.056 2.669 7.063 1.00 0.00 H new ATOM 0 HB THR A 27 -12.369 0.607 8.776 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.918 1.117 6.655 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.346 2.078 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.944 2.905 9.303 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.385 3.211 7.606 1.00 0.00 H new ATOM 388 N VAL A 28 -9.130 1.367 9.129 1.00 0.00 N ATOM 389 CA VAL A 28 -8.304 1.512 10.307 1.00 0.00 C ATOM 390 C VAL A 28 -7.536 2.823 10.274 1.00 0.00 C ATOM 391 O VAL A 28 -7.410 3.502 11.294 1.00 0.00 O ATOM 392 CB VAL A 28 -7.315 0.347 10.398 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.063 -0.974 10.404 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.347 0.393 9.230 1.00 0.00 C ATOM 0 H VAL A 28 -8.759 0.711 8.441 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.956 1.510 11.180 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.751 0.436 11.327 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.350 -1.796 10.469 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.735 -1.008 11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.642 -1.068 9.486 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.648 -0.440 9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.902 0.319 8.295 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.795 1.333 9.251 1.00 0.00 H new ATOM 404 N LEU A 29 -7.047 3.200 9.092 1.00 0.00 N ATOM 405 CA LEU A 29 -6.335 4.440 8.942 1.00 0.00 C ATOM 406 C LEU A 29 -7.166 5.367 8.098 1.00 0.00 C ATOM 407 O LEU A 29 -6.912 6.568 8.004 1.00 0.00 O ATOM 408 CB LEU A 29 -4.961 4.216 8.314 1.00 0.00 C ATOM 409 CG LEU A 29 -4.110 3.121 8.968 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.637 3.340 8.658 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.331 3.088 10.475 1.00 0.00 C ATOM 0 H LEU A 29 -7.138 2.656 8.234 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.168 4.884 9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.097 3.967 7.262 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.406 5.154 8.350 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.418 2.160 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.045 2.555 9.129 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.484 3.312 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.324 4.310 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.716 2.303 10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.053 4.051 10.905 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.382 2.887 10.684 1.00 0.00 H new ATOM 423 N PHE A 30 -8.171 4.775 7.487 1.00 0.00 N ATOM 424 CA PHE A 30 -9.078 5.489 6.640 1.00 0.00 C ATOM 425 C PHE A 30 -10.525 5.172 7.010 1.00 0.00 C ATOM 426 O PHE A 30 -10.782 4.494 8.001 1.00 0.00 O ATOM 427 CB PHE A 30 -8.784 5.123 5.197 1.00 0.00 C ATOM 428 CG PHE A 30 -9.029 6.156 4.314 1.00 0.00 C ATOM 429 CD1 PHE A 30 -8.114 7.119 4.251 1.00 0.00 C ATOM 430 CD2 PHE A 30 -10.101 6.142 3.510 1.00 0.00 C ATOM 431 CE1 PHE A 30 -8.242 8.094 3.395 1.00 0.00 C ATOM 432 CE2 PHE A 30 -10.261 7.116 2.626 1.00 0.00 C ATOM 433 CZ PHE A 30 -9.323 8.123 2.549 1.00 0.00 C ATOM 0 H PHE A 30 -8.375 3.779 7.570 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.942 6.562 6.773 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.741 4.820 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.390 4.262 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.261 7.093 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.827 5.345 3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.499 8.877 3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.120 7.121 1.971 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.437 8.924 1.833 1.00 0.00 H new ATOM 443 N ASP A 31 -11.469 5.675 6.224 1.00 0.00 N ATOM 444 CA ASP A 31 -12.884 5.441 6.485 1.00 0.00 C ATOM 445 C ASP A 31 -13.368 4.164 5.796 1.00 0.00 C ATOM 446 O ASP A 31 -14.435 3.645 6.121 1.00 0.00 O ATOM 447 CB ASP A 31 -13.714 6.638 6.017 1.00 0.00 C ATOM 448 CG ASP A 31 -13.612 7.817 6.965 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.476 8.193 7.324 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.667 8.364 7.348 1.00 0.00 O ATOM 0 H ASP A 31 -11.281 6.247 5.401 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.012 5.317 7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.380 6.943 5.025 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.758 6.339 5.924 1.00 0.00 H new ATOM 455 N LYS A 32 -12.578 3.659 4.847 1.00 0.00 N ATOM 456 CA LYS A 32 -12.929 2.441 4.122 1.00 0.00 C ATOM 457 C LYS A 32 -11.854 2.075 3.099 1.00 0.00 C ATOM 458 O LYS A 32 -12.170 1.605 2.007 1.00 0.00 O ATOM 459 CB LYS A 32 -14.286 2.604 3.417 1.00 0.00 C ATOM 460 CG LYS A 32 -14.226 3.397 2.115 1.00 0.00 C ATOM 461 CD LYS A 32 -15.028 4.685 2.208 1.00 0.00 C ATOM 462 CE LYS A 32 -14.401 5.654 3.197 1.00 0.00 C ATOM 463 NZ LYS A 32 -14.486 7.063 2.724 1.00 0.00 N ATOM 0 H LYS A 32 -11.691 4.076 4.564 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.000 1.633 4.850 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.695 1.615 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.979 3.098 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.188 3.630 1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.610 2.786 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.086 5.152 1.225 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.049 4.459 2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.902 5.564 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.356 5.386 3.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.565 7.357 2.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.209 7.136 1.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.744 7.681 3.520 1.00 0.00 H new ATOM 477 N GLY A 33 -10.587 2.301 3.443 1.00 0.00 N ATOM 478 CA GLY A 33 -9.520 1.988 2.507 1.00 0.00 C ATOM 479 C GLY A 33 -9.711 2.743 1.198 1.00 0.00 C ATOM 480 O GLY A 33 -9.431 3.940 1.116 1.00 0.00 O ATOM 0 H GLY A 33 -10.284 2.688 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.557 2.249 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.502 0.915 2.314 1.00 0.00 H new ATOM 484 N GLY A 34 -10.203 2.035 0.173 1.00 0.00 N ATOM 485 CA GLY A 34 -10.434 2.641 -1.135 1.00 0.00 C ATOM 486 C GLY A 34 -11.303 3.881 -1.069 1.00 0.00 C ATOM 487 O GLY A 34 -11.939 4.134 -0.047 1.00 0.00 O ATOM 0 H GLY A 34 -10.446 1.046 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.475 2.900 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.905 1.908 -1.790 1.00 0.00 H new ATOM 491 N VAL A 35 -11.305 4.671 -2.157 1.00 0.00 N ATOM 492 CA VAL A 35 -12.063 5.911 -2.235 1.00 0.00 C ATOM 493 C VAL A 35 -11.411 6.761 -3.314 1.00 0.00 C ATOM 494 O VAL A 35 -10.807 6.217 -4.236 1.00 0.00 O ATOM 495 CB VAL A 35 -12.024 6.632 -0.869 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.586 6.774 -0.384 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.770 7.964 -0.868 1.00 0.00 C ATOM 0 H VAL A 35 -10.777 4.458 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.109 5.725 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.564 6.005 -0.159 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.576 7.284 0.579 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.139 5.786 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.014 7.354 -1.108 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.703 8.418 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.323 8.632 -1.604 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.817 7.795 -1.120 1.00 0.00 H new ATOM 507 N ASN A 36 -11.443 8.065 -3.166 1.00 0.00 N ATOM 508 CA ASN A 36 -10.772 8.942 -4.071 1.00 0.00 C ATOM 509 C ASN A 36 -10.151 9.968 -3.176 1.00 0.00 C ATOM 510 O ASN A 36 -9.876 11.097 -3.573 1.00 0.00 O ATOM 511 CB ASN A 36 -11.726 9.598 -5.071 1.00 0.00 C ATOM 512 CG ASN A 36 -12.808 10.424 -4.399 1.00 0.00 C ATOM 513 OD1 ASN A 36 -13.690 9.764 -3.658 1.00 0.00 O flip ATOM 514 ND2 ASN A 36 -12.850 11.646 -4.546 1.00 0.00 N flip ATOM 0 H ASN A 36 -11.938 8.539 -2.411 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.048 8.409 -4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.155 10.236 -5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.192 8.825 -5.682 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -12.152 12.114 -5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.582 12.190 -4.089 1.00 0.00 H new ATOM 521 N THR A 37 -10.023 9.525 -1.915 1.00 0.00 N ATOM 522 CA THR A 37 -9.528 10.309 -0.820 1.00 0.00 C ATOM 523 C THR A 37 -9.174 11.751 -1.200 1.00 0.00 C ATOM 524 O THR A 37 -9.671 12.701 -0.595 1.00 0.00 O ATOM 525 CB THR A 37 -8.327 9.621 -0.172 1.00 0.00 C ATOM 526 OG1 THR A 37 -7.835 10.385 0.913 1.00 0.00 O ATOM 527 CG2 THR A 37 -7.178 9.390 -1.130 1.00 0.00 C ATOM 0 H THR A 37 -10.276 8.575 -1.642 1.00 0.00 H new ATOM 0 HA THR A 37 -10.347 10.377 -0.104 1.00 0.00 H new ATOM 0 HB THR A 37 -8.698 8.653 0.164 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.899 9.860 1.738 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.359 8.898 -0.604 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.512 8.758 -1.953 1.00 0.00 H new ATOM 0 HG23 THR A 37 -6.834 10.347 -1.523 1.00 0.00 H new ATOM 535 N SER A 38 -8.312 11.902 -2.201 1.00 0.00 N ATOM 536 CA SER A 38 -7.888 13.220 -2.662 1.00 0.00 C ATOM 537 C SER A 38 -6.880 13.090 -3.792 1.00 0.00 C ATOM 538 O SER A 38 -5.767 13.613 -3.724 1.00 0.00 O ATOM 539 CB SER A 38 -7.266 14.007 -1.522 1.00 0.00 C ATOM 540 OG SER A 38 -8.248 14.721 -0.790 1.00 0.00 O ATOM 0 H SER A 38 -7.892 11.124 -2.710 1.00 0.00 H new ATOM 0 HA SER A 38 -8.769 13.750 -3.026 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.736 13.327 -0.855 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.528 14.704 -1.919 1.00 0.00 H new ATOM 0 HG SER A 38 -9.102 14.243 -0.836 1.00 0.00 H new ATOM 546 N VAL A 39 -7.281 12.378 -4.824 1.00 0.00 N ATOM 547 CA VAL A 39 -6.444 12.146 -5.979 1.00 0.00 C ATOM 548 C VAL A 39 -7.320 11.822 -7.187 1.00 0.00 C ATOM 549 O VAL A 39 -8.548 11.862 -7.094 1.00 0.00 O ATOM 550 CB VAL A 39 -5.449 10.998 -5.701 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.159 9.656 -5.688 1.00 0.00 C ATOM 552 CG2 VAL A 39 -4.305 11.006 -6.703 1.00 0.00 C ATOM 0 H VAL A 39 -8.201 11.942 -4.884 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.868 13.046 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.021 11.159 -4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.437 8.864 -5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.921 9.655 -4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.630 9.484 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.621 10.186 -6.481 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.703 10.884 -7.710 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.770 11.953 -6.636 1.00 0.00 H new ATOM 562 N ARG A 40 -6.703 11.525 -8.318 1.00 0.00 N ATOM 563 CA ARG A 40 -7.447 11.223 -9.529 1.00 0.00 C ATOM 564 C ARG A 40 -7.345 9.748 -9.900 1.00 0.00 C ATOM 565 O ARG A 40 -7.402 9.386 -11.075 1.00 0.00 O ATOM 566 CB ARG A 40 -6.922 12.092 -10.661 1.00 0.00 C ATOM 567 CG ARG A 40 -7.707 11.957 -11.957 1.00 0.00 C ATOM 568 CD ARG A 40 -6.812 11.543 -13.114 1.00 0.00 C ATOM 569 NE ARG A 40 -7.484 10.617 -14.023 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.526 10.949 -14.782 1.00 0.00 C ATOM 571 NH1 ARG A 40 -9.018 12.182 -14.744 1.00 0.00 N ATOM 572 NH2 ARG A 40 -9.077 10.048 -15.582 1.00 0.00 N ATOM 0 H ARG A 40 -5.689 11.487 -8.423 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.501 11.438 -9.353 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.940 13.135 -10.344 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.880 11.834 -10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.499 11.220 -11.828 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.189 12.906 -12.191 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.500 12.430 -13.666 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.908 11.076 -12.724 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.134 9.660 -14.079 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.597 12.880 -14.131 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.817 12.431 -15.328 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.703 9.100 -15.616 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.875 10.303 -16.163 1.00 0.00 H new ATOM 586 N HIS A 41 -7.193 8.900 -8.891 1.00 0.00 N ATOM 587 CA HIS A 41 -7.083 7.459 -9.111 1.00 0.00 C ATOM 588 C HIS A 41 -7.848 6.677 -8.060 1.00 0.00 C ATOM 589 O HIS A 41 -8.302 5.557 -8.301 1.00 0.00 O ATOM 590 CB HIS A 41 -5.623 7.031 -9.069 1.00 0.00 C ATOM 591 CG HIS A 41 -4.733 7.932 -9.863 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.770 7.983 -11.238 1.00 0.00 N ATOM 593 CD2 HIS A 41 -3.796 8.832 -9.480 1.00 0.00 C ATOM 594 CE1 HIS A 41 -3.899 8.872 -11.668 1.00 0.00 C ATOM 595 NE2 HIS A 41 -3.292 9.403 -10.623 1.00 0.00 N ATOM 0 H HIS A 41 -7.143 9.182 -7.912 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.510 7.246 -10.091 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.284 7.013 -8.033 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.536 6.014 -9.450 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.501 9.058 -8.466 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.713 9.124 -12.701 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.567 10.120 -10.659 1.00 0.00 H new ATOM 604 N GLY A 42 -7.958 7.266 -6.887 1.00 0.00 N ATOM 605 CA GLY A 42 -8.630 6.628 -5.788 1.00 0.00 C ATOM 606 C GLY A 42 -7.969 6.972 -4.480 1.00 0.00 C ATOM 607 O GLY A 42 -8.036 8.112 -4.021 1.00 0.00 O ATOM 0 H GLY A 42 -7.586 8.192 -6.676 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.674 6.940 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.623 5.547 -5.930 1.00 0.00 H new ATOM 611 N GLY A 43 -7.271 6.003 -3.905 1.00 0.00 N ATOM 612 CA GLY A 43 -6.550 6.282 -2.674 1.00 0.00 C ATOM 613 C GLY A 43 -6.905 5.438 -1.453 1.00 0.00 C ATOM 614 O GLY A 43 -7.409 5.973 -0.466 1.00 0.00 O ATOM 0 H GLY A 43 -7.189 5.049 -4.256 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.485 6.160 -2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.709 7.330 -2.419 1.00 0.00 H new ATOM 618 N ILE A 44 -6.615 4.134 -1.482 1.00 0.00 N ATOM 619 CA ILE A 44 -6.892 3.280 -0.312 1.00 0.00 C ATOM 620 C ILE A 44 -5.919 3.537 0.822 1.00 0.00 C ATOM 621 O ILE A 44 -4.703 3.482 0.649 1.00 0.00 O ATOM 622 CB ILE A 44 -6.838 1.762 -0.587 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.424 0.983 0.605 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.400 1.308 -0.863 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.795 -0.376 0.845 1.00 0.00 C ATOM 0 H ILE A 44 -6.199 3.651 -2.279 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.913 3.557 -0.048 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.438 1.554 -1.473 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.310 1.585 1.506 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.494 0.850 0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.388 0.235 -1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.013 1.836 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.776 1.530 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.271 -0.851 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.932 -1.001 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.730 -0.254 1.042 1.00 0.00 H new ATOM 637 N TYR A 45 -6.471 3.741 1.994 1.00 0.00 N ATOM 638 CA TYR A 45 -5.672 3.935 3.195 1.00 0.00 C ATOM 639 C TYR A 45 -6.073 2.910 4.234 1.00 0.00 C ATOM 640 O TYR A 45 -7.258 2.659 4.447 1.00 0.00 O ATOM 641 CB TYR A 45 -5.779 5.340 3.720 1.00 0.00 C ATOM 642 CG TYR A 45 -4.964 6.344 2.971 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.418 6.862 1.777 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.754 6.786 3.469 1.00 0.00 C ATOM 645 CE1 TYR A 45 -4.686 7.796 1.089 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.012 7.723 2.791 1.00 0.00 C ATOM 647 CZ TYR A 45 -3.480 8.228 1.598 1.00 0.00 C ATOM 648 OH TYR A 45 -2.742 9.167 0.913 1.00 0.00 O ATOM 0 H TYR A 45 -7.478 3.778 2.149 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.621 3.788 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.825 5.646 3.693 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.472 5.348 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.364 6.528 1.377 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.386 6.390 4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.053 8.191 0.153 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.068 8.061 3.191 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.054 9.538 1.505 1.00 0.00 H new ATOM 658 N VAL A 46 -5.085 2.222 4.782 1.00 0.00 N ATOM 659 CA VAL A 46 -5.368 1.121 5.668 1.00 0.00 C ATOM 660 C VAL A 46 -4.276 0.801 6.696 1.00 0.00 C ATOM 661 O VAL A 46 -3.271 1.499 6.783 1.00 0.00 O ATOM 662 CB VAL A 46 -5.489 -0.057 4.722 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.125 -0.610 4.366 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.452 -1.079 5.272 1.00 0.00 C ATOM 0 H VAL A 46 -4.094 2.408 4.628 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.246 1.356 6.270 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.918 0.276 3.777 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.241 -1.454 3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.532 0.167 3.882 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.619 -0.941 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.527 -1.918 4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.092 -1.436 6.237 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.434 -0.623 5.397 1.00 0.00 H new ATOM 674 N LYS A 47 -4.453 -0.340 7.403 1.00 0.00 N ATOM 675 CA LYS A 47 -3.427 -0.830 8.342 1.00 0.00 C ATOM 676 C LYS A 47 -2.565 -1.776 7.536 1.00 0.00 C ATOM 677 O LYS A 47 -1.409 -2.059 7.852 1.00 0.00 O ATOM 678 CB LYS A 47 -4.009 -1.562 9.562 1.00 0.00 C ATOM 679 CG LYS A 47 -4.560 -2.949 9.257 1.00 0.00 C ATOM 680 CD LYS A 47 -4.680 -3.790 10.519 1.00 0.00 C ATOM 681 CE LYS A 47 -3.330 -3.984 11.190 1.00 0.00 C ATOM 682 NZ LYS A 47 -3.186 -5.352 11.762 1.00 0.00 N ATOM 0 H LYS A 47 -5.284 -0.928 7.340 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.874 0.014 8.754 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.233 -1.651 10.322 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.806 -0.954 9.990 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.538 -2.858 8.785 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.907 -3.452 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.367 -3.308 11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.107 -4.762 10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.535 -3.808 10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.208 -3.245 11.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.252 -5.444 12.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.929 -5.511 12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.276 -6.057 11.003 1.00 0.00 H new ATOM 696 N ALA A 48 -3.175 -2.195 6.434 1.00 0.00 N ATOM 697 CA ALA A 48 -2.613 -3.018 5.449 1.00 0.00 C ATOM 698 C ALA A 48 -2.664 -4.493 5.816 1.00 0.00 C ATOM 699 O ALA A 48 -3.667 -4.962 6.337 1.00 0.00 O ATOM 700 CB ALA A 48 -1.259 -2.492 5.168 1.00 0.00 C ATOM 0 H ALA A 48 -4.138 -1.934 6.220 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.198 -2.985 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.782 -3.105 4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.334 -1.464 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.662 -2.519 6.079 1.00 0.00 H new ATOM 706 N VAL A 49 -1.630 -5.238 5.475 1.00 0.00 N ATOM 707 CA VAL A 49 -1.638 -6.659 5.670 1.00 0.00 C ATOM 708 C VAL A 49 -1.401 -7.184 7.060 1.00 0.00 C ATOM 709 O VAL A 49 -0.524 -6.751 7.809 1.00 0.00 O ATOM 710 CB VAL A 49 -0.624 -7.292 4.760 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.156 -7.280 3.358 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.708 -6.592 4.872 1.00 0.00 C ATOM 0 H VAL A 49 -0.773 -4.872 5.060 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.670 -6.930 5.446 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.454 -8.327 5.056 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.428 -7.737 2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.089 -7.842 3.318 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.339 -6.251 3.047 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.426 -7.068 4.204 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.593 -5.544 4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.068 -6.658 5.899 1.00 0.00 H new ATOM 722 N ILE A 50 -2.221 -8.189 7.331 1.00 0.00 N ATOM 723 CA ILE A 50 -2.217 -8.945 8.564 1.00 0.00 C ATOM 724 C ILE A 50 -0.787 -9.292 8.984 1.00 0.00 C ATOM 725 O ILE A 50 0.139 -9.207 8.176 1.00 0.00 O ATOM 726 CB ILE A 50 -3.045 -10.246 8.358 1.00 0.00 C ATOM 727 CG1 ILE A 50 -4.246 -10.270 9.308 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.192 -11.489 8.545 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.381 -11.144 8.823 1.00 0.00 C ATOM 0 H ILE A 50 -2.931 -8.508 6.671 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.662 -8.343 9.356 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.408 -10.249 7.330 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.919 -10.623 10.286 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.613 -9.253 9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.805 -12.377 8.393 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.377 -11.483 7.822 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.781 -11.500 9.555 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.197 -11.114 9.545 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.735 -10.779 7.859 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.030 -12.170 8.716 1.00 0.00 H new ATOM 741 N PRO A 51 -0.582 -9.684 10.250 1.00 0.00 N ATOM 742 CA PRO A 51 0.740 -10.032 10.757 1.00 0.00 C ATOM 743 C PRO A 51 1.174 -11.432 10.376 1.00 0.00 C ATOM 744 O PRO A 51 2.361 -11.732 10.253 1.00 0.00 O ATOM 745 CB PRO A 51 0.595 -9.909 12.283 1.00 0.00 C ATOM 746 CG PRO A 51 -0.816 -9.465 12.533 1.00 0.00 C ATOM 747 CD PRO A 51 -1.599 -9.803 11.295 1.00 0.00 C ATOM 0 HA PRO A 51 1.507 -9.382 10.335 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.796 -10.862 12.772 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.307 -9.189 12.685 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.232 -9.970 13.405 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.855 -8.395 12.736 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.021 -10.807 11.341 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.429 -9.115 11.137 1.00 0.00 H new ATOM 755 N GLN A 52 0.193 -12.268 10.211 1.00 0.00 N ATOM 756 CA GLN A 52 0.404 -13.668 9.858 1.00 0.00 C ATOM 757 C GLN A 52 0.382 -13.901 8.349 1.00 0.00 C ATOM 758 O GLN A 52 0.147 -15.020 7.894 1.00 0.00 O ATOM 759 CB GLN A 52 -0.645 -14.550 10.537 1.00 0.00 C ATOM 760 CG GLN A 52 -2.074 -14.197 10.159 1.00 0.00 C ATOM 761 CD GLN A 52 -3.060 -15.290 10.521 1.00 0.00 C ATOM 762 OE1 GLN A 52 -2.737 -16.208 11.276 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.270 -15.197 9.983 1.00 0.00 N ATOM 0 H GLN A 52 -0.789 -12.011 10.315 1.00 0.00 H new ATOM 0 HA GLN A 52 1.398 -13.939 10.214 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.456 -15.591 10.276 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.533 -14.467 11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.361 -13.273 10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.126 -14.007 9.087 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.494 -14.419 9.363 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.976 -15.904 10.190 1.00 0.00 H new ATOM 772 N GLY A 53 0.656 -12.857 7.576 1.00 0.00 N ATOM 773 CA GLY A 53 0.689 -13.004 6.130 1.00 0.00 C ATOM 774 C GLY A 53 -0.599 -12.597 5.432 1.00 0.00 C ATOM 775 O GLY A 53 -0.866 -11.412 5.238 1.00 0.00 O ATOM 0 H GLY A 53 0.855 -11.917 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.509 -12.405 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.908 -14.044 5.887 1.00 0.00 H new ATOM 779 N ALA A 54 -1.398 -13.590 5.052 1.00 0.00 N ATOM 780 CA ALA A 54 -2.656 -13.365 4.369 1.00 0.00 C ATOM 781 C ALA A 54 -2.522 -12.342 3.228 1.00 0.00 C ATOM 782 O ALA A 54 -1.850 -12.627 2.238 1.00 0.00 O ATOM 783 CB ALA A 54 -3.692 -12.997 5.391 1.00 0.00 C ATOM 0 H ALA A 54 -1.185 -14.575 5.212 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.977 -14.280 3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.647 -12.824 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.799 -13.809 6.110 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.384 -12.090 5.911 1.00 0.00 H new ATOM 789 N ALA A 55 -3.135 -11.151 3.340 1.00 0.00 N ATOM 790 CA ALA A 55 -3.016 -10.147 2.283 1.00 0.00 C ATOM 791 C ALA A 55 -1.559 -9.906 2.008 1.00 0.00 C ATOM 792 O ALA A 55 -1.136 -9.681 0.881 1.00 0.00 O ATOM 793 CB ALA A 55 -3.734 -8.866 2.637 1.00 0.00 C ATOM 0 H ALA A 55 -3.706 -10.869 4.137 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.498 -10.523 1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.620 -8.148 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.793 -9.073 2.792 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.308 -8.451 3.550 1.00 0.00 H new ATOM 799 N GLU A 56 -0.803 -9.987 3.078 1.00 0.00 N ATOM 800 CA GLU A 56 0.640 -9.820 3.025 1.00 0.00 C ATOM 801 C GLU A 56 1.198 -10.827 2.016 1.00 0.00 C ATOM 802 O GLU A 56 2.167 -10.559 1.305 1.00 0.00 O ATOM 803 CB GLU A 56 1.223 -10.031 4.418 1.00 0.00 C ATOM 804 CG GLU A 56 2.556 -9.335 4.639 1.00 0.00 C ATOM 805 CD GLU A 56 3.721 -10.305 4.688 1.00 0.00 C ATOM 806 OE1 GLU A 56 4.009 -10.832 5.784 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.344 -10.540 3.632 1.00 0.00 O ATOM 0 H GLU A 56 -1.167 -10.171 4.013 1.00 0.00 H new ATOM 0 HA GLU A 56 0.911 -8.814 2.704 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.509 -9.671 5.159 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.349 -11.100 4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.722 -8.614 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.517 -8.772 5.572 1.00 0.00 H new ATOM 814 N SER A 57 0.502 -11.955 1.922 1.00 0.00 N ATOM 815 CA SER A 57 0.804 -13.008 0.967 1.00 0.00 C ATOM 816 C SER A 57 0.255 -12.544 -0.359 1.00 0.00 C ATOM 817 O SER A 57 0.929 -12.611 -1.386 1.00 0.00 O ATOM 818 CB SER A 57 0.165 -14.334 1.386 1.00 0.00 C ATOM 819 OG SER A 57 0.949 -15.435 0.960 1.00 0.00 O ATOM 0 H SER A 57 -0.299 -12.164 2.517 1.00 0.00 H new ATOM 0 HA SER A 57 1.878 -13.188 0.911 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.053 -14.361 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.836 -14.410 0.960 1.00 0.00 H new ATOM 0 HG SER A 57 0.520 -16.270 1.241 1.00 0.00 H new ATOM 825 N ASP A 58 -0.948 -11.953 -0.300 1.00 0.00 N ATOM 826 CA ASP A 58 -1.541 -11.348 -1.470 1.00 0.00 C ATOM 827 C ASP A 58 -0.576 -10.271 -1.922 1.00 0.00 C ATOM 828 O ASP A 58 -0.573 -9.850 -3.078 1.00 0.00 O ATOM 829 CB ASP A 58 -2.914 -10.753 -1.140 1.00 0.00 C ATOM 830 CG ASP A 58 -3.437 -9.834 -2.222 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.099 -10.051 -3.405 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.187 -8.896 -1.883 1.00 0.00 O ATOM 0 H ASP A 58 -1.515 -11.889 0.546 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.705 -12.084 -2.257 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.626 -11.563 -0.984 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.848 -10.201 -0.203 1.00 0.00 H new ATOM 837 N GLY A 59 0.243 -9.821 -0.962 1.00 0.00 N ATOM 838 CA GLY A 59 1.205 -8.783 -1.248 1.00 0.00 C ATOM 839 C GLY A 59 0.511 -7.469 -1.415 1.00 0.00 C ATOM 840 O GLY A 59 0.701 -6.789 -2.411 1.00 0.00 O ATOM 0 H GLY A 59 0.249 -10.161 -0.000 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.933 -8.718 -0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.758 -9.029 -2.155 1.00 0.00 H new ATOM 844 N ARG A 60 -0.294 -7.127 -0.421 1.00 0.00 N ATOM 845 CA ARG A 60 -1.053 -5.890 -0.424 1.00 0.00 C ATOM 846 C ARG A 60 -0.601 -5.054 0.745 1.00 0.00 C ATOM 847 O ARG A 60 -1.386 -4.703 1.626 1.00 0.00 O ATOM 848 CB ARG A 60 -2.551 -6.195 -0.326 1.00 0.00 C ATOM 849 CG ARG A 60 -3.434 -4.957 -0.313 1.00 0.00 C ATOM 850 CD ARG A 60 -4.767 -5.217 -0.999 1.00 0.00 C ATOM 851 NE ARG A 60 -5.860 -5.382 -0.041 1.00 0.00 N ATOM 852 CZ ARG A 60 -6.772 -4.447 0.224 1.00 0.00 C ATOM 853 NH1 ARG A 60 -6.711 -3.257 -0.361 1.00 0.00 N ATOM 854 NH2 ARG A 60 -7.749 -4.703 1.083 1.00 0.00 N ATOM 0 H ARG A 60 -0.438 -7.701 0.410 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.882 -5.343 -1.351 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.839 -6.825 -1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.736 -6.770 0.581 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.608 -4.644 0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.920 -4.136 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.996 -4.389 -1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.688 -6.113 -1.615 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.929 -6.270 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.961 -3.051 -1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -7.414 -2.549 -0.151 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -7.801 -5.614 1.539 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.448 -3.989 1.288 1.00 0.00 H new ATOM 868 N ILE A 61 0.691 -4.798 0.772 1.00 0.00 N ATOM 869 CA ILE A 61 1.295 -4.097 1.817 1.00 0.00 C ATOM 870 C ILE A 61 1.353 -2.610 1.615 1.00 0.00 C ATOM 871 O ILE A 61 1.636 -2.113 0.527 1.00 0.00 O ATOM 872 CB ILE A 61 2.706 -4.592 2.012 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.375 -5.058 0.707 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.697 -5.713 3.021 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.391 -4.013 -0.389 1.00 0.00 C ATOM 0 H ILE A 61 1.338 -5.090 0.040 1.00 0.00 H new ATOM 0 HA ILE A 61 0.668 -4.282 2.689 1.00 0.00 H new ATOM 0 HB ILE A 61 3.299 -3.752 2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.401 -5.357 0.924 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.856 -5.944 0.342 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.713 -6.078 3.169 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.302 -5.347 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.069 -6.526 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.880 -4.421 -1.274 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.368 -3.730 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.937 -3.134 -0.046 1.00 0.00 H new ATOM 887 N HIS A 62 1.134 -1.937 2.725 1.00 0.00 N ATOM 888 CA HIS A 62 1.185 -0.500 2.837 1.00 0.00 C ATOM 889 C HIS A 62 -0.043 0.006 3.565 1.00 0.00 C ATOM 890 O HIS A 62 -1.149 0.002 3.025 1.00 0.00 O ATOM 891 CB HIS A 62 1.330 0.228 1.500 1.00 0.00 C ATOM 892 CG HIS A 62 2.758 0.498 1.142 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.586 -0.449 0.578 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.513 1.613 1.291 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.787 0.070 0.398 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.769 1.320 0.821 1.00 0.00 N ATOM 0 H HIS A 62 0.907 -2.397 3.607 1.00 0.00 H new ATOM 0 HA HIS A 62 2.089 -0.276 3.404 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.869 -0.370 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.786 1.171 1.544 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.314 -1.402 0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.187 2.557 1.703 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.639 -0.442 -0.024 1.00 0.00 H new ATOM 905 N LYS A 63 0.162 0.442 4.789 1.00 0.00 N ATOM 906 CA LYS A 63 -0.922 0.961 5.603 1.00 0.00 C ATOM 907 C LYS A 63 -1.142 2.418 5.277 1.00 0.00 C ATOM 908 O LYS A 63 -0.296 3.257 5.589 1.00 0.00 O ATOM 909 CB LYS A 63 -0.593 0.807 7.085 1.00 0.00 C ATOM 910 CG LYS A 63 0.768 1.368 7.468 1.00 0.00 C ATOM 911 CD LYS A 63 0.674 2.297 8.667 1.00 0.00 C ATOM 912 CE LYS A 63 1.933 3.136 8.821 1.00 0.00 C ATOM 913 NZ LYS A 63 1.631 4.501 9.335 1.00 0.00 N ATOM 0 H LYS A 63 1.074 0.448 5.247 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.830 0.398 5.387 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.362 1.308 7.673 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.628 -0.250 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.449 0.548 7.695 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.191 1.908 6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.190 2.952 8.554 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.513 1.710 9.572 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.622 2.636 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.437 3.214 7.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.515 5.041 9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.994 4.988 8.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.173 4.428 10.266 1.00 0.00 H new ATOM 927 N GLY A 64 -2.257 2.737 4.630 1.00 0.00 N ATOM 928 CA GLY A 64 -2.476 4.120 4.284 1.00 0.00 C ATOM 929 C GLY A 64 -1.685 4.492 3.065 1.00 0.00 C ATOM 930 O GLY A 64 -0.459 4.542 3.099 1.00 0.00 O ATOM 0 H GLY A 64 -2.989 2.084 4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.537 4.291 4.102 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.189 4.759 5.119 1.00 0.00 H new ATOM 934 N ASP A 65 -2.393 4.711 1.978 1.00 0.00 N ATOM 935 CA ASP A 65 -1.751 5.050 0.706 1.00 0.00 C ATOM 936 C ASP A 65 -2.787 5.312 -0.378 1.00 0.00 C ATOM 937 O ASP A 65 -3.972 5.434 -0.069 1.00 0.00 O ATOM 938 CB ASP A 65 -0.835 3.913 0.307 1.00 0.00 C ATOM 939 CG ASP A 65 0.623 4.323 0.285 1.00 0.00 C ATOM 940 OD1 ASP A 65 0.976 5.218 -0.511 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.412 3.754 1.069 1.00 0.00 O ATOM 0 H ASP A 65 -3.411 4.663 1.939 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.171 5.965 0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.966 3.084 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.122 3.549 -0.680 1.00 0.00 H new ATOM 946 N ARG A 66 -2.372 5.431 -1.652 1.00 0.00 N ATOM 947 CA ARG A 66 -3.369 5.702 -2.682 1.00 0.00 C ATOM 948 C ARG A 66 -3.337 4.796 -3.928 1.00 0.00 C ATOM 949 O ARG A 66 -2.475 4.914 -4.792 1.00 0.00 O ATOM 950 CB ARG A 66 -3.259 7.160 -3.129 1.00 0.00 C ATOM 951 CG ARG A 66 -3.152 8.148 -1.978 1.00 0.00 C ATOM 952 CD ARG A 66 -1.781 8.806 -1.932 1.00 0.00 C ATOM 953 NE ARG A 66 -1.519 9.607 -3.125 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.999 10.834 -3.316 1.00 0.00 C ATOM 955 NH1 ARG A 66 -2.767 11.404 -2.395 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.711 11.492 -4.430 1.00 0.00 N ATOM 0 H ARG A 66 -1.408 5.348 -1.974 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.320 5.482 -2.198 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.385 7.268 -3.771 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.131 7.412 -3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.921 8.914 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.341 7.633 -1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.712 9.439 -1.048 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.013 8.038 -1.835 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.933 9.202 -3.855 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.992 10.902 -1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.132 12.344 -2.546 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.122 11.058 -5.141 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.079 12.432 -4.577 1.00 0.00 H new ATOM 970 N VAL A 67 -4.349 3.941 -4.016 1.00 0.00 N ATOM 971 CA VAL A 67 -4.594 3.046 -5.077 1.00 0.00 C ATOM 972 C VAL A 67 -5.280 3.633 -6.264 1.00 0.00 C ATOM 973 O VAL A 67 -6.229 4.409 -6.154 1.00 0.00 O ATOM 974 CB VAL A 67 -5.469 1.895 -4.641 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.583 0.754 -4.459 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.256 2.173 -3.398 1.00 0.00 C ATOM 0 H VAL A 67 -5.054 3.871 -3.282 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.589 2.737 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.226 1.707 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.165 -0.112 -4.142 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.081 0.529 -5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.839 0.989 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.860 1.301 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.574 2.390 -2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.908 3.030 -3.564 1.00 0.00 H new ATOM 986 N LEU A 68 -4.840 3.164 -7.404 1.00 0.00 N ATOM 987 CA LEU A 68 -5.465 3.548 -8.636 1.00 0.00 C ATOM 988 C LEU A 68 -6.660 2.628 -8.866 1.00 0.00 C ATOM 989 O LEU A 68 -7.768 3.096 -9.125 1.00 0.00 O ATOM 990 CB LEU A 68 -4.487 3.484 -9.815 1.00 0.00 C ATOM 991 CG LEU A 68 -4.025 2.084 -10.221 1.00 0.00 C ATOM 992 CD1 LEU A 68 -5.023 1.445 -11.178 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.646 2.149 -10.857 1.00 0.00 C ATOM 0 H LEU A 68 -4.056 2.519 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.795 4.585 -8.567 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.957 3.956 -10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.608 4.078 -9.566 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.968 1.466 -9.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.676 0.450 -11.455 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.995 1.368 -10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.113 2.060 -12.074 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.329 1.146 -11.141 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.684 2.783 -11.743 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.935 2.565 -10.143 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.444 1.311 -8.724 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.522 0.350 -8.871 1.00 0.00 C ATOM 1007 C ALA A 69 -7.467 -0.643 -7.737 1.00 0.00 C ATOM 1008 O ALA A 69 -6.384 -0.990 -7.292 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.446 -0.354 -10.217 1.00 0.00 C ATOM 0 H ALA A 69 -5.536 0.900 -8.509 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.475 0.878 -8.834 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.265 -1.068 -10.301 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.523 0.382 -11.017 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.495 -0.881 -10.299 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.610 -1.123 -7.301 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.670 -2.108 -6.247 1.00 0.00 C ATOM 1017 C VAL A 70 -9.407 -3.335 -6.756 1.00 0.00 C ATOM 1018 O VAL A 70 -10.332 -3.223 -7.558 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.339 -1.549 -4.996 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.793 -1.312 -5.290 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.149 -2.485 -3.815 1.00 0.00 C ATOM 0 H VAL A 70 -9.520 -0.842 -7.666 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.654 -2.386 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.875 -0.602 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.283 -0.912 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.887 -0.599 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.265 -2.253 -5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.635 -2.064 -2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.591 -3.455 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.084 -2.609 -3.617 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.967 -4.500 -6.326 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.552 -5.759 -6.784 1.00 0.00 C ATOM 1033 C ASN A 71 -9.627 -5.782 -8.305 1.00 0.00 C ATOM 1034 O ASN A 71 -10.342 -6.593 -8.893 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.946 -5.920 -6.216 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.643 -7.184 -6.688 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -10.994 -8.160 -7.065 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.970 -7.171 -6.670 1.00 0.00 N ATOM 0 H ASN A 71 -8.204 -4.609 -5.658 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.921 -6.578 -6.440 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.889 -5.929 -5.128 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.547 -5.055 -6.496 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.492 -7.992 -6.977 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -13.468 -6.340 -6.350 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.897 -4.874 -8.939 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.925 -4.807 -10.387 1.00 0.00 C ATOM 1047 C GLY A 72 -9.789 -3.669 -10.882 1.00 0.00 C ATOM 1048 O GLY A 72 -9.619 -3.199 -12.007 1.00 0.00 O ATOM 0 H GLY A 72 -8.293 -4.190 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.910 -4.683 -10.764 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.301 -5.749 -10.787 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.699 -3.199 -10.032 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.556 -2.086 -10.395 1.00 0.00 C ATOM 1054 C VAL A 73 -10.838 -0.799 -10.059 1.00 0.00 C ATOM 1055 O VAL A 73 -10.159 -0.720 -9.050 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.941 -2.111 -9.673 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.738 -0.842 -9.965 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.728 -3.347 -10.084 1.00 0.00 C ATOM 0 H VAL A 73 -10.857 -3.572 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.761 -2.164 -11.463 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.763 -2.152 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.697 -0.888 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.180 0.027 -9.616 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.907 -0.757 -11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.691 -3.352 -9.573 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.889 -3.334 -11.162 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.169 -4.242 -9.811 1.00 0.00 H new ATOM 1068 N SER A 74 -10.993 0.214 -10.882 1.00 0.00 N ATOM 1069 CA SER A 74 -10.342 1.476 -10.600 1.00 0.00 C ATOM 1070 C SER A 74 -11.170 2.177 -9.550 1.00 0.00 C ATOM 1071 O SER A 74 -12.326 2.521 -9.805 1.00 0.00 O ATOM 1072 CB SER A 74 -10.243 2.333 -11.866 1.00 0.00 C ATOM 1073 OG SER A 74 -11.508 2.859 -12.225 1.00 0.00 O ATOM 0 H SER A 74 -11.552 0.193 -11.735 1.00 0.00 H new ATOM 0 HA SER A 74 -9.325 1.310 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.539 3.149 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.849 1.732 -12.686 1.00 0.00 H new ATOM 0 HG SER A 74 -12.187 2.537 -11.596 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.613 2.378 -8.353 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.360 3.006 -7.332 1.00 0.00 C ATOM 1081 C LEU A 75 -11.010 4.451 -7.341 1.00 0.00 C ATOM 1082 O LEU A 75 -10.269 4.932 -6.500 1.00 0.00 O ATOM 1083 CB LEU A 75 -11.021 2.397 -5.980 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.564 2.590 -5.567 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.448 2.782 -4.064 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.719 1.418 -6.025 1.00 0.00 C ATOM 0 H LEU A 75 -9.662 2.110 -8.098 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.427 2.869 -7.505 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.666 2.839 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.244 1.330 -6.006 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.190 3.492 -6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.401 2.917 -3.794 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.017 3.662 -3.765 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.843 1.904 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.684 1.575 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.095 0.500 -5.573 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.770 1.335 -7.111 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.560 5.153 -8.282 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.289 6.550 -8.371 1.00 0.00 C ATOM 1100 C GLU A 76 -12.361 7.305 -7.602 1.00 0.00 C ATOM 1101 O GLU A 76 -12.824 8.366 -8.021 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.240 7.012 -9.829 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.689 8.418 -10.004 1.00 0.00 C ATOM 1104 CD GLU A 76 -11.431 9.206 -11.065 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -11.554 8.702 -12.202 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -11.889 10.327 -10.761 1.00 0.00 O ATOM 0 H GLU A 76 -12.193 4.785 -8.992 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.311 6.755 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.626 6.316 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.245 6.970 -10.249 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.749 8.949 -9.054 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.634 8.360 -10.271 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.786 6.703 -6.495 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.836 7.255 -5.692 1.00 0.00 C ATOM 1115 C GLY A 77 -15.091 6.428 -5.825 1.00 0.00 C ATOM 1116 O GLY A 77 -16.161 6.811 -5.352 1.00 0.00 O ATOM 0 H GLY A 77 -12.405 5.824 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.524 7.289 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.035 8.282 -5.999 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.942 5.273 -6.470 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.044 4.359 -6.674 1.00 0.00 C ATOM 1122 C ALA A 78 -16.393 3.665 -5.380 1.00 0.00 C ATOM 1123 O ALA A 78 -17.552 3.692 -4.969 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.703 3.341 -7.751 1.00 0.00 C ATOM 0 H ALA A 78 -14.056 4.953 -6.861 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.911 4.930 -7.007 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.545 2.662 -7.890 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.496 3.858 -8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.824 2.772 -7.448 1.00 0.00 H new ATOM 1130 N THR A 79 -15.399 3.033 -4.732 1.00 0.00 N ATOM 1131 CA THR A 79 -15.641 2.335 -3.499 1.00 0.00 C ATOM 1132 C THR A 79 -17.060 1.982 -3.352 1.00 0.00 C ATOM 1133 O THR A 79 -17.488 0.990 -3.924 1.00 0.00 O ATOM 1134 CB THR A 79 -15.161 3.112 -2.298 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.011 4.492 -2.577 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.875 2.572 -1.871 1.00 0.00 C ATOM 0 H THR A 79 -14.432 3.002 -5.055 1.00 0.00 H new ATOM 0 HA THR A 79 -15.060 1.414 -3.545 1.00 0.00 H new ATOM 0 HB THR A 79 -15.911 3.012 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.017 4.998 -1.738 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.518 3.126 -1.003 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.991 1.521 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.154 2.665 -2.683 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.775 2.780 -2.570 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.172 2.522 -2.330 1.00 0.00 C ATOM 1146 C HIS A 80 -19.467 1.073 -2.701 1.00 0.00 C ATOM 1147 O HIS A 80 -19.495 0.197 -1.839 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.029 3.536 -3.098 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.388 3.053 -3.455 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.782 2.351 -4.517 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.516 3.285 -2.697 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.138 2.157 -4.408 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.558 2.733 -3.295 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.405 3.605 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.423 2.649 -1.277 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.125 4.440 -2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.505 3.816 -4.012 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.544 3.830 -1.765 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.757 1.623 -5.114 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.520 2.749 -2.956 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.633 0.812 -3.982 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.838 -0.549 -4.439 1.00 0.00 C ATOM 1164 C LYS A 81 -18.535 -1.354 -4.639 1.00 0.00 C ATOM 1165 O LYS A 81 -18.315 -2.403 -4.038 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.632 -0.540 -5.745 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.019 -1.926 -6.232 1.00 0.00 C ATOM 1168 CD LYS A 81 -22.429 -2.295 -5.798 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.720 -3.767 -6.043 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.956 -4.213 -5.343 1.00 0.00 N ATOM 0 H LYS A 81 -19.630 1.517 -4.720 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.391 -1.051 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.536 0.053 -5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.041 -0.045 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.950 -1.963 -7.319 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.313 -2.660 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.556 -2.069 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -23.150 -1.685 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.826 -3.943 -7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -21.875 -4.366 -5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.119 -5.222 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -23.846 -4.069 -4.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -24.768 -3.660 -5.685 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.710 -0.849 -5.567 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.479 -1.531 -6.015 1.00 0.00 C ATOM 1186 C GLN A 82 -15.309 -1.599 -5.073 1.00 0.00 C ATOM 1187 O GLN A 82 -14.769 -2.678 -4.856 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.947 -0.832 -7.276 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.032 -0.425 -8.254 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.485 0.248 -9.496 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.647 1.147 -9.411 1.00 0.00 O ATOM 1192 NE2 GLN A 82 -16.958 -0.183 -10.660 1.00 0.00 N ATOM 0 H GLN A 82 -17.874 0.044 -6.031 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.822 -2.558 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.387 0.055 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.247 -1.497 -7.781 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.601 -1.308 -8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.727 0.252 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.652 -0.930 -10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.627 0.233 -11.530 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.851 -0.467 -4.593 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.641 -0.497 -3.767 1.00 0.00 C ATOM 1203 C ALA A 83 -13.860 -0.984 -2.378 1.00 0.00 C ATOM 1204 O ALA A 83 -13.150 -1.860 -1.887 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.857 0.805 -3.820 1.00 0.00 C ATOM 0 H ALA A 83 -15.266 0.453 -4.743 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.009 -1.256 -4.229 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.972 0.723 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.553 1.005 -4.847 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.483 1.622 -3.462 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.846 -0.451 -1.761 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.158 -0.849 -0.423 1.00 0.00 C ATOM 1213 C VAL A 84 -15.538 -2.309 -0.411 1.00 0.00 C ATOM 1214 O VAL A 84 -15.152 -3.068 0.481 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.286 0.001 0.184 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.151 0.578 -0.905 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -17.131 -0.819 1.141 1.00 0.00 C ATOM 0 H VAL A 84 -15.458 0.264 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.272 -0.691 0.192 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.829 0.817 0.744 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.945 1.177 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.544 1.206 -1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.591 -0.231 -1.488 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.921 -0.193 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.576 -1.658 0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.504 -1.195 1.949 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.293 -2.698 -1.421 1.00 0.00 N ATOM 1228 CA GLU A 85 -16.721 -4.086 -1.530 1.00 0.00 C ATOM 1229 C GLU A 85 -15.542 -5.019 -1.661 1.00 0.00 C ATOM 1230 O GLU A 85 -15.576 -6.144 -1.165 1.00 0.00 O ATOM 1231 CB GLU A 85 -17.561 -4.306 -2.763 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.511 -5.486 -2.657 1.00 0.00 C ATOM 1233 CD GLU A 85 -19.320 -5.699 -3.921 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -18.720 -5.697 -5.017 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -20.553 -5.868 -3.816 1.00 0.00 O ATOM 0 H GLU A 85 -16.620 -2.086 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.288 -4.293 -0.622 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.139 -3.404 -2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.902 -4.458 -3.618 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.940 -6.389 -2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.189 -5.327 -1.818 1.00 0.00 H new ATOM 1242 N THR A 86 -14.522 -4.580 -2.384 1.00 0.00 N ATOM 1243 CA THR A 86 -13.389 -5.449 -2.613 1.00 0.00 C ATOM 1244 C THR A 86 -12.600 -5.689 -1.338 1.00 0.00 C ATOM 1245 O THR A 86 -12.133 -6.796 -1.090 1.00 0.00 O ATOM 1246 CB THR A 86 -12.452 -4.954 -3.721 1.00 0.00 C ATOM 1247 OG1 THR A 86 -11.110 -5.305 -3.417 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.481 -3.466 -3.970 1.00 0.00 C ATOM 0 H THR A 86 -14.459 -3.655 -2.809 1.00 0.00 H new ATOM 0 HA THR A 86 -13.817 -6.392 -2.952 1.00 0.00 H new ATOM 0 HB THR A 86 -12.820 -5.441 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.022 -6.281 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.785 -3.217 -4.771 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.488 -3.165 -4.258 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.191 -2.939 -3.061 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.458 -4.655 -0.529 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.729 -4.786 0.726 1.00 0.00 C ATOM 1258 C LEU A 87 -12.429 -5.812 1.599 1.00 0.00 C ATOM 1259 O LEU A 87 -11.797 -6.622 2.275 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.647 -3.437 1.444 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.290 -2.260 0.539 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.942 -0.976 1.031 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.780 -2.094 0.450 1.00 0.00 C ATOM 0 H LEU A 87 -12.832 -3.724 -0.712 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.711 -5.117 0.521 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.606 -3.235 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.904 -3.507 2.238 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.674 -2.472 -0.459 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.671 -0.154 0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.025 -1.097 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.597 -0.757 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.544 -1.251 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.375 -1.910 1.445 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.338 -3.002 0.040 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.751 -5.765 1.552 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.590 -6.685 2.309 1.00 0.00 C ATOM 1277 C ARG A 88 -14.654 -8.052 1.670 1.00 0.00 C ATOM 1278 O ARG A 88 -14.830 -9.051 2.369 1.00 0.00 O ATOM 1279 CB ARG A 88 -15.999 -6.114 2.475 1.00 0.00 C ATOM 1280 CG ARG A 88 -16.863 -6.905 3.443 1.00 0.00 C ATOM 1281 CD ARG A 88 -18.192 -6.212 3.700 1.00 0.00 C ATOM 1282 NE ARG A 88 -18.096 -5.218 4.767 1.00 0.00 N ATOM 1283 CZ ARG A 88 -17.790 -3.937 4.566 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -17.548 -3.483 3.343 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -17.724 -3.105 5.597 1.00 0.00 N ATOM 0 H ARG A 88 -14.272 -5.091 0.991 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.133 -6.802 3.292 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.926 -5.084 2.824 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.489 -6.087 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -17.043 -7.902 3.040 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.331 -7.034 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.531 -5.728 2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.943 -6.956 3.965 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.274 -5.524 5.724 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.595 -4.117 2.545 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -17.315 -2.500 3.201 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.907 -3.447 6.540 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.490 -2.124 5.446 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.557 -8.116 0.351 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.658 -9.392 -0.309 1.00 0.00 C ATOM 1301 C ASN A 89 -13.318 -9.955 -0.756 1.00 0.00 C ATOM 1302 O ASN A 89 -13.234 -11.103 -1.194 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.601 -9.281 -1.492 1.00 0.00 C ATOM 1304 CG ASN A 89 -16.931 -9.965 -1.249 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.783 -9.453 -0.521 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.118 -11.130 -1.858 1.00 0.00 N ATOM 0 H ASN A 89 -14.412 -7.316 -0.264 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.051 -10.095 0.425 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -15.774 -8.228 -1.715 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.127 -9.719 -2.371 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -17.994 -11.637 -1.731 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -16.386 -11.518 -2.452 1.00 0.00 H new ATOM 1313 N THR A 90 -12.288 -9.147 -0.643 1.00 0.00 N ATOM 1314 CA THR A 90 -10.932 -9.544 -1.027 1.00 0.00 C ATOM 1315 C THR A 90 -10.670 -10.999 -0.654 1.00 0.00 C ATOM 1316 O THR A 90 -11.324 -11.543 0.236 1.00 0.00 O ATOM 1317 CB THR A 90 -9.904 -8.643 -0.343 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.417 -8.128 0.872 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.479 -7.470 -1.196 1.00 0.00 C ATOM 0 H THR A 90 -12.356 -8.195 -0.284 1.00 0.00 H new ATOM 0 HA THR A 90 -10.839 -9.438 -2.108 1.00 0.00 H new ATOM 0 HB THR A 90 -9.035 -9.277 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.532 -7.158 0.794 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.749 -6.871 -0.652 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.032 -7.835 -2.121 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.349 -6.857 -1.431 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.716 -11.630 -1.329 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.420 -13.017 -1.022 1.00 0.00 C ATOM 1329 C GLY A 91 -9.900 -13.978 -2.095 1.00 0.00 C ATOM 1330 O GLY A 91 -9.096 -14.707 -2.674 1.00 0.00 O ATOM 0 H GLY A 91 -9.151 -11.216 -2.070 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.344 -13.133 -0.893 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.885 -13.280 -0.072 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.212 -13.982 -2.376 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.771 -14.867 -3.407 1.00 0.00 C ATOM 1336 C GLN A 92 -10.799 -14.962 -4.574 1.00 0.00 C ATOM 1337 O GLN A 92 -10.586 -16.024 -5.155 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.125 -14.342 -3.889 1.00 0.00 C ATOM 1339 CG GLN A 92 -13.075 -12.913 -4.405 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.425 -12.417 -4.883 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.465 -12.795 -4.343 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.417 -11.567 -5.903 1.00 0.00 N ATOM 0 H GLN A 92 -11.898 -13.389 -1.909 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.922 -15.859 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.497 -14.993 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.840 -14.398 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.711 -12.258 -3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.359 -12.852 -5.224 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.532 -11.280 -6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.296 -11.201 -6.269 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.189 -13.821 -4.864 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.225 -13.649 -5.854 1.00 0.00 C ATOM 1353 C VAL A 93 -9.045 -12.172 -6.030 1.00 0.00 C ATOM 1354 O VAL A 93 -9.929 -11.475 -6.530 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.567 -14.317 -7.151 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.591 -13.536 -7.968 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.260 -14.460 -7.840 1.00 0.00 C ATOM 0 H VAL A 93 -10.393 -12.957 -4.361 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.299 -14.131 -5.539 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.056 -15.280 -7.001 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.799 -14.069 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.512 -13.433 -7.394 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -10.195 -12.547 -8.198 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.409 -14.942 -8.806 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.818 -13.475 -7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.592 -15.068 -7.230 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.944 -11.677 -5.524 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.720 -10.277 -5.534 1.00 0.00 C ATOM 1369 C VAL A 94 -6.554 -9.860 -6.389 1.00 0.00 C ATOM 1370 O VAL A 94 -5.461 -10.425 -6.356 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.480 -9.773 -4.139 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -6.027 -9.421 -4.051 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.385 -8.594 -3.791 1.00 0.00 C ATOM 0 H VAL A 94 -7.198 -12.231 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.623 -9.841 -5.961 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.729 -10.541 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.803 -9.048 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.425 -10.307 -4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.794 -8.651 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.176 -8.263 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.198 -7.774 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.428 -8.901 -3.866 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.831 -8.818 -7.089 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.874 -8.139 -7.943 1.00 0.00 C ATOM 1385 C HIS A 95 -5.934 -6.641 -7.719 1.00 0.00 C ATOM 1386 O HIS A 95 -6.973 -6.029 -7.942 1.00 0.00 O ATOM 1387 CB HIS A 95 -6.103 -8.532 -9.378 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.647 -9.927 -9.560 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.328 -10.997 -9.061 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.500 -10.417 -10.039 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.593 -12.071 -9.227 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.497 -11.748 -9.831 1.00 0.00 N ATOM 0 H HIS A 95 -7.755 -8.387 -7.095 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.861 -8.448 -7.685 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.159 -8.442 -9.631 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.557 -7.865 -10.045 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -7.253 -10.968 -8.631 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.713 -9.846 -10.510 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.861 -13.068 -8.909 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.856 -6.048 -7.231 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.860 -4.664 -6.943 1.00 0.00 C ATOM 1403 C LEU A 96 -3.749 -3.865 -7.519 1.00 0.00 C ATOM 1404 O LEU A 96 -2.606 -4.246 -7.460 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.813 -4.467 -5.455 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.985 -3.701 -5.045 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.449 -4.069 -3.644 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.743 -2.205 -5.212 1.00 0.00 C ATOM 0 H LEU A 96 -3.976 -6.524 -7.033 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.776 -4.302 -7.410 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.796 -5.431 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.901 -3.941 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.807 -3.969 -5.709 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.324 -3.473 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.708 -5.127 -3.613 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.648 -3.870 -2.932 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.631 -1.656 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.895 -1.903 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.530 -1.985 -6.258 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.122 -2.689 -7.969 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.166 -1.728 -8.450 1.00 0.00 C ATOM 1422 C LEU A 97 -3.162 -0.541 -7.497 1.00 0.00 C ATOM 1423 O LEU A 97 -4.162 0.164 -7.364 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.516 -1.280 -9.857 1.00 0.00 C ATOM 1425 CG LEU A 97 -3.027 -2.232 -10.924 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.543 -1.826 -12.296 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.507 -2.283 -10.901 1.00 0.00 C ATOM 0 H LEU A 97 -5.092 -2.376 -8.010 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.175 -2.180 -8.487 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.598 -1.176 -9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.087 -0.294 -10.035 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.416 -3.229 -10.715 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.176 -2.528 -13.045 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.633 -1.836 -12.292 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.190 -0.823 -12.535 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.154 -2.970 -11.671 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.107 -1.287 -11.092 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.169 -2.629 -9.924 1.00 0.00 H new ATOM 1439 N LEU A 98 -2.042 -0.350 -6.818 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.894 0.726 -5.835 1.00 0.00 C ATOM 1441 C LEU A 98 -0.900 1.768 -6.275 1.00 0.00 C ATOM 1442 O LEU A 98 0.037 1.480 -7.011 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.456 0.127 -4.503 1.00 0.00 C ATOM 1444 CG LEU A 98 -0.068 0.532 -3.986 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.170 1.789 -3.130 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.505 -0.640 -3.219 1.00 0.00 C ATOM 0 H LEU A 98 -1.210 -0.930 -6.928 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.859 1.222 -5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.193 0.401 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.481 -0.959 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 98 0.601 0.773 -4.812 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.821 2.065 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.579 2.604 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.825 1.598 -2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.493 -0.379 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -0.151 -0.884 -2.384 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.587 -1.503 -3.880 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.096 2.977 -5.779 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.185 4.067 -6.088 1.00 0.00 C ATOM 1460 C GLU A 99 0.322 4.746 -4.827 1.00 0.00 C ATOM 1461 O GLU A 99 -0.414 5.422 -4.110 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.814 5.096 -7.020 1.00 0.00 C ATOM 1463 CG GLU A 99 -1.637 4.488 -8.141 1.00 0.00 C ATOM 1464 CD GLU A 99 -1.402 5.174 -9.473 1.00 0.00 C ATOM 1465 OE1 GLU A 99 -0.292 5.030 -10.027 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -2.328 5.855 -9.961 1.00 0.00 O ATOM 0 H GLU A 99 -1.871 3.229 -5.165 1.00 0.00 H new ATOM 0 HA GLU A 99 0.663 3.620 -6.606 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.450 5.761 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.024 5.710 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -1.393 3.430 -8.233 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -2.695 4.550 -7.886 1.00 0.00 H new ATOM 1473 N LYS A 100 1.596 4.543 -4.574 1.00 0.00 N ATOM 1474 CA LYS A 100 2.256 5.100 -3.414 1.00 0.00 C ATOM 1475 C LYS A 100 2.339 6.614 -3.486 1.00 0.00 C ATOM 1476 O LYS A 100 3.055 7.171 -4.318 1.00 0.00 O ATOM 1477 CB LYS A 100 3.646 4.488 -3.305 1.00 0.00 C ATOM 1478 CG LYS A 100 3.912 3.865 -1.951 1.00 0.00 C ATOM 1479 CD LYS A 100 2.854 2.824 -1.623 1.00 0.00 C ATOM 1480 CE LYS A 100 3.353 1.418 -1.897 1.00 0.00 C ATOM 1481 NZ LYS A 100 3.169 1.040 -3.323 1.00 0.00 N ATOM 0 H LYS A 100 2.206 3.984 -5.170 1.00 0.00 H new ATOM 0 HA LYS A 100 1.672 4.860 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.765 3.729 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.393 5.258 -3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.899 3.402 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.918 4.639 -1.184 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.568 2.912 -0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.959 3.015 -2.214 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.409 1.349 -1.635 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.820 0.712 -1.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.837 0.282 -3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.195 0.705 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.346 1.868 -3.927 1.00 0.00 H new ATOM 1495 N GLY A 101 1.606 7.276 -2.598 1.00 0.00 N ATOM 1496 CA GLY A 101 1.621 8.721 -2.573 1.00 0.00 C ATOM 1497 C GLY A 101 1.156 9.275 -1.247 1.00 0.00 C ATOM 1498 O GLY A 101 0.444 10.279 -1.193 1.00 0.00 O ATOM 0 H GLY A 101 1.005 6.838 -1.900 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.631 9.075 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.981 9.103 -3.369 1.00 0.00 H new ATOM 1502 N GLN A 102 1.556 8.607 -0.177 1.00 0.00 N ATOM 1503 CA GLN A 102 1.185 9.009 1.165 1.00 0.00 C ATOM 1504 C GLN A 102 1.806 10.355 1.529 1.00 0.00 C ATOM 1505 O GLN A 102 2.444 11.002 0.699 1.00 0.00 O ATOM 1506 CB GLN A 102 1.615 7.940 2.170 1.00 0.00 C ATOM 1507 CG GLN A 102 0.494 6.992 2.562 1.00 0.00 C ATOM 1508 CD GLN A 102 0.334 6.875 4.066 1.00 0.00 C ATOM 1509 OE1 GLN A 102 -0.783 6.852 4.583 1.00 0.00 O ATOM 1510 NE2 GLN A 102 1.455 6.802 4.776 1.00 0.00 N ATOM 0 H GLN A 102 2.144 7.775 -0.216 1.00 0.00 H new ATOM 0 HA GLN A 102 0.101 9.118 1.200 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.437 7.363 1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.998 8.428 3.066 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.442 7.341 2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.693 6.006 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.359 6.825 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 102 1.411 6.723 5.792 1.00 0.00 H new ATOM 1519 N SER A 103 1.612 10.769 2.777 1.00 0.00 N ATOM 1520 CA SER A 103 2.149 12.037 3.256 1.00 0.00 C ATOM 1521 C SER A 103 1.826 12.239 4.735 1.00 0.00 C ATOM 1522 O SER A 103 0.822 12.863 5.079 1.00 0.00 O ATOM 1523 CB SER A 103 1.585 13.199 2.436 1.00 0.00 C ATOM 1524 OG SER A 103 2.433 13.511 1.344 1.00 0.00 O ATOM 0 H SER A 103 1.086 10.244 3.476 1.00 0.00 H new ATOM 0 HA SER A 103 3.232 12.012 3.137 1.00 0.00 H new ATOM 0 HB2 SER A 103 0.592 12.940 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.470 14.076 3.073 1.00 0.00 H new ATOM 0 HG SER A 103 2.541 12.719 0.777 1.00 0.00 H new ATOM 1530 N PRO A 104 2.675 11.709 5.633 1.00 0.00 N ATOM 1531 CA PRO A 104 2.475 11.832 7.079 1.00 0.00 C ATOM 1532 C PRO A 104 2.351 13.258 7.530 1.00 0.00 C ATOM 1533 O PRO A 104 2.581 14.197 6.769 1.00 0.00 O ATOM 1534 CB PRO A 104 3.716 11.170 7.683 1.00 0.00 C ATOM 1535 CG PRO A 104 4.232 10.275 6.611 1.00 0.00 C ATOM 1536 CD PRO A 104 3.895 10.949 5.310 1.00 0.00 C ATOM 0 HA PRO A 104 1.542 11.364 7.394 1.00 0.00 H new ATOM 0 HB2 PRO A 104 4.460 11.913 7.970 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.465 10.606 8.582 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.308 10.130 6.708 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.771 9.289 6.670 1.00 0.00 H new ATOM 0 HD2 PRO A 104 4.700 11.603 4.974 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.720 10.225 4.514 1.00 0.00 H new ATOM 1544 N THR A 105 1.942 13.408 8.775 1.00 0.00 N ATOM 1545 CA THR A 105 1.735 14.715 9.333 1.00 0.00 C ATOM 1546 C THR A 105 3.022 15.535 9.324 1.00 0.00 C ATOM 1547 O THR A 105 3.149 16.503 8.575 1.00 0.00 O ATOM 1548 CB THR A 105 1.177 14.617 10.753 1.00 0.00 C ATOM 1549 OG1 THR A 105 0.560 13.359 10.963 1.00 0.00 O ATOM 1550 CG2 THR A 105 0.155 15.688 11.069 1.00 0.00 C ATOM 0 H THR A 105 1.749 12.636 9.413 1.00 0.00 H new ATOM 0 HA THR A 105 1.005 15.227 8.706 1.00 0.00 H new ATOM 0 HB THR A 105 2.035 14.751 11.411 1.00 0.00 H new ATOM 0 HG1 THR A 105 0.211 13.315 11.878 1.00 0.00 H new ATOM 0 HG21 THR A 105 -0.201 15.561 12.092 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.614 16.671 10.964 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.685 15.604 10.380 1.00 0.00 H new ATOM 1558 N SER A 106 3.975 15.139 10.162 1.00 0.00 N ATOM 1559 CA SER A 106 5.252 15.835 10.252 1.00 0.00 C ATOM 1560 C SER A 106 6.250 15.032 11.082 1.00 0.00 C ATOM 1561 O SER A 106 6.763 15.512 12.093 1.00 0.00 O ATOM 1562 CB SER A 106 5.059 17.223 10.865 1.00 0.00 C ATOM 1563 OG SER A 106 4.516 18.128 9.917 1.00 0.00 O ATOM 0 H SER A 106 3.886 14.339 10.789 1.00 0.00 H new ATOM 0 HA SER A 106 5.650 15.945 9.243 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.397 17.154 11.728 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.015 17.601 11.227 1.00 0.00 H new ATOM 0 HG SER A 106 4.271 17.641 9.103 1.00 0.00 H new ATOM 1569 N LYS A 107 6.519 13.804 10.647 1.00 0.00 N ATOM 1570 CA LYS A 107 7.455 12.931 11.348 1.00 0.00 C ATOM 1571 C LYS A 107 6.947 12.603 12.749 1.00 0.00 C ATOM 1572 O LYS A 107 7.307 13.267 13.721 1.00 0.00 O ATOM 1573 CB LYS A 107 8.835 13.587 11.433 1.00 0.00 C ATOM 1574 CG LYS A 107 9.894 12.696 12.061 1.00 0.00 C ATOM 1575 CD LYS A 107 10.174 13.091 13.502 1.00 0.00 C ATOM 1576 CE LYS A 107 11.653 12.980 13.834 1.00 0.00 C ATOM 1577 NZ LYS A 107 12.361 14.278 13.657 1.00 0.00 N ATOM 0 H LYS A 107 6.102 13.391 9.813 1.00 0.00 H new ATOM 0 HA LYS A 107 7.538 12.002 10.784 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.157 13.868 10.430 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.756 14.507 12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.565 11.658 12.025 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.814 12.759 11.480 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.838 14.114 13.672 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.601 12.452 14.173 1.00 0.00 H new ATOM 0 HE2 LYS A 107 11.769 12.640 14.863 1.00 0.00 H new ATOM 0 HE3 LYS A 107 12.113 12.226 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.367 14.160 13.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 12.272 14.590 12.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 11.939 14.992 14.285 1.00 0.00 H new ATOM 1591 N GLU A 108 6.110 11.575 12.842 1.00 0.00 N ATOM 1592 CA GLU A 108 5.552 11.158 14.123 1.00 0.00 C ATOM 1593 C GLU A 108 6.371 10.023 14.730 1.00 0.00 C ATOM 1594 O GLU A 108 6.089 9.642 15.885 1.00 0.00 O ATOM 1595 CB GLU A 108 4.097 10.717 13.951 1.00 0.00 C ATOM 1596 CG GLU A 108 3.430 10.297 15.250 1.00 0.00 C ATOM 1597 CD GLU A 108 1.937 10.080 15.095 1.00 0.00 C ATOM 1598 OE1 GLU A 108 1.488 9.839 13.955 1.00 0.00 O ATOM 1599 OE2 GLU A 108 1.218 10.152 16.113 1.00 0.00 O ATOM 1600 OXT GLU A 108 7.288 9.524 14.044 1.00 0.00 O ATOM 0 H GLU A 108 5.803 11.016 12.046 1.00 0.00 H new ATOM 0 HA GLU A 108 5.588 12.011 14.801 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.528 11.535 13.508 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.059 9.885 13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 108 3.892 9.378 15.611 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.606 11.060 16.008 1.00 0.00 H new TER 1607 GLU A 108