USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 602 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+ 180:sc= 0 (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 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -113:sc= -3.06 (180deg=-3.99!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00735 USER MOD Single : A 16 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 149:sc= -1.16 (180deg=-4.62!) USER MOD Single : A 23 ASN : amide:sc= -3.07! C(o=-3.1!,f=-5.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.807 (180deg=0.806) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot -160:sc= -0.0127 USER MOD Single : A 46 THR OG1 : rot 27:sc= 0.126 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.084 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= -0.0862 (180deg=-0.74) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.379 X(o=-0.38,f=0) USER MOD Single : A 77 SER OG : rot 70:sc= -0.814 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.0288 X(o=-0.029,f=-0.029) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 45:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.999 17.423 -20.842 1.00 0.00 N ATOM 2 CA GLY A 1 -4.547 16.119 -20.388 1.00 0.00 C ATOM 3 C GLY A 1 -4.613 15.091 -21.520 1.00 0.00 C ATOM 4 O GLY A 1 -3.653 14.925 -22.270 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.945 18.102 -20.056 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.394 17.748 -21.623 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.983 17.354 -21.172 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.524 16.193 -20.018 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.164 15.786 -19.553 1.00 0.00 H new ATOM 8 N SER A 2 -5.757 14.429 -21.609 1.00 0.00 N ATOM 9 CA SER A 2 -5.961 13.422 -22.637 1.00 0.00 C ATOM 10 C SER A 2 -4.814 12.411 -22.615 1.00 0.00 C ATOM 11 O SER A 2 -3.748 12.663 -23.172 1.00 0.00 O ATOM 12 CB SER A 2 -6.076 14.064 -24.021 1.00 0.00 C ATOM 13 OG SER A 2 -5.898 13.113 -25.067 1.00 0.00 O ATOM 0 H SER A 2 -6.552 14.570 -20.986 1.00 0.00 H new ATOM 0 HA SER A 2 -6.897 12.904 -22.427 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.054 14.535 -24.122 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.330 14.853 -24.118 1.00 0.00 H new ATOM 0 HG SER A 2 -5.980 13.562 -25.934 1.00 0.00 H new ATOM 18 N SER A 3 -5.072 11.286 -21.962 1.00 0.00 N ATOM 19 CA SER A 3 -4.075 10.235 -21.859 1.00 0.00 C ATOM 20 C SER A 3 -2.821 10.769 -21.164 1.00 0.00 C ATOM 21 O SER A 3 -1.934 11.322 -21.813 1.00 0.00 O ATOM 22 CB SER A 3 -3.719 9.676 -23.238 1.00 0.00 C ATOM 23 OG SER A 3 -2.848 8.551 -23.151 1.00 0.00 O ATOM 0 H SER A 3 -5.958 11.081 -21.499 1.00 0.00 H new ATOM 0 HA SER A 3 -4.495 9.423 -21.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.632 9.388 -23.759 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.245 10.456 -23.834 1.00 0.00 H new ATOM 0 HG SER A 3 -2.646 8.223 -24.052 1.00 0.00 H new ATOM 28 N GLY A 4 -2.788 10.587 -19.852 1.00 0.00 N ATOM 29 CA GLY A 4 -1.658 11.045 -19.061 1.00 0.00 C ATOM 30 C GLY A 4 -1.602 10.320 -17.715 1.00 0.00 C ATOM 31 O GLY A 4 -2.629 9.887 -17.195 1.00 0.00 O ATOM 0 H GLY A 4 -3.526 10.129 -19.317 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.732 10.873 -19.610 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.736 12.120 -18.896 1.00 0.00 H new ATOM 35 N SER A 5 -0.391 10.210 -17.188 1.00 0.00 N ATOM 36 CA SER A 5 -0.187 9.544 -15.913 1.00 0.00 C ATOM 37 C SER A 5 1.300 9.547 -15.553 1.00 0.00 C ATOM 38 O SER A 5 2.129 9.066 -16.324 1.00 0.00 O ATOM 39 CB SER A 5 -0.723 8.112 -15.946 1.00 0.00 C ATOM 40 OG SER A 5 -0.373 7.383 -14.773 1.00 0.00 O ATOM 0 H SER A 5 0.459 10.571 -17.621 1.00 0.00 H new ATOM 0 HA SER A 5 -0.740 10.091 -15.150 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.808 8.133 -16.049 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.330 7.598 -16.823 1.00 0.00 H new ATOM 0 HG SER A 5 -0.735 6.474 -14.832 1.00 0.00 H new ATOM 45 N SER A 6 1.592 10.092 -14.382 1.00 0.00 N ATOM 46 CA SER A 6 2.965 10.163 -13.910 1.00 0.00 C ATOM 47 C SER A 6 3.021 9.846 -12.414 1.00 0.00 C ATOM 48 O SER A 6 2.726 10.704 -11.583 1.00 0.00 O ATOM 49 CB SER A 6 3.570 11.541 -14.184 1.00 0.00 C ATOM 50 OG SER A 6 4.516 11.506 -15.250 1.00 0.00 O ATOM 0 H SER A 6 0.901 10.489 -13.745 1.00 0.00 H new ATOM 0 HA SER A 6 3.553 9.423 -14.453 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.774 12.244 -14.428 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.055 11.910 -13.280 1.00 0.00 H new ATOM 0 HG SER A 6 4.878 12.405 -15.395 1.00 0.00 H new ATOM 55 N GLY A 7 3.402 8.612 -12.117 1.00 0.00 N ATOM 56 CA GLY A 7 3.501 8.172 -10.736 1.00 0.00 C ATOM 57 C GLY A 7 4.061 6.750 -10.653 1.00 0.00 C ATOM 58 O GLY A 7 4.298 6.112 -11.677 1.00 0.00 O ATOM 0 H GLY A 7 3.646 7.903 -12.809 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.144 8.853 -10.179 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.517 8.207 -10.268 1.00 0.00 H new ATOM 62 N ILE A 8 4.257 6.297 -9.423 1.00 0.00 N ATOM 63 CA ILE A 8 4.785 4.963 -9.193 1.00 0.00 C ATOM 64 C ILE A 8 3.634 4.019 -8.838 1.00 0.00 C ATOM 65 O ILE A 8 3.047 4.127 -7.762 1.00 0.00 O ATOM 66 CB ILE A 8 5.896 5.001 -8.143 1.00 0.00 C ATOM 67 CG1 ILE A 8 7.068 5.865 -8.615 1.00 0.00 C ATOM 68 CG2 ILE A 8 6.342 3.587 -7.765 1.00 0.00 C ATOM 69 CD1 ILE A 8 7.585 6.753 -7.482 1.00 0.00 C ATOM 0 H ILE A 8 4.060 6.830 -8.576 1.00 0.00 H new ATOM 0 HA ILE A 8 5.249 4.574 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 8 5.497 5.465 -7.241 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.873 5.226 -8.977 1.00 0.00 H new ATOM 0 HG13 ILE A 8 6.752 6.486 -9.453 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.133 3.643 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.495 3.035 -7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.716 3.074 -8.651 1.00 0.00 H new ATOM 0 HD11 ILE A 8 8.417 7.357 -7.844 1.00 0.00 H new ATOM 0 HD12 ILE A 8 6.784 7.408 -7.139 1.00 0.00 H new ATOM 0 HD13 ILE A 8 7.922 6.128 -6.655 1.00 0.00 H new ATOM 80 N LYS A 9 3.347 3.114 -9.762 1.00 0.00 N ATOM 81 CA LYS A 9 2.278 2.151 -9.560 1.00 0.00 C ATOM 82 C LYS A 9 2.816 0.957 -8.767 1.00 0.00 C ATOM 83 O LYS A 9 3.811 0.348 -9.155 1.00 0.00 O ATOM 84 CB LYS A 9 1.644 1.765 -10.898 1.00 0.00 C ATOM 85 CG LYS A 9 2.519 0.761 -11.650 1.00 0.00 C ATOM 86 CD LYS A 9 1.862 0.337 -12.965 1.00 0.00 C ATOM 87 CE LYS A 9 1.147 1.517 -13.626 1.00 0.00 C ATOM 88 NZ LYS A 9 0.553 1.105 -14.917 1.00 0.00 N ATOM 0 H LYS A 9 3.836 3.027 -10.653 1.00 0.00 H new ATOM 0 HA LYS A 9 1.475 2.592 -8.969 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.657 1.336 -10.726 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.502 2.657 -11.508 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.494 1.204 -11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.691 -0.116 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.618 -0.060 -13.642 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.149 -0.466 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.368 1.895 -12.964 1.00 0.00 H new ATOM 0 HE3 LYS A 9 1.852 2.333 -13.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.072 1.917 -15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.304 0.766 -15.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.134 0.341 -14.755 1.00 0.00 H new ATOM 98 N ILE A 10 2.133 0.660 -7.671 1.00 0.00 N ATOM 99 CA ILE A 10 2.529 -0.450 -6.821 1.00 0.00 C ATOM 100 C ILE A 10 1.803 -1.718 -7.275 1.00 0.00 C ATOM 101 O ILE A 10 0.593 -1.843 -7.097 1.00 0.00 O ATOM 102 CB ILE A 10 2.300 -0.105 -5.349 1.00 0.00 C ATOM 103 CG1 ILE A 10 2.975 1.220 -4.985 1.00 0.00 C ATOM 104 CG2 ILE A 10 2.755 -1.248 -4.439 1.00 0.00 C ATOM 105 CD1 ILE A 10 2.698 1.595 -3.528 1.00 0.00 C ATOM 0 H ILE A 10 1.308 1.169 -7.352 1.00 0.00 H new ATOM 0 HA ILE A 10 3.598 -0.642 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 10 1.229 0.024 -5.192 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.050 1.141 -5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.612 2.010 -5.643 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.581 -0.976 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.191 -2.150 -4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.818 -1.434 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.189 2.540 -3.296 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.623 1.698 -3.377 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.084 0.815 -2.872 1.00 0.00 H new ATOM 116 N LEU A 11 2.575 -2.629 -7.852 1.00 0.00 N ATOM 117 CA LEU A 11 2.021 -3.883 -8.332 1.00 0.00 C ATOM 118 C LEU A 11 2.375 -5.001 -7.350 1.00 0.00 C ATOM 119 O LEU A 11 3.482 -5.034 -6.813 1.00 0.00 O ATOM 120 CB LEU A 11 2.480 -4.157 -9.766 1.00 0.00 C ATOM 121 CG LEU A 11 2.262 -3.022 -10.768 1.00 0.00 C ATOM 122 CD1 LEU A 11 2.467 -3.510 -12.203 1.00 0.00 C ATOM 123 CD2 LEU A 11 0.888 -2.375 -10.574 1.00 0.00 C ATOM 0 H LEU A 11 3.579 -2.523 -7.997 1.00 0.00 H new ATOM 0 HA LEU A 11 0.933 -3.827 -8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.543 -4.399 -9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.959 -5.042 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 11 3.010 -2.252 -10.579 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.306 -2.683 -12.895 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.484 -3.886 -12.318 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.758 -4.309 -12.421 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.759 -1.571 -11.299 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.109 -3.124 -10.720 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.816 -1.969 -9.565 1.00 0.00 H new ATOM 134 N MET A 12 1.415 -5.890 -7.142 1.00 0.00 N ATOM 135 CA MET A 12 1.611 -7.006 -6.233 1.00 0.00 C ATOM 136 C MET A 12 2.877 -7.788 -6.591 1.00 0.00 C ATOM 137 O MET A 12 2.944 -8.421 -7.642 1.00 0.00 O ATOM 138 CB MET A 12 0.400 -7.939 -6.300 1.00 0.00 C ATOM 139 CG MET A 12 0.643 -9.214 -5.490 1.00 0.00 C ATOM 140 SD MET A 12 0.599 -8.845 -3.745 1.00 0.00 S ATOM 141 CE MET A 12 -1.162 -8.910 -3.459 1.00 0.00 C ATOM 0 H MET A 12 0.498 -5.860 -7.588 1.00 0.00 H new ATOM 0 HA MET A 12 1.722 -6.612 -5.223 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.482 -7.424 -5.918 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.193 -8.198 -7.338 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.115 -9.959 -5.732 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.609 -9.645 -5.755 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.527 -7.914 -3.210 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.664 -9.266 -4.359 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.372 -9.590 -2.633 1.00 0.00 H new ATOM 149 N PRO A 13 3.876 -7.715 -5.670 1.00 0.00 N ATOM 150 CA PRO A 13 5.136 -8.408 -5.877 1.00 0.00 C ATOM 151 C PRO A 13 4.980 -9.911 -5.641 1.00 0.00 C ATOM 152 O PRO A 13 3.977 -10.356 -5.085 1.00 0.00 O ATOM 153 CB PRO A 13 6.109 -7.752 -4.911 1.00 0.00 C ATOM 154 CG PRO A 13 5.252 -7.039 -3.876 1.00 0.00 C ATOM 155 CD PRO A 13 3.831 -6.974 -4.413 1.00 0.00 C ATOM 0 HA PRO A 13 5.498 -8.326 -6.902 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.753 -8.495 -4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.760 -7.049 -5.430 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.277 -7.573 -2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 13 5.635 -6.036 -3.688 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.123 -7.421 -3.715 1.00 0.00 H new ATOM 0 HD3 PRO A 13 3.514 -5.943 -4.572 1.00 0.00 H new ATOM 160 N SER A 14 5.989 -10.653 -6.074 1.00 0.00 N ATOM 161 CA SER A 14 5.977 -12.098 -5.916 1.00 0.00 C ATOM 162 C SER A 14 6.649 -12.486 -4.597 1.00 0.00 C ATOM 163 O SER A 14 7.612 -13.251 -4.589 1.00 0.00 O ATOM 164 CB SER A 14 6.676 -12.785 -7.090 1.00 0.00 C ATOM 165 OG SER A 14 7.921 -12.168 -7.406 1.00 0.00 O ATOM 0 H SER A 14 6.820 -10.281 -6.534 1.00 0.00 H new ATOM 0 HA SER A 14 4.940 -12.432 -5.899 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.843 -13.835 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.026 -12.758 -7.965 1.00 0.00 H new ATOM 0 HG SER A 14 8.337 -12.637 -8.160 1.00 0.00 H new ATOM 170 N LEU A 15 6.113 -11.941 -3.514 1.00 0.00 N ATOM 171 CA LEU A 15 6.649 -12.221 -2.193 1.00 0.00 C ATOM 172 C LEU A 15 6.929 -13.719 -2.068 1.00 0.00 C ATOM 173 O LEU A 15 8.005 -14.119 -1.625 1.00 0.00 O ATOM 174 CB LEU A 15 5.715 -11.677 -1.110 1.00 0.00 C ATOM 175 CG LEU A 15 5.581 -10.155 -1.041 1.00 0.00 C ATOM 176 CD1 LEU A 15 4.394 -9.747 -0.168 1.00 0.00 C ATOM 177 CD2 LEU A 15 6.888 -9.512 -0.567 1.00 0.00 C ATOM 0 H LEU A 15 5.314 -11.307 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 15 7.599 -11.706 -2.050 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.724 -12.102 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.066 -12.035 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 15 5.383 -9.784 -2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.322 -8.660 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.476 -10.159 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.536 -10.131 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.767 -8.429 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.139 -9.887 0.425 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.689 -9.762 -1.262 1.00 0.00 H new ATOM 188 N SER A 16 5.942 -14.509 -2.465 1.00 0.00 N ATOM 189 CA SER A 16 6.069 -15.955 -2.404 1.00 0.00 C ATOM 190 C SER A 16 6.770 -16.473 -3.661 1.00 0.00 C ATOM 191 O SER A 16 6.763 -15.811 -4.698 1.00 0.00 O ATOM 192 CB SER A 16 4.702 -16.622 -2.245 1.00 0.00 C ATOM 193 OG SER A 16 4.630 -17.421 -1.068 1.00 0.00 O ATOM 0 H SER A 16 5.050 -14.175 -2.830 1.00 0.00 H new ATOM 0 HA SER A 16 6.670 -16.208 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.927 -15.856 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.498 -17.243 -3.117 1.00 0.00 H new ATOM 0 HG SER A 16 3.741 -17.828 -1.003 1.00 0.00 H new ATOM 198 N PRO A 17 7.374 -17.684 -3.525 1.00 0.00 N ATOM 199 CA PRO A 17 8.077 -18.299 -4.638 1.00 0.00 C ATOM 200 C PRO A 17 7.092 -18.866 -5.662 1.00 0.00 C ATOM 201 O PRO A 17 7.333 -18.794 -6.867 1.00 0.00 O ATOM 202 CB PRO A 17 8.957 -19.365 -4.006 1.00 0.00 C ATOM 203 CG PRO A 17 8.374 -19.624 -2.626 1.00 0.00 C ATOM 204 CD PRO A 17 7.402 -18.497 -2.313 1.00 0.00 C ATOM 0 HA PRO A 17 8.680 -17.586 -5.201 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.960 -20.275 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.991 -19.027 -3.936 1.00 0.00 H new ATOM 0 HG2 PRO A 17 7.863 -20.587 -2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 17 9.166 -19.664 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.412 -18.884 -2.073 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.734 -17.915 -1.453 1.00 0.00 H new ATOM 209 N THR A 18 6.005 -19.419 -5.147 1.00 0.00 N ATOM 210 CA THR A 18 4.983 -19.999 -6.002 1.00 0.00 C ATOM 211 C THR A 18 3.600 -19.468 -5.616 1.00 0.00 C ATOM 212 O THR A 18 2.683 -20.246 -5.361 1.00 0.00 O ATOM 213 CB THR A 18 5.097 -21.521 -5.910 1.00 0.00 C ATOM 214 OG1 THR A 18 4.884 -21.803 -4.529 1.00 0.00 O ATOM 215 CG2 THR A 18 6.520 -22.020 -6.176 1.00 0.00 C ATOM 0 H THR A 18 5.809 -19.478 -4.148 1.00 0.00 H new ATOM 0 HA THR A 18 5.128 -19.711 -7.043 1.00 0.00 H new ATOM 0 HB THR A 18 4.412 -21.979 -6.624 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.939 -22.770 -4.380 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.545 -23.107 -6.098 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.829 -21.721 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.200 -21.588 -5.442 1.00 0.00 H new ATOM 223 N MET A 19 3.496 -18.148 -5.585 1.00 0.00 N ATOM 224 CA MET A 19 2.241 -17.505 -5.236 1.00 0.00 C ATOM 225 C MET A 19 1.541 -16.954 -6.479 1.00 0.00 C ATOM 226 O MET A 19 2.171 -16.311 -7.316 1.00 0.00 O ATOM 227 CB MET A 19 2.509 -16.363 -4.253 1.00 0.00 C ATOM 228 CG MET A 19 1.492 -15.235 -4.433 1.00 0.00 C ATOM 229 SD MET A 19 1.750 -13.977 -3.193 1.00 0.00 S ATOM 230 CE MET A 19 1.301 -12.524 -4.127 1.00 0.00 C ATOM 0 H MET A 19 4.260 -17.506 -5.796 1.00 0.00 H new ATOM 0 HA MET A 19 1.590 -18.248 -4.776 1.00 0.00 H new ATOM 0 HB2 MET A 19 2.463 -16.740 -3.231 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.517 -15.977 -4.405 1.00 0.00 H new ATOM 0 HG2 MET A 19 1.590 -14.802 -5.428 1.00 0.00 H new ATOM 0 HG3 MET A 19 0.480 -15.631 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.876 -11.777 -3.456 1.00 0.00 H new ATOM 0 HE2 MET A 19 2.188 -12.114 -4.611 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.565 -12.792 -4.885 1.00 0.00 H new ATOM 238 N GLU A 20 0.247 -17.228 -6.560 1.00 0.00 N ATOM 239 CA GLU A 20 -0.545 -16.769 -7.688 1.00 0.00 C ATOM 240 C GLU A 20 -1.236 -15.447 -7.348 1.00 0.00 C ATOM 241 O GLU A 20 -1.543 -14.656 -8.238 1.00 0.00 O ATOM 242 CB GLU A 20 -1.566 -17.829 -8.109 1.00 0.00 C ATOM 243 CG GLU A 20 -1.380 -18.217 -9.578 1.00 0.00 C ATOM 244 CD GLU A 20 -1.676 -19.702 -9.794 1.00 0.00 C ATOM 245 OE1 GLU A 20 -0.941 -20.519 -9.201 1.00 0.00 O ATOM 246 OE2 GLU A 20 -2.631 -19.986 -10.550 1.00 0.00 O ATOM 0 H GLU A 20 -0.272 -17.762 -5.863 1.00 0.00 H new ATOM 0 HA GLU A 20 0.124 -16.601 -8.532 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.459 -18.712 -7.480 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.576 -17.448 -7.955 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.041 -17.616 -10.203 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.359 -17.997 -9.890 1.00 0.00 H new ATOM 251 N GLU A 21 -1.461 -15.249 -6.057 1.00 0.00 N ATOM 252 CA GLU A 21 -2.111 -14.036 -5.588 1.00 0.00 C ATOM 253 C GLU A 21 -1.880 -13.858 -4.086 1.00 0.00 C ATOM 254 O GLU A 21 -1.372 -14.760 -3.421 1.00 0.00 O ATOM 255 CB GLU A 21 -3.605 -14.054 -5.915 1.00 0.00 C ATOM 256 CG GLU A 21 -4.343 -15.082 -5.056 1.00 0.00 C ATOM 257 CD GLU A 21 -5.229 -15.982 -5.919 1.00 0.00 C ATOM 258 OE1 GLU A 21 -6.233 -15.455 -6.445 1.00 0.00 O ATOM 259 OE2 GLU A 21 -4.883 -17.178 -6.033 1.00 0.00 O ATOM 0 H GLU A 21 -1.205 -15.908 -5.321 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.669 -13.185 -6.107 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.029 -13.064 -5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.747 -14.288 -6.970 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.622 -15.691 -4.511 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.954 -14.569 -4.313 1.00 0.00 H new ATOM 264 N GLY A 22 -2.264 -12.689 -3.596 1.00 0.00 N ATOM 265 CA GLY A 22 -2.106 -12.381 -2.185 1.00 0.00 C ATOM 266 C GLY A 22 -3.344 -11.670 -1.636 1.00 0.00 C ATOM 267 O GLY A 22 -4.284 -11.391 -2.379 1.00 0.00 O ATOM 0 H GLY A 22 -2.684 -11.943 -4.151 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.933 -13.300 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.228 -11.751 -2.043 1.00 0.00 H new ATOM 271 N ASN A 23 -3.305 -11.396 -0.340 1.00 0.00 N ATOM 272 CA ASN A 23 -4.412 -10.723 0.316 1.00 0.00 C ATOM 273 C ASN A 23 -3.865 -9.752 1.364 1.00 0.00 C ATOM 274 O ASN A 23 -3.147 -10.158 2.276 1.00 0.00 O ATOM 275 CB ASN A 23 -5.321 -11.726 1.031 1.00 0.00 C ATOM 276 CG ASN A 23 -5.275 -13.093 0.345 1.00 0.00 C ATOM 277 OD1 ASN A 23 -5.312 -13.209 -0.869 1.00 0.00 O ATOM 278 ND2 ASN A 23 -5.193 -14.118 1.188 1.00 0.00 N ATOM 0 H ASN A 23 -2.524 -11.628 0.273 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.985 -10.196 -0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.011 -11.826 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -6.345 -11.353 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.157 -15.072 0.829 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.166 -13.950 2.194 1.00 0.00 H new ATOM 284 N ILE A 24 -4.224 -8.487 1.197 1.00 0.00 N ATOM 285 CA ILE A 24 -3.778 -7.455 2.116 1.00 0.00 C ATOM 286 C ILE A 24 -4.559 -7.571 3.426 1.00 0.00 C ATOM 287 O ILE A 24 -5.774 -7.382 3.447 1.00 0.00 O ATOM 288 CB ILE A 24 -3.876 -6.076 1.463 1.00 0.00 C ATOM 289 CG1 ILE A 24 -2.874 -5.940 0.314 1.00 0.00 C ATOM 290 CG2 ILE A 24 -3.712 -4.963 2.499 1.00 0.00 C ATOM 291 CD1 ILE A 24 -3.595 -5.780 -1.026 1.00 0.00 C ATOM 0 H ILE A 24 -4.819 -8.154 0.438 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.724 -7.593 2.359 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.873 -5.973 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.229 -5.079 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.230 -6.819 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.786 -3.994 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.496 -5.048 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.737 -5.053 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.860 -5.685 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.220 -6.654 -1.209 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.219 -4.887 -0.999 1.00 0.00 H new ATOM 302 N VAL A 25 -3.830 -7.883 4.487 1.00 0.00 N ATOM 303 CA VAL A 25 -4.440 -8.027 5.799 1.00 0.00 C ATOM 304 C VAL A 25 -4.770 -6.642 6.357 1.00 0.00 C ATOM 305 O VAL A 25 -5.929 -6.346 6.647 1.00 0.00 O ATOM 306 CB VAL A 25 -3.523 -8.838 6.716 1.00 0.00 C ATOM 307 CG1 VAL A 25 -4.173 -9.060 8.084 1.00 0.00 C ATOM 308 CG2 VAL A 25 -3.140 -10.170 6.069 1.00 0.00 C ATOM 0 H VAL A 25 -2.822 -8.040 4.466 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.376 -8.580 5.727 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.609 -8.264 6.868 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.500 -9.639 8.717 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.372 -8.096 8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.110 -9.603 7.958 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.488 -10.727 6.742 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.041 -10.752 5.873 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.618 -9.982 5.131 1.00 0.00 H new ATOM 318 N LYS A 26 -3.733 -5.830 6.493 1.00 0.00 N ATOM 319 CA LYS A 26 -3.898 -4.483 7.012 1.00 0.00 C ATOM 320 C LYS A 26 -2.813 -3.578 6.426 1.00 0.00 C ATOM 321 O LYS A 26 -1.653 -3.976 6.329 1.00 0.00 O ATOM 322 CB LYS A 26 -3.925 -4.497 8.542 1.00 0.00 C ATOM 323 CG LYS A 26 -4.161 -3.093 9.100 1.00 0.00 C ATOM 324 CD LYS A 26 -4.876 -3.152 10.451 1.00 0.00 C ATOM 325 CE LYS A 26 -3.879 -3.026 11.605 1.00 0.00 C ATOM 326 NZ LYS A 26 -4.346 -2.020 12.585 1.00 0.00 N ATOM 0 H LYS A 26 -2.774 -6.079 6.252 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.859 -4.072 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.712 -5.167 8.889 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -2.982 -4.889 8.922 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.207 -2.577 9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.756 -2.513 8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.612 -2.350 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.421 -4.092 10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.758 -3.992 12.096 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.901 -2.740 11.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.658 -1.947 13.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.439 -1.096 12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.269 -2.309 12.966 1.00 0.00 H new ATOM 336 N TRP A 27 -3.229 -2.377 6.048 1.00 0.00 N ATOM 337 CA TRP A 27 -2.307 -1.413 5.473 1.00 0.00 C ATOM 338 C TRP A 27 -1.505 -0.786 6.616 1.00 0.00 C ATOM 339 O TRP A 27 -2.078 -0.194 7.530 1.00 0.00 O ATOM 340 CB TRP A 27 -3.053 -0.378 4.629 1.00 0.00 C ATOM 341 CG TRP A 27 -3.238 -0.784 3.166 1.00 0.00 C ATOM 342 CD1 TRP A 27 -4.245 -1.484 2.626 1.00 0.00 C ATOM 343 CD2 TRP A 27 -2.347 -0.487 2.071 1.00 0.00 C ATOM 344 NE1 TRP A 27 -4.069 -1.659 1.268 1.00 0.00 N ATOM 345 CE2 TRP A 27 -2.878 -1.033 0.920 1.00 0.00 C ATOM 346 CE3 TRP A 27 -1.132 0.221 2.053 1.00 0.00 C ATOM 347 CZ2 TRP A 27 -2.263 -0.928 -0.333 1.00 0.00 C ATOM 348 CZ3 TRP A 27 -0.529 0.316 0.793 1.00 0.00 C ATOM 349 CH2 TRP A 27 -1.051 -0.228 -0.374 1.00 0.00 C ATOM 0 H TRP A 27 -4.192 -2.051 6.129 1.00 0.00 H new ATOM 0 HA TRP A 27 -1.614 -1.902 4.789 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.033 -0.201 5.073 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -2.510 0.566 4.667 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -5.089 -1.864 3.183 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -4.697 -2.156 0.637 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -0.698 0.657 2.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -2.700 -1.363 -1.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.407 0.849 0.723 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -0.524 -0.111 -1.309 1.00 0.00 H new ATOM 359 N LEU A 28 -0.192 -0.938 6.527 1.00 0.00 N ATOM 360 CA LEU A 28 0.695 -0.394 7.542 1.00 0.00 C ATOM 361 C LEU A 28 0.897 1.101 7.289 1.00 0.00 C ATOM 362 O LEU A 28 1.536 1.788 8.084 1.00 0.00 O ATOM 363 CB LEU A 28 1.999 -1.192 7.596 1.00 0.00 C ATOM 364 CG LEU A 28 1.866 -2.673 7.954 1.00 0.00 C ATOM 365 CD1 LEU A 28 3.232 -3.287 8.267 1.00 0.00 C ATOM 366 CD2 LEU A 28 0.871 -2.873 9.099 1.00 0.00 C ATOM 0 H LEU A 28 0.279 -1.430 5.768 1.00 0.00 H new ATOM 0 HA LEU A 28 0.248 -0.491 8.531 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.488 -1.116 6.625 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.660 -0.721 8.324 1.00 0.00 H new ATOM 0 HG LEU A 28 1.468 -3.200 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.108 -4.340 8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.880 -3.195 7.396 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.682 -2.763 9.110 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.795 -3.935 9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.215 -2.330 9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.107 -2.497 8.801 1.00 0.00 H new ATOM 377 N LYS A 29 0.341 1.560 6.178 1.00 0.00 N ATOM 378 CA LYS A 29 0.453 2.962 5.809 1.00 0.00 C ATOM 379 C LYS A 29 -0.938 3.512 5.488 1.00 0.00 C ATOM 380 O LYS A 29 -1.848 2.754 5.157 1.00 0.00 O ATOM 381 CB LYS A 29 1.462 3.138 4.673 1.00 0.00 C ATOM 382 CG LYS A 29 2.882 2.816 5.145 1.00 0.00 C ATOM 383 CD LYS A 29 3.782 4.049 5.053 1.00 0.00 C ATOM 384 CE LYS A 29 5.245 3.646 4.848 1.00 0.00 C ATOM 385 NZ LYS A 29 6.148 4.626 5.492 1.00 0.00 N ATOM 0 H LYS A 29 -0.188 0.987 5.521 1.00 0.00 H new ATOM 0 HA LYS A 29 0.843 3.546 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.195 2.487 3.841 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.422 4.162 4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.855 2.457 6.174 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.297 2.012 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.456 4.681 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.688 4.641 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.417 2.654 5.266 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.466 3.585 3.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.136 4.347 5.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.983 5.569 5.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.960 4.652 6.515 1.00 0.00 H new ATOM 395 N LYS A 30 -1.058 4.828 5.595 1.00 0.00 N ATOM 396 CA LYS A 30 -2.322 5.489 5.321 1.00 0.00 C ATOM 397 C LYS A 30 -2.171 6.374 4.082 1.00 0.00 C ATOM 398 O LYS A 30 -1.059 6.598 3.606 1.00 0.00 O ATOM 399 CB LYS A 30 -2.813 6.242 6.558 1.00 0.00 C ATOM 400 CG LYS A 30 -3.123 5.274 7.702 1.00 0.00 C ATOM 401 CD LYS A 30 -4.620 4.964 7.768 1.00 0.00 C ATOM 402 CE LYS A 30 -5.056 4.671 9.204 1.00 0.00 C ATOM 403 NZ LYS A 30 -6.419 4.094 9.224 1.00 0.00 N ATOM 0 H LYS A 30 -0.300 5.454 5.868 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.095 4.754 5.097 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.055 6.957 6.877 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.707 6.814 6.309 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.562 4.350 7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.795 5.706 8.648 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.187 5.808 7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.846 4.107 7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.355 3.978 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.035 5.589 9.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.700 3.901 10.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.087 4.768 8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.429 3.207 8.681 1.00 0.00 H new ATOM 413 N GLU A 31 -3.305 6.853 3.594 1.00 0.00 N ATOM 414 CA GLU A 31 -3.314 7.708 2.419 1.00 0.00 C ATOM 415 C GLU A 31 -2.762 9.091 2.767 1.00 0.00 C ATOM 416 O GLU A 31 -3.236 9.737 3.701 1.00 0.00 O ATOM 417 CB GLU A 31 -4.720 7.812 1.826 1.00 0.00 C ATOM 418 CG GLU A 31 -4.973 6.692 0.815 1.00 0.00 C ATOM 419 CD GLU A 31 -6.252 6.952 0.017 1.00 0.00 C ATOM 420 OE1 GLU A 31 -6.461 8.128 -0.352 1.00 0.00 O ATOM 421 OE2 GLU A 31 -6.991 5.970 -0.209 1.00 0.00 O ATOM 0 H GLU A 31 -4.226 6.665 3.991 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.670 7.260 1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.460 7.760 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.843 8.780 1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -4.125 6.613 0.134 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.053 5.738 1.336 1.00 0.00 H new ATOM 426 N GLY A 32 -1.766 9.508 1.996 1.00 0.00 N ATOM 427 CA GLY A 32 -1.144 10.803 2.212 1.00 0.00 C ATOM 428 C GLY A 32 0.186 10.656 2.952 1.00 0.00 C ATOM 429 O GLY A 32 1.042 11.538 2.879 1.00 0.00 O ATOM 0 H GLY A 32 -1.375 8.971 1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.978 11.295 1.254 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.815 11.441 2.786 1.00 0.00 H new ATOM 433 N GLU A 33 0.320 9.537 3.647 1.00 0.00 N ATOM 434 CA GLU A 33 1.532 9.263 4.400 1.00 0.00 C ATOM 435 C GLU A 33 2.725 9.119 3.452 1.00 0.00 C ATOM 436 O GLU A 33 2.550 9.027 2.239 1.00 0.00 O ATOM 437 CB GLU A 33 1.369 8.014 5.268 1.00 0.00 C ATOM 438 CG GLU A 33 0.446 8.290 6.457 1.00 0.00 C ATOM 439 CD GLU A 33 0.732 7.323 7.608 1.00 0.00 C ATOM 440 OE1 GLU A 33 1.928 7.032 7.822 1.00 0.00 O ATOM 441 OE2 GLU A 33 -0.254 6.896 8.248 1.00 0.00 O ATOM 0 H GLU A 33 -0.391 8.808 3.705 1.00 0.00 H new ATOM 0 HA GLU A 33 1.720 10.106 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.962 7.200 4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.344 7.687 5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.582 9.317 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.594 8.193 6.145 1.00 0.00 H new ATOM 446 N ALA A 34 3.911 9.106 4.042 1.00 0.00 N ATOM 447 CA ALA A 34 5.132 8.975 3.265 1.00 0.00 C ATOM 448 C ALA A 34 5.500 7.494 3.147 1.00 0.00 C ATOM 449 O ALA A 34 4.985 6.662 3.893 1.00 0.00 O ATOM 450 CB ALA A 34 6.242 9.802 3.918 1.00 0.00 C ATOM 0 H ALA A 34 4.053 9.184 5.049 1.00 0.00 H new ATOM 0 HA ALA A 34 4.989 9.360 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.159 9.705 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 34 5.943 10.850 3.952 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.416 9.441 4.932 1.00 0.00 H new ATOM 456 N VAL A 35 6.387 7.212 2.205 1.00 0.00 N ATOM 457 CA VAL A 35 6.830 5.847 1.979 1.00 0.00 C ATOM 458 C VAL A 35 8.324 5.848 1.647 1.00 0.00 C ATOM 459 O VAL A 35 8.793 6.693 0.886 1.00 0.00 O ATOM 460 CB VAL A 35 5.976 5.192 0.891 1.00 0.00 C ATOM 461 CG1 VAL A 35 6.274 3.696 0.786 1.00 0.00 C ATOM 462 CG2 VAL A 35 4.487 5.438 1.142 1.00 0.00 C ATOM 0 H VAL A 35 6.811 7.906 1.589 1.00 0.00 H new ATOM 0 HA VAL A 35 6.698 5.249 2.881 1.00 0.00 H new ATOM 0 HB VAL A 35 6.236 5.653 -0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.654 3.255 0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.326 3.551 0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.055 3.214 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.902 4.962 0.355 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.206 5.017 2.108 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.290 6.510 1.143 1.00 0.00 H new ATOM 472 N SER A 36 9.028 4.891 2.233 1.00 0.00 N ATOM 473 CA SER A 36 10.459 4.771 2.008 1.00 0.00 C ATOM 474 C SER A 36 10.817 3.321 1.675 1.00 0.00 C ATOM 475 O SER A 36 10.464 2.405 2.416 1.00 0.00 O ATOM 476 CB SER A 36 11.250 5.246 3.229 1.00 0.00 C ATOM 477 OG SER A 36 10.629 6.357 3.869 1.00 0.00 O ATOM 0 H SER A 36 8.635 4.192 2.863 1.00 0.00 H new ATOM 0 HA SER A 36 10.727 5.407 1.165 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.346 4.425 3.940 1.00 0.00 H new ATOM 0 HB3 SER A 36 12.259 5.522 2.922 1.00 0.00 H new ATOM 0 HG SER A 36 11.164 6.629 4.644 1.00 0.00 H new ATOM 482 N ALA A 37 11.512 3.159 0.559 1.00 0.00 N ATOM 483 CA ALA A 37 11.922 1.836 0.119 1.00 0.00 C ATOM 484 C ALA A 37 12.480 1.056 1.310 1.00 0.00 C ATOM 485 O ALA A 37 13.286 1.580 2.077 1.00 0.00 O ATOM 486 CB ALA A 37 12.936 1.968 -1.019 1.00 0.00 C ATOM 0 H ALA A 37 11.802 3.921 -0.054 1.00 0.00 H new ATOM 0 HA ALA A 37 11.069 1.279 -0.268 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.244 0.976 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.480 2.503 -1.852 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.808 2.520 -0.667 1.00 0.00 H new ATOM 492 N GLY A 38 12.029 -0.184 1.429 1.00 0.00 N ATOM 493 CA GLY A 38 12.474 -1.041 2.515 1.00 0.00 C ATOM 494 C GLY A 38 11.624 -0.824 3.768 1.00 0.00 C ATOM 495 O GLY A 38 12.070 -1.103 4.881 1.00 0.00 O ATOM 0 H GLY A 38 11.360 -0.616 0.791 1.00 0.00 H new ATOM 0 HA2 GLY A 38 12.414 -2.085 2.207 1.00 0.00 H new ATOM 0 HA3 GLY A 38 13.520 -0.835 2.741 1.00 0.00 H new ATOM 499 N ASP A 39 10.416 -0.326 3.547 1.00 0.00 N ATOM 500 CA ASP A 39 9.500 -0.068 4.645 1.00 0.00 C ATOM 501 C ASP A 39 8.230 -0.898 4.450 1.00 0.00 C ATOM 502 O ASP A 39 7.730 -1.022 3.333 1.00 0.00 O ATOM 503 CB ASP A 39 9.098 1.407 4.691 1.00 0.00 C ATOM 504 CG ASP A 39 10.178 2.356 5.217 1.00 0.00 C ATOM 505 OD1 ASP A 39 11.362 2.088 4.919 1.00 0.00 O ATOM 506 OD2 ASP A 39 9.795 3.326 5.905 1.00 0.00 O ATOM 0 H ASP A 39 10.050 -0.094 2.623 1.00 0.00 H new ATOM 0 HA ASP A 39 10.004 -0.334 5.574 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.816 1.723 3.687 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.211 1.507 5.317 1.00 0.00 H new ATOM 510 N ALA A 40 7.744 -1.445 5.554 1.00 0.00 N ATOM 511 CA ALA A 40 6.542 -2.261 5.518 1.00 0.00 C ATOM 512 C ALA A 40 5.346 -1.382 5.143 1.00 0.00 C ATOM 513 O ALA A 40 5.004 -0.448 5.870 1.00 0.00 O ATOM 514 CB ALA A 40 6.354 -2.954 6.869 1.00 0.00 C ATOM 0 H ALA A 40 8.160 -1.339 6.479 1.00 0.00 H new ATOM 0 HA ALA A 40 6.630 -3.040 4.761 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.452 -3.566 6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.216 -3.588 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.259 -2.203 7.653 1.00 0.00 H new ATOM 520 N LEU A 41 4.742 -1.711 4.011 1.00 0.00 N ATOM 521 CA LEU A 41 3.592 -0.964 3.532 1.00 0.00 C ATOM 522 C LEU A 41 2.311 -1.615 4.057 1.00 0.00 C ATOM 523 O LEU A 41 1.479 -0.949 4.672 1.00 0.00 O ATOM 524 CB LEU A 41 3.635 -0.834 2.008 1.00 0.00 C ATOM 525 CG LEU A 41 4.438 0.347 1.458 1.00 0.00 C ATOM 526 CD1 LEU A 41 4.655 0.208 -0.050 1.00 0.00 C ATOM 527 CD2 LEU A 41 3.775 1.677 1.821 1.00 0.00 C ATOM 0 H LEU A 41 5.028 -2.485 3.411 1.00 0.00 H new ATOM 0 HA LEU A 41 3.613 0.055 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.051 -1.754 1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.612 -0.754 1.641 1.00 0.00 H new ATOM 0 HG LEU A 41 5.422 0.339 1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.228 1.060 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.202 -0.712 -0.256 1.00 0.00 H new ATOM 0 HD13 LEU A 41 3.690 0.177 -0.555 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.366 2.500 1.418 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.771 1.710 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.715 1.770 2.905 1.00 0.00 H new ATOM 538 N CYS A 42 2.192 -2.908 3.796 1.00 0.00 N ATOM 539 CA CYS A 42 1.026 -3.656 4.234 1.00 0.00 C ATOM 540 C CYS A 42 1.435 -5.118 4.419 1.00 0.00 C ATOM 541 O CYS A 42 2.571 -5.491 4.129 1.00 0.00 O ATOM 542 CB CYS A 42 -0.141 -3.509 3.256 1.00 0.00 C ATOM 543 SG CYS A 42 0.326 -4.177 1.619 1.00 0.00 S ATOM 0 H CYS A 42 2.884 -3.457 3.286 1.00 0.00 H new ATOM 0 HA CYS A 42 0.670 -3.256 5.184 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.015 -4.037 3.638 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.419 -2.459 3.164 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.464 -3.689 0.710 1.00 0.00 H new ATOM 548 N GLU A 43 0.487 -5.909 4.900 1.00 0.00 N ATOM 549 CA GLU A 43 0.734 -7.323 5.126 1.00 0.00 C ATOM 550 C GLU A 43 0.069 -8.161 4.032 1.00 0.00 C ATOM 551 O GLU A 43 -1.154 -8.152 3.897 1.00 0.00 O ATOM 552 CB GLU A 43 0.251 -7.749 6.514 1.00 0.00 C ATOM 553 CG GLU A 43 1.100 -7.106 7.612 1.00 0.00 C ATOM 554 CD GLU A 43 1.131 -7.984 8.865 1.00 0.00 C ATOM 555 OE1 GLU A 43 0.226 -7.800 9.707 1.00 0.00 O ATOM 556 OE2 GLU A 43 2.059 -8.816 8.953 1.00 0.00 O ATOM 0 H GLU A 43 -0.454 -5.597 5.140 1.00 0.00 H new ATOM 0 HA GLU A 43 1.810 -7.495 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.793 -7.464 6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.298 -8.834 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.115 -6.950 7.247 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.697 -6.125 7.861 1.00 0.00 H new ATOM 561 N ILE A 44 0.902 -8.862 3.280 1.00 0.00 N ATOM 562 CA ILE A 44 0.411 -9.703 2.201 1.00 0.00 C ATOM 563 C ILE A 44 0.221 -11.131 2.720 1.00 0.00 C ATOM 564 O ILE A 44 1.111 -11.683 3.364 1.00 0.00 O ATOM 565 CB ILE A 44 1.332 -9.608 0.984 1.00 0.00 C ATOM 566 CG1 ILE A 44 1.548 -8.151 0.573 1.00 0.00 C ATOM 567 CG2 ILE A 44 0.801 -10.457 -0.173 1.00 0.00 C ATOM 568 CD1 ILE A 44 0.475 -7.695 -0.420 1.00 0.00 C ATOM 0 H ILE A 44 1.915 -8.866 3.396 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.564 -9.354 1.860 1.00 0.00 H new ATOM 0 HB ILE A 44 2.306 -10.013 1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.525 -7.513 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.535 -8.039 0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.474 -10.372 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.740 -11.500 0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.191 -10.105 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.652 -6.655 -0.696 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.517 -8.319 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.509 -7.785 0.040 1.00 0.00 H new ATOM 579 N GLU A 45 -0.944 -11.685 2.419 1.00 0.00 N ATOM 580 CA GLU A 45 -1.261 -13.037 2.846 1.00 0.00 C ATOM 581 C GLU A 45 -0.728 -14.053 1.834 1.00 0.00 C ATOM 582 O GLU A 45 -0.953 -13.914 0.633 1.00 0.00 O ATOM 583 CB GLU A 45 -2.768 -13.208 3.053 1.00 0.00 C ATOM 584 CG GLU A 45 -3.072 -13.744 4.453 1.00 0.00 C ATOM 585 CD GLU A 45 -4.581 -13.875 4.674 1.00 0.00 C ATOM 586 OE1 GLU A 45 -5.274 -14.187 3.683 1.00 0.00 O ATOM 587 OE2 GLU A 45 -5.005 -13.657 5.830 1.00 0.00 O ATOM 0 H GLU A 45 -1.680 -11.222 1.885 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.773 -13.218 3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.269 -12.251 2.910 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.166 -13.892 2.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.596 -14.715 4.586 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.648 -13.076 5.202 1.00 0.00 H new ATOM 592 N THR A 46 -0.031 -15.052 2.356 1.00 0.00 N ATOM 593 CA THR A 46 0.535 -16.090 1.513 1.00 0.00 C ATOM 594 C THR A 46 0.409 -17.455 2.190 1.00 0.00 C ATOM 595 O THR A 46 0.515 -17.559 3.412 1.00 0.00 O ATOM 596 CB THR A 46 1.981 -15.703 1.193 1.00 0.00 C ATOM 597 OG1 THR A 46 2.528 -15.330 2.455 1.00 0.00 O ATOM 598 CG2 THR A 46 2.073 -14.426 0.356 1.00 0.00 C ATOM 0 H THR A 46 0.154 -15.164 3.353 1.00 0.00 H new ATOM 0 HA THR A 46 -0.010 -16.176 0.573 1.00 0.00 H new ATOM 0 HB THR A 46 2.467 -16.522 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.046 -15.794 3.171 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.120 -14.196 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.548 -14.571 -0.588 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.617 -13.600 0.902 1.00 0.00 H new ATOM 606 N ASP A 47 0.184 -18.470 1.368 1.00 0.00 N ATOM 607 CA ASP A 47 0.041 -19.825 1.873 1.00 0.00 C ATOM 608 C ASP A 47 1.230 -20.156 2.778 1.00 0.00 C ATOM 609 O ASP A 47 1.069 -20.817 3.802 1.00 0.00 O ATOM 610 CB ASP A 47 0.022 -20.840 0.728 1.00 0.00 C ATOM 611 CG ASP A 47 -1.372 -21.262 0.261 1.00 0.00 C ATOM 612 OD1 ASP A 47 -1.990 -20.462 -0.474 1.00 0.00 O ATOM 613 OD2 ASP A 47 -1.788 -22.376 0.649 1.00 0.00 O ATOM 0 H ASP A 47 0.097 -18.381 0.356 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.899 -19.883 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.561 -20.418 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.568 -21.729 1.042 1.00 0.00 H new ATOM 617 N LYS A 48 2.395 -19.679 2.367 1.00 0.00 N ATOM 618 CA LYS A 48 3.610 -19.916 3.128 1.00 0.00 C ATOM 619 C LYS A 48 3.405 -19.441 4.569 1.00 0.00 C ATOM 620 O LYS A 48 3.454 -20.241 5.502 1.00 0.00 O ATOM 621 CB LYS A 48 4.812 -19.271 2.433 1.00 0.00 C ATOM 622 CG LYS A 48 6.005 -20.228 2.402 1.00 0.00 C ATOM 623 CD LYS A 48 6.994 -19.909 3.524 1.00 0.00 C ATOM 624 CE LYS A 48 7.864 -18.703 3.163 1.00 0.00 C ATOM 625 NZ LYS A 48 8.505 -18.145 4.374 1.00 0.00 N ATOM 0 H LYS A 48 2.524 -19.130 1.517 1.00 0.00 H new ATOM 0 HA LYS A 48 3.830 -20.983 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.540 -18.989 1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.090 -18.355 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.654 -21.255 2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 6.508 -20.156 1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.450 -19.706 4.446 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.628 -20.776 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.628 -19.000 2.444 1.00 0.00 H new ATOM 0 HE3 LYS A 48 7.254 -17.938 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.092 -17.327 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.772 -17.843 5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.103 -18.872 4.817 1.00 0.00 H new ATOM 635 N ALA A 49 3.181 -18.142 4.703 1.00 0.00 N ATOM 636 CA ALA A 49 2.969 -17.552 6.014 1.00 0.00 C ATOM 637 C ALA A 49 2.514 -16.100 5.847 1.00 0.00 C ATOM 638 O ALA A 49 2.085 -15.701 4.767 1.00 0.00 O ATOM 639 CB ALA A 49 4.250 -17.670 6.841 1.00 0.00 C ATOM 0 H ALA A 49 3.142 -17.482 3.926 1.00 0.00 H new ATOM 0 HA ALA A 49 2.184 -18.084 6.552 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.090 -17.227 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.514 -18.721 6.955 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.060 -17.145 6.334 1.00 0.00 H new ATOM 645 N VAL A 50 2.624 -15.351 6.934 1.00 0.00 N ATOM 646 CA VAL A 50 2.230 -13.952 6.922 1.00 0.00 C ATOM 647 C VAL A 50 3.454 -13.085 6.625 1.00 0.00 C ATOM 648 O VAL A 50 4.299 -12.877 7.496 1.00 0.00 O ATOM 649 CB VAL A 50 1.546 -13.589 8.242 1.00 0.00 C ATOM 650 CG1 VAL A 50 2.510 -13.747 9.419 1.00 0.00 C ATOM 651 CG2 VAL A 50 0.970 -12.173 8.190 1.00 0.00 C ATOM 0 H VAL A 50 2.980 -15.686 7.829 1.00 0.00 H new ATOM 0 HA VAL A 50 1.501 -13.767 6.133 1.00 0.00 H new ATOM 0 HB VAL A 50 0.717 -14.281 8.392 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.000 -13.483 10.345 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.850 -14.781 9.474 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.368 -13.090 9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.490 -11.940 9.140 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.773 -11.460 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.236 -12.108 7.387 1.00 0.00 H new ATOM 661 N VAL A 51 3.512 -12.600 5.393 1.00 0.00 N ATOM 662 CA VAL A 51 4.619 -11.759 4.970 1.00 0.00 C ATOM 663 C VAL A 51 4.142 -10.310 4.866 1.00 0.00 C ATOM 664 O VAL A 51 2.940 -10.047 4.861 1.00 0.00 O ATOM 665 CB VAL A 51 5.210 -12.290 3.663 1.00 0.00 C ATOM 666 CG1 VAL A 51 6.022 -13.564 3.904 1.00 0.00 C ATOM 667 CG2 VAL A 51 4.113 -12.528 2.623 1.00 0.00 C ATOM 0 H VAL A 51 2.810 -12.774 4.674 1.00 0.00 H new ATOM 0 HA VAL A 51 5.421 -11.784 5.707 1.00 0.00 H new ATOM 0 HB VAL A 51 5.887 -11.532 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.430 -13.920 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.838 -13.350 4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.377 -14.331 4.332 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.560 -12.905 1.703 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.400 -13.258 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.597 -11.590 2.418 1.00 0.00 H new ATOM 677 N THR A 52 5.108 -9.406 4.786 1.00 0.00 N ATOM 678 CA THR A 52 4.802 -7.990 4.682 1.00 0.00 C ATOM 679 C THR A 52 5.337 -7.424 3.365 1.00 0.00 C ATOM 680 O THR A 52 6.384 -7.851 2.882 1.00 0.00 O ATOM 681 CB THR A 52 5.369 -7.292 5.919 1.00 0.00 C ATOM 682 OG1 THR A 52 4.469 -7.651 6.964 1.00 0.00 O ATOM 683 CG2 THR A 52 5.255 -5.769 5.837 1.00 0.00 C ATOM 0 H THR A 52 6.104 -9.628 4.791 1.00 0.00 H new ATOM 0 HA THR A 52 3.726 -7.818 4.659 1.00 0.00 H new ATOM 0 HB THR A 52 6.415 -7.571 6.044 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.763 -7.241 7.804 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.672 -5.324 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.805 -5.409 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.206 -5.487 5.745 1.00 0.00 H new ATOM 691 N LEU A 53 4.594 -6.470 2.824 1.00 0.00 N ATOM 692 CA LEU A 53 4.980 -5.840 1.572 1.00 0.00 C ATOM 693 C LEU A 53 5.866 -4.628 1.868 1.00 0.00 C ATOM 694 O LEU A 53 5.429 -3.679 2.516 1.00 0.00 O ATOM 695 CB LEU A 53 3.745 -5.508 0.735 1.00 0.00 C ATOM 696 CG LEU A 53 3.872 -5.743 -0.772 1.00 0.00 C ATOM 697 CD1 LEU A 53 2.613 -5.281 -1.507 1.00 0.00 C ATOM 698 CD2 LEU A 53 5.134 -5.079 -1.325 1.00 0.00 C ATOM 0 H LEU A 53 3.727 -6.118 3.229 1.00 0.00 H new ATOM 0 HA LEU A 53 5.571 -6.528 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.909 -6.101 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.490 -4.461 0.899 1.00 0.00 H new ATOM 0 HG LEU A 53 3.970 -6.815 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.730 -5.459 -2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.751 -5.838 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.459 -4.216 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.201 -5.261 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.091 -4.006 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.011 -5.497 -0.831 1.00 0.00 H new ATOM 709 N ASP A 54 7.096 -4.700 1.380 1.00 0.00 N ATOM 710 CA ASP A 54 8.047 -3.620 1.584 1.00 0.00 C ATOM 711 C ASP A 54 8.020 -2.687 0.372 1.00 0.00 C ATOM 712 O ASP A 54 7.704 -3.114 -0.737 1.00 0.00 O ATOM 713 CB ASP A 54 9.470 -4.161 1.733 1.00 0.00 C ATOM 714 CG ASP A 54 9.622 -5.319 2.721 1.00 0.00 C ATOM 715 OD1 ASP A 54 8.802 -6.258 2.627 1.00 0.00 O ATOM 716 OD2 ASP A 54 10.555 -5.240 3.549 1.00 0.00 O ATOM 0 H ASP A 54 7.456 -5.490 0.844 1.00 0.00 H new ATOM 0 HA ASP A 54 7.766 -3.090 2.494 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.822 -4.489 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.121 -3.346 2.049 1.00 0.00 H new ATOM 720 N ALA A 55 8.355 -1.430 0.627 1.00 0.00 N ATOM 721 CA ALA A 55 8.374 -0.433 -0.429 1.00 0.00 C ATOM 722 C ALA A 55 9.658 -0.585 -1.247 1.00 0.00 C ATOM 723 O ALA A 55 10.720 -0.865 -0.694 1.00 0.00 O ATOM 724 CB ALA A 55 8.234 0.962 0.183 1.00 0.00 C ATOM 0 H ALA A 55 8.615 -1.080 1.549 1.00 0.00 H new ATOM 0 HA ALA A 55 7.533 -0.577 -1.107 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.248 1.710 -0.610 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.292 1.028 0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.062 1.143 0.868 1.00 0.00 H new ATOM 730 N SER A 56 9.519 -0.393 -2.550 1.00 0.00 N ATOM 731 CA SER A 56 10.655 -0.506 -3.449 1.00 0.00 C ATOM 732 C SER A 56 11.143 0.887 -3.852 1.00 0.00 C ATOM 733 O SER A 56 12.181 1.022 -4.498 1.00 0.00 O ATOM 734 CB SER A 56 10.296 -1.322 -4.692 1.00 0.00 C ATOM 735 OG SER A 56 10.570 -2.710 -4.516 1.00 0.00 O ATOM 0 H SER A 56 8.637 -0.160 -3.005 1.00 0.00 H new ATOM 0 HA SER A 56 11.455 -1.028 -2.924 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.239 -1.187 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.858 -0.947 -5.547 1.00 0.00 H new ATOM 0 HG SER A 56 10.326 -3.197 -5.330 1.00 0.00 H new ATOM 740 N ASP A 57 10.371 1.888 -3.454 1.00 0.00 N ATOM 741 CA ASP A 57 10.711 3.266 -3.766 1.00 0.00 C ATOM 742 C ASP A 57 10.145 4.185 -2.681 1.00 0.00 C ATOM 743 O ASP A 57 9.275 3.780 -1.912 1.00 0.00 O ATOM 744 CB ASP A 57 10.110 3.691 -5.108 1.00 0.00 C ATOM 745 CG ASP A 57 10.795 3.100 -6.340 1.00 0.00 C ATOM 746 OD1 ASP A 57 12.015 3.333 -6.479 1.00 0.00 O ATOM 747 OD2 ASP A 57 10.083 2.425 -7.115 1.00 0.00 O ATOM 0 H ASP A 57 9.511 1.772 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 57 11.797 3.342 -3.817 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.058 3.406 -5.124 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.147 4.778 -5.177 1.00 0.00 H new ATOM 751 N ASP A 58 10.663 5.404 -2.654 1.00 0.00 N ATOM 752 CA ASP A 58 10.221 6.383 -1.677 1.00 0.00 C ATOM 753 C ASP A 58 9.275 7.379 -2.351 1.00 0.00 C ATOM 754 O ASP A 58 9.574 7.894 -3.428 1.00 0.00 O ATOM 755 CB ASP A 58 11.405 7.167 -1.107 1.00 0.00 C ATOM 756 CG ASP A 58 12.387 7.703 -2.150 1.00 0.00 C ATOM 757 OD1 ASP A 58 13.196 6.886 -2.641 1.00 0.00 O ATOM 758 OD2 ASP A 58 12.308 8.918 -2.434 1.00 0.00 O ATOM 0 H ASP A 58 11.385 5.736 -3.294 1.00 0.00 H new ATOM 0 HA ASP A 58 9.720 5.850 -0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.021 8.006 -0.527 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.948 6.523 -0.415 1.00 0.00 H new ATOM 762 N GLY A 59 8.152 7.621 -1.690 1.00 0.00 N ATOM 763 CA GLY A 59 7.161 8.546 -2.211 1.00 0.00 C ATOM 764 C GLY A 59 6.017 8.743 -1.214 1.00 0.00 C ATOM 765 O GLY A 59 6.120 8.337 -0.058 1.00 0.00 O ATOM 0 H GLY A 59 7.907 7.192 -0.798 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.631 9.506 -2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.766 8.168 -3.154 1.00 0.00 H new ATOM 769 N ILE A 60 4.953 9.367 -1.699 1.00 0.00 N ATOM 770 CA ILE A 60 3.791 9.623 -0.865 1.00 0.00 C ATOM 771 C ILE A 60 2.627 8.752 -1.340 1.00 0.00 C ATOM 772 O ILE A 60 2.360 8.664 -2.538 1.00 0.00 O ATOM 773 CB ILE A 60 3.470 11.119 -0.838 1.00 0.00 C ATOM 774 CG1 ILE A 60 4.557 11.900 -0.097 1.00 0.00 C ATOM 775 CG2 ILE A 60 2.081 11.371 -0.250 1.00 0.00 C ATOM 776 CD1 ILE A 60 4.248 11.984 1.400 1.00 0.00 C ATOM 0 H ILE A 60 4.872 9.703 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 60 3.995 9.346 0.169 1.00 0.00 H new ATOM 0 HB ILE A 60 3.456 11.484 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.523 11.417 -0.246 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.636 12.905 -0.513 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.878 12.442 -0.242 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.331 10.864 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.042 10.987 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.036 12.544 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.293 12.489 1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.194 10.979 1.817 1.00 0.00 H new ATOM 787 N LEU A 61 1.962 8.131 -0.376 1.00 0.00 N ATOM 788 CA LEU A 61 0.832 7.271 -0.681 1.00 0.00 C ATOM 789 C LEU A 61 -0.307 8.117 -1.253 1.00 0.00 C ATOM 790 O LEU A 61 -1.171 8.584 -0.512 1.00 0.00 O ATOM 791 CB LEU A 61 0.433 6.454 0.550 1.00 0.00 C ATOM 792 CG LEU A 61 0.247 4.952 0.326 1.00 0.00 C ATOM 793 CD1 LEU A 61 -0.311 4.276 1.581 1.00 0.00 C ATOM 794 CD2 LEU A 61 -0.624 4.685 -0.903 1.00 0.00 C ATOM 0 H LEU A 61 2.185 8.207 0.617 1.00 0.00 H new ATOM 0 HA LEU A 61 1.103 6.542 -1.445 1.00 0.00 H new ATOM 0 HB2 LEU A 61 1.194 6.595 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.498 6.860 0.945 1.00 0.00 H new ATOM 0 HG LEU A 61 1.225 4.512 0.130 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.434 3.209 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.380 4.423 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.277 4.714 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.741 3.610 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.604 5.141 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.149 5.114 -1.786 1.00 0.00 H new ATOM 805 N ALA A 62 -0.272 8.288 -2.566 1.00 0.00 N ATOM 806 CA ALA A 62 -1.292 9.069 -3.246 1.00 0.00 C ATOM 807 C ALA A 62 -2.670 8.479 -2.939 1.00 0.00 C ATOM 808 O ALA A 62 -3.470 9.096 -2.236 1.00 0.00 O ATOM 809 CB ALA A 62 -0.994 9.102 -4.747 1.00 0.00 C ATOM 0 H ALA A 62 0.446 7.899 -3.177 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.287 10.099 -2.889 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.759 9.688 -5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.017 9.556 -4.914 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.993 8.085 -5.140 1.00 0.00 H new ATOM 815 N LYS A 63 -2.905 7.293 -3.479 1.00 0.00 N ATOM 816 CA LYS A 63 -4.172 6.614 -3.271 1.00 0.00 C ATOM 817 C LYS A 63 -3.924 5.110 -3.135 1.00 0.00 C ATOM 818 O LYS A 63 -3.052 4.559 -3.805 1.00 0.00 O ATOM 819 CB LYS A 63 -5.163 6.975 -4.381 1.00 0.00 C ATOM 820 CG LYS A 63 -6.243 5.902 -4.523 1.00 0.00 C ATOM 821 CD LYS A 63 -5.899 4.922 -5.646 1.00 0.00 C ATOM 822 CE LYS A 63 -7.155 4.500 -6.410 1.00 0.00 C ATOM 823 NZ LYS A 63 -7.768 5.666 -7.083 1.00 0.00 N ATOM 0 H LYS A 63 -2.239 6.784 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.634 6.947 -2.342 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.627 7.936 -4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.631 7.088 -5.326 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.348 5.361 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.204 6.373 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.190 5.385 -6.332 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.410 4.042 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.901 3.739 -7.148 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.872 4.051 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.253 5.352 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.455 6.114 -6.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.027 6.353 -7.331 1.00 0.00 H new ATOM 833 N ILE A 64 -4.707 4.490 -2.265 1.00 0.00 N ATOM 834 CA ILE A 64 -4.583 3.060 -2.033 1.00 0.00 C ATOM 835 C ILE A 64 -5.604 2.318 -2.897 1.00 0.00 C ATOM 836 O ILE A 64 -6.713 2.035 -2.449 1.00 0.00 O ATOM 837 CB ILE A 64 -4.699 2.749 -0.540 1.00 0.00 C ATOM 838 CG1 ILE A 64 -3.510 3.322 0.234 1.00 0.00 C ATOM 839 CG2 ILE A 64 -4.863 1.245 -0.305 1.00 0.00 C ATOM 840 CD1 ILE A 64 -3.637 3.031 1.731 1.00 0.00 C ATOM 0 H ILE A 64 -5.430 4.951 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.596 2.708 -2.333 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.597 3.236 -0.159 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.583 2.892 -0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.452 4.398 0.073 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.943 1.050 0.764 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.765 0.895 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.997 0.718 -0.706 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.779 3.449 2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.552 3.483 2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.670 1.953 1.891 1.00 0.00 H new ATOM 851 N VAL A 65 -5.191 2.021 -4.121 1.00 0.00 N ATOM 852 CA VAL A 65 -6.055 1.316 -5.052 1.00 0.00 C ATOM 853 C VAL A 65 -6.776 0.185 -4.315 1.00 0.00 C ATOM 854 O VAL A 65 -8.004 0.151 -4.273 1.00 0.00 O ATOM 855 CB VAL A 65 -5.242 0.826 -6.252 1.00 0.00 C ATOM 856 CG1 VAL A 65 -6.149 0.181 -7.303 1.00 0.00 C ATOM 857 CG2 VAL A 65 -4.422 1.965 -6.861 1.00 0.00 C ATOM 0 H VAL A 65 -4.269 2.256 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.819 1.986 -5.447 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.547 0.065 -5.897 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.546 -0.158 -8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.669 -0.670 -6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.879 0.911 -7.651 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.854 1.590 -7.712 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.092 2.758 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.736 2.360 -6.112 1.00 0.00 H new ATOM 867 N VAL A 66 -5.980 -0.713 -3.754 1.00 0.00 N ATOM 868 CA VAL A 66 -6.527 -1.843 -3.021 1.00 0.00 C ATOM 869 C VAL A 66 -6.284 -1.640 -1.524 1.00 0.00 C ATOM 870 O VAL A 66 -5.139 -1.560 -1.083 1.00 0.00 O ATOM 871 CB VAL A 66 -5.931 -3.149 -3.552 1.00 0.00 C ATOM 872 CG1 VAL A 66 -6.418 -4.346 -2.734 1.00 0.00 C ATOM 873 CG2 VAL A 66 -6.250 -3.333 -5.037 1.00 0.00 C ATOM 0 H VAL A 66 -4.961 -0.682 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.605 -1.909 -3.169 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.848 -3.090 -3.447 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.980 -5.261 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.117 -4.222 -1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.505 -4.409 -2.792 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.815 -4.268 -5.389 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.331 -3.360 -5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.832 -2.502 -5.605 1.00 0.00 H new ATOM 883 N GLU A 67 -7.381 -1.562 -0.785 1.00 0.00 N ATOM 884 CA GLU A 67 -7.302 -1.370 0.653 1.00 0.00 C ATOM 885 C GLU A 67 -7.169 -2.720 1.362 1.00 0.00 C ATOM 886 O GLU A 67 -7.050 -3.758 0.712 1.00 0.00 O ATOM 887 CB GLU A 67 -8.515 -0.597 1.171 1.00 0.00 C ATOM 888 CG GLU A 67 -8.375 0.900 0.884 1.00 0.00 C ATOM 889 CD GLU A 67 -7.769 1.633 2.081 1.00 0.00 C ATOM 890 OE1 GLU A 67 -8.243 1.371 3.207 1.00 0.00 O ATOM 891 OE2 GLU A 67 -6.843 2.439 1.843 1.00 0.00 O ATOM 0 H GLU A 67 -8.329 -1.628 -1.155 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.414 -0.777 0.872 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.421 -0.978 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.621 -0.757 2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.746 1.048 0.006 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.353 1.322 0.651 1.00 0.00 H new ATOM 896 N GLU A 68 -7.193 -2.662 2.686 1.00 0.00 N ATOM 897 CA GLU A 68 -7.076 -3.866 3.490 1.00 0.00 C ATOM 898 C GLU A 68 -8.425 -4.585 3.569 1.00 0.00 C ATOM 899 O GLU A 68 -9.463 -4.000 3.261 1.00 0.00 O ATOM 900 CB GLU A 68 -6.545 -3.543 4.888 1.00 0.00 C ATOM 901 CG GLU A 68 -7.507 -2.622 5.641 1.00 0.00 C ATOM 902 CD GLU A 68 -7.640 -3.045 7.105 1.00 0.00 C ATOM 903 OE1 GLU A 68 -7.927 -4.242 7.326 1.00 0.00 O ATOM 904 OE2 GLU A 68 -7.451 -2.164 7.971 1.00 0.00 O ATOM 0 H GLU A 68 -7.292 -1.800 3.222 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.359 -4.531 3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.405 -4.466 5.450 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.568 -3.067 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.149 -1.594 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.486 -2.644 5.162 1.00 0.00 H new ATOM 909 N GLY A 69 -8.367 -5.843 3.982 1.00 0.00 N ATOM 910 CA GLY A 69 -9.570 -6.646 4.104 1.00 0.00 C ATOM 911 C GLY A 69 -9.877 -7.376 2.795 1.00 0.00 C ATOM 912 O GLY A 69 -10.624 -8.355 2.786 1.00 0.00 O ATOM 0 H GLY A 69 -7.505 -6.325 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.448 -7.371 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.411 -6.008 4.375 1.00 0.00 H new ATOM 916 N SER A 70 -9.287 -6.873 1.722 1.00 0.00 N ATOM 917 CA SER A 70 -9.488 -7.466 0.410 1.00 0.00 C ATOM 918 C SER A 70 -8.900 -8.878 0.377 1.00 0.00 C ATOM 919 O SER A 70 -8.302 -9.327 1.353 1.00 0.00 O ATOM 920 CB SER A 70 -8.859 -6.603 -0.687 1.00 0.00 C ATOM 921 OG SER A 70 -9.654 -6.580 -1.869 1.00 0.00 O ATOM 0 H SER A 70 -8.669 -6.061 1.733 1.00 0.00 H new ATOM 0 HA SER A 70 -10.560 -7.522 0.221 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.728 -5.586 -0.318 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.866 -6.986 -0.925 1.00 0.00 H new ATOM 0 HG SER A 70 -9.220 -6.018 -2.544 1.00 0.00 H new ATOM 926 N LYS A 71 -9.090 -9.537 -0.755 1.00 0.00 N ATOM 927 CA LYS A 71 -8.586 -10.888 -0.928 1.00 0.00 C ATOM 928 C LYS A 71 -8.491 -11.206 -2.422 1.00 0.00 C ATOM 929 O LYS A 71 -9.131 -10.549 -3.242 1.00 0.00 O ATOM 930 CB LYS A 71 -9.441 -11.884 -0.142 1.00 0.00 C ATOM 931 CG LYS A 71 -10.857 -11.964 -0.715 1.00 0.00 C ATOM 932 CD LYS A 71 -11.029 -13.215 -1.578 1.00 0.00 C ATOM 933 CE LYS A 71 -12.502 -13.444 -1.926 1.00 0.00 C ATOM 934 NZ LYS A 71 -12.727 -14.849 -2.330 1.00 0.00 N ATOM 0 H LYS A 71 -9.586 -9.160 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.579 -10.973 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.977 -12.870 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.485 -11.584 0.905 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -11.582 -11.977 0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.063 -11.075 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.447 -13.112 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.638 -14.083 -1.048 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.127 -13.202 -1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.799 -12.775 -2.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.731 -14.987 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.145 -15.068 -3.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -12.463 -15.482 -1.548 1.00 0.00 H new ATOM 944 N ASN A 72 -7.687 -12.214 -2.731 1.00 0.00 N ATOM 945 CA ASN A 72 -7.501 -12.625 -4.112 1.00 0.00 C ATOM 946 C ASN A 72 -6.876 -11.475 -4.903 1.00 0.00 C ATOM 947 O ASN A 72 -7.521 -10.896 -5.776 1.00 0.00 O ATOM 948 CB ASN A 72 -8.837 -12.980 -4.766 1.00 0.00 C ATOM 949 CG ASN A 72 -9.092 -14.488 -4.711 1.00 0.00 C ATOM 950 OD1 ASN A 72 -9.321 -15.141 -5.716 1.00 0.00 O ATOM 951 ND2 ASN A 72 -9.040 -15.001 -3.485 1.00 0.00 N ATOM 0 H ASN A 72 -7.158 -12.757 -2.049 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.853 -13.502 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.645 -12.452 -4.260 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.838 -12.645 -5.803 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.197 -15.999 -3.343 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.843 -14.397 -2.687 1.00 0.00 H new ATOM 957 N ILE A 73 -5.629 -11.177 -4.569 1.00 0.00 N ATOM 958 CA ILE A 73 -4.911 -10.106 -5.238 1.00 0.00 C ATOM 959 C ILE A 73 -3.789 -10.703 -6.089 1.00 0.00 C ATOM 960 O ILE A 73 -2.645 -10.787 -5.645 1.00 0.00 O ATOM 961 CB ILE A 73 -4.427 -9.069 -4.222 1.00 0.00 C ATOM 962 CG1 ILE A 73 -5.524 -8.742 -3.207 1.00 0.00 C ATOM 963 CG2 ILE A 73 -3.904 -7.815 -4.925 1.00 0.00 C ATOM 964 CD1 ILE A 73 -6.631 -7.902 -3.847 1.00 0.00 C ATOM 0 H ILE A 73 -5.098 -11.659 -3.844 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.574 -9.569 -5.916 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.593 -9.498 -3.667 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.946 -9.666 -2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.094 -8.202 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.566 -7.094 -4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.071 -8.083 -5.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.702 -7.373 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.398 -7.684 -3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.210 -6.968 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.075 -8.455 -4.675 1.00 0.00 H new ATOM 975 N ARG A 74 -4.156 -11.103 -7.298 1.00 0.00 N ATOM 976 CA ARG A 74 -3.194 -11.689 -8.216 1.00 0.00 C ATOM 977 C ARG A 74 -1.984 -10.768 -8.378 1.00 0.00 C ATOM 978 O ARG A 74 -1.954 -9.672 -7.821 1.00 0.00 O ATOM 979 CB ARG A 74 -3.824 -11.940 -9.588 1.00 0.00 C ATOM 980 CG ARG A 74 -4.670 -10.744 -10.028 1.00 0.00 C ATOM 981 CD ARG A 74 -4.587 -10.541 -11.543 1.00 0.00 C ATOM 982 NE ARG A 74 -5.834 -9.919 -12.040 1.00 0.00 N ATOM 983 CZ ARG A 74 -6.241 -9.965 -13.315 1.00 0.00 C ATOM 984 NH1 ARG A 74 -5.501 -10.605 -14.232 1.00 0.00 N ATOM 985 NH2 ARG A 74 -7.387 -9.371 -13.676 1.00 0.00 N ATOM 0 H ARG A 74 -5.106 -11.033 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.874 -12.643 -7.796 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.041 -12.127 -10.323 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.445 -12.835 -9.549 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.708 -10.901 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.327 -9.844 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.733 -9.909 -11.787 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.426 -11.499 -12.038 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.421 -9.424 -11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.628 -11.057 -13.958 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.811 -10.640 -15.203 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.950 -8.883 -12.979 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.696 -9.407 -14.647 1.00 0.00 H new ATOM 996 N LEU A 75 -1.014 -11.247 -9.144 1.00 0.00 N ATOM 997 CA LEU A 75 0.196 -10.479 -9.386 1.00 0.00 C ATOM 998 C LEU A 75 -0.049 -9.498 -10.535 1.00 0.00 C ATOM 999 O LEU A 75 -0.889 -9.746 -11.399 1.00 0.00 O ATOM 1000 CB LEU A 75 1.385 -11.413 -9.618 1.00 0.00 C ATOM 1001 CG LEU A 75 1.411 -12.688 -8.773 1.00 0.00 C ATOM 1002 CD1 LEU A 75 2.457 -13.673 -9.299 1.00 0.00 C ATOM 1003 CD2 LEU A 75 1.624 -12.361 -7.294 1.00 0.00 C ATOM 0 H LEU A 75 -1.041 -12.157 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 75 0.453 -9.885 -8.509 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.398 -11.698 -10.670 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.302 -10.856 -9.427 1.00 0.00 H new ATOM 0 HG LEU A 75 0.439 -13.174 -8.858 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.455 -14.571 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.219 -13.941 -10.328 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.443 -13.210 -9.263 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.638 -13.285 -6.716 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.573 -11.840 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.812 -11.725 -6.941 1.00 0.00 H new ATOM 1014 N GLY A 76 0.700 -8.407 -10.508 1.00 0.00 N ATOM 1015 CA GLY A 76 0.575 -7.388 -11.537 1.00 0.00 C ATOM 1016 C GLY A 76 -0.705 -6.571 -11.346 1.00 0.00 C ATOM 1017 O GLY A 76 -1.301 -6.111 -12.319 1.00 0.00 O ATOM 0 H GLY A 76 1.396 -8.205 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.441 -6.727 -11.506 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.568 -7.858 -12.520 1.00 0.00 H new ATOM 1021 N SER A 77 -1.088 -6.415 -10.088 1.00 0.00 N ATOM 1022 CA SER A 77 -2.286 -5.663 -9.758 1.00 0.00 C ATOM 1023 C SER A 77 -1.915 -4.413 -8.958 1.00 0.00 C ATOM 1024 O SER A 77 -1.118 -4.483 -8.023 1.00 0.00 O ATOM 1025 CB SER A 77 -3.277 -6.522 -8.971 1.00 0.00 C ATOM 1026 OG SER A 77 -3.673 -7.682 -9.697 1.00 0.00 O ATOM 0 H SER A 77 -0.589 -6.797 -9.284 1.00 0.00 H new ATOM 0 HA SER A 77 -2.768 -5.362 -10.688 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.825 -6.823 -8.026 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.158 -5.928 -8.728 1.00 0.00 H new ATOM 0 HG SER A 77 -2.918 -8.303 -9.758 1.00 0.00 H new ATOM 1031 N LEU A 78 -2.510 -3.297 -9.355 1.00 0.00 N ATOM 1032 CA LEU A 78 -2.251 -2.032 -8.686 1.00 0.00 C ATOM 1033 C LEU A 78 -2.944 -2.031 -7.322 1.00 0.00 C ATOM 1034 O LEU A 78 -4.166 -2.142 -7.242 1.00 0.00 O ATOM 1035 CB LEU A 78 -2.656 -0.860 -9.583 1.00 0.00 C ATOM 1036 CG LEU A 78 -1.516 0.039 -10.066 1.00 0.00 C ATOM 1037 CD1 LEU A 78 -2.057 1.233 -10.855 1.00 0.00 C ATOM 1038 CD2 LEU A 78 -0.630 0.477 -8.898 1.00 0.00 C ATOM 0 H LEU A 78 -3.170 -3.242 -10.131 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.184 -1.909 -8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.173 -1.258 -10.456 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.373 -0.244 -9.041 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.889 -0.539 -10.745 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.227 1.856 -11.187 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.611 0.875 -11.723 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.719 1.820 -10.218 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.172 1.115 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.229 1.031 -8.175 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.201 -0.402 -8.417 1.00 0.00 H new ATOM 1049 N ILE A 79 -2.132 -1.906 -6.283 1.00 0.00 N ATOM 1050 CA ILE A 79 -2.651 -1.888 -4.925 1.00 0.00 C ATOM 1051 C ILE A 79 -2.569 -0.464 -4.371 1.00 0.00 C ATOM 1052 O ILE A 79 -3.379 -0.074 -3.530 1.00 0.00 O ATOM 1053 CB ILE A 79 -1.932 -2.926 -4.063 1.00 0.00 C ATOM 1054 CG1 ILE A 79 -0.444 -2.593 -3.930 1.00 0.00 C ATOM 1055 CG2 ILE A 79 -2.156 -4.340 -4.605 1.00 0.00 C ATOM 1056 CD1 ILE A 79 0.208 -3.429 -2.827 1.00 0.00 C ATOM 0 H ILE A 79 -1.118 -1.816 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.703 -2.174 -4.915 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.361 -2.893 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.060 -2.779 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.323 -1.533 -3.707 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.634 -5.059 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.223 -4.565 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.771 -4.405 -5.623 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.265 -3.173 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.283 -3.223 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.107 -4.488 -3.065 1.00 0.00 H new ATOM 1067 N GLY A 80 -1.585 0.272 -4.863 1.00 0.00 N ATOM 1068 CA GLY A 80 -1.386 1.644 -4.427 1.00 0.00 C ATOM 1069 C GLY A 80 -0.512 2.414 -5.419 1.00 0.00 C ATOM 1070 O GLY A 80 0.296 1.820 -6.131 1.00 0.00 O ATOM 0 H GLY A 80 -0.916 -0.055 -5.560 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.351 2.141 -4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -0.918 1.652 -3.442 1.00 0.00 H new ATOM 1074 N LEU A 81 -0.705 3.725 -5.434 1.00 0.00 N ATOM 1075 CA LEU A 81 0.055 4.582 -6.327 1.00 0.00 C ATOM 1076 C LEU A 81 0.893 5.560 -5.499 1.00 0.00 C ATOM 1077 O LEU A 81 0.373 6.223 -4.603 1.00 0.00 O ATOM 1078 CB LEU A 81 -0.872 5.266 -7.333 1.00 0.00 C ATOM 1079 CG LEU A 81 -0.228 5.703 -8.650 1.00 0.00 C ATOM 1080 CD1 LEU A 81 1.032 6.532 -8.395 1.00 0.00 C ATOM 1081 CD2 LEU A 81 0.049 4.499 -9.552 1.00 0.00 C ATOM 0 H LEU A 81 -1.377 4.214 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 81 0.750 3.990 -6.922 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.693 4.586 -7.561 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.308 6.144 -6.856 1.00 0.00 H new ATOM 0 HG LEU A 81 -0.933 6.344 -9.179 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.470 6.830 -9.347 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.772 7.421 -7.821 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.752 5.936 -7.835 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.507 4.838 -10.481 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.726 3.812 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.888 3.988 -9.774 1.00 0.00 H new ATOM 1092 N ILE A 82 2.174 5.619 -5.829 1.00 0.00 N ATOM 1093 CA ILE A 82 3.087 6.505 -5.127 1.00 0.00 C ATOM 1094 C ILE A 82 3.373 7.730 -5.998 1.00 0.00 C ATOM 1095 O ILE A 82 3.483 7.617 -7.218 1.00 0.00 O ATOM 1096 CB ILE A 82 4.346 5.747 -4.700 1.00 0.00 C ATOM 1097 CG1 ILE A 82 4.135 5.046 -3.357 1.00 0.00 C ATOM 1098 CG2 ILE A 82 5.563 6.673 -4.678 1.00 0.00 C ATOM 1099 CD1 ILE A 82 5.390 4.280 -2.933 1.00 0.00 C ATOM 0 H ILE A 82 2.602 5.068 -6.573 1.00 0.00 H new ATOM 0 HA ILE A 82 2.633 6.868 -4.205 1.00 0.00 H new ATOM 0 HB ILE A 82 4.545 4.972 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 82 3.880 5.782 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.293 4.358 -3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 82 6.444 6.109 -4.371 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.725 7.085 -5.674 1.00 0.00 H new ATOM 0 HG23 ILE A 82 5.389 7.486 -3.973 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.212 3.791 -1.975 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.629 3.528 -3.685 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.225 4.974 -2.836 1.00 0.00 H new ATOM 1110 N VAL A 83 3.486 8.873 -5.337 1.00 0.00 N ATOM 1111 CA VAL A 83 3.756 10.117 -6.036 1.00 0.00 C ATOM 1112 C VAL A 83 5.022 10.755 -5.460 1.00 0.00 C ATOM 1113 O VAL A 83 5.245 10.718 -4.251 1.00 0.00 O ATOM 1114 CB VAL A 83 2.536 11.037 -5.959 1.00 0.00 C ATOM 1115 CG1 VAL A 83 1.398 10.514 -6.838 1.00 0.00 C ATOM 1116 CG2 VAL A 83 2.072 11.213 -4.511 1.00 0.00 C ATOM 0 H VAL A 83 3.395 8.963 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 83 3.938 9.929 -7.094 1.00 0.00 H new ATOM 0 HB VAL A 83 2.831 12.015 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.543 11.186 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 83 1.732 10.464 -7.874 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.107 9.519 -6.502 1.00 0.00 H new ATOM 0 HG21 VAL A 83 1.204 11.871 -4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.804 10.242 -4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.877 11.651 -3.922 1.00 0.00 H new ATOM 1126 N GLU A 84 5.818 11.325 -6.353 1.00 0.00 N ATOM 1127 CA GLU A 84 7.055 11.970 -5.950 1.00 0.00 C ATOM 1128 C GLU A 84 6.805 12.903 -4.763 1.00 0.00 C ATOM 1129 O GLU A 84 6.004 13.831 -4.856 1.00 0.00 O ATOM 1130 CB GLU A 84 7.686 12.728 -7.119 1.00 0.00 C ATOM 1131 CG GLU A 84 8.277 11.759 -8.145 1.00 0.00 C ATOM 1132 CD GLU A 84 9.790 11.952 -8.272 1.00 0.00 C ATOM 1133 OE1 GLU A 84 10.474 11.763 -7.243 1.00 0.00 O ATOM 1134 OE2 GLU A 84 10.228 12.281 -9.396 1.00 0.00 O ATOM 0 H GLU A 84 5.630 11.353 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 84 7.759 11.198 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 84 6.935 13.356 -7.597 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.467 13.391 -6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.061 10.733 -7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.804 11.917 -9.114 1.00 0.00 H new ATOM 1139 N GLU A 85 7.507 12.625 -3.674 1.00 0.00 N ATOM 1140 CA GLU A 85 7.371 13.427 -2.470 1.00 0.00 C ATOM 1141 C GLU A 85 7.222 14.906 -2.832 1.00 0.00 C ATOM 1142 O GLU A 85 8.016 15.443 -3.602 1.00 0.00 O ATOM 1143 CB GLU A 85 8.558 13.210 -1.529 1.00 0.00 C ATOM 1144 CG GLU A 85 8.205 12.214 -0.423 1.00 0.00 C ATOM 1145 CD GLU A 85 9.444 11.443 0.037 1.00 0.00 C ATOM 1146 OE1 GLU A 85 10.512 12.086 0.124 1.00 0.00 O ATOM 1147 OE2 GLU A 85 9.295 10.227 0.289 1.00 0.00 O ATOM 0 H GLU A 85 8.172 11.855 -3.600 1.00 0.00 H new ATOM 0 HA GLU A 85 6.471 13.109 -1.945 1.00 0.00 H new ATOM 0 HB2 GLU A 85 9.413 12.842 -2.096 1.00 0.00 H new ATOM 0 HB3 GLU A 85 8.854 14.161 -1.086 1.00 0.00 H new ATOM 0 HG2 GLU A 85 7.768 12.744 0.423 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.451 11.515 -0.785 1.00 0.00 H new ATOM 1152 N GLY A 86 6.197 15.522 -2.260 1.00 0.00 N ATOM 1153 CA GLY A 86 5.934 16.929 -2.513 1.00 0.00 C ATOM 1154 C GLY A 86 4.730 17.103 -3.440 1.00 0.00 C ATOM 1155 O GLY A 86 3.763 17.777 -3.088 1.00 0.00 O ATOM 0 H GLY A 86 5.539 15.073 -1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.749 17.443 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.813 17.392 -2.962 1.00 0.00 H new ATOM 1159 N GLU A 87 4.826 16.483 -4.607 1.00 0.00 N ATOM 1160 CA GLU A 87 3.757 16.562 -5.588 1.00 0.00 C ATOM 1161 C GLU A 87 2.396 16.438 -4.899 1.00 0.00 C ATOM 1162 O GLU A 87 2.098 15.417 -4.282 1.00 0.00 O ATOM 1163 CB GLU A 87 3.924 15.490 -6.667 1.00 0.00 C ATOM 1164 CG GLU A 87 3.865 16.108 -8.066 1.00 0.00 C ATOM 1165 CD GLU A 87 3.076 15.216 -9.026 1.00 0.00 C ATOM 1166 OE1 GLU A 87 1.834 15.199 -8.895 1.00 0.00 O ATOM 1167 OE2 GLU A 87 3.734 14.572 -9.872 1.00 0.00 O ATOM 0 H GLU A 87 5.628 15.923 -4.895 1.00 0.00 H new ATOM 0 HA GLU A 87 3.809 17.535 -6.077 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.876 14.978 -6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.141 14.739 -6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 87 3.400 17.092 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.876 16.253 -8.446 1.00 0.00 H new ATOM 1172 N ASP A 88 1.606 17.494 -5.027 1.00 0.00 N ATOM 1173 CA ASP A 88 0.284 17.517 -4.425 1.00 0.00 C ATOM 1174 C ASP A 88 -0.438 16.206 -4.741 1.00 0.00 C ATOM 1175 O ASP A 88 -0.985 16.040 -5.830 1.00 0.00 O ATOM 1176 CB ASP A 88 -0.556 18.666 -4.985 1.00 0.00 C ATOM 1177 CG ASP A 88 0.057 20.058 -4.818 1.00 0.00 C ATOM 1178 OD1 ASP A 88 1.264 20.186 -5.118 1.00 0.00 O ATOM 1179 OD2 ASP A 88 -0.694 20.962 -4.392 1.00 0.00 O ATOM 0 H ASP A 88 1.856 18.340 -5.539 1.00 0.00 H new ATOM 0 HA ASP A 88 0.405 17.650 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.728 18.486 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -1.531 18.654 -4.498 1.00 0.00 H new ATOM 1183 N TRP A 89 -0.418 15.307 -3.767 1.00 0.00 N ATOM 1184 CA TRP A 89 -1.063 14.015 -3.927 1.00 0.00 C ATOM 1185 C TRP A 89 -2.577 14.236 -3.888 1.00 0.00 C ATOM 1186 O TRP A 89 -3.293 13.812 -4.792 1.00 0.00 O ATOM 1187 CB TRP A 89 -0.576 13.024 -2.870 1.00 0.00 C ATOM 1188 CG TRP A 89 -1.291 13.149 -1.522 1.00 0.00 C ATOM 1189 CD1 TRP A 89 -0.894 13.828 -0.438 1.00 0.00 C ATOM 1190 CD2 TRP A 89 -2.552 12.548 -1.159 1.00 0.00 C ATOM 1191 NE1 TRP A 89 -1.803 13.710 0.595 1.00 0.00 N ATOM 1192 CE2 TRP A 89 -2.843 12.906 0.142 1.00 0.00 C ATOM 1193 CE3 TRP A 89 -3.417 11.728 -1.905 1.00 0.00 C ATOM 1194 CZ2 TRP A 89 -4.001 12.491 0.810 1.00 0.00 C ATOM 1195 CZ3 TRP A 89 -4.570 11.321 -1.222 1.00 0.00 C ATOM 1196 CH2 TRP A 89 -4.878 11.673 0.087 1.00 0.00 C ATOM 0 H TRP A 89 0.035 15.448 -2.864 1.00 0.00 H new ATOM 0 HA TRP A 89 -0.800 13.568 -4.886 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.710 12.010 -3.248 1.00 0.00 H new ATOM 0 HB3 TRP A 89 0.494 13.168 -2.717 1.00 0.00 H new ATOM 0 HD1 TRP A 89 0.022 14.397 -0.379 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -1.726 14.134 1.519 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.209 11.435 -2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -4.207 12.786 1.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -5.269 10.689 -1.750 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -5.789 11.317 0.544 1.00 0.00 H new ATOM 1206 N LYS A 90 -3.019 14.900 -2.829 1.00 0.00 N ATOM 1207 CA LYS A 90 -4.434 15.181 -2.659 1.00 0.00 C ATOM 1208 C LYS A 90 -4.741 16.577 -3.205 1.00 0.00 C ATOM 1209 O LYS A 90 -4.609 17.570 -2.491 1.00 0.00 O ATOM 1210 CB LYS A 90 -4.848 14.988 -1.199 1.00 0.00 C ATOM 1211 CG LYS A 90 -6.074 15.838 -0.859 1.00 0.00 C ATOM 1212 CD LYS A 90 -7.018 15.086 0.082 1.00 0.00 C ATOM 1213 CE LYS A 90 -7.592 13.842 -0.597 1.00 0.00 C ATOM 1214 NZ LYS A 90 -9.061 13.961 -0.743 1.00 0.00 N ATOM 0 H LYS A 90 -2.422 15.251 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 90 -5.034 14.474 -3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -5.068 13.936 -1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.020 15.259 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.757 16.771 -0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.602 16.103 -1.775 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.482 14.797 0.986 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.830 15.744 0.390 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.133 13.711 -1.577 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.350 12.956 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.434 13.108 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.496 14.064 0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.286 14.795 -1.322 1.00 0.00 H new ATOM 1224 N HIS A 91 -5.144 16.609 -4.467 1.00 0.00 N ATOM 1225 CA HIS A 91 -5.469 17.868 -5.117 1.00 0.00 C ATOM 1226 C HIS A 91 -6.244 18.761 -4.146 1.00 0.00 C ATOM 1227 O HIS A 91 -5.659 19.618 -3.484 1.00 0.00 O ATOM 1228 CB HIS A 91 -6.222 17.623 -6.426 1.00 0.00 C ATOM 1229 CG HIS A 91 -5.433 16.847 -7.453 1.00 0.00 C ATOM 1230 ND1 HIS A 91 -6.033 16.102 -8.453 1.00 0.00 N ATOM 1231 CD2 HIS A 91 -4.087 16.708 -7.624 1.00 0.00 C ATOM 1232 CE1 HIS A 91 -5.081 15.544 -9.186 1.00 0.00 C ATOM 1233 NE2 HIS A 91 -3.876 15.920 -8.670 1.00 0.00 N ATOM 0 H HIS A 91 -5.253 15.784 -5.057 1.00 0.00 H new ATOM 0 HA HIS A 91 -4.551 18.392 -5.385 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.144 17.083 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.509 18.584 -6.853 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.322 17.163 -7.011 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.233 14.904 -10.042 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.963 15.641 -9.029 1.00 0.00 H new ATOM 1240 N VAL A 92 -7.547 18.531 -4.091 1.00 0.00 N ATOM 1241 CA VAL A 92 -8.408 19.304 -3.212 1.00 0.00 C ATOM 1242 C VAL A 92 -8.534 18.586 -1.867 1.00 0.00 C ATOM 1243 O VAL A 92 -8.408 17.365 -1.798 1.00 0.00 O ATOM 1244 CB VAL A 92 -9.759 19.551 -3.887 1.00 0.00 C ATOM 1245 CG1 VAL A 92 -9.598 20.426 -5.131 1.00 0.00 C ATOM 1246 CG2 VAL A 92 -10.450 18.230 -4.229 1.00 0.00 C ATOM 0 H VAL A 92 -8.028 17.820 -4.641 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.973 20.284 -3.017 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.394 20.087 -3.182 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -10.573 20.586 -5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.169 21.387 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -8.938 19.929 -5.842 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -11.408 18.434 -4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -9.820 17.655 -4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -10.615 17.659 -3.316 1.00 0.00 H new ATOM 1256 N SER A 93 -8.780 19.375 -0.832 1.00 0.00 N ATOM 1257 CA SER A 93 -8.924 18.830 0.508 1.00 0.00 C ATOM 1258 C SER A 93 -9.973 19.626 1.287 1.00 0.00 C ATOM 1259 O SER A 93 -10.992 19.077 1.701 1.00 0.00 O ATOM 1260 CB SER A 93 -7.587 18.839 1.253 1.00 0.00 C ATOM 1261 OG SER A 93 -7.594 17.956 2.372 1.00 0.00 O ATOM 0 H SER A 93 -8.883 20.388 -0.894 1.00 0.00 H new ATOM 0 HA SER A 93 -9.254 17.795 0.423 1.00 0.00 H new ATOM 0 HB2 SER A 93 -6.789 18.551 0.569 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.367 19.852 1.591 1.00 0.00 H new ATOM 0 HG SER A 93 -6.723 17.989 2.820 1.00 0.00 H new ATOM 1266 N GLY A 94 -9.685 20.907 1.463 1.00 0.00 N ATOM 1267 CA GLY A 94 -10.591 21.784 2.186 1.00 0.00 C ATOM 1268 C GLY A 94 -10.467 23.227 1.692 1.00 0.00 C ATOM 1269 O GLY A 94 -9.497 23.576 1.021 1.00 0.00 O ATOM 0 H GLY A 94 -8.838 21.359 1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -11.617 21.439 2.058 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -10.371 21.741 3.253 1.00 0.00 H new ATOM 1273 N PRO A 95 -11.490 24.047 2.052 1.00 0.00 N ATOM 1274 CA PRO A 95 -11.504 25.445 1.653 1.00 0.00 C ATOM 1275 C PRO A 95 -10.511 26.263 2.482 1.00 0.00 C ATOM 1276 O PRO A 95 -9.790 27.100 1.942 1.00 0.00 O ATOM 1277 CB PRO A 95 -12.945 25.892 1.842 1.00 0.00 C ATOM 1278 CG PRO A 95 -13.580 24.873 2.773 1.00 0.00 C ATOM 1279 CD PRO A 95 -12.655 23.669 2.846 1.00 0.00 C ATOM 0 HA PRO A 95 -11.186 25.591 0.621 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.990 26.893 2.270 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.470 25.930 0.888 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.728 25.302 3.764 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.562 24.578 2.403 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -12.377 23.446 3.876 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.135 22.776 2.445 1.00 0.00 H new ATOM 1284 N SER A 96 -10.506 25.990 3.777 1.00 0.00 N ATOM 1285 CA SER A 96 -9.613 26.690 4.686 1.00 0.00 C ATOM 1286 C SER A 96 -8.168 26.562 4.201 1.00 0.00 C ATOM 1287 O SER A 96 -7.881 25.783 3.293 1.00 0.00 O ATOM 1288 CB SER A 96 -9.743 26.150 6.112 1.00 0.00 C ATOM 1289 OG SER A 96 -9.185 24.844 6.241 1.00 0.00 O ATOM 0 H SER A 96 -11.106 25.294 4.220 1.00 0.00 H new ATOM 0 HA SER A 96 -9.895 27.743 4.698 1.00 0.00 H new ATOM 0 HB2 SER A 96 -9.243 26.828 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.795 26.124 6.396 1.00 0.00 H new ATOM 0 HG SER A 96 -9.286 24.535 7.166 1.00 0.00 H new ATOM 1294 N SER A 97 -7.296 27.338 4.827 1.00 0.00 N ATOM 1295 CA SER A 97 -5.887 27.323 4.470 1.00 0.00 C ATOM 1296 C SER A 97 -5.127 26.360 5.383 1.00 0.00 C ATOM 1297 O SER A 97 -4.631 26.759 6.436 1.00 0.00 O ATOM 1298 CB SER A 97 -5.282 28.725 4.554 1.00 0.00 C ATOM 1299 OG SER A 97 -5.429 29.292 5.852 1.00 0.00 O ATOM 0 H SER A 97 -7.538 27.982 5.580 1.00 0.00 H new ATOM 0 HA SER A 97 -5.799 26.981 3.439 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.224 28.679 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.762 29.372 3.819 1.00 0.00 H new ATOM 0 HG SER A 97 -5.192 28.625 6.529 1.00 0.00 H new ATOM 1304 N GLY A 98 -5.058 25.111 4.948 1.00 0.00 N ATOM 1305 CA GLY A 98 -4.366 24.088 5.714 1.00 0.00 C ATOM 1306 C GLY A 98 -2.850 24.279 5.639 1.00 0.00 C ATOM 1307 O GLY A 98 -2.289 24.411 4.553 1.00 0.00 O ATOM 0 H GLY A 98 -5.470 24.784 4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -4.690 24.126 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -4.631 23.102 5.333 1.00 0.00 H new TER 1311 GLY A 98