USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 990 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 92 HIS : no HD1:sc= -0.182 X(o=-0.038,f=0.0081) USER MOD Set 1.2: A 123 TYR OH : rot -94:sc= 0.143 USER MOD Set 2.1: A 46 MET CE :methyl 165:sc= -4.64! (180deg=-6.52!) USER MOD Set 2.2: A 48 MET CE :methyl -118:sc= -5.74! (180deg=-8.49!) USER MOD Set 2.3: A 87 THR OG1 : rot 84:sc= 0.131 USER MOD Set 3.1: A 18 GLN : amide:sc=0.000417 K(o=-0.4,f=-1.5) USER MOD Set 3.2: A 21 THR OG1 : rot -160:sc= -0.399 USER MOD Single : A 0 HIS : no HD1:sc= -0.0302 X(o=-0.03,f=-0.18) USER MOD Single : A 1 MET CE :methyl 140:sc= -1.26 (180deg=-2.47) USER MOD Single : A 5 SER OG : rot 43:sc= 0.477 USER MOD Single : A 6 SER OG : rot 180:sc= 0.137 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 GLY N :NH3+ -135:sc= 0.0843 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 168:sc= -1.21 USER MOD Single : A 24 GLN : amide:sc= -2.17 K(o=-2.2,f=-1.5) USER MOD Single : A 33 ASN : amide:sc= -3.72 X(o=-3.7,f=-4.1) USER MOD Single : A 36 ASN : amide:sc= -4.85 X(o=-4.8,f=-5.1!) USER MOD Single : A 44 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.9!) USER MOD Single : A 47 MET CE :methyl -159:sc= -0.884 (180deg=-1.88) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.16 K(o=-2.2,f=-0.97) USER MOD Single : A 60 HIS : no HE2:sc= -6.78! C(o=-6.8!,f=-11!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.46! USER MOD Single : A 77 HIS : no HD1:sc= -5.81! K(o=-5.8!,f=-2.9) USER MOD Single : A 101 CYS SG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.22) USER MOD Single : A 117 HIS : no HD1:sc= -6.05 K(o=-6,f=-11!) USER MOD Single : A 125 HIS : no HD1:sc= -4.04! C(o=-4!,f=-4!) USER MOD Single : A 128 THR OG1 : rot -92:sc= 0.999 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -5 96.077 2.344 -36.795 1.00 0.00 N ATOM 2 CA GLY A -5 96.978 1.310 -37.379 1.00 0.00 C ATOM 3 C GLY A -5 97.227 0.206 -36.350 1.00 0.00 C ATOM 4 O GLY A -5 96.435 -0.008 -35.452 1.00 0.00 O ATOM 0 H1 GLY A -5 95.345 2.598 -37.489 1.00 0.00 H new ATOM 0 H2 GLY A -5 95.625 1.967 -35.938 1.00 0.00 H new ATOM 0 H3 GLY A -5 96.631 3.189 -36.551 1.00 0.00 H new ATOM 0 HA2 GLY A -5 96.529 0.888 -38.278 1.00 0.00 H new ATOM 0 HA3 GLY A -5 97.923 1.763 -37.677 1.00 0.00 H new ATOM 10 N SER A -4 98.321 -0.497 -36.473 1.00 0.00 N ATOM 11 CA SER A -4 98.622 -1.590 -35.502 1.00 0.00 C ATOM 12 C SER A -4 99.174 -1.001 -34.195 1.00 0.00 C ATOM 13 O SER A -4 99.973 -0.086 -34.222 1.00 0.00 O ATOM 14 CB SER A -4 99.679 -2.452 -36.191 1.00 0.00 C ATOM 15 OG SER A -4 100.324 -3.271 -35.224 1.00 0.00 O ATOM 0 H SER A -4 99.020 -0.362 -37.204 1.00 0.00 H new ATOM 0 HA SER A -4 97.735 -2.166 -35.240 1.00 0.00 H new ATOM 0 HB2 SER A -4 99.215 -3.072 -36.958 1.00 0.00 H new ATOM 0 HB3 SER A -4 100.410 -1.818 -36.693 1.00 0.00 H new ATOM 0 HG SER A -4 101.001 -3.826 -35.665 1.00 0.00 H new ATOM 21 N PRO A -3 98.727 -1.543 -33.089 1.00 0.00 N ATOM 22 CA PRO A -3 99.190 -1.054 -31.766 1.00 0.00 C ATOM 23 C PRO A -3 100.633 -1.498 -31.507 1.00 0.00 C ATOM 24 O PRO A -3 101.410 -0.787 -30.902 1.00 0.00 O ATOM 25 CB PRO A -3 98.234 -1.721 -30.782 1.00 0.00 C ATOM 26 CG PRO A -3 97.751 -2.948 -31.486 1.00 0.00 C ATOM 27 CD PRO A -3 97.761 -2.643 -32.960 1.00 0.00 C ATOM 0 HA PRO A -3 99.186 0.033 -31.687 1.00 0.00 H new ATOM 0 HB2 PRO A -3 98.739 -1.974 -29.850 1.00 0.00 H new ATOM 0 HB3 PRO A -3 97.406 -1.060 -30.527 1.00 0.00 H new ATOM 0 HG2 PRO A -3 98.395 -3.799 -31.264 1.00 0.00 H new ATOM 0 HG3 PRO A -3 96.747 -3.213 -31.154 1.00 0.00 H new ATOM 0 HD2 PRO A -3 98.064 -3.511 -33.545 1.00 0.00 H new ATOM 0 HD3 PRO A -3 96.773 -2.350 -33.314 1.00 0.00 H new ATOM 35 N GLY A -2 100.995 -2.671 -31.959 1.00 0.00 N ATOM 36 CA GLY A -2 102.387 -3.161 -31.736 1.00 0.00 C ATOM 37 C GLY A -2 102.339 -4.506 -31.007 1.00 0.00 C ATOM 38 O GLY A -2 101.851 -4.606 -29.898 1.00 0.00 O ATOM 0 H GLY A -2 100.387 -3.310 -32.472 1.00 0.00 H new ATOM 0 HA2 GLY A -2 102.904 -3.269 -32.690 1.00 0.00 H new ATOM 0 HA3 GLY A -2 102.950 -2.436 -31.149 1.00 0.00 H new ATOM 42 N ILE A -1 102.842 -5.542 -31.624 1.00 0.00 N ATOM 43 CA ILE A -1 102.827 -6.884 -30.969 1.00 0.00 C ATOM 44 C ILE A -1 103.701 -6.865 -29.711 1.00 0.00 C ATOM 45 O ILE A -1 103.885 -5.836 -29.090 1.00 0.00 O ATOM 46 CB ILE A -1 103.391 -7.846 -32.019 1.00 0.00 C ATOM 47 CG1 ILE A -1 104.823 -7.429 -32.387 1.00 0.00 C ATOM 48 CG2 ILE A -1 102.512 -7.806 -33.272 1.00 0.00 C ATOM 49 CD1 ILE A -1 105.812 -8.506 -31.922 1.00 0.00 C ATOM 0 H ILE A -1 103.263 -5.518 -32.553 1.00 0.00 H new ATOM 0 HA ILE A -1 101.828 -7.182 -30.650 1.00 0.00 H new ATOM 0 HB ILE A -1 103.402 -8.857 -31.612 1.00 0.00 H new ATOM 0 HG12 ILE A -1 104.905 -7.287 -33.465 1.00 0.00 H new ATOM 0 HG13 ILE A -1 105.065 -6.474 -31.921 1.00 0.00 H new ATOM 0 HG21 ILE A -1 102.913 -8.490 -34.020 1.00 0.00 H new ATOM 0 HG22 ILE A -1 101.496 -8.105 -33.014 1.00 0.00 H new ATOM 0 HG23 ILE A -1 102.500 -6.794 -33.676 1.00 0.00 H new ATOM 0 HD11 ILE A -1 106.826 -8.206 -32.185 1.00 0.00 H new ATOM 0 HD12 ILE A -1 105.738 -8.626 -30.841 1.00 0.00 H new ATOM 0 HD13 ILE A -1 105.575 -9.452 -32.409 1.00 0.00 H new ATOM 61 N HIS A 0 104.235 -7.995 -29.323 1.00 0.00 N ATOM 62 CA HIS A 0 105.089 -8.042 -28.099 1.00 0.00 C ATOM 63 C HIS A 0 106.193 -6.979 -28.166 1.00 0.00 C ATOM 64 O HIS A 0 106.121 -5.964 -27.503 1.00 0.00 O ATOM 65 CB HIS A 0 105.694 -9.447 -28.091 1.00 0.00 C ATOM 66 CG HIS A 0 104.610 -10.458 -27.841 1.00 0.00 C ATOM 67 ND1 HIS A 0 104.102 -11.261 -28.850 1.00 0.00 N ATOM 68 CD2 HIS A 0 103.927 -10.809 -26.703 1.00 0.00 C ATOM 69 CE1 HIS A 0 103.157 -12.048 -28.305 1.00 0.00 C ATOM 70 NE2 HIS A 0 103.009 -11.813 -26.998 1.00 0.00 N ATOM 0 H HIS A 0 104.116 -8.888 -29.802 1.00 0.00 H new ATOM 0 HA HIS A 0 104.516 -7.837 -27.194 1.00 0.00 H new ATOM 0 HB2 HIS A 0 106.182 -9.650 -29.044 1.00 0.00 H new ATOM 0 HB3 HIS A 0 106.460 -9.520 -27.319 1.00 0.00 H new ATOM 0 HD2 HIS A 0 104.079 -10.372 -25.727 1.00 0.00 H new ATOM 0 HE1 HIS A 0 102.587 -12.781 -28.857 1.00 0.00 H new ATOM 0 HE2 HIS A 0 102.363 -12.271 -26.355 1.00 0.00 H new ATOM 78 N MET A 1 107.209 -7.212 -28.964 1.00 0.00 N ATOM 79 CA MET A 1 108.343 -6.232 -29.099 1.00 0.00 C ATOM 80 C MET A 1 108.596 -5.475 -27.788 1.00 0.00 C ATOM 81 O MET A 1 108.059 -4.408 -27.558 1.00 0.00 O ATOM 82 CB MET A 1 107.934 -5.269 -30.224 1.00 0.00 C ATOM 83 CG MET A 1 106.521 -4.725 -29.985 1.00 0.00 C ATOM 84 SD MET A 1 106.220 -3.307 -31.073 1.00 0.00 S ATOM 85 CE MET A 1 106.632 -4.114 -32.641 1.00 0.00 C ATOM 0 H MET A 1 107.304 -8.051 -29.537 1.00 0.00 H new ATOM 0 HA MET A 1 109.277 -6.744 -29.330 1.00 0.00 H new ATOM 0 HB2 MET A 1 108.643 -4.443 -30.278 1.00 0.00 H new ATOM 0 HB3 MET A 1 107.973 -5.785 -31.183 1.00 0.00 H new ATOM 0 HG2 MET A 1 105.784 -5.505 -30.176 1.00 0.00 H new ATOM 0 HG3 MET A 1 106.407 -4.427 -28.943 1.00 0.00 H new ATOM 0 HE1 MET A 1 105.929 -3.794 -33.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 107.644 -3.838 -32.937 1.00 0.00 H new ATOM 0 HE3 MET A 1 106.571 -5.196 -32.521 1.00 0.00 H new ATOM 95 N LEU A 2 109.414 -6.024 -26.929 1.00 0.00 N ATOM 96 CA LEU A 2 109.707 -5.344 -25.632 1.00 0.00 C ATOM 97 C LEU A 2 110.406 -4.005 -25.882 1.00 0.00 C ATOM 98 O LEU A 2 111.596 -3.953 -26.124 1.00 0.00 O ATOM 99 CB LEU A 2 110.645 -6.300 -24.885 1.00 0.00 C ATOM 100 CG LEU A 2 109.834 -7.382 -24.158 1.00 0.00 C ATOM 101 CD1 LEU A 2 108.871 -6.731 -23.161 1.00 0.00 C ATOM 102 CD2 LEU A 2 109.032 -8.199 -25.175 1.00 0.00 C ATOM 0 H LEU A 2 109.892 -6.914 -27.069 1.00 0.00 H new ATOM 0 HA LEU A 2 108.800 -5.132 -25.066 1.00 0.00 H new ATOM 0 HB2 LEU A 2 111.337 -6.765 -25.588 1.00 0.00 H new ATOM 0 HB3 LEU A 2 111.247 -5.743 -24.167 1.00 0.00 H new ATOM 0 HG LEU A 2 110.521 -8.038 -23.623 1.00 0.00 H new ATOM 0 HD11 LEU A 2 108.299 -7.505 -22.649 1.00 0.00 H new ATOM 0 HD12 LEU A 2 109.439 -6.156 -22.430 1.00 0.00 H new ATOM 0 HD13 LEU A 2 108.189 -6.068 -23.694 1.00 0.00 H new ATOM 0 HD21 LEU A 2 108.458 -8.966 -24.654 1.00 0.00 H new ATOM 0 HD22 LEU A 2 108.352 -7.541 -25.715 1.00 0.00 H new ATOM 0 HD23 LEU A 2 109.715 -8.673 -25.880 1.00 0.00 H new ATOM 114 N GLY A 3 109.677 -2.920 -25.825 1.00 0.00 N ATOM 115 CA GLY A 3 110.307 -1.588 -26.061 1.00 0.00 C ATOM 116 C GLY A 3 109.523 -0.503 -25.320 1.00 0.00 C ATOM 117 O GLY A 3 108.322 -0.593 -25.159 1.00 0.00 O ATOM 0 H GLY A 3 108.677 -2.899 -25.626 1.00 0.00 H new ATOM 0 HA2 GLY A 3 111.342 -1.599 -25.718 1.00 0.00 H new ATOM 0 HA3 GLY A 3 110.327 -1.369 -27.129 1.00 0.00 H new ATOM 121 N GLY A 4 110.194 0.523 -24.869 1.00 0.00 N ATOM 122 CA GLY A 4 109.488 1.616 -24.140 1.00 0.00 C ATOM 123 C GLY A 4 108.866 1.052 -22.863 1.00 0.00 C ATOM 124 O GLY A 4 108.658 -0.139 -22.741 1.00 0.00 O ATOM 0 H GLY A 4 111.200 0.651 -24.974 1.00 0.00 H new ATOM 0 HA2 GLY A 4 110.187 2.416 -23.895 1.00 0.00 H new ATOM 0 HA3 GLY A 4 108.715 2.051 -24.773 1.00 0.00 H new ATOM 128 N SER A 5 108.562 1.894 -21.912 1.00 0.00 N ATOM 129 CA SER A 5 107.949 1.392 -20.649 1.00 0.00 C ATOM 130 C SER A 5 107.429 2.557 -19.806 1.00 0.00 C ATOM 131 O SER A 5 108.194 3.307 -19.231 1.00 0.00 O ATOM 132 CB SER A 5 109.076 0.667 -19.919 1.00 0.00 C ATOM 133 OG SER A 5 110.224 1.503 -19.882 1.00 0.00 O ATOM 0 H SER A 5 108.711 2.902 -21.954 1.00 0.00 H new ATOM 0 HA SER A 5 107.099 0.737 -20.841 1.00 0.00 H new ATOM 0 HB2 SER A 5 108.764 0.412 -18.906 1.00 0.00 H new ATOM 0 HB3 SER A 5 109.310 -0.269 -20.425 1.00 0.00 H new ATOM 0 HG SER A 5 109.954 2.420 -19.666 1.00 0.00 H new ATOM 139 N SER A 6 106.135 2.710 -19.726 1.00 0.00 N ATOM 140 CA SER A 6 105.564 3.823 -18.913 1.00 0.00 C ATOM 141 C SER A 6 105.573 3.443 -17.431 1.00 0.00 C ATOM 142 O SER A 6 105.639 4.291 -16.563 1.00 0.00 O ATOM 143 CB SER A 6 104.125 4.002 -19.407 1.00 0.00 C ATOM 144 OG SER A 6 103.946 3.300 -20.630 1.00 0.00 O ATOM 0 H SER A 6 105.449 2.113 -20.188 1.00 0.00 H new ATOM 0 HA SER A 6 106.141 4.742 -19.019 1.00 0.00 H new ATOM 0 HB2 SER A 6 103.425 3.631 -18.658 1.00 0.00 H new ATOM 0 HB3 SER A 6 103.909 5.061 -19.549 1.00 0.00 H new ATOM 0 HG SER A 6 103.024 3.416 -20.942 1.00 0.00 H new ATOM 150 N ASP A 7 105.506 2.171 -17.135 1.00 0.00 N ATOM 151 CA ASP A 7 105.507 1.735 -15.707 1.00 0.00 C ATOM 152 C ASP A 7 106.787 2.212 -15.014 1.00 0.00 C ATOM 153 O ASP A 7 106.772 2.594 -13.861 1.00 0.00 O ATOM 154 CB ASP A 7 105.456 0.208 -15.755 1.00 0.00 C ATOM 155 CG ASP A 7 104.189 -0.236 -16.489 1.00 0.00 C ATOM 156 OD1 ASP A 7 103.178 0.430 -16.339 1.00 0.00 O ATOM 157 OD2 ASP A 7 104.252 -1.232 -17.190 1.00 0.00 O ATOM 0 H ASP A 7 105.451 1.416 -17.819 1.00 0.00 H new ATOM 0 HA ASP A 7 104.668 2.149 -15.147 1.00 0.00 H new ATOM 0 HB2 ASP A 7 106.339 -0.180 -16.263 1.00 0.00 H new ATOM 0 HB3 ASP A 7 105.465 -0.199 -14.744 1.00 0.00 H new ATOM 162 N ALA A 8 107.889 2.200 -15.714 1.00 0.00 N ATOM 163 CA ALA A 8 109.170 2.660 -15.102 1.00 0.00 C ATOM 164 C ALA A 8 109.056 4.132 -14.688 1.00 0.00 C ATOM 165 O ALA A 8 109.814 4.617 -13.871 1.00 0.00 O ATOM 166 CB ALA A 8 110.218 2.485 -16.201 1.00 0.00 C ATOM 0 H ALA A 8 107.958 1.891 -16.684 1.00 0.00 H new ATOM 0 HA ALA A 8 109.428 2.098 -14.204 1.00 0.00 H new ATOM 0 HB1 ALA A 8 111.192 2.803 -15.829 1.00 0.00 H new ATOM 0 HB2 ALA A 8 110.266 1.436 -16.494 1.00 0.00 H new ATOM 0 HB3 ALA A 8 109.944 3.091 -17.065 1.00 0.00 H new ATOM 172 N GLY A 9 108.109 4.843 -15.246 1.00 0.00 N ATOM 173 CA GLY A 9 107.936 6.281 -14.886 1.00 0.00 C ATOM 174 C GLY A 9 107.714 6.410 -13.376 1.00 0.00 C ATOM 175 O GLY A 9 108.005 7.430 -12.783 1.00 0.00 O ATOM 0 H GLY A 9 107.448 4.488 -15.937 1.00 0.00 H new ATOM 0 HA2 GLY A 9 108.817 6.849 -15.184 1.00 0.00 H new ATOM 0 HA3 GLY A 9 107.088 6.702 -15.426 1.00 0.00 H new ATOM 179 N LEU A 10 107.200 5.382 -12.752 1.00 0.00 N ATOM 180 CA LEU A 10 106.958 5.443 -11.280 1.00 0.00 C ATOM 181 C LEU A 10 108.286 5.585 -10.532 1.00 0.00 C ATOM 182 O LEU A 10 108.379 6.282 -9.541 1.00 0.00 O ATOM 183 CB LEU A 10 106.285 4.114 -10.932 1.00 0.00 C ATOM 184 CG LEU A 10 104.939 4.017 -11.654 1.00 0.00 C ATOM 185 CD1 LEU A 10 104.386 2.597 -11.520 1.00 0.00 C ATOM 186 CD2 LEU A 10 103.956 5.008 -11.029 1.00 0.00 C ATOM 0 H LEU A 10 106.937 4.503 -13.198 1.00 0.00 H new ATOM 0 HA LEU A 10 106.342 6.297 -10.998 1.00 0.00 H new ATOM 0 HB2 LEU A 10 106.926 3.282 -11.224 1.00 0.00 H new ATOM 0 HB3 LEU A 10 106.138 4.040 -9.855 1.00 0.00 H new ATOM 0 HG LEU A 10 105.075 4.253 -12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 10 103.428 2.530 -12.035 1.00 0.00 H new ATOM 0 HD12 LEU A 10 105.087 1.890 -11.964 1.00 0.00 H new ATOM 0 HD13 LEU A 10 104.249 2.358 -10.465 1.00 0.00 H new ATOM 0 HD21 LEU A 10 102.996 4.941 -11.542 1.00 0.00 H new ATOM 0 HD22 LEU A 10 103.821 4.770 -9.974 1.00 0.00 H new ATOM 0 HD23 LEU A 10 104.349 6.020 -11.126 1.00 0.00 H new ATOM 198 N ALA A 11 109.316 4.931 -11.001 1.00 0.00 N ATOM 199 CA ALA A 11 110.640 5.029 -10.317 1.00 0.00 C ATOM 200 C ALA A 11 111.325 6.348 -10.683 1.00 0.00 C ATOM 201 O ALA A 11 111.793 7.072 -9.826 1.00 0.00 O ATOM 202 CB ALA A 11 111.448 3.842 -10.839 1.00 0.00 C ATOM 0 H ALA A 11 109.298 4.334 -11.828 1.00 0.00 H new ATOM 0 HA ALA A 11 110.546 5.009 -9.231 1.00 0.00 H new ATOM 0 HB1 ALA A 11 112.437 3.845 -10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 11 110.935 2.914 -10.588 1.00 0.00 H new ATOM 0 HB3 ALA A 11 111.550 3.919 -11.922 1.00 0.00 H new ATOM 208 N THR A 12 111.384 6.665 -11.949 1.00 0.00 N ATOM 209 CA THR A 12 112.037 7.940 -12.374 1.00 0.00 C ATOM 210 C THR A 12 111.380 9.133 -11.671 1.00 0.00 C ATOM 211 O THR A 12 112.038 9.922 -11.022 1.00 0.00 O ATOM 212 CB THR A 12 111.817 8.028 -13.888 1.00 0.00 C ATOM 213 OG1 THR A 12 110.423 8.045 -14.165 1.00 0.00 O ATOM 214 CG2 THR A 12 112.463 6.824 -14.576 1.00 0.00 C ATOM 0 H THR A 12 111.008 6.097 -12.708 1.00 0.00 H new ATOM 0 HA THR A 12 113.096 7.958 -12.117 1.00 0.00 H new ATOM 0 HB THR A 12 112.273 8.943 -14.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 110.279 8.293 -15.102 1.00 0.00 H new ATOM 0 HG21 THR A 12 112.304 6.891 -15.652 1.00 0.00 H new ATOM 0 HG22 THR A 12 113.533 6.816 -14.367 1.00 0.00 H new ATOM 0 HG23 THR A 12 112.013 5.905 -14.199 1.00 0.00 H new ATOM 222 N ALA A 13 110.085 9.267 -11.794 1.00 0.00 N ATOM 223 CA ALA A 13 109.385 10.406 -11.129 1.00 0.00 C ATOM 224 C ALA A 13 109.557 10.314 -9.611 1.00 0.00 C ATOM 225 O ALA A 13 109.640 11.314 -8.925 1.00 0.00 O ATOM 226 CB ALA A 13 107.912 10.249 -11.512 1.00 0.00 C ATOM 0 H ALA A 13 109.483 8.638 -12.325 1.00 0.00 H new ATOM 0 HA ALA A 13 109.783 11.372 -11.438 1.00 0.00 H new ATOM 0 HB1 ALA A 13 107.331 11.052 -11.059 1.00 0.00 H new ATOM 0 HB2 ALA A 13 107.811 10.295 -12.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 107.543 9.288 -11.154 1.00 0.00 H new ATOM 232 N ALA A 14 109.612 9.120 -9.085 1.00 0.00 N ATOM 233 CA ALA A 14 109.781 8.957 -7.612 1.00 0.00 C ATOM 234 C ALA A 14 111.218 9.294 -7.206 1.00 0.00 C ATOM 235 O ALA A 14 111.452 9.974 -6.225 1.00 0.00 O ATOM 236 CB ALA A 14 109.479 7.482 -7.340 1.00 0.00 C ATOM 0 H ALA A 14 109.547 8.249 -9.612 1.00 0.00 H new ATOM 0 HA ALA A 14 109.126 9.618 -7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 14 109.582 7.280 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 14 108.461 7.255 -7.656 1.00 0.00 H new ATOM 0 HB3 ALA A 14 110.179 6.859 -7.897 1.00 0.00 H new ATOM 242 N ALA A 15 112.180 8.826 -7.954 1.00 0.00 N ATOM 243 CA ALA A 15 113.605 9.119 -7.616 1.00 0.00 C ATOM 244 C ALA A 15 113.859 10.627 -7.661 1.00 0.00 C ATOM 245 O ALA A 15 114.714 11.144 -6.970 1.00 0.00 O ATOM 246 CB ALA A 15 114.423 8.404 -8.692 1.00 0.00 C ATOM 0 H ALA A 15 112.042 8.252 -8.786 1.00 0.00 H new ATOM 0 HA ALA A 15 113.869 8.783 -6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 15 115.485 8.572 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 15 114.214 7.335 -8.658 1.00 0.00 H new ATOM 0 HB3 ALA A 15 114.154 8.795 -9.673 1.00 0.00 H new ATOM 252 N ARG A 16 113.119 11.335 -8.472 1.00 0.00 N ATOM 253 CA ARG A 16 113.312 12.812 -8.567 1.00 0.00 C ATOM 254 C ARG A 16 112.769 13.497 -7.310 1.00 0.00 C ATOM 255 O ARG A 16 113.224 14.556 -6.923 1.00 0.00 O ATOM 256 CB ARG A 16 112.509 13.233 -9.798 1.00 0.00 C ATOM 257 CG ARG A 16 112.664 14.739 -10.023 1.00 0.00 C ATOM 258 CD ARG A 16 111.755 15.175 -11.173 1.00 0.00 C ATOM 259 NE ARG A 16 112.156 16.579 -11.468 1.00 0.00 N ATOM 260 CZ ARG A 16 111.301 17.399 -12.014 1.00 0.00 C ATOM 261 NH1 ARG A 16 110.137 17.595 -11.457 1.00 0.00 N ATOM 262 NH2 ARG A 16 111.609 18.023 -13.118 1.00 0.00 N ATOM 0 H ARG A 16 112.388 10.954 -9.073 1.00 0.00 H new ATOM 0 HA ARG A 16 114.363 13.090 -8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 16 112.856 12.687 -10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 16 111.457 12.982 -9.662 1.00 0.00 H new ATOM 0 HG2 ARG A 16 112.406 15.282 -9.114 1.00 0.00 H new ATOM 0 HG3 ARG A 16 113.702 14.979 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 16 111.887 14.535 -12.045 1.00 0.00 H new ATOM 0 HD3 ARG A 16 110.704 15.115 -10.890 1.00 0.00 H new ATOM 0 HE ARG A 16 113.098 16.899 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 16 109.896 17.107 -10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 16 109.469 18.236 -11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 112.518 17.869 -13.554 1.00 0.00 H new ATOM 0 HH22 ARG A 16 110.940 18.664 -13.545 1.00 0.00 H new ATOM 276 N GLY A 17 111.796 12.901 -6.672 1.00 0.00 N ATOM 277 CA GLY A 17 111.220 13.514 -5.441 1.00 0.00 C ATOM 278 C GLY A 17 109.819 14.051 -5.745 1.00 0.00 C ATOM 279 O GLY A 17 109.359 14.991 -5.128 1.00 0.00 O ATOM 0 H GLY A 17 111.375 12.015 -6.952 1.00 0.00 H new ATOM 0 HA2 GLY A 17 111.172 12.774 -4.642 1.00 0.00 H new ATOM 0 HA3 GLY A 17 111.862 14.322 -5.089 1.00 0.00 H new ATOM 283 N GLN A 18 109.140 13.462 -6.694 1.00 0.00 N ATOM 284 CA GLN A 18 107.769 13.940 -7.040 1.00 0.00 C ATOM 285 C GLN A 18 106.713 12.953 -6.532 1.00 0.00 C ATOM 286 O GLN A 18 106.905 11.753 -6.560 1.00 0.00 O ATOM 287 CB GLN A 18 107.747 14.006 -8.570 1.00 0.00 C ATOM 288 CG GLN A 18 107.906 15.460 -9.029 1.00 0.00 C ATOM 289 CD GLN A 18 106.750 16.305 -8.485 1.00 0.00 C ATOM 290 OE1 GLN A 18 106.955 17.413 -8.031 1.00 0.00 O ATOM 291 NE2 GLN A 18 105.536 15.827 -8.512 1.00 0.00 N ATOM 0 H GLN A 18 109.475 12.671 -7.244 1.00 0.00 H new ATOM 0 HA GLN A 18 107.544 14.904 -6.584 1.00 0.00 H new ATOM 0 HB2 GLN A 18 108.551 13.395 -8.981 1.00 0.00 H new ATOM 0 HB3 GLN A 18 106.810 13.596 -8.947 1.00 0.00 H new ATOM 0 HG2 GLN A 18 108.857 15.860 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 18 107.922 15.508 -10.118 1.00 0.00 H new ATOM 0 HE21 GLN A 18 105.362 14.897 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 18 104.761 16.384 -8.152 1.00 0.00 H new ATOM 300 N VAL A 19 105.598 13.454 -6.072 1.00 0.00 N ATOM 301 CA VAL A 19 104.521 12.554 -5.564 1.00 0.00 C ATOM 302 C VAL A 19 103.333 12.566 -6.530 1.00 0.00 C ATOM 303 O VAL A 19 102.889 11.536 -6.997 1.00 0.00 O ATOM 304 CB VAL A 19 104.120 13.140 -4.206 1.00 0.00 C ATOM 305 CG1 VAL A 19 102.958 12.343 -3.616 1.00 0.00 C ATOM 306 CG2 VAL A 19 105.310 13.065 -3.253 1.00 0.00 C ATOM 0 H VAL A 19 105.386 14.451 -6.026 1.00 0.00 H new ATOM 0 HA VAL A 19 104.850 11.519 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 19 103.815 14.178 -4.341 1.00 0.00 H new ATOM 0 HG11 VAL A 19 102.679 12.766 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 19 102.105 12.389 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 19 103.260 11.304 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 19 105.028 13.481 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 19 105.610 12.025 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 19 106.142 13.636 -3.665 1.00 0.00 H new ATOM 316 N GLU A 20 102.819 13.729 -6.830 1.00 0.00 N ATOM 317 CA GLU A 20 101.657 13.820 -7.766 1.00 0.00 C ATOM 318 C GLU A 20 101.982 13.124 -9.090 1.00 0.00 C ATOM 319 O GLU A 20 101.117 12.564 -9.737 1.00 0.00 O ATOM 320 CB GLU A 20 101.448 15.317 -7.992 1.00 0.00 C ATOM 321 CG GLU A 20 99.992 15.577 -8.381 1.00 0.00 C ATOM 322 CD GLU A 20 99.084 15.252 -7.194 1.00 0.00 C ATOM 323 OE1 GLU A 20 99.485 15.522 -6.074 1.00 0.00 O ATOM 324 OE2 GLU A 20 98.000 14.742 -7.426 1.00 0.00 O ATOM 0 H GLU A 20 103.153 14.622 -6.468 1.00 0.00 H new ATOM 0 HA GLU A 20 100.767 13.336 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 101.698 15.870 -7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 20 102.114 15.673 -8.778 1.00 0.00 H new ATOM 0 HG2 GLU A 20 99.863 16.618 -8.677 1.00 0.00 H new ATOM 0 HG3 GLU A 20 99.719 14.965 -9.241 1.00 0.00 H new ATOM 331 N THR A 21 103.221 13.157 -9.499 1.00 0.00 N ATOM 332 CA THR A 21 103.604 12.499 -10.782 1.00 0.00 C ATOM 333 C THR A 21 103.337 10.994 -10.707 1.00 0.00 C ATOM 334 O THR A 21 102.556 10.454 -11.467 1.00 0.00 O ATOM 335 CB THR A 21 105.101 12.774 -10.939 1.00 0.00 C ATOM 336 OG1 THR A 21 105.373 14.121 -10.579 1.00 0.00 O ATOM 337 CG2 THR A 21 105.515 12.539 -12.392 1.00 0.00 C ATOM 0 H THR A 21 103.986 13.611 -9.000 1.00 0.00 H new ATOM 0 HA THR A 21 103.030 12.879 -11.627 1.00 0.00 H new ATOM 0 HB THR A 21 105.664 12.103 -10.290 1.00 0.00 H new ATOM 0 HG1 THR A 21 106.230 14.396 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 21 106.581 12.735 -12.503 1.00 0.00 H new ATOM 0 HG22 THR A 21 105.306 11.505 -12.667 1.00 0.00 H new ATOM 0 HG23 THR A 21 104.953 13.209 -13.043 1.00 0.00 H new ATOM 345 N VAL A 22 103.977 10.312 -9.795 1.00 0.00 N ATOM 346 CA VAL A 22 103.758 8.839 -9.669 1.00 0.00 C ATOM 347 C VAL A 22 102.294 8.551 -9.328 1.00 0.00 C ATOM 348 O VAL A 22 101.767 7.503 -9.647 1.00 0.00 O ATOM 349 CB VAL A 22 104.674 8.394 -8.526 1.00 0.00 C ATOM 350 CG1 VAL A 22 104.561 6.879 -8.339 1.00 0.00 C ATOM 351 CG2 VAL A 22 106.123 8.755 -8.861 1.00 0.00 C ATOM 0 H VAL A 22 104.642 10.710 -9.132 1.00 0.00 H new ATOM 0 HA VAL A 22 103.979 8.309 -10.595 1.00 0.00 H new ATOM 0 HB VAL A 22 104.375 8.899 -7.607 1.00 0.00 H new ATOM 0 HG11 VAL A 22 105.214 6.563 -7.525 1.00 0.00 H new ATOM 0 HG12 VAL A 22 103.530 6.618 -8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 22 104.859 6.376 -9.259 1.00 0.00 H new ATOM 0 HG21 VAL A 22 106.775 8.438 -8.047 1.00 0.00 H new ATOM 0 HG22 VAL A 22 106.420 8.251 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 22 106.208 9.833 -8.994 1.00 0.00 H new ATOM 361 N ARG A 23 101.634 9.474 -8.680 1.00 0.00 N ATOM 362 CA ARG A 23 100.201 9.257 -8.316 1.00 0.00 C ATOM 363 C ARG A 23 99.336 9.216 -9.579 1.00 0.00 C ATOM 364 O ARG A 23 98.462 8.384 -9.717 1.00 0.00 O ATOM 365 CB ARG A 23 99.825 10.462 -7.445 1.00 0.00 C ATOM 366 CG ARG A 23 99.149 9.981 -6.154 1.00 0.00 C ATOM 367 CD ARG A 23 100.017 10.353 -4.948 1.00 0.00 C ATOM 368 NE ARG A 23 99.051 10.656 -3.854 1.00 0.00 N ATOM 369 CZ ARG A 23 99.236 10.157 -2.662 1.00 0.00 C ATOM 370 NH1 ARG A 23 100.437 10.106 -2.155 1.00 0.00 N ATOM 371 NH2 ARG A 23 98.220 9.708 -1.976 1.00 0.00 N ATOM 0 H ARG A 23 102.024 10.369 -8.386 1.00 0.00 H new ATOM 0 HA ARG A 23 100.046 8.313 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 23 100.717 11.041 -7.205 1.00 0.00 H new ATOM 0 HB3 ARG A 23 99.154 11.123 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 23 98.162 10.434 -6.058 1.00 0.00 H new ATOM 0 HG3 ARG A 23 99.002 8.902 -6.189 1.00 0.00 H new ATOM 0 HD2 ARG A 23 100.681 9.534 -4.672 1.00 0.00 H new ATOM 0 HD3 ARG A 23 100.648 11.215 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 23 98.245 11.254 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 23 101.232 10.456 -2.690 1.00 0.00 H new ATOM 0 HH12 ARG A 23 100.581 9.716 -1.224 1.00 0.00 H new ATOM 0 HH21 ARG A 23 97.281 9.747 -2.371 1.00 0.00 H new ATOM 0 HH22 ARG A 23 98.366 9.318 -1.045 1.00 0.00 H new ATOM 385 N GLN A 24 99.576 10.111 -10.499 1.00 0.00 N ATOM 386 CA GLN A 24 98.769 10.134 -11.755 1.00 0.00 C ATOM 387 C GLN A 24 98.977 8.842 -12.553 1.00 0.00 C ATOM 388 O GLN A 24 98.056 8.313 -13.144 1.00 0.00 O ATOM 389 CB GLN A 24 99.296 11.336 -12.541 1.00 0.00 C ATOM 390 CG GLN A 24 98.220 11.826 -13.511 1.00 0.00 C ATOM 391 CD GLN A 24 98.076 10.827 -14.661 1.00 0.00 C ATOM 392 OE1 GLN A 24 98.961 10.699 -15.484 1.00 0.00 O ATOM 393 NE2 GLN A 24 96.991 10.107 -14.751 1.00 0.00 N ATOM 0 H GLN A 24 100.298 10.829 -10.436 1.00 0.00 H new ATOM 0 HA GLN A 24 97.701 10.210 -11.553 1.00 0.00 H new ATOM 0 HB2 GLN A 24 99.575 12.137 -11.856 1.00 0.00 H new ATOM 0 HB3 GLN A 24 100.196 11.058 -13.090 1.00 0.00 H new ATOM 0 HG2 GLN A 24 97.269 11.937 -12.990 1.00 0.00 H new ATOM 0 HG3 GLN A 24 98.486 12.809 -13.900 1.00 0.00 H new ATOM 0 HE21 GLN A 24 96.249 10.215 -14.060 1.00 0.00 H new ATOM 0 HE22 GLN A 24 96.886 9.436 -15.512 1.00 0.00 H new ATOM 402 N LEU A 25 100.181 8.335 -12.579 1.00 0.00 N ATOM 403 CA LEU A 25 100.449 7.082 -13.345 1.00 0.00 C ATOM 404 C LEU A 25 99.794 5.879 -12.658 1.00 0.00 C ATOM 405 O LEU A 25 99.183 5.046 -13.298 1.00 0.00 O ATOM 406 CB LEU A 25 101.971 6.935 -13.344 1.00 0.00 C ATOM 407 CG LEU A 25 102.544 7.548 -14.623 1.00 0.00 C ATOM 408 CD1 LEU A 25 104.048 7.762 -14.460 1.00 0.00 C ATOM 409 CD2 LEU A 25 102.290 6.604 -15.800 1.00 0.00 C ATOM 0 H LEU A 25 100.990 8.734 -12.103 1.00 0.00 H new ATOM 0 HA LEU A 25 100.041 7.126 -14.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 102.394 7.430 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 25 102.245 5.882 -13.278 1.00 0.00 H new ATOM 0 HG LEU A 25 102.060 8.506 -14.812 1.00 0.00 H new ATOM 0 HD11 LEU A 25 104.454 8.199 -15.372 1.00 0.00 H new ATOM 0 HD12 LEU A 25 104.231 8.435 -13.623 1.00 0.00 H new ATOM 0 HD13 LEU A 25 104.533 6.805 -14.269 1.00 0.00 H new ATOM 0 HD21 LEU A 25 102.698 7.041 -16.711 1.00 0.00 H new ATOM 0 HD22 LEU A 25 102.773 5.646 -15.609 1.00 0.00 H new ATOM 0 HD23 LEU A 25 101.217 6.452 -15.920 1.00 0.00 H new ATOM 421 N LEU A 26 99.923 5.779 -11.363 1.00 0.00 N ATOM 422 CA LEU A 26 99.312 4.626 -10.638 1.00 0.00 C ATOM 423 C LEU A 26 97.785 4.689 -10.722 1.00 0.00 C ATOM 424 O LEU A 26 97.143 3.767 -11.186 1.00 0.00 O ATOM 425 CB LEU A 26 99.779 4.770 -9.191 1.00 0.00 C ATOM 426 CG LEU A 26 101.131 4.076 -9.024 1.00 0.00 C ATOM 427 CD1 LEU A 26 101.753 4.478 -7.687 1.00 0.00 C ATOM 428 CD2 LEU A 26 100.931 2.559 -9.056 1.00 0.00 C ATOM 0 H LEU A 26 100.424 6.445 -10.775 1.00 0.00 H new ATOM 0 HA LEU A 26 99.610 3.669 -11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 26 99.864 5.824 -8.928 1.00 0.00 H new ATOM 0 HB3 LEU A 26 99.046 4.330 -8.515 1.00 0.00 H new ATOM 0 HG LEU A 26 101.794 4.375 -9.836 1.00 0.00 H new ATOM 0 HD11 LEU A 26 102.717 3.982 -7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 26 101.896 5.558 -7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 26 101.091 4.181 -6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 26 101.894 2.062 -8.937 1.00 0.00 H new ATOM 0 HD22 LEU A 26 100.267 2.262 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 26 100.489 2.270 -10.010 1.00 0.00 H new ATOM 440 N GLU A 27 97.197 5.769 -10.279 1.00 0.00 N ATOM 441 CA GLU A 27 95.707 5.887 -10.336 1.00 0.00 C ATOM 442 C GLU A 27 95.213 5.633 -11.764 1.00 0.00 C ATOM 443 O GLU A 27 94.088 5.225 -11.978 1.00 0.00 O ATOM 444 CB GLU A 27 95.401 7.325 -9.909 1.00 0.00 C ATOM 445 CG GLU A 27 94.834 7.328 -8.487 1.00 0.00 C ATOM 446 CD GLU A 27 95.984 7.330 -7.478 1.00 0.00 C ATOM 447 OE1 GLU A 27 96.965 8.009 -7.730 1.00 0.00 O ATOM 448 OE2 GLU A 27 95.864 6.652 -6.471 1.00 0.00 O ATOM 0 H GLU A 27 97.681 6.574 -9.881 1.00 0.00 H new ATOM 0 HA GLU A 27 95.211 5.160 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 27 96.308 7.928 -9.951 1.00 0.00 H new ATOM 0 HB3 GLU A 27 94.686 7.775 -10.598 1.00 0.00 H new ATOM 0 HG2 GLU A 27 94.204 8.205 -8.337 1.00 0.00 H new ATOM 0 HG3 GLU A 27 94.203 6.452 -8.334 1.00 0.00 H new ATOM 455 N ALA A 28 96.050 5.865 -12.741 1.00 0.00 N ATOM 456 CA ALA A 28 95.634 5.634 -14.155 1.00 0.00 C ATOM 457 C ALA A 28 95.693 4.139 -14.482 1.00 0.00 C ATOM 458 O ALA A 28 94.680 3.500 -14.691 1.00 0.00 O ATOM 459 CB ALA A 28 96.647 6.407 -15.000 1.00 0.00 C ATOM 0 H ALA A 28 97.004 6.205 -12.620 1.00 0.00 H new ATOM 0 HA ALA A 28 94.612 5.963 -14.344 1.00 0.00 H new ATOM 0 HB1 ALA A 28 96.407 6.286 -16.056 1.00 0.00 H new ATOM 0 HB2 ALA A 28 96.608 7.464 -14.738 1.00 0.00 H new ATOM 0 HB3 ALA A 28 97.649 6.023 -14.809 1.00 0.00 H new ATOM 465 N GLY A 29 96.873 3.577 -14.523 1.00 0.00 N ATOM 466 CA GLY A 29 97.003 2.134 -14.832 1.00 0.00 C ATOM 467 C GLY A 29 98.482 1.754 -14.918 1.00 0.00 C ATOM 468 O GLY A 29 98.909 1.088 -15.842 1.00 0.00 O ATOM 0 H GLY A 29 97.753 4.064 -14.354 1.00 0.00 H new ATOM 0 HA2 GLY A 29 96.510 1.542 -14.061 1.00 0.00 H new ATOM 0 HA3 GLY A 29 96.505 1.908 -15.775 1.00 0.00 H new ATOM 472 N ALA A 30 99.270 2.171 -13.961 1.00 0.00 N ATOM 473 CA ALA A 30 100.723 1.832 -13.986 1.00 0.00 C ATOM 474 C ALA A 30 100.957 0.464 -13.341 1.00 0.00 C ATOM 475 O ALA A 30 100.071 -0.103 -12.733 1.00 0.00 O ATOM 476 CB ALA A 30 101.400 2.934 -13.171 1.00 0.00 C ATOM 0 H ALA A 30 98.970 2.732 -13.164 1.00 0.00 H new ATOM 0 HA ALA A 30 101.118 1.775 -15.000 1.00 0.00 H new ATOM 0 HB1 ALA A 30 102.475 2.756 -13.141 1.00 0.00 H new ATOM 0 HB2 ALA A 30 101.205 3.901 -13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.004 2.931 -12.156 1.00 0.00 H new ATOM 482 N ASP A 31 102.144 -0.068 -13.466 1.00 0.00 N ATOM 483 CA ASP A 31 102.434 -1.400 -12.859 1.00 0.00 C ATOM 484 C ASP A 31 102.951 -1.223 -11.424 1.00 0.00 C ATOM 485 O ASP A 31 103.908 -0.510 -11.200 1.00 0.00 O ATOM 486 CB ASP A 31 103.517 -2.013 -13.746 1.00 0.00 C ATOM 487 CG ASP A 31 103.551 -3.529 -13.540 1.00 0.00 C ATOM 488 OD1 ASP A 31 103.858 -3.950 -12.437 1.00 0.00 O ATOM 489 OD2 ASP A 31 103.267 -4.242 -14.489 1.00 0.00 O ATOM 0 H ASP A 31 102.925 0.362 -13.962 1.00 0.00 H new ATOM 0 HA ASP A 31 101.548 -2.032 -12.804 1.00 0.00 H new ATOM 0 HB2 ASP A 31 103.318 -1.782 -14.793 1.00 0.00 H new ATOM 0 HB3 ASP A 31 104.488 -1.581 -13.503 1.00 0.00 H new ATOM 494 N PRO A 32 102.301 -1.879 -10.493 1.00 0.00 N ATOM 495 CA PRO A 32 102.713 -1.780 -9.071 1.00 0.00 C ATOM 496 C PRO A 32 104.014 -2.554 -8.830 1.00 0.00 C ATOM 497 O PRO A 32 104.689 -2.354 -7.839 1.00 0.00 O ATOM 498 CB PRO A 32 101.552 -2.419 -8.316 1.00 0.00 C ATOM 499 CG PRO A 32 100.910 -3.344 -9.299 1.00 0.00 C ATOM 500 CD PRO A 32 101.138 -2.761 -10.669 1.00 0.00 C ATOM 0 HA PRO A 32 102.910 -0.756 -8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 32 101.903 -2.960 -7.437 1.00 0.00 H new ATOM 0 HB3 PRO A 32 100.847 -1.665 -7.966 1.00 0.00 H new ATOM 0 HG2 PRO A 32 101.342 -4.342 -9.228 1.00 0.00 H new ATOM 0 HG3 PRO A 32 99.844 -3.443 -9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 32 101.336 -3.539 -11.406 1.00 0.00 H new ATOM 0 HD3 PRO A 32 100.266 -2.207 -11.017 1.00 0.00 H new ATOM 508 N ASN A 33 104.371 -3.435 -9.727 1.00 0.00 N ATOM 509 CA ASN A 33 105.627 -4.220 -9.547 1.00 0.00 C ATOM 510 C ASN A 33 106.515 -4.082 -10.787 1.00 0.00 C ATOM 511 O ASN A 33 107.132 -5.032 -11.228 1.00 0.00 O ATOM 512 CB ASN A 33 105.170 -5.670 -9.370 1.00 0.00 C ATOM 513 CG ASN A 33 105.385 -6.103 -7.918 1.00 0.00 C ATOM 514 OD1 ASN A 33 105.966 -7.138 -7.660 1.00 0.00 O ATOM 515 ND2 ASN A 33 104.938 -5.348 -6.953 1.00 0.00 N ATOM 0 H ASN A 33 103.847 -3.645 -10.577 1.00 0.00 H new ATOM 0 HA ASN A 33 106.213 -3.874 -8.695 1.00 0.00 H new ATOM 0 HB2 ASN A 33 104.117 -5.765 -9.636 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.729 -6.322 -10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 33 105.076 -5.627 -5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 33 104.450 -4.479 -7.170 1.00 0.00 H new ATOM 522 N ALA A 34 106.583 -2.906 -11.350 1.00 0.00 N ATOM 523 CA ALA A 34 107.431 -2.704 -12.562 1.00 0.00 C ATOM 524 C ALA A 34 108.913 -2.742 -12.183 1.00 0.00 C ATOM 525 O ALA A 34 109.422 -1.843 -11.540 1.00 0.00 O ATOM 526 CB ALA A 34 107.048 -1.321 -13.092 1.00 0.00 C ATOM 0 H ALA A 34 106.088 -2.076 -11.024 1.00 0.00 H new ATOM 0 HA ALA A 34 107.274 -3.483 -13.308 1.00 0.00 H new ATOM 0 HB1 ALA A 34 107.631 -1.100 -13.986 1.00 0.00 H new ATOM 0 HB2 ALA A 34 105.986 -1.307 -13.339 1.00 0.00 H new ATOM 0 HB3 ALA A 34 107.253 -0.570 -12.330 1.00 0.00 H new ATOM 532 N LEU A 35 109.610 -3.773 -12.577 1.00 0.00 N ATOM 533 CA LEU A 35 111.062 -3.868 -12.243 1.00 0.00 C ATOM 534 C LEU A 35 111.855 -2.870 -13.093 1.00 0.00 C ATOM 535 O LEU A 35 112.158 -3.122 -14.242 1.00 0.00 O ATOM 536 CB LEU A 35 111.451 -5.312 -12.582 1.00 0.00 C ATOM 537 CG LEU A 35 112.781 -5.689 -11.910 1.00 0.00 C ATOM 538 CD1 LEU A 35 113.922 -4.890 -12.540 1.00 0.00 C ATOM 539 CD2 LEU A 35 112.717 -5.388 -10.410 1.00 0.00 C ATOM 0 H LEU A 35 109.237 -4.555 -13.116 1.00 0.00 H new ATOM 0 HA LEU A 35 111.272 -3.631 -11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 110.666 -5.992 -12.252 1.00 0.00 H new ATOM 0 HB3 LEU A 35 111.539 -5.426 -13.662 1.00 0.00 H new ATOM 0 HG LEU A 35 112.959 -6.755 -12.054 1.00 0.00 H new ATOM 0 HD11 LEU A 35 114.863 -5.160 -12.061 1.00 0.00 H new ATOM 0 HD12 LEU A 35 113.979 -5.115 -13.605 1.00 0.00 H new ATOM 0 HD13 LEU A 35 113.738 -3.824 -12.404 1.00 0.00 H new ATOM 0 HD21 LEU A 35 113.664 -5.659 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 35 112.530 -4.325 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 35 111.911 -5.966 -9.957 1.00 0.00 H new ATOM 551 N ASN A 36 112.189 -1.738 -12.532 1.00 0.00 N ATOM 552 CA ASN A 36 112.960 -0.713 -13.301 1.00 0.00 C ATOM 553 C ASN A 36 114.245 -1.324 -13.867 1.00 0.00 C ATOM 554 O ASN A 36 114.527 -2.490 -13.672 1.00 0.00 O ATOM 555 CB ASN A 36 113.291 0.383 -12.284 1.00 0.00 C ATOM 556 CG ASN A 36 111.996 0.930 -11.679 1.00 0.00 C ATOM 557 OD1 ASN A 36 111.775 0.825 -10.489 1.00 0.00 O ATOM 558 ND2 ASN A 36 111.124 1.514 -12.455 1.00 0.00 N ATOM 0 H ASN A 36 111.961 -1.477 -11.573 1.00 0.00 H new ATOM 0 HA ASN A 36 112.394 -0.327 -14.149 1.00 0.00 H new ATOM 0 HB2 ASN A 36 113.931 -0.018 -11.498 1.00 0.00 H new ATOM 0 HB3 ASN A 36 113.846 1.187 -12.768 1.00 0.00 H new ATOM 0 HD21 ASN A 36 110.258 1.882 -12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 36 111.309 1.602 -13.454 1.00 0.00 H new ATOM 565 N ARG A 37 115.028 -0.544 -14.566 1.00 0.00 N ATOM 566 CA ARG A 37 116.296 -1.081 -15.144 1.00 0.00 C ATOM 567 C ARG A 37 117.468 -0.815 -14.192 1.00 0.00 C ATOM 568 O ARG A 37 118.613 -0.789 -14.598 1.00 0.00 O ATOM 569 CB ARG A 37 116.487 -0.319 -16.458 1.00 0.00 C ATOM 570 CG ARG A 37 116.425 -1.299 -17.633 1.00 0.00 C ATOM 571 CD ARG A 37 116.200 -0.527 -18.936 1.00 0.00 C ATOM 572 NE ARG A 37 114.812 0.015 -18.835 1.00 0.00 N ATOM 573 CZ ARG A 37 113.787 -0.797 -18.797 1.00 0.00 C ATOM 574 NH1 ARG A 37 113.817 -1.928 -19.450 1.00 0.00 N ATOM 575 NH2 ARG A 37 112.728 -0.474 -18.104 1.00 0.00 N ATOM 0 H ARG A 37 114.845 0.440 -14.761 1.00 0.00 H new ATOM 0 HA ARG A 37 116.254 -2.159 -15.300 1.00 0.00 H new ATOM 0 HB2 ARG A 37 115.714 0.442 -16.565 1.00 0.00 H new ATOM 0 HB3 ARG A 37 117.446 0.199 -16.454 1.00 0.00 H new ATOM 0 HG2 ARG A 37 117.352 -1.870 -17.692 1.00 0.00 H new ATOM 0 HG3 ARG A 37 115.618 -2.016 -17.479 1.00 0.00 H new ATOM 0 HD2 ARG A 37 116.929 0.276 -19.049 1.00 0.00 H new ATOM 0 HD3 ARG A 37 116.306 -1.179 -19.803 1.00 0.00 H new ATOM 0 HE ARG A 37 114.662 1.023 -18.795 1.00 0.00 H new ATOM 0 HH11 ARG A 37 114.642 -2.182 -19.993 1.00 0.00 H new ATOM 0 HH12 ARG A 37 113.015 -2.557 -19.417 1.00 0.00 H new ATOM 0 HH21 ARG A 37 112.702 0.409 -17.594 1.00 0.00 H new ATOM 0 HH22 ARG A 37 111.927 -1.105 -18.072 1.00 0.00 H new ATOM 589 N PHE A 38 117.191 -0.624 -12.929 1.00 0.00 N ATOM 590 CA PHE A 38 118.289 -0.364 -11.953 1.00 0.00 C ATOM 591 C PHE A 38 118.432 -1.547 -10.990 1.00 0.00 C ATOM 592 O PHE A 38 118.966 -1.414 -9.907 1.00 0.00 O ATOM 593 CB PHE A 38 117.857 0.891 -11.192 1.00 0.00 C ATOM 594 CG PHE A 38 117.719 2.046 -12.155 1.00 0.00 C ATOM 595 CD1 PHE A 38 116.575 2.161 -12.951 1.00 0.00 C ATOM 596 CD2 PHE A 38 118.736 3.004 -12.249 1.00 0.00 C ATOM 597 CE1 PHE A 38 116.445 3.233 -13.842 1.00 0.00 C ATOM 598 CE2 PHE A 38 118.608 4.075 -13.140 1.00 0.00 C ATOM 599 CZ PHE A 38 117.461 4.191 -13.937 1.00 0.00 C ATOM 0 H PHE A 38 116.252 -0.637 -12.531 1.00 0.00 H new ATOM 0 HA PHE A 38 119.253 -0.233 -12.445 1.00 0.00 H new ATOM 0 HB2 PHE A 38 116.909 0.712 -10.685 1.00 0.00 H new ATOM 0 HB3 PHE A 38 118.590 1.132 -10.422 1.00 0.00 H new ATOM 0 HD1 PHE A 38 115.791 1.422 -12.878 1.00 0.00 H new ATOM 0 HD2 PHE A 38 119.619 2.916 -11.634 1.00 0.00 H new ATOM 0 HE1 PHE A 38 115.561 3.321 -14.456 1.00 0.00 H new ATOM 0 HE2 PHE A 38 119.393 4.813 -13.214 1.00 0.00 H new ATOM 0 HZ PHE A 38 117.361 5.019 -14.624 1.00 0.00 H new ATOM 609 N GLY A 39 117.959 -2.704 -11.377 1.00 0.00 N ATOM 610 CA GLY A 39 118.063 -3.895 -10.490 1.00 0.00 C ATOM 611 C GLY A 39 117.485 -3.565 -9.110 1.00 0.00 C ATOM 612 O GLY A 39 117.868 -4.146 -8.112 1.00 0.00 O ATOM 0 H GLY A 39 117.504 -2.873 -12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 39 117.524 -4.735 -10.929 1.00 0.00 H new ATOM 0 HA3 GLY A 39 119.105 -4.199 -10.395 1.00 0.00 H new ATOM 616 N ARG A 40 116.568 -2.637 -9.047 1.00 0.00 N ATOM 617 CA ARG A 40 115.966 -2.266 -7.733 1.00 0.00 C ATOM 618 C ARG A 40 114.439 -2.241 -7.834 1.00 0.00 C ATOM 619 O ARG A 40 113.862 -2.692 -8.804 1.00 0.00 O ATOM 620 CB ARG A 40 116.505 -0.866 -7.432 1.00 0.00 C ATOM 621 CG ARG A 40 117.814 -0.978 -6.647 1.00 0.00 C ATOM 622 CD ARG A 40 117.977 0.251 -5.748 1.00 0.00 C ATOM 623 NE ARG A 40 119.431 0.304 -5.425 1.00 0.00 N ATOM 624 CZ ARG A 40 119.872 1.156 -4.539 1.00 0.00 C ATOM 625 NH1 ARG A 40 119.413 2.378 -4.524 1.00 0.00 N ATOM 626 NH2 ARG A 40 120.770 0.785 -3.668 1.00 0.00 N ATOM 0 H ARG A 40 116.209 -2.119 -9.849 1.00 0.00 H new ATOM 0 HA ARG A 40 116.219 -2.980 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 40 116.672 -0.322 -8.362 1.00 0.00 H new ATOM 0 HB3 ARG A 40 115.772 -0.299 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 40 117.812 -1.886 -6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 40 118.657 -1.054 -7.334 1.00 0.00 H new ATOM 0 HD2 ARG A 40 117.653 1.158 -6.258 1.00 0.00 H new ATOM 0 HD3 ARG A 40 117.375 0.161 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 40 120.081 -0.325 -5.896 1.00 0.00 H new ATOM 0 HH11 ARG A 40 118.710 2.667 -5.204 1.00 0.00 H new ATOM 0 HH12 ARG A 40 119.757 3.044 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 40 121.127 -0.170 -3.679 1.00 0.00 H new ATOM 0 HH22 ARG A 40 121.115 1.450 -2.976 1.00 0.00 H new ATOM 640 N ARG A 41 113.783 -1.716 -6.833 1.00 0.00 N ATOM 641 CA ARG A 41 112.289 -1.655 -6.858 1.00 0.00 C ATOM 642 C ARG A 41 111.842 -0.220 -7.168 1.00 0.00 C ATOM 643 O ARG A 41 112.666 0.666 -7.282 1.00 0.00 O ATOM 644 CB ARG A 41 111.846 -2.073 -5.447 1.00 0.00 C ATOM 645 CG ARG A 41 112.691 -3.254 -4.949 1.00 0.00 C ATOM 646 CD ARG A 41 112.576 -4.429 -5.927 1.00 0.00 C ATOM 647 NE ARG A 41 113.978 -4.729 -6.339 1.00 0.00 N ATOM 648 CZ ARG A 41 114.266 -5.866 -6.916 1.00 0.00 C ATOM 649 NH1 ARG A 41 113.376 -6.473 -7.655 1.00 0.00 N ATOM 650 NH2 ARG A 41 115.447 -6.396 -6.755 1.00 0.00 N ATOM 0 H ARG A 41 114.217 -1.326 -5.997 1.00 0.00 H new ATOM 0 HA ARG A 41 111.853 -2.302 -7.620 1.00 0.00 H new ATOM 0 HB2 ARG A 41 111.947 -1.231 -4.763 1.00 0.00 H new ATOM 0 HB3 ARG A 41 110.792 -2.350 -5.457 1.00 0.00 H new ATOM 0 HG2 ARG A 41 113.734 -2.951 -4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 41 112.355 -3.560 -3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 41 112.111 -5.293 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 41 111.960 -4.167 -6.787 1.00 0.00 H new ATOM 0 HE ARG A 41 114.715 -4.044 -6.170 1.00 0.00 H new ATOM 0 HH11 ARG A 41 112.452 -6.060 -7.784 1.00 0.00 H new ATOM 0 HH12 ARG A 41 113.605 -7.360 -8.103 1.00 0.00 H new ATOM 0 HH21 ARG A 41 116.144 -5.923 -6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 41 115.673 -7.283 -7.204 1.00 0.00 H new ATOM 664 N PRO A 42 110.551 -0.024 -7.300 1.00 0.00 N ATOM 665 CA PRO A 42 110.024 1.331 -7.602 1.00 0.00 C ATOM 666 C PRO A 42 110.199 2.260 -6.396 1.00 0.00 C ATOM 667 O PRO A 42 110.178 3.468 -6.528 1.00 0.00 O ATOM 668 CB PRO A 42 108.549 1.086 -7.907 1.00 0.00 C ATOM 669 CG PRO A 42 108.215 -0.187 -7.200 1.00 0.00 C ATOM 670 CD PRO A 42 109.473 -1.017 -7.181 1.00 0.00 C ATOM 0 HA PRO A 42 110.543 1.818 -8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 42 107.930 1.910 -7.551 1.00 0.00 H new ATOM 0 HB3 PRO A 42 108.377 0.999 -8.980 1.00 0.00 H new ATOM 0 HG2 PRO A 42 107.869 0.013 -6.186 1.00 0.00 H new ATOM 0 HG3 PRO A 42 107.411 -0.715 -7.713 1.00 0.00 H new ATOM 0 HD2 PRO A 42 109.559 -1.592 -6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 42 109.494 -1.731 -8.005 1.00 0.00 H new ATOM 678 N ILE A 43 110.382 1.708 -5.225 1.00 0.00 N ATOM 679 CA ILE A 43 110.572 2.564 -4.018 1.00 0.00 C ATOM 680 C ILE A 43 112.050 2.571 -3.615 1.00 0.00 C ATOM 681 O ILE A 43 112.543 3.523 -3.042 1.00 0.00 O ATOM 682 CB ILE A 43 109.710 1.923 -2.926 1.00 0.00 C ATOM 683 CG1 ILE A 43 108.230 2.108 -3.280 1.00 0.00 C ATOM 684 CG2 ILE A 43 110.001 2.594 -1.580 1.00 0.00 C ATOM 685 CD1 ILE A 43 107.356 1.524 -2.167 1.00 0.00 C ATOM 0 H ILE A 43 110.408 0.703 -5.053 1.00 0.00 H new ATOM 0 HA ILE A 43 110.284 3.601 -4.193 1.00 0.00 H new ATOM 0 HB ILE A 43 109.941 0.860 -2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 43 108.007 3.167 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 43 108.008 1.615 -4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 43 109.386 2.136 -0.805 1.00 0.00 H new ATOM 0 HG22 ILE A 43 111.054 2.467 -1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 43 109.769 3.657 -1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 43 106.305 1.657 -2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 107.570 0.461 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 43 107.570 2.037 -1.229 1.00 0.00 H new ATOM 697 N GLN A 44 112.766 1.522 -3.919 1.00 0.00 N ATOM 698 CA GLN A 44 114.213 1.479 -3.558 1.00 0.00 C ATOM 699 C GLN A 44 114.956 2.632 -4.244 1.00 0.00 C ATOM 700 O GLN A 44 116.036 3.016 -3.835 1.00 0.00 O ATOM 701 CB GLN A 44 114.717 0.130 -4.073 1.00 0.00 C ATOM 702 CG GLN A 44 115.562 -0.548 -2.993 1.00 0.00 C ATOM 703 CD GLN A 44 115.526 -2.065 -3.191 1.00 0.00 C ATOM 704 OE1 GLN A 44 114.579 -2.718 -2.798 1.00 0.00 O ATOM 705 NE2 GLN A 44 116.523 -2.656 -3.790 1.00 0.00 N ATOM 0 H GLN A 44 112.413 0.695 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 44 114.376 1.585 -2.485 1.00 0.00 H new ATOM 0 HB2 GLN A 44 113.874 -0.506 -4.342 1.00 0.00 H new ATOM 0 HB3 GLN A 44 115.310 0.273 -4.977 1.00 0.00 H new ATOM 0 HG2 GLN A 44 116.590 -0.189 -3.042 1.00 0.00 H new ATOM 0 HG3 GLN A 44 115.182 -0.291 -2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 44 117.317 -2.108 -4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 44 116.508 -3.666 -3.929 1.00 0.00 H new ATOM 714 N VAL A 45 114.385 3.189 -5.281 1.00 0.00 N ATOM 715 CA VAL A 45 115.054 4.317 -5.991 1.00 0.00 C ATOM 716 C VAL A 45 114.102 5.515 -6.099 1.00 0.00 C ATOM 717 O VAL A 45 114.104 6.233 -7.079 1.00 0.00 O ATOM 718 CB VAL A 45 115.396 3.765 -7.378 1.00 0.00 C ATOM 719 CG1 VAL A 45 114.111 3.406 -8.128 1.00 0.00 C ATOM 720 CG2 VAL A 45 116.167 4.825 -8.169 1.00 0.00 C ATOM 0 H VAL A 45 113.483 2.910 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 45 115.942 4.670 -5.466 1.00 0.00 H new ATOM 0 HB VAL A 45 116.008 2.870 -7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 45 114.362 3.014 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 45 113.561 2.651 -7.567 1.00 0.00 H new ATOM 0 HG13 VAL A 45 113.493 4.297 -8.239 1.00 0.00 H new ATOM 0 HG21 VAL A 45 116.412 4.435 -9.157 1.00 0.00 H new ATOM 0 HG22 VAL A 45 115.553 5.719 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 45 117.086 5.077 -7.640 1.00 0.00 H new ATOM 730 N MET A 46 113.290 5.736 -5.097 1.00 0.00 N ATOM 731 CA MET A 46 112.342 6.890 -5.144 1.00 0.00 C ATOM 732 C MET A 46 112.935 8.095 -4.408 1.00 0.00 C ATOM 733 O MET A 46 112.223 8.890 -3.828 1.00 0.00 O ATOM 734 CB MET A 46 111.069 6.402 -4.443 1.00 0.00 C ATOM 735 CG MET A 46 111.385 5.997 -2.998 1.00 0.00 C ATOM 736 SD MET A 46 110.579 7.137 -1.846 1.00 0.00 S ATOM 737 CE MET A 46 110.484 5.999 -0.442 1.00 0.00 C ATOM 0 H MET A 46 113.242 5.169 -4.250 1.00 0.00 H new ATOM 0 HA MET A 46 112.140 7.210 -6.166 1.00 0.00 H new ATOM 0 HB2 MET A 46 110.315 7.189 -4.452 1.00 0.00 H new ATOM 0 HB3 MET A 46 110.650 5.553 -4.983 1.00 0.00 H new ATOM 0 HG2 MET A 46 111.043 4.979 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 46 112.463 6.005 -2.837 1.00 0.00 H new ATOM 0 HE1 MET A 46 110.264 6.560 0.467 1.00 0.00 H new ATOM 0 HE2 MET A 46 109.694 5.269 -0.618 1.00 0.00 H new ATOM 0 HE3 MET A 46 111.437 5.482 -0.328 1.00 0.00 H new ATOM 747 N MET A 47 114.241 8.230 -4.429 1.00 0.00 N ATOM 748 CA MET A 47 114.914 9.379 -3.736 1.00 0.00 C ATOM 749 C MET A 47 114.867 9.212 -2.210 1.00 0.00 C ATOM 750 O MET A 47 115.623 9.838 -1.494 1.00 0.00 O ATOM 751 CB MET A 47 114.148 10.636 -4.166 1.00 0.00 C ATOM 752 CG MET A 47 115.123 11.807 -4.305 1.00 0.00 C ATOM 753 SD MET A 47 115.394 12.564 -2.683 1.00 0.00 S ATOM 754 CE MET A 47 113.775 13.359 -2.530 1.00 0.00 C ATOM 0 H MET A 47 114.876 7.587 -4.901 1.00 0.00 H new ATOM 0 HA MET A 47 115.968 9.438 -4.007 1.00 0.00 H new ATOM 0 HB2 MET A 47 113.640 10.458 -5.114 1.00 0.00 H new ATOM 0 HB3 MET A 47 113.379 10.875 -3.431 1.00 0.00 H new ATOM 0 HG2 MET A 47 116.070 11.459 -4.718 1.00 0.00 H new ATOM 0 HG3 MET A 47 114.724 12.545 -5.001 1.00 0.00 H new ATOM 0 HE1 MET A 47 113.836 14.172 -1.807 1.00 0.00 H new ATOM 0 HE2 MET A 47 113.472 13.757 -3.498 1.00 0.00 H new ATOM 0 HE3 MET A 47 113.041 12.627 -2.193 1.00 0.00 H new ATOM 764 N MET A 48 113.995 8.373 -1.703 1.00 0.00 N ATOM 765 CA MET A 48 113.912 8.172 -0.224 1.00 0.00 C ATOM 766 C MET A 48 113.812 9.518 0.500 1.00 0.00 C ATOM 767 O MET A 48 114.194 9.647 1.648 1.00 0.00 O ATOM 768 CB MET A 48 115.211 7.455 0.149 1.00 0.00 C ATOM 769 CG MET A 48 114.935 5.963 0.346 1.00 0.00 C ATOM 770 SD MET A 48 114.437 5.222 -1.228 1.00 0.00 S ATOM 771 CE MET A 48 113.590 3.777 -0.540 1.00 0.00 C ATOM 0 H MET A 48 113.337 7.819 -2.251 1.00 0.00 H new ATOM 0 HA MET A 48 113.030 7.600 0.063 1.00 0.00 H new ATOM 0 HB2 MET A 48 115.955 7.597 -0.635 1.00 0.00 H new ATOM 0 HB3 MET A 48 115.625 7.882 1.062 1.00 0.00 H new ATOM 0 HG2 MET A 48 115.827 5.466 0.727 1.00 0.00 H new ATOM 0 HG3 MET A 48 114.150 5.824 1.089 1.00 0.00 H new ATOM 0 HE1 MET A 48 114.091 2.868 -0.873 1.00 0.00 H new ATOM 0 HE2 MET A 48 113.613 3.826 0.549 1.00 0.00 H new ATOM 0 HE3 MET A 48 112.555 3.766 -0.881 1.00 0.00 H new ATOM 781 N GLY A 49 113.298 10.521 -0.162 1.00 0.00 N ATOM 782 CA GLY A 49 113.169 11.857 0.485 1.00 0.00 C ATOM 783 C GLY A 49 111.717 12.327 0.397 1.00 0.00 C ATOM 784 O GLY A 49 111.439 13.510 0.357 1.00 0.00 O ATOM 0 H GLY A 49 112.962 10.471 -1.124 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.481 11.800 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 49 113.826 12.576 -0.006 1.00 0.00 H new ATOM 788 N SER A 50 110.787 11.409 0.364 1.00 0.00 N ATOM 789 CA SER A 50 109.350 11.801 0.277 1.00 0.00 C ATOM 790 C SER A 50 108.452 10.609 0.621 1.00 0.00 C ATOM 791 O SER A 50 108.223 9.738 -0.195 1.00 0.00 O ATOM 792 CB SER A 50 109.145 12.220 -1.179 1.00 0.00 C ATOM 793 OG SER A 50 108.310 13.370 -1.224 1.00 0.00 O ATOM 0 H SER A 50 110.961 10.404 0.394 1.00 0.00 H new ATOM 0 HA SER A 50 109.097 12.600 0.974 1.00 0.00 H new ATOM 0 HB2 SER A 50 110.106 12.436 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 50 108.692 11.405 -1.744 1.00 0.00 H new ATOM 0 HG SER A 50 108.178 13.642 -2.156 1.00 0.00 H new ATOM 799 N ALA A 51 107.937 10.567 1.822 1.00 0.00 N ATOM 800 CA ALA A 51 107.049 9.432 2.215 1.00 0.00 C ATOM 801 C ALA A 51 105.831 9.373 1.289 1.00 0.00 C ATOM 802 O ALA A 51 105.251 8.326 1.074 1.00 0.00 O ATOM 803 CB ALA A 51 106.615 9.740 3.650 1.00 0.00 C ATOM 0 H ALA A 51 108.092 11.268 2.547 1.00 0.00 H new ATOM 0 HA ALA A 51 107.555 8.469 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 51 105.958 8.948 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 51 107.494 9.801 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 51 106.083 10.691 3.673 1.00 0.00 H new ATOM 809 N GLN A 52 105.447 10.492 0.735 1.00 0.00 N ATOM 810 CA GLN A 52 104.271 10.514 -0.184 1.00 0.00 C ATOM 811 C GLN A 52 104.457 9.505 -1.321 1.00 0.00 C ATOM 812 O GLN A 52 103.503 8.968 -1.848 1.00 0.00 O ATOM 813 CB GLN A 52 104.229 11.933 -0.738 1.00 0.00 C ATOM 814 CG GLN A 52 104.044 12.969 0.378 1.00 0.00 C ATOM 815 CD GLN A 52 103.291 12.365 1.569 1.00 0.00 C ATOM 816 OE1 GLN A 52 102.077 12.350 1.590 1.00 0.00 O ATOM 817 NE2 GLN A 52 103.967 11.864 2.565 1.00 0.00 N ATOM 0 H GLN A 52 105.899 11.395 0.880 1.00 0.00 H new ATOM 0 HA GLN A 52 103.348 10.244 0.329 1.00 0.00 H new ATOM 0 HB2 GLN A 52 105.152 12.141 -1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 52 103.413 12.020 -1.455 1.00 0.00 H new ATOM 0 HG2 GLN A 52 105.018 13.334 0.706 1.00 0.00 H new ATOM 0 HG3 GLN A 52 103.495 13.828 -0.006 1.00 0.00 H new ATOM 0 HE21 GLN A 52 104.987 11.877 2.547 1.00 0.00 H new ATOM 0 HE22 GLN A 52 103.476 11.459 3.362 1.00 0.00 H new ATOM 826 N VAL A 53 105.679 9.244 -1.699 1.00 0.00 N ATOM 827 CA VAL A 53 105.927 8.268 -2.799 1.00 0.00 C ATOM 828 C VAL A 53 106.040 6.854 -2.226 1.00 0.00 C ATOM 829 O VAL A 53 105.651 5.887 -2.853 1.00 0.00 O ATOM 830 CB VAL A 53 107.250 8.706 -3.430 1.00 0.00 C ATOM 831 CG1 VAL A 53 107.578 7.795 -4.613 1.00 0.00 C ATOM 832 CG2 VAL A 53 107.127 10.151 -3.923 1.00 0.00 C ATOM 0 H VAL A 53 106.516 9.664 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 53 105.119 8.251 -3.531 1.00 0.00 H new ATOM 0 HB VAL A 53 108.045 8.639 -2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 53 108.521 8.107 -5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 53 107.665 6.765 -4.266 1.00 0.00 H new ATOM 0 HG13 VAL A 53 106.783 7.862 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 53 108.069 10.463 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 53 106.332 10.216 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 53 106.892 10.804 -3.082 1.00 0.00 H new ATOM 842 N ALA A 54 106.564 6.726 -1.036 1.00 0.00 N ATOM 843 CA ALA A 54 106.699 5.375 -0.415 1.00 0.00 C ATOM 844 C ALA A 54 105.313 4.771 -0.160 1.00 0.00 C ATOM 845 O ALA A 54 105.095 3.591 -0.353 1.00 0.00 O ATOM 846 CB ALA A 54 107.432 5.615 0.908 1.00 0.00 C ATOM 0 H ALA A 54 106.905 7.500 -0.466 1.00 0.00 H new ATOM 0 HA ALA A 54 107.238 4.678 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 54 107.570 4.665 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 54 108.405 6.064 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 54 106.844 6.287 1.533 1.00 0.00 H new ATOM 852 N GLU A 55 104.377 5.573 0.273 1.00 0.00 N ATOM 853 CA GLU A 55 103.005 5.049 0.546 1.00 0.00 C ATOM 854 C GLU A 55 102.210 4.918 -0.757 1.00 0.00 C ATOM 855 O GLU A 55 101.460 3.980 -0.943 1.00 0.00 O ATOM 856 CB GLU A 55 102.361 6.087 1.465 1.00 0.00 C ATOM 857 CG GLU A 55 101.356 5.398 2.390 1.00 0.00 C ATOM 858 CD GLU A 55 100.619 6.451 3.220 1.00 0.00 C ATOM 859 OE1 GLU A 55 101.260 7.087 4.040 1.00 0.00 O ATOM 860 OE2 GLU A 55 99.424 6.602 3.022 1.00 0.00 O ATOM 0 H GLU A 55 104.503 6.570 0.450 1.00 0.00 H new ATOM 0 HA GLU A 55 103.028 4.058 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 55 103.127 6.591 2.054 1.00 0.00 H new ATOM 0 HB3 GLU A 55 101.860 6.852 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 55 100.643 4.819 1.803 1.00 0.00 H new ATOM 0 HG3 GLU A 55 101.872 4.698 3.047 1.00 0.00 H new ATOM 867 N LEU A 56 102.364 5.854 -1.658 1.00 0.00 N ATOM 868 CA LEU A 56 101.613 5.785 -2.948 1.00 0.00 C ATOM 869 C LEU A 56 101.857 4.435 -3.635 1.00 0.00 C ATOM 870 O LEU A 56 100.934 3.692 -3.912 1.00 0.00 O ATOM 871 CB LEU A 56 102.171 6.937 -3.794 1.00 0.00 C ATOM 872 CG LEU A 56 101.664 6.823 -5.236 1.00 0.00 C ATOM 873 CD1 LEU A 56 100.134 6.886 -5.253 1.00 0.00 C ATOM 874 CD2 LEU A 56 102.230 7.977 -6.070 1.00 0.00 C ATOM 0 H LEU A 56 102.977 6.663 -1.557 1.00 0.00 H new ATOM 0 HA LEU A 56 100.536 5.872 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 101.867 7.893 -3.367 1.00 0.00 H new ATOM 0 HB3 LEU A 56 103.261 6.914 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 56 101.991 5.873 -5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 56 99.778 6.805 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 56 99.729 6.064 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 56 99.804 7.834 -4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 56 101.869 7.896 -7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 56 101.905 8.927 -5.645 1.00 0.00 H new ATOM 0 HD23 LEU A 56 103.319 7.931 -6.064 1.00 0.00 H new ATOM 886 N LEU A 57 103.090 4.113 -3.914 1.00 0.00 N ATOM 887 CA LEU A 57 103.386 2.814 -4.584 1.00 0.00 C ATOM 888 C LEU A 57 103.061 1.647 -3.644 1.00 0.00 C ATOM 889 O LEU A 57 102.740 0.560 -4.082 1.00 0.00 O ATOM 890 CB LEU A 57 104.883 2.853 -4.896 1.00 0.00 C ATOM 891 CG LEU A 57 105.126 3.742 -6.119 1.00 0.00 C ATOM 892 CD1 LEU A 57 106.498 4.407 -6.000 1.00 0.00 C ATOM 893 CD2 LEU A 57 105.083 2.888 -7.388 1.00 0.00 C ATOM 0 H LEU A 57 103.904 4.692 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 57 102.789 2.672 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU A 57 105.434 3.238 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 57 105.252 1.845 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 57 104.353 4.508 -6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 57 106.672 5.040 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 57 106.530 5.015 -5.096 1.00 0.00 H new ATOM 0 HD13 LEU A 57 107.271 3.640 -5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 57 105.256 3.521 -8.258 1.00 0.00 H new ATOM 0 HD22 LEU A 57 105.856 2.122 -7.337 1.00 0.00 H new ATOM 0 HD23 LEU A 57 104.106 2.412 -7.474 1.00 0.00 H new ATOM 905 N LEU A 58 103.145 1.864 -2.356 1.00 0.00 N ATOM 906 CA LEU A 58 102.844 0.761 -1.394 1.00 0.00 C ATOM 907 C LEU A 58 101.361 0.381 -1.455 1.00 0.00 C ATOM 908 O LEU A 58 101.013 -0.721 -1.830 1.00 0.00 O ATOM 909 CB LEU A 58 103.199 1.319 -0.014 1.00 0.00 C ATOM 910 CG LEU A 58 102.910 0.258 1.056 1.00 0.00 C ATOM 911 CD1 LEU A 58 104.224 -0.384 1.510 1.00 0.00 C ATOM 912 CD2 LEU A 58 102.213 0.910 2.257 1.00 0.00 C ATOM 0 H LEU A 58 103.408 2.753 -1.930 1.00 0.00 H new ATOM 0 HA LEU A 58 103.409 -0.142 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 58 104.251 1.604 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 58 102.619 2.220 0.186 1.00 0.00 H new ATOM 0 HG LEU A 58 102.259 -0.509 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 58 104.017 -1.137 2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 58 104.713 -0.854 0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 58 104.878 0.382 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 58 102.010 0.153 3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 102.859 1.681 2.678 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.275 1.360 1.933 1.00 0.00 H new ATOM 924 N LEU A 59 100.484 1.280 -1.078 1.00 0.00 N ATOM 925 CA LEU A 59 99.022 0.957 -1.108 1.00 0.00 C ATOM 926 C LEU A 59 98.635 0.368 -2.469 1.00 0.00 C ATOM 927 O LEU A 59 97.705 -0.406 -2.578 1.00 0.00 O ATOM 928 CB LEU A 59 98.303 2.288 -0.861 1.00 0.00 C ATOM 929 CG LEU A 59 98.580 3.255 -2.013 1.00 0.00 C ATOM 930 CD1 LEU A 59 97.485 3.115 -3.073 1.00 0.00 C ATOM 931 CD2 LEU A 59 98.590 4.691 -1.481 1.00 0.00 C ATOM 0 H LEU A 59 100.715 2.219 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 59 98.752 0.214 -0.358 1.00 0.00 H new ATOM 0 HB2 LEU A 59 97.230 2.119 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 59 98.640 2.724 0.079 1.00 0.00 H new ATOM 0 HG LEU A 59 99.548 3.022 -2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 59 97.683 3.804 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 59 97.474 2.093 -3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 59 96.517 3.348 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 59 98.787 5.381 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 59 97.621 4.922 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 59 99.369 4.794 -0.725 1.00 0.00 H new ATOM 943 N HIS A 60 99.349 0.723 -3.505 1.00 0.00 N ATOM 944 CA HIS A 60 99.028 0.175 -4.854 1.00 0.00 C ATOM 945 C HIS A 60 99.547 -1.262 -4.967 1.00 0.00 C ATOM 946 O HIS A 60 98.785 -2.194 -5.134 1.00 0.00 O ATOM 947 CB HIS A 60 99.749 1.093 -5.841 1.00 0.00 C ATOM 948 CG HIS A 60 98.796 2.153 -6.325 1.00 0.00 C ATOM 949 ND1 HIS A 60 98.739 3.414 -5.752 1.00 0.00 N ATOM 950 CD2 HIS A 60 97.855 2.152 -7.324 1.00 0.00 C ATOM 951 CE1 HIS A 60 97.792 4.113 -6.403 1.00 0.00 C ATOM 952 NE2 HIS A 60 97.221 3.391 -7.371 1.00 0.00 N ATOM 0 H HIS A 60 100.139 1.368 -3.475 1.00 0.00 H new ATOM 0 HA HIS A 60 97.956 0.144 -5.048 1.00 0.00 H new ATOM 0 HB2 HIS A 60 100.612 1.555 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 60 100.126 0.514 -6.684 1.00 0.00 H new ATOM 0 HD1 HIS A 60 99.311 3.751 -4.978 1.00 0.00 H new ATOM 0 HD2 HIS A 60 97.639 1.317 -7.975 1.00 0.00 H new ATOM 0 HE1 HIS A 60 97.526 5.134 -6.171 1.00 0.00 H new ATOM 960 N GLY A 61 100.838 -1.448 -4.874 1.00 0.00 N ATOM 961 CA GLY A 61 101.404 -2.815 -4.970 1.00 0.00 C ATOM 962 C GLY A 61 102.917 -2.738 -5.192 1.00 0.00 C ATOM 963 O GLY A 61 103.473 -3.476 -5.981 1.00 0.00 O ATOM 0 H GLY A 61 101.523 -0.705 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 61 101.189 -3.372 -4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 61 100.934 -3.356 -5.792 1.00 0.00 H new ATOM 967 N ALA A 62 103.586 -1.852 -4.504 1.00 0.00 N ATOM 968 CA ALA A 62 105.067 -1.732 -4.680 1.00 0.00 C ATOM 969 C ALA A 62 105.757 -3.045 -4.295 1.00 0.00 C ATOM 970 O ALA A 62 105.114 -4.052 -4.071 1.00 0.00 O ATOM 971 CB ALA A 62 105.495 -0.604 -3.736 1.00 0.00 C ATOM 0 H ALA A 62 103.175 -1.207 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 62 105.340 -1.521 -5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 62 106.573 -0.457 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 62 104.983 0.317 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 62 105.234 -0.869 -2.711 1.00 0.00 H new ATOM 977 N GLU A 63 107.062 -3.037 -4.216 1.00 0.00 N ATOM 978 CA GLU A 63 107.797 -4.283 -3.845 1.00 0.00 C ATOM 979 C GLU A 63 108.710 -4.023 -2.640 1.00 0.00 C ATOM 980 O GLU A 63 109.913 -3.942 -2.782 1.00 0.00 O ATOM 981 CB GLU A 63 108.627 -4.636 -5.080 1.00 0.00 C ATOM 982 CG GLU A 63 107.700 -5.072 -6.216 1.00 0.00 C ATOM 983 CD GLU A 63 108.528 -5.337 -7.475 1.00 0.00 C ATOM 984 OE1 GLU A 63 108.996 -6.454 -7.628 1.00 0.00 O ATOM 985 OE2 GLU A 63 108.681 -4.420 -8.266 1.00 0.00 O ATOM 0 H GLU A 63 107.650 -2.223 -4.392 1.00 0.00 H new ATOM 0 HA GLU A 63 107.122 -5.091 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 109.219 -3.775 -5.391 1.00 0.00 H new ATOM 0 HB3 GLU A 63 109.328 -5.436 -4.842 1.00 0.00 H new ATOM 0 HG2 GLU A 63 107.155 -5.971 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 63 106.958 -4.298 -6.412 1.00 0.00 H new ATOM 992 N PRO A 64 108.103 -3.901 -1.489 1.00 0.00 N ATOM 993 CA PRO A 64 108.872 -3.648 -0.250 1.00 0.00 C ATOM 994 C PRO A 64 109.478 -4.952 0.285 1.00 0.00 C ATOM 995 O PRO A 64 110.318 -4.939 1.163 1.00 0.00 O ATOM 996 CB PRO A 64 107.822 -3.107 0.715 1.00 0.00 C ATOM 997 CG PRO A 64 106.513 -3.650 0.230 1.00 0.00 C ATOM 998 CD PRO A 64 106.660 -3.983 -1.235 1.00 0.00 C ATOM 0 HA PRO A 64 109.707 -2.964 -0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 64 108.026 -3.428 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 64 107.817 -2.017 0.719 1.00 0.00 H new ATOM 0 HG2 PRO A 64 106.236 -4.539 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 64 105.719 -2.918 0.377 1.00 0.00 H new ATOM 0 HD2 PRO A 64 106.274 -4.978 -1.456 1.00 0.00 H new ATOM 0 HD3 PRO A 64 106.107 -3.281 -1.859 1.00 0.00 H new ATOM 1006 N ASN A 65 109.054 -6.077 -0.231 1.00 0.00 N ATOM 1007 CA ASN A 65 109.600 -7.378 0.255 1.00 0.00 C ATOM 1008 C ASN A 65 110.835 -7.786 -0.558 1.00 0.00 C ATOM 1009 O ASN A 65 111.864 -8.123 -0.008 1.00 0.00 O ATOM 1010 CB ASN A 65 108.465 -8.381 0.049 1.00 0.00 C ATOM 1011 CG ASN A 65 107.481 -8.288 1.217 1.00 0.00 C ATOM 1012 OD1 ASN A 65 107.748 -8.784 2.293 1.00 0.00 O ATOM 1013 ND2 ASN A 65 106.345 -7.667 1.049 1.00 0.00 N ATOM 0 H ASN A 65 108.353 -6.150 -0.968 1.00 0.00 H new ATOM 0 HA ASN A 65 109.919 -7.325 1.296 1.00 0.00 H new ATOM 0 HB2 ASN A 65 107.951 -8.176 -0.890 1.00 0.00 H new ATOM 0 HB3 ASN A 65 108.867 -9.392 -0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 65 105.682 -7.599 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 65 106.120 -7.250 0.146 1.00 0.00 H new ATOM 1020 N CYS A 66 110.741 -7.762 -1.862 1.00 0.00 N ATOM 1021 CA CYS A 66 111.914 -8.157 -2.703 1.00 0.00 C ATOM 1022 C CYS A 66 113.137 -7.305 -2.350 1.00 0.00 C ATOM 1023 O CYS A 66 113.048 -6.358 -1.593 1.00 0.00 O ATOM 1024 CB CYS A 66 111.483 -7.908 -4.144 1.00 0.00 C ATOM 1025 SG CYS A 66 111.662 -9.431 -5.109 1.00 0.00 S ATOM 0 H CYS A 66 109.907 -7.487 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 66 112.198 -9.197 -2.541 1.00 0.00 H new ATOM 0 HB2 CYS A 66 110.447 -7.569 -4.170 1.00 0.00 H new ATOM 0 HB3 CYS A 66 112.089 -7.115 -4.583 1.00 0.00 H new ATOM 0 HG CYS A 66 111.291 -9.214 -6.336 1.00 0.00 H new ATOM 1031 N ALA A 67 114.280 -7.637 -2.891 1.00 0.00 N ATOM 1032 CA ALA A 67 115.509 -6.849 -2.584 1.00 0.00 C ATOM 1033 C ALA A 67 116.544 -7.015 -3.699 1.00 0.00 C ATOM 1034 O ALA A 67 116.309 -7.688 -4.684 1.00 0.00 O ATOM 1035 CB ALA A 67 116.039 -7.440 -1.279 1.00 0.00 C ATOM 0 H ALA A 67 114.415 -8.419 -3.532 1.00 0.00 H new ATOM 0 HA ALA A 67 115.301 -5.782 -2.501 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.946 -6.913 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.286 -7.332 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 67 116.264 -8.497 -1.423 1.00 0.00 H new ATOM 1041 N ASP A 68 117.692 -6.408 -3.547 1.00 0.00 N ATOM 1042 CA ASP A 68 118.748 -6.531 -4.592 1.00 0.00 C ATOM 1043 C ASP A 68 119.641 -7.744 -4.297 1.00 0.00 C ATOM 1044 O ASP A 68 120.315 -7.779 -3.286 1.00 0.00 O ATOM 1045 CB ASP A 68 119.559 -5.237 -4.491 1.00 0.00 C ATOM 1046 CG ASP A 68 120.157 -4.907 -5.860 1.00 0.00 C ATOM 1047 OD1 ASP A 68 120.721 -5.801 -6.470 1.00 0.00 O ATOM 1048 OD2 ASP A 68 120.041 -3.766 -6.276 1.00 0.00 O ATOM 0 H ASP A 68 117.943 -5.832 -2.743 1.00 0.00 H new ATOM 0 HA ASP A 68 118.329 -6.674 -5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 68 118.921 -4.420 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 68 120.352 -5.348 -3.752 1.00 0.00 H new ATOM 1053 N PRO A 69 119.624 -8.702 -5.191 1.00 0.00 N ATOM 1054 CA PRO A 69 120.454 -9.921 -5.005 1.00 0.00 C ATOM 1055 C PRO A 69 121.938 -9.589 -5.191 1.00 0.00 C ATOM 1056 O PRO A 69 122.805 -10.342 -4.792 1.00 0.00 O ATOM 1057 CB PRO A 69 119.963 -10.860 -6.104 1.00 0.00 C ATOM 1058 CG PRO A 69 119.392 -9.960 -7.153 1.00 0.00 C ATOM 1059 CD PRO A 69 118.848 -8.751 -6.438 1.00 0.00 C ATOM 0 HA PRO A 69 120.363 -10.355 -4.009 1.00 0.00 H new ATOM 0 HB2 PRO A 69 120.779 -11.463 -6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 69 119.211 -11.552 -5.725 1.00 0.00 H new ATOM 0 HG2 PRO A 69 120.157 -9.671 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 69 118.604 -10.467 -7.710 1.00 0.00 H new ATOM 0 HD2 PRO A 69 118.981 -7.844 -7.028 1.00 0.00 H new ATOM 0 HD3 PRO A 69 117.780 -8.849 -6.241 1.00 0.00 H new ATOM 1067 N ALA A 70 122.235 -8.470 -5.796 1.00 0.00 N ATOM 1068 CA ALA A 70 123.662 -8.087 -6.014 1.00 0.00 C ATOM 1069 C ALA A 70 124.339 -7.740 -4.683 1.00 0.00 C ATOM 1070 O ALA A 70 125.546 -7.822 -4.555 1.00 0.00 O ATOM 1071 CB ALA A 70 123.605 -6.856 -6.920 1.00 0.00 C ATOM 0 H ALA A 70 121.550 -7.802 -6.150 1.00 0.00 H new ATOM 0 HA ALA A 70 124.240 -8.899 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 70 124.618 -6.511 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 70 123.110 -7.116 -7.856 1.00 0.00 H new ATOM 0 HB3 ALA A 70 123.047 -6.063 -6.422 1.00 0.00 H new ATOM 1077 N THR A 71 123.578 -7.350 -3.696 1.00 0.00 N ATOM 1078 CA THR A 71 124.190 -6.994 -2.380 1.00 0.00 C ATOM 1079 C THR A 71 123.209 -7.271 -1.237 1.00 0.00 C ATOM 1080 O THR A 71 123.329 -6.717 -0.162 1.00 0.00 O ATOM 1081 CB THR A 71 124.493 -5.496 -2.476 1.00 0.00 C ATOM 1082 OG1 THR A 71 124.938 -5.185 -3.790 1.00 0.00 O ATOM 1083 CG2 THR A 71 125.583 -5.128 -1.468 1.00 0.00 C ATOM 0 H THR A 71 122.563 -7.262 -3.742 1.00 0.00 H new ATOM 0 HA THR A 71 125.085 -7.581 -2.173 1.00 0.00 H new ATOM 0 HB THR A 71 123.589 -4.929 -2.255 1.00 0.00 H new ATOM 0 HG1 THR A 71 125.130 -4.226 -3.852 1.00 0.00 H new ATOM 0 HG21 THR A 71 125.798 -4.062 -1.537 1.00 0.00 H new ATOM 0 HG22 THR A 71 125.242 -5.365 -0.460 1.00 0.00 H new ATOM 0 HG23 THR A 71 126.488 -5.695 -1.687 1.00 0.00 H new ATOM 1091 N LEU A 72 122.239 -8.123 -1.456 1.00 0.00 N ATOM 1092 CA LEU A 72 121.250 -8.435 -0.376 1.00 0.00 C ATOM 1093 C LEU A 72 120.705 -7.141 0.239 1.00 0.00 C ATOM 1094 O LEU A 72 120.321 -7.103 1.391 1.00 0.00 O ATOM 1095 CB LEU A 72 122.041 -9.229 0.664 1.00 0.00 C ATOM 1096 CG LEU A 72 122.066 -10.707 0.273 1.00 0.00 C ATOM 1097 CD1 LEU A 72 123.006 -11.466 1.209 1.00 0.00 C ATOM 1098 CD2 LEU A 72 120.655 -11.288 0.390 1.00 0.00 C ATOM 0 H LEU A 72 122.088 -8.617 -2.336 1.00 0.00 H new ATOM 0 HA LEU A 72 120.392 -8.992 -0.752 1.00 0.00 H new ATOM 0 HB2 LEU A 72 123.058 -8.844 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 72 121.588 -9.111 1.648 1.00 0.00 H new ATOM 0 HG LEU A 72 122.417 -10.805 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 72 123.024 -12.520 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 124.011 -11.052 1.129 1.00 0.00 H new ATOM 0 HD13 LEU A 72 122.654 -11.368 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 72 120.671 -12.342 0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 72 120.305 -11.190 1.418 1.00 0.00 H new ATOM 0 HD23 LEU A 72 119.982 -10.747 -0.276 1.00 0.00 H new ATOM 1110 N THR A 73 120.683 -6.080 -0.521 1.00 0.00 N ATOM 1111 CA THR A 73 120.177 -4.782 0.014 1.00 0.00 C ATOM 1112 C THR A 73 118.651 -4.703 -0.108 1.00 0.00 C ATOM 1113 O THR A 73 118.098 -4.803 -1.185 1.00 0.00 O ATOM 1114 CB THR A 73 120.843 -3.710 -0.852 1.00 0.00 C ATOM 1115 OG1 THR A 73 121.194 -4.258 -2.114 1.00 0.00 O ATOM 1116 CG2 THR A 73 122.103 -3.202 -0.154 1.00 0.00 C ATOM 0 H THR A 73 120.994 -6.055 -1.492 1.00 0.00 H new ATOM 0 HA THR A 73 120.410 -4.658 1.072 1.00 0.00 H new ATOM 0 HB THR A 73 120.146 -2.885 -0.999 1.00 0.00 H new ATOM 0 HG1 THR A 73 121.618 -3.567 -2.664 1.00 0.00 H new ATOM 0 HG21 THR A 73 122.578 -2.439 -0.770 1.00 0.00 H new ATOM 0 HG22 THR A 73 121.836 -2.774 0.812 1.00 0.00 H new ATOM 0 HG23 THR A 73 122.796 -4.030 -0.005 1.00 0.00 H new ATOM 1124 N ARG A 74 117.970 -4.518 0.993 1.00 0.00 N ATOM 1125 CA ARG A 74 116.480 -4.422 0.953 1.00 0.00 C ATOM 1126 C ARG A 74 116.051 -2.952 0.879 1.00 0.00 C ATOM 1127 O ARG A 74 116.876 -2.065 0.989 1.00 0.00 O ATOM 1128 CB ARG A 74 116.009 -5.048 2.269 1.00 0.00 C ATOM 1129 CG ARG A 74 115.658 -6.521 2.041 1.00 0.00 C ATOM 1130 CD ARG A 74 114.311 -6.843 2.697 1.00 0.00 C ATOM 1131 NE ARG A 74 113.925 -8.173 2.146 1.00 0.00 N ATOM 1132 CZ ARG A 74 112.789 -8.718 2.488 1.00 0.00 C ATOM 1133 NH1 ARG A 74 111.712 -7.987 2.567 1.00 0.00 N ATOM 1134 NH2 ARG A 74 112.732 -9.996 2.748 1.00 0.00 N ATOM 0 H ARG A 74 118.383 -4.429 1.921 1.00 0.00 H new ATOM 0 HA ARG A 74 116.055 -4.925 0.085 1.00 0.00 H new ATOM 0 HB2 ARG A 74 116.790 -4.963 3.024 1.00 0.00 H new ATOM 0 HB3 ARG A 74 115.139 -4.511 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 74 115.612 -6.732 0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 74 116.437 -7.159 2.458 1.00 0.00 H new ATOM 0 HD2 ARG A 74 114.398 -6.875 3.783 1.00 0.00 H new ATOM 0 HD3 ARG A 74 113.565 -6.085 2.459 1.00 0.00 H new ATOM 0 HE ARG A 74 114.549 -8.658 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 74 111.757 -6.989 2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 74 110.825 -8.413 2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 74 113.574 -10.568 2.684 1.00 0.00 H new ATOM 0 HH22 ARG A 74 111.845 -10.423 3.015 1.00 0.00 H new ATOM 1148 N PRO A 75 114.769 -2.735 0.707 1.00 0.00 N ATOM 1149 CA PRO A 75 114.239 -1.349 0.635 1.00 0.00 C ATOM 1150 C PRO A 75 114.362 -0.663 2.000 1.00 0.00 C ATOM 1151 O PRO A 75 114.301 0.547 2.103 1.00 0.00 O ATOM 1152 CB PRO A 75 112.776 -1.544 0.242 1.00 0.00 C ATOM 1153 CG PRO A 75 112.440 -2.927 0.698 1.00 0.00 C ATOM 1154 CD PRO A 75 113.702 -3.737 0.567 1.00 0.00 C ATOM 0 HA PRO A 75 114.777 -0.715 -0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 75 112.136 -0.803 0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 75 112.638 -1.438 -0.834 1.00 0.00 H new ATOM 0 HG2 PRO A 75 112.088 -2.921 1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 75 111.641 -3.352 0.091 1.00 0.00 H new ATOM 0 HD2 PRO A 75 113.768 -4.504 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 75 113.754 -4.247 -0.395 1.00 0.00 H new ATOM 1162 N VAL A 76 114.546 -1.427 3.046 1.00 0.00 N ATOM 1163 CA VAL A 76 114.686 -0.818 4.401 1.00 0.00 C ATOM 1164 C VAL A 76 116.021 -0.076 4.495 1.00 0.00 C ATOM 1165 O VAL A 76 116.140 0.926 5.175 1.00 0.00 O ATOM 1166 CB VAL A 76 114.657 -2.000 5.374 1.00 0.00 C ATOM 1167 CG1 VAL A 76 114.798 -1.488 6.809 1.00 0.00 C ATOM 1168 CG2 VAL A 76 113.329 -2.749 5.232 1.00 0.00 C ATOM 0 H VAL A 76 114.605 -2.445 3.020 1.00 0.00 H new ATOM 0 HA VAL A 76 113.898 -0.097 4.620 1.00 0.00 H new ATOM 0 HB VAL A 76 115.482 -2.674 5.145 1.00 0.00 H new ATOM 0 HG11 VAL A 76 114.777 -2.331 7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 76 115.744 -0.956 6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 76 113.974 -0.812 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 76 113.310 -3.590 5.925 1.00 0.00 H new ATOM 0 HG22 VAL A 76 112.504 -2.073 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 76 113.226 -3.118 4.211 1.00 0.00 H new ATOM 1178 N HIS A 77 117.024 -0.560 3.812 1.00 0.00 N ATOM 1179 CA HIS A 77 118.355 0.113 3.853 1.00 0.00 C ATOM 1180 C HIS A 77 118.277 1.474 3.159 1.00 0.00 C ATOM 1181 O HIS A 77 118.792 2.460 3.648 1.00 0.00 O ATOM 1182 CB HIS A 77 119.298 -0.826 3.098 1.00 0.00 C ATOM 1183 CG HIS A 77 119.640 -1.999 3.974 1.00 0.00 C ATOM 1184 ND1 HIS A 77 118.873 -3.151 3.999 1.00 0.00 N ATOM 1185 CD2 HIS A 77 120.663 -2.210 4.866 1.00 0.00 C ATOM 1186 CE1 HIS A 77 119.438 -3.997 4.879 1.00 0.00 C ATOM 1187 NE2 HIS A 77 120.533 -3.472 5.436 1.00 0.00 N ATOM 0 H HIS A 77 116.979 -1.394 3.226 1.00 0.00 H new ATOM 0 HA HIS A 77 118.697 0.296 4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 77 118.826 -1.170 2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 77 120.206 -0.295 2.812 1.00 0.00 H new ATOM 0 HD2 HIS A 77 121.449 -1.504 5.091 1.00 0.00 H new ATOM 0 HE1 HIS A 77 119.054 -4.980 5.107 1.00 0.00 H new ATOM 0 HE2 HIS A 77 121.143 -3.904 6.130 1.00 0.00 H new ATOM 1195 N ASP A 78 117.630 1.538 2.024 1.00 0.00 N ATOM 1196 CA ASP A 78 117.512 2.841 1.303 1.00 0.00 C ATOM 1197 C ASP A 78 116.799 3.860 2.195 1.00 0.00 C ATOM 1198 O ASP A 78 117.350 4.889 2.544 1.00 0.00 O ATOM 1199 CB ASP A 78 116.676 2.537 0.058 1.00 0.00 C ATOM 1200 CG ASP A 78 117.590 2.440 -1.164 1.00 0.00 C ATOM 1201 OD1 ASP A 78 118.276 3.410 -1.444 1.00 0.00 O ATOM 1202 OD2 ASP A 78 117.588 1.399 -1.800 1.00 0.00 O ATOM 0 H ASP A 78 117.179 0.746 1.566 1.00 0.00 H new ATOM 0 HA ASP A 78 118.483 3.262 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 78 116.132 1.602 0.193 1.00 0.00 H new ATOM 0 HB3 ASP A 78 115.932 3.320 -0.093 1.00 0.00 H new ATOM 1207 N ALA A 79 115.579 3.575 2.575 1.00 0.00 N ATOM 1208 CA ALA A 79 114.832 4.520 3.458 1.00 0.00 C ATOM 1209 C ALA A 79 115.675 4.844 4.694 1.00 0.00 C ATOM 1210 O ALA A 79 115.518 5.879 5.313 1.00 0.00 O ATOM 1211 CB ALA A 79 113.554 3.776 3.850 1.00 0.00 C ATOM 0 H ALA A 79 115.070 2.731 2.313 1.00 0.00 H new ATOM 0 HA ALA A 79 114.607 5.466 2.965 1.00 0.00 H new ATOM 0 HB1 ALA A 79 112.950 4.408 4.501 1.00 0.00 H new ATOM 0 HB2 ALA A 79 112.985 3.532 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 79 113.814 2.857 4.376 1.00 0.00 H new ATOM 1217 N ALA A 80 116.579 3.966 5.047 1.00 0.00 N ATOM 1218 CA ALA A 80 117.447 4.220 6.228 1.00 0.00 C ATOM 1219 C ALA A 80 118.631 5.097 5.816 1.00 0.00 C ATOM 1220 O ALA A 80 119.146 5.873 6.598 1.00 0.00 O ATOM 1221 CB ALA A 80 117.928 2.840 6.677 1.00 0.00 C ATOM 0 H ALA A 80 116.751 3.084 4.565 1.00 0.00 H new ATOM 0 HA ALA A 80 116.922 4.740 7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 80 118.576 2.946 7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 80 117.069 2.222 6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 80 118.483 2.367 5.867 1.00 0.00 H new ATOM 1227 N ARG A 81 119.061 4.987 4.584 1.00 0.00 N ATOM 1228 CA ARG A 81 120.205 5.820 4.111 1.00 0.00 C ATOM 1229 C ARG A 81 119.876 7.302 4.303 1.00 0.00 C ATOM 1230 O ARG A 81 120.733 8.104 4.619 1.00 0.00 O ATOM 1231 CB ARG A 81 120.353 5.493 2.623 1.00 0.00 C ATOM 1232 CG ARG A 81 121.524 6.283 2.034 1.00 0.00 C ATOM 1233 CD ARG A 81 122.836 5.557 2.338 1.00 0.00 C ATOM 1234 NE ARG A 81 123.854 6.230 1.484 1.00 0.00 N ATOM 1235 CZ ARG A 81 124.426 5.573 0.514 1.00 0.00 C ATOM 1236 NH1 ARG A 81 124.893 4.373 0.725 1.00 0.00 N ATOM 1237 NH2 ARG A 81 124.533 6.117 -0.667 1.00 0.00 N ATOM 0 H ARG A 81 118.668 4.355 3.886 1.00 0.00 H new ATOM 0 HA ARG A 81 121.124 5.616 4.661 1.00 0.00 H new ATOM 0 HB2 ARG A 81 120.520 4.424 2.491 1.00 0.00 H new ATOM 0 HB3 ARG A 81 119.433 5.740 2.094 1.00 0.00 H new ATOM 0 HG2 ARG A 81 121.398 6.392 0.957 1.00 0.00 H new ATOM 0 HG3 ARG A 81 121.547 7.288 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 81 123.094 5.633 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 81 122.763 4.495 2.103 1.00 0.00 H new ATOM 0 HE ARG A 81 124.103 7.204 1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 81 124.811 3.949 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 81 125.340 3.859 -0.034 1.00 0.00 H new ATOM 0 HH21 ARG A 81 124.169 7.056 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 81 124.980 5.604 -1.426 1.00 0.00 H new ATOM 1251 N GLU A 82 118.636 7.666 4.119 1.00 0.00 N ATOM 1252 CA GLU A 82 118.240 9.094 4.296 1.00 0.00 C ATOM 1253 C GLU A 82 117.633 9.309 5.688 1.00 0.00 C ATOM 1254 O GLU A 82 117.506 10.425 6.152 1.00 0.00 O ATOM 1255 CB GLU A 82 117.200 9.357 3.208 1.00 0.00 C ATOM 1256 CG GLU A 82 117.906 9.827 1.934 1.00 0.00 C ATOM 1257 CD GLU A 82 118.510 8.622 1.209 1.00 0.00 C ATOM 1258 OE1 GLU A 82 117.855 7.595 1.165 1.00 0.00 O ATOM 1259 OE2 GLU A 82 119.617 8.749 0.712 1.00 0.00 O ATOM 0 H GLU A 82 117.879 7.036 3.854 1.00 0.00 H new ATOM 0 HA GLU A 82 119.091 9.770 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 82 116.630 8.450 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 82 116.490 10.113 3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 82 117.199 10.340 1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 82 118.688 10.544 2.183 1.00 0.00 H new ATOM 1266 N GLY A 83 117.261 8.249 6.359 1.00 0.00 N ATOM 1267 CA GLY A 83 116.668 8.392 7.720 1.00 0.00 C ATOM 1268 C GLY A 83 115.217 8.860 7.608 1.00 0.00 C ATOM 1269 O GLY A 83 114.805 9.795 8.268 1.00 0.00 O ATOM 0 H GLY A 83 117.343 7.290 6.021 1.00 0.00 H new ATOM 0 HA2 GLY A 83 116.712 7.439 8.248 1.00 0.00 H new ATOM 0 HA3 GLY A 83 117.246 9.107 8.305 1.00 0.00 H new ATOM 1273 N PHE A 84 114.438 8.215 6.783 1.00 0.00 N ATOM 1274 CA PHE A 84 113.009 8.620 6.633 1.00 0.00 C ATOM 1275 C PHE A 84 112.106 7.656 7.409 1.00 0.00 C ATOM 1276 O PHE A 84 111.633 6.671 6.878 1.00 0.00 O ATOM 1277 CB PHE A 84 112.728 8.535 5.130 1.00 0.00 C ATOM 1278 CG PHE A 84 111.986 9.772 4.685 1.00 0.00 C ATOM 1279 CD1 PHE A 84 110.628 9.921 4.991 1.00 0.00 C ATOM 1280 CD2 PHE A 84 112.655 10.770 3.966 1.00 0.00 C ATOM 1281 CE1 PHE A 84 109.939 11.067 4.578 1.00 0.00 C ATOM 1282 CE2 PHE A 84 111.964 11.916 3.552 1.00 0.00 C ATOM 1283 CZ PHE A 84 110.607 12.065 3.859 1.00 0.00 C ATOM 0 H PHE A 84 114.728 7.425 6.206 1.00 0.00 H new ATOM 0 HA PHE A 84 112.816 9.619 7.024 1.00 0.00 H new ATOM 0 HB2 PHE A 84 113.664 8.442 4.579 1.00 0.00 H new ATOM 0 HB3 PHE A 84 112.138 7.645 4.909 1.00 0.00 H new ATOM 0 HD1 PHE A 84 110.112 9.151 5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 84 113.703 10.656 3.731 1.00 0.00 H new ATOM 0 HE1 PHE A 84 108.891 11.181 4.814 1.00 0.00 H new ATOM 0 HE2 PHE A 84 112.479 12.685 2.995 1.00 0.00 H new ATOM 0 HZ PHE A 84 110.075 12.950 3.541 1.00 0.00 H new ATOM 1293 N LEU A 85 111.869 7.933 8.664 1.00 0.00 N ATOM 1294 CA LEU A 85 111.002 7.033 9.482 1.00 0.00 C ATOM 1295 C LEU A 85 109.599 6.943 8.874 1.00 0.00 C ATOM 1296 O LEU A 85 108.935 5.929 8.973 1.00 0.00 O ATOM 1297 CB LEU A 85 110.944 7.683 10.867 1.00 0.00 C ATOM 1298 CG LEU A 85 111.979 7.029 11.782 1.00 0.00 C ATOM 1299 CD1 LEU A 85 112.169 7.887 13.034 1.00 0.00 C ATOM 1300 CD2 LEU A 85 111.493 5.637 12.189 1.00 0.00 C ATOM 0 H LEU A 85 112.239 8.745 9.159 1.00 0.00 H new ATOM 0 HA LEU A 85 111.394 6.017 9.524 1.00 0.00 H new ATOM 0 HB2 LEU A 85 111.138 8.753 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 85 109.946 7.571 11.291 1.00 0.00 H new ATOM 0 HG LEU A 85 112.928 6.943 11.252 1.00 0.00 H new ATOM 0 HD11 LEU A 85 112.907 7.420 13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 85 112.515 8.880 12.746 1.00 0.00 H new ATOM 0 HD13 LEU A 85 111.220 7.973 13.563 1.00 0.00 H new ATOM 0 HD21 LEU A 85 112.231 5.170 12.842 1.00 0.00 H new ATOM 0 HD22 LEU A 85 110.544 5.723 12.718 1.00 0.00 H new ATOM 0 HD23 LEU A 85 111.357 5.024 11.298 1.00 0.00 H new ATOM 1312 N ASP A 86 109.142 7.995 8.247 1.00 0.00 N ATOM 1313 CA ASP A 86 107.780 7.968 7.633 1.00 0.00 C ATOM 1314 C ASP A 86 107.674 6.811 6.635 1.00 0.00 C ATOM 1315 O ASP A 86 106.730 6.046 6.658 1.00 0.00 O ATOM 1316 CB ASP A 86 107.640 9.311 6.915 1.00 0.00 C ATOM 1317 CG ASP A 86 106.163 9.587 6.628 1.00 0.00 C ATOM 1318 OD1 ASP A 86 105.453 8.644 6.321 1.00 0.00 O ATOM 1319 OD2 ASP A 86 105.768 10.738 6.720 1.00 0.00 O ATOM 0 H ASP A 86 109.652 8.871 8.133 1.00 0.00 H new ATOM 0 HA ASP A 86 106.995 7.821 8.375 1.00 0.00 H new ATOM 0 HB2 ASP A 86 108.057 10.109 7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 86 108.206 9.298 5.983 1.00 0.00 H new ATOM 1324 N THR A 87 108.638 6.676 5.763 1.00 0.00 N ATOM 1325 CA THR A 87 108.594 5.565 4.769 1.00 0.00 C ATOM 1326 C THR A 87 108.786 4.224 5.481 1.00 0.00 C ATOM 1327 O THR A 87 108.236 3.215 5.085 1.00 0.00 O ATOM 1328 CB THR A 87 109.755 5.835 3.808 1.00 0.00 C ATOM 1329 OG1 THR A 87 109.557 7.089 3.174 1.00 0.00 O ATOM 1330 CG2 THR A 87 109.818 4.732 2.748 1.00 0.00 C ATOM 0 H THR A 87 109.453 7.286 5.696 1.00 0.00 H new ATOM 0 HA THR A 87 107.641 5.518 4.243 1.00 0.00 H new ATOM 0 HB THR A 87 110.691 5.849 4.367 1.00 0.00 H new ATOM 0 HG1 THR A 87 109.884 7.806 3.757 1.00 0.00 H new ATOM 0 HG21 THR A 87 110.646 4.929 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 87 109.970 3.768 3.234 1.00 0.00 H new ATOM 0 HG23 THR A 87 108.883 4.712 2.187 1.00 0.00 H new ATOM 1338 N LEU A 88 109.560 4.208 6.536 1.00 0.00 N ATOM 1339 CA LEU A 88 109.785 2.934 7.281 1.00 0.00 C ATOM 1340 C LEU A 88 108.446 2.367 7.755 1.00 0.00 C ATOM 1341 O LEU A 88 108.183 1.186 7.638 1.00 0.00 O ATOM 1342 CB LEU A 88 110.661 3.318 8.475 1.00 0.00 C ATOM 1343 CG LEU A 88 112.117 2.966 8.172 1.00 0.00 C ATOM 1344 CD1 LEU A 88 112.783 4.133 7.441 1.00 0.00 C ATOM 1345 CD2 LEU A 88 112.858 2.697 9.483 1.00 0.00 C ATOM 0 H LEU A 88 110.045 5.022 6.913 1.00 0.00 H new ATOM 0 HA LEU A 88 110.258 2.169 6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 88 110.568 4.385 8.680 1.00 0.00 H new ATOM 0 HB3 LEU A 88 110.327 2.792 9.369 1.00 0.00 H new ATOM 0 HG LEU A 88 112.153 2.076 7.543 1.00 0.00 H new ATOM 0 HD11 LEU A 88 113.821 3.882 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 88 112.255 4.327 6.507 1.00 0.00 H new ATOM 0 HD13 LEU A 88 112.748 5.023 8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 88 113.897 2.446 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 112.822 3.587 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 88 112.384 1.866 10.005 1.00 0.00 H new ATOM 1357 N VAL A 89 107.594 3.206 8.280 1.00 0.00 N ATOM 1358 CA VAL A 89 106.264 2.726 8.752 1.00 0.00 C ATOM 1359 C VAL A 89 105.490 2.131 7.574 1.00 0.00 C ATOM 1360 O VAL A 89 105.039 1.005 7.621 1.00 0.00 O ATOM 1361 CB VAL A 89 105.562 3.978 9.294 1.00 0.00 C ATOM 1362 CG1 VAL A 89 104.066 3.707 9.473 1.00 0.00 C ATOM 1363 CG2 VAL A 89 106.171 4.351 10.646 1.00 0.00 C ATOM 0 H VAL A 89 107.762 4.205 8.402 1.00 0.00 H new ATOM 0 HA VAL A 89 106.338 1.949 9.513 1.00 0.00 H new ATOM 0 HB VAL A 89 105.695 4.796 8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 89 103.578 4.602 9.858 1.00 0.00 H new ATOM 0 HG12 VAL A 89 103.627 3.439 8.512 1.00 0.00 H new ATOM 0 HG13 VAL A 89 103.927 2.886 10.177 1.00 0.00 H new ATOM 0 HG21 VAL A 89 105.675 5.240 11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 89 106.037 3.526 11.345 1.00 0.00 H new ATOM 0 HG23 VAL A 89 107.235 4.553 10.522 1.00 0.00 H new ATOM 1373 N VAL A 90 105.339 2.889 6.518 1.00 0.00 N ATOM 1374 CA VAL A 90 104.597 2.394 5.319 1.00 0.00 C ATOM 1375 C VAL A 90 105.023 0.963 4.967 1.00 0.00 C ATOM 1376 O VAL A 90 104.201 0.107 4.706 1.00 0.00 O ATOM 1377 CB VAL A 90 104.985 3.364 4.199 1.00 0.00 C ATOM 1378 CG1 VAL A 90 104.317 2.939 2.891 1.00 0.00 C ATOM 1379 CG2 VAL A 90 104.529 4.781 4.566 1.00 0.00 C ATOM 0 H VAL A 90 105.702 3.839 6.435 1.00 0.00 H new ATOM 0 HA VAL A 90 103.520 2.361 5.485 1.00 0.00 H new ATOM 0 HB VAL A 90 106.068 3.350 4.073 1.00 0.00 H new ATOM 0 HG11 VAL A 90 104.596 3.632 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 90 104.643 1.933 2.626 1.00 0.00 H new ATOM 0 HG13 VAL A 90 103.234 2.948 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 90 104.806 5.470 3.768 1.00 0.00 H new ATOM 0 HG22 VAL A 90 103.447 4.793 4.697 1.00 0.00 H new ATOM 0 HG23 VAL A 90 105.010 5.089 5.495 1.00 0.00 H new ATOM 1389 N LEU A 91 106.301 0.700 4.956 1.00 0.00 N ATOM 1390 CA LEU A 91 106.782 -0.672 4.618 1.00 0.00 C ATOM 1391 C LEU A 91 106.369 -1.669 5.706 1.00 0.00 C ATOM 1392 O LEU A 91 105.761 -2.685 5.430 1.00 0.00 O ATOM 1393 CB LEU A 91 108.307 -0.555 4.556 1.00 0.00 C ATOM 1394 CG LEU A 91 108.755 -0.458 3.096 1.00 0.00 C ATOM 1395 CD1 LEU A 91 108.836 1.013 2.680 1.00 0.00 C ATOM 1396 CD2 LEU A 91 110.133 -1.109 2.946 1.00 0.00 C ATOM 0 H LEU A 91 107.035 1.376 5.167 1.00 0.00 H new ATOM 0 HA LEU A 91 106.359 -1.033 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 91 108.637 0.325 5.108 1.00 0.00 H new ATOM 0 HB3 LEU A 91 108.768 -1.421 5.032 1.00 0.00 H new ATOM 0 HG LEU A 91 108.036 -0.973 2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 91 109.155 1.080 1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 91 107.856 1.477 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 91 109.555 1.531 3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 91 110.456 -1.042 1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 91 110.851 -0.592 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 91 110.074 -2.157 3.241 1.00 0.00 H new ATOM 1408 N HIS A 92 106.705 -1.392 6.937 1.00 0.00 N ATOM 1409 CA HIS A 92 106.347 -2.328 8.044 1.00 0.00 C ATOM 1410 C HIS A 92 104.826 -2.424 8.212 1.00 0.00 C ATOM 1411 O HIS A 92 104.276 -3.501 8.333 1.00 0.00 O ATOM 1412 CB HIS A 92 106.986 -1.725 9.296 1.00 0.00 C ATOM 1413 CG HIS A 92 107.047 -2.766 10.380 1.00 0.00 C ATOM 1414 ND1 HIS A 92 107.803 -2.592 11.529 1.00 0.00 N ATOM 1415 CD2 HIS A 92 106.452 -3.998 10.505 1.00 0.00 C ATOM 1416 CE1 HIS A 92 107.645 -3.693 12.289 1.00 0.00 C ATOM 1417 NE2 HIS A 92 106.832 -4.581 11.711 1.00 0.00 N ATOM 0 H HIS A 92 107.213 -0.556 7.225 1.00 0.00 H new ATOM 0 HA HIS A 92 106.700 -3.340 7.847 1.00 0.00 H new ATOM 0 HB2 HIS A 92 107.989 -1.364 9.067 1.00 0.00 H new ATOM 0 HB3 HIS A 92 106.407 -0.866 9.635 1.00 0.00 H new ATOM 0 HD2 HIS A 92 105.790 -4.446 9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 92 108.118 -3.840 13.249 1.00 0.00 H new ATOM 0 HE2 HIS A 92 106.550 -5.491 12.075 1.00 0.00 H new ATOM 1425 N ARG A 93 104.143 -1.309 8.232 1.00 0.00 N ATOM 1426 CA ARG A 93 102.661 -1.349 8.406 1.00 0.00 C ATOM 1427 C ARG A 93 101.979 -1.943 7.165 1.00 0.00 C ATOM 1428 O ARG A 93 100.798 -2.231 7.178 1.00 0.00 O ATOM 1429 CB ARG A 93 102.240 0.112 8.631 1.00 0.00 C ATOM 1430 CG ARG A 93 102.345 0.913 7.326 1.00 0.00 C ATOM 1431 CD ARG A 93 100.960 1.424 6.926 1.00 0.00 C ATOM 1432 NE ARG A 93 101.190 2.243 5.703 1.00 0.00 N ATOM 1433 CZ ARG A 93 100.702 3.451 5.626 1.00 0.00 C ATOM 1434 NH1 ARG A 93 101.014 4.342 6.528 1.00 0.00 N ATOM 1435 NH2 ARG A 93 99.901 3.769 4.646 1.00 0.00 N ATOM 0 H ARG A 93 104.545 -0.377 8.136 1.00 0.00 H new ATOM 0 HA ARG A 93 102.366 -1.983 9.242 1.00 0.00 H new ATOM 0 HB2 ARG A 93 101.216 0.148 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 93 102.873 0.565 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 93 103.030 1.751 7.456 1.00 0.00 H new ATOM 0 HG3 ARG A 93 102.755 0.286 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 93 100.277 0.598 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 93 100.514 2.020 7.722 1.00 0.00 H new ATOM 0 HE ARG A 93 101.729 1.860 4.926 1.00 0.00 H new ATOM 0 HH11 ARG A 93 101.640 4.094 7.294 1.00 0.00 H new ATOM 0 HH12 ARG A 93 100.632 5.286 6.466 1.00 0.00 H new ATOM 0 HH21 ARG A 93 99.657 3.074 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 93 99.519 4.713 4.585 1.00 0.00 H new ATOM 1449 N ALA A 94 102.710 -2.131 6.096 1.00 0.00 N ATOM 1450 CA ALA A 94 102.103 -2.703 4.870 1.00 0.00 C ATOM 1451 C ALA A 94 102.801 -4.013 4.488 1.00 0.00 C ATOM 1452 O ALA A 94 102.829 -4.398 3.336 1.00 0.00 O ATOM 1453 CB ALA A 94 102.314 -1.645 3.788 1.00 0.00 C ATOM 0 H ALA A 94 103.703 -1.910 6.025 1.00 0.00 H new ATOM 0 HA ALA A 94 101.048 -2.938 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 94 101.890 -1.997 2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 94 101.822 -0.719 4.084 1.00 0.00 H new ATOM 0 HB3 ALA A 94 103.381 -1.464 3.660 1.00 0.00 H new ATOM 1459 N GLY A 95 103.365 -4.699 5.448 1.00 0.00 N ATOM 1460 CA GLY A 95 104.060 -5.983 5.140 1.00 0.00 C ATOM 1461 C GLY A 95 105.452 -5.692 4.579 1.00 0.00 C ATOM 1462 O GLY A 95 105.600 -5.255 3.454 1.00 0.00 O ATOM 0 H GLY A 95 103.374 -4.426 6.431 1.00 0.00 H new ATOM 0 HA2 GLY A 95 104.140 -6.590 6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 95 103.479 -6.558 4.419 1.00 0.00 H new ATOM 1466 N ALA A 96 106.477 -5.934 5.355 1.00 0.00 N ATOM 1467 CA ALA A 96 107.864 -5.674 4.870 1.00 0.00 C ATOM 1468 C ALA A 96 108.884 -6.250 5.856 1.00 0.00 C ATOM 1469 O ALA A 96 108.987 -5.808 6.983 1.00 0.00 O ATOM 1470 CB ALA A 96 107.986 -4.152 4.803 1.00 0.00 C ATOM 0 H ALA A 96 106.412 -6.301 6.305 1.00 0.00 H new ATOM 0 HA ALA A 96 108.056 -6.139 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 96 108.982 -3.882 4.453 1.00 0.00 H new ATOM 0 HB2 ALA A 96 107.240 -3.757 4.113 1.00 0.00 H new ATOM 0 HB3 ALA A 96 107.823 -3.730 5.795 1.00 0.00 H new ATOM 1476 N ARG A 97 109.640 -7.231 5.438 1.00 0.00 N ATOM 1477 CA ARG A 97 110.654 -7.834 6.352 1.00 0.00 C ATOM 1478 C ARG A 97 111.792 -6.841 6.603 1.00 0.00 C ATOM 1479 O ARG A 97 112.312 -6.238 5.685 1.00 0.00 O ATOM 1480 CB ARG A 97 111.173 -9.068 5.611 1.00 0.00 C ATOM 1481 CG ARG A 97 112.068 -9.889 6.542 1.00 0.00 C ATOM 1482 CD ARG A 97 113.311 -10.355 5.778 1.00 0.00 C ATOM 1483 NE ARG A 97 114.063 -11.201 6.745 1.00 0.00 N ATOM 1484 CZ ARG A 97 113.654 -12.412 7.009 1.00 0.00 C ATOM 1485 NH1 ARG A 97 113.976 -13.396 6.215 1.00 0.00 N ATOM 1486 NH2 ARG A 97 112.924 -12.638 8.066 1.00 0.00 N ATOM 0 H ARG A 97 109.599 -7.640 4.505 1.00 0.00 H new ATOM 0 HA ARG A 97 110.234 -8.091 7.324 1.00 0.00 H new ATOM 0 HB2 ARG A 97 110.336 -9.675 5.266 1.00 0.00 H new ATOM 0 HB3 ARG A 97 111.733 -8.764 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 97 112.362 -9.289 7.403 1.00 0.00 H new ATOM 0 HG3 ARG A 97 111.520 -10.750 6.925 1.00 0.00 H new ATOM 0 HD2 ARG A 97 113.038 -10.921 4.888 1.00 0.00 H new ATOM 0 HD3 ARG A 97 113.911 -9.508 5.445 1.00 0.00 H new ATOM 0 HE ARG A 97 114.898 -10.834 7.201 1.00 0.00 H new ATOM 0 HH11 ARG A 97 114.547 -13.219 5.389 1.00 0.00 H new ATOM 0 HH12 ARG A 97 113.657 -14.343 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 97 112.673 -11.868 8.686 1.00 0.00 H new ATOM 0 HH22 ARG A 97 112.604 -13.584 8.272 1.00 0.00 H new ATOM 1500 N LEU A 98 112.178 -6.665 7.839 1.00 0.00 N ATOM 1501 CA LEU A 98 113.281 -5.706 8.147 1.00 0.00 C ATOM 1502 C LEU A 98 114.445 -6.438 8.821 1.00 0.00 C ATOM 1503 O LEU A 98 115.202 -5.855 9.574 1.00 0.00 O ATOM 1504 CB LEU A 98 112.667 -4.682 9.106 1.00 0.00 C ATOM 1505 CG LEU A 98 111.394 -4.089 8.491 1.00 0.00 C ATOM 1506 CD1 LEU A 98 110.166 -4.689 9.178 1.00 0.00 C ATOM 1507 CD2 LEU A 98 111.391 -2.570 8.685 1.00 0.00 C ATOM 0 H LEU A 98 111.779 -7.142 8.647 1.00 0.00 H new ATOM 0 HA LEU A 98 113.677 -5.234 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 98 112.434 -5.157 10.059 1.00 0.00 H new ATOM 0 HB3 LEU A 98 113.385 -3.888 9.313 1.00 0.00 H new ATOM 0 HG LEU A 98 111.366 -4.321 7.426 1.00 0.00 H new ATOM 0 HD11 LEU A 98 109.262 -4.267 8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 98 110.165 -5.770 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 98 110.196 -4.458 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 98 110.486 -2.149 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 98 111.421 -2.339 9.750 1.00 0.00 H new ATOM 0 HD23 LEU A 98 112.265 -2.139 8.196 1.00 0.00 H new ATOM 1519 N ASP A 99 114.594 -7.709 8.560 1.00 0.00 N ATOM 1520 CA ASP A 99 115.710 -8.476 9.188 1.00 0.00 C ATOM 1521 C ASP A 99 116.687 -8.965 8.116 1.00 0.00 C ATOM 1522 O ASP A 99 117.003 -10.136 8.038 1.00 0.00 O ATOM 1523 CB ASP A 99 115.036 -9.659 9.883 1.00 0.00 C ATOM 1524 CG ASP A 99 114.076 -9.143 10.957 1.00 0.00 C ATOM 1525 OD1 ASP A 99 114.493 -8.312 11.746 1.00 0.00 O ATOM 1526 OD2 ASP A 99 112.940 -9.588 10.972 1.00 0.00 O ATOM 0 H ASP A 99 113.992 -8.250 7.939 1.00 0.00 H new ATOM 0 HA ASP A 99 116.286 -7.869 9.886 1.00 0.00 H new ATOM 0 HB2 ASP A 99 114.493 -10.261 9.154 1.00 0.00 H new ATOM 0 HB3 ASP A 99 115.788 -10.306 10.334 1.00 0.00 H new ATOM 1531 N VAL A 100 117.167 -8.074 7.290 1.00 0.00 N ATOM 1532 CA VAL A 100 118.124 -8.482 6.221 1.00 0.00 C ATOM 1533 C VAL A 100 119.427 -7.683 6.347 1.00 0.00 C ATOM 1534 O VAL A 100 119.440 -6.580 6.858 1.00 0.00 O ATOM 1535 CB VAL A 100 117.414 -8.152 4.905 1.00 0.00 C ATOM 1536 CG1 VAL A 100 117.207 -6.639 4.791 1.00 0.00 C ATOM 1537 CG2 VAL A 100 118.270 -8.640 3.732 1.00 0.00 C ATOM 0 H VAL A 100 116.937 -7.080 7.310 1.00 0.00 H new ATOM 0 HA VAL A 100 118.391 -9.537 6.284 1.00 0.00 H new ATOM 0 HB VAL A 100 116.444 -8.648 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 100 116.701 -6.411 3.853 1.00 0.00 H new ATOM 0 HG12 VAL A 100 116.598 -6.291 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 100 118.174 -6.137 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 100 117.768 -8.407 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 100 119.240 -8.143 3.758 1.00 0.00 H new ATOM 0 HG23 VAL A 100 118.412 -9.718 3.809 1.00 0.00 H new ATOM 1547 N CYS A 101 120.519 -8.229 5.882 1.00 0.00 N ATOM 1548 CA CYS A 101 121.815 -7.495 5.973 1.00 0.00 C ATOM 1549 C CYS A 101 122.257 -7.042 4.579 1.00 0.00 C ATOM 1550 O CYS A 101 121.994 -7.700 3.592 1.00 0.00 O ATOM 1551 CB CYS A 101 122.809 -8.505 6.552 1.00 0.00 C ATOM 1552 SG CYS A 101 122.250 -9.033 8.191 1.00 0.00 S ATOM 0 H CYS A 101 120.570 -9.149 5.444 1.00 0.00 H new ATOM 0 HA CYS A 101 121.742 -6.601 6.593 1.00 0.00 H new ATOM 0 HB2 CYS A 101 122.895 -9.367 5.890 1.00 0.00 H new ATOM 0 HB3 CYS A 101 123.800 -8.057 6.621 1.00 0.00 H new ATOM 0 HG CYS A 101 123.093 -9.892 8.681 1.00 0.00 H new ATOM 1558 N ASP A 102 122.923 -5.921 4.490 1.00 0.00 N ATOM 1559 CA ASP A 102 123.380 -5.426 3.158 1.00 0.00 C ATOM 1560 C ASP A 102 124.511 -6.307 2.623 1.00 0.00 C ATOM 1561 O ASP A 102 125.640 -5.878 2.499 1.00 0.00 O ATOM 1562 CB ASP A 102 123.880 -3.999 3.408 1.00 0.00 C ATOM 1563 CG ASP A 102 125.006 -4.018 4.445 1.00 0.00 C ATOM 1564 OD1 ASP A 102 124.697 -4.084 5.624 1.00 0.00 O ATOM 1565 OD2 ASP A 102 126.156 -3.964 4.043 1.00 0.00 O ATOM 0 H ASP A 102 123.170 -5.327 5.282 1.00 0.00 H new ATOM 0 HA ASP A 102 122.582 -5.451 2.416 1.00 0.00 H new ATOM 0 HB2 ASP A 102 124.239 -3.561 2.476 1.00 0.00 H new ATOM 0 HB3 ASP A 102 123.060 -3.373 3.760 1.00 0.00 H new ATOM 1570 N ALA A 103 124.210 -7.540 2.301 1.00 0.00 N ATOM 1571 CA ALA A 103 125.257 -8.467 1.768 1.00 0.00 C ATOM 1572 C ALA A 103 126.416 -8.595 2.762 1.00 0.00 C ATOM 1573 O ALA A 103 127.159 -7.659 2.979 1.00 0.00 O ATOM 1574 CB ALA A 103 125.741 -7.832 0.462 1.00 0.00 C ATOM 0 H ALA A 103 123.279 -7.947 2.385 1.00 0.00 H new ATOM 0 HA ALA A 103 124.863 -9.471 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 103 126.512 -8.460 0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 103 124.904 -7.739 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 126.153 -6.844 0.668 1.00 0.00 H new ATOM 1580 N TRP A 104 126.573 -9.755 3.358 1.00 0.00 N ATOM 1581 CA TRP A 104 127.687 -9.979 4.346 1.00 0.00 C ATOM 1582 C TRP A 104 127.961 -8.719 5.177 1.00 0.00 C ATOM 1583 O TRP A 104 129.089 -8.431 5.526 1.00 0.00 O ATOM 1584 CB TRP A 104 128.915 -10.349 3.501 1.00 0.00 C ATOM 1585 CG TRP A 104 129.218 -9.254 2.527 1.00 0.00 C ATOM 1586 CD1 TRP A 104 129.916 -8.130 2.812 1.00 0.00 C ATOM 1587 CD2 TRP A 104 128.840 -9.155 1.123 1.00 0.00 C ATOM 1588 NE1 TRP A 104 129.990 -7.348 1.671 1.00 0.00 N ATOM 1589 CE2 TRP A 104 129.342 -7.939 0.605 1.00 0.00 C ATOM 1590 CE3 TRP A 104 128.117 -9.996 0.258 1.00 0.00 C ATOM 1591 CZ2 TRP A 104 129.134 -7.570 -0.725 1.00 0.00 C ATOM 1592 CZ3 TRP A 104 127.906 -9.628 -1.080 1.00 0.00 C ATOM 1593 CH2 TRP A 104 128.414 -8.416 -1.571 1.00 0.00 C ATOM 0 H TRP A 104 125.973 -10.565 3.203 1.00 0.00 H new ATOM 0 HA TRP A 104 127.431 -10.762 5.060 1.00 0.00 H new ATOM 0 HB2 TRP A 104 129.775 -10.518 4.149 1.00 0.00 H new ATOM 0 HB3 TRP A 104 128.731 -11.281 2.967 1.00 0.00 H new ATOM 0 HD1 TRP A 104 130.345 -7.883 3.772 1.00 0.00 H new ATOM 0 HE1 TRP A 104 130.465 -6.446 1.624 1.00 0.00 H new ATOM 0 HE3 TRP A 104 127.722 -10.931 0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 129.528 -6.636 -1.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 127.349 -10.282 -1.735 1.00 0.00 H new ATOM 0 HH2 TRP A 104 128.249 -8.138 -2.601 1.00 0.00 H new ATOM 1604 N GLY A 105 126.939 -7.966 5.490 1.00 0.00 N ATOM 1605 CA GLY A 105 127.145 -6.725 6.291 1.00 0.00 C ATOM 1606 C GLY A 105 126.297 -6.782 7.561 1.00 0.00 C ATOM 1607 O GLY A 105 126.362 -7.728 8.322 1.00 0.00 O ATOM 0 H GLY A 105 125.973 -8.157 5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 105 128.198 -6.619 6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 105 126.873 -5.850 5.700 1.00 0.00 H new ATOM 1611 N ARG A 106 125.503 -5.771 7.799 1.00 0.00 N ATOM 1612 CA ARG A 106 124.651 -5.760 9.023 1.00 0.00 C ATOM 1613 C ARG A 106 123.238 -5.283 8.681 1.00 0.00 C ATOM 1614 O ARG A 106 122.938 -4.951 7.551 1.00 0.00 O ATOM 1615 CB ARG A 106 125.330 -4.771 9.973 1.00 0.00 C ATOM 1616 CG ARG A 106 126.157 -5.536 11.009 1.00 0.00 C ATOM 1617 CD ARG A 106 125.333 -5.719 12.288 1.00 0.00 C ATOM 1618 NE ARG A 106 126.255 -6.392 13.245 1.00 0.00 N ATOM 1619 CZ ARG A 106 125.897 -7.507 13.821 1.00 0.00 C ATOM 1620 NH1 ARG A 106 125.316 -8.446 13.125 1.00 0.00 N ATOM 1621 NH2 ARG A 106 126.120 -7.682 15.096 1.00 0.00 N ATOM 0 H ARG A 106 125.408 -4.952 7.198 1.00 0.00 H new ATOM 0 HA ARG A 106 124.556 -6.752 9.465 1.00 0.00 H new ATOM 0 HB2 ARG A 106 125.972 -4.093 9.410 1.00 0.00 H new ATOM 0 HB3 ARG A 106 124.580 -4.158 10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 106 126.450 -6.507 10.611 1.00 0.00 H new ATOM 0 HG3 ARG A 106 127.075 -4.992 11.230 1.00 0.00 H new ATOM 0 HD2 ARG A 106 124.990 -4.760 12.678 1.00 0.00 H new ATOM 0 HD3 ARG A 106 124.445 -6.324 12.103 1.00 0.00 H new ATOM 0 HE ARG A 106 127.166 -5.981 13.450 1.00 0.00 H new ATOM 0 HH11 ARG A 106 125.141 -8.309 12.129 1.00 0.00 H new ATOM 0 HH12 ARG A 106 125.037 -9.317 13.577 1.00 0.00 H new ATOM 0 HH21 ARG A 106 126.573 -6.948 15.640 1.00 0.00 H new ATOM 0 HH22 ARG A 106 125.841 -8.553 15.548 1.00 0.00 H new ATOM 1635 N LEU A 107 122.372 -5.241 9.656 1.00 0.00 N ATOM 1636 CA LEU A 107 120.976 -4.781 9.403 1.00 0.00 C ATOM 1637 C LEU A 107 120.981 -3.319 8.939 1.00 0.00 C ATOM 1638 O LEU A 107 121.983 -2.641 9.055 1.00 0.00 O ATOM 1639 CB LEU A 107 120.272 -4.920 10.754 1.00 0.00 C ATOM 1640 CG LEU A 107 120.238 -6.395 11.159 1.00 0.00 C ATOM 1641 CD1 LEU A 107 119.622 -6.530 12.551 1.00 0.00 C ATOM 1642 CD2 LEU A 107 119.395 -7.181 10.151 1.00 0.00 C ATOM 0 H LEU A 107 122.571 -5.506 10.621 1.00 0.00 H new ATOM 0 HA LEU A 107 120.478 -5.357 8.623 1.00 0.00 H new ATOM 0 HB2 LEU A 107 120.795 -4.335 11.511 1.00 0.00 H new ATOM 0 HB3 LEU A 107 119.258 -4.525 10.691 1.00 0.00 H new ATOM 0 HG LEU A 107 121.254 -6.790 11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 107 119.598 -7.581 12.838 1.00 0.00 H new ATOM 0 HD12 LEU A 107 120.221 -5.971 13.270 1.00 0.00 H new ATOM 0 HD13 LEU A 107 118.606 -6.134 12.539 1.00 0.00 H new ATOM 0 HD21 LEU A 107 119.370 -8.232 10.439 1.00 0.00 H new ATOM 0 HD22 LEU A 107 118.380 -6.784 10.138 1.00 0.00 H new ATOM 0 HD23 LEU A 107 119.834 -7.087 9.158 1.00 0.00 H new ATOM 1654 N PRO A 108 119.860 -2.876 8.428 1.00 0.00 N ATOM 1655 CA PRO A 108 119.751 -1.476 7.945 1.00 0.00 C ATOM 1656 C PRO A 108 119.776 -0.497 9.124 1.00 0.00 C ATOM 1657 O PRO A 108 120.009 0.684 8.954 1.00 0.00 O ATOM 1658 CB PRO A 108 118.401 -1.445 7.233 1.00 0.00 C ATOM 1659 CG PRO A 108 117.614 -2.554 7.853 1.00 0.00 C ATOM 1660 CD PRO A 108 118.603 -3.617 8.250 1.00 0.00 C ATOM 0 HA PRO A 108 120.574 -1.182 7.294 1.00 0.00 H new ATOM 0 HB2 PRO A 108 117.905 -0.484 7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 108 118.517 -1.595 6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 108 117.060 -2.197 8.721 1.00 0.00 H new ATOM 0 HG3 PRO A 108 116.882 -2.950 7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 108 118.302 -4.121 9.168 1.00 0.00 H new ATOM 0 HD3 PRO A 108 118.696 -4.384 7.481 1.00 0.00 H new ATOM 1668 N VAL A 109 119.544 -0.977 10.318 1.00 0.00 N ATOM 1669 CA VAL A 109 119.560 -0.071 11.504 1.00 0.00 C ATOM 1670 C VAL A 109 120.949 0.559 11.668 1.00 0.00 C ATOM 1671 O VAL A 109 121.082 1.699 12.068 1.00 0.00 O ATOM 1672 CB VAL A 109 119.226 -0.971 12.698 1.00 0.00 C ATOM 1673 CG1 VAL A 109 120.299 -2.051 12.853 1.00 0.00 C ATOM 1674 CG2 VAL A 109 119.168 -0.126 13.973 1.00 0.00 C ATOM 0 H VAL A 109 119.344 -1.956 10.523 1.00 0.00 H new ATOM 0 HA VAL A 109 118.850 0.751 11.408 1.00 0.00 H new ATOM 0 HB VAL A 109 118.260 -1.446 12.528 1.00 0.00 H new ATOM 0 HG11 VAL A 109 120.055 -2.687 13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 109 120.340 -2.656 11.947 1.00 0.00 H new ATOM 0 HG13 VAL A 109 121.268 -1.580 13.018 1.00 0.00 H new ATOM 0 HG21 VAL A 109 118.930 -0.766 14.823 1.00 0.00 H new ATOM 0 HG22 VAL A 109 120.134 0.352 14.137 1.00 0.00 H new ATOM 0 HG23 VAL A 109 118.398 0.639 13.868 1.00 0.00 H new ATOM 1684 N ASP A 110 121.982 -0.178 11.355 1.00 0.00 N ATOM 1685 CA ASP A 110 123.363 0.373 11.488 1.00 0.00 C ATOM 1686 C ASP A 110 123.600 1.461 10.438 1.00 0.00 C ATOM 1687 O ASP A 110 124.183 2.489 10.718 1.00 0.00 O ATOM 1688 CB ASP A 110 124.292 -0.818 11.247 1.00 0.00 C ATOM 1689 CG ASP A 110 124.380 -1.663 12.519 1.00 0.00 C ATOM 1690 OD1 ASP A 110 125.116 -1.279 13.413 1.00 0.00 O ATOM 1691 OD2 ASP A 110 123.711 -2.682 12.577 1.00 0.00 O ATOM 0 H ASP A 110 121.929 -1.138 11.013 1.00 0.00 H new ATOM 0 HA ASP A 110 123.533 0.830 12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 110 123.918 -1.423 10.421 1.00 0.00 H new ATOM 0 HB3 ASP A 110 125.284 -0.467 10.962 1.00 0.00 H new ATOM 1696 N LEU A 111 123.150 1.242 9.230 1.00 0.00 N ATOM 1697 CA LEU A 111 123.347 2.265 8.160 1.00 0.00 C ATOM 1698 C LEU A 111 122.716 3.595 8.582 1.00 0.00 C ATOM 1699 O LEU A 111 123.178 4.658 8.216 1.00 0.00 O ATOM 1700 CB LEU A 111 122.635 1.702 6.928 1.00 0.00 C ATOM 1701 CG LEU A 111 122.822 2.656 5.746 1.00 0.00 C ATOM 1702 CD1 LEU A 111 123.917 2.119 4.821 1.00 0.00 C ATOM 1703 CD2 LEU A 111 121.511 2.769 4.966 1.00 0.00 C ATOM 0 H LEU A 111 122.655 0.399 8.938 1.00 0.00 H new ATOM 0 HA LEU A 111 124.402 2.458 7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 111 123.036 0.719 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 111 121.573 1.570 7.138 1.00 0.00 H new ATOM 0 HG LEU A 111 123.110 3.639 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 111 124.049 2.800 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 111 124.853 2.039 5.373 1.00 0.00 H new ATOM 0 HD13 LEU A 111 123.630 1.135 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 111 121.646 3.449 4.125 1.00 0.00 H new ATOM 0 HD22 LEU A 111 121.222 1.785 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 111 120.730 3.153 5.622 1.00 0.00 H new ATOM 1715 N ALA A 112 121.662 3.541 9.351 1.00 0.00 N ATOM 1716 CA ALA A 112 120.997 4.798 9.800 1.00 0.00 C ATOM 1717 C ALA A 112 121.898 5.552 10.781 1.00 0.00 C ATOM 1718 O ALA A 112 122.395 6.621 10.484 1.00 0.00 O ATOM 1719 CB ALA A 112 119.712 4.343 10.496 1.00 0.00 C ATOM 0 H ALA A 112 121.232 2.680 9.688 1.00 0.00 H new ATOM 0 HA ALA A 112 120.793 5.474 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 112 119.165 5.214 10.856 1.00 0.00 H new ATOM 0 HB2 ALA A 112 119.092 3.791 9.790 1.00 0.00 H new ATOM 0 HB3 ALA A 112 119.963 3.699 11.339 1.00 0.00 H new ATOM 1725 N GLU A 113 122.110 5.005 11.950 1.00 0.00 N ATOM 1726 CA GLU A 113 122.974 5.688 12.955 1.00 0.00 C ATOM 1727 C GLU A 113 124.342 6.026 12.351 1.00 0.00 C ATOM 1728 O GLU A 113 125.012 6.943 12.785 1.00 0.00 O ATOM 1729 CB GLU A 113 123.130 4.682 14.096 1.00 0.00 C ATOM 1730 CG GLU A 113 122.152 5.027 15.221 1.00 0.00 C ATOM 1731 CD GLU A 113 122.679 6.231 16.003 1.00 0.00 C ATOM 1732 OE1 GLU A 113 122.727 7.308 15.433 1.00 0.00 O ATOM 1733 OE2 GLU A 113 123.024 6.057 17.160 1.00 0.00 O ATOM 0 H GLU A 113 121.720 4.112 12.251 1.00 0.00 H new ATOM 0 HA GLU A 113 122.538 6.628 13.293 1.00 0.00 H new ATOM 0 HB2 GLU A 113 122.940 3.672 13.732 1.00 0.00 H new ATOM 0 HB3 GLU A 113 124.153 4.699 14.472 1.00 0.00 H new ATOM 0 HG2 GLU A 113 121.169 5.251 14.807 1.00 0.00 H new ATOM 0 HG3 GLU A 113 122.030 4.172 15.887 1.00 0.00 H new ATOM 1740 N GLU A 114 124.761 5.289 11.358 1.00 0.00 N ATOM 1741 CA GLU A 114 126.089 5.563 10.730 1.00 0.00 C ATOM 1742 C GLU A 114 126.024 6.826 9.865 1.00 0.00 C ATOM 1743 O GLU A 114 127.016 7.500 9.664 1.00 0.00 O ATOM 1744 CB GLU A 114 126.378 4.336 9.863 1.00 0.00 C ATOM 1745 CG GLU A 114 126.838 3.180 10.753 1.00 0.00 C ATOM 1746 CD GLU A 114 128.361 3.220 10.895 1.00 0.00 C ATOM 1747 OE1 GLU A 114 129.025 3.421 9.892 1.00 0.00 O ATOM 1748 OE2 GLU A 114 128.837 3.048 12.006 1.00 0.00 O ATOM 0 H GLU A 114 124.243 4.509 10.954 1.00 0.00 H new ATOM 0 HA GLU A 114 126.867 5.732 11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 114 125.484 4.050 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 114 127.147 4.571 9.127 1.00 0.00 H new ATOM 0 HG2 GLU A 114 126.369 3.253 11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 114 126.527 2.229 10.321 1.00 0.00 H new ATOM 1755 N GLN A 115 124.869 7.150 9.350 1.00 0.00 N ATOM 1756 CA GLN A 115 124.746 8.367 8.495 1.00 0.00 C ATOM 1757 C GLN A 115 124.276 9.567 9.326 1.00 0.00 C ATOM 1758 O GLN A 115 124.383 10.702 8.904 1.00 0.00 O ATOM 1759 CB GLN A 115 123.701 8.006 7.440 1.00 0.00 C ATOM 1760 CG GLN A 115 123.548 9.167 6.454 1.00 0.00 C ATOM 1761 CD GLN A 115 124.841 9.331 5.653 1.00 0.00 C ATOM 1762 OE1 GLN A 115 125.324 8.388 5.060 1.00 0.00 O ATOM 1763 NE2 GLN A 115 125.425 10.497 5.611 1.00 0.00 N ATOM 0 H GLN A 115 124.005 6.625 9.484 1.00 0.00 H new ATOM 0 HA GLN A 115 125.700 8.650 8.049 1.00 0.00 H new ATOM 0 HB2 GLN A 115 124.001 7.102 6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 115 122.745 7.793 7.918 1.00 0.00 H new ATOM 0 HG2 GLN A 115 122.712 8.978 5.780 1.00 0.00 H new ATOM 0 HG3 GLN A 115 123.322 10.088 6.992 1.00 0.00 H new ATOM 0 HE21 GLN A 115 125.019 11.289 6.109 1.00 0.00 H new ATOM 0 HE22 GLN A 115 126.288 10.617 5.080 1.00 0.00 H new ATOM 1772 N GLY A 116 123.755 9.327 10.501 1.00 0.00 N ATOM 1773 CA GLY A 116 123.277 10.458 11.350 1.00 0.00 C ATOM 1774 C GLY A 116 121.816 10.227 11.745 1.00 0.00 C ATOM 1775 O GLY A 116 121.295 10.874 12.632 1.00 0.00 O ATOM 0 H GLY A 116 123.640 8.399 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 116 123.896 10.541 12.243 1.00 0.00 H new ATOM 0 HA3 GLY A 116 123.372 11.398 10.807 1.00 0.00 H new ATOM 1779 N HIS A 117 121.149 9.306 11.097 1.00 0.00 N ATOM 1780 CA HIS A 117 119.721 9.033 11.439 1.00 0.00 C ATOM 1781 C HIS A 117 119.649 8.233 12.744 1.00 0.00 C ATOM 1782 O HIS A 117 119.795 7.026 12.751 1.00 0.00 O ATOM 1783 CB HIS A 117 119.170 8.212 10.269 1.00 0.00 C ATOM 1784 CG HIS A 117 119.604 8.821 8.961 1.00 0.00 C ATOM 1785 ND1 HIS A 117 119.421 10.165 8.674 1.00 0.00 N ATOM 1786 CD2 HIS A 117 120.216 8.282 7.856 1.00 0.00 C ATOM 1787 CE1 HIS A 117 119.915 10.388 7.442 1.00 0.00 C ATOM 1788 NE2 HIS A 117 120.412 9.273 6.899 1.00 0.00 N ATOM 0 H HIS A 117 121.532 8.732 10.346 1.00 0.00 H new ATOM 0 HA HIS A 117 119.147 9.948 11.587 1.00 0.00 H new ATOM 0 HB2 HIS A 117 119.526 7.184 10.336 1.00 0.00 H new ATOM 0 HB3 HIS A 117 118.082 8.177 10.320 1.00 0.00 H new ATOM 0 HD2 HIS A 117 120.502 7.246 7.746 1.00 0.00 H new ATOM 0 HE1 HIS A 117 119.910 11.351 6.952 1.00 0.00 H new ATOM 0 HE2 HIS A 117 120.843 9.170 5.980 1.00 0.00 H new ATOM 1796 N ARG A 118 119.438 8.899 13.850 1.00 0.00 N ATOM 1797 CA ARG A 118 119.372 8.180 15.157 1.00 0.00 C ATOM 1798 C ARG A 118 117.929 7.774 15.487 1.00 0.00 C ATOM 1799 O ARG A 118 117.680 6.680 15.955 1.00 0.00 O ATOM 1800 CB ARG A 118 119.916 9.174 16.192 1.00 0.00 C ATOM 1801 CG ARG A 118 118.947 10.350 16.357 1.00 0.00 C ATOM 1802 CD ARG A 118 119.600 11.431 17.224 1.00 0.00 C ATOM 1803 NE ARG A 118 119.637 10.851 18.595 1.00 0.00 N ATOM 1804 CZ ARG A 118 119.066 11.479 19.585 1.00 0.00 C ATOM 1805 NH1 ARG A 118 119.216 12.770 19.713 1.00 0.00 N ATOM 1806 NH2 ARG A 118 118.342 10.818 20.447 1.00 0.00 N ATOM 0 H ARG A 118 119.309 9.909 13.904 1.00 0.00 H new ATOM 0 HA ARG A 118 119.950 7.256 15.142 1.00 0.00 H new ATOM 0 HB2 ARG A 118 120.057 8.672 17.149 1.00 0.00 H new ATOM 0 HB3 ARG A 118 120.893 9.540 15.877 1.00 0.00 H new ATOM 0 HG2 ARG A 118 118.686 10.760 15.381 1.00 0.00 H new ATOM 0 HG3 ARG A 118 118.020 10.009 16.818 1.00 0.00 H new ATOM 0 HD2 ARG A 118 120.602 11.670 16.869 1.00 0.00 H new ATOM 0 HD3 ARG A 118 119.025 12.356 17.202 1.00 0.00 H new ATOM 0 HE ARG A 118 120.109 9.962 18.760 1.00 0.00 H new ATOM 0 HH11 ARG A 118 119.780 13.287 19.039 1.00 0.00 H new ATOM 0 HH12 ARG A 118 118.769 13.261 20.487 1.00 0.00 H new ATOM 0 HH21 ARG A 118 118.223 9.810 20.346 1.00 0.00 H new ATOM 0 HH22 ARG A 118 117.896 11.310 21.221 1.00 0.00 H new ATOM 1820 N ASP A 119 116.980 8.640 15.246 1.00 0.00 N ATOM 1821 CA ASP A 119 115.560 8.288 15.547 1.00 0.00 C ATOM 1822 C ASP A 119 115.127 7.108 14.675 1.00 0.00 C ATOM 1823 O ASP A 119 114.417 6.220 15.112 1.00 0.00 O ATOM 1824 CB ASP A 119 114.752 9.539 15.198 1.00 0.00 C ATOM 1825 CG ASP A 119 115.172 10.691 16.112 1.00 0.00 C ATOM 1826 OD1 ASP A 119 115.356 10.447 17.293 1.00 0.00 O ATOM 1827 OD2 ASP A 119 115.304 11.798 15.616 1.00 0.00 O ATOM 0 H ASP A 119 117.125 9.571 14.856 1.00 0.00 H new ATOM 0 HA ASP A 119 115.415 7.995 16.587 1.00 0.00 H new ATOM 0 HB2 ASP A 119 114.915 9.811 14.155 1.00 0.00 H new ATOM 0 HB3 ASP A 119 113.686 9.340 15.313 1.00 0.00 H new ATOM 1832 N ILE A 120 115.558 7.094 13.445 1.00 0.00 N ATOM 1833 CA ILE A 120 115.185 5.977 12.532 1.00 0.00 C ATOM 1834 C ILE A 120 115.805 4.666 13.030 1.00 0.00 C ATOM 1835 O ILE A 120 115.205 3.613 12.946 1.00 0.00 O ATOM 1836 CB ILE A 120 115.749 6.386 11.163 1.00 0.00 C ATOM 1837 CG1 ILE A 120 114.984 5.642 10.054 1.00 0.00 C ATOM 1838 CG2 ILE A 120 117.251 6.070 11.090 1.00 0.00 C ATOM 1839 CD1 ILE A 120 115.924 4.708 9.286 1.00 0.00 C ATOM 0 H ILE A 120 116.155 7.810 13.031 1.00 0.00 H new ATOM 0 HA ILE A 120 114.109 5.808 12.483 1.00 0.00 H new ATOM 0 HB ILE A 120 115.622 7.460 11.025 1.00 0.00 H new ATOM 0 HG12 ILE A 120 114.168 5.067 10.491 1.00 0.00 H new ATOM 0 HG13 ILE A 120 114.536 6.361 9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 120 117.638 6.365 10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 120 117.777 6.620 11.870 1.00 0.00 H new ATOM 0 HG23 ILE A 120 117.405 5.001 11.233 1.00 0.00 H new ATOM 0 HD11 ILE A 120 115.365 4.191 8.506 1.00 0.00 H new ATOM 0 HD12 ILE A 120 116.725 5.291 8.832 1.00 0.00 H new ATOM 0 HD13 ILE A 120 116.351 3.977 9.972 1.00 0.00 H new ATOM 1851 N ALA A 121 117.004 4.729 13.550 1.00 0.00 N ATOM 1852 CA ALA A 121 117.668 3.493 14.056 1.00 0.00 C ATOM 1853 C ALA A 121 116.834 2.877 15.180 1.00 0.00 C ATOM 1854 O ALA A 121 116.726 1.672 15.298 1.00 0.00 O ATOM 1855 CB ALA A 121 119.026 3.956 14.588 1.00 0.00 C ATOM 0 H ALA A 121 117.551 5.584 13.646 1.00 0.00 H new ATOM 0 HA ALA A 121 117.775 2.734 13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 121 119.575 3.099 14.979 1.00 0.00 H new ATOM 0 HB2 ALA A 121 119.596 4.415 13.780 1.00 0.00 H new ATOM 0 HB3 ALA A 121 118.875 4.684 15.385 1.00 0.00 H new ATOM 1861 N ARG A 122 116.236 3.698 16.002 1.00 0.00 N ATOM 1862 CA ARG A 122 115.399 3.162 17.116 1.00 0.00 C ATOM 1863 C ARG A 122 114.254 2.322 16.545 1.00 0.00 C ATOM 1864 O ARG A 122 114.040 1.192 16.942 1.00 0.00 O ATOM 1865 CB ARG A 122 114.856 4.396 17.842 1.00 0.00 C ATOM 1866 CG ARG A 122 115.162 4.289 19.339 1.00 0.00 C ATOM 1867 CD ARG A 122 114.941 5.650 20.007 1.00 0.00 C ATOM 1868 NE ARG A 122 116.287 6.063 20.496 1.00 0.00 N ATOM 1869 CZ ARG A 122 116.422 6.555 21.698 1.00 0.00 C ATOM 1870 NH1 ARG A 122 115.540 7.399 22.162 1.00 0.00 N ATOM 1871 NH2 ARG A 122 117.440 6.205 22.436 1.00 0.00 N ATOM 0 H ARG A 122 116.291 4.715 15.951 1.00 0.00 H new ATOM 0 HA ARG A 122 115.965 2.519 17.790 1.00 0.00 H new ATOM 0 HB2 ARG A 122 115.308 5.299 17.432 1.00 0.00 H new ATOM 0 HB3 ARG A 122 113.780 4.478 17.686 1.00 0.00 H new ATOM 0 HG2 ARG A 122 114.520 3.538 19.799 1.00 0.00 H new ATOM 0 HG3 ARG A 122 116.191 3.962 19.488 1.00 0.00 H new ATOM 0 HD2 ARG A 122 114.538 6.376 19.300 1.00 0.00 H new ATOM 0 HD3 ARG A 122 114.228 5.575 20.828 1.00 0.00 H new ATOM 0 HE ARG A 122 117.103 5.961 19.892 1.00 0.00 H new ATOM 0 HH11 ARG A 122 114.745 7.674 21.585 1.00 0.00 H new ATOM 0 HH12 ARG A 122 115.646 7.783 23.101 1.00 0.00 H new ATOM 0 HH21 ARG A 122 118.130 5.547 22.074 1.00 0.00 H new ATOM 0 HH22 ARG A 122 117.545 6.589 23.375 1.00 0.00 H new ATOM 1885 N TYR A 123 113.521 2.865 15.608 1.00 0.00 N ATOM 1886 CA TYR A 123 112.393 2.095 15.004 1.00 0.00 C ATOM 1887 C TYR A 123 112.922 0.817 14.346 1.00 0.00 C ATOM 1888 O TYR A 123 112.227 -0.176 14.249 1.00 0.00 O ATOM 1889 CB TYR A 123 111.788 3.026 13.952 1.00 0.00 C ATOM 1890 CG TYR A 123 110.541 2.395 13.378 1.00 0.00 C ATOM 1891 CD1 TYR A 123 109.508 1.985 14.230 1.00 0.00 C ATOM 1892 CD2 TYR A 123 110.418 2.220 11.995 1.00 0.00 C ATOM 1893 CE1 TYR A 123 108.353 1.400 13.697 1.00 0.00 C ATOM 1894 CE2 TYR A 123 109.263 1.635 11.462 1.00 0.00 C ATOM 1895 CZ TYR A 123 108.230 1.225 12.314 1.00 0.00 C ATOM 1896 OH TYR A 123 107.091 0.648 11.789 1.00 0.00 O ATOM 0 H TYR A 123 113.654 3.805 15.236 1.00 0.00 H new ATOM 0 HA TYR A 123 111.657 1.792 15.748 1.00 0.00 H new ATOM 0 HB2 TYR A 123 111.547 3.990 14.400 1.00 0.00 H new ATOM 0 HB3 TYR A 123 112.511 3.214 13.159 1.00 0.00 H new ATOM 0 HD1 TYR A 123 109.602 2.120 15.297 1.00 0.00 H new ATOM 0 HD2 TYR A 123 111.215 2.536 11.338 1.00 0.00 H new ATOM 0 HE1 TYR A 123 107.556 1.084 14.354 1.00 0.00 H new ATOM 0 HE2 TYR A 123 109.169 1.500 10.395 1.00 0.00 H new ATOM 0 HH TYR A 123 107.237 -0.314 11.669 1.00 0.00 H new ATOM 1906 N LEU A 124 114.149 0.837 13.895 1.00 0.00 N ATOM 1907 CA LEU A 124 114.727 -0.375 13.244 1.00 0.00 C ATOM 1908 C LEU A 124 115.312 -1.316 14.300 1.00 0.00 C ATOM 1909 O LEU A 124 115.210 -2.522 14.194 1.00 0.00 O ATOM 1910 CB LEU A 124 115.833 0.155 12.331 1.00 0.00 C ATOM 1911 CG LEU A 124 115.207 0.812 11.100 1.00 0.00 C ATOM 1912 CD1 LEU A 124 116.303 1.475 10.262 1.00 0.00 C ATOM 1913 CD2 LEU A 124 114.498 -0.252 10.259 1.00 0.00 C ATOM 0 H LEU A 124 114.775 1.640 13.949 1.00 0.00 H new ATOM 0 HA LEU A 124 113.978 -0.943 12.692 1.00 0.00 H new ATOM 0 HB2 LEU A 124 116.448 0.877 12.868 1.00 0.00 H new ATOM 0 HB3 LEU A 124 116.490 -0.660 12.027 1.00 0.00 H new ATOM 0 HG LEU A 124 114.486 1.565 11.418 1.00 0.00 H new ATOM 0 HD11 LEU A 124 115.857 1.943 9.385 1.00 0.00 H new ATOM 0 HD12 LEU A 124 116.810 2.233 10.860 1.00 0.00 H new ATOM 0 HD13 LEU A 124 117.024 0.722 9.944 1.00 0.00 H new ATOM 0 HD21 LEU A 124 114.052 0.216 9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 124 115.219 -1.005 9.941 1.00 0.00 H new ATOM 0 HD23 LEU A 124 113.717 -0.726 10.854 1.00 0.00 H new ATOM 1925 N HIS A 125 115.927 -0.775 15.319 1.00 0.00 N ATOM 1926 CA HIS A 125 116.520 -1.640 16.383 1.00 0.00 C ATOM 1927 C HIS A 125 115.461 -2.591 16.948 1.00 0.00 C ATOM 1928 O HIS A 125 115.766 -3.681 17.391 1.00 0.00 O ATOM 1929 CB HIS A 125 117.003 -0.672 17.463 1.00 0.00 C ATOM 1930 CG HIS A 125 118.427 -0.277 17.180 1.00 0.00 C ATOM 1931 ND1 HIS A 125 119.457 -1.204 17.138 1.00 0.00 N ATOM 1932 CD2 HIS A 125 119.008 0.940 16.925 1.00 0.00 C ATOM 1933 CE1 HIS A 125 120.593 -0.536 16.867 1.00 0.00 C ATOM 1934 NE2 HIS A 125 120.376 0.774 16.727 1.00 0.00 N ATOM 0 H HIS A 125 116.045 0.228 15.461 1.00 0.00 H new ATOM 0 HA HIS A 125 117.331 -2.261 16.002 1.00 0.00 H new ATOM 0 HB2 HIS A 125 116.366 0.212 17.485 1.00 0.00 H new ATOM 0 HB3 HIS A 125 116.932 -1.140 18.445 1.00 0.00 H new ATOM 0 HD2 HIS A 125 118.484 1.883 16.884 1.00 0.00 H new ATOM 0 HE1 HIS A 125 121.563 -1.003 16.774 1.00 0.00 H new ATOM 0 HE2 HIS A 125 121.064 1.497 16.520 1.00 0.00 H new ATOM 1942 N ALA A 126 114.219 -2.187 16.932 1.00 0.00 N ATOM 1943 CA ALA A 126 113.141 -3.069 17.465 1.00 0.00 C ATOM 1944 C ALA A 126 112.419 -3.783 16.314 1.00 0.00 C ATOM 1945 O ALA A 126 111.782 -4.800 16.508 1.00 0.00 O ATOM 1946 CB ALA A 126 112.186 -2.126 18.199 1.00 0.00 C ATOM 0 H ALA A 126 113.905 -1.285 16.573 1.00 0.00 H new ATOM 0 HA ALA A 126 113.530 -3.847 18.122 1.00 0.00 H new ATOM 0 HB1 ALA A 126 111.361 -2.700 18.622 1.00 0.00 H new ATOM 0 HB2 ALA A 126 112.722 -1.616 19.000 1.00 0.00 H new ATOM 0 HB3 ALA A 126 111.793 -1.389 17.499 1.00 0.00 H new ATOM 1952 N ALA A 127 112.515 -3.259 15.119 1.00 0.00 N ATOM 1953 CA ALA A 127 111.836 -3.909 13.958 1.00 0.00 C ATOM 1954 C ALA A 127 112.789 -4.878 13.250 1.00 0.00 C ATOM 1955 O ALA A 127 112.367 -5.832 12.627 1.00 0.00 O ATOM 1956 CB ALA A 127 111.458 -2.756 13.028 1.00 0.00 C ATOM 0 H ALA A 127 113.034 -2.409 14.897 1.00 0.00 H new ATOM 0 HA ALA A 127 110.968 -4.492 14.265 1.00 0.00 H new ATOM 0 HB1 ALA A 127 110.952 -3.150 12.147 1.00 0.00 H new ATOM 0 HB2 ALA A 127 110.792 -2.070 13.551 1.00 0.00 H new ATOM 0 HB3 ALA A 127 112.359 -2.225 12.722 1.00 0.00 H new ATOM 1962 N THR A 128 114.071 -4.637 13.338 1.00 0.00 N ATOM 1963 CA THR A 128 115.053 -5.542 12.667 1.00 0.00 C ATOM 1964 C THR A 128 115.633 -6.542 13.675 1.00 0.00 C ATOM 1965 O THR A 128 116.645 -7.168 13.423 1.00 0.00 O ATOM 1966 CB THR A 128 116.162 -4.619 12.147 1.00 0.00 C ATOM 1967 OG1 THR A 128 116.876 -4.077 13.249 1.00 0.00 O ATOM 1968 CG2 THR A 128 115.556 -3.480 11.322 1.00 0.00 C ATOM 0 H THR A 128 114.481 -3.853 13.845 1.00 0.00 H new ATOM 0 HA THR A 128 114.590 -6.121 11.868 1.00 0.00 H new ATOM 0 HB THR A 128 116.839 -5.194 11.514 1.00 0.00 H new ATOM 0 HG1 THR A 128 116.475 -3.222 13.510 1.00 0.00 H new ATOM 0 HG21 THR A 128 116.352 -2.831 10.958 1.00 0.00 H new ATOM 0 HG22 THR A 128 115.010 -3.895 10.475 1.00 0.00 H new ATOM 0 HG23 THR A 128 114.874 -2.902 11.945 1.00 0.00 H new ATOM 1976 N GLY A 129 115.009 -6.692 14.816 1.00 0.00 N ATOM 1977 CA GLY A 129 115.538 -7.644 15.836 1.00 0.00 C ATOM 1978 C GLY A 129 114.640 -8.881 15.920 1.00 0.00 C ATOM 1979 O GLY A 129 114.574 -9.676 15.003 1.00 0.00 O ATOM 0 H GLY A 129 114.158 -6.197 15.084 1.00 0.00 H new ATOM 0 HA2 GLY A 129 116.554 -7.940 15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 129 115.588 -7.155 16.809 1.00 0.00 H new ATOM 1983 N ASP A 130 113.951 -9.051 17.020 1.00 0.00 N ATOM 1984 CA ASP A 130 113.061 -10.231 17.176 1.00 0.00 C ATOM 1985 C ASP A 130 112.209 -10.094 18.443 1.00 0.00 C ATOM 1986 O ASP A 130 111.414 -10.984 18.698 1.00 0.00 O ATOM 1987 CB ASP A 130 113.998 -11.439 17.279 1.00 0.00 C ATOM 1988 CG ASP A 130 114.909 -11.296 18.505 1.00 0.00 C ATOM 1989 OD1 ASP A 130 115.326 -10.185 18.785 1.00 0.00 O ATOM 1990 OD2 ASP A 130 115.175 -12.304 19.141 1.00 0.00 O ATOM 1991 OXT ASP A 130 112.366 -9.102 19.134 1.00 0.00 O ATOM 0 H ASP A 130 113.970 -8.417 17.819 1.00 0.00 H new ATOM 0 HA ASP A 130 112.368 -10.332 16.341 1.00 0.00 H new ATOM 0 HB2 ASP A 130 113.414 -12.356 17.355 1.00 0.00 H new ATOM 0 HB3 ASP A 130 114.602 -11.519 16.375 1.00 0.00 H new TER 1996 ASP A 130