USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 828 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 89 HIS : no HD1:sc= -1.06 K(o=-0.64,f=-2.5) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0.414 USER MOD Set 2.1: A 84 THR OG1 : rot 180:sc= -0.22 USER MOD Set 2.2: A 108 ASN : amide:sc= -1.39 X(o=-1.6,f=-1.2) USER MOD Set 3.1: A 65 GLN : amide:sc= 0.399 X(o=1.8,f=1.6) USER MOD Set 3.2: A 68 THR OG1 : rot 71:sc= 1.35 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ -171:sc=-0.00986 (180deg=-0.0993) USER MOD Single : A 56 ASN : amide:sc= 0.37 K(o=0.37,f=-5.7!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.539 USER MOD Single : A 69 THR OG1 : rot -44:sc= 1.21 USER MOD Single : A 73 HIS :FLIP no HD1:sc= -0.142 F(o=-0.78,f=-0.14) USER MOD Single : A 76 SER OG : rot 120:sc= -0.1 USER MOD Single : A 86 SER OG : rot -140:sc= 1.84 USER MOD Single : A 95 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.5!) USER MOD Single : A 110 THR OG1 : rot 78:sc= 1.01 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.3!) USER MOD Single : A 118 ASN : amide:sc= 0.0101 K(o=0.01,f=-2.2!) USER MOD Single : A 120 GLN : amide:sc= -3.85! C(o=-3.8!,f=-9.3!) USER MOD Single : A 122 MET CE :methyl 161:sc= -0.628 (180deg=-1.6) USER MOD Single : A 123 GLN : amide:sc= -0.0165 K(o=-0.017,f=-2.4!) USER MOD Single : A 124 THR OG1 : rot -160:sc= 0.937 USER MOD Single : A 129 GLN : amide:sc= 0.767 K(o=0.77,f=-0.43) USER MOD Single : A 132 LYS NZ :NH3+ 167:sc=-0.00724 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 57 N ASN A 5 39.582 -2.236 55.877 1.00 15.11 N ATOM 58 CA ASN A 5 38.216 -2.591 56.165 1.00 15.43 C ATOM 59 C ASN A 5 37.285 -1.924 55.171 1.00 34.12 C ATOM 60 O ASN A 5 36.932 -0.736 55.309 1.00 34.11 O ATOM 61 CB ASN A 5 37.838 -2.181 57.586 1.00 72.55 C ATOM 62 CG ASN A 5 36.410 -2.527 57.947 1.00 64.42 C ATOM 63 OD1 ASN A 5 35.850 -3.525 57.486 1.00 32.05 O ATOM 64 ND2 ASN A 5 35.804 -1.702 58.760 1.00 43.00 N ATOM 0 HA ASN A 5 38.118 -3.673 56.079 1.00 15.43 H new ATOM 0 HB2 ASN A 5 38.512 -2.669 58.290 1.00 72.55 H new ATOM 0 HB3 ASN A 5 37.984 -1.107 57.698 1.00 72.55 H new ATOM 0 HD21 ASN A 5 34.836 -1.874 59.033 1.00 43.00 H new ATOM 0 HD22 ASN A 5 36.299 -0.887 59.122 1.00 43.00 H new ATOM 71 N GLY A 6 36.963 -2.651 54.152 1.00 74.11 N ATOM 72 CA GLY A 6 36.066 -2.206 53.138 1.00 54.03 C ATOM 73 C GLY A 6 35.293 -3.378 52.637 1.00 50.04 C ATOM 74 O GLY A 6 35.698 -4.033 51.676 1.00 2.44 O ATOM 0 H GLY A 6 37.325 -3.592 53.998 1.00 74.11 H new ATOM 0 HA2 GLY A 6 35.390 -1.450 53.537 1.00 54.03 H new ATOM 0 HA3 GLY A 6 36.619 -1.741 52.322 1.00 54.03 H new ATOM 78 N THR A 7 34.208 -3.668 53.302 1.00 35.33 N ATOM 79 CA THR A 7 33.434 -4.837 53.002 1.00 15.02 C ATOM 80 C THR A 7 32.547 -4.621 51.762 1.00 34.24 C ATOM 81 O THR A 7 31.773 -3.657 51.702 1.00 24.03 O ATOM 82 CB THR A 7 32.538 -5.169 54.207 1.00 62.11 C ATOM 83 OG1 THR A 7 33.333 -5.111 55.414 1.00 72.14 O ATOM 84 CG2 THR A 7 31.948 -6.560 54.073 1.00 24.43 C ATOM 0 H THR A 7 33.838 -3.101 54.065 1.00 35.33 H new ATOM 0 HA THR A 7 34.121 -5.658 52.794 1.00 15.02 H new ATOM 0 HB THR A 7 31.724 -4.445 54.248 1.00 62.11 H new ATOM 0 HG1 THR A 7 32.769 -5.320 56.188 1.00 72.14 H new ATOM 0 HG21 THR A 7 31.318 -6.773 54.937 1.00 24.43 H new ATOM 0 HG22 THR A 7 31.349 -6.615 53.164 1.00 24.43 H new ATOM 0 HG23 THR A 7 32.753 -7.293 54.022 1.00 24.43 H new ATOM 92 N PRO A 8 32.704 -5.473 50.743 1.00 15.02 N ATOM 93 CA PRO A 8 31.828 -5.485 49.578 1.00 64.41 C ATOM 94 C PRO A 8 30.432 -5.986 49.953 1.00 63.51 C ATOM 95 O PRO A 8 30.304 -6.963 50.722 1.00 73.42 O ATOM 96 CB PRO A 8 32.513 -6.466 48.617 1.00 64.53 C ATOM 97 CG PRO A 8 33.353 -7.339 49.478 1.00 42.34 C ATOM 98 CD PRO A 8 33.760 -6.509 50.653 1.00 10.43 C ATOM 0 HA PRO A 8 31.689 -4.494 49.146 1.00 64.41 H new ATOM 0 HB2 PRO A 8 31.779 -7.050 48.062 1.00 64.53 H new ATOM 0 HB3 PRO A 8 33.120 -5.937 47.882 1.00 64.53 H new ATOM 0 HG2 PRO A 8 32.796 -8.219 49.799 1.00 42.34 H new ATOM 0 HG3 PRO A 8 34.227 -7.696 48.933 1.00 42.34 H new ATOM 0 HD2 PRO A 8 33.813 -7.105 51.564 1.00 10.43 H new ATOM 0 HD3 PRO A 8 34.744 -6.064 50.506 1.00 10.43 H new ATOM 106 N GLU A 9 29.393 -5.372 49.442 1.00 54.05 N ATOM 107 CA GLU A 9 28.076 -5.885 49.720 1.00 15.43 C ATOM 108 C GLU A 9 27.627 -6.800 48.583 1.00 4.14 C ATOM 109 O GLU A 9 27.908 -6.516 47.397 1.00 43.11 O ATOM 110 CB GLU A 9 27.022 -4.788 49.992 1.00 13.02 C ATOM 111 CG GLU A 9 26.765 -3.819 48.854 1.00 62.33 C ATOM 112 CD GLU A 9 25.521 -2.998 49.087 1.00 34.41 C ATOM 113 OE1 GLU A 9 25.566 -2.033 49.876 1.00 60.44 O ATOM 114 OE2 GLU A 9 24.461 -3.311 48.484 1.00 21.35 O ATOM 0 H GLU A 9 29.429 -4.542 48.850 1.00 54.05 H new ATOM 0 HA GLU A 9 28.151 -6.453 50.647 1.00 15.43 H new ATOM 0 HB2 GLU A 9 26.080 -5.272 50.251 1.00 13.02 H new ATOM 0 HB3 GLU A 9 27.337 -4.217 50.865 1.00 13.02 H new ATOM 0 HG2 GLU A 9 27.622 -3.156 48.741 1.00 62.33 H new ATOM 0 HG3 GLU A 9 26.665 -4.373 47.921 1.00 62.33 H new ATOM 121 N PRO A 10 27.005 -7.941 48.903 1.00 14.25 N ATOM 122 CA PRO A 10 26.462 -8.825 47.906 1.00 3.43 C ATOM 123 C PRO A 10 25.169 -8.251 47.352 1.00 65.44 C ATOM 124 O PRO A 10 24.278 -7.863 48.110 1.00 41.31 O ATOM 125 CB PRO A 10 26.176 -10.135 48.664 1.00 21.45 C ATOM 126 CG PRO A 10 26.754 -9.946 50.023 1.00 53.24 C ATOM 127 CD PRO A 10 26.794 -8.474 50.254 1.00 63.40 C ATOM 0 HA PRO A 10 27.139 -8.970 47.064 1.00 3.43 H new ATOM 0 HB2 PRO A 10 25.105 -10.331 48.717 1.00 21.45 H new ATOM 0 HB3 PRO A 10 26.631 -10.987 48.159 1.00 21.45 H new ATOM 0 HG2 PRO A 10 26.145 -10.443 50.778 1.00 53.24 H new ATOM 0 HG3 PRO A 10 27.753 -10.378 50.085 1.00 53.24 H new ATOM 0 HD2 PRO A 10 25.866 -8.108 50.693 1.00 63.40 H new ATOM 0 HD3 PRO A 10 27.600 -8.192 50.931 1.00 63.40 H new ATOM 135 N GLN A 11 25.094 -8.144 46.053 1.00 63.04 N ATOM 136 CA GLN A 11 23.913 -7.656 45.392 1.00 11.24 C ATOM 137 C GLN A 11 22.800 -8.665 45.563 1.00 1.23 C ATOM 138 O GLN A 11 22.974 -9.850 45.240 1.00 3.44 O ATOM 139 CB GLN A 11 24.177 -7.467 43.901 1.00 3.21 C ATOM 140 CG GLN A 11 25.260 -6.460 43.566 1.00 55.15 C ATOM 141 CD GLN A 11 25.527 -6.389 42.078 1.00 31.42 C ATOM 142 OE1 GLN A 11 24.633 -6.619 41.254 1.00 14.14 O ATOM 143 NE2 GLN A 11 26.740 -6.080 41.716 1.00 61.23 N ATOM 0 H GLN A 11 25.854 -8.394 45.420 1.00 63.04 H new ATOM 0 HA GLN A 11 23.633 -6.698 45.831 1.00 11.24 H new ATOM 0 HB2 GLN A 11 24.451 -8.430 43.471 1.00 3.21 H new ATOM 0 HB3 GLN A 11 23.250 -7.155 43.420 1.00 3.21 H new ATOM 0 HG2 GLN A 11 24.964 -5.476 43.929 1.00 55.15 H new ATOM 0 HG3 GLN A 11 26.179 -6.729 44.087 1.00 55.15 H new ATOM 0 HE21 GLN A 11 27.452 -5.897 42.423 1.00 61.23 H new ATOM 0 HE22 GLN A 11 26.977 -6.021 40.726 1.00 61.23 H new ATOM 152 N VAL A 12 21.703 -8.239 46.110 1.00 73.45 N ATOM 153 CA VAL A 12 20.560 -9.104 46.227 1.00 2.13 C ATOM 154 C VAL A 12 19.700 -8.896 45.001 1.00 32.42 C ATOM 155 O VAL A 12 18.921 -7.936 44.929 1.00 31.42 O ATOM 156 CB VAL A 12 19.723 -8.837 47.516 1.00 20.44 C ATOM 157 CG1 VAL A 12 18.561 -9.824 47.631 1.00 33.34 C ATOM 158 CG2 VAL A 12 20.601 -8.911 48.757 1.00 1.32 C ATOM 0 H VAL A 12 21.571 -7.299 46.483 1.00 73.45 H new ATOM 0 HA VAL A 12 20.911 -10.133 46.302 1.00 2.13 H new ATOM 0 HB VAL A 12 19.312 -7.830 47.441 1.00 20.44 H new ATOM 0 HG11 VAL A 12 17.994 -9.615 48.538 1.00 33.34 H new ATOM 0 HG12 VAL A 12 17.909 -9.721 46.764 1.00 33.34 H new ATOM 0 HG13 VAL A 12 18.950 -10.841 47.673 1.00 33.34 H new ATOM 0 HG21 VAL A 12 19.995 -8.721 49.643 1.00 1.32 H new ATOM 0 HG22 VAL A 12 21.048 -9.903 48.828 1.00 1.32 H new ATOM 0 HG23 VAL A 12 21.390 -8.162 48.690 1.00 1.32 H new ATOM 168 N GLU A 13 19.898 -9.736 44.009 1.00 51.41 N ATOM 169 CA GLU A 13 19.157 -9.631 42.784 1.00 43.25 C ATOM 170 C GLU A 13 17.723 -10.042 43.108 1.00 31.31 C ATOM 171 O GLU A 13 17.486 -11.103 43.698 1.00 0.45 O ATOM 172 CB GLU A 13 19.800 -10.518 41.704 1.00 75.14 C ATOM 173 CG GLU A 13 19.502 -10.108 40.259 1.00 21.22 C ATOM 174 CD GLU A 13 18.047 -10.138 39.918 1.00 10.51 C ATOM 175 OE1 GLU A 13 17.535 -11.222 39.605 1.00 1.24 O ATOM 176 OE2 GLU A 13 17.388 -9.081 39.991 1.00 52.00 O ATOM 0 H GLU A 13 20.571 -10.502 44.033 1.00 51.41 H new ATOM 0 HA GLU A 13 19.163 -8.617 42.383 1.00 43.25 H new ATOM 0 HB2 GLU A 13 20.880 -10.515 41.850 1.00 75.14 H new ATOM 0 HB3 GLU A 13 19.462 -11.544 41.851 1.00 75.14 H new ATOM 0 HG2 GLU A 13 19.886 -9.102 40.089 1.00 21.22 H new ATOM 0 HG3 GLU A 13 20.039 -10.773 39.583 1.00 21.22 H new ATOM 183 N THR A 14 16.803 -9.202 42.761 1.00 3.51 N ATOM 184 CA THR A 14 15.452 -9.347 43.186 1.00 73.23 C ATOM 185 C THR A 14 14.534 -9.963 42.107 1.00 13.11 C ATOM 186 O THR A 14 13.521 -10.607 42.450 1.00 4.34 O ATOM 187 CB THR A 14 14.920 -7.965 43.608 1.00 13.32 C ATOM 188 OG1 THR A 14 15.910 -7.327 44.445 1.00 43.31 O ATOM 189 CG2 THR A 14 13.627 -8.099 44.397 1.00 65.43 C ATOM 0 H THR A 14 16.971 -8.389 42.169 1.00 3.51 H new ATOM 0 HA THR A 14 15.441 -10.044 44.024 1.00 73.23 H new ATOM 0 HB THR A 14 14.724 -7.374 42.713 1.00 13.32 H new ATOM 0 HG1 THR A 14 15.586 -6.444 44.720 1.00 43.31 H new ATOM 0 HG21 THR A 14 13.271 -7.109 44.684 1.00 65.43 H new ATOM 0 HG22 THR A 14 12.874 -8.591 43.781 1.00 65.43 H new ATOM 0 HG23 THR A 14 13.807 -8.693 45.293 1.00 65.43 H new ATOM 197 N THR A 15 14.884 -9.834 40.822 1.00 53.03 N ATOM 198 CA THR A 15 13.984 -10.291 39.794 1.00 62.32 C ATOM 199 C THR A 15 14.111 -11.804 39.512 1.00 4.51 C ATOM 200 O THR A 15 14.700 -12.275 38.535 1.00 25.14 O ATOM 201 CB THR A 15 13.934 -9.385 38.500 1.00 72.41 C ATOM 202 OG1 THR A 15 12.849 -9.786 37.635 1.00 10.41 O ATOM 203 CG2 THR A 15 15.239 -9.393 37.709 1.00 4.25 C ATOM 0 H THR A 15 15.759 -9.428 40.490 1.00 53.03 H new ATOM 0 HA THR A 15 12.989 -10.159 40.218 1.00 62.32 H new ATOM 0 HB THR A 15 13.773 -8.367 38.855 1.00 72.41 H new ATOM 0 HG1 THR A 15 12.835 -9.212 36.841 1.00 10.41 H new ATOM 0 HG21 THR A 15 15.138 -8.752 36.833 1.00 4.25 H new ATOM 0 HG22 THR A 15 16.048 -9.023 38.338 1.00 4.25 H new ATOM 0 HG23 THR A 15 15.464 -10.410 37.389 1.00 4.25 H new ATOM 211 N SER A 16 13.627 -12.531 40.454 1.00 22.15 N ATOM 212 CA SER A 16 13.504 -13.941 40.428 1.00 32.25 C ATOM 213 C SER A 16 12.164 -14.214 41.052 1.00 13.34 C ATOM 214 O SER A 16 11.820 -13.547 42.033 1.00 35.53 O ATOM 215 CB SER A 16 14.641 -14.574 41.226 1.00 73.32 C ATOM 216 OG SER A 16 15.902 -14.220 40.658 1.00 64.15 O ATOM 0 H SER A 16 13.283 -12.125 41.324 1.00 22.15 H new ATOM 0 HA SER A 16 13.567 -14.361 39.424 1.00 32.25 H new ATOM 0 HB2 SER A 16 14.595 -14.242 42.263 1.00 73.32 H new ATOM 0 HB3 SER A 16 14.529 -15.658 41.234 1.00 73.32 H new ATOM 0 HG SER A 16 16.623 -14.631 41.180 1.00 64.15 H new ATOM 222 N VAL A 17 11.409 -15.153 40.487 1.00 1.01 N ATOM 223 CA VAL A 17 10.002 -15.381 40.852 1.00 72.03 C ATOM 224 C VAL A 17 9.194 -14.201 40.312 1.00 63.21 C ATOM 225 O VAL A 17 9.331 -13.053 40.772 1.00 25.04 O ATOM 226 CB VAL A 17 9.743 -15.549 42.391 1.00 64.42 C ATOM 227 CG1 VAL A 17 8.269 -15.833 42.677 1.00 62.31 C ATOM 228 CG2 VAL A 17 10.615 -16.641 42.987 1.00 0.31 C ATOM 0 H VAL A 17 11.751 -15.782 39.761 1.00 1.01 H new ATOM 0 HA VAL A 17 9.698 -16.331 40.413 1.00 72.03 H new ATOM 0 HB VAL A 17 10.010 -14.605 42.866 1.00 64.42 H new ATOM 0 HG11 VAL A 17 8.122 -15.944 43.751 1.00 62.31 H new ATOM 0 HG12 VAL A 17 7.661 -15.005 42.311 1.00 62.31 H new ATOM 0 HG13 VAL A 17 7.971 -16.752 42.173 1.00 62.31 H new ATOM 0 HG21 VAL A 17 10.409 -16.729 44.054 1.00 0.31 H new ATOM 0 HG22 VAL A 17 10.397 -17.589 42.496 1.00 0.31 H new ATOM 0 HG23 VAL A 17 11.665 -16.389 42.840 1.00 0.31 H new ATOM 616 N GLY A 45 1.958 -15.356 2.839 1.00 42.54 N ATOM 617 CA GLY A 45 3.315 -14.859 2.958 1.00 52.41 C ATOM 618 C GLY A 45 3.494 -13.594 2.181 1.00 22.52 C ATOM 619 O GLY A 45 4.328 -12.747 2.519 1.00 41.35 O ATOM 0 HA2 GLY A 45 3.550 -14.681 4.007 1.00 52.41 H new ATOM 0 HA3 GLY A 45 4.015 -15.613 2.598 1.00 52.41 H new ATOM 623 N SER A 46 2.718 -13.471 1.143 1.00 42.50 N ATOM 624 CA SER A 46 2.721 -12.315 0.328 1.00 31.21 C ATOM 625 C SER A 46 1.273 -11.865 0.176 1.00 25.24 C ATOM 626 O SER A 46 0.360 -12.684 0.148 1.00 4.51 O ATOM 627 CB SER A 46 3.313 -12.647 -1.035 1.00 52.42 C ATOM 628 OG SER A 46 4.502 -13.436 -0.897 1.00 14.23 O ATOM 0 H SER A 46 2.059 -14.189 0.844 1.00 42.50 H new ATOM 0 HA SER A 46 3.323 -11.524 0.775 1.00 31.21 H new ATOM 0 HB2 SER A 46 2.580 -13.188 -1.633 1.00 52.42 H new ATOM 0 HB3 SER A 46 3.543 -11.726 -1.570 1.00 52.42 H new ATOM 0 HG SER A 46 4.865 -13.639 -1.784 1.00 14.23 H new ATOM 634 N ALA A 47 1.077 -10.601 0.095 1.00 12.41 N ATOM 635 CA ALA A 47 -0.240 -10.017 -0.030 1.00 62.31 C ATOM 636 C ALA A 47 -0.097 -8.807 -0.888 1.00 40.13 C ATOM 637 O ALA A 47 1.024 -8.457 -1.224 1.00 61.24 O ATOM 638 CB ALA A 47 -0.804 -9.653 1.334 1.00 0.14 C ATOM 0 H ALA A 47 1.832 -9.915 0.113 1.00 12.41 H new ATOM 0 HA ALA A 47 -0.936 -10.726 -0.477 1.00 62.31 H new ATOM 0 HB1 ALA A 47 -1.795 -9.216 1.213 1.00 0.14 H new ATOM 0 HB2 ALA A 47 -0.876 -10.550 1.949 1.00 0.14 H new ATOM 0 HB3 ALA A 47 -0.146 -8.932 1.819 1.00 0.14 H new ATOM 644 N LEU A 48 -1.171 -8.154 -1.231 1.00 75.03 N ATOM 645 CA LEU A 48 -1.077 -7.040 -2.127 1.00 71.31 C ATOM 646 C LEU A 48 -1.866 -5.841 -1.658 1.00 54.31 C ATOM 647 O LEU A 48 -2.824 -5.960 -0.889 1.00 70.14 O ATOM 648 CB LEU A 48 -1.417 -7.461 -3.590 1.00 3.31 C ATOM 649 CG LEU A 48 -2.734 -8.234 -3.848 1.00 14.15 C ATOM 650 CD1 LEU A 48 -3.968 -7.361 -3.675 1.00 33.30 C ATOM 651 CD2 LEU A 48 -2.713 -8.865 -5.231 1.00 23.34 C ATOM 0 H LEU A 48 -2.113 -8.372 -0.907 1.00 75.03 H new ATOM 0 HA LEU A 48 -0.037 -6.713 -2.125 1.00 71.31 H new ATOM 0 HB2 LEU A 48 -1.438 -6.557 -4.199 1.00 3.31 H new ATOM 0 HB3 LEU A 48 -0.595 -8.074 -3.958 1.00 3.31 H new ATOM 0 HG LEU A 48 -2.797 -9.020 -3.096 1.00 14.15 H new ATOM 0 HD11 LEU A 48 -4.863 -7.953 -3.868 1.00 33.30 H new ATOM 0 HD12 LEU A 48 -4.001 -6.975 -2.656 1.00 33.30 H new ATOM 0 HD13 LEU A 48 -3.926 -6.528 -4.377 1.00 33.30 H new ATOM 0 HD21 LEU A 48 -3.645 -9.405 -5.399 1.00 23.34 H new ATOM 0 HD22 LEU A 48 -2.605 -8.085 -5.985 1.00 23.34 H new ATOM 0 HD23 LEU A 48 -1.874 -9.558 -5.302 1.00 23.34 H new ATOM 663 N LEU A 49 -1.442 -4.705 -2.085 1.00 41.33 N ATOM 664 CA LEU A 49 -2.139 -3.492 -1.803 1.00 1.01 C ATOM 665 C LEU A 49 -2.561 -2.883 -3.096 1.00 15.13 C ATOM 666 O LEU A 49 -1.820 -2.959 -4.084 1.00 53.31 O ATOM 667 CB LEU A 49 -1.327 -2.492 -0.900 1.00 72.44 C ATOM 668 CG LEU A 49 0.024 -1.861 -1.389 1.00 23.04 C ATOM 669 CD1 LEU A 49 1.075 -2.876 -1.757 1.00 73.41 C ATOM 670 CD2 LEU A 49 -0.158 -0.810 -2.483 1.00 1.13 C ATOM 0 H LEU A 49 -0.597 -4.586 -2.644 1.00 41.33 H new ATOM 0 HA LEU A 49 -3.018 -3.729 -1.204 1.00 1.01 H new ATOM 0 HB2 LEU A 49 -1.996 -1.665 -0.662 1.00 72.44 H new ATOM 0 HB3 LEU A 49 -1.115 -3.010 0.035 1.00 72.44 H new ATOM 0 HG LEU A 49 0.406 -1.337 -0.513 1.00 23.04 H new ATOM 0 HD11 LEU A 49 1.978 -2.362 -2.085 1.00 73.41 H new ATOM 0 HD12 LEU A 49 1.304 -3.494 -0.889 1.00 73.41 H new ATOM 0 HD13 LEU A 49 0.704 -3.508 -2.564 1.00 73.41 H new ATOM 0 HD21 LEU A 49 0.815 -0.415 -2.774 1.00 1.13 H new ATOM 0 HD22 LEU A 49 -0.638 -1.266 -3.349 1.00 1.13 H new ATOM 0 HD23 LEU A 49 -0.781 0.002 -2.108 1.00 1.13 H new ATOM 682 N VAL A 50 -3.736 -2.332 -3.118 1.00 42.53 N ATOM 683 CA VAL A 50 -4.264 -1.721 -4.305 1.00 61.34 C ATOM 684 C VAL A 50 -4.569 -0.270 -4.005 1.00 2.41 C ATOM 685 O VAL A 50 -5.426 0.028 -3.173 1.00 5.20 O ATOM 686 CB VAL A 50 -5.587 -2.411 -4.777 1.00 71.22 C ATOM 687 CG1 VAL A 50 -6.051 -1.855 -6.123 1.00 64.22 C ATOM 688 CG2 VAL A 50 -5.451 -3.930 -4.833 1.00 13.34 C ATOM 0 H VAL A 50 -4.360 -2.292 -2.312 1.00 42.53 H new ATOM 0 HA VAL A 50 -3.521 -1.822 -5.096 1.00 61.34 H new ATOM 0 HB VAL A 50 -6.349 -2.181 -4.033 1.00 71.22 H new ATOM 0 HG11 VAL A 50 -6.972 -2.354 -6.425 1.00 64.22 H new ATOM 0 HG12 VAL A 50 -6.231 -0.784 -6.032 1.00 64.22 H new ATOM 0 HG13 VAL A 50 -5.281 -2.030 -6.874 1.00 64.22 H new ATOM 0 HG21 VAL A 50 -6.392 -4.368 -5.165 1.00 13.34 H new ATOM 0 HG22 VAL A 50 -4.659 -4.199 -5.532 1.00 13.34 H new ATOM 0 HG23 VAL A 50 -5.204 -4.310 -3.842 1.00 13.34 H new ATOM 698 N VAL A 51 -3.866 0.624 -4.631 1.00 33.14 N ATOM 699 CA VAL A 51 -4.157 2.027 -4.464 1.00 55.24 C ATOM 700 C VAL A 51 -5.088 2.434 -5.575 1.00 44.32 C ATOM 701 O VAL A 51 -4.724 2.384 -6.756 1.00 20.13 O ATOM 702 CB VAL A 51 -2.873 2.899 -4.460 1.00 1.33 C ATOM 703 CG1 VAL A 51 -3.206 4.376 -4.303 1.00 63.31 C ATOM 704 CG2 VAL A 51 -1.951 2.458 -3.339 1.00 22.00 C ATOM 0 H VAL A 51 -3.090 0.416 -5.260 1.00 33.14 H new ATOM 0 HA VAL A 51 -4.625 2.187 -3.493 1.00 55.24 H new ATOM 0 HB VAL A 51 -2.372 2.764 -5.419 1.00 1.33 H new ATOM 0 HG11 VAL A 51 -2.285 4.959 -4.304 1.00 63.31 H new ATOM 0 HG12 VAL A 51 -3.839 4.696 -5.131 1.00 63.31 H new ATOM 0 HG13 VAL A 51 -3.733 4.532 -3.362 1.00 63.31 H new ATOM 0 HG21 VAL A 51 -1.052 3.075 -3.343 1.00 22.00 H new ATOM 0 HG22 VAL A 51 -2.462 2.568 -2.383 1.00 22.00 H new ATOM 0 HG23 VAL A 51 -1.675 1.414 -3.485 1.00 22.00 H new ATOM 714 N LYS A 52 -6.284 2.817 -5.204 1.00 31.54 N ATOM 715 CA LYS A 52 -7.314 3.110 -6.176 1.00 52.35 C ATOM 716 C LYS A 52 -7.276 4.584 -6.567 1.00 51.21 C ATOM 717 O LYS A 52 -7.736 4.978 -7.646 1.00 65.22 O ATOM 718 CB LYS A 52 -8.683 2.727 -5.616 1.00 62.22 C ATOM 719 CG LYS A 52 -9.751 2.586 -6.679 1.00 44.14 C ATOM 720 CD LYS A 52 -11.096 2.247 -6.085 1.00 13.34 C ATOM 721 CE LYS A 52 -12.107 1.916 -7.172 1.00 34.32 C ATOM 722 NZ LYS A 52 -12.268 3.000 -8.167 1.00 40.34 N ATOM 0 H LYS A 52 -6.572 2.934 -4.232 1.00 31.54 H new ATOM 0 HA LYS A 52 -7.131 2.521 -7.075 1.00 52.35 H new ATOM 0 HB2 LYS A 52 -8.595 1.786 -5.074 1.00 62.22 H new ATOM 0 HB3 LYS A 52 -8.996 3.482 -4.895 1.00 62.22 H new ATOM 0 HG2 LYS A 52 -9.827 3.516 -7.242 1.00 44.14 H new ATOM 0 HG3 LYS A 52 -9.460 1.808 -7.385 1.00 44.14 H new ATOM 0 HD2 LYS A 52 -10.995 1.399 -5.408 1.00 13.34 H new ATOM 0 HD3 LYS A 52 -11.457 3.087 -5.492 1.00 13.34 H new ATOM 0 HE2 LYS A 52 -11.796 1.005 -7.684 1.00 34.32 H new ATOM 0 HE3 LYS A 52 -13.072 1.709 -6.711 1.00 34.32 H new ATOM 0 HZ1 LYS A 52 -13.073 2.783 -8.789 1.00 40.34 H new ATOM 0 HZ2 LYS A 52 -12.443 3.899 -7.675 1.00 40.34 H new ATOM 0 HZ3 LYS A 52 -11.401 3.080 -8.737 1.00 40.34 H new ATOM 736 N ARG A 53 -6.739 5.399 -5.686 1.00 34.23 N ATOM 737 CA ARG A 53 -6.575 6.799 -5.964 1.00 22.55 C ATOM 738 C ARG A 53 -5.328 7.235 -5.271 1.00 23.35 C ATOM 739 O ARG A 53 -5.231 7.102 -4.046 1.00 1.34 O ATOM 740 CB ARG A 53 -7.742 7.629 -5.430 1.00 74.34 C ATOM 741 CG ARG A 53 -7.748 9.065 -5.953 1.00 44.50 C ATOM 742 CD ARG A 53 -8.712 9.948 -5.180 1.00 61.24 C ATOM 743 NE ARG A 53 -8.159 10.355 -3.871 1.00 34.54 N ATOM 744 CZ ARG A 53 -8.637 10.007 -2.668 1.00 22.22 C ATOM 745 NH1 ARG A 53 -9.608 9.115 -2.557 1.00 30.01 N ATOM 746 NH2 ARG A 53 -8.116 10.542 -1.584 1.00 32.12 N ATOM 0 H ARG A 53 -6.408 5.108 -4.766 1.00 34.23 H new ATOM 0 HA ARG A 53 -6.530 6.948 -7.043 1.00 22.55 H new ATOM 0 HB2 ARG A 53 -8.679 7.145 -5.705 1.00 74.34 H new ATOM 0 HB3 ARG A 53 -7.699 7.646 -4.341 1.00 74.34 H new ATOM 0 HG2 ARG A 53 -6.742 9.480 -5.885 1.00 44.50 H new ATOM 0 HG3 ARG A 53 -8.022 9.065 -7.008 1.00 44.50 H new ATOM 0 HD2 ARG A 53 -8.942 10.836 -5.769 1.00 61.24 H new ATOM 0 HD3 ARG A 53 -9.650 9.414 -5.028 1.00 61.24 H new ATOM 0 HE ARG A 53 -7.336 10.957 -3.884 1.00 34.54 H new ATOM 0 HH11 ARG A 53 -10.002 8.683 -3.393 1.00 30.01 H new ATOM 0 HH12 ARG A 53 -9.963 8.859 -1.635 1.00 30.01 H new ATOM 0 HH21 ARG A 53 -7.354 11.216 -1.663 1.00 32.12 H new ATOM 0 HH22 ARG A 53 -8.474 10.283 -0.665 1.00 32.12 H new ATOM 760 N GLY A 54 -4.377 7.706 -6.014 1.00 22.12 N ATOM 761 CA GLY A 54 -3.164 8.144 -5.426 1.00 74.13 C ATOM 762 C GLY A 54 -1.975 7.821 -6.276 1.00 40.54 C ATOM 763 O GLY A 54 -1.668 6.643 -6.475 1.00 74.30 O ATOM 0 H GLY A 54 -4.423 7.795 -7.029 1.00 22.12 H new ATOM 0 HA2 GLY A 54 -3.210 9.221 -5.262 1.00 74.13 H new ATOM 0 HA3 GLY A 54 -3.047 7.677 -4.448 1.00 74.13 H new ATOM 767 N PRO A 55 -1.244 8.849 -6.766 1.00 3.14 N ATOM 768 CA PRO A 55 -0.034 8.665 -7.599 1.00 51.12 C ATOM 769 C PRO A 55 1.086 7.996 -6.802 1.00 0.42 C ATOM 770 O PRO A 55 2.110 7.589 -7.354 1.00 53.34 O ATOM 771 CB PRO A 55 0.377 10.091 -7.961 1.00 12.23 C ATOM 772 CG PRO A 55 -0.833 10.919 -7.715 1.00 53.32 C ATOM 773 CD PRO A 55 -1.539 10.281 -6.567 1.00 61.40 C ATOM 0 HA PRO A 55 -0.223 8.031 -8.465 1.00 51.12 H new ATOM 0 HB2 PRO A 55 1.215 10.427 -7.350 1.00 12.23 H new ATOM 0 HB3 PRO A 55 0.695 10.157 -9.002 1.00 12.23 H new ATOM 0 HG2 PRO A 55 -0.561 11.949 -7.483 1.00 53.32 H new ATOM 0 HG3 PRO A 55 -1.471 10.949 -8.598 1.00 53.32 H new ATOM 0 HD2 PRO A 55 -1.165 10.643 -5.609 1.00 61.40 H new ATOM 0 HD3 PRO A 55 -2.610 10.481 -6.588 1.00 61.40 H new ATOM 781 N ASN A 56 0.856 7.918 -5.491 1.00 61.13 N ATOM 782 CA ASN A 56 1.698 7.242 -4.502 1.00 44.21 C ATOM 783 C ASN A 56 2.056 5.839 -4.985 1.00 11.44 C ATOM 784 O ASN A 56 3.164 5.351 -4.774 1.00 51.02 O ATOM 785 CB ASN A 56 0.936 7.148 -3.149 1.00 61.12 C ATOM 786 CG ASN A 56 0.585 8.514 -2.540 1.00 21.32 C ATOM 787 OD1 ASN A 56 0.362 9.484 -3.252 1.00 53.22 O ATOM 788 ND2 ASN A 56 0.519 8.584 -1.231 1.00 40.00 N ATOM 0 H ASN A 56 0.034 8.347 -5.067 1.00 61.13 H new ATOM 0 HA ASN A 56 2.616 7.814 -4.367 1.00 44.21 H new ATOM 0 HB2 ASN A 56 0.018 6.580 -3.298 1.00 61.12 H new ATOM 0 HB3 ASN A 56 1.544 6.589 -2.438 1.00 61.12 H new ATOM 0 HD21 ASN A 56 0.276 9.466 -0.779 1.00 40.00 H new ATOM 0 HD22 ASN A 56 0.711 7.757 -0.666 1.00 40.00 H new ATOM 795 N ALA A 57 1.109 5.214 -5.652 1.00 55.31 N ATOM 796 CA ALA A 57 1.306 3.925 -6.265 1.00 31.25 C ATOM 797 C ALA A 57 0.372 3.823 -7.445 1.00 34.04 C ATOM 798 O ALA A 57 0.812 3.743 -8.591 1.00 12.43 O ATOM 799 CB ALA A 57 1.070 2.787 -5.279 1.00 33.12 C ATOM 0 H ALA A 57 0.172 5.594 -5.783 1.00 55.31 H new ATOM 0 HA ALA A 57 2.341 3.834 -6.595 1.00 31.25 H new ATOM 0 HB1 ALA A 57 1.229 1.832 -5.780 1.00 33.12 H new ATOM 0 HB2 ALA A 57 1.765 2.879 -4.445 1.00 33.12 H new ATOM 0 HB3 ALA A 57 0.047 2.835 -4.906 1.00 33.12 H new ATOM 805 N GLY A 58 -0.922 3.887 -7.159 1.00 53.34 N ATOM 806 CA GLY A 58 -1.945 3.852 -8.191 1.00 53.53 C ATOM 807 C GLY A 58 -2.044 2.512 -8.876 1.00 30.44 C ATOM 808 O GLY A 58 -2.540 2.418 -10.005 1.00 72.12 O ATOM 0 H GLY A 58 -1.288 3.964 -6.210 1.00 53.34 H new ATOM 0 HA2 GLY A 58 -2.909 4.100 -7.748 1.00 53.53 H new ATOM 0 HA3 GLY A 58 -1.730 4.619 -8.935 1.00 53.53 H new ATOM 812 N ALA A 59 -1.612 1.481 -8.200 1.00 52.13 N ATOM 813 CA ALA A 59 -1.581 0.163 -8.750 1.00 12.42 C ATOM 814 C ALA A 59 -1.584 -0.824 -7.620 1.00 51.22 C ATOM 815 O ALA A 59 -1.643 -0.416 -6.440 1.00 31.44 O ATOM 816 CB ALA A 59 -0.326 -0.015 -9.602 1.00 24.15 C ATOM 0 H ALA A 59 -1.269 1.539 -7.241 1.00 52.13 H new ATOM 0 HA ALA A 59 -2.453 0.001 -9.384 1.00 12.42 H new ATOM 0 HB1 ALA A 59 -0.309 -1.022 -10.018 1.00 24.15 H new ATOM 0 HB2 ALA A 59 -0.331 0.713 -10.413 1.00 24.15 H new ATOM 0 HB3 ALA A 59 0.558 0.137 -8.983 1.00 24.15 H new ATOM 822 N ARG A 60 -1.546 -2.084 -7.956 1.00 13.43 N ATOM 823 CA ARG A 60 -1.459 -3.130 -6.984 1.00 60.04 C ATOM 824 C ARG A 60 -0.095 -3.797 -7.076 1.00 73.02 C ATOM 825 O ARG A 60 0.396 -4.083 -8.185 1.00 53.43 O ATOM 826 CB ARG A 60 -2.572 -4.197 -7.168 1.00 44.20 C ATOM 827 CG ARG A 60 -2.551 -4.916 -8.521 1.00 42.01 C ATOM 828 CD ARG A 60 -3.295 -6.258 -8.504 1.00 21.32 C ATOM 829 NE ARG A 60 -4.732 -6.157 -8.188 1.00 33.43 N ATOM 830 CZ ARG A 60 -5.715 -6.180 -9.105 1.00 71.12 C ATOM 831 NH1 ARG A 60 -5.432 -6.127 -10.400 1.00 12.12 N ATOM 832 NH2 ARG A 60 -6.976 -6.261 -8.719 1.00 62.13 N ATOM 0 H ARG A 60 -1.575 -2.413 -8.921 1.00 13.43 H new ATOM 0 HA ARG A 60 -1.595 -2.678 -6.001 1.00 60.04 H new ATOM 0 HB2 ARG A 60 -2.479 -4.940 -6.376 1.00 44.20 H new ATOM 0 HB3 ARG A 60 -3.542 -3.716 -7.042 1.00 44.20 H new ATOM 0 HG2 ARG A 60 -2.999 -4.269 -9.276 1.00 42.01 H new ATOM 0 HG3 ARG A 60 -1.516 -5.085 -8.819 1.00 42.01 H new ATOM 0 HD2 ARG A 60 -3.183 -6.734 -9.478 1.00 21.32 H new ATOM 0 HD3 ARG A 60 -2.820 -6.913 -7.773 1.00 21.32 H new ATOM 0 HE ARG A 60 -4.998 -6.063 -7.208 1.00 33.43 H new ATOM 0 HH11 ARG A 60 -4.461 -6.068 -10.708 1.00 12.12 H new ATOM 0 HH12 ARG A 60 -6.185 -6.145 -11.088 1.00 12.12 H new ATOM 0 HH21 ARG A 60 -7.203 -6.306 -7.726 1.00 62.13 H new ATOM 0 HH22 ARG A 60 -7.722 -6.278 -9.414 1.00 62.13 H new ATOM 846 N PHE A 61 0.535 -4.011 -5.956 1.00 62.41 N ATOM 847 CA PHE A 61 1.771 -4.763 -5.944 1.00 42.13 C ATOM 848 C PHE A 61 1.812 -5.645 -4.726 1.00 20.34 C ATOM 849 O PHE A 61 1.138 -5.351 -3.726 1.00 61.41 O ATOM 850 CB PHE A 61 3.050 -3.885 -6.104 1.00 63.21 C ATOM 851 CG PHE A 61 3.337 -2.873 -5.024 1.00 22.22 C ATOM 852 CD1 PHE A 61 2.837 -1.583 -5.112 1.00 51.21 C ATOM 853 CD2 PHE A 61 4.143 -3.202 -3.943 1.00 71.42 C ATOM 854 CE1 PHE A 61 3.126 -0.645 -4.138 1.00 62.34 C ATOM 855 CE2 PHE A 61 4.440 -2.269 -2.970 1.00 2.14 C ATOM 856 CZ PHE A 61 3.930 -0.989 -3.067 1.00 11.51 C ATOM 0 H PHE A 61 0.222 -3.681 -5.043 1.00 62.41 H new ATOM 0 HA PHE A 61 1.780 -5.394 -6.833 1.00 42.13 H new ATOM 0 HB2 PHE A 61 3.909 -4.552 -6.178 1.00 63.21 H new ATOM 0 HB3 PHE A 61 2.977 -3.353 -7.053 1.00 63.21 H new ATOM 0 HD1 PHE A 61 2.215 -1.308 -5.951 1.00 51.21 H new ATOM 0 HD2 PHE A 61 4.543 -4.202 -3.862 1.00 71.42 H new ATOM 0 HE1 PHE A 61 2.724 0.355 -4.214 1.00 62.34 H new ATOM 0 HE2 PHE A 61 5.070 -2.539 -2.135 1.00 2.14 H new ATOM 0 HZ PHE A 61 4.159 -0.257 -2.307 1.00 11.51 H new ATOM 866 N LEU A 62 2.528 -6.735 -4.814 1.00 55.33 N ATOM 867 CA LEU A 62 2.599 -7.670 -3.737 1.00 31.21 C ATOM 868 C LEU A 62 3.799 -7.422 -2.844 1.00 52.31 C ATOM 869 O LEU A 62 4.870 -7.029 -3.315 1.00 62.54 O ATOM 870 CB LEU A 62 2.483 -9.143 -4.238 1.00 0.00 C ATOM 871 CG LEU A 62 3.495 -9.664 -5.287 1.00 64.51 C ATOM 872 CD1 LEU A 62 4.869 -9.940 -4.686 1.00 41.13 C ATOM 873 CD2 LEU A 62 2.952 -10.905 -5.974 1.00 3.21 C ATOM 0 H LEU A 62 3.075 -6.994 -5.635 1.00 55.33 H new ATOM 0 HA LEU A 62 1.728 -7.506 -3.102 1.00 31.21 H new ATOM 0 HB2 LEU A 62 2.550 -9.793 -3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.484 -9.271 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 62 3.627 -8.874 -6.027 1.00 64.51 H new ATOM 0 HD11 LEU A 62 5.540 -10.303 -5.464 1.00 41.13 H new ATOM 0 HD12 LEU A 62 5.271 -9.021 -4.260 1.00 41.13 H new ATOM 0 HD13 LEU A 62 4.779 -10.694 -3.904 1.00 41.13 H new ATOM 0 HD21 LEU A 62 3.675 -11.260 -6.709 1.00 3.21 H new ATOM 0 HD22 LEU A 62 2.777 -11.684 -5.232 1.00 3.21 H new ATOM 0 HD23 LEU A 62 2.015 -10.663 -6.475 1.00 3.21 H new ATOM 885 N LEU A 63 3.590 -7.572 -1.557 1.00 54.24 N ATOM 886 CA LEU A 63 4.646 -7.411 -0.591 1.00 65.23 C ATOM 887 C LEU A 63 5.515 -8.658 -0.561 1.00 42.23 C ATOM 888 O LEU A 63 5.047 -9.744 -0.211 1.00 4.32 O ATOM 889 CB LEU A 63 4.102 -7.131 0.839 1.00 42.44 C ATOM 890 CG LEU A 63 3.370 -5.791 1.107 1.00 44.24 C ATOM 891 CD1 LEU A 63 4.215 -4.595 0.686 1.00 21.11 C ATOM 892 CD2 LEU A 63 1.985 -5.747 0.469 1.00 43.44 C ATOM 0 H LEU A 63 2.684 -7.809 -1.153 1.00 54.24 H new ATOM 0 HA LEU A 63 5.234 -6.546 -0.900 1.00 65.23 H new ATOM 0 HB2 LEU A 63 3.417 -7.939 1.096 1.00 42.44 H new ATOM 0 HB3 LEU A 63 4.942 -7.193 1.530 1.00 42.44 H new ATOM 0 HG LEU A 63 3.222 -5.728 2.185 1.00 44.24 H new ATOM 0 HD11 LEU A 63 3.669 -3.674 0.889 1.00 21.11 H new ATOM 0 HD12 LEU A 63 5.149 -4.594 1.247 1.00 21.11 H new ATOM 0 HD13 LEU A 63 4.432 -4.660 -0.380 1.00 21.11 H new ATOM 0 HD21 LEU A 63 1.515 -4.788 0.686 1.00 43.44 H new ATOM 0 HD22 LEU A 63 2.077 -5.870 -0.610 1.00 43.44 H new ATOM 0 HD23 LEU A 63 1.372 -6.552 0.874 1.00 43.44 H new ATOM 904 N ASP A 64 6.748 -8.488 -0.956 1.00 22.23 N ATOM 905 CA ASP A 64 7.773 -9.526 -0.924 1.00 4.31 C ATOM 906 C ASP A 64 9.116 -8.843 -0.632 1.00 63.52 C ATOM 907 O ASP A 64 10.203 -9.387 -0.815 1.00 11.11 O ATOM 908 CB ASP A 64 7.800 -10.299 -2.266 1.00 13.23 C ATOM 909 CG ASP A 64 8.835 -11.417 -2.315 1.00 53.13 C ATOM 910 OD1 ASP A 64 8.747 -12.380 -1.505 1.00 51.32 O ATOM 911 OD2 ASP A 64 9.739 -11.366 -3.182 1.00 31.24 O ATOM 0 H ASP A 64 7.089 -7.599 -1.322 1.00 22.23 H new ATOM 0 HA ASP A 64 7.561 -10.259 -0.146 1.00 4.31 H new ATOM 0 HB2 ASP A 64 6.813 -10.723 -2.449 1.00 13.23 H new ATOM 0 HB3 ASP A 64 8.000 -9.596 -3.075 1.00 13.23 H new ATOM 916 N GLN A 65 9.012 -7.639 -0.151 1.00 1.12 N ATOM 917 CA GLN A 65 10.146 -6.841 0.207 1.00 71.11 C ATOM 918 C GLN A 65 9.958 -6.372 1.650 1.00 15.24 C ATOM 919 O GLN A 65 9.114 -5.505 1.913 1.00 64.13 O ATOM 920 CB GLN A 65 10.262 -5.666 -0.760 1.00 13.34 C ATOM 921 CG GLN A 65 11.358 -4.678 -0.446 1.00 12.14 C ATOM 922 CD GLN A 65 11.397 -3.564 -1.460 1.00 4.44 C ATOM 923 OE1 GLN A 65 12.115 -3.631 -2.450 1.00 44.05 O ATOM 924 NE2 GLN A 65 10.570 -2.578 -1.272 1.00 31.13 N ATOM 0 H GLN A 65 8.117 -7.175 0.006 1.00 1.12 H new ATOM 0 HA GLN A 65 11.071 -7.414 0.141 1.00 71.11 H new ATOM 0 HB2 GLN A 65 10.425 -6.058 -1.764 1.00 13.34 H new ATOM 0 HB3 GLN A 65 9.310 -5.135 -0.776 1.00 13.34 H new ATOM 0 HG2 GLN A 65 11.201 -4.262 0.549 1.00 12.14 H new ATOM 0 HG3 GLN A 65 12.319 -5.191 -0.429 1.00 12.14 H new ATOM 0 HE21 GLN A 65 9.987 -2.554 -0.436 1.00 31.13 H new ATOM 0 HE22 GLN A 65 10.505 -1.829 -1.961 1.00 31.13 H new ATOM 933 N PRO A 66 10.701 -6.998 2.614 1.00 23.40 N ATOM 934 CA PRO A 66 10.557 -6.750 4.062 1.00 42.24 C ATOM 935 C PRO A 66 10.482 -5.279 4.440 1.00 21.13 C ATOM 936 O PRO A 66 9.605 -4.868 5.213 1.00 15.10 O ATOM 937 CB PRO A 66 11.786 -7.410 4.697 1.00 33.20 C ATOM 938 CG PRO A 66 12.597 -7.976 3.576 1.00 5.44 C ATOM 939 CD PRO A 66 11.725 -8.020 2.355 1.00 62.35 C ATOM 0 HA PRO A 66 9.611 -7.160 4.416 1.00 42.24 H new ATOM 0 HB2 PRO A 66 12.366 -6.683 5.265 1.00 33.20 H new ATOM 0 HB3 PRO A 66 11.488 -8.194 5.393 1.00 33.20 H new ATOM 0 HG2 PRO A 66 13.478 -7.361 3.394 1.00 5.44 H new ATOM 0 HG3 PRO A 66 12.952 -8.975 3.828 1.00 5.44 H new ATOM 0 HD2 PRO A 66 12.292 -7.797 1.451 1.00 62.35 H new ATOM 0 HD3 PRO A 66 11.280 -9.005 2.217 1.00 62.35 H new ATOM 947 N THR A 67 11.371 -4.496 3.908 1.00 22.00 N ATOM 948 CA THR A 67 11.364 -3.100 4.187 1.00 63.11 C ATOM 949 C THR A 67 11.018 -2.305 2.928 1.00 0.23 C ATOM 950 O THR A 67 11.858 -2.083 2.064 1.00 52.24 O ATOM 951 CB THR A 67 12.713 -2.647 4.780 1.00 24.02 C ATOM 952 OG1 THR A 67 13.008 -3.454 5.949 1.00 1.52 O ATOM 953 CG2 THR A 67 12.666 -1.176 5.187 1.00 60.31 C ATOM 0 H THR A 67 12.111 -4.805 3.277 1.00 22.00 H new ATOM 0 HA THR A 67 10.595 -2.904 4.934 1.00 63.11 H new ATOM 0 HB THR A 67 13.487 -2.772 4.023 1.00 24.02 H new ATOM 0 HG1 THR A 67 13.866 -3.174 6.332 1.00 1.52 H new ATOM 0 HG21 THR A 67 13.630 -0.882 5.602 1.00 60.31 H new ATOM 0 HG22 THR A 67 12.446 -0.563 4.313 1.00 60.31 H new ATOM 0 HG23 THR A 67 11.889 -1.031 5.937 1.00 60.31 H new ATOM 961 N THR A 68 9.775 -1.943 2.810 1.00 42.22 N ATOM 962 CA THR A 68 9.332 -1.154 1.711 1.00 63.31 C ATOM 963 C THR A 68 9.007 0.240 2.213 1.00 51.11 C ATOM 964 O THR A 68 8.087 0.421 2.999 1.00 43.33 O ATOM 965 CB THR A 68 8.105 -1.810 1.048 1.00 60.40 C ATOM 966 OG1 THR A 68 8.475 -3.118 0.588 1.00 3.54 O ATOM 967 CG2 THR A 68 7.594 -0.984 -0.134 1.00 42.44 C ATOM 0 H THR A 68 9.043 -2.189 3.476 1.00 42.22 H new ATOM 0 HA THR A 68 10.116 -1.086 0.957 1.00 63.31 H new ATOM 0 HB THR A 68 7.304 -1.870 1.785 1.00 60.40 H new ATOM 0 HG1 THR A 68 8.611 -3.709 1.358 1.00 3.54 H new ATOM 0 HG21 THR A 68 6.729 -1.478 -0.576 1.00 42.44 H new ATOM 0 HG22 THR A 68 7.307 0.009 0.213 1.00 42.44 H new ATOM 0 HG23 THR A 68 8.381 -0.894 -0.882 1.00 42.44 H new ATOM 975 N THR A 69 9.757 1.203 1.780 1.00 23.31 N ATOM 976 CA THR A 69 9.587 2.529 2.262 1.00 45.43 C ATOM 977 C THR A 69 8.898 3.374 1.213 1.00 61.23 C ATOM 978 O THR A 69 9.249 3.328 0.020 1.00 75.23 O ATOM 979 CB THR A 69 10.955 3.140 2.648 1.00 64.31 C ATOM 980 OG1 THR A 69 11.604 2.255 3.582 1.00 21.43 O ATOM 981 CG2 THR A 69 10.789 4.513 3.301 1.00 70.44 C ATOM 0 H THR A 69 10.498 1.090 1.088 1.00 23.31 H new ATOM 0 HA THR A 69 8.962 2.506 3.155 1.00 45.43 H new ATOM 0 HB THR A 69 11.550 3.262 1.743 1.00 64.31 H new ATOM 0 HG1 THR A 69 10.954 1.951 4.250 1.00 21.43 H new ATOM 0 HG21 THR A 69 11.769 4.914 3.560 1.00 70.44 H new ATOM 0 HG22 THR A 69 10.293 5.189 2.605 1.00 70.44 H new ATOM 0 HG23 THR A 69 10.187 4.416 4.204 1.00 70.44 H new ATOM 989 N ALA A 70 7.892 4.076 1.637 1.00 62.24 N ATOM 990 CA ALA A 70 7.176 4.974 0.803 1.00 32.32 C ATOM 991 C ALA A 70 7.607 6.375 1.153 1.00 74.53 C ATOM 992 O ALA A 70 7.655 6.740 2.336 1.00 54.02 O ATOM 993 CB ALA A 70 5.689 4.801 1.022 1.00 52.14 C ATOM 0 H ALA A 70 7.543 4.035 2.595 1.00 62.24 H new ATOM 0 HA ALA A 70 7.386 4.775 -0.248 1.00 32.32 H new ATOM 0 HB1 ALA A 70 5.144 5.492 0.380 1.00 52.14 H new ATOM 0 HB2 ALA A 70 5.402 3.778 0.780 1.00 52.14 H new ATOM 0 HB3 ALA A 70 5.448 5.008 2.065 1.00 52.14 H new ATOM 999 N GLY A 71 7.947 7.137 0.161 1.00 0.53 N ATOM 1000 CA GLY A 71 8.398 8.472 0.374 1.00 62.01 C ATOM 1001 C GLY A 71 8.503 9.206 -0.922 1.00 3.14 C ATOM 1002 O GLY A 71 7.677 9.011 -1.811 1.00 2.43 O ATOM 0 H GLY A 71 7.919 6.850 -0.817 1.00 0.53 H new ATOM 0 HA2 GLY A 71 7.708 8.993 1.038 1.00 62.01 H new ATOM 0 HA3 GLY A 71 9.369 8.459 0.870 1.00 62.01 H new ATOM 1006 N ARG A 72 9.521 10.008 -1.065 1.00 65.31 N ATOM 1007 CA ARG A 72 9.661 10.803 -2.254 1.00 12.52 C ATOM 1008 C ARG A 72 10.230 9.952 -3.381 1.00 75.13 C ATOM 1009 O ARG A 72 9.575 9.795 -4.418 1.00 41.14 O ATOM 1010 CB ARG A 72 10.516 12.036 -1.982 1.00 12.22 C ATOM 1011 CG ARG A 72 10.535 13.044 -3.119 1.00 2.01 C ATOM 1012 CD ARG A 72 11.272 14.315 -2.722 1.00 35.34 C ATOM 1013 NE ARG A 72 10.693 14.931 -1.509 1.00 43.01 N ATOM 1014 CZ ARG A 72 10.037 16.102 -1.473 1.00 24.13 C ATOM 1015 NH1 ARG A 72 9.818 16.789 -2.592 1.00 25.20 N ATOM 1016 NH2 ARG A 72 9.587 16.571 -0.317 1.00 25.01 N ATOM 0 H ARG A 72 10.264 10.129 -0.376 1.00 65.31 H new ATOM 0 HA ARG A 72 8.679 11.159 -2.565 1.00 12.52 H new ATOM 0 HB2 ARG A 72 10.148 12.528 -1.081 1.00 12.22 H new ATOM 0 HB3 ARG A 72 11.538 11.718 -1.777 1.00 12.22 H new ATOM 0 HG2 ARG A 72 11.015 12.601 -3.992 1.00 2.01 H new ATOM 0 HG3 ARG A 72 9.513 13.289 -3.407 1.00 2.01 H new ATOM 0 HD2 ARG A 72 12.323 14.086 -2.547 1.00 35.34 H new ATOM 0 HD3 ARG A 72 11.235 15.029 -3.545 1.00 35.34 H new ATOM 0 HE ARG A 72 10.800 14.426 -0.629 1.00 43.01 H new ATOM 0 HH11 ARG A 72 10.149 16.427 -3.486 1.00 25.20 H new ATOM 0 HH12 ARG A 72 9.319 17.678 -2.555 1.00 25.20 H new ATOM 0 HH21 ARG A 72 9.740 16.042 0.542 1.00 25.01 H new ATOM 0 HH22 ARG A 72 9.088 17.460 -0.287 1.00 25.01 H new ATOM 1030 N HIS A 73 11.429 9.393 -3.154 1.00 3.41 N ATOM 1031 CA HIS A 73 12.112 8.485 -4.108 1.00 45.03 C ATOM 1032 C HIS A 73 13.546 8.073 -3.645 1.00 3.22 C ATOM 1033 O HIS A 73 13.863 6.892 -3.681 1.00 62.34 O ATOM 1034 CB HIS A 73 12.176 9.033 -5.565 1.00 64.45 C ATOM 1035 CG HIS A 73 12.681 8.017 -6.565 1.00 30.33 C ATOM 1036 ND1 HIS A 73 12.136 6.839 -6.962 1.00 70.24 N flip ATOM 1037 CD2 HIS A 73 13.847 8.149 -7.280 1.00 30.12 C flip ATOM 1038 CE1 HIS A 73 12.959 6.248 -7.914 1.00 21.20 C flip ATOM 1039 NE2 HIS A 73 13.976 7.081 -8.070 1.00 53.13 N flip ATOM 0 H HIS A 73 11.961 9.555 -2.299 1.00 3.41 H new ATOM 0 HA HIS A 73 11.480 7.597 -4.113 1.00 45.03 H new ATOM 0 HB2 HIS A 73 11.182 9.365 -5.865 1.00 64.45 H new ATOM 0 HB3 HIS A 73 12.825 9.909 -5.588 1.00 64.45 H new ATOM 0 HD2 HIS A 73 14.540 8.975 -7.214 1.00 30.12 H new ATOM 0 HE1 HIS A 73 12.802 5.307 -8.420 1.00 21.20 H new ATOM 0 HE2 HIS A 73 14.755 6.927 -8.710 1.00 53.13 H new ATOM 1047 N PRO A 74 14.443 9.027 -3.197 1.00 14.13 N ATOM 1048 CA PRO A 74 15.851 8.689 -2.857 1.00 4.40 C ATOM 1049 C PRO A 74 15.993 7.611 -1.781 1.00 3.00 C ATOM 1050 O PRO A 74 16.977 6.879 -1.755 1.00 41.35 O ATOM 1051 CB PRO A 74 16.437 10.014 -2.350 1.00 34.30 C ATOM 1052 CG PRO A 74 15.576 11.063 -2.950 1.00 55.44 C ATOM 1053 CD PRO A 74 14.198 10.480 -3.001 1.00 24.32 C ATOM 0 HA PRO A 74 16.360 8.273 -3.726 1.00 4.40 H new ATOM 0 HB2 PRO A 74 16.420 10.063 -1.261 1.00 34.30 H new ATOM 0 HB3 PRO A 74 17.476 10.131 -2.658 1.00 34.30 H new ATOM 0 HG2 PRO A 74 15.593 11.973 -2.351 1.00 55.44 H new ATOM 0 HG3 PRO A 74 15.924 11.331 -3.947 1.00 55.44 H new ATOM 0 HD2 PRO A 74 13.646 10.673 -2.081 1.00 24.32 H new ATOM 0 HD3 PRO A 74 13.613 10.902 -3.818 1.00 24.32 H new ATOM 1061 N GLU A 75 15.015 7.515 -0.912 1.00 34.52 N ATOM 1062 CA GLU A 75 15.056 6.563 0.182 1.00 41.21 C ATOM 1063 C GLU A 75 13.815 5.693 0.149 1.00 35.44 C ATOM 1064 O GLU A 75 13.369 5.182 1.182 1.00 62.54 O ATOM 1065 CB GLU A 75 15.067 7.330 1.490 1.00 10.41 C ATOM 1066 CG GLU A 75 16.169 8.354 1.604 1.00 11.32 C ATOM 1067 CD GLU A 75 16.067 9.125 2.873 1.00 63.12 C ATOM 1068 OE1 GLU A 75 15.081 9.864 3.064 1.00 70.12 O ATOM 1069 OE2 GLU A 75 16.944 8.979 3.742 1.00 70.34 O ATOM 0 H GLU A 75 14.172 8.089 -0.939 1.00 34.52 H new ATOM 0 HA GLU A 75 15.946 5.940 0.090 1.00 41.21 H new ATOM 0 HB2 GLU A 75 14.107 7.832 1.610 1.00 10.41 H new ATOM 0 HB3 GLU A 75 15.161 6.621 2.312 1.00 10.41 H new ATOM 0 HG2 GLU A 75 17.137 7.855 1.557 1.00 11.32 H new ATOM 0 HG3 GLU A 75 16.121 9.038 0.757 1.00 11.32 H new ATOM 1076 N SER A 76 13.245 5.529 -1.011 1.00 15.15 N ATOM 1077 CA SER A 76 12.013 4.802 -1.140 1.00 51.01 C ATOM 1078 C SER A 76 11.985 4.027 -2.447 1.00 64.23 C ATOM 1079 O SER A 76 12.461 4.520 -3.475 1.00 22.25 O ATOM 1080 CB SER A 76 10.862 5.802 -1.084 1.00 42.23 C ATOM 1081 OG SER A 76 10.963 6.592 0.105 1.00 13.12 O ATOM 0 H SER A 76 13.617 5.892 -1.888 1.00 15.15 H new ATOM 0 HA SER A 76 11.919 4.081 -0.328 1.00 51.01 H new ATOM 0 HB2 SER A 76 10.885 6.446 -1.963 1.00 42.23 H new ATOM 0 HB3 SER A 76 9.908 5.274 -1.101 1.00 42.23 H new ATOM 0 HG SER A 76 11.051 7.538 -0.137 1.00 13.12 H new ATOM 1087 N ASP A 77 11.460 2.810 -2.413 1.00 23.10 N ATOM 1088 CA ASP A 77 11.376 2.015 -3.629 1.00 65.32 C ATOM 1089 C ASP A 77 10.361 2.616 -4.585 1.00 22.40 C ATOM 1090 O ASP A 77 10.605 2.729 -5.798 1.00 42.01 O ATOM 1091 CB ASP A 77 11.039 0.544 -3.362 1.00 20.32 C ATOM 1092 CG ASP A 77 10.968 -0.260 -4.654 1.00 11.23 C ATOM 1093 OD1 ASP A 77 12.037 -0.530 -5.272 1.00 60.54 O ATOM 1094 OD2 ASP A 77 9.866 -0.601 -5.100 1.00 24.25 O ATOM 0 H ASP A 77 11.093 2.359 -1.575 1.00 23.10 H new ATOM 0 HA ASP A 77 12.367 2.036 -4.083 1.00 65.32 H new ATOM 0 HB2 ASP A 77 11.793 0.111 -2.705 1.00 20.32 H new ATOM 0 HB3 ASP A 77 10.085 0.478 -2.839 1.00 20.32 H new ATOM 1099 N ILE A 78 9.252 3.030 -4.029 1.00 52.44 N ATOM 1100 CA ILE A 78 8.194 3.646 -4.784 1.00 71.42 C ATOM 1101 C ILE A 78 8.247 5.155 -4.614 1.00 51.42 C ATOM 1102 O ILE A 78 8.614 5.656 -3.540 1.00 3.21 O ATOM 1103 CB ILE A 78 6.790 3.102 -4.377 1.00 11.42 C ATOM 1104 CG1 ILE A 78 6.585 3.172 -2.846 1.00 71.31 C ATOM 1105 CG2 ILE A 78 6.592 1.681 -4.895 1.00 71.35 C ATOM 1106 CD1 ILE A 78 5.210 2.721 -2.381 1.00 33.42 C ATOM 0 H ILE A 78 9.057 2.948 -3.031 1.00 52.44 H new ATOM 0 HA ILE A 78 8.346 3.393 -5.833 1.00 71.42 H new ATOM 0 HB ILE A 78 6.035 3.738 -4.838 1.00 11.42 H new ATOM 0 HG12 ILE A 78 7.341 2.555 -2.361 1.00 71.31 H new ATOM 0 HG13 ILE A 78 6.750 4.197 -2.515 1.00 71.31 H new ATOM 0 HG21 ILE A 78 5.607 1.320 -4.600 1.00 71.35 H new ATOM 0 HG22 ILE A 78 6.670 1.676 -5.982 1.00 71.35 H new ATOM 0 HG23 ILE A 78 7.358 1.030 -4.473 1.00 71.35 H new ATOM 0 HD11 ILE A 78 5.149 2.801 -1.296 1.00 33.42 H new ATOM 0 HD12 ILE A 78 4.447 3.353 -2.835 1.00 33.42 H new ATOM 0 HD13 ILE A 78 5.047 1.685 -2.678 1.00 33.42 H new ATOM 1118 N PHE A 79 7.923 5.867 -5.665 1.00 23.13 N ATOM 1119 CA PHE A 79 7.923 7.313 -5.641 1.00 0.55 C ATOM 1120 C PHE A 79 6.507 7.828 -5.475 1.00 50.14 C ATOM 1121 O PHE A 79 5.631 7.550 -6.290 1.00 13.32 O ATOM 1122 CB PHE A 79 8.611 7.909 -6.903 1.00 53.21 C ATOM 1123 CG PHE A 79 8.038 7.483 -8.243 1.00 14.23 C ATOM 1124 CD1 PHE A 79 8.401 6.274 -8.818 1.00 35.34 C ATOM 1125 CD2 PHE A 79 7.151 8.302 -8.929 1.00 42.12 C ATOM 1126 CE1 PHE A 79 7.889 5.891 -10.042 1.00 11.43 C ATOM 1127 CE2 PHE A 79 6.638 7.921 -10.152 1.00 75.23 C ATOM 1128 CZ PHE A 79 7.007 6.714 -10.708 1.00 45.42 C ATOM 0 H PHE A 79 7.652 5.463 -6.562 1.00 23.13 H new ATOM 0 HA PHE A 79 8.510 7.644 -4.784 1.00 0.55 H new ATOM 0 HB2 PHE A 79 8.561 8.996 -6.839 1.00 53.21 H new ATOM 0 HB3 PHE A 79 9.666 7.636 -6.879 1.00 53.21 H new ATOM 0 HD1 PHE A 79 9.092 5.624 -8.302 1.00 35.34 H new ATOM 0 HD2 PHE A 79 6.859 9.249 -8.500 1.00 42.12 H new ATOM 0 HE1 PHE A 79 8.180 4.946 -10.477 1.00 11.43 H new ATOM 0 HE2 PHE A 79 5.948 8.568 -10.674 1.00 75.23 H new ATOM 0 HZ PHE A 79 6.605 6.414 -11.665 1.00 45.42 H new ATOM 1138 N LEU A 80 6.264 8.515 -4.403 1.00 54.50 N ATOM 1139 CA LEU A 80 4.954 9.011 -4.129 1.00 20.51 C ATOM 1140 C LEU A 80 4.808 10.454 -4.519 1.00 53.03 C ATOM 1141 O LEU A 80 5.579 11.312 -4.074 1.00 54.55 O ATOM 1142 CB LEU A 80 4.561 8.856 -2.641 1.00 3.32 C ATOM 1143 CG LEU A 80 4.277 7.443 -2.090 1.00 65.22 C ATOM 1144 CD1 LEU A 80 5.487 6.544 -2.160 1.00 40.03 C ATOM 1145 CD2 LEU A 80 3.766 7.534 -0.662 1.00 72.23 C ATOM 0 H LEU A 80 6.964 8.746 -3.698 1.00 54.50 H new ATOM 0 HA LEU A 80 4.282 8.402 -4.734 1.00 20.51 H new ATOM 0 HB2 LEU A 80 5.362 9.289 -2.041 1.00 3.32 H new ATOM 0 HB3 LEU A 80 3.671 9.462 -2.470 1.00 3.32 H new ATOM 0 HG LEU A 80 3.511 6.995 -2.723 1.00 65.22 H new ATOM 0 HD11 LEU A 80 5.234 5.562 -1.760 1.00 40.03 H new ATOM 0 HD12 LEU A 80 5.805 6.443 -3.198 1.00 40.03 H new ATOM 0 HD13 LEU A 80 6.297 6.977 -1.573 1.00 40.03 H new ATOM 0 HD21 LEU A 80 3.568 6.532 -0.282 1.00 72.23 H new ATOM 0 HD22 LEU A 80 4.517 8.018 -0.037 1.00 72.23 H new ATOM 0 HD23 LEU A 80 2.846 8.118 -0.641 1.00 72.23 H new ATOM 1157 N ASP A 81 3.856 10.723 -5.369 1.00 14.44 N ATOM 1158 CA ASP A 81 3.467 12.086 -5.625 1.00 3.12 C ATOM 1159 C ASP A 81 2.222 12.324 -4.807 1.00 72.13 C ATOM 1160 O ASP A 81 1.101 12.264 -5.295 1.00 4.52 O ATOM 1161 CB ASP A 81 3.239 12.395 -7.123 1.00 2.33 C ATOM 1162 CG ASP A 81 2.923 13.869 -7.390 1.00 63.43 C ATOM 1163 OD1 ASP A 81 3.876 14.691 -7.489 1.00 1.03 O ATOM 1164 OD2 ASP A 81 1.736 14.236 -7.542 1.00 1.01 O ATOM 0 H ASP A 81 3.336 10.021 -5.895 1.00 14.44 H new ATOM 0 HA ASP A 81 4.273 12.762 -5.340 1.00 3.12 H new ATOM 0 HB2 ASP A 81 4.129 12.112 -7.686 1.00 2.33 H new ATOM 0 HB3 ASP A 81 2.419 11.781 -7.494 1.00 2.33 H new ATOM 1169 N ASP A 82 2.441 12.445 -3.520 1.00 72.43 N ATOM 1170 CA ASP A 82 1.374 12.624 -2.540 1.00 54.31 C ATOM 1171 C ASP A 82 0.989 14.105 -2.536 1.00 44.44 C ATOM 1172 O ASP A 82 1.511 14.886 -3.342 1.00 41.00 O ATOM 1173 CB ASP A 82 1.895 12.180 -1.140 1.00 1.21 C ATOM 1174 CG ASP A 82 0.824 12.053 -0.048 1.00 45.31 C ATOM 1175 OD1 ASP A 82 0.433 13.087 0.538 1.00 60.25 O ATOM 1176 OD2 ASP A 82 0.391 10.915 0.251 1.00 64.12 O ATOM 0 H ASP A 82 3.374 12.423 -3.109 1.00 72.43 H new ATOM 0 HA ASP A 82 0.500 12.022 -2.787 1.00 54.31 H new ATOM 0 HB2 ASP A 82 2.397 11.218 -1.246 1.00 1.21 H new ATOM 0 HB3 ASP A 82 2.646 12.896 -0.807 1.00 1.21 H new ATOM 1181 N VAL A 83 0.113 14.503 -1.678 1.00 72.34 N ATOM 1182 CA VAL A 83 -0.260 15.876 -1.604 1.00 21.53 C ATOM 1183 C VAL A 83 0.692 16.579 -0.626 1.00 53.23 C ATOM 1184 O VAL A 83 0.906 17.797 -0.696 1.00 23.34 O ATOM 1185 CB VAL A 83 -1.767 16.072 -1.214 1.00 12.10 C ATOM 1186 CG1 VAL A 83 -2.084 15.552 0.176 1.00 44.52 C ATOM 1187 CG2 VAL A 83 -2.194 17.524 -1.367 1.00 53.11 C ATOM 0 H VAL A 83 -0.362 13.893 -1.013 1.00 72.34 H new ATOM 0 HA VAL A 83 -0.167 16.327 -2.592 1.00 21.53 H new ATOM 0 HB VAL A 83 -2.348 15.471 -1.913 1.00 12.10 H new ATOM 0 HG11 VAL A 83 -3.140 15.714 0.393 1.00 44.52 H new ATOM 0 HG12 VAL A 83 -1.862 14.486 0.225 1.00 44.52 H new ATOM 0 HG13 VAL A 83 -1.478 16.083 0.910 1.00 44.52 H new ATOM 0 HG21 VAL A 83 -3.243 17.626 -1.089 1.00 53.11 H new ATOM 0 HG22 VAL A 83 -1.584 18.153 -0.719 1.00 53.11 H new ATOM 0 HG23 VAL A 83 -2.061 17.835 -2.403 1.00 53.11 H new ATOM 1197 N THR A 84 1.281 15.800 0.277 1.00 52.43 N ATOM 1198 CA THR A 84 2.266 16.309 1.209 1.00 52.30 C ATOM 1199 C THR A 84 3.210 15.168 1.660 1.00 3.43 C ATOM 1200 O THR A 84 2.978 14.512 2.685 1.00 53.24 O ATOM 1201 CB THR A 84 1.609 16.977 2.450 1.00 73.22 C ATOM 1202 OG1 THR A 84 0.590 17.901 2.020 1.00 74.22 O ATOM 1203 CG2 THR A 84 2.649 17.753 3.240 1.00 24.25 C ATOM 0 H THR A 84 1.086 14.804 0.378 1.00 52.43 H new ATOM 0 HA THR A 84 2.840 17.076 0.690 1.00 52.30 H new ATOM 0 HB THR A 84 1.176 16.195 3.074 1.00 73.22 H new ATOM 0 HG1 THR A 84 0.176 18.320 2.804 1.00 74.22 H new ATOM 0 HG21 THR A 84 2.177 18.216 4.106 1.00 24.25 H new ATOM 0 HG22 THR A 84 3.433 17.074 3.574 1.00 24.25 H new ATOM 0 HG23 THR A 84 3.084 18.527 2.607 1.00 24.25 H new ATOM 1211 N VAL A 85 4.231 14.917 0.865 1.00 42.32 N ATOM 1212 CA VAL A 85 5.195 13.858 1.136 1.00 64.25 C ATOM 1213 C VAL A 85 6.537 14.465 1.555 1.00 63.41 C ATOM 1214 O VAL A 85 6.987 15.448 0.970 1.00 60.41 O ATOM 1215 CB VAL A 85 5.374 12.905 -0.102 1.00 30.23 C ATOM 1216 CG1 VAL A 85 5.807 13.657 -1.360 1.00 13.25 C ATOM 1217 CG2 VAL A 85 6.345 11.774 0.205 1.00 71.42 C ATOM 0 H VAL A 85 4.420 15.440 0.010 1.00 42.32 H new ATOM 0 HA VAL A 85 4.810 13.252 1.956 1.00 64.25 H new ATOM 0 HB VAL A 85 4.393 12.474 -0.303 1.00 30.23 H new ATOM 0 HG11 VAL A 85 5.916 12.953 -2.185 1.00 13.25 H new ATOM 0 HG12 VAL A 85 5.054 14.402 -1.616 1.00 13.25 H new ATOM 0 HG13 VAL A 85 6.760 14.153 -1.177 1.00 13.25 H new ATOM 0 HG21 VAL A 85 6.446 11.134 -0.671 1.00 71.42 H new ATOM 0 HG22 VAL A 85 7.318 12.190 0.465 1.00 71.42 H new ATOM 0 HG23 VAL A 85 5.967 11.187 1.042 1.00 71.42 H new ATOM 1227 N SER A 86 7.147 13.910 2.572 1.00 55.54 N ATOM 1228 CA SER A 86 8.397 14.425 3.071 1.00 13.01 C ATOM 1229 C SER A 86 9.604 13.749 2.387 1.00 25.45 C ATOM 1230 O SER A 86 10.167 14.262 1.409 1.00 54.22 O ATOM 1231 CB SER A 86 8.439 14.231 4.593 1.00 73.43 C ATOM 1232 OG SER A 86 8.124 12.871 4.929 1.00 20.02 O ATOM 0 H SER A 86 6.795 13.095 3.074 1.00 55.54 H new ATOM 0 HA SER A 86 8.464 15.488 2.838 1.00 13.01 H new ATOM 0 HB2 SER A 86 9.428 14.487 4.972 1.00 73.43 H new ATOM 0 HB3 SER A 86 7.729 14.905 5.072 1.00 73.43 H new ATOM 0 HG SER A 86 7.556 12.854 5.728 1.00 20.02 H new ATOM 1238 N ARG A 87 9.937 12.584 2.891 1.00 12.53 N ATOM 1239 CA ARG A 87 11.044 11.759 2.435 1.00 53.25 C ATOM 1240 C ARG A 87 10.836 10.351 2.957 1.00 64.01 C ATOM 1241 O ARG A 87 11.164 9.372 2.295 1.00 1.35 O ATOM 1242 CB ARG A 87 12.423 12.330 2.871 1.00 21.23 C ATOM 1243 CG ARG A 87 12.594 12.572 4.367 1.00 22.22 C ATOM 1244 CD ARG A 87 13.969 13.151 4.694 1.00 72.31 C ATOM 1245 NE ARG A 87 15.083 12.213 4.438 1.00 1.33 N ATOM 1246 CZ ARG A 87 16.365 12.448 4.771 1.00 72.22 C ATOM 1247 NH1 ARG A 87 16.706 13.576 5.362 1.00 32.13 N ATOM 1248 NH2 ARG A 87 17.294 11.543 4.533 1.00 53.33 N ATOM 0 H ARG A 87 9.424 12.162 3.665 1.00 12.53 H new ATOM 0 HA ARG A 87 11.058 11.752 1.345 1.00 53.25 H new ATOM 0 HB2 ARG A 87 13.201 11.642 2.541 1.00 21.23 H new ATOM 0 HB3 ARG A 87 12.588 13.272 2.348 1.00 21.23 H new ATOM 0 HG2 ARG A 87 11.820 13.255 4.716 1.00 22.22 H new ATOM 0 HG3 ARG A 87 12.457 11.634 4.905 1.00 22.22 H new ATOM 0 HD2 ARG A 87 14.123 14.054 4.104 1.00 72.31 H new ATOM 0 HD3 ARG A 87 13.989 13.448 5.743 1.00 72.31 H new ATOM 0 HE ARG A 87 14.865 11.329 3.978 1.00 1.33 H new ATOM 0 HH11 ARG A 87 15.996 14.278 5.570 1.00 32.13 H new ATOM 0 HH12 ARG A 87 17.680 13.747 5.611 1.00 32.13 H new ATOM 0 HH21 ARG A 87 17.043 10.658 4.094 1.00 53.33 H new ATOM 0 HH22 ARG A 87 18.264 11.728 4.788 1.00 53.33 H new ATOM 1262 N ARG A 88 10.264 10.275 4.143 1.00 4.11 N ATOM 1263 CA ARG A 88 9.867 9.039 4.767 1.00 23.42 C ATOM 1264 C ARG A 88 8.406 9.221 5.102 1.00 54.31 C ATOM 1265 O ARG A 88 8.079 9.927 6.034 1.00 60.32 O ATOM 1266 CB ARG A 88 10.666 8.795 6.064 1.00 5.03 C ATOM 1267 CG ARG A 88 12.179 8.751 5.899 1.00 45.22 C ATOM 1268 CD ARG A 88 12.629 7.584 5.042 1.00 54.42 C ATOM 1269 NE ARG A 88 14.083 7.583 4.860 1.00 53.22 N ATOM 1270 CZ ARG A 88 14.906 6.553 5.140 1.00 61.34 C ATOM 1271 NH1 ARG A 88 14.455 5.464 5.749 1.00 11.30 N ATOM 1272 NH2 ARG A 88 16.193 6.649 4.844 1.00 71.31 N ATOM 0 H ARG A 88 10.059 11.097 4.711 1.00 4.11 H new ATOM 0 HA ARG A 88 10.048 8.186 4.113 1.00 23.42 H new ATOM 0 HB2 ARG A 88 10.418 9.581 6.777 1.00 5.03 H new ATOM 0 HB3 ARG A 88 10.337 7.852 6.501 1.00 5.03 H new ATOM 0 HG2 ARG A 88 12.521 9.683 5.449 1.00 45.22 H new ATOM 0 HG3 ARG A 88 12.648 8.681 6.881 1.00 45.22 H new ATOM 0 HD2 ARG A 88 12.318 6.648 5.507 1.00 54.42 H new ATOM 0 HD3 ARG A 88 12.139 7.635 4.070 1.00 54.42 H new ATOM 0 HE ARG A 88 14.508 8.433 4.490 1.00 53.22 H new ATOM 0 HH11 ARG A 88 13.472 5.397 6.013 1.00 11.30 H new ATOM 0 HH12 ARG A 88 15.091 4.694 5.954 1.00 11.30 H new ATOM 0 HH21 ARG A 88 16.554 7.497 4.408 1.00 71.31 H new ATOM 0 HH22 ARG A 88 16.823 5.875 5.052 1.00 71.31 H new ATOM 1286 N HIS A 89 7.545 8.666 4.304 1.00 13.14 N ATOM 1287 CA HIS A 89 6.123 8.898 4.456 1.00 23.31 C ATOM 1288 C HIS A 89 5.529 7.761 5.275 1.00 2.44 C ATOM 1289 O HIS A 89 5.041 7.963 6.392 1.00 14.34 O ATOM 1290 CB HIS A 89 5.492 8.978 3.050 1.00 30.33 C ATOM 1291 CG HIS A 89 4.162 9.678 2.940 1.00 50.24 C ATOM 1292 ND1 HIS A 89 4.105 11.045 2.850 1.00 41.33 N ATOM 1293 CD2 HIS A 89 2.911 9.171 2.796 1.00 41.31 C ATOM 1294 CE1 HIS A 89 2.841 11.345 2.639 1.00 12.35 C ATOM 1295 NE2 HIS A 89 2.072 10.252 2.595 1.00 52.34 N ATOM 0 H HIS A 89 7.794 8.045 3.534 1.00 13.14 H new ATOM 0 HA HIS A 89 5.924 9.833 4.979 1.00 23.31 H new ATOM 0 HB2 HIS A 89 6.197 9.483 2.390 1.00 30.33 H new ATOM 0 HB3 HIS A 89 5.373 7.962 2.673 1.00 30.33 H new ATOM 0 HD2 HIS A 89 2.627 8.130 2.831 1.00 41.31 H new ATOM 0 HE1 HIS A 89 2.470 12.352 2.516 1.00 12.35 H new ATOM 0 HE2 HIS A 89 1.064 10.221 2.443 1.00 52.34 H new ATOM 1303 N ALA A 90 5.652 6.560 4.758 1.00 40.21 N ATOM 1304 CA ALA A 90 5.118 5.394 5.411 1.00 22.12 C ATOM 1305 C ALA A 90 6.018 4.205 5.166 1.00 32.11 C ATOM 1306 O ALA A 90 6.627 4.084 4.100 1.00 64.22 O ATOM 1307 CB ALA A 90 3.705 5.100 4.917 1.00 45.21 C ATOM 0 H ALA A 90 6.124 6.367 3.875 1.00 40.21 H new ATOM 0 HA ALA A 90 5.072 5.587 6.483 1.00 22.12 H new ATOM 0 HB1 ALA A 90 3.319 4.215 5.423 1.00 45.21 H new ATOM 0 HB2 ALA A 90 3.060 5.951 5.133 1.00 45.21 H new ATOM 0 HB3 ALA A 90 3.725 4.923 3.842 1.00 45.21 H new ATOM 1313 N GLU A 91 6.125 3.373 6.148 1.00 52.41 N ATOM 1314 CA GLU A 91 6.882 2.160 6.073 1.00 63.02 C ATOM 1315 C GLU A 91 5.945 1.005 5.935 1.00 1.00 C ATOM 1316 O GLU A 91 4.998 0.851 6.730 1.00 10.30 O ATOM 1317 CB GLU A 91 7.694 1.966 7.348 1.00 33.41 C ATOM 1318 CG GLU A 91 8.860 2.898 7.493 1.00 71.53 C ATOM 1319 CD GLU A 91 10.060 2.485 6.688 1.00 13.21 C ATOM 1320 OE1 GLU A 91 9.922 2.074 5.535 1.00 15.23 O ATOM 1321 OE2 GLU A 91 11.183 2.543 7.238 1.00 34.03 O ATOM 0 H GLU A 91 5.677 3.519 7.052 1.00 52.41 H new ATOM 0 HA GLU A 91 7.553 2.217 5.216 1.00 63.02 H new ATOM 0 HB2 GLU A 91 7.034 2.094 8.206 1.00 33.41 H new ATOM 0 HB3 GLU A 91 8.060 0.940 7.377 1.00 33.41 H new ATOM 0 HG2 GLU A 91 8.555 3.899 7.189 1.00 71.53 H new ATOM 0 HG3 GLU A 91 9.140 2.956 8.545 1.00 71.53 H new ATOM 1328 N PHE A 92 6.189 0.210 4.960 1.00 74.14 N ATOM 1329 CA PHE A 92 5.460 -0.986 4.766 1.00 14.01 C ATOM 1330 C PHE A 92 6.349 -2.120 5.199 1.00 43.11 C ATOM 1331 O PHE A 92 7.404 -2.389 4.601 1.00 53.43 O ATOM 1332 CB PHE A 92 5.019 -1.137 3.302 1.00 60.34 C ATOM 1333 CG PHE A 92 4.000 -0.120 2.861 1.00 12.04 C ATOM 1334 CD1 PHE A 92 4.390 1.109 2.352 1.00 63.13 C ATOM 1335 CD2 PHE A 92 2.648 -0.397 2.958 1.00 74.34 C ATOM 1336 CE1 PHE A 92 3.446 2.035 1.953 1.00 13.43 C ATOM 1337 CE2 PHE A 92 1.706 0.524 2.561 1.00 0.23 C ATOM 1338 CZ PHE A 92 2.104 1.742 2.058 1.00 54.15 C ATOM 0 H PHE A 92 6.914 0.376 4.262 1.00 74.14 H new ATOM 0 HA PHE A 92 4.544 -0.979 5.356 1.00 14.01 H new ATOM 0 HB2 PHE A 92 5.896 -1.060 2.659 1.00 60.34 H new ATOM 0 HB3 PHE A 92 4.606 -2.136 3.159 1.00 60.34 H new ATOM 0 HD1 PHE A 92 5.441 1.344 2.267 1.00 63.13 H new ATOM 0 HD2 PHE A 92 2.327 -1.350 3.351 1.00 74.34 H new ATOM 0 HE1 PHE A 92 3.760 2.990 1.558 1.00 13.43 H new ATOM 0 HE2 PHE A 92 0.655 0.291 2.644 1.00 0.23 H new ATOM 0 HZ PHE A 92 1.366 2.466 1.746 1.00 54.15 H new ATOM 1348 N ARG A 93 5.954 -2.734 6.261 1.00 31.31 N ATOM 1349 CA ARG A 93 6.684 -3.800 6.867 1.00 43.54 C ATOM 1350 C ARG A 93 6.038 -5.099 6.568 1.00 71.31 C ATOM 1351 O ARG A 93 4.859 -5.296 6.857 1.00 71.54 O ATOM 1352 CB ARG A 93 6.735 -3.622 8.395 1.00 15.23 C ATOM 1353 CG ARG A 93 7.967 -2.923 8.942 1.00 54.44 C ATOM 1354 CD ARG A 93 8.226 -1.582 8.293 1.00 53.33 C ATOM 1355 NE ARG A 93 9.475 -0.988 8.775 1.00 74.22 N ATOM 1356 CZ ARG A 93 10.704 -1.376 8.393 1.00 41.21 C ATOM 1357 NH1 ARG A 93 10.865 -2.460 7.627 1.00 60.43 N ATOM 1358 NH2 ARG A 93 11.768 -0.701 8.808 1.00 12.23 N ATOM 0 H ARG A 93 5.088 -2.503 6.748 1.00 31.31 H new ATOM 0 HA ARG A 93 7.696 -3.784 6.462 1.00 43.54 H new ATOM 0 HB2 ARG A 93 5.854 -3.059 8.705 1.00 15.23 H new ATOM 0 HB3 ARG A 93 6.664 -4.606 8.858 1.00 15.23 H new ATOM 0 HG2 ARG A 93 7.851 -2.783 10.017 1.00 54.44 H new ATOM 0 HG3 ARG A 93 8.836 -3.564 8.796 1.00 54.44 H new ATOM 0 HD2 ARG A 93 8.273 -1.703 7.211 1.00 53.33 H new ATOM 0 HD3 ARG A 93 7.396 -0.908 8.503 1.00 53.33 H new ATOM 0 HE ARG A 93 9.407 -0.225 9.449 1.00 74.22 H new ATOM 0 HH11 ARG A 93 10.052 -2.999 7.328 1.00 60.43 H new ATOM 0 HH12 ARG A 93 11.801 -2.748 7.341 1.00 60.43 H new ATOM 0 HH21 ARG A 93 11.652 0.110 9.415 1.00 12.23 H new ATOM 0 HH22 ARG A 93 12.702 -0.993 8.520 1.00 12.23 H new ATOM 1372 N ILE A 94 6.763 -5.964 5.975 1.00 31.42 N ATOM 1373 CA ILE A 94 6.287 -7.282 5.827 1.00 4.31 C ATOM 1374 C ILE A 94 7.240 -8.158 6.605 1.00 20.23 C ATOM 1375 O ILE A 94 8.454 -8.187 6.362 1.00 73.21 O ATOM 1376 CB ILE A 94 6.059 -7.717 4.308 1.00 12.30 C ATOM 1377 CG1 ILE A 94 5.307 -9.073 4.151 1.00 43.41 C ATOM 1378 CG2 ILE A 94 7.329 -7.723 3.496 1.00 54.31 C ATOM 1379 CD1 ILE A 94 6.060 -10.324 4.572 1.00 2.22 C ATOM 0 H ILE A 94 7.688 -5.785 5.584 1.00 31.42 H new ATOM 0 HA ILE A 94 5.280 -7.383 6.231 1.00 4.31 H new ATOM 0 HB ILE A 94 5.410 -6.940 3.905 1.00 12.30 H new ATOM 0 HG12 ILE A 94 4.385 -9.020 4.730 1.00 43.41 H new ATOM 0 HG13 ILE A 94 5.021 -9.184 3.105 1.00 43.41 H new ATOM 0 HG21 ILE A 94 7.106 -8.027 2.473 1.00 54.31 H new ATOM 0 HG22 ILE A 94 7.762 -6.723 3.491 1.00 54.31 H new ATOM 0 HG23 ILE A 94 8.039 -8.423 3.936 1.00 54.31 H new ATOM 0 HD11 ILE A 94 5.429 -11.199 4.414 1.00 2.22 H new ATOM 0 HD12 ILE A 94 6.968 -10.419 3.977 1.00 2.22 H new ATOM 0 HD13 ILE A 94 6.323 -10.252 5.627 1.00 2.22 H new ATOM 1391 N ASN A 95 6.705 -8.755 7.598 1.00 61.30 N ATOM 1392 CA ASN A 95 7.410 -9.609 8.487 1.00 20.22 C ATOM 1393 C ASN A 95 6.851 -10.976 8.287 1.00 25.10 C ATOM 1394 O ASN A 95 5.701 -11.091 7.889 1.00 54.31 O ATOM 1395 CB ASN A 95 7.256 -9.143 9.955 1.00 5.44 C ATOM 1396 CG ASN A 95 8.064 -9.983 10.939 1.00 11.45 C ATOM 1397 OD1 ASN A 95 9.111 -10.531 10.599 1.00 72.32 O ATOM 1398 ND2 ASN A 95 7.610 -10.066 12.156 1.00 31.05 N ATOM 0 H ASN A 95 5.716 -8.661 7.830 1.00 61.30 H new ATOM 0 HA ASN A 95 8.480 -9.593 8.280 1.00 20.22 H new ATOM 0 HB2 ASN A 95 7.569 -8.102 10.034 1.00 5.44 H new ATOM 0 HB3 ASN A 95 6.203 -9.182 10.233 1.00 5.44 H new ATOM 0 HD21 ASN A 95 8.126 -10.597 12.858 1.00 31.05 H new ATOM 0 HD22 ASN A 95 6.738 -9.600 12.408 1.00 31.05 H new ATOM 1405 N GLU A 96 7.678 -11.980 8.456 1.00 42.33 N ATOM 1406 CA GLU A 96 7.365 -13.437 8.304 1.00 25.23 C ATOM 1407 C GLU A 96 6.118 -13.948 9.125 1.00 72.31 C ATOM 1408 O GLU A 96 5.996 -15.132 9.379 1.00 15.22 O ATOM 1409 CB GLU A 96 8.604 -14.196 8.763 1.00 21.50 C ATOM 1410 CG GLU A 96 9.041 -13.797 10.169 1.00 44.22 C ATOM 1411 CD GLU A 96 10.311 -14.446 10.603 1.00 10.03 C ATOM 1412 OE1 GLU A 96 11.394 -14.005 10.161 1.00 71.43 O ATOM 1413 OE2 GLU A 96 10.258 -15.393 11.396 1.00 44.12 O ATOM 0 H GLU A 96 8.651 -11.825 8.719 1.00 42.33 H new ATOM 0 HA GLU A 96 7.103 -13.608 7.260 1.00 25.23 H new ATOM 0 HB2 GLU A 96 8.401 -15.267 8.738 1.00 21.50 H new ATOM 0 HB3 GLU A 96 9.420 -14.010 8.065 1.00 21.50 H new ATOM 0 HG2 GLU A 96 9.163 -12.715 10.210 1.00 44.22 H new ATOM 0 HG3 GLU A 96 8.251 -14.055 10.874 1.00 44.22 H new ATOM 1420 N GLY A 97 5.207 -13.069 9.442 1.00 63.42 N ATOM 1421 CA GLY A 97 4.048 -13.378 10.213 1.00 55.24 C ATOM 1422 C GLY A 97 3.063 -12.226 10.159 1.00 13.41 C ATOM 1423 O GLY A 97 1.861 -12.421 9.940 1.00 62.43 O ATOM 0 H GLY A 97 5.258 -12.090 9.159 1.00 63.42 H new ATOM 0 HA2 GLY A 97 3.579 -14.285 9.832 1.00 55.24 H new ATOM 0 HA3 GLY A 97 4.332 -13.576 11.247 1.00 55.24 H new ATOM 1427 N GLU A 98 3.594 -11.007 10.297 1.00 12.14 N ATOM 1428 CA GLU A 98 2.770 -9.809 10.359 1.00 73.43 C ATOM 1429 C GLU A 98 3.076 -8.824 9.257 1.00 44.23 C ATOM 1430 O GLU A 98 4.219 -8.649 8.853 1.00 73.03 O ATOM 1431 CB GLU A 98 2.911 -9.099 11.708 1.00 54.02 C ATOM 1432 CG GLU A 98 2.334 -9.865 12.878 1.00 13.11 C ATOM 1433 CD GLU A 98 2.655 -9.242 14.207 1.00 43.23 C ATOM 1434 OE1 GLU A 98 3.746 -9.536 14.747 1.00 50.41 O ATOM 1435 OE2 GLU A 98 1.829 -8.471 14.753 1.00 12.34 O ATOM 0 H GLU A 98 4.596 -10.830 10.368 1.00 12.14 H new ATOM 0 HA GLU A 98 1.745 -10.158 10.230 1.00 73.43 H new ATOM 0 HB2 GLU A 98 3.968 -8.911 11.898 1.00 54.02 H new ATOM 0 HB3 GLU A 98 2.420 -8.128 11.647 1.00 54.02 H new ATOM 0 HG2 GLU A 98 1.252 -9.928 12.765 1.00 13.11 H new ATOM 0 HG3 GLU A 98 2.716 -10.886 12.860 1.00 13.11 H new ATOM 1442 N PHE A 99 2.044 -8.193 8.794 1.00 72.22 N ATOM 1443 CA PHE A 99 2.128 -7.120 7.845 1.00 61.11 C ATOM 1444 C PHE A 99 1.866 -5.859 8.636 1.00 73.11 C ATOM 1445 O PHE A 99 0.829 -5.749 9.279 1.00 75.32 O ATOM 1446 CB PHE A 99 1.058 -7.277 6.753 1.00 1.40 C ATOM 1447 CG PHE A 99 1.213 -8.476 5.859 1.00 53.52 C ATOM 1448 CD1 PHE A 99 0.762 -9.724 6.257 1.00 21.11 C ATOM 1449 CD2 PHE A 99 1.791 -8.348 4.608 1.00 73.42 C ATOM 1450 CE1 PHE A 99 0.888 -10.818 5.428 1.00 33.42 C ATOM 1451 CE2 PHE A 99 1.922 -9.441 3.774 1.00 43.31 C ATOM 1452 CZ PHE A 99 1.471 -10.676 4.183 1.00 34.31 C ATOM 0 H PHE A 99 1.088 -8.415 9.073 1.00 72.22 H new ATOM 0 HA PHE A 99 3.099 -7.104 7.349 1.00 61.11 H new ATOM 0 HB2 PHE A 99 0.080 -7.327 7.232 1.00 1.40 H new ATOM 0 HB3 PHE A 99 1.063 -6.381 6.133 1.00 1.40 H new ATOM 0 HD1 PHE A 99 0.306 -9.841 7.229 1.00 21.11 H new ATOM 0 HD2 PHE A 99 2.144 -7.381 4.280 1.00 73.42 H new ATOM 0 HE1 PHE A 99 0.532 -11.785 5.751 1.00 33.42 H new ATOM 0 HE2 PHE A 99 2.378 -9.327 2.802 1.00 43.31 H new ATOM 0 HZ PHE A 99 1.573 -11.532 3.532 1.00 34.31 H new ATOM 1462 N GLU A 100 2.783 -4.946 8.634 1.00 15.40 N ATOM 1463 CA GLU A 100 2.673 -3.762 9.460 1.00 20.15 C ATOM 1464 C GLU A 100 2.854 -2.496 8.682 1.00 11.25 C ATOM 1465 O GLU A 100 3.716 -2.400 7.815 1.00 42.51 O ATOM 1466 CB GLU A 100 3.631 -3.819 10.646 1.00 14.42 C ATOM 1467 CG GLU A 100 3.239 -4.868 11.652 1.00 4.10 C ATOM 1468 CD GLU A 100 4.191 -4.965 12.821 1.00 74.23 C ATOM 1469 OE1 GLU A 100 5.260 -5.606 12.695 1.00 31.12 O ATOM 1470 OE2 GLU A 100 3.887 -4.403 13.894 1.00 62.04 O ATOM 0 H GLU A 100 3.630 -4.989 8.067 1.00 15.40 H new ATOM 0 HA GLU A 100 1.654 -3.750 9.847 1.00 20.15 H new ATOM 0 HB2 GLU A 100 4.639 -4.024 10.286 1.00 14.42 H new ATOM 0 HB3 GLU A 100 3.659 -2.845 11.134 1.00 14.42 H new ATOM 0 HG2 GLU A 100 2.239 -4.647 12.025 1.00 4.10 H new ATOM 0 HG3 GLU A 100 3.187 -5.836 11.154 1.00 4.10 H new ATOM 1477 N VAL A 101 2.018 -1.553 8.955 1.00 72.34 N ATOM 1478 CA VAL A 101 2.115 -0.257 8.316 1.00 11.50 C ATOM 1479 C VAL A 101 2.439 0.790 9.374 1.00 64.44 C ATOM 1480 O VAL A 101 1.713 0.946 10.351 1.00 44.14 O ATOM 1481 CB VAL A 101 0.823 0.118 7.495 1.00 32.21 C ATOM 1482 CG1 VAL A 101 -0.443 0.141 8.351 1.00 33.31 C ATOM 1483 CG2 VAL A 101 1.006 1.441 6.756 1.00 2.11 C ATOM 0 H VAL A 101 1.249 -1.643 9.620 1.00 72.34 H new ATOM 0 HA VAL A 101 2.920 -0.293 7.582 1.00 11.50 H new ATOM 0 HB VAL A 101 0.686 -0.675 6.760 1.00 32.21 H new ATOM 0 HG11 VAL A 101 -1.298 0.406 7.729 1.00 33.31 H new ATOM 0 HG12 VAL A 101 -0.604 -0.844 8.789 1.00 33.31 H new ATOM 0 HG13 VAL A 101 -0.331 0.878 9.146 1.00 33.31 H new ATOM 0 HG21 VAL A 101 0.099 1.675 6.198 1.00 2.11 H new ATOM 0 HG22 VAL A 101 1.204 2.235 7.476 1.00 2.11 H new ATOM 0 HG23 VAL A 101 1.846 1.359 6.066 1.00 2.11 H new ATOM 1493 N VAL A 102 3.563 1.437 9.222 1.00 32.23 N ATOM 1494 CA VAL A 102 4.009 2.424 10.192 1.00 31.23 C ATOM 1495 C VAL A 102 4.169 3.781 9.525 1.00 43.52 C ATOM 1496 O VAL A 102 4.791 3.871 8.479 1.00 32.32 O ATOM 1497 CB VAL A 102 5.376 2.007 10.834 1.00 2.42 C ATOM 1498 CG1 VAL A 102 5.802 2.980 11.926 1.00 71.13 C ATOM 1499 CG2 VAL A 102 5.323 0.587 11.378 1.00 61.54 C ATOM 0 H VAL A 102 4.196 1.303 8.434 1.00 32.23 H new ATOM 0 HA VAL A 102 3.254 2.483 10.976 1.00 31.23 H new ATOM 0 HB VAL A 102 6.124 2.041 10.042 1.00 2.42 H new ATOM 0 HG11 VAL A 102 6.754 2.659 12.348 1.00 71.13 H new ATOM 0 HG12 VAL A 102 5.911 3.978 11.502 1.00 71.13 H new ATOM 0 HG13 VAL A 102 5.046 3.000 12.711 1.00 71.13 H new ATOM 0 HG21 VAL A 102 6.287 0.329 11.816 1.00 61.54 H new ATOM 0 HG22 VAL A 102 4.547 0.518 12.141 1.00 61.54 H new ATOM 0 HG23 VAL A 102 5.096 -0.105 10.567 1.00 61.54 H new ATOM 1509 N ASP A 103 3.606 4.818 10.092 1.00 61.02 N ATOM 1510 CA ASP A 103 3.860 6.155 9.574 1.00 45.45 C ATOM 1511 C ASP A 103 5.153 6.627 10.175 1.00 41.14 C ATOM 1512 O ASP A 103 5.336 6.549 11.406 1.00 1.24 O ATOM 1513 CB ASP A 103 2.771 7.144 9.963 1.00 60.42 C ATOM 1514 CG ASP A 103 2.927 8.472 9.244 1.00 2.23 C ATOM 1515 OD1 ASP A 103 3.899 9.239 9.524 1.00 44.13 O ATOM 1516 OD2 ASP A 103 2.088 8.775 8.401 1.00 10.13 O ATOM 0 H ASP A 103 2.980 4.775 10.896 1.00 61.02 H new ATOM 0 HA ASP A 103 3.891 6.105 8.486 1.00 45.45 H new ATOM 0 HB2 ASP A 103 1.795 6.718 9.731 1.00 60.42 H new ATOM 0 HB3 ASP A 103 2.799 7.309 11.040 1.00 60.42 H new ATOM 1521 N VAL A 104 6.044 7.112 9.360 1.00 34.10 N ATOM 1522 CA VAL A 104 7.345 7.536 9.848 1.00 13.15 C ATOM 1523 C VAL A 104 7.665 8.975 9.502 1.00 13.55 C ATOM 1524 O VAL A 104 8.809 9.419 9.669 1.00 62.30 O ATOM 1525 CB VAL A 104 8.487 6.612 9.368 1.00 52.40 C ATOM 1526 CG1 VAL A 104 8.387 5.257 10.048 1.00 72.14 C ATOM 1527 CG2 VAL A 104 8.446 6.454 7.851 1.00 1.22 C ATOM 0 H VAL A 104 5.905 7.228 8.356 1.00 34.10 H new ATOM 0 HA VAL A 104 7.277 7.461 10.933 1.00 13.15 H new ATOM 0 HB VAL A 104 9.440 7.067 9.638 1.00 52.40 H new ATOM 0 HG11 VAL A 104 9.197 4.615 9.701 1.00 72.14 H new ATOM 0 HG12 VAL A 104 8.462 5.385 11.128 1.00 72.14 H new ATOM 0 HG13 VAL A 104 7.430 4.797 9.803 1.00 72.14 H new ATOM 0 HG21 VAL A 104 9.257 5.800 7.531 1.00 1.22 H new ATOM 0 HG22 VAL A 104 7.491 6.018 7.556 1.00 1.22 H new ATOM 0 HG23 VAL A 104 8.560 7.430 7.380 1.00 1.22 H new ATOM 1537 N GLY A 105 6.677 9.722 9.077 1.00 25.43 N ATOM 1538 CA GLY A 105 6.941 11.101 8.767 1.00 14.24 C ATOM 1539 C GLY A 105 6.018 11.695 7.737 1.00 34.31 C ATOM 1540 O GLY A 105 6.401 12.643 7.030 1.00 4.03 O ATOM 0 H GLY A 105 5.715 9.412 8.942 1.00 25.43 H new ATOM 0 HA2 GLY A 105 6.868 11.687 9.683 1.00 14.24 H new ATOM 0 HA3 GLY A 105 7.968 11.191 8.412 1.00 14.24 H new ATOM 1544 N SER A 106 4.826 11.176 7.623 1.00 44.03 N ATOM 1545 CA SER A 106 3.883 11.762 6.732 1.00 21.23 C ATOM 1546 C SER A 106 3.282 12.964 7.412 1.00 22.42 C ATOM 1547 O SER A 106 2.871 12.890 8.580 1.00 13.12 O ATOM 1548 CB SER A 106 2.790 10.767 6.342 1.00 43.20 C ATOM 1549 OG SER A 106 1.785 11.384 5.538 1.00 1.25 O ATOM 0 H SER A 106 4.494 10.357 8.133 1.00 44.03 H new ATOM 0 HA SER A 106 4.388 12.058 5.812 1.00 21.23 H new ATOM 0 HB2 SER A 106 3.233 9.933 5.797 1.00 43.20 H new ATOM 0 HB3 SER A 106 2.335 10.353 7.242 1.00 43.20 H new ATOM 0 HG SER A 106 1.102 10.722 5.304 1.00 1.25 H new ATOM 1555 N LEU A 107 3.239 14.076 6.713 1.00 62.25 N ATOM 1556 CA LEU A 107 2.664 15.282 7.277 1.00 13.34 C ATOM 1557 C LEU A 107 1.157 15.190 7.276 1.00 34.12 C ATOM 1558 O LEU A 107 0.472 15.919 7.978 1.00 32.24 O ATOM 1559 CB LEU A 107 3.096 16.543 6.532 1.00 21.12 C ATOM 1560 CG LEU A 107 4.588 16.955 6.573 1.00 64.24 C ATOM 1561 CD1 LEU A 107 5.130 16.984 7.995 1.00 41.40 C ATOM 1562 CD2 LEU A 107 5.453 16.089 5.668 1.00 52.31 C ATOM 0 H LEU A 107 3.591 14.173 5.761 1.00 62.25 H new ATOM 0 HA LEU A 107 3.035 15.360 8.299 1.00 13.34 H new ATOM 0 HB2 LEU A 107 2.815 16.422 5.486 1.00 21.12 H new ATOM 0 HB3 LEU A 107 2.512 17.375 6.924 1.00 21.12 H new ATOM 0 HG LEU A 107 4.637 17.972 6.183 1.00 64.24 H new ATOM 0 HD11 LEU A 107 6.180 17.278 7.978 1.00 41.40 H new ATOM 0 HD12 LEU A 107 4.562 17.702 8.586 1.00 41.40 H new ATOM 0 HD13 LEU A 107 5.037 15.993 8.440 1.00 41.40 H new ATOM 0 HD21 LEU A 107 6.490 16.418 5.732 1.00 52.31 H new ATOM 0 HD22 LEU A 107 5.382 15.048 5.984 1.00 52.31 H new ATOM 0 HD23 LEU A 107 5.107 16.180 4.638 1.00 52.31 H new ATOM 1574 N ASN A 108 0.659 14.299 6.476 1.00 64.02 N ATOM 1575 CA ASN A 108 -0.758 14.060 6.380 1.00 41.13 C ATOM 1576 C ASN A 108 -1.153 13.022 7.393 1.00 34.13 C ATOM 1577 O ASN A 108 -2.202 13.114 8.030 1.00 71.14 O ATOM 1578 CB ASN A 108 -1.110 13.597 4.977 1.00 40.34 C ATOM 1579 CG ASN A 108 -0.974 14.684 3.951 1.00 3.13 C ATOM 1580 OD1 ASN A 108 -1.228 15.846 4.227 1.00 72.24 O ATOM 1581 ND2 ASN A 108 -0.554 14.336 2.773 1.00 35.13 N ATOM 0 H ASN A 108 1.224 13.710 5.864 1.00 64.02 H new ATOM 0 HA ASN A 108 -1.302 14.982 6.584 1.00 41.13 H new ATOM 0 HB2 ASN A 108 -0.464 12.763 4.703 1.00 40.34 H new ATOM 0 HB3 ASN A 108 -2.134 13.223 4.969 1.00 40.34 H new ATOM 0 HD21 ASN A 108 -0.428 15.042 2.047 1.00 35.13 H new ATOM 0 HD22 ASN A 108 -0.350 13.357 2.573 1.00 35.13 H new ATOM 1588 N GLY A 109 -0.279 12.068 7.571 1.00 61.31 N ATOM 1589 CA GLY A 109 -0.517 11.012 8.520 1.00 5.33 C ATOM 1590 C GLY A 109 -1.188 9.806 7.893 1.00 4.23 C ATOM 1591 O GLY A 109 -2.263 9.913 7.302 1.00 1.42 O ATOM 0 H GLY A 109 0.607 12.000 7.070 1.00 61.31 H new ATOM 0 HA2 GLY A 109 0.431 10.706 8.963 1.00 5.33 H new ATOM 0 HA3 GLY A 109 -1.141 11.390 9.330 1.00 5.33 H new ATOM 1595 N THR A 110 -0.539 8.696 7.985 1.00 11.25 N ATOM 1596 CA THR A 110 -1.051 7.446 7.505 1.00 31.10 C ATOM 1597 C THR A 110 -1.937 6.815 8.589 1.00 45.54 C ATOM 1598 O THR A 110 -1.481 6.573 9.708 1.00 31.13 O ATOM 1599 CB THR A 110 0.132 6.518 7.185 1.00 60.51 C ATOM 1600 OG1 THR A 110 1.062 7.229 6.342 1.00 43.05 O ATOM 1601 CG2 THR A 110 -0.328 5.243 6.484 1.00 45.04 C ATOM 0 H THR A 110 0.387 8.625 8.406 1.00 11.25 H new ATOM 0 HA THR A 110 -1.646 7.600 6.605 1.00 31.10 H new ATOM 0 HB THR A 110 0.609 6.226 8.120 1.00 60.51 H new ATOM 0 HG1 THR A 110 1.589 7.849 6.887 1.00 43.05 H new ATOM 0 HG21 THR A 110 0.535 4.612 6.274 1.00 45.04 H new ATOM 0 HG22 THR A 110 -1.023 4.704 7.128 1.00 45.04 H new ATOM 0 HG23 THR A 110 -0.825 5.501 5.549 1.00 45.04 H new ATOM 1609 N TYR A 111 -3.194 6.592 8.264 1.00 53.03 N ATOM 1610 CA TYR A 111 -4.150 6.004 9.191 1.00 34.32 C ATOM 1611 C TYR A 111 -5.020 5.012 8.463 1.00 21.15 C ATOM 1612 O TYR A 111 -5.092 5.019 7.235 1.00 22.43 O ATOM 1613 CB TYR A 111 -5.054 7.077 9.839 1.00 13.33 C ATOM 1614 CG TYR A 111 -4.335 8.038 10.751 1.00 63.31 C ATOM 1615 CD1 TYR A 111 -4.057 7.689 12.060 1.00 52.12 C ATOM 1616 CD2 TYR A 111 -3.936 9.289 10.307 1.00 41.02 C ATOM 1617 CE1 TYR A 111 -3.403 8.552 12.905 1.00 5.14 C ATOM 1618 CE2 TYR A 111 -3.279 10.161 11.145 1.00 53.05 C ATOM 1619 CZ TYR A 111 -3.012 9.785 12.443 1.00 30.22 C ATOM 1620 OH TYR A 111 -2.354 10.654 13.286 1.00 14.23 O ATOM 0 H TYR A 111 -3.586 6.813 7.349 1.00 53.03 H new ATOM 0 HA TYR A 111 -3.582 5.509 9.979 1.00 34.32 H new ATOM 0 HB2 TYR A 111 -5.544 7.645 9.049 1.00 13.33 H new ATOM 0 HB3 TYR A 111 -5.839 6.577 10.406 1.00 13.33 H new ATOM 0 HD1 TYR A 111 -4.360 6.719 12.425 1.00 52.12 H new ATOM 0 HD2 TYR A 111 -4.144 9.584 9.289 1.00 41.02 H new ATOM 0 HE1 TYR A 111 -3.198 8.263 13.925 1.00 5.14 H new ATOM 0 HE2 TYR A 111 -2.975 11.134 10.787 1.00 53.05 H new ATOM 0 HH TYR A 111 -2.146 11.482 12.805 1.00 14.23 H new ATOM 1630 N VAL A 112 -5.683 4.166 9.194 1.00 21.11 N ATOM 1631 CA VAL A 112 -6.579 3.215 8.596 1.00 44.33 C ATOM 1632 C VAL A 112 -7.975 3.773 8.767 1.00 22.13 C ATOM 1633 O VAL A 112 -8.266 4.351 9.812 1.00 3.20 O ATOM 1634 CB VAL A 112 -6.476 1.820 9.264 1.00 13.43 C ATOM 1635 CG1 VAL A 112 -7.298 0.780 8.515 1.00 65.35 C ATOM 1636 CG2 VAL A 112 -5.027 1.372 9.396 1.00 54.12 C ATOM 0 H VAL A 112 -5.621 4.113 10.211 1.00 21.11 H new ATOM 0 HA VAL A 112 -6.325 3.072 7.546 1.00 44.33 H new ATOM 0 HB VAL A 112 -6.891 1.913 10.268 1.00 13.43 H new ATOM 0 HG11 VAL A 112 -7.202 -0.186 9.011 1.00 65.35 H new ATOM 0 HG12 VAL A 112 -8.345 1.081 8.506 1.00 65.35 H new ATOM 0 HG13 VAL A 112 -6.935 0.699 7.490 1.00 65.35 H new ATOM 0 HG21 VAL A 112 -4.991 0.390 9.868 1.00 54.12 H new ATOM 0 HG22 VAL A 112 -4.572 1.316 8.407 1.00 54.12 H new ATOM 0 HG23 VAL A 112 -4.479 2.089 10.007 1.00 54.12 H new ATOM 1646 N ASN A 113 -8.830 3.613 7.768 1.00 34.15 N ATOM 1647 CA ASN A 113 -10.186 4.214 7.793 1.00 30.34 C ATOM 1648 C ASN A 113 -11.008 3.699 8.991 1.00 63.44 C ATOM 1649 O ASN A 113 -11.915 4.367 9.465 1.00 4.03 O ATOM 1650 CB ASN A 113 -10.949 3.953 6.465 1.00 71.40 C ATOM 1651 CG ASN A 113 -11.668 2.608 6.413 1.00 73.13 C ATOM 1652 OD1 ASN A 113 -12.853 2.510 6.732 1.00 70.42 O ATOM 1653 ND2 ASN A 113 -10.971 1.576 6.047 1.00 71.21 N ATOM 0 H ASN A 113 -8.624 3.076 6.925 1.00 34.15 H new ATOM 0 HA ASN A 113 -10.055 5.290 7.905 1.00 30.34 H new ATOM 0 HB2 ASN A 113 -11.679 4.749 6.315 1.00 71.40 H new ATOM 0 HB3 ASN A 113 -10.243 4.008 5.636 1.00 71.40 H new ATOM 0 HD21 ASN A 113 -11.404 0.653 6.018 1.00 71.21 H new ATOM 0 HD22 ASN A 113 -9.991 1.688 5.788 1.00 71.21 H new ATOM 1660 N ARG A 114 -10.666 2.520 9.473 1.00 5.33 N ATOM 1661 CA ARG A 114 -11.364 1.922 10.596 1.00 2.03 C ATOM 1662 C ARG A 114 -10.531 1.968 11.867 1.00 52.43 C ATOM 1663 O ARG A 114 -11.044 1.704 12.953 1.00 32.53 O ATOM 1664 CB ARG A 114 -11.731 0.469 10.276 1.00 65.22 C ATOM 1665 CG ARG A 114 -12.775 0.328 9.195 1.00 12.35 C ATOM 1666 CD ARG A 114 -12.978 -1.120 8.787 1.00 44.42 C ATOM 1667 NE ARG A 114 -14.067 -1.239 7.813 1.00 22.13 N ATOM 1668 CZ ARG A 114 -13.921 -1.283 6.482 1.00 64.13 C ATOM 1669 NH1 ARG A 114 -12.707 -1.306 5.927 1.00 22.32 N ATOM 1670 NH2 ARG A 114 -14.998 -1.320 5.703 1.00 51.14 N ATOM 0 H ARG A 114 -9.904 1.953 9.102 1.00 5.33 H new ATOM 0 HA ARG A 114 -12.271 2.503 10.764 1.00 2.03 H new ATOM 0 HB2 ARG A 114 -10.831 -0.064 9.971 1.00 65.22 H new ATOM 0 HB3 ARG A 114 -12.094 -0.013 11.184 1.00 65.22 H new ATOM 0 HG2 ARG A 114 -13.720 0.741 9.547 1.00 12.35 H new ATOM 0 HG3 ARG A 114 -12.477 0.912 8.324 1.00 12.35 H new ATOM 0 HD2 ARG A 114 -12.056 -1.514 8.359 1.00 44.42 H new ATOM 0 HD3 ARG A 114 -13.204 -1.722 9.667 1.00 44.42 H new ATOM 0 HE ARG A 114 -15.017 -1.293 8.180 1.00 22.13 H new ATOM 0 HH11 ARG A 114 -11.876 -1.290 6.518 1.00 22.32 H new ATOM 0 HH12 ARG A 114 -12.611 -1.340 4.912 1.00 22.32 H new ATOM 0 HH21 ARG A 114 -15.929 -1.315 6.119 1.00 51.14 H new ATOM 0 HH22 ARG A 114 -14.893 -1.354 4.689 1.00 51.14 H new ATOM 1684 N GLU A 115 -9.276 2.344 11.755 1.00 32.15 N ATOM 1685 CA GLU A 115 -8.393 2.250 12.888 1.00 51.15 C ATOM 1686 C GLU A 115 -7.590 3.544 13.063 1.00 21.35 C ATOM 1687 O GLU A 115 -6.744 3.888 12.206 1.00 43.34 O ATOM 1688 CB GLU A 115 -7.452 1.068 12.694 1.00 73.33 C ATOM 1689 CG GLU A 115 -6.774 0.597 13.946 1.00 13.03 C ATOM 1690 CD GLU A 115 -7.739 0.046 14.958 1.00 53.00 C ATOM 1691 OE1 GLU A 115 -8.322 -1.035 14.720 1.00 52.44 O ATOM 1692 OE2 GLU A 115 -7.897 0.661 16.037 1.00 70.44 O ATOM 0 H GLU A 115 -8.852 2.712 10.903 1.00 32.15 H new ATOM 0 HA GLU A 115 -8.988 2.100 13.789 1.00 51.15 H new ATOM 0 HB2 GLU A 115 -8.016 0.238 12.268 1.00 73.33 H new ATOM 0 HB3 GLU A 115 -6.690 1.343 11.965 1.00 73.33 H new ATOM 0 HG2 GLU A 115 -6.043 -0.171 13.691 1.00 13.03 H new ATOM 0 HG3 GLU A 115 -6.223 1.426 14.390 1.00 13.03 H new ATOM 1699 N PRO A 116 -7.842 4.293 14.157 1.00 54.41 N ATOM 1700 CA PRO A 116 -7.117 5.537 14.477 1.00 45.42 C ATOM 1701 C PRO A 116 -5.704 5.252 15.012 1.00 0.02 C ATOM 1702 O PRO A 116 -5.358 5.611 16.143 1.00 5.23 O ATOM 1703 CB PRO A 116 -7.975 6.188 15.581 1.00 4.32 C ATOM 1704 CG PRO A 116 -9.228 5.380 15.645 1.00 63.22 C ATOM 1705 CD PRO A 116 -8.870 4.013 15.163 1.00 33.34 C ATOM 0 HA PRO A 116 -6.983 6.167 13.598 1.00 45.42 H new ATOM 0 HB2 PRO A 116 -7.454 6.180 16.538 1.00 4.32 H new ATOM 0 HB3 PRO A 116 -8.192 7.230 15.345 1.00 4.32 H new ATOM 0 HG2 PRO A 116 -9.616 5.344 16.663 1.00 63.22 H new ATOM 0 HG3 PRO A 116 -10.007 5.820 15.022 1.00 63.22 H new ATOM 0 HD2 PRO A 116 -8.490 3.385 15.969 1.00 33.34 H new ATOM 0 HD3 PRO A 116 -9.728 3.496 14.734 1.00 33.34 H new ATOM 1713 N ARG A 117 -4.915 4.615 14.202 1.00 32.12 N ATOM 1714 CA ARG A 117 -3.563 4.245 14.527 1.00 43.42 C ATOM 1715 C ARG A 117 -2.668 4.722 13.406 1.00 11.34 C ATOM 1716 O ARG A 117 -2.998 4.510 12.240 1.00 24.32 O ATOM 1717 CB ARG A 117 -3.462 2.717 14.628 1.00 44.53 C ATOM 1718 CG ARG A 117 -4.249 2.076 15.765 1.00 33.03 C ATOM 1719 CD ARG A 117 -3.582 2.262 17.112 1.00 73.12 C ATOM 1720 NE ARG A 117 -2.268 1.594 17.169 1.00 10.05 N ATOM 1721 CZ ARG A 117 -1.993 0.475 17.880 1.00 1.50 C ATOM 1722 NH1 ARG A 117 -2.979 -0.213 18.465 1.00 61.44 N ATOM 1723 NH2 ARG A 117 -0.743 0.031 17.960 1.00 24.21 N ATOM 0 H ARG A 117 -5.199 4.327 13.266 1.00 32.12 H new ATOM 0 HA ARG A 117 -3.266 4.690 15.477 1.00 43.42 H new ATOM 0 HB2 ARG A 117 -3.803 2.286 13.687 1.00 44.53 H new ATOM 0 HB3 ARG A 117 -2.412 2.447 14.740 1.00 44.53 H new ATOM 0 HG2 ARG A 117 -5.250 2.506 15.797 1.00 33.03 H new ATOM 0 HG3 ARG A 117 -4.366 1.011 15.566 1.00 33.03 H new ATOM 0 HD2 ARG A 117 -3.458 3.326 17.312 1.00 73.12 H new ATOM 0 HD3 ARG A 117 -4.227 1.863 17.895 1.00 73.12 H new ATOM 0 HE ARG A 117 -1.507 2.008 16.631 1.00 10.05 H new ATOM 0 HH11 ARG A 117 -3.944 0.104 18.377 1.00 61.44 H new ATOM 0 HH12 ARG A 117 -2.766 -1.055 18.999 1.00 61.44 H new ATOM 0 HH21 ARG A 117 0.008 0.533 17.486 1.00 24.21 H new ATOM 0 HH22 ARG A 117 -0.534 -0.812 18.495 1.00 24.21 H new ATOM 1737 N ASN A 118 -1.570 5.388 13.738 1.00 62.01 N ATOM 1738 CA ASN A 118 -0.627 5.842 12.703 1.00 44.54 C ATOM 1739 C ASN A 118 0.310 4.720 12.344 1.00 52.12 C ATOM 1740 O ASN A 118 1.007 4.754 11.336 1.00 30.15 O ATOM 1741 CB ASN A 118 0.131 7.123 13.078 1.00 31.31 C ATOM 1742 CG ASN A 118 1.103 7.002 14.235 1.00 40.32 C ATOM 1743 OD1 ASN A 118 0.929 6.193 15.139 1.00 35.33 O ATOM 1744 ND2 ASN A 118 2.124 7.829 14.237 1.00 74.14 N ATOM 0 H ASN A 118 -1.306 5.626 14.694 1.00 62.01 H new ATOM 0 HA ASN A 118 -1.215 6.113 11.826 1.00 44.54 H new ATOM 0 HB2 ASN A 118 0.680 7.467 12.202 1.00 31.31 H new ATOM 0 HB3 ASN A 118 -0.598 7.896 13.321 1.00 31.31 H new ATOM 0 HD21 ASN A 118 2.796 7.808 15.004 1.00 74.14 H new ATOM 0 HD22 ASN A 118 2.245 8.492 13.472 1.00 74.14 H new ATOM 1751 N ALA A 119 0.376 3.759 13.215 1.00 72.31 N ATOM 1752 CA ALA A 119 0.975 2.507 12.869 1.00 74.32 C ATOM 1753 C ALA A 119 -0.014 1.436 13.256 1.00 52.53 C ATOM 1754 O ALA A 119 -0.572 1.468 14.365 1.00 44.13 O ATOM 1755 CB ALA A 119 2.293 2.314 13.608 1.00 70.32 C ATOM 0 H ALA A 119 0.023 3.818 14.170 1.00 72.31 H new ATOM 0 HA ALA A 119 1.202 2.465 11.804 1.00 74.32 H new ATOM 0 HB1 ALA A 119 2.730 1.355 13.329 1.00 70.32 H new ATOM 0 HB2 ALA A 119 2.980 3.117 13.342 1.00 70.32 H new ATOM 0 HB3 ALA A 119 2.113 2.332 14.683 1.00 70.32 H new ATOM 1761 N GLN A 120 -0.225 0.506 12.368 1.00 3.21 N ATOM 1762 CA GLN A 120 -1.174 -0.554 12.568 1.00 62.54 C ATOM 1763 C GLN A 120 -0.704 -1.871 11.956 1.00 13.32 C ATOM 1764 O GLN A 120 0.059 -1.873 10.978 1.00 62.10 O ATOM 1765 CB GLN A 120 -2.587 -0.138 12.077 1.00 63.03 C ATOM 1766 CG GLN A 120 -3.695 -1.192 12.264 1.00 12.44 C ATOM 1767 CD GLN A 120 -3.884 -1.678 13.712 1.00 3.21 C ATOM 1768 OE1 GLN A 120 -2.954 -1.703 14.516 1.00 22.52 O ATOM 1769 NE2 GLN A 120 -5.062 -2.106 14.030 1.00 15.01 N ATOM 0 H GLN A 120 0.263 0.462 11.473 1.00 3.21 H new ATOM 0 HA GLN A 120 -1.247 -0.733 13.641 1.00 62.54 H new ATOM 0 HB2 GLN A 120 -2.882 0.770 12.603 1.00 63.03 H new ATOM 0 HB3 GLN A 120 -2.525 0.113 11.018 1.00 63.03 H new ATOM 0 HG2 GLN A 120 -4.638 -0.775 11.909 1.00 12.44 H new ATOM 0 HG3 GLN A 120 -3.470 -2.052 11.633 1.00 12.44 H new ATOM 0 HE21 GLN A 120 -5.818 -2.075 13.346 1.00 15.01 H new ATOM 0 HE22 GLN A 120 -5.235 -2.475 14.965 1.00 15.01 H new ATOM 1778 N VAL A 121 -1.121 -2.967 12.530 1.00 15.11 N ATOM 1779 CA VAL A 121 -0.939 -4.243 11.902 1.00 50.32 C ATOM 1780 C VAL A 121 -2.059 -4.365 10.839 1.00 60.21 C ATOM 1781 O VAL A 121 -3.224 -4.066 11.110 1.00 62.42 O ATOM 1782 CB VAL A 121 -0.978 -5.431 12.932 1.00 74.10 C ATOM 1783 CG1 VAL A 121 -2.295 -5.491 13.708 1.00 11.52 C ATOM 1784 CG2 VAL A 121 -0.690 -6.765 12.248 1.00 62.20 C ATOM 0 H VAL A 121 -1.591 -2.999 13.435 1.00 15.11 H new ATOM 0 HA VAL A 121 0.048 -4.306 11.443 1.00 50.32 H new ATOM 0 HB VAL A 121 -0.188 -5.239 13.658 1.00 74.10 H new ATOM 0 HG11 VAL A 121 -2.269 -6.329 14.405 1.00 11.52 H new ATOM 0 HG12 VAL A 121 -2.434 -4.563 14.262 1.00 11.52 H new ATOM 0 HG13 VAL A 121 -3.122 -5.625 13.011 1.00 11.52 H new ATOM 0 HG21 VAL A 121 -0.724 -7.567 12.986 1.00 62.20 H new ATOM 0 HG22 VAL A 121 -1.439 -6.948 11.478 1.00 62.20 H new ATOM 0 HG23 VAL A 121 0.299 -6.734 11.791 1.00 62.20 H new ATOM 1794 N MET A 122 -1.686 -4.725 9.643 1.00 54.14 N ATOM 1795 CA MET A 122 -2.603 -4.739 8.512 1.00 51.41 C ATOM 1796 C MET A 122 -3.694 -5.792 8.653 1.00 2.32 C ATOM 1797 O MET A 122 -3.536 -6.795 9.371 1.00 62.35 O ATOM 1798 CB MET A 122 -1.849 -4.946 7.198 1.00 31.34 C ATOM 1799 CG MET A 122 -0.826 -3.866 6.870 1.00 14.41 C ATOM 1800 SD MET A 122 0.089 -4.238 5.362 1.00 1.24 S ATOM 1801 CE MET A 122 1.219 -2.863 5.283 1.00 43.44 C ATOM 0 H MET A 122 -0.737 -5.020 9.413 1.00 54.14 H new ATOM 0 HA MET A 122 -3.088 -3.763 8.500 1.00 51.41 H new ATOM 0 HB2 MET A 122 -1.340 -5.909 7.236 1.00 31.34 H new ATOM 0 HB3 MET A 122 -2.573 -5.000 6.385 1.00 31.34 H new ATOM 0 HG2 MET A 122 -1.333 -2.908 6.759 1.00 14.41 H new ATOM 0 HG3 MET A 122 -0.128 -3.763 7.701 1.00 14.41 H new ATOM 0 HE1 MET A 122 2.051 -3.113 4.625 1.00 43.44 H new ATOM 0 HE2 MET A 122 0.700 -1.987 4.895 1.00 43.44 H new ATOM 0 HE3 MET A 122 1.599 -2.646 6.281 1.00 43.44 H new ATOM 1811 N GLN A 123 -4.782 -5.546 7.968 1.00 72.14 N ATOM 1812 CA GLN A 123 -5.925 -6.409 7.937 1.00 61.43 C ATOM 1813 C GLN A 123 -6.330 -6.572 6.485 1.00 12.11 C ATOM 1814 O GLN A 123 -6.372 -5.584 5.745 1.00 74.44 O ATOM 1815 CB GLN A 123 -7.081 -5.776 8.735 1.00 2.23 C ATOM 1816 CG GLN A 123 -8.391 -6.556 8.677 1.00 11.52 C ATOM 1817 CD GLN A 123 -8.276 -7.938 9.272 1.00 31.30 C ATOM 1818 OE1 GLN A 123 -7.941 -8.903 8.581 1.00 2.23 O ATOM 1819 NE2 GLN A 123 -8.566 -8.047 10.535 1.00 32.14 N ATOM 0 H GLN A 123 -4.895 -4.708 7.398 1.00 72.14 H new ATOM 0 HA GLN A 123 -5.691 -7.376 8.383 1.00 61.43 H new ATOM 0 HB2 GLN A 123 -6.776 -5.679 9.777 1.00 2.23 H new ATOM 0 HB3 GLN A 123 -7.256 -4.768 8.359 1.00 2.23 H new ATOM 0 HG2 GLN A 123 -9.163 -6.000 9.208 1.00 11.52 H new ATOM 0 HG3 GLN A 123 -8.714 -6.638 7.639 1.00 11.52 H new ATOM 0 HE21 GLN A 123 -8.839 -7.222 11.069 1.00 32.14 H new ATOM 0 HE22 GLN A 123 -8.521 -8.958 10.992 1.00 32.14 H new ATOM 1828 N THR A 124 -6.606 -7.782 6.072 1.00 63.30 N ATOM 1829 CA THR A 124 -7.009 -8.013 4.720 1.00 70.44 C ATOM 1830 C THR A 124 -8.478 -7.661 4.572 1.00 5.32 C ATOM 1831 O THR A 124 -9.325 -8.089 5.372 1.00 24.32 O ATOM 1832 CB THR A 124 -6.715 -9.473 4.234 1.00 64.31 C ATOM 1833 OG1 THR A 124 -7.163 -9.656 2.873 1.00 44.14 O ATOM 1834 CG2 THR A 124 -7.363 -10.527 5.137 1.00 72.34 C ATOM 0 H THR A 124 -6.558 -8.617 6.655 1.00 63.30 H new ATOM 0 HA THR A 124 -6.412 -7.368 4.075 1.00 70.44 H new ATOM 0 HB THR A 124 -5.635 -9.610 4.284 1.00 64.31 H new ATOM 0 HG1 THR A 124 -7.271 -10.613 2.690 1.00 44.14 H new ATOM 0 HG21 THR A 124 -7.131 -11.523 4.759 1.00 72.34 H new ATOM 0 HG22 THR A 124 -6.977 -10.425 6.151 1.00 72.34 H new ATOM 0 HG23 THR A 124 -8.444 -10.385 5.144 1.00 72.34 H new ATOM 1842 N GLY A 125 -8.766 -6.849 3.601 1.00 54.53 N ATOM 1843 CA GLY A 125 -10.111 -6.445 3.381 1.00 50.23 C ATOM 1844 C GLY A 125 -10.413 -5.163 4.081 1.00 13.33 C ATOM 1845 O GLY A 125 -11.574 -4.849 4.343 1.00 12.12 O ATOM 0 H GLY A 125 -8.085 -6.456 2.952 1.00 54.53 H new ATOM 0 HA2 GLY A 125 -10.288 -6.328 2.312 1.00 50.23 H new ATOM 0 HA3 GLY A 125 -10.789 -7.223 3.733 1.00 50.23 H new ATOM 1849 N ASP A 126 -9.387 -4.422 4.398 1.00 3.25 N ATOM 1850 CA ASP A 126 -9.573 -3.151 5.045 1.00 54.23 C ATOM 1851 C ASP A 126 -8.897 -2.101 4.178 1.00 50.12 C ATOM 1852 O ASP A 126 -8.190 -2.445 3.210 1.00 22.02 O ATOM 1853 CB ASP A 126 -9.005 -3.150 6.480 1.00 12.22 C ATOM 1854 CG ASP A 126 -9.667 -2.109 7.390 1.00 72.30 C ATOM 1855 OD1 ASP A 126 -10.232 -1.103 6.879 1.00 71.23 O ATOM 1856 OD2 ASP A 126 -9.652 -2.288 8.616 1.00 62.52 O ATOM 0 H ASP A 126 -8.415 -4.675 4.220 1.00 3.25 H new ATOM 0 HA ASP A 126 -10.636 -2.934 5.147 1.00 54.23 H new ATOM 0 HB2 ASP A 126 -9.136 -4.140 6.916 1.00 12.22 H new ATOM 0 HB3 ASP A 126 -7.933 -2.958 6.439 1.00 12.22 H new ATOM 1861 N GLU A 127 -9.070 -0.866 4.512 1.00 10.34 N ATOM 1862 CA GLU A 127 -8.597 0.199 3.685 1.00 30.11 C ATOM 1863 C GLU A 127 -7.770 1.194 4.500 1.00 4.11 C ATOM 1864 O GLU A 127 -8.237 1.749 5.516 1.00 23.12 O ATOM 1865 CB GLU A 127 -9.787 0.866 3.027 1.00 34.44 C ATOM 1866 CG GLU A 127 -9.440 1.888 1.989 1.00 24.14 C ATOM 1867 CD GLU A 127 -10.657 2.526 1.434 1.00 73.11 C ATOM 1868 OE1 GLU A 127 -11.239 1.993 0.443 1.00 33.32 O ATOM 1869 OE2 GLU A 127 -11.055 3.572 1.959 1.00 43.41 O ATOM 0 H GLU A 127 -9.542 -0.564 5.364 1.00 10.34 H new ATOM 0 HA GLU A 127 -7.939 -0.196 2.911 1.00 30.11 H new ATOM 0 HB2 GLU A 127 -10.408 0.097 2.567 1.00 34.44 H new ATOM 0 HB3 GLU A 127 -10.391 1.343 3.799 1.00 34.44 H new ATOM 0 HG2 GLU A 127 -8.795 2.650 2.427 1.00 24.14 H new ATOM 0 HG3 GLU A 127 -8.875 1.416 1.185 1.00 24.14 H new ATOM 1876 N ILE A 128 -6.581 1.428 4.037 1.00 73.25 N ATOM 1877 CA ILE A 128 -5.612 2.260 4.697 1.00 22.42 C ATOM 1878 C ILE A 128 -5.445 3.542 3.895 1.00 41.54 C ATOM 1879 O ILE A 128 -5.296 3.503 2.676 1.00 15.04 O ATOM 1880 CB ILE A 128 -4.235 1.533 4.789 1.00 2.33 C ATOM 1881 CG1 ILE A 128 -4.400 0.151 5.457 1.00 21.21 C ATOM 1882 CG2 ILE A 128 -3.220 2.385 5.559 1.00 31.32 C ATOM 1883 CD1 ILE A 128 -3.136 -0.689 5.474 1.00 32.44 C ATOM 0 H ILE A 128 -6.243 1.033 3.159 1.00 73.25 H new ATOM 0 HA ILE A 128 -5.959 2.480 5.707 1.00 22.42 H new ATOM 0 HB ILE A 128 -3.857 1.387 3.777 1.00 2.33 H new ATOM 0 HG12 ILE A 128 -4.741 0.294 6.482 1.00 21.21 H new ATOM 0 HG13 ILE A 128 -5.182 -0.401 4.935 1.00 21.21 H new ATOM 0 HG21 ILE A 128 -2.267 1.858 5.611 1.00 31.32 H new ATOM 0 HG22 ILE A 128 -3.081 3.337 5.047 1.00 31.32 H new ATOM 0 HG23 ILE A 128 -3.589 2.567 6.568 1.00 31.32 H new ATOM 0 HD11 ILE A 128 -3.340 -1.643 5.961 1.00 32.44 H new ATOM 0 HD12 ILE A 128 -2.804 -0.867 4.451 1.00 32.44 H new ATOM 0 HD13 ILE A 128 -2.356 -0.161 6.022 1.00 32.44 H new ATOM 1895 N GLN A 129 -5.510 4.659 4.547 1.00 31.04 N ATOM 1896 CA GLN A 129 -5.340 5.903 3.878 1.00 13.33 C ATOM 1897 C GLN A 129 -3.912 6.368 4.075 1.00 35.05 C ATOM 1898 O GLN A 129 -3.487 6.679 5.197 1.00 21.01 O ATOM 1899 CB GLN A 129 -6.348 6.940 4.373 1.00 32.41 C ATOM 1900 CG GLN A 129 -6.305 8.251 3.604 1.00 23.02 C ATOM 1901 CD GLN A 129 -7.380 9.222 4.033 1.00 61.34 C ATOM 1902 OE1 GLN A 129 -7.813 9.235 5.185 1.00 13.03 O ATOM 1903 NE2 GLN A 129 -7.841 10.029 3.114 1.00 32.54 N ATOM 0 H GLN A 129 -5.681 4.732 5.550 1.00 31.04 H new ATOM 0 HA GLN A 129 -5.529 5.775 2.812 1.00 13.33 H new ATOM 0 HB2 GLN A 129 -7.352 6.521 4.302 1.00 32.41 H new ATOM 0 HB3 GLN A 129 -6.160 7.141 5.428 1.00 32.41 H new ATOM 0 HG2 GLN A 129 -5.328 8.715 3.742 1.00 23.02 H new ATOM 0 HG3 GLN A 129 -6.413 8.045 2.539 1.00 23.02 H new ATOM 0 HE21 GLN A 129 -7.462 9.994 2.168 1.00 32.54 H new ATOM 0 HE22 GLN A 129 -8.580 10.694 3.343 1.00 32.54 H new ATOM 1912 N ILE A 130 -3.175 6.386 3.005 1.00 55.43 N ATOM 1913 CA ILE A 130 -1.797 6.775 3.038 1.00 13.31 C ATOM 1914 C ILE A 130 -1.685 8.254 2.792 1.00 52.10 C ATOM 1915 O ILE A 130 -1.792 8.738 1.649 1.00 44.13 O ATOM 1916 CB ILE A 130 -0.912 5.946 2.055 1.00 1.43 C ATOM 1917 CG1 ILE A 130 -1.520 5.914 0.632 1.00 71.41 C ATOM 1918 CG2 ILE A 130 -0.710 4.532 2.592 1.00 21.14 C ATOM 1919 CD1 ILE A 130 -0.674 5.181 -0.393 1.00 13.44 C ATOM 0 H ILE A 130 -3.515 6.129 2.078 1.00 55.43 H new ATOM 0 HA ILE A 130 -1.407 6.555 4.032 1.00 13.31 H new ATOM 0 HB ILE A 130 0.060 6.435 1.982 1.00 1.43 H new ATOM 0 HG12 ILE A 130 -2.502 5.442 0.680 1.00 71.41 H new ATOM 0 HG13 ILE A 130 -1.675 6.938 0.293 1.00 71.41 H new ATOM 0 HG21 ILE A 130 -0.091 3.964 1.897 1.00 21.14 H new ATOM 0 HG22 ILE A 130 -0.217 4.579 3.563 1.00 21.14 H new ATOM 0 HG23 ILE A 130 -1.678 4.042 2.700 1.00 21.14 H new ATOM 0 HD11 ILE A 130 -1.173 5.206 -1.362 1.00 13.44 H new ATOM 0 HD12 ILE A 130 0.300 5.664 -0.474 1.00 13.44 H new ATOM 0 HD13 ILE A 130 -0.540 4.145 -0.081 1.00 13.44 H new ATOM 1931 N GLY A 131 -1.556 8.979 3.877 1.00 54.31 N ATOM 1932 CA GLY A 131 -1.512 10.403 3.826 1.00 44.31 C ATOM 1933 C GLY A 131 -2.895 10.957 3.580 1.00 15.11 C ATOM 1934 O GLY A 131 -3.599 11.370 4.509 1.00 35.31 O ATOM 0 H GLY A 131 -1.479 8.589 4.816 1.00 54.31 H new ATOM 0 HA2 GLY A 131 -1.116 10.796 4.762 1.00 44.31 H new ATOM 0 HA3 GLY A 131 -0.836 10.725 3.034 1.00 44.31 H new ATOM 1938 N LYS A 132 -3.283 10.964 2.339 1.00 65.15 N ATOM 1939 CA LYS A 132 -4.601 11.393 1.953 1.00 41.45 C ATOM 1940 C LYS A 132 -5.185 10.421 0.913 1.00 32.12 C ATOM 1941 O LYS A 132 -6.386 10.433 0.644 1.00 51.34 O ATOM 1942 CB LYS A 132 -4.541 12.822 1.370 1.00 54.12 C ATOM 1943 CG LYS A 132 -5.909 13.453 1.080 1.00 32.43 C ATOM 1944 CD LYS A 132 -6.716 13.707 2.360 1.00 63.12 C ATOM 1945 CE LYS A 132 -6.100 14.809 3.222 1.00 21.54 C ATOM 1946 NZ LYS A 132 -6.128 16.132 2.553 1.00 50.25 N ATOM 0 H LYS A 132 -2.694 10.671 1.560 1.00 65.15 H new ATOM 0 HA LYS A 132 -5.245 11.398 2.832 1.00 41.45 H new ATOM 0 HB2 LYS A 132 -4.001 13.462 2.068 1.00 54.12 H new ATOM 0 HB3 LYS A 132 -3.963 12.799 0.446 1.00 54.12 H new ATOM 0 HG2 LYS A 132 -5.767 14.395 0.550 1.00 32.43 H new ATOM 0 HG3 LYS A 132 -6.476 12.797 0.419 1.00 32.43 H new ATOM 0 HD2 LYS A 132 -7.737 13.983 2.095 1.00 63.12 H new ATOM 0 HD3 LYS A 132 -6.775 12.785 2.939 1.00 63.12 H new ATOM 0 HE2 LYS A 132 -6.639 14.871 4.167 1.00 21.54 H new ATOM 0 HE3 LYS A 132 -5.069 14.547 3.460 1.00 21.54 H new ATOM 0 HZ1 LYS A 132 -5.908 16.876 3.246 1.00 50.25 H new ATOM 0 HZ2 LYS A 132 -5.422 16.150 1.790 1.00 50.25 H new ATOM 0 HZ3 LYS A 132 -7.074 16.299 2.154 1.00 50.25 H new ATOM 1960 N PHE A 133 -4.357 9.539 0.392 1.00 22.42 N ATOM 1961 CA PHE A 133 -4.759 8.690 -0.709 1.00 63.24 C ATOM 1962 C PHE A 133 -5.276 7.339 -0.262 1.00 70.11 C ATOM 1963 O PHE A 133 -4.941 6.859 0.819 1.00 61.12 O ATOM 1964 CB PHE A 133 -3.653 8.622 -1.743 1.00 62.13 C ATOM 1965 CG PHE A 133 -3.411 9.980 -2.346 1.00 74.01 C ATOM 1966 CD1 PHE A 133 -4.299 10.497 -3.276 1.00 32.02 C ATOM 1967 CD2 PHE A 133 -2.334 10.755 -1.957 1.00 63.42 C ATOM 1968 CE1 PHE A 133 -4.115 11.750 -3.811 1.00 3.23 C ATOM 1969 CE2 PHE A 133 -2.149 12.016 -2.488 1.00 71.21 C ATOM 1970 CZ PHE A 133 -3.039 12.514 -3.418 1.00 20.21 C ATOM 0 H PHE A 133 -3.400 9.392 0.714 1.00 22.42 H new ATOM 0 HA PHE A 133 -5.623 9.145 -1.194 1.00 63.24 H new ATOM 0 HB2 PHE A 133 -2.737 8.254 -1.281 1.00 62.13 H new ATOM 0 HB3 PHE A 133 -3.922 7.913 -2.526 1.00 62.13 H new ATOM 0 HD1 PHE A 133 -5.149 9.906 -3.585 1.00 32.02 H new ATOM 0 HD2 PHE A 133 -1.632 10.371 -1.232 1.00 63.42 H new ATOM 0 HE1 PHE A 133 -4.814 12.135 -4.539 1.00 3.23 H new ATOM 0 HE2 PHE A 133 -1.306 12.614 -2.175 1.00 71.21 H new ATOM 0 HZ PHE A 133 -2.892 13.499 -3.836 1.00 20.21 H new ATOM 1980 N ARG A 134 -6.070 6.722 -1.113 1.00 71.00 N ATOM 1981 CA ARG A 134 -6.848 5.556 -0.725 1.00 15.13 C ATOM 1982 C ARG A 134 -6.176 4.257 -1.181 1.00 72.12 C ATOM 1983 O ARG A 134 -5.975 4.030 -2.389 1.00 20.44 O ATOM 1984 CB ARG A 134 -8.247 5.724 -1.348 1.00 10.13 C ATOM 1985 CG ARG A 134 -9.303 4.727 -0.916 1.00 41.43 C ATOM 1986 CD ARG A 134 -10.679 5.148 -1.435 1.00 14.24 C ATOM 1987 NE ARG A 134 -11.759 4.314 -0.899 1.00 3.31 N ATOM 1988 CZ ARG A 134 -13.032 4.689 -0.723 1.00 42.11 C ATOM 1989 NH1 ARG A 134 -13.407 5.944 -0.952 1.00 42.22 N ATOM 1990 NH2 ARG A 134 -13.919 3.809 -0.270 1.00 61.53 N ATOM 0 H ARG A 134 -6.196 7.008 -2.084 1.00 71.00 H new ATOM 0 HA ARG A 134 -6.921 5.486 0.360 1.00 15.13 H new ATOM 0 HB2 ARG A 134 -8.607 6.726 -1.113 1.00 10.13 H new ATOM 0 HB3 ARG A 134 -8.147 5.667 -2.432 1.00 10.13 H new ATOM 0 HG2 ARG A 134 -9.053 3.736 -1.294 1.00 41.43 H new ATOM 0 HG3 ARG A 134 -9.323 4.658 0.172 1.00 41.43 H new ATOM 0 HD2 ARG A 134 -10.862 6.189 -1.169 1.00 14.24 H new ATOM 0 HD3 ARG A 134 -10.686 5.091 -2.524 1.00 14.24 H new ATOM 0 HE ARG A 134 -11.518 3.359 -0.636 1.00 3.31 H new ATOM 0 HH11 ARG A 134 -12.722 6.632 -1.265 1.00 42.22 H new ATOM 0 HH12 ARG A 134 -14.380 6.219 -0.815 1.00 42.22 H new ATOM 0 HH21 ARG A 134 -13.628 2.854 -0.059 1.00 61.53 H new ATOM 0 HH22 ARG A 134 -14.891 4.088 -0.134 1.00 61.53 H new ATOM 2004 N LEU A 135 -5.868 3.409 -0.214 1.00 33.23 N ATOM 2005 CA LEU A 135 -5.215 2.132 -0.433 1.00 44.50 C ATOM 2006 C LEU A 135 -6.051 1.012 0.187 1.00 21.11 C ATOM 2007 O LEU A 135 -6.427 1.086 1.343 1.00 22.50 O ATOM 2008 CB LEU A 135 -3.771 2.200 0.170 1.00 52.12 C ATOM 2009 CG LEU A 135 -2.854 0.947 0.109 1.00 72.21 C ATOM 2010 CD1 LEU A 135 -1.414 1.372 0.337 1.00 21.11 C ATOM 2011 CD2 LEU A 135 -3.220 -0.073 1.188 1.00 40.22 C ATOM 0 H LEU A 135 -6.071 3.595 0.768 1.00 33.23 H new ATOM 0 HA LEU A 135 -5.130 1.916 -1.498 1.00 44.50 H new ATOM 0 HB2 LEU A 135 -3.246 3.013 -0.332 1.00 52.12 H new ATOM 0 HB3 LEU A 135 -3.868 2.482 1.218 1.00 52.12 H new ATOM 0 HG LEU A 135 -2.984 0.488 -0.871 1.00 72.21 H new ATOM 0 HD11 LEU A 135 -0.765 0.497 0.295 1.00 21.11 H new ATOM 0 HD12 LEU A 135 -1.117 2.081 -0.436 1.00 21.11 H new ATOM 0 HD13 LEU A 135 -1.324 1.844 1.316 1.00 21.11 H new ATOM 0 HD21 LEU A 135 -2.557 -0.935 1.114 1.00 40.22 H new ATOM 0 HD22 LEU A 135 -3.112 0.384 2.172 1.00 40.22 H new ATOM 0 HD23 LEU A 135 -4.252 -0.396 1.049 1.00 40.22 H new ATOM 2023 N VAL A 136 -6.326 -0.006 -0.567 1.00 72.15 N ATOM 2024 CA VAL A 136 -7.061 -1.148 -0.068 1.00 30.24 C ATOM 2025 C VAL A 136 -6.080 -2.303 0.068 1.00 24.22 C ATOM 2026 O VAL A 136 -5.344 -2.602 -0.875 1.00 14.52 O ATOM 2027 CB VAL A 136 -8.204 -1.562 -1.039 1.00 12.40 C ATOM 2028 CG1 VAL A 136 -9.048 -2.690 -0.454 1.00 13.40 C ATOM 2029 CG2 VAL A 136 -9.082 -0.369 -1.393 1.00 74.21 C ATOM 0 H VAL A 136 -6.052 -0.078 -1.547 1.00 72.15 H new ATOM 0 HA VAL A 136 -7.516 -0.891 0.889 1.00 30.24 H new ATOM 0 HB VAL A 136 -7.738 -1.928 -1.954 1.00 12.40 H new ATOM 0 HG11 VAL A 136 -9.838 -2.956 -1.157 1.00 13.40 H new ATOM 0 HG12 VAL A 136 -8.417 -3.560 -0.272 1.00 13.40 H new ATOM 0 HG13 VAL A 136 -9.494 -2.362 0.485 1.00 13.40 H new ATOM 0 HG21 VAL A 136 -9.872 -0.688 -2.073 1.00 74.21 H new ATOM 0 HG22 VAL A 136 -9.527 0.038 -0.485 1.00 74.21 H new ATOM 0 HG23 VAL A 136 -8.476 0.398 -1.875 1.00 74.21 H new ATOM 2039 N PHE A 137 -6.038 -2.923 1.222 1.00 34.51 N ATOM 2040 CA PHE A 137 -5.116 -4.018 1.442 1.00 55.42 C ATOM 2041 C PHE A 137 -5.856 -5.334 1.354 1.00 32.21 C ATOM 2042 O PHE A 137 -6.857 -5.544 2.058 1.00 12.33 O ATOM 2043 CB PHE A 137 -4.406 -3.881 2.798 1.00 21.34 C ATOM 2044 CG PHE A 137 -3.405 -4.976 3.065 1.00 32.24 C ATOM 2045 CD1 PHE A 137 -2.187 -4.986 2.413 1.00 51.42 C ATOM 2046 CD2 PHE A 137 -3.686 -5.991 3.964 1.00 62.53 C ATOM 2047 CE1 PHE A 137 -1.268 -5.984 2.649 1.00 41.20 C ATOM 2048 CE2 PHE A 137 -2.772 -6.994 4.206 1.00 55.31 C ATOM 2049 CZ PHE A 137 -1.561 -6.991 3.548 1.00 34.03 C ATOM 0 H PHE A 137 -6.627 -2.692 2.022 1.00 34.51 H new ATOM 0 HA PHE A 137 -4.350 -3.989 0.667 1.00 55.42 H new ATOM 0 HB2 PHE A 137 -3.898 -2.917 2.838 1.00 21.34 H new ATOM 0 HB3 PHE A 137 -5.153 -3.881 3.592 1.00 21.34 H new ATOM 0 HD1 PHE A 137 -1.953 -4.201 1.709 1.00 51.42 H new ATOM 0 HD2 PHE A 137 -4.634 -5.997 4.482 1.00 62.53 H new ATOM 0 HE1 PHE A 137 -0.320 -5.979 2.132 1.00 41.20 H new ATOM 0 HE2 PHE A 137 -3.004 -7.780 4.909 1.00 55.31 H new ATOM 0 HZ PHE A 137 -0.842 -7.775 3.735 1.00 34.03 H new ATOM 2059 N LEU A 138 -5.376 -6.216 0.508 1.00 35.41 N ATOM 2060 CA LEU A 138 -6.024 -7.484 0.280 1.00 61.05 C ATOM 2061 C LEU A 138 -5.015 -8.605 0.176 1.00 10.24 C ATOM 2062 O LEU A 138 -3.935 -8.453 -0.415 1.00 70.31 O ATOM 2063 CB LEU A 138 -6.875 -7.428 -1.000 1.00 42.51 C ATOM 2064 CG LEU A 138 -8.092 -6.504 -0.957 1.00 24.43 C ATOM 2065 CD1 LEU A 138 -8.670 -6.307 -2.345 1.00 73.45 C ATOM 2066 CD2 LEU A 138 -9.158 -7.079 -0.040 1.00 41.11 C ATOM 0 H LEU A 138 -4.527 -6.074 -0.040 1.00 35.41 H new ATOM 0 HA LEU A 138 -6.672 -7.684 1.134 1.00 61.05 H new ATOM 0 HB2 LEU A 138 -6.235 -7.114 -1.825 1.00 42.51 H new ATOM 0 HB3 LEU A 138 -7.218 -8.437 -1.229 1.00 42.51 H new ATOM 0 HG LEU A 138 -7.767 -5.537 -0.572 1.00 24.43 H new ATOM 0 HD11 LEU A 138 -9.535 -5.646 -2.289 1.00 73.45 H new ATOM 0 HD12 LEU A 138 -7.915 -5.862 -2.994 1.00 73.45 H new ATOM 0 HD13 LEU A 138 -8.976 -7.271 -2.752 1.00 73.45 H new ATOM 0 HD21 LEU A 138 -10.019 -6.411 -0.019 1.00 41.11 H new ATOM 0 HD22 LEU A 138 -9.467 -8.057 -0.409 1.00 41.11 H new ATOM 0 HD23 LEU A 138 -8.754 -7.183 0.967 1.00 41.11 H new ATOM 2078 N ALA A 139 -5.330 -9.703 0.779 1.00 22.21 N ATOM 2079 CA ALA A 139 -4.518 -10.876 0.650 1.00 72.04 C ATOM 2080 C ALA A 139 -4.856 -11.542 -0.667 1.00 42.23 C ATOM 2081 O ALA A 139 -5.837 -12.287 -0.765 1.00 30.05 O ATOM 2082 CB ALA A 139 -4.726 -11.833 1.822 1.00 61.42 C ATOM 0 H ALA A 139 -6.152 -9.817 1.373 1.00 22.21 H new ATOM 0 HA ALA A 139 -3.465 -10.595 0.664 1.00 72.04 H new ATOM 0 HB1 ALA A 139 -4.094 -12.712 1.691 1.00 61.42 H new ATOM 0 HB2 ALA A 139 -4.461 -11.331 2.753 1.00 61.42 H new ATOM 0 HB3 ALA A 139 -5.771 -12.140 1.860 1.00 61.42 H new ATOM 2088 N GLY A 140 -4.126 -11.161 -1.697 1.00 1.21 N ATOM 2089 CA GLY A 140 -4.332 -11.718 -3.011 1.00 30.00 C ATOM 2090 C GLY A 140 -3.991 -13.187 -3.046 1.00 30.22 C ATOM 2091 O GLY A 140 -4.891 -14.027 -2.983 1.00 11.40 O ATOM 0 H GLY A 140 -3.383 -10.464 -1.644 1.00 1.21 H new ATOM 0 HA2 GLY A 140 -5.371 -11.577 -3.309 1.00 30.00 H new ATOM 0 HA3 GLY A 140 -3.717 -11.183 -3.735 1.00 30.00 H new ATOM 2095 N PRO A 141 -2.706 -13.546 -3.141 1.00 73.20 N ATOM 2096 CA PRO A 141 -2.307 -14.926 -3.130 1.00 21.23 C ATOM 2097 C PRO A 141 -2.235 -15.482 -1.728 1.00 12.10 C ATOM 2098 O PRO A 141 -1.507 -14.980 -0.873 1.00 2.41 O ATOM 2099 CB PRO A 141 -0.918 -14.935 -3.762 1.00 43.00 C ATOM 2100 CG PRO A 141 -0.605 -13.503 -4.104 1.00 50.42 C ATOM 2101 CD PRO A 141 -1.549 -12.661 -3.291 1.00 11.34 C ATOM 0 HA PRO A 141 -3.026 -15.546 -3.666 1.00 21.23 H new ATOM 0 HB2 PRO A 141 -0.179 -15.341 -3.072 1.00 43.00 H new ATOM 0 HB3 PRO A 141 -0.900 -15.561 -4.654 1.00 43.00 H new ATOM 0 HG2 PRO A 141 0.432 -13.264 -3.867 1.00 50.42 H new ATOM 0 HG3 PRO A 141 -0.739 -13.319 -5.170 1.00 50.42 H new ATOM 0 HD2 PRO A 141 -1.121 -12.385 -2.328 1.00 11.34 H new ATOM 0 HD3 PRO A 141 -1.810 -11.734 -3.802 1.00 11.34 H new