USER MOD reduce.3.24.130724 H: found=0, std=0, add=903, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 904 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 56 ASN : amide:sc=-0.00313 X(o=2.8,f=2.4) USER MOD Set 1.2: A 102 ASN : amide:sc= 1.77 K(o=2.8,f=-5.4!) USER MOD Set 1.3: A 104 SER OG : rot -117:sc= 1.32 USER MOD Set 1.4: A 108 SER OG : rot -36:sc= -0.295 USER MOD Set 2.1: A 101 LYS NZ :NH3+ 149:sc= 1.53 (180deg=0.404) USER MOD Set 2.2: A 103 ASN : amide:sc= 1.67 K(o=3.2,f=-4.2) USER MOD Set 3.1: A 70 ASN : amide:sc= -2.15 K(o=-1.9,f=-3.5!) USER MOD Set 3.2: A 91 THR OG1 : rot 160:sc= 0.297 USER MOD Set 4.1: A 52 SER OG : rot -90:sc= -0.0156 USER MOD Set 4.2: A 59 MET CE :methyl -176:sc= -1.56! (180deg=-1.94!) USER MOD Set 5.1: A 37 LYS NZ :NH3+ -131:sc= 2.33 (180deg=-0.669) USER MOD Set 5.2: A 123 SER OG : rot 135:sc= 0.976 USER MOD Single : A 17 ASN : amide:sc= -0.1 K(o=-0.1,f=-2.1!) USER MOD Single : A 20 THR OG1 : rot -40:sc= 1.23 USER MOD Single : A 21 TYR OH : rot 110:sc= 0.385 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.717! C(o=-0.72!,f=-0.73!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.309 K(o=-0.31,f=-2.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= -0.88 K(o=1.1,f=-9.3!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.01 K(o=-2,f=-4.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -6.54! C(o=-6.5!,f=-5.9!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -3.34! C(o=-3.3!,f=-6.5!) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= 1.17 (180deg=-0.795) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -130:sc= 3.17 (180deg=-1.37) USER MOD Single : A 105 SER OG : rot 180:sc= 0.17 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 109 ASN : amide:sc= -1.36! X(o=-1.4!,f=-1.6) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 80:sc= -0.484 USER MOD Single : A 115 THR OG1 : rot 152:sc= 1.3 USER MOD Single : A 117 HIS : no HD1:sc= 0.982 K(o=0.98,f=-5!) USER MOD Single : A 120 LYS NZ :NH3+ 149:sc= 1.18 (180deg=0.412) USER MOD Single : A 127 THR OG1 : rot 180:sc= 0.186 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 14 -6.401 -17.418 12.504 1.00 0.00 N ATOM 2 CA ARG A 14 -7.681 -16.835 12.130 1.00 0.00 C ATOM 3 C ARG A 14 -7.577 -15.314 12.146 1.00 0.00 C ATOM 4 O ARG A 14 -7.539 -14.697 13.210 1.00 0.00 O ATOM 5 CB ARG A 14 -8.780 -17.308 13.083 1.00 0.00 C ATOM 6 CG ARG A 14 -10.183 -16.975 12.606 1.00 0.00 C ATOM 7 CD ARG A 14 -11.143 -16.811 13.774 1.00 0.00 C ATOM 8 NE ARG A 14 -10.940 -15.546 14.476 1.00 0.00 N ATOM 9 CZ ARG A 14 -10.456 -15.445 15.715 1.00 0.00 C ATOM 10 NH1 ARG A 14 -10.136 -16.536 16.409 1.00 0.00 N ATOM 11 NH2 ARG A 14 -10.295 -14.252 16.269 1.00 0.00 N ATOM 0 HA ARG A 14 -7.940 -17.161 11.123 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.696 -18.387 13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.621 -16.855 14.061 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.161 -16.056 12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.542 -17.765 11.947 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.169 -16.863 13.410 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -11.010 -17.638 14.471 1.00 0.00 H new ATOM 0 HE ARG A 14 -11.184 -14.685 13.987 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -10.260 -17.459 15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.767 -16.448 17.356 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.541 -13.410 15.748 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.925 -14.175 17.216 1.00 0.00 H new ATOM 25 N ILE A 15 -7.519 -14.722 10.962 1.00 0.00 N ATOM 26 CA ILE A 15 -7.314 -13.283 10.829 1.00 0.00 C ATOM 27 C ILE A 15 -8.224 -12.707 9.747 1.00 0.00 C ATOM 28 O ILE A 15 -8.865 -13.460 9.013 1.00 0.00 O ATOM 29 CB ILE A 15 -5.840 -12.958 10.483 1.00 0.00 C ATOM 30 CG1 ILE A 15 -5.191 -14.115 9.718 1.00 0.00 C ATOM 31 CG2 ILE A 15 -5.054 -12.649 11.747 1.00 0.00 C ATOM 32 CD1 ILE A 15 -4.173 -13.669 8.691 1.00 0.00 C ATOM 0 H ILE A 15 -7.611 -15.217 10.075 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.560 -12.828 11.789 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.827 -12.077 9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.707 -14.784 10.430 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -5.970 -14.691 9.218 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.020 -12.423 11.486 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.498 -11.790 12.250 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.080 -13.512 12.412 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.756 -14.542 8.189 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.656 -13.025 7.956 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.373 -13.119 9.187 1.00 0.00 H new ATOM 44 N PRO A 16 -8.321 -11.365 9.652 1.00 0.00 N ATOM 45 CA PRO A 16 -9.081 -10.696 8.586 1.00 0.00 C ATOM 46 C PRO A 16 -8.573 -11.061 7.189 1.00 0.00 C ATOM 47 O PRO A 16 -7.496 -11.643 7.041 1.00 0.00 O ATOM 48 CB PRO A 16 -8.850 -9.205 8.854 1.00 0.00 C ATOM 49 CG PRO A 16 -8.467 -9.126 10.291 1.00 0.00 C ATOM 50 CD PRO A 16 -7.720 -10.393 10.585 1.00 0.00 C ATOM 0 HA PRO A 16 -10.131 -10.989 8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.063 -8.806 8.213 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.750 -8.624 8.653 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.845 -8.252 10.482 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.348 -9.035 10.926 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.650 -10.278 10.412 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.844 -10.702 11.623 1.00 0.00 H new ATOM 58 N ASN A 17 -9.334 -10.691 6.167 1.00 0.00 N ATOM 59 CA ASN A 17 -8.984 -11.033 4.791 1.00 0.00 C ATOM 60 C ASN A 17 -7.900 -10.103 4.260 1.00 0.00 C ATOM 61 O ASN A 17 -8.185 -9.040 3.706 1.00 0.00 O ATOM 62 CB ASN A 17 -10.215 -10.968 3.884 1.00 0.00 C ATOM 63 CG ASN A 17 -10.083 -11.871 2.671 1.00 0.00 C ATOM 64 OD1 ASN A 17 -9.127 -12.638 2.552 1.00 0.00 O ATOM 65 ND2 ASN A 17 -11.041 -11.789 1.761 1.00 0.00 N ATOM 0 H ASN A 17 -10.196 -10.155 6.263 1.00 0.00 H new ATOM 0 HA ASN A 17 -8.601 -12.054 4.790 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.099 -11.255 4.453 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.367 -9.940 3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.003 -12.374 0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.817 -11.141 1.895 1.00 0.00 H new ATOM 72 N ILE A 18 -6.654 -10.510 4.443 1.00 0.00 N ATOM 73 CA ILE A 18 -5.518 -9.735 3.976 1.00 0.00 C ATOM 74 C ILE A 18 -4.866 -10.404 2.772 1.00 0.00 C ATOM 75 O ILE A 18 -4.866 -11.633 2.652 1.00 0.00 O ATOM 76 CB ILE A 18 -4.455 -9.547 5.083 1.00 0.00 C ATOM 77 CG1 ILE A 18 -4.347 -10.805 5.952 1.00 0.00 C ATOM 78 CG2 ILE A 18 -4.789 -8.335 5.936 1.00 0.00 C ATOM 79 CD1 ILE A 18 -3.052 -11.568 5.757 1.00 0.00 C ATOM 0 H ILE A 18 -6.404 -11.379 4.915 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.902 -8.755 3.691 1.00 0.00 H new ATOM 0 HB ILE A 18 -3.489 -9.380 4.607 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -4.437 -10.521 7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.185 -11.465 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.032 -8.216 6.711 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.810 -7.444 5.309 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.765 -8.475 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.046 -12.445 6.404 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.968 -11.883 4.717 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -2.209 -10.925 6.010 1.00 0.00 H new ATOM 91 N ALA A 19 -4.330 -9.587 1.880 1.00 0.00 N ATOM 92 CA ALA A 19 -3.614 -10.074 0.715 1.00 0.00 C ATOM 93 C ALA A 19 -2.188 -9.551 0.733 1.00 0.00 C ATOM 94 O ALA A 19 -1.962 -8.344 0.629 1.00 0.00 O ATOM 95 CB ALA A 19 -4.321 -9.651 -0.566 1.00 0.00 C ATOM 0 H ALA A 19 -4.379 -8.570 1.944 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.593 -11.163 0.745 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.768 -10.026 -1.427 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.331 -10.061 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.370 -8.563 -0.612 1.00 0.00 H new ATOM 101 N THR A 20 -1.236 -10.456 0.882 1.00 0.00 N ATOM 102 CA THR A 20 0.162 -10.082 0.987 1.00 0.00 C ATOM 103 C THR A 20 0.786 -9.812 -0.383 1.00 0.00 C ATOM 104 O THR A 20 1.142 -10.740 -1.114 1.00 0.00 O ATOM 105 CB THR A 20 0.962 -11.182 1.706 1.00 0.00 C ATOM 106 OG1 THR A 20 0.149 -11.776 2.729 1.00 0.00 O ATOM 107 CG2 THR A 20 2.231 -10.616 2.323 1.00 0.00 C ATOM 0 H THR A 20 -1.408 -11.460 0.933 1.00 0.00 H new ATOM 0 HA THR A 20 0.203 -9.160 1.567 1.00 0.00 H new ATOM 0 HB THR A 20 1.245 -11.939 0.974 1.00 0.00 H new ATOM 0 HG1 THR A 20 -0.364 -11.077 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.778 -11.414 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.855 -10.185 1.540 1.00 0.00 H new ATOM 0 HG23 THR A 20 1.971 -9.843 3.046 1.00 0.00 H new ATOM 115 N TYR A 21 0.905 -8.535 -0.722 1.00 0.00 N ATOM 116 CA TYR A 21 1.614 -8.115 -1.925 1.00 0.00 C ATOM 117 C TYR A 21 3.103 -8.315 -1.703 1.00 0.00 C ATOM 118 O TYR A 21 3.696 -7.642 -0.865 1.00 0.00 O ATOM 119 CB TYR A 21 1.372 -6.631 -2.228 1.00 0.00 C ATOM 120 CG TYR A 21 -0.045 -6.243 -2.602 1.00 0.00 C ATOM 121 CD1 TYR A 21 -1.149 -6.975 -2.180 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.272 -5.107 -3.369 1.00 0.00 C ATOM 123 CE1 TYR A 21 -2.433 -6.589 -2.518 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.550 -4.712 -3.704 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.625 -5.453 -3.278 1.00 0.00 C ATOM 126 OH TYR A 21 -3.900 -5.046 -3.602 1.00 0.00 O ATOM 0 H TYR A 21 0.516 -7.766 -0.176 1.00 0.00 H new ATOM 0 HA TYR A 21 1.249 -8.709 -2.763 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.666 -6.051 -1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.034 -6.336 -3.043 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.001 -7.860 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.569 -4.522 -3.710 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.280 -7.173 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.705 -3.824 -4.299 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.115 -4.225 -3.113 1.00 0.00 H new ATOM 136 N THR A 22 3.707 -9.235 -2.429 1.00 0.00 N ATOM 137 CA THR A 22 5.120 -9.508 -2.245 1.00 0.00 C ATOM 138 C THR A 22 5.922 -9.109 -3.480 1.00 0.00 C ATOM 139 O THR A 22 6.384 -9.959 -4.242 1.00 0.00 O ATOM 140 CB THR A 22 5.357 -10.991 -1.926 1.00 0.00 C ATOM 141 OG1 THR A 22 4.138 -11.595 -1.469 1.00 0.00 O ATOM 142 CG2 THR A 22 6.439 -11.149 -0.868 1.00 0.00 C ATOM 0 H THR A 22 3.249 -9.800 -3.144 1.00 0.00 H new ATOM 0 HA THR A 22 5.461 -8.909 -1.400 1.00 0.00 H new ATOM 0 HB THR A 22 5.688 -11.490 -2.837 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.297 -12.541 -1.269 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.590 -12.208 -0.658 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.370 -10.715 -1.232 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.133 -10.638 0.045 1.00 0.00 H new ATOM 150 N GLY A 23 6.075 -7.808 -3.672 1.00 0.00 N ATOM 151 CA GLY A 23 6.803 -7.302 -4.819 1.00 0.00 C ATOM 152 C GLY A 23 8.263 -7.057 -4.501 1.00 0.00 C ATOM 153 O GLY A 23 8.640 -6.964 -3.331 1.00 0.00 O ATOM 0 H GLY A 23 5.706 -7.089 -3.050 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.725 -8.014 -5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.345 -6.373 -5.158 1.00 0.00 H new ATOM 157 N THR A 24 9.083 -6.957 -5.535 1.00 0.00 N ATOM 158 CA THR A 24 10.510 -6.742 -5.360 1.00 0.00 C ATOM 159 C THR A 24 10.905 -5.316 -5.746 1.00 0.00 C ATOM 160 O THR A 24 10.636 -4.862 -6.861 1.00 0.00 O ATOM 161 CB THR A 24 11.318 -7.750 -6.197 1.00 0.00 C ATOM 162 OG1 THR A 24 10.437 -8.755 -6.724 1.00 0.00 O ATOM 163 CG2 THR A 24 12.401 -8.409 -5.357 1.00 0.00 C ATOM 0 H THR A 24 8.783 -7.022 -6.508 1.00 0.00 H new ATOM 0 HA THR A 24 10.738 -6.891 -4.305 1.00 0.00 H new ATOM 0 HB THR A 24 11.796 -7.213 -7.016 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.953 -9.395 -7.258 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.958 -9.117 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.080 -7.647 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.942 -8.937 -4.521 1.00 0.00 H new ATOM 171 N ILE A 25 11.539 -4.621 -4.813 1.00 0.00 N ATOM 172 CA ILE A 25 11.957 -3.245 -5.020 1.00 0.00 C ATOM 173 C ILE A 25 13.475 -3.174 -5.186 1.00 0.00 C ATOM 174 O ILE A 25 14.202 -4.043 -4.694 1.00 0.00 O ATOM 175 CB ILE A 25 11.502 -2.345 -3.841 1.00 0.00 C ATOM 176 CG1 ILE A 25 11.765 -0.867 -4.148 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.192 -2.756 -2.548 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.328 0.073 -3.045 1.00 0.00 C ATOM 0 H ILE A 25 11.777 -4.995 -3.894 1.00 0.00 H new ATOM 0 HA ILE A 25 11.484 -2.877 -5.931 1.00 0.00 H new ATOM 0 HB ILE A 25 10.428 -2.479 -3.711 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.830 -0.727 -4.331 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.246 -0.599 -5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.857 -2.111 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.942 -3.791 -2.315 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.271 -2.661 -2.665 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.547 1.101 -3.335 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.257 -0.037 -2.877 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.866 -0.167 -2.128 1.00 0.00 H new ATOM 190 N GLN A 26 13.944 -2.155 -5.899 1.00 0.00 N ATOM 191 CA GLN A 26 15.370 -1.966 -6.126 1.00 0.00 C ATOM 192 C GLN A 26 16.029 -1.356 -4.894 1.00 0.00 C ATOM 193 O GLN A 26 15.359 -1.039 -3.913 1.00 0.00 O ATOM 194 CB GLN A 26 15.600 -1.070 -7.348 1.00 0.00 C ATOM 195 CG GLN A 26 16.805 -1.470 -8.189 1.00 0.00 C ATOM 196 CD GLN A 26 16.981 -2.973 -8.291 1.00 0.00 C ATOM 197 OE1 GLN A 26 16.096 -3.682 -8.769 1.00 0.00 O ATOM 198 NE2 GLN A 26 18.123 -3.471 -7.842 1.00 0.00 N ATOM 0 H GLN A 26 13.353 -1.445 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 26 15.822 -2.940 -6.316 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.709 -1.092 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.729 -0.041 -7.013 1.00 0.00 H new ATOM 0 HG2 GLN A 26 16.697 -1.053 -9.190 1.00 0.00 H new ATOM 0 HG3 GLN A 26 17.705 -1.032 -7.757 1.00 0.00 H new ATOM 0 HE21 GLN A 26 18.832 -2.850 -7.453 1.00 0.00 H new ATOM 0 HE22 GLN A 26 18.293 -4.476 -7.886 1.00 0.00 H new ATOM 207 N GLY A 27 17.340 -1.189 -4.952 1.00 0.00 N ATOM 208 CA GLY A 27 18.067 -0.661 -3.822 1.00 0.00 C ATOM 209 C GLY A 27 17.875 0.831 -3.642 1.00 0.00 C ATOM 210 O GLY A 27 18.110 1.607 -4.572 1.00 0.00 O ATOM 0 H GLY A 27 17.914 -1.411 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.745 -1.175 -2.917 1.00 0.00 H new ATOM 0 HA3 GLY A 27 19.129 -0.873 -3.948 1.00 0.00 H new ATOM 214 N LYS A 28 17.457 1.220 -2.437 1.00 0.00 N ATOM 215 CA LYS A 28 17.263 2.626 -2.072 1.00 0.00 C ATOM 216 C LYS A 28 16.304 3.323 -3.036 1.00 0.00 C ATOM 217 O LYS A 28 16.594 4.409 -3.549 1.00 0.00 O ATOM 218 CB LYS A 28 18.604 3.375 -2.024 1.00 0.00 C ATOM 219 CG LYS A 28 19.771 2.525 -1.545 1.00 0.00 C ATOM 220 CD LYS A 28 20.086 2.772 -0.082 1.00 0.00 C ATOM 221 CE LYS A 28 21.393 2.108 0.318 1.00 0.00 C ATOM 222 NZ LYS A 28 22.549 3.028 0.168 1.00 0.00 N ATOM 0 H LYS A 28 17.242 0.567 -1.683 1.00 0.00 H new ATOM 0 HA LYS A 28 16.820 2.645 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 28 18.831 3.757 -3.019 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.503 4.238 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.537 1.471 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 28 20.652 2.744 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 28 20.148 3.844 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 28 19.275 2.388 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 28 21.328 1.772 1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 28 21.553 1.221 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 23.422 2.538 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 22.627 3.329 -0.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 22.409 3.863 0.773 1.00 0.00 H new ATOM 236 N GLY A 29 15.163 2.696 -3.272 1.00 0.00 N ATOM 237 CA GLY A 29 14.184 3.252 -4.178 1.00 0.00 C ATOM 238 C GLY A 29 12.873 3.567 -3.487 1.00 0.00 C ATOM 239 O GLY A 29 12.714 3.305 -2.294 1.00 0.00 O ATOM 0 H GLY A 29 14.897 1.807 -2.849 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.583 4.162 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.004 2.548 -4.991 1.00 0.00 H new ATOM 243 N GLU A 30 11.941 4.130 -4.240 1.00 0.00 N ATOM 244 CA GLU A 30 10.623 4.468 -3.720 1.00 0.00 C ATOM 245 C GLU A 30 9.593 4.411 -4.845 1.00 0.00 C ATOM 246 O GLU A 30 9.621 5.219 -5.776 1.00 0.00 O ATOM 247 CB GLU A 30 10.630 5.857 -3.075 1.00 0.00 C ATOM 248 CG GLU A 30 11.485 6.876 -3.810 1.00 0.00 C ATOM 249 CD GLU A 30 11.000 8.295 -3.604 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.090 8.731 -4.339 1.00 0.00 O ATOM 251 OE2 GLU A 30 11.522 8.980 -2.701 1.00 0.00 O ATOM 0 H GLU A 30 12.074 4.365 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 30 10.356 3.741 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.606 6.227 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.989 5.768 -2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 30 12.517 6.795 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.484 6.646 -4.875 1.00 0.00 H new ATOM 258 N VAL A 31 8.677 3.464 -4.752 1.00 0.00 N ATOM 259 CA VAL A 31 7.747 3.194 -5.843 1.00 0.00 C ATOM 260 C VAL A 31 6.300 3.343 -5.393 1.00 0.00 C ATOM 261 O VAL A 31 5.953 3.041 -4.252 1.00 0.00 O ATOM 262 CB VAL A 31 8.002 1.774 -6.424 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.429 0.811 -5.327 1.00 0.00 C ATOM 264 CG2 VAL A 31 6.788 1.221 -7.154 1.00 0.00 C ATOM 0 H VAL A 31 8.554 2.867 -3.934 1.00 0.00 H new ATOM 0 HA VAL A 31 7.921 3.931 -6.627 1.00 0.00 H new ATOM 0 HB VAL A 31 8.808 1.873 -7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.602 -0.176 -5.756 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.348 1.171 -4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.644 0.747 -4.574 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.017 0.228 -7.541 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.947 1.156 -6.464 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.529 1.882 -7.981 1.00 0.00 H new ATOM 274 N CYS A 32 5.484 3.842 -6.308 1.00 0.00 N ATOM 275 CA CYS A 32 4.071 4.076 -6.075 1.00 0.00 C ATOM 276 C CYS A 32 3.253 2.816 -6.362 1.00 0.00 C ATOM 277 O CYS A 32 3.241 2.318 -7.489 1.00 0.00 O ATOM 278 CB CYS A 32 3.616 5.213 -6.988 1.00 0.00 C ATOM 279 SG CYS A 32 4.972 5.940 -7.976 1.00 0.00 S ATOM 0 H CYS A 32 5.791 4.099 -7.246 1.00 0.00 H new ATOM 0 HA CYS A 32 3.915 4.342 -5.030 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.845 4.841 -7.662 1.00 0.00 H new ATOM 0 HB3 CYS A 32 3.159 5.995 -6.382 1.00 0.00 H new ATOM 284 N ILE A 33 2.596 2.294 -5.338 1.00 0.00 N ATOM 285 CA ILE A 33 1.761 1.112 -5.487 1.00 0.00 C ATOM 286 C ILE A 33 0.358 1.384 -4.951 1.00 0.00 C ATOM 287 O ILE A 33 0.199 2.071 -3.947 1.00 0.00 O ATOM 288 CB ILE A 33 2.358 -0.099 -4.727 1.00 0.00 C ATOM 289 CG1 ILE A 33 3.841 -0.290 -5.080 1.00 0.00 C ATOM 290 CG2 ILE A 33 1.566 -1.369 -5.020 1.00 0.00 C ATOM 291 CD1 ILE A 33 4.081 -0.984 -6.407 1.00 0.00 C ATOM 0 H ILE A 33 2.625 2.672 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 33 1.716 0.877 -6.550 1.00 0.00 H new ATOM 0 HB ILE A 33 2.287 0.106 -3.659 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.326 0.686 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.319 -0.868 -4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.004 -2.205 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.531 -1.233 -4.705 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.595 -1.578 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.153 -1.079 -6.579 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.628 -1.975 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.635 -0.398 -7.210 1.00 0.00 H new ATOM 303 N ILE A 34 -0.651 0.876 -5.641 1.00 0.00 N ATOM 304 CA ILE A 34 -2.019 0.891 -5.130 1.00 0.00 C ATOM 305 C ILE A 34 -2.814 -0.237 -5.785 1.00 0.00 C ATOM 306 O ILE A 34 -3.563 -0.044 -6.744 1.00 0.00 O ATOM 307 CB ILE A 34 -2.721 2.266 -5.323 1.00 0.00 C ATOM 308 CG1 ILE A 34 -4.196 2.196 -4.899 1.00 0.00 C ATOM 309 CG2 ILE A 34 -2.602 2.750 -6.758 1.00 0.00 C ATOM 310 CD1 ILE A 34 -4.399 1.970 -3.416 1.00 0.00 C ATOM 0 H ILE A 34 -0.551 0.446 -6.560 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.977 0.730 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.213 2.986 -4.681 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.691 3.124 -5.186 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.684 1.391 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.103 3.713 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.549 2.859 -7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.069 2.026 -7.426 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -5.466 1.933 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.935 1.028 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.942 2.787 -2.858 1.00 0.00 H new ATOM 322 N GLY A 35 -2.612 -1.436 -5.267 1.00 0.00 N ATOM 323 CA GLY A 35 -3.205 -2.606 -5.867 1.00 0.00 C ATOM 324 C GLY A 35 -2.274 -3.224 -6.884 1.00 0.00 C ATOM 325 O GLY A 35 -1.411 -2.540 -7.432 1.00 0.00 O ATOM 0 H GLY A 35 -2.046 -1.619 -4.439 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.440 -3.336 -5.093 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.146 -2.336 -6.347 1.00 0.00 H new ATOM 329 N ASN A 36 -2.430 -4.512 -7.131 1.00 0.00 N ATOM 330 CA ASN A 36 -1.576 -5.208 -8.082 1.00 0.00 C ATOM 331 C ASN A 36 -2.268 -5.314 -9.435 1.00 0.00 C ATOM 332 O ASN A 36 -3.501 -5.282 -9.516 1.00 0.00 O ATOM 333 CB ASN A 36 -1.220 -6.601 -7.559 1.00 0.00 C ATOM 334 CG ASN A 36 0.277 -6.788 -7.369 1.00 0.00 C ATOM 335 OD1 ASN A 36 1.084 -5.990 -7.845 1.00 0.00 O ATOM 336 ND2 ASN A 36 0.658 -7.843 -6.666 1.00 0.00 N ATOM 0 H ASN A 36 -3.138 -5.098 -6.688 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.656 -4.637 -8.204 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.727 -6.769 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.591 -7.353 -8.256 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.650 -8.016 -6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.040 -8.483 -6.287 1.00 0.00 H new ATOM 343 N LYS A 37 -1.483 -5.423 -10.497 1.00 0.00 N ATOM 344 CA LYS A 37 -2.028 -5.576 -11.839 1.00 0.00 C ATOM 345 C LYS A 37 -2.416 -7.029 -12.092 1.00 0.00 C ATOM 346 O LYS A 37 -1.893 -7.686 -12.994 1.00 0.00 O ATOM 347 CB LYS A 37 -1.011 -5.104 -12.882 1.00 0.00 C ATOM 348 CG LYS A 37 -1.635 -4.353 -14.048 1.00 0.00 C ATOM 349 CD LYS A 37 -2.088 -2.961 -13.637 1.00 0.00 C ATOM 350 CE LYS A 37 -3.400 -2.585 -14.303 1.00 0.00 C ATOM 351 NZ LYS A 37 -4.459 -2.279 -13.305 1.00 0.00 N ATOM 0 H LYS A 37 -0.464 -5.408 -10.455 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.923 -4.960 -11.924 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.278 -4.459 -12.396 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.470 -5.969 -13.266 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.913 -4.276 -14.861 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.487 -4.916 -14.430 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.203 -2.919 -12.554 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.321 -2.234 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.246 -1.719 -14.946 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.730 -3.403 -14.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.326 -2.800 -13.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.137 -2.565 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.656 -1.258 -13.310 1.00 0.00 H new ATOM 365 N GLU A 38 -3.330 -7.527 -11.269 1.00 0.00 N ATOM 366 CA GLU A 38 -3.792 -8.903 -11.373 1.00 0.00 C ATOM 367 C GLU A 38 -5.202 -8.959 -11.945 1.00 0.00 C ATOM 368 O GLU A 38 -5.555 -9.890 -12.665 1.00 0.00 O ATOM 369 CB GLU A 38 -3.769 -9.573 -9.998 1.00 0.00 C ATOM 370 CG GLU A 38 -2.384 -9.644 -9.378 1.00 0.00 C ATOM 371 CD GLU A 38 -2.087 -10.987 -8.742 1.00 0.00 C ATOM 372 OE1 GLU A 38 -2.915 -11.914 -8.865 1.00 0.00 O ATOM 373 OE2 GLU A 38 -1.017 -11.124 -8.112 1.00 0.00 O ATOM 0 H GLU A 38 -3.768 -6.994 -10.518 1.00 0.00 H new ATOM 0 HA GLU A 38 -3.120 -9.436 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.431 -9.027 -9.326 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.169 -10.583 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.638 -9.439 -10.145 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.289 -8.862 -8.624 1.00 0.00 H new ATOM 380 N GLY A 39 -6.008 -7.956 -11.616 1.00 0.00 N ATOM 381 CA GLY A 39 -7.390 -7.945 -12.058 1.00 0.00 C ATOM 382 C GLY A 39 -8.266 -8.832 -11.197 1.00 0.00 C ATOM 383 O GLY A 39 -9.390 -9.166 -11.571 1.00 0.00 O ATOM 0 H GLY A 39 -5.730 -7.152 -11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.771 -6.924 -12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.442 -8.279 -13.094 1.00 0.00 H new ATOM 387 N LYS A 40 -7.744 -9.215 -10.040 1.00 0.00 N ATOM 388 CA LYS A 40 -8.466 -10.068 -9.110 1.00 0.00 C ATOM 389 C LYS A 40 -8.218 -9.611 -7.677 1.00 0.00 C ATOM 390 O LYS A 40 -9.115 -9.084 -7.020 1.00 0.00 O ATOM 391 CB LYS A 40 -8.032 -11.527 -9.288 1.00 0.00 C ATOM 392 CG LYS A 40 -8.899 -12.527 -8.539 1.00 0.00 C ATOM 393 CD LYS A 40 -10.346 -12.477 -9.006 1.00 0.00 C ATOM 394 CE LYS A 40 -10.667 -13.606 -9.974 1.00 0.00 C ATOM 395 NZ LYS A 40 -11.997 -14.212 -9.702 1.00 0.00 N ATOM 0 H LYS A 40 -6.813 -8.944 -9.722 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.533 -9.994 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.047 -11.773 -10.350 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.001 -11.632 -8.951 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -8.504 -13.532 -8.685 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.854 -12.319 -7.470 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.009 -12.539 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.539 -11.519 -9.488 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.644 -13.225 -10.995 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.897 -14.374 -9.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.176 -14.977 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.011 -14.599 -8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.735 -13.485 -9.795 1.00 0.00 H new ATOM 409 N THR A 41 -6.996 -9.807 -7.206 1.00 0.00 N ATOM 410 CA THR A 41 -6.606 -9.398 -5.866 1.00 0.00 C ATOM 411 C THR A 41 -6.458 -7.879 -5.771 1.00 0.00 C ATOM 412 O THR A 41 -5.366 -7.336 -5.947 1.00 0.00 O ATOM 413 CB THR A 41 -5.277 -10.067 -5.475 1.00 0.00 C ATOM 414 OG1 THR A 41 -4.904 -11.010 -6.494 1.00 0.00 O ATOM 415 CG2 THR A 41 -5.396 -10.774 -4.132 1.00 0.00 C ATOM 0 H THR A 41 -6.250 -10.252 -7.740 1.00 0.00 H new ATOM 0 HA THR A 41 -7.392 -9.713 -5.179 1.00 0.00 H new ATOM 0 HB THR A 41 -4.511 -9.297 -5.384 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.057 -11.437 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.443 -11.238 -3.880 1.00 0.00 H new ATOM 0 HG22 THR A 41 -5.662 -10.050 -3.362 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.168 -11.541 -4.192 1.00 0.00 H new ATOM 423 N ARG A 42 -7.564 -7.194 -5.510 1.00 0.00 N ATOM 424 CA ARG A 42 -7.543 -5.746 -5.389 1.00 0.00 C ATOM 425 C ARG A 42 -7.742 -5.312 -3.940 1.00 0.00 C ATOM 426 O ARG A 42 -8.871 -5.178 -3.460 1.00 0.00 O ATOM 427 CB ARG A 42 -8.618 -5.115 -6.274 1.00 0.00 C ATOM 428 CG ARG A 42 -8.083 -4.057 -7.230 1.00 0.00 C ATOM 429 CD ARG A 42 -7.823 -2.733 -6.524 1.00 0.00 C ATOM 430 NE ARG A 42 -9.065 -2.080 -6.109 1.00 0.00 N ATOM 431 CZ ARG A 42 -9.780 -1.271 -6.894 1.00 0.00 C ATOM 432 NH1 ARG A 42 -9.356 -0.968 -8.110 1.00 0.00 N ATOM 433 NH2 ARG A 42 -10.916 -0.752 -6.455 1.00 0.00 N ATOM 0 H ARG A 42 -8.482 -7.618 -5.379 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.564 -5.401 -5.721 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.107 -5.900 -6.852 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.381 -4.665 -5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.159 -4.413 -7.685 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.798 -3.903 -8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.195 -2.905 -5.650 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.270 -2.070 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 42 -9.405 -2.253 -5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -8.477 -1.353 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.909 -0.349 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.247 -0.970 -5.515 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.461 -0.134 -7.057 1.00 0.00 H new ATOM 447 N GLY A 43 -6.636 -5.091 -3.253 1.00 0.00 N ATOM 448 CA GLY A 43 -6.690 -4.563 -1.907 1.00 0.00 C ATOM 449 C GLY A 43 -6.809 -3.053 -1.917 1.00 0.00 C ATOM 450 O GLY A 43 -5.810 -2.346 -1.797 1.00 0.00 O ATOM 0 H GLY A 43 -5.695 -5.269 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.540 -4.994 -1.378 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.793 -4.856 -1.362 1.00 0.00 H new ATOM 454 N GLY A 44 -8.028 -2.565 -2.092 1.00 0.00 N ATOM 455 CA GLY A 44 -8.251 -1.135 -2.171 1.00 0.00 C ATOM 456 C GLY A 44 -8.864 -0.575 -0.906 1.00 0.00 C ATOM 457 O GLY A 44 -10.040 -0.813 -0.624 1.00 0.00 O ATOM 0 H GLY A 44 -8.869 -3.135 -2.181 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.303 -0.633 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.906 -0.918 -3.015 1.00 0.00 H new ATOM 461 N GLU A 45 -8.061 0.157 -0.150 1.00 0.00 N ATOM 462 CA GLU A 45 -8.508 0.787 1.083 1.00 0.00 C ATOM 463 C GLU A 45 -7.446 1.769 1.563 1.00 0.00 C ATOM 464 O GLU A 45 -6.599 2.197 0.782 1.00 0.00 O ATOM 465 CB GLU A 45 -8.770 -0.267 2.159 1.00 0.00 C ATOM 466 CG GLU A 45 -9.997 0.024 3.006 1.00 0.00 C ATOM 467 CD GLU A 45 -10.445 -1.175 3.808 1.00 0.00 C ATOM 468 OE1 GLU A 45 -9.591 -1.820 4.448 1.00 0.00 O ATOM 469 OE2 GLU A 45 -11.657 -1.476 3.798 1.00 0.00 O ATOM 0 H GLU A 45 -7.081 0.331 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.439 1.321 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.890 -1.240 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.898 -0.336 2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.779 0.849 3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.812 0.349 2.359 1.00 0.00 H new ATOM 476 N LEU A 46 -7.493 2.119 2.841 1.00 0.00 N ATOM 477 CA LEU A 46 -6.490 2.985 3.435 1.00 0.00 C ATOM 478 C LEU A 46 -5.801 2.259 4.584 1.00 0.00 C ATOM 479 O LEU A 46 -5.282 2.881 5.511 1.00 0.00 O ATOM 480 CB LEU A 46 -7.123 4.287 3.931 1.00 0.00 C ATOM 481 CG LEU A 46 -6.887 5.516 3.044 1.00 0.00 C ATOM 482 CD1 LEU A 46 -5.575 5.398 2.287 1.00 0.00 C ATOM 483 CD2 LEU A 46 -8.042 5.700 2.074 1.00 0.00 C ATOM 0 H LEU A 46 -8.220 1.813 3.488 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.750 3.237 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.198 4.133 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.738 4.501 4.928 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.829 6.392 3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.432 6.282 1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.752 5.316 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.598 4.510 1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.859 6.576 1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.129 4.817 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.968 5.839 2.633 1.00 0.00 H new ATOM 495 N TYR A 47 -5.821 0.934 4.516 1.00 0.00 N ATOM 496 CA TYR A 47 -5.161 0.104 5.511 1.00 0.00 C ATOM 497 C TYR A 47 -4.128 -0.789 4.841 1.00 0.00 C ATOM 498 O TYR A 47 -4.453 -1.566 3.944 1.00 0.00 O ATOM 499 CB TYR A 47 -6.178 -0.753 6.276 1.00 0.00 C ATOM 500 CG TYR A 47 -5.542 -1.765 7.212 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.664 -1.362 8.210 1.00 0.00 C ATOM 502 CD2 TYR A 47 -5.817 -3.123 7.093 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.080 -2.279 9.064 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.239 -4.049 7.945 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.371 -3.620 8.928 1.00 0.00 C ATOM 506 OH TYR A 47 -3.793 -4.538 9.782 1.00 0.00 O ATOM 0 H TYR A 47 -6.290 0.410 3.777 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.662 0.759 6.225 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.831 -0.098 6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.808 -1.280 5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.433 -0.313 8.321 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.494 -3.461 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.399 -1.947 9.834 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.466 -5.100 7.841 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.103 -5.439 9.553 1.00 0.00 H new ATOM 516 N ALA A 48 -2.888 -0.664 5.273 1.00 0.00 N ATOM 517 CA ALA A 48 -1.807 -1.468 4.737 1.00 0.00 C ATOM 518 C ALA A 48 -0.743 -1.701 5.800 1.00 0.00 C ATOM 519 O ALA A 48 -0.110 -0.758 6.272 1.00 0.00 O ATOM 520 CB ALA A 48 -1.202 -0.789 3.514 1.00 0.00 C ATOM 0 H ALA A 48 -2.603 -0.008 6.000 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.207 -2.435 4.434 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.391 -1.403 3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.969 -0.667 2.749 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.813 0.189 3.796 1.00 0.00 H new ATOM 526 N VAL A 49 -0.566 -2.951 6.200 1.00 0.00 N ATOM 527 CA VAL A 49 0.476 -3.284 7.154 1.00 0.00 C ATOM 528 C VAL A 49 1.701 -3.814 6.415 1.00 0.00 C ATOM 529 O VAL A 49 1.696 -4.917 5.861 1.00 0.00 O ATOM 530 CB VAL A 49 -0.005 -4.286 8.237 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.856 -5.393 7.639 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.173 -4.859 9.012 1.00 0.00 C ATOM 0 H VAL A 49 -1.125 -3.743 5.882 1.00 0.00 H new ATOM 0 HA VAL A 49 0.745 -2.371 7.685 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.634 -3.734 8.936 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.174 -6.074 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.733 -4.959 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.272 -5.941 6.899 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.808 -5.558 9.764 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.841 -5.380 8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.715 -4.050 9.501 1.00 0.00 H new ATOM 542 N LEU A 50 2.741 -2.996 6.385 1.00 0.00 N ATOM 543 CA LEU A 50 3.949 -3.315 5.644 1.00 0.00 C ATOM 544 C LEU A 50 4.874 -4.202 6.467 1.00 0.00 C ATOM 545 O LEU A 50 5.188 -3.887 7.613 1.00 0.00 O ATOM 546 CB LEU A 50 4.683 -2.022 5.249 1.00 0.00 C ATOM 547 CG LEU A 50 5.543 -2.090 3.979 1.00 0.00 C ATOM 548 CD1 LEU A 50 7.005 -2.316 4.331 1.00 0.00 C ATOM 549 CD2 LEU A 50 5.048 -3.178 3.039 1.00 0.00 C ATOM 0 H LEU A 50 2.771 -2.099 6.870 1.00 0.00 H new ATOM 0 HA LEU A 50 3.662 -3.857 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.942 -1.234 5.119 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.322 -1.724 6.080 1.00 0.00 H new ATOM 0 HG LEU A 50 5.455 -1.133 3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.597 -2.361 3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.361 -1.495 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.107 -3.255 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.676 -3.203 2.148 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.095 -4.143 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.018 -2.969 2.751 1.00 0.00 H new ATOM 561 N HIS A 51 5.280 -5.319 5.881 1.00 0.00 N ATOM 562 CA HIS A 51 6.309 -6.172 6.464 1.00 0.00 C ATOM 563 C HIS A 51 7.491 -6.234 5.507 1.00 0.00 C ATOM 564 O HIS A 51 7.376 -5.834 4.348 1.00 0.00 O ATOM 565 CB HIS A 51 5.816 -7.605 6.710 1.00 0.00 C ATOM 566 CG HIS A 51 4.378 -7.749 7.123 1.00 0.00 C ATOM 567 ND1 HIS A 51 3.943 -7.633 8.426 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.281 -8.056 6.394 1.00 0.00 C ATOM 569 CE1 HIS A 51 2.645 -7.871 8.473 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.219 -8.129 7.254 1.00 0.00 N ATOM 0 H HIS A 51 4.909 -5.659 4.994 1.00 0.00 H new ATOM 0 HA HIS A 51 6.586 -5.741 7.426 1.00 0.00 H new ATOM 0 HB2 HIS A 51 5.970 -8.182 5.798 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.441 -8.055 7.481 1.00 0.00 H new ATOM 0 HD1 HIS A 51 4.531 -7.400 9.227 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.249 -8.215 5.326 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.034 -7.856 9.364 1.00 0.00 H new ATOM 579 N SER A 52 8.620 -6.736 5.977 1.00 0.00 N ATOM 580 CA SER A 52 9.780 -6.914 5.120 1.00 0.00 C ATOM 581 C SER A 52 10.552 -8.165 5.517 1.00 0.00 C ATOM 582 O SER A 52 11.402 -8.129 6.405 1.00 0.00 O ATOM 583 CB SER A 52 10.690 -5.685 5.189 1.00 0.00 C ATOM 584 OG SER A 52 9.954 -4.494 4.960 1.00 0.00 O ATOM 0 H SER A 52 8.758 -7.027 6.945 1.00 0.00 H new ATOM 0 HA SER A 52 9.433 -7.033 4.094 1.00 0.00 H new ATOM 0 HB2 SER A 52 11.170 -5.638 6.167 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.484 -5.774 4.448 1.00 0.00 H new ATOM 0 HG SER A 52 9.951 -4.290 4.001 1.00 0.00 H new ATOM 590 N THR A 53 10.243 -9.275 4.866 1.00 0.00 N ATOM 591 CA THR A 53 10.915 -10.529 5.159 1.00 0.00 C ATOM 592 C THR A 53 12.011 -10.812 4.122 1.00 0.00 C ATOM 593 O THR A 53 11.858 -11.633 3.214 1.00 0.00 O ATOM 594 CB THR A 53 9.900 -11.700 5.267 1.00 0.00 C ATOM 595 OG1 THR A 53 10.567 -12.927 5.593 1.00 0.00 O ATOM 596 CG2 THR A 53 9.091 -11.871 3.986 1.00 0.00 C ATOM 0 H THR A 53 9.534 -9.333 4.135 1.00 0.00 H new ATOM 0 HA THR A 53 11.399 -10.439 6.131 1.00 0.00 H new ATOM 0 HB THR A 53 9.208 -11.448 6.070 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.909 -13.650 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.393 -12.700 4.104 1.00 0.00 H new ATOM 0 HG22 THR A 53 8.535 -10.956 3.782 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.765 -12.079 3.155 1.00 0.00 H new ATOM 604 N ASN A 54 13.125 -10.101 4.269 1.00 0.00 N ATOM 605 CA ASN A 54 14.260 -10.236 3.364 1.00 0.00 C ATOM 606 C ASN A 54 15.470 -9.497 3.933 1.00 0.00 C ATOM 607 O ASN A 54 15.389 -8.928 5.024 1.00 0.00 O ATOM 608 CB ASN A 54 13.895 -9.712 1.963 1.00 0.00 C ATOM 609 CG ASN A 54 14.345 -8.284 1.703 1.00 0.00 C ATOM 610 OD1 ASN A 54 15.305 -8.054 0.972 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.640 -7.320 2.277 1.00 0.00 N ATOM 0 H ASN A 54 13.265 -9.419 5.014 1.00 0.00 H new ATOM 0 HA ASN A 54 14.517 -11.291 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.342 -10.365 1.214 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.814 -9.771 1.834 1.00 0.00 H new ATOM 0 HD21 ASN A 54 13.888 -6.343 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 54 12.850 -7.555 2.877 1.00 0.00 H new ATOM 618 N VAL A 55 16.581 -9.527 3.199 1.00 0.00 N ATOM 619 CA VAL A 55 17.814 -8.852 3.609 1.00 0.00 C ATOM 620 C VAL A 55 17.568 -7.389 3.927 1.00 0.00 C ATOM 621 O VAL A 55 16.927 -6.679 3.150 1.00 0.00 O ATOM 622 CB VAL A 55 18.902 -8.903 2.518 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.284 -8.903 3.149 1.00 0.00 C ATOM 624 CG2 VAL A 55 18.718 -10.110 1.612 1.00 0.00 C ATOM 0 H VAL A 55 16.653 -10.017 2.307 1.00 0.00 H new ATOM 0 HA VAL A 55 18.154 -9.388 4.495 1.00 0.00 H new ATOM 0 HB VAL A 55 18.805 -8.011 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.041 -8.939 2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.415 -7.996 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.389 -9.774 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 55 19.500 -10.118 0.853 1.00 0.00 H new ATOM 0 HG22 VAL A 55 18.778 -11.023 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.743 -10.056 1.127 1.00 0.00 H new ATOM 634 N ASN A 56 18.103 -6.950 5.063 1.00 0.00 N ATOM 635 CA ASN A 56 18.036 -5.562 5.470 1.00 0.00 C ATOM 636 C ASN A 56 16.603 -5.050 5.433 1.00 0.00 C ATOM 637 O ASN A 56 16.236 -4.266 4.553 1.00 0.00 O ATOM 638 CB ASN A 56 18.932 -4.711 4.573 1.00 0.00 C ATOM 639 CG ASN A 56 19.446 -3.488 5.290 1.00 0.00 C ATOM 640 OD1 ASN A 56 20.285 -3.578 6.183 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.944 -2.338 4.902 1.00 0.00 N ATOM 0 H ASN A 56 18.594 -7.552 5.723 1.00 0.00 H new ATOM 0 HA ASN A 56 18.391 -5.487 6.498 1.00 0.00 H new ATOM 0 HB2 ASN A 56 19.774 -5.310 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 56 18.374 -4.405 3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 56 19.249 -1.472 5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 56 18.249 -2.311 4.156 1.00 0.00 H new ATOM 648 N ALA A 57 15.797 -5.520 6.378 1.00 0.00 N ATOM 649 CA ALA A 57 14.407 -5.092 6.499 1.00 0.00 C ATOM 650 C ALA A 57 14.313 -3.628 6.930 1.00 0.00 C ATOM 651 O ALA A 57 13.916 -3.313 8.055 1.00 0.00 O ATOM 652 CB ALA A 57 13.673 -5.989 7.481 1.00 0.00 C ATOM 0 H ALA A 57 16.085 -6.204 7.078 1.00 0.00 H new ATOM 0 HA ALA A 57 13.935 -5.177 5.520 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.636 -5.664 7.566 1.00 0.00 H new ATOM 0 HB2 ALA A 57 13.702 -7.019 7.125 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.153 -5.929 8.458 1.00 0.00 H new ATOM 658 N ASP A 58 14.709 -2.747 6.030 1.00 0.00 N ATOM 659 CA ASP A 58 14.626 -1.315 6.245 1.00 0.00 C ATOM 660 C ASP A 58 13.709 -0.706 5.200 1.00 0.00 C ATOM 661 O ASP A 58 14.166 -0.124 4.215 1.00 0.00 O ATOM 662 CB ASP A 58 16.014 -0.678 6.161 1.00 0.00 C ATOM 663 CG ASP A 58 16.161 0.512 7.086 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.808 1.637 6.680 1.00 0.00 O ATOM 665 OD2 ASP A 58 16.642 0.327 8.222 1.00 0.00 O ATOM 0 H ASP A 58 15.099 -3.007 5.124 1.00 0.00 H new ATOM 0 HA ASP A 58 14.224 -1.126 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.769 -1.424 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.204 -0.363 5.135 1.00 0.00 H new ATOM 670 N MET A 59 12.415 -0.881 5.398 1.00 0.00 N ATOM 671 CA MET A 59 11.432 -0.405 4.446 1.00 0.00 C ATOM 672 C MET A 59 10.376 0.426 5.147 1.00 0.00 C ATOM 673 O MET A 59 9.797 -0.002 6.144 1.00 0.00 O ATOM 674 CB MET A 59 10.777 -1.581 3.727 1.00 0.00 C ATOM 675 CG MET A 59 10.663 -1.386 2.227 1.00 0.00 C ATOM 676 SD MET A 59 10.497 -2.945 1.333 1.00 0.00 S ATOM 677 CE MET A 59 11.998 -3.788 1.828 1.00 0.00 C ATOM 0 H MET A 59 12.021 -1.351 6.213 1.00 0.00 H new ATOM 0 HA MET A 59 11.939 0.220 3.711 1.00 0.00 H new ATOM 0 HB2 MET A 59 11.354 -2.484 3.925 1.00 0.00 H new ATOM 0 HB3 MET A 59 9.782 -1.741 4.141 1.00 0.00 H new ATOM 0 HG2 MET A 59 9.801 -0.755 2.011 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.545 -0.857 1.865 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.073 -4.738 1.299 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.861 -3.168 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 59 11.975 -3.971 2.902 1.00 0.00 H new ATOM 687 N THR A 60 10.138 1.613 4.629 1.00 0.00 N ATOM 688 CA THR A 60 9.143 2.504 5.188 1.00 0.00 C ATOM 689 C THR A 60 8.048 2.787 4.167 1.00 0.00 C ATOM 690 O THR A 60 8.328 3.230 3.049 1.00 0.00 O ATOM 691 CB THR A 60 9.781 3.832 5.637 1.00 0.00 C ATOM 692 OG1 THR A 60 10.987 4.069 4.898 1.00 0.00 O ATOM 693 CG2 THR A 60 10.090 3.808 7.126 1.00 0.00 C ATOM 0 H THR A 60 10.625 1.986 3.814 1.00 0.00 H new ATOM 0 HA THR A 60 8.708 2.012 6.058 1.00 0.00 H new ATOM 0 HB THR A 60 9.071 4.636 5.443 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.387 4.916 5.187 1.00 0.00 H new ATOM 0 HG21 THR A 60 10.540 4.756 7.420 1.00 0.00 H new ATOM 0 HG22 THR A 60 9.168 3.655 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.784 2.995 7.341 1.00 0.00 H new ATOM 701 N LEU A 61 6.811 2.509 4.539 1.00 0.00 N ATOM 702 CA LEU A 61 5.679 2.783 3.674 1.00 0.00 C ATOM 703 C LEU A 61 5.109 4.151 4.003 1.00 0.00 C ATOM 704 O LEU A 61 4.605 4.379 5.102 1.00 0.00 O ATOM 705 CB LEU A 61 4.598 1.707 3.838 1.00 0.00 C ATOM 706 CG LEU A 61 3.446 1.758 2.827 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.908 0.362 2.580 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.327 2.667 3.313 1.00 0.00 C ATOM 0 H LEU A 61 6.565 2.092 5.437 1.00 0.00 H new ATOM 0 HA LEU A 61 6.017 2.771 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.073 0.728 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.180 1.789 4.841 1.00 0.00 H new ATOM 0 HG LEU A 61 3.834 2.166 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.090 0.409 1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.703 -0.270 2.184 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.543 -0.058 3.517 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.525 2.683 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.941 2.293 4.261 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.713 3.677 3.451 1.00 0.00 H new ATOM 720 N ILE A 62 5.209 5.068 3.068 1.00 0.00 N ATOM 721 CA ILE A 62 4.631 6.380 3.256 1.00 0.00 C ATOM 722 C ILE A 62 3.367 6.510 2.424 1.00 0.00 C ATOM 723 O ILE A 62 3.369 6.309 1.207 1.00 0.00 O ATOM 724 CB ILE A 62 5.649 7.510 2.948 1.00 0.00 C ATOM 725 CG1 ILE A 62 5.014 8.887 3.155 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.218 7.384 1.544 1.00 0.00 C ATOM 727 CD1 ILE A 62 5.736 9.736 4.180 1.00 0.00 C ATOM 0 H ILE A 62 5.682 4.932 2.175 1.00 0.00 H new ATOM 0 HA ILE A 62 4.363 6.492 4.307 1.00 0.00 H new ATOM 0 HB ILE A 62 6.477 7.405 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.996 9.417 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.978 8.757 3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.927 8.192 1.365 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.727 6.426 1.442 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.408 7.443 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.232 10.698 4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.731 9.226 5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.765 9.896 3.860 1.00 0.00 H new ATOM 739 N LEU A 63 2.282 6.801 3.114 1.00 0.00 N ATOM 740 CA LEU A 63 0.982 6.925 2.495 1.00 0.00 C ATOM 741 C LEU A 63 0.881 8.290 1.828 1.00 0.00 C ATOM 742 O LEU A 63 1.072 9.331 2.472 1.00 0.00 O ATOM 743 CB LEU A 63 -0.107 6.718 3.553 1.00 0.00 C ATOM 744 CG LEU A 63 -1.500 7.223 3.191 1.00 0.00 C ATOM 745 CD1 LEU A 63 -1.959 6.663 1.853 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.496 6.853 4.279 1.00 0.00 C ATOM 0 H LEU A 63 2.280 6.958 4.122 1.00 0.00 H new ATOM 0 HA LEU A 63 0.844 6.163 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.175 5.652 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.209 7.212 4.472 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.450 8.309 3.107 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.955 7.041 1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.264 6.971 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.987 5.575 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.486 7.220 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.529 5.769 4.389 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.189 7.304 5.222 1.00 0.00 H new ATOM 758 N LEU A 64 0.586 8.261 0.539 1.00 0.00 N ATOM 759 CA LEU A 64 0.725 9.421 -0.321 1.00 0.00 C ATOM 760 C LEU A 64 -0.615 9.853 -0.922 1.00 0.00 C ATOM 761 O LEU A 64 -1.474 9.020 -1.200 1.00 0.00 O ATOM 762 CB LEU A 64 1.697 9.058 -1.444 1.00 0.00 C ATOM 763 CG LEU A 64 3.080 9.697 -1.370 1.00 0.00 C ATOM 764 CD1 LEU A 64 3.686 9.470 -0.019 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.993 9.132 -2.438 1.00 0.00 C ATOM 0 H LEU A 64 0.242 7.429 0.059 1.00 0.00 H new ATOM 0 HA LEU A 64 1.097 10.257 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.820 7.975 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.242 9.336 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 64 2.966 10.768 -1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.673 9.931 0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.048 9.914 0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.779 8.399 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.973 9.603 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.096 8.056 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.568 9.330 -3.422 1.00 0.00 H new ATOM 777 N ARG A 65 -0.770 11.159 -1.137 1.00 0.00 N ATOM 778 CA ARG A 65 -1.935 11.712 -1.803 1.00 0.00 C ATOM 779 C ARG A 65 -1.600 13.115 -2.340 1.00 0.00 C ATOM 780 O ARG A 65 -1.394 14.072 -1.590 1.00 0.00 O ATOM 781 CB ARG A 65 -3.172 11.677 -0.881 1.00 0.00 C ATOM 782 CG ARG A 65 -3.434 12.943 -0.072 1.00 0.00 C ATOM 783 CD ARG A 65 -4.810 12.923 0.580 1.00 0.00 C ATOM 784 NE ARG A 65 -5.588 14.120 0.261 1.00 0.00 N ATOM 785 CZ ARG A 65 -6.863 14.296 0.605 1.00 0.00 C ATOM 786 NH1 ARG A 65 -7.479 13.399 1.368 1.00 0.00 N ATOM 787 NH2 ARG A 65 -7.510 15.389 0.215 1.00 0.00 N ATOM 0 H ARG A 65 -0.086 11.860 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.201 11.095 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.051 11.471 -1.492 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.062 10.842 -0.189 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -2.669 13.048 0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.353 13.814 -0.723 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -5.354 12.039 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.697 12.842 1.661 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.125 14.867 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.976 12.573 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.455 13.536 1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.031 16.092 -0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.486 15.525 0.478 1.00 0.00 H new ATOM 801 N ASN A 66 -1.459 13.196 -3.653 1.00 0.00 N ATOM 802 CA ASN A 66 -1.223 14.446 -4.343 1.00 0.00 C ATOM 803 C ASN A 66 -2.135 14.501 -5.543 1.00 0.00 C ATOM 804 O ASN A 66 -2.769 13.506 -5.889 1.00 0.00 O ATOM 805 CB ASN A 66 0.246 14.607 -4.771 1.00 0.00 C ATOM 806 CG ASN A 66 0.438 14.504 -6.280 1.00 0.00 C ATOM 807 OD1 ASN A 66 0.499 15.505 -6.993 1.00 0.00 O ATOM 808 ND2 ASN A 66 0.525 13.288 -6.764 1.00 0.00 N ATOM 0 H ASN A 66 -1.506 12.387 -4.272 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.436 15.270 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.616 15.573 -4.428 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.848 13.843 -4.280 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.648 13.146 -7.767 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.470 12.485 -6.138 1.00 0.00 H new ATOM 815 N VAL A 67 -2.180 15.650 -6.165 1.00 0.00 N ATOM 816 CA VAL A 67 -3.016 15.892 -7.317 1.00 0.00 C ATOM 817 C VAL A 67 -2.989 14.781 -8.361 1.00 0.00 C ATOM 818 O VAL A 67 -4.053 14.341 -8.795 1.00 0.00 O ATOM 819 CB VAL A 67 -2.587 17.181 -8.010 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.549 17.546 -9.129 1.00 0.00 C ATOM 821 CG2 VAL A 67 -2.454 18.320 -7.013 1.00 0.00 C ATOM 0 H VAL A 67 -1.628 16.460 -5.882 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.030 15.951 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.606 17.010 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.219 18.469 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.570 16.744 -9.867 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.549 17.687 -8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.147 19.226 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.413 18.490 -6.524 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.706 18.062 -6.263 1.00 0.00 H new ATOM 831 N GLY A 68 -1.776 14.376 -8.768 1.00 0.00 N ATOM 832 CA GLY A 68 -1.591 13.386 -9.833 1.00 0.00 C ATOM 833 C GLY A 68 -2.699 12.356 -9.899 1.00 0.00 C ATOM 834 O GLY A 68 -3.277 12.114 -10.959 1.00 0.00 O ATOM 0 H GLY A 68 -0.904 14.724 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.528 13.902 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.640 12.876 -9.683 1.00 0.00 H new ATOM 838 N GLY A 69 -3.005 11.775 -8.755 1.00 0.00 N ATOM 839 CA GLY A 69 -4.107 10.854 -8.654 1.00 0.00 C ATOM 840 C GLY A 69 -4.208 10.264 -7.268 1.00 0.00 C ATOM 841 O GLY A 69 -4.608 9.115 -7.107 1.00 0.00 O ATOM 0 H GLY A 69 -2.500 11.929 -7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -5.036 11.368 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.982 10.054 -9.383 1.00 0.00 H new ATOM 845 N ASN A 70 -3.861 11.085 -6.272 1.00 0.00 N ATOM 846 CA ASN A 70 -3.738 10.651 -4.880 1.00 0.00 C ATOM 847 C ASN A 70 -2.528 9.730 -4.717 1.00 0.00 C ATOM 848 O ASN A 70 -2.581 8.547 -5.009 1.00 0.00 O ATOM 849 CB ASN A 70 -5.026 9.983 -4.388 1.00 0.00 C ATOM 850 CG ASN A 70 -5.972 10.971 -3.732 1.00 0.00 C ATOM 851 OD1 ASN A 70 -5.548 12.000 -3.210 1.00 0.00 O ATOM 852 ND2 ASN A 70 -7.262 10.664 -3.750 1.00 0.00 N ATOM 0 H ASN A 70 -3.657 12.075 -6.411 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.579 11.532 -4.258 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.529 9.505 -5.229 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -4.776 9.196 -3.677 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.942 11.292 -3.321 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -7.575 9.800 -4.193 1.00 0.00 H new ATOM 859 N GLY A 71 -1.423 10.305 -4.265 1.00 0.00 N ATOM 860 CA GLY A 71 -0.165 9.585 -4.212 1.00 0.00 C ATOM 861 C GLY A 71 1.015 10.496 -3.988 1.00 0.00 C ATOM 862 O GLY A 71 0.980 11.388 -3.154 1.00 0.00 O ATOM 0 H GLY A 71 -1.375 11.267 -3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.207 8.847 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.025 9.037 -5.144 1.00 0.00 H new ATOM 866 N TRP A 72 1.988 10.292 -4.839 1.00 0.00 N ATOM 867 CA TRP A 72 3.263 10.981 -4.894 1.00 0.00 C ATOM 868 C TRP A 72 3.173 12.422 -4.387 1.00 0.00 C ATOM 869 O TRP A 72 2.900 13.356 -5.130 1.00 0.00 O ATOM 870 CB TRP A 72 3.679 10.957 -6.368 1.00 0.00 C ATOM 871 CG TRP A 72 2.884 9.963 -7.221 1.00 0.00 C ATOM 872 CD1 TRP A 72 3.400 8.915 -7.914 1.00 0.00 C ATOM 873 CD2 TRP A 72 1.443 9.887 -7.430 1.00 0.00 C ATOM 874 NE1 TRP A 72 2.407 8.256 -8.601 1.00 0.00 N ATOM 875 CE2 TRP A 72 1.201 8.820 -8.305 1.00 0.00 C ATOM 876 CE3 TRP A 72 0.343 10.624 -6.969 1.00 0.00 C ATOM 877 CZ2 TRP A 72 -0.086 8.481 -8.726 1.00 0.00 C ATOM 878 CZ3 TRP A 72 -0.905 10.282 -7.366 1.00 0.00 C ATOM 879 CH2 TRP A 72 -1.125 9.225 -8.237 1.00 0.00 C ATOM 0 H TRP A 72 1.908 9.586 -5.571 1.00 0.00 H new ATOM 0 HA TRP A 72 3.990 10.489 -4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 72 3.559 11.957 -6.786 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.739 10.710 -6.432 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.444 8.638 -7.924 1.00 0.00 H new ATOM 0 HE1 TRP A 72 2.550 7.468 -9.233 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.491 11.460 -6.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.255 7.663 -9.411 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -1.749 10.845 -6.996 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.135 8.985 -8.535 1.00 0.00 H new ATOM 890 N GLY A 73 3.462 12.555 -3.098 1.00 0.00 N ATOM 891 CA GLY A 73 3.145 13.745 -2.332 1.00 0.00 C ATOM 892 C GLY A 73 2.710 13.317 -0.944 1.00 0.00 C ATOM 893 O GLY A 73 1.545 12.976 -0.724 1.00 0.00 O ATOM 0 H GLY A 73 3.928 11.829 -2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.014 14.400 -2.272 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.352 14.311 -2.821 1.00 0.00 H new ATOM 897 N GLU A 74 3.654 13.316 -0.018 1.00 0.00 N ATOM 898 CA GLU A 74 3.528 12.538 1.212 1.00 0.00 C ATOM 899 C GLU A 74 2.540 13.113 2.220 1.00 0.00 C ATOM 900 O GLU A 74 2.295 14.321 2.268 1.00 0.00 O ATOM 901 CB GLU A 74 4.892 12.387 1.887 1.00 0.00 C ATOM 902 CG GLU A 74 6.041 12.160 0.918 1.00 0.00 C ATOM 903 CD GLU A 74 7.009 13.322 0.881 1.00 0.00 C ATOM 904 OE1 GLU A 74 7.092 14.067 1.876 1.00 0.00 O ATOM 905 OE2 GLU A 74 7.686 13.499 -0.153 1.00 0.00 O ATOM 0 H GLU A 74 4.522 13.847 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 74 3.134 11.570 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.097 13.283 2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.849 11.552 2.586 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.577 11.254 1.202 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.641 11.993 -0.082 1.00 0.00 H new ATOM 912 N ILE A 75 1.972 12.205 3.018 1.00 0.00 N ATOM 913 CA ILE A 75 1.193 12.572 4.193 1.00 0.00 C ATOM 914 C ILE A 75 1.671 11.780 5.407 1.00 0.00 C ATOM 915 O ILE A 75 2.400 12.297 6.251 1.00 0.00 O ATOM 916 CB ILE A 75 -0.323 12.317 4.032 1.00 0.00 C ATOM 917 CG1 ILE A 75 -0.719 12.165 2.566 1.00 0.00 C ATOM 918 CG2 ILE A 75 -1.112 13.438 4.688 1.00 0.00 C ATOM 919 CD1 ILE A 75 -1.728 11.061 2.342 1.00 0.00 C ATOM 0 H ILE A 75 2.042 11.199 2.864 1.00 0.00 H new ATOM 0 HA ILE A 75 1.345 13.643 4.325 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.560 11.376 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.133 13.107 2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.173 11.962 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.179 13.250 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.867 13.483 5.749 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.857 14.387 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.971 11.000 1.281 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.308 10.111 2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.633 11.275 2.910 1.00 0.00 H new ATOM 931 N LYS A 76 1.275 10.511 5.473 1.00 0.00 N ATOM 932 CA LYS A 76 1.540 9.686 6.649 1.00 0.00 C ATOM 933 C LYS A 76 2.719 8.749 6.432 1.00 0.00 C ATOM 934 O LYS A 76 2.849 8.143 5.376 1.00 0.00 O ATOM 935 CB LYS A 76 0.299 8.873 7.017 1.00 0.00 C ATOM 936 CG LYS A 76 -0.038 8.941 8.493 1.00 0.00 C ATOM 937 CD LYS A 76 -0.425 7.584 9.056 1.00 0.00 C ATOM 938 CE LYS A 76 0.067 7.416 10.486 1.00 0.00 C ATOM 939 NZ LYS A 76 -0.727 8.223 11.453 1.00 0.00 N ATOM 0 H LYS A 76 0.770 10.032 4.727 1.00 0.00 H new ATOM 0 HA LYS A 76 1.793 10.361 7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.551 9.236 6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.456 7.832 6.734 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.820 9.329 9.042 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.858 9.643 8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.509 7.472 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.006 6.796 8.430 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.015 6.364 10.765 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.115 7.710 10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.356 8.077 12.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.657 9.230 11.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.723 7.926 11.418 1.00 0.00 H new ATOM 953 N ARG A 77 3.560 8.618 7.447 1.00 0.00 N ATOM 954 CA ARG A 77 4.702 7.715 7.380 1.00 0.00 C ATOM 955 C ARG A 77 4.453 6.468 8.224 1.00 0.00 C ATOM 956 O ARG A 77 3.876 6.548 9.308 1.00 0.00 O ATOM 957 CB ARG A 77 5.971 8.424 7.861 1.00 0.00 C ATOM 958 CG ARG A 77 7.237 7.605 7.658 1.00 0.00 C ATOM 959 CD ARG A 77 8.383 8.109 8.521 1.00 0.00 C ATOM 960 NE ARG A 77 9.649 8.095 7.792 1.00 0.00 N ATOM 961 CZ ARG A 77 10.716 7.377 8.149 1.00 0.00 C ATOM 962 NH1 ARG A 77 10.701 6.675 9.279 1.00 0.00 N ATOM 963 NH2 ARG A 77 11.797 7.376 7.378 1.00 0.00 N ATOM 0 H ARG A 77 3.474 9.125 8.328 1.00 0.00 H new ATOM 0 HA ARG A 77 4.836 7.413 6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 77 6.072 9.371 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.867 8.661 8.920 1.00 0.00 H new ATOM 0 HG2 ARG A 77 7.036 6.560 7.896 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.529 7.642 6.609 1.00 0.00 H new ATOM 0 HD2 ARG A 77 8.167 9.123 8.858 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.469 7.488 9.413 1.00 0.00 H new ATOM 0 HE ARG A 77 9.722 8.672 6.954 1.00 0.00 H new ATOM 0 HH11 ARG A 77 9.873 6.685 9.875 1.00 0.00 H new ATOM 0 HH12 ARG A 77 11.518 6.127 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.810 7.922 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 77 12.615 6.829 7.647 1.00 0.00 H new ATOM 977 N ASN A 78 4.867 5.322 7.707 1.00 0.00 N ATOM 978 CA ASN A 78 4.771 4.059 8.432 1.00 0.00 C ATOM 979 C ASN A 78 6.088 3.288 8.305 1.00 0.00 C ATOM 980 O ASN A 78 6.802 3.438 7.315 1.00 0.00 O ATOM 981 CB ASN A 78 3.585 3.245 7.893 1.00 0.00 C ATOM 982 CG ASN A 78 3.857 1.758 7.754 1.00 0.00 C ATOM 983 OD1 ASN A 78 4.539 1.312 6.835 1.00 0.00 O ATOM 984 ND2 ASN A 78 3.300 0.981 8.661 1.00 0.00 N ATOM 0 H ASN A 78 5.278 5.238 6.777 1.00 0.00 H new ATOM 0 HA ASN A 78 4.596 4.250 9.491 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.732 3.386 8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.300 3.643 6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.428 -0.030 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 78 2.740 1.390 9.409 1.00 0.00 H new ATOM 991 N ASP A 79 6.414 2.488 9.318 1.00 0.00 N ATOM 992 CA ASP A 79 7.676 1.748 9.341 1.00 0.00 C ATOM 993 C ASP A 79 7.463 0.242 9.183 1.00 0.00 C ATOM 994 O ASP A 79 6.377 -0.211 8.821 1.00 0.00 O ATOM 995 CB ASP A 79 8.464 2.038 10.624 1.00 0.00 C ATOM 996 CG ASP A 79 7.701 1.695 11.886 1.00 0.00 C ATOM 997 OD1 ASP A 79 6.781 2.454 12.255 1.00 0.00 O ATOM 998 OD2 ASP A 79 8.035 0.680 12.526 1.00 0.00 O ATOM 0 H ASP A 79 5.822 2.335 10.134 1.00 0.00 H new ATOM 0 HA ASP A 79 8.257 2.093 8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.395 1.472 10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.733 3.094 10.646 1.00 0.00 H new ATOM 1003 N ILE A 80 8.507 -0.527 9.489 1.00 0.00 N ATOM 1004 CA ILE A 80 8.545 -1.957 9.187 1.00 0.00 C ATOM 1005 C ILE A 80 7.714 -2.775 10.169 1.00 0.00 C ATOM 1006 O ILE A 80 7.734 -2.530 11.377 1.00 0.00 O ATOM 1007 CB ILE A 80 9.991 -2.498 9.210 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.998 -1.391 8.891 1.00 0.00 C ATOM 1009 CG2 ILE A 80 10.143 -3.647 8.229 1.00 0.00 C ATOM 1010 CD1 ILE A 80 12.011 -1.156 9.991 1.00 0.00 C ATOM 0 H ILE A 80 9.347 -0.178 9.951 1.00 0.00 H new ATOM 0 HA ILE A 80 8.123 -2.062 8.187 1.00 0.00 H new ATOM 0 HB ILE A 80 10.197 -2.865 10.216 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.525 -1.645 7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.458 -0.463 8.702 1.00 0.00 H new ATOM 0 HG21 ILE A 80 11.168 -4.017 8.258 1.00 0.00 H new ATOM 0 HG22 ILE A 80 9.459 -4.451 8.502 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.911 -3.299 7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.692 -0.358 9.694 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.494 -0.870 10.907 1.00 0.00 H new ATOM 0 HD13 ILE A 80 12.578 -2.070 10.165 1.00 0.00 H new ATOM 1022 N ASP A 81 6.994 -3.752 9.619 1.00 0.00 N ATOM 1023 CA ASP A 81 6.090 -4.618 10.380 1.00 0.00 C ATOM 1024 C ASP A 81 5.081 -3.791 11.157 1.00 0.00 C ATOM 1025 O ASP A 81 4.730 -4.111 12.293 1.00 0.00 O ATOM 1026 CB ASP A 81 6.854 -5.557 11.319 1.00 0.00 C ATOM 1027 CG ASP A 81 6.104 -6.858 11.551 1.00 0.00 C ATOM 1028 OD1 ASP A 81 5.241 -7.213 10.715 1.00 0.00 O ATOM 1029 OD2 ASP A 81 6.371 -7.539 12.565 1.00 0.00 O ATOM 0 H ASP A 81 7.021 -3.968 8.622 1.00 0.00 H new ATOM 0 HA ASP A 81 5.554 -5.239 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.835 -5.774 10.897 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.021 -5.059 12.274 1.00 0.00 H new ATOM 1034 N LYS A 82 4.615 -2.725 10.528 1.00 0.00 N ATOM 1035 CA LYS A 82 3.657 -1.826 11.150 1.00 0.00 C ATOM 1036 C LYS A 82 2.428 -1.668 10.263 1.00 0.00 C ATOM 1037 O LYS A 82 2.547 -1.586 9.041 1.00 0.00 O ATOM 1038 CB LYS A 82 4.302 -0.458 11.400 1.00 0.00 C ATOM 1039 CG LYS A 82 3.685 0.311 12.557 1.00 0.00 C ATOM 1040 CD LYS A 82 3.620 1.800 12.264 1.00 0.00 C ATOM 1041 CE LYS A 82 3.561 2.617 13.545 1.00 0.00 C ATOM 1042 NZ LYS A 82 4.907 3.072 13.979 1.00 0.00 N ATOM 0 H LYS A 82 4.887 -2.460 9.581 1.00 0.00 H new ATOM 0 HA LYS A 82 3.349 -2.252 12.105 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.365 -0.599 11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.221 0.142 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.681 -0.067 12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.270 0.142 13.461 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.493 2.096 11.682 1.00 0.00 H new ATOM 0 HD3 LYS A 82 2.743 2.014 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.917 3.483 13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.108 2.019 14.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.817 3.957 14.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.342 2.344 14.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.505 3.234 13.144 1.00 0.00 H new ATOM 1056 N PRO A 83 1.232 -1.666 10.859 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.011 -1.424 10.141 1.00 0.00 C ATOM 1058 C PRO A 83 -0.302 0.064 9.987 1.00 0.00 C ATOM 1059 O PRO A 83 -0.435 0.788 10.976 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.082 -2.091 11.025 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.367 -2.610 12.237 1.00 0.00 C ATOM 1062 CD PRO A 83 0.976 -1.934 12.274 1.00 0.00 C ATOM 0 HA PRO A 83 0.023 -1.820 9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.854 -1.375 11.306 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.578 -2.901 10.490 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.934 -2.393 13.142 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.253 -3.693 12.184 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.953 -1.017 12.863 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.742 -2.575 12.711 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.387 0.523 8.752 1.00 0.00 N ATOM 1071 CA LEU A 84 -0.748 1.901 8.478 1.00 0.00 C ATOM 1072 C LEU A 84 -2.227 1.975 8.128 1.00 0.00 C ATOM 1073 O LEU A 84 -2.687 1.290 7.217 1.00 0.00 O ATOM 1074 CB LEU A 84 0.101 2.461 7.336 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.400 3.779 6.742 1.00 0.00 C ATOM 1076 CD1 LEU A 84 0.657 4.863 6.877 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -0.790 3.593 5.285 1.00 0.00 C ATOM 0 H LEU A 84 -0.210 -0.041 7.920 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.559 2.504 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.119 2.607 7.698 1.00 0.00 H new ATOM 0 HB3 LEU A 84 0.149 1.717 6.541 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.284 4.091 7.298 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.282 5.792 6.449 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.888 5.016 7.931 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.560 4.558 6.348 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.144 4.541 4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.077 3.256 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.583 2.849 5.213 1.00 0.00 H new ATOM 1089 N LYS A 85 -2.973 2.773 8.876 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.398 2.931 8.629 1.00 0.00 C ATOM 1091 C LYS A 85 -4.791 4.401 8.678 1.00 0.00 C ATOM 1092 O LYS A 85 -4.350 5.142 9.561 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.226 2.134 9.647 1.00 0.00 C ATOM 1094 CG LYS A 85 -4.559 1.978 11.006 1.00 0.00 C ATOM 1095 CD LYS A 85 -5.422 1.166 11.956 1.00 0.00 C ATOM 1096 CE LYS A 85 -4.679 0.836 13.240 1.00 0.00 C ATOM 1097 NZ LYS A 85 -5.226 -0.377 13.900 1.00 0.00 N ATOM 0 H LYS A 85 -2.616 3.321 9.659 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.608 2.542 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.189 2.627 9.781 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.429 1.144 9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.591 1.491 10.885 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.369 2.962 11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.329 1.723 12.192 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.734 0.243 11.467 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.622 0.684 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.743 1.682 13.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -4.692 -0.568 14.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.228 -0.223 14.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.142 -1.190 13.257 1.00 0.00 H new ATOM 1111 N TYR A 86 -5.606 4.815 7.723 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.098 6.181 7.666 1.00 0.00 C ATOM 1113 C TYR A 86 -7.598 6.187 7.420 1.00 0.00 C ATOM 1114 O TYR A 86 -8.148 5.228 6.880 1.00 0.00 O ATOM 1115 CB TYR A 86 -5.384 6.958 6.560 1.00 0.00 C ATOM 1116 CG TYR A 86 -4.717 8.232 7.040 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -4.381 8.403 8.378 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -4.422 9.259 6.155 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -3.771 9.562 8.815 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -3.809 10.421 6.586 1.00 0.00 C ATOM 1121 CZ TYR A 86 -3.487 10.566 7.917 1.00 0.00 C ATOM 1122 OH TYR A 86 -2.875 11.721 8.350 1.00 0.00 O ATOM 0 H TYR A 86 -5.944 4.217 6.969 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.893 6.664 8.621 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.631 6.314 6.104 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.104 7.207 5.781 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -4.600 7.618 9.086 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.676 9.149 5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -3.517 9.681 9.858 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -3.584 11.210 5.883 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.745 12.327 7.591 1.00 0.00 H new ATOM 1132 N GLU A 87 -8.253 7.261 7.830 1.00 0.00 N ATOM 1133 CA GLU A 87 -9.683 7.411 7.620 1.00 0.00 C ATOM 1134 C GLU A 87 -9.958 8.097 6.286 1.00 0.00 C ATOM 1135 O GLU A 87 -9.025 8.422 5.551 1.00 0.00 O ATOM 1136 CB GLU A 87 -10.297 8.225 8.756 1.00 0.00 C ATOM 1137 CG GLU A 87 -10.918 7.375 9.849 1.00 0.00 C ATOM 1138 CD GLU A 87 -11.847 8.168 10.742 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -12.373 9.206 10.288 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -12.052 7.759 11.904 1.00 0.00 O ATOM 0 H GLU A 87 -7.814 8.045 8.312 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.136 6.419 7.604 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.526 8.859 9.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -11.059 8.887 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.470 6.552 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.127 6.933 10.455 1.00 0.00 H new ATOM 1147 N ASP A 88 -11.240 8.326 6.000 1.00 0.00 N ATOM 1148 CA ASP A 88 -11.669 8.971 4.756 1.00 0.00 C ATOM 1149 C ASP A 88 -11.193 8.182 3.538 1.00 0.00 C ATOM 1150 O ASP A 88 -10.229 8.558 2.872 1.00 0.00 O ATOM 1151 CB ASP A 88 -11.157 10.410 4.688 1.00 0.00 C ATOM 1152 CG ASP A 88 -12.219 11.379 4.209 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -12.732 11.202 3.085 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -12.546 12.324 4.959 1.00 0.00 O ATOM 0 H ASP A 88 -12.008 8.071 6.620 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.759 8.989 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -10.808 10.716 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -10.298 10.456 4.018 1.00 0.00 H new ATOM 1159 N TYR A 89 -11.896 7.100 3.240 1.00 0.00 N ATOM 1160 CA TYR A 89 -11.487 6.189 2.178 1.00 0.00 C ATOM 1161 C TYR A 89 -11.831 6.746 0.803 1.00 0.00 C ATOM 1162 O TYR A 89 -11.078 6.567 -0.155 1.00 0.00 O ATOM 1163 CB TYR A 89 -12.163 4.824 2.348 1.00 0.00 C ATOM 1164 CG TYR A 89 -11.965 4.199 3.711 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -10.708 3.794 4.140 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -13.044 4.003 4.563 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -10.531 3.210 5.380 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -12.874 3.422 5.805 1.00 0.00 C ATOM 1169 CZ TYR A 89 -11.617 3.027 6.209 1.00 0.00 C ATOM 1170 OH TYR A 89 -11.447 2.446 7.444 1.00 0.00 O ATOM 0 H TYR A 89 -12.755 6.830 3.719 1.00 0.00 H new ATOM 0 HA TYR A 89 -10.405 6.075 2.250 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -13.232 4.935 2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.777 4.143 1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.855 3.938 3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -14.031 4.309 4.250 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.547 2.899 5.698 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -13.723 3.278 6.457 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.312 2.392 7.902 1.00 0.00 H new ATOM 1180 N TYR A 90 -12.962 7.423 0.710 1.00 0.00 N ATOM 1181 CA TYR A 90 -13.483 7.849 -0.576 1.00 0.00 C ATOM 1182 C TYR A 90 -13.338 9.351 -0.789 1.00 0.00 C ATOM 1183 O TYR A 90 -13.968 10.150 -0.099 1.00 0.00 O ATOM 1184 CB TYR A 90 -14.953 7.453 -0.702 1.00 0.00 C ATOM 1185 CG TYR A 90 -15.273 6.712 -1.978 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -15.130 7.326 -3.213 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -15.716 5.397 -1.945 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -15.419 6.653 -4.382 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -16.006 4.715 -3.111 1.00 0.00 C ATOM 1190 CZ TYR A 90 -15.855 5.348 -4.327 1.00 0.00 C ATOM 1191 OH TYR A 90 -16.145 4.678 -5.493 1.00 0.00 O ATOM 0 H TYR A 90 -13.537 7.689 1.510 1.00 0.00 H new ATOM 0 HA TYR A 90 -12.895 7.348 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -15.227 6.829 0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -15.568 8.351 -0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -14.786 8.349 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -15.836 4.900 -0.994 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -15.304 7.147 -5.335 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -16.349 3.692 -3.070 1.00 0.00 H new ATOM 0 HH TYR A 90 -16.439 3.767 -5.282 1.00 0.00 H new ATOM 1201 N THR A 91 -12.495 9.726 -1.743 1.00 0.00 N ATOM 1202 CA THR A 91 -12.419 11.106 -2.196 1.00 0.00 C ATOM 1203 C THR A 91 -13.455 11.332 -3.293 1.00 0.00 C ATOM 1204 O THR A 91 -14.608 11.668 -3.020 1.00 0.00 O ATOM 1205 CB THR A 91 -11.019 11.453 -2.744 1.00 0.00 C ATOM 1206 OG1 THR A 91 -10.517 10.361 -3.529 1.00 0.00 O ATOM 1207 CG2 THR A 91 -10.047 11.764 -1.616 1.00 0.00 C ATOM 0 H THR A 91 -11.854 9.091 -2.218 1.00 0.00 H new ATOM 0 HA THR A 91 -12.616 11.752 -1.340 1.00 0.00 H new ATOM 0 HB THR A 91 -11.111 12.341 -3.369 1.00 0.00 H new ATOM 0 HG1 THR A 91 -9.808 10.684 -4.123 1.00 0.00 H new ATOM 0 HG21 THR A 91 -9.070 12.005 -2.034 1.00 0.00 H new ATOM 0 HG22 THR A 91 -10.416 12.614 -1.042 1.00 0.00 H new ATOM 0 HG23 THR A 91 -9.958 10.896 -0.962 1.00 0.00 H new ATOM 1215 N SER A 92 -13.038 11.133 -4.534 1.00 0.00 N ATOM 1216 CA SER A 92 -13.947 11.192 -5.668 1.00 0.00 C ATOM 1217 C SER A 92 -13.721 9.997 -6.591 1.00 0.00 C ATOM 1218 O SER A 92 -14.350 9.880 -7.640 1.00 0.00 O ATOM 1219 CB SER A 92 -13.747 12.501 -6.436 1.00 0.00 C ATOM 1220 OG SER A 92 -12.629 13.220 -5.936 1.00 0.00 O ATOM 0 H SER A 92 -12.070 10.928 -4.782 1.00 0.00 H new ATOM 0 HA SER A 92 -14.972 11.156 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.602 12.287 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.644 13.115 -6.355 1.00 0.00 H new ATOM 0 HG SER A 92 -12.521 14.051 -6.444 1.00 0.00 H new ATOM 1226 N GLY A 93 -12.827 9.102 -6.182 1.00 0.00 N ATOM 1227 CA GLY A 93 -12.507 7.942 -6.994 1.00 0.00 C ATOM 1228 C GLY A 93 -11.012 7.717 -7.092 1.00 0.00 C ATOM 1229 O GLY A 93 -10.553 6.597 -7.328 1.00 0.00 O ATOM 0 H GLY A 93 -12.317 9.160 -5.300 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.980 7.058 -6.567 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -12.921 8.073 -7.994 1.00 0.00 H new ATOM 1233 N LEU A 94 -10.255 8.789 -6.912 1.00 0.00 N ATOM 1234 CA LEU A 94 -8.799 8.720 -6.937 1.00 0.00 C ATOM 1235 C LEU A 94 -8.280 7.918 -5.744 1.00 0.00 C ATOM 1236 O LEU A 94 -8.665 8.169 -4.601 1.00 0.00 O ATOM 1237 CB LEU A 94 -8.212 10.134 -6.920 1.00 0.00 C ATOM 1238 CG LEU A 94 -7.519 10.584 -8.211 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -8.171 9.956 -9.435 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.538 12.099 -8.318 1.00 0.00 C ATOM 0 H LEU A 94 -10.627 9.724 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.487 8.216 -7.852 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.014 10.837 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.494 10.199 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.483 10.246 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.657 10.294 -10.335 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.105 8.870 -9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.219 10.253 -9.482 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.043 12.405 -9.239 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.570 12.450 -8.327 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.015 12.531 -7.464 1.00 0.00 H new ATOM 1252 N SER A 95 -7.413 6.956 -6.016 1.00 0.00 N ATOM 1253 CA SER A 95 -6.887 6.083 -4.977 1.00 0.00 C ATOM 1254 C SER A 95 -5.498 6.535 -4.538 1.00 0.00 C ATOM 1255 O SER A 95 -4.614 6.717 -5.368 1.00 0.00 O ATOM 1256 CB SER A 95 -6.846 4.646 -5.493 1.00 0.00 C ATOM 1257 OG SER A 95 -7.722 4.484 -6.598 1.00 0.00 O ATOM 0 H SER A 95 -7.057 6.759 -6.951 1.00 0.00 H new ATOM 0 HA SER A 95 -7.543 6.134 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.829 4.389 -5.789 1.00 0.00 H new ATOM 0 HB3 SER A 95 -7.129 3.960 -4.695 1.00 0.00 H new ATOM 0 HG SER A 95 -7.680 3.558 -6.915 1.00 0.00 H new ATOM 1263 N TRP A 96 -5.326 6.711 -3.230 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.065 7.177 -2.658 1.00 0.00 C ATOM 1265 C TRP A 96 -2.987 6.123 -2.869 1.00 0.00 C ATOM 1266 O TRP A 96 -3.273 4.926 -2.891 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.204 7.461 -1.145 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.446 8.207 -0.714 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -6.558 8.496 -1.455 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -5.694 8.751 0.589 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.472 9.185 -0.698 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -6.964 9.356 0.561 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -4.958 8.789 1.777 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.518 9.982 1.676 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.508 9.410 2.882 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.776 10.003 2.824 1.00 0.00 C ATOM 0 H TRP A 96 -6.055 6.535 -2.538 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.791 8.104 -3.161 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -4.175 6.509 -0.614 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -3.333 8.032 -0.823 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -6.697 8.221 -2.490 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.381 9.516 -1.021 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -3.977 8.341 1.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.498 10.434 1.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.951 9.439 3.807 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.175 10.486 3.704 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.755 6.572 -3.006 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.661 5.682 -3.346 1.00 0.00 C ATOM 1289 C ILE A 97 0.139 5.272 -2.110 1.00 0.00 C ATOM 1290 O ILE A 97 0.332 6.068 -1.187 1.00 0.00 O ATOM 1291 CB ILE A 97 0.269 6.327 -4.409 1.00 0.00 C ATOM 1292 CG1 ILE A 97 0.298 5.466 -5.670 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.683 6.546 -3.883 1.00 0.00 C ATOM 1294 CD1 ILE A 97 -0.832 5.769 -6.626 1.00 0.00 C ATOM 0 H ILE A 97 -1.486 7.549 -2.887 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.098 4.779 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.139 7.309 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.248 5.616 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.252 4.415 -5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.295 6.999 -4.663 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.651 7.207 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.116 5.589 -3.593 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.752 5.123 -7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -1.786 5.592 -6.130 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -0.774 6.811 -6.939 1.00 0.00 H new ATOM 1306 N TRP A 98 0.578 4.024 -2.086 1.00 0.00 N ATOM 1307 CA TRP A 98 1.528 3.571 -1.086 1.00 0.00 C ATOM 1308 C TRP A 98 2.932 3.666 -1.662 1.00 0.00 C ATOM 1309 O TRP A 98 3.264 2.957 -2.613 1.00 0.00 O ATOM 1310 CB TRP A 98 1.267 2.118 -0.660 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.178 1.727 -0.587 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -0.845 0.887 -1.435 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -1.128 2.134 0.401 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.152 0.760 -1.041 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.351 1.515 0.082 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -1.069 2.967 1.521 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -3.499 1.702 0.842 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -2.211 3.147 2.275 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -3.410 2.518 1.933 1.00 0.00 C ATOM 0 H TRP A 98 0.290 3.306 -2.750 1.00 0.00 H new ATOM 0 HA TRP A 98 1.418 4.206 -0.207 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.772 1.454 -1.361 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.721 1.955 0.317 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -0.406 0.395 -2.291 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -2.860 0.195 -1.509 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.147 3.461 1.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -4.429 1.219 0.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -2.177 3.786 3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -4.285 2.680 2.544 1.00 0.00 H new ATOM 1330 N LYS A 99 3.748 4.550 -1.120 1.00 0.00 N ATOM 1331 CA LYS A 99 5.118 4.665 -1.580 1.00 0.00 C ATOM 1332 C LYS A 99 6.036 3.848 -0.691 1.00 0.00 C ATOM 1333 O LYS A 99 6.361 4.246 0.429 1.00 0.00 O ATOM 1334 CB LYS A 99 5.571 6.124 -1.622 1.00 0.00 C ATOM 1335 CG LYS A 99 6.996 6.306 -2.128 1.00 0.00 C ATOM 1336 CD LYS A 99 7.110 7.478 -3.090 1.00 0.00 C ATOM 1337 CE LYS A 99 6.928 7.037 -4.532 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.005 7.557 -5.415 1.00 0.00 N ATOM 0 H LYS A 99 3.490 5.191 -0.370 1.00 0.00 H new ATOM 0 HA LYS A 99 5.168 4.274 -2.596 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.892 6.688 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.493 6.549 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.664 6.464 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.324 5.394 -2.627 1.00 0.00 H new ATOM 0 HD2 LYS A 99 6.360 8.228 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.085 7.951 -2.974 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.915 5.948 -4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.961 7.383 -4.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.581 8.007 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.572 8.257 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.616 6.771 -5.717 1.00 0.00 H new ATOM 1352 N ILE A 100 6.421 2.687 -1.185 1.00 0.00 N ATOM 1353 CA ILE A 100 7.358 1.834 -0.483 1.00 0.00 C ATOM 1354 C ILE A 100 8.777 2.318 -0.732 1.00 0.00 C ATOM 1355 O ILE A 100 9.285 2.231 -1.850 1.00 0.00 O ATOM 1356 CB ILE A 100 7.214 0.359 -0.925 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.818 -0.162 -0.574 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.278 -0.506 -0.272 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.131 -0.882 -1.714 1.00 0.00 C ATOM 0 H ILE A 100 6.096 2.312 -2.076 1.00 0.00 H new ATOM 0 HA ILE A 100 7.137 1.887 0.583 1.00 0.00 H new ATOM 0 HB ILE A 100 7.349 0.309 -2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.896 -0.839 0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.196 0.676 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.157 -1.539 -0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.266 -0.148 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.176 -0.453 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.147 -1.222 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.020 -0.203 -2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.730 -1.741 -2.016 1.00 0.00 H new ATOM 1371 N LYS A 101 9.388 2.873 0.303 1.00 0.00 N ATOM 1372 CA LYS A 101 10.762 3.338 0.224 1.00 0.00 C ATOM 1373 C LYS A 101 11.651 2.464 1.091 1.00 0.00 C ATOM 1374 O LYS A 101 11.382 2.281 2.279 1.00 0.00 O ATOM 1375 CB LYS A 101 10.863 4.797 0.673 1.00 0.00 C ATOM 1376 CG LYS A 101 12.219 5.433 0.394 1.00 0.00 C ATOM 1377 CD LYS A 101 13.022 5.616 1.672 1.00 0.00 C ATOM 1378 CE LYS A 101 14.327 6.345 1.405 1.00 0.00 C ATOM 1379 NZ LYS A 101 15.492 5.421 1.413 1.00 0.00 N ATOM 0 H LYS A 101 8.949 3.013 1.213 1.00 0.00 H new ATOM 0 HA LYS A 101 11.094 3.273 -0.812 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.090 5.377 0.169 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.659 4.854 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.779 4.808 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.076 6.400 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.432 6.176 2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.231 4.642 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.270 6.849 0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 101 14.472 7.118 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 16.219 5.773 0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.887 5.369 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.186 4.474 1.113 1.00 0.00 H new ATOM 1393 N ASN A 102 12.704 1.930 0.503 1.00 0.00 N ATOM 1394 CA ASN A 102 13.596 1.031 1.220 1.00 0.00 C ATOM 1395 C ASN A 102 14.990 1.635 1.345 1.00 0.00 C ATOM 1396 O ASN A 102 15.302 2.646 0.707 1.00 0.00 O ATOM 1397 CB ASN A 102 13.656 -0.332 0.516 1.00 0.00 C ATOM 1398 CG ASN A 102 14.454 -0.304 -0.777 1.00 0.00 C ATOM 1399 OD1 ASN A 102 14.505 0.709 -1.472 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.078 -1.420 -1.114 1.00 0.00 N ATOM 0 H ASN A 102 12.965 2.101 -0.468 1.00 0.00 H new ATOM 0 HA ASN A 102 13.202 0.885 2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 102 14.098 -1.064 1.192 1.00 0.00 H new ATOM 0 HB3 ASN A 102 12.641 -0.668 0.302 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.624 -1.459 -1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 102 15.014 -2.242 -0.513 1.00 0.00 H new ATOM 1407 N ASN A 103 15.809 1.033 2.197 1.00 0.00 N ATOM 1408 CA ASN A 103 17.188 1.475 2.381 1.00 0.00 C ATOM 1409 C ASN A 103 18.158 0.339 2.096 1.00 0.00 C ATOM 1410 O ASN A 103 19.364 0.473 2.290 1.00 0.00 O ATOM 1411 CB ASN A 103 17.402 1.992 3.804 1.00 0.00 C ATOM 1412 CG ASN A 103 16.963 3.432 3.964 1.00 0.00 C ATOM 1413 OD1 ASN A 103 17.307 4.293 3.156 1.00 0.00 O ATOM 1414 ND2 ASN A 103 16.195 3.700 5.003 1.00 0.00 N ATOM 0 H ASN A 103 15.543 0.235 2.774 1.00 0.00 H new ATOM 0 HA ASN A 103 17.378 2.286 1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.848 1.366 4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 103 18.457 1.905 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.863 4.652 5.160 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.933 2.955 5.649 1.00 0.00 H new ATOM 1421 N SER A 104 17.621 -0.781 1.646 1.00 0.00 N ATOM 1422 CA SER A 104 18.430 -1.936 1.306 1.00 0.00 C ATOM 1423 C SER A 104 19.024 -1.774 -0.088 1.00 0.00 C ATOM 1424 O SER A 104 18.351 -1.296 -0.998 1.00 0.00 O ATOM 1425 CB SER A 104 17.566 -3.191 1.383 1.00 0.00 C ATOM 1426 OG SER A 104 16.403 -2.941 2.159 1.00 0.00 O ATOM 0 H SER A 104 16.619 -0.915 1.507 1.00 0.00 H new ATOM 0 HA SER A 104 19.254 -2.026 2.013 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.281 -3.507 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.137 -4.008 1.824 1.00 0.00 H new ATOM 0 HG SER A 104 16.414 -3.510 2.957 1.00 0.00 H new ATOM 1432 N SER A 105 20.289 -2.143 -0.241 1.00 0.00 N ATOM 1433 CA SER A 105 20.981 -2.011 -1.515 1.00 0.00 C ATOM 1434 C SER A 105 20.569 -3.110 -2.494 1.00 0.00 C ATOM 1435 O SER A 105 20.478 -2.878 -3.702 1.00 0.00 O ATOM 1436 CB SER A 105 22.485 -2.065 -1.270 1.00 0.00 C ATOM 1437 OG SER A 105 22.756 -2.254 0.112 1.00 0.00 O ATOM 0 H SER A 105 20.859 -2.538 0.507 1.00 0.00 H new ATOM 0 HA SER A 105 20.708 -1.055 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.925 -2.878 -1.848 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.949 -1.141 -1.615 1.00 0.00 H new ATOM 0 HG SER A 105 23.725 -2.288 0.254 1.00 0.00 H new ATOM 1443 N GLU A 106 20.324 -4.301 -1.966 1.00 0.00 N ATOM 1444 CA GLU A 106 19.944 -5.441 -2.787 1.00 0.00 C ATOM 1445 C GLU A 106 18.460 -5.393 -3.123 1.00 0.00 C ATOM 1446 O GLU A 106 17.699 -4.652 -2.498 1.00 0.00 O ATOM 1447 CB GLU A 106 20.257 -6.746 -2.055 1.00 0.00 C ATOM 1448 CG GLU A 106 21.721 -6.916 -1.693 1.00 0.00 C ATOM 1449 CD GLU A 106 22.128 -8.371 -1.620 1.00 0.00 C ATOM 1450 OE1 GLU A 106 21.568 -9.186 -2.384 1.00 0.00 O ATOM 1451 OE2 GLU A 106 23.010 -8.705 -0.806 1.00 0.00 O ATOM 0 H GLU A 106 20.382 -4.503 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 106 20.517 -5.397 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU A 106 19.661 -6.791 -1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 106 19.948 -7.584 -2.680 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.338 -6.405 -2.432 1.00 0.00 H new ATOM 0 HG3 GLU A 106 21.913 -6.438 -0.732 1.00 0.00 H new ATOM 1458 N THR A 107 18.057 -6.188 -4.106 1.00 0.00 N ATOM 1459 CA THR A 107 16.654 -6.316 -4.460 1.00 0.00 C ATOM 1460 C THR A 107 15.864 -6.869 -3.282 1.00 0.00 C ATOM 1461 O THR A 107 15.958 -8.054 -2.959 1.00 0.00 O ATOM 1462 CB THR A 107 16.475 -7.241 -5.671 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.729 -7.387 -6.356 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.424 -6.692 -6.622 1.00 0.00 C ATOM 0 H THR A 107 18.687 -6.755 -4.673 1.00 0.00 H new ATOM 0 HA THR A 107 16.281 -5.325 -4.718 1.00 0.00 H new ATOM 0 HB THR A 107 16.138 -8.215 -5.317 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.613 -7.979 -7.128 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.315 -7.365 -7.472 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.470 -6.608 -6.101 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.732 -5.708 -6.976 1.00 0.00 H new ATOM 1472 N SER A 108 15.100 -6.005 -2.643 1.00 0.00 N ATOM 1473 CA SER A 108 14.370 -6.378 -1.449 1.00 0.00 C ATOM 1474 C SER A 108 12.909 -6.644 -1.773 1.00 0.00 C ATOM 1475 O SER A 108 12.336 -6.010 -2.657 1.00 0.00 O ATOM 1476 CB SER A 108 14.484 -5.258 -0.413 1.00 0.00 C ATOM 1477 OG SER A 108 15.441 -4.288 -0.813 1.00 0.00 O ATOM 0 H SER A 108 14.969 -5.036 -2.933 1.00 0.00 H new ATOM 0 HA SER A 108 14.800 -7.294 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.513 -4.782 -0.279 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.769 -5.678 0.552 1.00 0.00 H new ATOM 0 HG SER A 108 16.183 -4.732 -1.274 1.00 0.00 H new ATOM 1483 N ASN A 109 12.312 -7.595 -1.079 1.00 0.00 N ATOM 1484 CA ASN A 109 10.887 -7.835 -1.217 1.00 0.00 C ATOM 1485 C ASN A 109 10.144 -7.207 -0.054 1.00 0.00 C ATOM 1486 O ASN A 109 10.620 -7.220 1.086 1.00 0.00 O ATOM 1487 CB ASN A 109 10.573 -9.340 -1.320 1.00 0.00 C ATOM 1488 CG ASN A 109 10.445 -10.048 0.024 1.00 0.00 C ATOM 1489 OD1 ASN A 109 9.455 -9.888 0.745 1.00 0.00 O ATOM 1490 ND2 ASN A 109 11.435 -10.857 0.358 1.00 0.00 N ATOM 0 H ASN A 109 12.787 -8.210 -0.418 1.00 0.00 H new ATOM 0 HA ASN A 109 10.551 -7.372 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 109 9.644 -9.468 -1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.359 -9.824 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 109 11.397 -11.374 1.236 1.00 0.00 H new ATOM 0 HD22 ASN A 109 12.237 -10.964 -0.263 1.00 0.00 H new ATOM 1497 N TYR A 110 9.000 -6.623 -0.349 1.00 0.00 N ATOM 1498 CA TYR A 110 8.131 -6.113 0.689 1.00 0.00 C ATOM 1499 C TYR A 110 6.921 -7.015 0.806 1.00 0.00 C ATOM 1500 O TYR A 110 6.409 -7.511 -0.195 1.00 0.00 O ATOM 1501 CB TYR A 110 7.687 -4.669 0.409 1.00 0.00 C ATOM 1502 CG TYR A 110 7.206 -4.420 -1.008 1.00 0.00 C ATOM 1503 CD1 TYR A 110 5.901 -4.716 -1.384 1.00 0.00 C ATOM 1504 CD2 TYR A 110 8.057 -3.883 -1.968 1.00 0.00 C ATOM 1505 CE1 TYR A 110 5.460 -4.493 -2.673 1.00 0.00 C ATOM 1506 CE2 TYR A 110 7.623 -3.657 -3.259 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.325 -3.964 -3.607 1.00 0.00 C ATOM 1508 OH TYR A 110 5.891 -3.746 -4.892 1.00 0.00 O ATOM 0 H TYR A 110 8.652 -6.490 -1.299 1.00 0.00 H new ATOM 0 HA TYR A 110 8.687 -6.103 1.627 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.887 -4.408 1.102 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.521 -3.999 0.619 1.00 0.00 H new ATOM 0 HD1 TYR A 110 5.220 -5.128 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.074 -3.639 -1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 110 4.443 -4.732 -2.948 1.00 0.00 H new ATOM 0 HE2 TYR A 110 8.298 -3.241 -3.993 1.00 0.00 H new ATOM 0 HH TYR A 110 6.622 -3.369 -5.425 1.00 0.00 H new ATOM 1518 N SER A 111 6.487 -7.252 2.021 1.00 0.00 N ATOM 1519 CA SER A 111 5.292 -8.030 2.248 1.00 0.00 C ATOM 1520 C SER A 111 4.163 -7.093 2.647 1.00 0.00 C ATOM 1521 O SER A 111 3.977 -6.782 3.823 1.00 0.00 O ATOM 1522 CB SER A 111 5.555 -9.081 3.322 1.00 0.00 C ATOM 1523 OG SER A 111 6.951 -9.255 3.517 1.00 0.00 O ATOM 0 H SER A 111 6.944 -6.917 2.869 1.00 0.00 H new ATOM 0 HA SER A 111 5.002 -8.554 1.337 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.086 -8.778 4.258 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.102 -10.028 3.031 1.00 0.00 H new ATOM 0 HG SER A 111 7.294 -8.534 4.085 1.00 0.00 H new ATOM 1529 N LEU A 112 3.437 -6.615 1.652 1.00 0.00 N ATOM 1530 CA LEU A 112 2.399 -5.619 1.874 1.00 0.00 C ATOM 1531 C LEU A 112 1.053 -6.287 2.113 1.00 0.00 C ATOM 1532 O LEU A 112 0.384 -6.707 1.173 1.00 0.00 O ATOM 1533 CB LEU A 112 2.317 -4.668 0.675 1.00 0.00 C ATOM 1534 CG LEU A 112 1.214 -3.609 0.748 1.00 0.00 C ATOM 1535 CD1 LEU A 112 1.342 -2.786 2.020 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.258 -2.710 -0.479 1.00 0.00 C ATOM 0 H LEU A 112 3.546 -6.900 0.679 1.00 0.00 H new ATOM 0 HA LEU A 112 2.656 -5.044 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.276 -4.162 0.569 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.168 -5.261 -0.227 1.00 0.00 H new ATOM 0 HG LEU A 112 0.250 -4.118 0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.548 -2.039 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.259 -3.441 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.311 -2.287 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 112 0.467 -1.963 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.226 -2.211 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.113 -3.312 -1.376 1.00 0.00 H new ATOM 1548 N ASP A 113 0.661 -6.381 3.373 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.618 -6.982 3.723 1.00 0.00 C ATOM 1550 C ASP A 113 -1.723 -5.945 3.620 1.00 0.00 C ATOM 1551 O ASP A 113 -1.947 -5.161 4.547 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.583 -7.555 5.139 1.00 0.00 C ATOM 1553 CG ASP A 113 -0.292 -9.039 5.172 1.00 0.00 C ATOM 1554 OD1 ASP A 113 -0.570 -9.734 4.178 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.227 -9.516 6.205 1.00 0.00 O ATOM 0 H ASP A 113 1.207 -6.051 4.169 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.814 -7.796 3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 113 0.176 -7.029 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.541 -7.368 5.624 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.388 -5.924 2.479 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.495 -5.009 2.257 1.00 0.00 C ATOM 1562 C ALA A 114 -4.813 -5.742 2.433 1.00 0.00 C ATOM 1563 O ALA A 114 -4.850 -6.972 2.410 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.403 -4.394 0.867 1.00 0.00 C ATOM 0 H ALA A 114 -2.180 -6.533 1.688 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.443 -4.203 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.239 -3.711 0.715 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.465 -3.846 0.773 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.439 -5.184 0.117 1.00 0.00 H new ATOM 1570 N THR A 115 -5.892 -5.000 2.600 1.00 0.00 N ATOM 1571 CA THR A 115 -7.197 -5.606 2.775 1.00 0.00 C ATOM 1572 C THR A 115 -7.865 -5.832 1.425 1.00 0.00 C ATOM 1573 O THR A 115 -8.441 -4.912 0.837 1.00 0.00 O ATOM 1574 CB THR A 115 -8.105 -4.728 3.655 1.00 0.00 C ATOM 1575 OG1 THR A 115 -7.511 -3.434 3.834 1.00 0.00 O ATOM 1576 CG2 THR A 115 -8.335 -5.378 5.010 1.00 0.00 C ATOM 0 H THR A 115 -5.890 -3.980 2.618 1.00 0.00 H new ATOM 0 HA THR A 115 -7.051 -6.565 3.272 1.00 0.00 H new ATOM 0 HB THR A 115 -9.067 -4.620 3.154 1.00 0.00 H new ATOM 0 HG1 THR A 115 -8.215 -2.768 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 115 -8.979 -4.740 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.812 -6.348 4.872 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.379 -5.512 5.516 1.00 0.00 H new ATOM 1584 N VAL A 116 -7.762 -7.054 0.922 1.00 0.00 N ATOM 1585 CA VAL A 116 -8.387 -7.403 -0.339 1.00 0.00 C ATOM 1586 C VAL A 116 -9.903 -7.418 -0.179 1.00 0.00 C ATOM 1587 O VAL A 116 -10.474 -8.290 0.477 1.00 0.00 O ATOM 1588 CB VAL A 116 -7.878 -8.761 -0.893 1.00 0.00 C ATOM 1589 CG1 VAL A 116 -8.034 -9.881 0.130 1.00 0.00 C ATOM 1590 CG2 VAL A 116 -8.589 -9.116 -2.196 1.00 0.00 C ATOM 0 H VAL A 116 -7.252 -7.816 1.369 1.00 0.00 H new ATOM 0 HA VAL A 116 -8.109 -6.643 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.813 -8.651 -1.100 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.667 -10.815 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.460 -9.639 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -9.086 -9.990 0.392 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -8.216 -10.071 -2.565 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -9.662 -9.190 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -8.398 -8.341 -2.938 1.00 0.00 H new ATOM 1600 N HIS A 117 -10.548 -6.421 -0.751 1.00 0.00 N ATOM 1601 CA HIS A 117 -11.986 -6.295 -0.629 1.00 0.00 C ATOM 1602 C HIS A 117 -12.674 -7.383 -1.429 1.00 0.00 C ATOM 1603 O HIS A 117 -13.304 -8.279 -0.861 1.00 0.00 O ATOM 1604 CB HIS A 117 -12.443 -4.916 -1.094 1.00 0.00 C ATOM 1605 CG HIS A 117 -12.738 -3.988 0.038 1.00 0.00 C ATOM 1606 ND1 HIS A 117 -13.963 -3.926 0.658 1.00 0.00 N ATOM 1607 CD2 HIS A 117 -11.948 -3.103 0.686 1.00 0.00 C ATOM 1608 CE1 HIS A 117 -13.917 -3.042 1.633 1.00 0.00 C ATOM 1609 NE2 HIS A 117 -12.704 -2.527 1.675 1.00 0.00 N ATOM 0 H HIS A 117 -10.101 -5.689 -1.303 1.00 0.00 H new ATOM 0 HA HIS A 117 -12.260 -6.409 0.420 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -11.670 -4.477 -1.725 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -13.335 -5.024 -1.711 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -10.913 -2.889 0.466 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -14.735 -2.782 2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -12.381 -1.818 2.334 1.00 0.00 H new ATOM 1618 N ASP A 118 -12.520 -7.312 -2.743 1.00 0.00 N ATOM 1619 CA ASP A 118 -13.120 -8.280 -3.646 1.00 0.00 C ATOM 1620 C ASP A 118 -12.673 -8.010 -5.075 1.00 0.00 C ATOM 1621 O ASP A 118 -11.703 -7.282 -5.305 1.00 0.00 O ATOM 1622 CB ASP A 118 -14.655 -8.241 -3.567 1.00 0.00 C ATOM 1623 CG ASP A 118 -15.222 -6.834 -3.655 1.00 0.00 C ATOM 1624 OD1 ASP A 118 -15.409 -6.328 -4.778 1.00 0.00 O ATOM 1625 OD2 ASP A 118 -15.494 -6.230 -2.595 1.00 0.00 O ATOM 0 H ASP A 118 -11.978 -6.585 -3.210 1.00 0.00 H new ATOM 0 HA ASP A 118 -12.787 -9.272 -3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -15.070 -8.844 -4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -14.976 -8.698 -2.631 1.00 0.00 H new ATOM 1630 N ASP A 119 -13.386 -8.602 -6.020 1.00 0.00 N ATOM 1631 CA ASP A 119 -13.094 -8.447 -7.437 1.00 0.00 C ATOM 1632 C ASP A 119 -13.395 -7.026 -7.892 1.00 0.00 C ATOM 1633 O ASP A 119 -14.558 -6.627 -7.984 1.00 0.00 O ATOM 1634 CB ASP A 119 -13.934 -9.441 -8.234 1.00 0.00 C ATOM 1635 CG ASP A 119 -13.442 -9.635 -9.649 1.00 0.00 C ATOM 1636 OD1 ASP A 119 -13.736 -8.781 -10.511 1.00 0.00 O ATOM 1637 OD2 ASP A 119 -12.791 -10.666 -9.914 1.00 0.00 O ATOM 0 H ASP A 119 -14.185 -9.205 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 119 -12.035 -8.643 -7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.932 -10.402 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -14.967 -9.095 -8.260 1.00 0.00 H new ATOM 1642 N LYS A 120 -12.354 -6.261 -8.176 1.00 0.00 N ATOM 1643 CA LYS A 120 -12.526 -4.876 -8.567 1.00 0.00 C ATOM 1644 C LYS A 120 -11.813 -4.590 -9.884 1.00 0.00 C ATOM 1645 O LYS A 120 -11.568 -5.501 -10.676 1.00 0.00 O ATOM 1646 CB LYS A 120 -12.038 -3.941 -7.459 1.00 0.00 C ATOM 1647 CG LYS A 120 -13.055 -3.748 -6.341 1.00 0.00 C ATOM 1648 CD LYS A 120 -13.736 -2.389 -6.424 1.00 0.00 C ATOM 1649 CE LYS A 120 -15.047 -2.458 -7.194 1.00 0.00 C ATOM 1650 NZ LYS A 120 -15.249 -1.259 -8.053 1.00 0.00 N ATOM 0 H LYS A 120 -11.385 -6.576 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 120 -13.589 -4.692 -8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -11.116 -4.340 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -11.796 -2.970 -7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -13.807 -4.535 -6.394 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -12.558 -3.847 -5.376 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -13.925 -2.016 -5.418 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -13.068 -1.677 -6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -15.058 -3.355 -7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -15.876 -2.546 -6.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -15.794 -1.525 -8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -15.769 -0.533 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -14.325 -0.880 -8.343 1.00 0.00 H new ATOM 1664 N GLU A 121 -11.470 -3.332 -10.113 1.00 0.00 N ATOM 1665 CA GLU A 121 -11.020 -2.904 -11.429 1.00 0.00 C ATOM 1666 C GLU A 121 -9.514 -2.657 -11.491 1.00 0.00 C ATOM 1667 O GLU A 121 -8.721 -3.599 -11.512 1.00 0.00 O ATOM 1668 CB GLU A 121 -11.773 -1.645 -11.865 1.00 0.00 C ATOM 1669 CG GLU A 121 -12.757 -1.114 -10.832 1.00 0.00 C ATOM 1670 CD GLU A 121 -12.081 -0.354 -9.711 1.00 0.00 C ATOM 1671 OE1 GLU A 121 -10.957 0.145 -9.919 1.00 0.00 O ATOM 1672 OE2 GLU A 121 -12.666 -0.272 -8.609 1.00 0.00 O ATOM 0 H GLU A 121 -11.494 -2.593 -9.410 1.00 0.00 H new ATOM 0 HA GLU A 121 -11.239 -3.722 -12.115 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -11.048 -0.864 -12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -12.313 -1.860 -12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -13.476 -0.460 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -13.320 -1.947 -10.411 1.00 0.00 H new ATOM 1679 N ASP A 122 -9.126 -1.386 -11.502 1.00 0.00 N ATOM 1680 CA ASP A 122 -7.767 -0.997 -11.868 1.00 0.00 C ATOM 1681 C ASP A 122 -6.829 -0.948 -10.666 1.00 0.00 C ATOM 1682 O ASP A 122 -7.180 -1.360 -9.559 1.00 0.00 O ATOM 1683 CB ASP A 122 -7.777 0.368 -12.565 1.00 0.00 C ATOM 1684 CG ASP A 122 -6.779 0.451 -13.708 1.00 0.00 C ATOM 1685 OD1 ASP A 122 -5.597 0.097 -13.505 1.00 0.00 O ATOM 1686 OD2 ASP A 122 -7.173 0.871 -14.814 1.00 0.00 O ATOM 0 H ASP A 122 -9.735 -0.604 -11.261 1.00 0.00 H new ATOM 0 HA ASP A 122 -7.392 -1.762 -12.548 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -8.778 0.569 -12.947 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -7.552 1.146 -11.835 1.00 0.00 H new ATOM 1691 N SER A 123 -5.632 -0.438 -10.920 1.00 0.00 N ATOM 1692 CA SER A 123 -4.580 -0.327 -9.926 1.00 0.00 C ATOM 1693 C SER A 123 -3.416 0.460 -10.518 1.00 0.00 C ATOM 1694 O SER A 123 -2.797 0.014 -11.488 1.00 0.00 O ATOM 1695 CB SER A 123 -4.100 -1.719 -9.499 1.00 0.00 C ATOM 1696 OG SER A 123 -4.234 -2.664 -10.557 1.00 0.00 O ATOM 0 H SER A 123 -5.363 -0.085 -11.838 1.00 0.00 H new ATOM 0 HA SER A 123 -4.968 0.190 -9.049 1.00 0.00 H new ATOM 0 HB2 SER A 123 -3.057 -1.666 -9.187 1.00 0.00 H new ATOM 0 HB3 SER A 123 -4.674 -2.054 -8.635 1.00 0.00 H new ATOM 0 HG SER A 123 -3.417 -3.202 -10.620 1.00 0.00 H new ATOM 1702 N ASP A 124 -3.131 1.635 -9.965 1.00 0.00 N ATOM 1703 CA ASP A 124 -2.024 2.447 -10.464 1.00 0.00 C ATOM 1704 C ASP A 124 -0.707 1.940 -9.899 1.00 0.00 C ATOM 1705 O ASP A 124 -0.154 2.498 -8.954 1.00 0.00 O ATOM 1706 CB ASP A 124 -2.205 3.930 -10.127 1.00 0.00 C ATOM 1707 CG ASP A 124 -1.242 4.813 -10.907 1.00 0.00 C ATOM 1708 OD1 ASP A 124 -1.387 4.906 -12.148 1.00 0.00 O ATOM 1709 OD2 ASP A 124 -0.332 5.412 -10.291 1.00 0.00 O ATOM 0 H ASP A 124 -3.642 2.043 -9.182 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.013 2.355 -11.550 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.230 4.229 -10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -2.051 4.081 -9.059 1.00 0.00 H new ATOM 1714 N VAL A 125 -0.230 0.852 -10.469 1.00 0.00 N ATOM 1715 CA VAL A 125 1.029 0.267 -10.057 1.00 0.00 C ATOM 1716 C VAL A 125 2.025 0.316 -11.207 1.00 0.00 C ATOM 1717 O VAL A 125 1.748 -0.156 -12.310 1.00 0.00 O ATOM 1718 CB VAL A 125 0.848 -1.192 -9.564 1.00 0.00 C ATOM 1719 CG1 VAL A 125 -0.056 -1.979 -10.501 1.00 0.00 C ATOM 1720 CG2 VAL A 125 2.193 -1.889 -9.401 1.00 0.00 C ATOM 0 H VAL A 125 -0.699 0.352 -11.224 1.00 0.00 H new ATOM 0 HA VAL A 125 1.413 0.851 -9.221 1.00 0.00 H new ATOM 0 HB VAL A 125 0.369 -1.152 -8.586 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -0.165 -2.998 -10.131 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -1.035 -1.503 -10.547 1.00 0.00 H new ATOM 0 HG13 VAL A 125 0.384 -2.000 -11.498 1.00 0.00 H new ATOM 0 HG21 VAL A 125 2.034 -2.910 -9.054 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.712 -1.908 -10.360 1.00 0.00 H new ATOM 0 HG23 VAL A 125 2.797 -1.348 -8.672 1.00 0.00 H new ATOM 1730 N LEU A 126 3.171 0.923 -10.950 1.00 0.00 N ATOM 1731 CA LEU A 126 4.225 1.015 -11.945 1.00 0.00 C ATOM 1732 C LEU A 126 5.521 0.473 -11.364 1.00 0.00 C ATOM 1733 O LEU A 126 5.815 0.692 -10.190 1.00 0.00 O ATOM 1734 CB LEU A 126 4.406 2.473 -12.394 1.00 0.00 C ATOM 1735 CG LEU A 126 4.825 2.675 -13.859 1.00 0.00 C ATOM 1736 CD1 LEU A 126 6.339 2.776 -13.974 1.00 0.00 C ATOM 1737 CD2 LEU A 126 4.295 1.549 -14.738 1.00 0.00 C ATOM 0 H LEU A 126 3.396 1.361 -10.057 1.00 0.00 H new ATOM 0 HA LEU A 126 3.950 0.420 -12.816 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.469 3.004 -12.228 1.00 0.00 H new ATOM 0 HB3 LEU A 126 5.155 2.940 -11.754 1.00 0.00 H new ATOM 0 HG LEU A 126 4.389 3.611 -14.209 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.616 2.919 -15.019 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.693 3.623 -13.386 1.00 0.00 H new ATOM 0 HD13 LEU A 126 6.794 1.859 -13.600 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.605 1.716 -15.769 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.693 0.596 -14.389 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.206 1.528 -14.686 1.00 0.00 H new ATOM 1749 N THR A 127 6.274 -0.253 -12.176 1.00 0.00 N ATOM 1750 CA THR A 127 7.546 -0.814 -11.754 1.00 0.00 C ATOM 1751 C THR A 127 8.574 0.290 -11.518 1.00 0.00 C ATOM 1752 O THR A 127 9.319 0.655 -12.427 1.00 0.00 O ATOM 1753 CB THR A 127 8.072 -1.799 -12.810 1.00 0.00 C ATOM 1754 OG1 THR A 127 7.065 -2.008 -13.816 1.00 0.00 O ATOM 1755 CG2 THR A 127 8.445 -3.129 -12.174 1.00 0.00 C ATOM 0 H THR A 127 6.022 -0.468 -13.141 1.00 0.00 H new ATOM 0 HA THR A 127 7.387 -1.347 -10.817 1.00 0.00 H new ATOM 0 HB THR A 127 8.966 -1.374 -13.266 1.00 0.00 H new ATOM 0 HG1 THR A 127 7.401 -2.635 -14.490 1.00 0.00 H new ATOM 0 HG21 THR A 127 8.814 -3.809 -12.942 1.00 0.00 H new ATOM 0 HG22 THR A 127 9.222 -2.970 -11.426 1.00 0.00 H new ATOM 0 HG23 THR A 127 7.566 -3.563 -11.697 1.00 0.00 H new ATOM 1763 N LYS A 128 8.579 0.826 -10.299 1.00 0.00 N ATOM 1764 CA LYS A 128 9.504 1.885 -9.903 1.00 0.00 C ATOM 1765 C LYS A 128 9.206 3.179 -10.658 1.00 0.00 C ATOM 1766 O LYS A 128 9.963 3.589 -11.540 1.00 0.00 O ATOM 1767 CB LYS A 128 10.960 1.452 -10.124 1.00 0.00 C ATOM 1768 CG LYS A 128 11.952 2.127 -9.187 1.00 0.00 C ATOM 1769 CD LYS A 128 12.915 3.032 -9.947 1.00 0.00 C ATOM 1770 CE LYS A 128 13.550 2.311 -11.128 1.00 0.00 C ATOM 1771 NZ LYS A 128 14.298 3.243 -12.014 1.00 0.00 N ATOM 0 H LYS A 128 7.941 0.538 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 128 9.363 2.072 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 128 11.031 0.372 -9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 128 11.242 1.670 -11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 128 11.411 2.713 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 128 12.516 1.368 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 128 12.382 3.914 -10.303 1.00 0.00 H new ATOM 0 HD3 LYS A 128 13.696 3.382 -9.272 1.00 0.00 H new ATOM 0 HE2 LYS A 128 14.226 1.539 -10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 128 12.774 1.807 -11.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 14.714 2.711 -12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 13.648 3.965 -12.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 15.055 3.705 -11.471 1.00 0.00 H new ATOM 1785 N CYS A 129 8.086 3.806 -10.321 1.00 0.00 N ATOM 1786 CA CYS A 129 7.725 5.089 -10.909 1.00 0.00 C ATOM 1787 C CYS A 129 8.573 6.204 -10.301 1.00 0.00 C ATOM 1788 O CYS A 129 8.601 6.375 -9.079 1.00 0.00 O ATOM 1789 CB CYS A 129 6.237 5.385 -10.690 1.00 0.00 C ATOM 1790 SG CYS A 129 5.491 4.478 -9.292 1.00 0.00 S ATOM 0 H CYS A 129 7.413 3.447 -9.644 1.00 0.00 H new ATOM 0 HA CYS A 129 7.915 5.041 -11.981 1.00 0.00 H new ATOM 0 HB2 CYS A 129 6.112 6.455 -10.523 1.00 0.00 H new ATOM 0 HB3 CYS A 129 5.691 5.139 -11.601 1.00 0.00 H new ATOM 1795 N PRO A 130 9.286 6.966 -11.143 1.00 0.00 N ATOM 1796 CA PRO A 130 10.164 8.047 -10.687 1.00 0.00 C ATOM 1797 C PRO A 130 9.397 9.324 -10.342 1.00 0.00 C ATOM 1798 O PRO A 130 9.683 10.400 -10.874 1.00 0.00 O ATOM 1799 CB PRO A 130 11.079 8.275 -11.888 1.00 0.00 C ATOM 1800 CG PRO A 130 10.251 7.905 -13.073 1.00 0.00 C ATOM 1801 CD PRO A 130 9.299 6.829 -12.614 1.00 0.00 C ATOM 0 HA PRO A 130 10.692 7.787 -9.769 1.00 0.00 H new ATOM 0 HB2 PRO A 130 11.408 9.313 -11.944 1.00 0.00 H new ATOM 0 HB3 PRO A 130 11.976 7.659 -11.824 1.00 0.00 H new ATOM 0 HG2 PRO A 130 9.705 8.770 -13.450 1.00 0.00 H new ATOM 0 HG3 PRO A 130 10.879 7.545 -13.888 1.00 0.00 H new ATOM 0 HD2 PRO A 130 8.304 6.970 -13.037 1.00 0.00 H new ATOM 0 HD3 PRO A 130 9.638 5.839 -12.920 1.00 0.00 H new ATOM 1809 N VAL A 131 8.417 9.198 -9.460 1.00 0.00 N ATOM 1810 CA VAL A 131 7.634 10.341 -9.018 1.00 0.00 C ATOM 1811 C VAL A 131 7.445 10.283 -7.511 1.00 0.00 C ATOM 1812 O VAL A 131 7.850 11.243 -6.825 1.00 0.00 O ATOM 1813 CB VAL A 131 6.247 10.417 -9.701 1.00 0.00 C ATOM 1814 CG1 VAL A 131 6.185 11.604 -10.650 1.00 0.00 C ATOM 1815 CG2 VAL A 131 5.915 9.123 -10.434 1.00 0.00 C ATOM 1816 OXT VAL A 131 6.924 9.261 -7.022 1.00 0.00 O ATOM 0 H VAL A 131 8.145 8.312 -9.035 1.00 0.00 H new ATOM 0 HA VAL A 131 8.190 11.235 -9.302 1.00 0.00 H new ATOM 0 HB VAL A 131 5.498 10.555 -8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 131 5.203 11.642 -11.121 1.00 0.00 H new ATOM 0 HG12 VAL A 131 6.356 12.525 -10.092 1.00 0.00 H new ATOM 0 HG13 VAL A 131 6.952 11.497 -11.417 1.00 0.00 H new ATOM 0 HG21 VAL A 131 4.934 9.211 -10.902 1.00 0.00 H new ATOM 0 HG22 VAL A 131 6.667 8.936 -11.200 1.00 0.00 H new ATOM 0 HG23 VAL A 131 5.906 8.295 -9.725 1.00 0.00 H new TER 1826 VAL A 131