USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 804 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 26 THR OG1 : rot 87:sc= 0.126 USER MOD Set 1.2: A 38 THR OG1 : rot -67:sc= 1.17 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 143:sc= 0.277 (180deg=0) USER MOD Set 2.2: A 78 THR OG1 : rot -37:sc= 0.566 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0575) USER MOD Single : A 11 TYR OH : rot -111:sc= 1.27 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0127 USER MOD Single : A 18 LYS NZ :NH3+ -145:sc= 0.9 (180deg=0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= 0.249 K(o=0.25,f=-1.3) USER MOD Single : A 21 ASN : amide:sc= -0.272 K(o=-0.27,f=-7.4!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0506 X(o=-0.051,f=-0.23) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0462 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0298 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -0.0646 F(o=-1.3,f=-0.065) USER MOD Single : A 32 HIS : no HD1:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= 1.14 (180deg=0.337) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.78 X(o=-0.78,f=-0.78) USER MOD Single : A 54 GLN : amide:sc= -0.074 X(o=-0.074,f=-0.14) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.896 USER MOD Single : A 62 ASN : amide:sc=-0.00557 K(o=-0.0056,f=-0.83) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 69 SER OG : rot 180:sc= 0.123 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 76 SER OG : rot 71:sc= 0.988 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HE2:sc= 0.174 K(o=0.17,f=-2.7!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0856) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0107 USER MOD Single : A 94 LYS NZ :NH3+ 153:sc= 0.834! (180deg=0.633!) USER MOD Single : A 96 MET CE :methyl 160:sc= -0.122 (180deg=-0.699) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0884 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0362 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 18.554 -11.773 17.414 1.00 0.86 N ATOM 21 CA ALA A 2 17.357 -11.626 16.602 1.00 0.87 C ATOM 22 C ALA A 2 17.719 -11.101 15.221 1.00 0.72 C ATOM 23 O ALA A 2 17.954 -9.905 15.043 1.00 0.87 O ATOM 24 CB ALA A 2 16.363 -10.699 17.281 1.00 1.10 C ATOM 0 HA ALA A 2 16.891 -12.605 16.490 1.00 0.87 H new ATOM 0 HB1 ALA A 2 15.473 -10.601 16.659 1.00 1.10 H new ATOM 0 HB2 ALA A 2 16.084 -11.112 18.250 1.00 1.10 H new ATOM 0 HB3 ALA A 2 16.817 -9.718 17.422 1.00 1.10 H new ATOM 30 N ALA A 3 17.774 -12.003 14.253 1.00 0.71 N ATOM 31 CA ALA A 3 18.113 -11.644 12.887 1.00 0.72 C ATOM 32 C ALA A 3 17.489 -12.623 11.901 1.00 0.70 C ATOM 33 O ALA A 3 17.963 -13.750 11.745 1.00 1.05 O ATOM 34 CB ALA A 3 19.625 -11.611 12.709 1.00 0.96 C ATOM 0 H ALA A 3 17.586 -12.996 14.391 1.00 0.71 H new ATOM 0 HA ALA A 3 17.713 -10.650 12.685 1.00 0.72 H new ATOM 0 HB1 ALA A 3 19.864 -11.341 11.681 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.055 -10.874 13.387 1.00 0.96 H new ATOM 0 HB3 ALA A 3 20.039 -12.594 12.931 1.00 0.96 H new ATOM 40 N GLN A 4 16.419 -12.199 11.246 1.00 0.66 N ATOM 41 CA GLN A 4 15.743 -13.043 10.275 1.00 0.68 C ATOM 42 C GLN A 4 15.298 -12.229 9.069 1.00 0.66 C ATOM 43 O GLN A 4 14.805 -11.109 9.202 1.00 0.81 O ATOM 44 CB GLN A 4 14.544 -13.761 10.906 1.00 0.83 C ATOM 45 CG GLN A 4 13.634 -12.866 11.735 1.00 0.97 C ATOM 46 CD GLN A 4 12.289 -13.509 12.017 1.00 1.33 C ATOM 47 OE1 GLN A 4 12.163 -14.736 12.044 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.277 -12.689 12.242 1.00 1.63 N ATOM 0 H GLN A 4 16.001 -11.277 11.369 1.00 0.66 H new ATOM 0 HA GLN A 4 16.454 -13.798 9.940 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.955 -14.221 10.113 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.913 -14.568 11.539 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.125 -12.628 12.679 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.480 -11.923 11.210 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.422 -11.680 12.211 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.351 -13.065 12.447 1.00 1.63 H new ATOM 57 N SER A 5 15.501 -12.792 7.893 1.00 0.71 N ATOM 58 CA SER A 5 15.117 -12.140 6.657 1.00 0.76 C ATOM 59 C SER A 5 14.057 -12.976 5.954 1.00 0.73 C ATOM 60 O SER A 5 14.283 -13.508 4.864 1.00 1.11 O ATOM 61 CB SER A 5 16.338 -11.958 5.758 1.00 0.98 C ATOM 62 OG SER A 5 17.537 -11.987 6.519 1.00 1.18 O ATOM 0 H SER A 5 15.933 -13.707 7.768 1.00 0.71 H new ATOM 0 HA SER A 5 14.705 -11.155 6.878 1.00 0.76 H new ATOM 0 HB2 SER A 5 16.361 -12.746 5.005 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.264 -11.010 5.225 1.00 0.98 H new ATOM 0 HG SER A 5 18.306 -11.870 5.923 1.00 1.18 H new ATOM 68 N ASP A 6 12.910 -13.106 6.604 1.00 0.62 N ATOM 69 CA ASP A 6 11.808 -13.896 6.069 1.00 0.68 C ATOM 70 C ASP A 6 11.026 -13.113 5.028 1.00 0.58 C ATOM 71 O ASP A 6 10.607 -11.981 5.271 1.00 0.80 O ATOM 72 CB ASP A 6 10.868 -14.335 7.194 1.00 0.89 C ATOM 73 CG ASP A 6 10.624 -15.832 7.201 1.00 1.54 C ATOM 74 OD1 ASP A 6 9.917 -16.337 6.303 1.00 1.98 O ATOM 75 OD2 ASP A 6 11.144 -16.513 8.113 1.00 2.18 O ATOM 0 H ASP A 6 12.717 -12.673 7.507 1.00 0.62 H new ATOM 0 HA ASP A 6 12.235 -14.778 5.592 1.00 0.68 H new ATOM 0 HB2 ASP A 6 11.291 -14.035 8.153 1.00 0.89 H new ATOM 0 HB3 ASP A 6 9.915 -13.816 7.089 1.00 0.89 H new ATOM 80 N LYS A 7 10.855 -13.712 3.860 1.00 0.54 N ATOM 81 CA LYS A 7 10.109 -13.084 2.786 1.00 0.58 C ATOM 82 C LYS A 7 8.785 -13.808 2.600 1.00 0.53 C ATOM 83 O LYS A 7 8.751 -14.982 2.226 1.00 0.85 O ATOM 84 CB LYS A 7 10.920 -13.083 1.481 1.00 0.81 C ATOM 85 CG LYS A 7 12.237 -12.324 1.581 1.00 1.05 C ATOM 86 CD LYS A 7 12.031 -10.929 2.155 1.00 1.24 C ATOM 87 CE LYS A 7 13.349 -10.206 2.353 1.00 1.58 C ATOM 88 NZ LYS A 7 13.207 -9.022 3.242 1.00 1.91 N ATOM 0 H LYS A 7 11.225 -14.635 3.633 1.00 0.54 H new ATOM 0 HA LYS A 7 9.913 -12.045 3.051 1.00 0.58 H new ATOM 0 HB2 LYS A 7 11.125 -14.113 1.190 1.00 0.81 H new ATOM 0 HB3 LYS A 7 10.316 -12.642 0.688 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.932 -12.879 2.211 1.00 1.05 H new ATOM 0 HG3 LYS A 7 12.692 -12.249 0.593 1.00 1.05 H new ATOM 0 HD2 LYS A 7 11.395 -10.350 1.486 1.00 1.24 H new ATOM 0 HD3 LYS A 7 11.508 -11.001 3.109 1.00 1.24 H new ATOM 0 HE2 LYS A 7 14.079 -10.894 2.779 1.00 1.58 H new ATOM 0 HE3 LYS A 7 13.737 -9.888 1.385 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 14.053 -8.933 3.840 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 13.100 -8.164 2.664 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 12.368 -9.139 3.845 1.00 1.91 H new ATOM 102 N ASP A 8 7.701 -13.115 2.899 1.00 0.50 N ATOM 103 CA ASP A 8 6.371 -13.687 2.782 1.00 0.54 C ATOM 104 C ASP A 8 5.482 -12.788 1.934 1.00 0.51 C ATOM 105 O ASP A 8 5.722 -11.582 1.833 1.00 0.83 O ATOM 106 CB ASP A 8 5.764 -13.880 4.173 1.00 0.75 C ATOM 107 CG ASP A 8 4.482 -14.694 4.158 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.253 -15.446 3.186 1.00 1.72 O ATOM 109 OD2 ASP A 8 3.700 -14.599 5.133 1.00 1.44 O ATOM 0 H ASP A 8 7.716 -12.149 3.227 1.00 0.50 H new ATOM 0 HA ASP A 8 6.445 -14.658 2.292 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.493 -14.374 4.815 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.562 -12.903 4.613 1.00 0.75 H new ATOM 114 N VAL A 9 4.473 -13.378 1.317 1.00 0.39 N ATOM 115 CA VAL A 9 3.547 -12.637 0.481 1.00 0.35 C ATOM 116 C VAL A 9 2.106 -12.992 0.856 1.00 0.33 C ATOM 117 O VAL A 9 1.516 -13.946 0.348 1.00 0.44 O ATOM 118 CB VAL A 9 3.818 -12.882 -1.029 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.868 -14.370 -1.351 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.783 -12.172 -1.891 1.00 0.47 C ATOM 0 H VAL A 9 4.274 -14.376 1.381 1.00 0.39 H new ATOM 0 HA VAL A 9 3.699 -11.573 0.659 1.00 0.35 H new ATOM 0 HB VAL A 9 4.797 -12.462 -1.261 1.00 0.44 H new ATOM 0 HG11 VAL A 9 4.059 -14.506 -2.415 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.666 -14.840 -0.776 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.915 -14.831 -1.092 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.996 -12.360 -2.943 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.789 -12.547 -1.649 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.823 -11.100 -1.698 1.00 0.47 H new ATOM 130 N LYS A 10 1.556 -12.234 1.789 1.00 0.30 N ATOM 131 CA LYS A 10 0.197 -12.459 2.248 1.00 0.34 C ATOM 132 C LYS A 10 -0.799 -11.689 1.391 1.00 0.34 C ATOM 133 O LYS A 10 -0.740 -10.465 1.292 1.00 0.48 O ATOM 134 CB LYS A 10 0.059 -12.055 3.717 1.00 0.42 C ATOM 135 CG LYS A 10 -1.283 -12.429 4.325 1.00 0.93 C ATOM 136 CD LYS A 10 -1.122 -13.351 5.524 1.00 0.98 C ATOM 137 CE LYS A 10 -0.608 -14.724 5.114 1.00 1.27 C ATOM 138 NZ LYS A 10 -1.636 -15.511 4.379 1.00 1.97 N ATOM 0 H LYS A 10 2.032 -11.455 2.244 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.024 -13.522 2.154 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.854 -12.529 4.292 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.201 -10.978 3.804 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -1.809 -11.524 4.630 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.900 -12.917 3.571 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.431 -12.902 6.238 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.080 -13.458 6.032 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.275 -14.607 4.486 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.298 -15.274 6.002 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.301 -16.488 4.253 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -2.523 -15.516 4.922 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -1.803 -15.080 3.448 1.00 1.97 H new ATOM 152 N TYR A 11 -1.704 -12.412 0.762 1.00 0.34 N ATOM 153 CA TYR A 11 -2.709 -11.796 -0.080 1.00 0.35 C ATOM 154 C TYR A 11 -3.841 -11.234 0.768 1.00 0.33 C ATOM 155 O TYR A 11 -4.628 -11.978 1.352 1.00 0.39 O ATOM 156 CB TYR A 11 -3.246 -12.800 -1.102 1.00 0.43 C ATOM 157 CG TYR A 11 -2.420 -12.872 -2.366 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.140 -13.406 -2.354 1.00 0.85 C ATOM 159 CD2 TYR A 11 -2.919 -12.393 -3.567 1.00 0.81 C ATOM 160 CE1 TYR A 11 -0.379 -13.461 -3.505 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.164 -12.442 -4.724 1.00 0.95 C ATOM 162 CZ TYR A 11 -0.895 -12.975 -4.688 1.00 0.83 C ATOM 163 OH TYR A 11 -0.136 -13.016 -5.838 1.00 1.03 O ATOM 0 H TYR A 11 -1.764 -13.429 0.818 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.246 -10.973 -0.624 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.283 -13.789 -0.644 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.270 -12.531 -1.361 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -0.732 -13.785 -1.429 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.914 -11.975 -3.600 1.00 0.81 H new ATOM 0 HE1 TYR A 11 0.615 -13.882 -3.479 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.568 -12.064 -5.652 1.00 0.95 H new ATOM 0 HH TYR A 11 0.111 -12.104 -6.099 1.00 1.03 H new ATOM 173 N TYR A 12 -3.906 -9.917 0.845 1.00 0.37 N ATOM 174 CA TYR A 12 -4.940 -9.249 1.619 1.00 0.41 C ATOM 175 C TYR A 12 -6.137 -8.929 0.734 1.00 0.42 C ATOM 176 O TYR A 12 -6.083 -9.100 -0.485 1.00 0.45 O ATOM 177 CB TYR A 12 -4.402 -7.960 2.252 1.00 0.45 C ATOM 178 CG TYR A 12 -3.249 -8.178 3.214 1.00 0.51 C ATOM 179 CD1 TYR A 12 -3.455 -8.757 4.464 1.00 0.77 C ATOM 180 CD2 TYR A 12 -1.956 -7.792 2.876 1.00 0.70 C ATOM 181 CE1 TYR A 12 -2.402 -8.950 5.341 1.00 0.91 C ATOM 182 CE2 TYR A 12 -0.902 -7.983 3.749 1.00 0.82 C ATOM 183 CZ TYR A 12 -1.131 -8.557 4.981 1.00 0.82 C ATOM 184 OH TYR A 12 -0.083 -8.745 5.852 1.00 1.02 O ATOM 0 H TYR A 12 -3.253 -9.286 0.380 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.254 -9.922 2.417 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -4.077 -7.286 1.459 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.214 -7.461 2.781 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -4.451 -9.060 4.753 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.773 -7.335 1.915 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -2.576 -9.407 6.304 1.00 0.91 H new ATOM 0 HE2 TYR A 12 0.097 -7.684 3.467 1.00 0.82 H new ATOM 0 HH TYR A 12 0.745 -8.414 5.444 1.00 1.02 H new ATOM 194 N THR A 13 -7.220 -8.488 1.350 1.00 0.47 N ATOM 195 CA THR A 13 -8.429 -8.143 0.622 1.00 0.51 C ATOM 196 C THR A 13 -8.537 -6.630 0.434 1.00 0.47 C ATOM 197 O THR A 13 -7.870 -5.861 1.133 1.00 0.46 O ATOM 198 CB THR A 13 -9.675 -8.659 1.363 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.315 -9.050 2.698 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.288 -9.841 0.631 1.00 0.86 C ATOM 0 H THR A 13 -7.287 -8.360 2.360 1.00 0.47 H new ATOM 0 HA THR A 13 -8.374 -8.618 -0.357 1.00 0.51 H new ATOM 0 HB THR A 13 -10.412 -7.857 1.401 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.110 -9.377 3.169 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.167 -10.189 1.173 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.579 -9.535 -0.374 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.558 -10.648 0.568 1.00 0.86 H new ATOM 208 N LEU A 14 -9.367 -6.208 -0.512 1.00 0.50 N ATOM 209 CA LEU A 14 -9.563 -4.789 -0.787 1.00 0.51 C ATOM 210 C LEU A 14 -10.139 -4.074 0.433 1.00 0.48 C ATOM 211 O LEU A 14 -9.759 -2.948 0.748 1.00 0.51 O ATOM 212 CB LEU A 14 -10.497 -4.603 -1.985 1.00 0.58 C ATOM 213 CG LEU A 14 -10.704 -3.154 -2.432 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.635 -2.749 -3.439 1.00 1.00 C ATOM 215 CD2 LEU A 14 -12.097 -2.968 -3.018 1.00 0.95 C ATOM 0 H LEU A 14 -9.917 -6.830 -1.104 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.592 -4.353 -1.020 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -10.101 -5.173 -2.826 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.468 -5.032 -1.738 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.614 -2.507 -1.559 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.797 -1.716 -3.746 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.650 -2.841 -2.981 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.692 -3.400 -4.311 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.225 -1.931 -3.330 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -12.220 -3.624 -3.880 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.845 -3.215 -2.264 1.00 0.95 H new ATOM 227 N GLU A 15 -11.040 -4.747 1.131 1.00 0.50 N ATOM 228 CA GLU A 15 -11.674 -4.184 2.313 1.00 0.53 C ATOM 229 C GLU A 15 -10.761 -4.289 3.536 1.00 0.51 C ATOM 230 O GLU A 15 -11.071 -3.752 4.595 1.00 0.61 O ATOM 231 CB GLU A 15 -13.005 -4.894 2.591 1.00 0.61 C ATOM 232 CG GLU A 15 -12.868 -6.391 2.836 1.00 0.67 C ATOM 233 CD GLU A 15 -13.041 -7.216 1.575 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.246 -7.041 0.626 1.00 0.83 O ATOM 235 OE2 GLU A 15 -13.967 -8.049 1.532 1.00 1.05 O ATOM 0 H GLU A 15 -11.350 -5.690 0.897 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.864 -3.128 2.120 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.475 -4.435 3.461 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.674 -4.734 1.745 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -11.887 -6.595 3.265 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.609 -6.703 3.572 1.00 0.67 H new ATOM 242 N GLU A 16 -9.634 -4.974 3.375 1.00 0.46 N ATOM 243 CA GLU A 16 -8.681 -5.159 4.466 1.00 0.50 C ATOM 244 C GLU A 16 -7.613 -4.070 4.449 1.00 0.46 C ATOM 245 O GLU A 16 -7.331 -3.440 5.471 1.00 0.51 O ATOM 246 CB GLU A 16 -8.020 -6.541 4.352 1.00 0.58 C ATOM 247 CG GLU A 16 -6.940 -6.804 5.392 1.00 1.05 C ATOM 248 CD GLU A 16 -7.503 -6.958 6.785 1.00 1.60 C ATOM 249 OE1 GLU A 16 -7.743 -5.930 7.450 1.00 2.32 O ATOM 250 OE2 GLU A 16 -7.714 -8.112 7.222 1.00 2.19 O ATOM 0 H GLU A 16 -9.357 -5.412 2.497 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.223 -5.092 5.410 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -8.789 -7.308 4.442 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.584 -6.642 3.358 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -6.393 -7.708 5.123 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.223 -5.983 5.382 1.00 1.05 H new ATOM 257 N ILE A 17 -7.038 -3.839 3.276 1.00 0.42 N ATOM 258 CA ILE A 17 -5.983 -2.843 3.119 1.00 0.44 C ATOM 259 C ILE A 17 -6.462 -1.427 3.453 1.00 0.43 C ATOM 260 O ILE A 17 -5.695 -0.619 3.975 1.00 0.48 O ATOM 261 CB ILE A 17 -5.376 -2.867 1.696 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.469 -2.973 0.626 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.393 -4.021 1.564 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.879 -1.641 0.033 1.00 0.98 C ATOM 0 H ILE A 17 -7.285 -4.329 2.416 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.208 -3.116 3.835 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.845 -1.928 1.540 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -6.118 -3.623 -0.175 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.346 -3.451 1.063 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.972 -4.028 0.558 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.591 -3.901 2.292 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -4.911 -4.963 1.747 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.655 -1.799 -0.715 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.262 -0.994 0.822 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -6.015 -1.170 -0.435 1.00 0.98 H new ATOM 276 N LYS A 18 -7.725 -1.133 3.175 1.00 0.42 N ATOM 277 CA LYS A 18 -8.273 0.194 3.452 1.00 0.48 C ATOM 278 C LYS A 18 -9.010 0.210 4.789 1.00 0.50 C ATOM 279 O LYS A 18 -9.848 1.076 5.043 1.00 0.63 O ATOM 280 CB LYS A 18 -9.199 0.652 2.318 1.00 0.56 C ATOM 281 CG LYS A 18 -10.396 -0.254 2.087 1.00 0.53 C ATOM 282 CD LYS A 18 -11.334 0.315 1.031 1.00 0.87 C ATOM 283 CE LYS A 18 -10.693 0.332 -0.351 1.00 1.05 C ATOM 284 NZ LYS A 18 -10.192 1.685 -0.727 1.00 1.48 N ATOM 0 H LYS A 18 -8.388 -1.788 2.761 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.440 0.894 3.514 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.556 1.658 2.540 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -8.622 0.715 1.396 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.052 -1.240 1.775 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.939 -0.387 3.023 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.248 -0.279 1.000 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -11.622 1.329 1.310 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -9.866 -0.378 -0.374 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.421 -0.002 -1.091 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -10.320 1.831 -1.749 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -10.724 2.410 -0.204 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -9.182 1.759 -0.490 1.00 1.48 H new ATOM 298 N LYS A 19 -8.694 -0.755 5.640 1.00 0.47 N ATOM 299 CA LYS A 19 -9.317 -0.842 6.953 1.00 0.53 C ATOM 300 C LYS A 19 -8.254 -0.781 8.047 1.00 0.54 C ATOM 301 O LYS A 19 -8.568 -0.722 9.237 1.00 0.67 O ATOM 302 CB LYS A 19 -10.123 -2.141 7.075 1.00 0.60 C ATOM 303 CG LYS A 19 -11.191 -2.105 8.161 1.00 0.84 C ATOM 304 CD LYS A 19 -12.424 -1.332 7.716 1.00 1.09 C ATOM 305 CE LYS A 19 -13.201 -2.088 6.650 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.594 -1.585 6.515 1.00 1.68 N ATOM 0 H LYS A 19 -8.011 -1.488 5.446 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.994 0.004 7.073 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.599 -2.353 6.118 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.438 -2.964 7.280 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -11.476 -3.124 8.424 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -10.780 -1.647 9.060 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -13.069 -1.147 8.575 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -12.124 -0.359 7.328 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -12.688 -1.995 5.693 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.221 -3.149 6.900 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.089 -2.127 5.778 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -15.093 -1.697 7.421 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.576 -0.579 6.251 1.00 1.68 H new ATOM 320 N HIS A 20 -6.992 -0.774 7.632 1.00 0.55 N ATOM 321 CA HIS A 20 -5.878 -0.744 8.573 1.00 0.59 C ATOM 322 C HIS A 20 -5.043 0.523 8.427 1.00 0.58 C ATOM 323 O HIS A 20 -4.247 0.849 9.307 1.00 0.66 O ATOM 324 CB HIS A 20 -4.991 -1.975 8.370 1.00 0.68 C ATOM 325 CG HIS A 20 -5.307 -3.100 9.306 1.00 0.74 C ATOM 326 ND1 HIS A 20 -6.084 -4.187 8.959 1.00 0.90 N ATOM 327 CD2 HIS A 20 -4.933 -3.308 10.591 1.00 0.98 C ATOM 328 CE1 HIS A 20 -6.169 -5.008 9.987 1.00 1.07 C ATOM 329 NE2 HIS A 20 -5.481 -4.500 10.989 1.00 1.13 N ATOM 0 H HIS A 20 -6.715 -0.789 6.651 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.297 -0.751 9.579 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.099 -2.326 7.344 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -3.948 -1.687 8.500 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.523 -4.332 8.050 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -4.317 -2.655 11.191 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -6.712 -5.941 10.005 1.00 1.07 H new ATOM 338 N ASN A 21 -5.232 1.238 7.328 1.00 0.58 N ATOM 339 CA ASN A 21 -4.475 2.460 7.073 1.00 0.61 C ATOM 340 C ASN A 21 -4.891 3.580 8.023 1.00 0.60 C ATOM 341 O ASN A 21 -5.866 4.291 7.787 1.00 0.75 O ATOM 342 CB ASN A 21 -4.629 2.913 5.611 1.00 0.72 C ATOM 343 CG ASN A 21 -6.079 3.044 5.163 1.00 0.74 C ATOM 344 OD1 ASN A 21 -6.930 2.237 5.528 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.366 4.064 4.370 1.00 0.88 N ATOM 0 H ASN A 21 -5.902 0.996 6.598 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.424 2.235 7.254 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.130 3.873 5.482 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.120 2.200 4.963 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.322 4.201 4.041 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -5.632 4.713 4.088 1.00 0.88 H new ATOM 352 N HIS A 22 -4.149 3.727 9.111 1.00 0.64 N ATOM 353 CA HIS A 22 -4.442 4.760 10.094 1.00 0.76 C ATOM 354 C HIS A 22 -3.182 5.530 10.464 1.00 0.88 C ATOM 355 O HIS A 22 -3.021 6.683 10.070 1.00 1.61 O ATOM 356 CB HIS A 22 -5.087 4.161 11.346 1.00 0.83 C ATOM 357 CG HIS A 22 -6.500 3.713 11.133 1.00 0.87 C ATOM 358 ND1 HIS A 22 -7.416 4.427 10.392 1.00 1.32 N ATOM 359 CD2 HIS A 22 -7.151 2.610 11.565 1.00 1.17 C ATOM 360 CE1 HIS A 22 -8.564 3.785 10.378 1.00 1.29 C ATOM 361 NE2 HIS A 22 -8.434 2.677 11.083 1.00 1.09 N ATOM 0 H HIS A 22 -3.341 3.146 9.335 1.00 0.64 H new ATOM 0 HA HIS A 22 -5.151 5.455 9.644 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -4.491 3.312 11.681 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -5.065 4.901 12.146 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.738 1.822 12.177 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -9.462 4.110 9.874 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -9.166 1.985 11.243 1.00 1.09 H new ATOM 370 N SER A 23 -2.286 4.902 11.221 1.00 0.60 N ATOM 371 CA SER A 23 -1.052 5.566 11.628 1.00 0.62 C ATOM 372 C SER A 23 0.113 4.588 11.751 1.00 0.52 C ATOM 373 O SER A 23 1.192 4.831 11.213 1.00 0.62 O ATOM 374 CB SER A 23 -1.265 6.302 12.953 1.00 0.84 C ATOM 375 OG SER A 23 -2.360 7.199 12.861 1.00 1.32 O ATOM 0 H SER A 23 -2.389 3.946 11.561 1.00 0.60 H new ATOM 0 HA SER A 23 -0.794 6.284 10.849 1.00 0.62 H new ATOM 0 HB2 SER A 23 -1.446 5.581 13.750 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.361 6.850 13.219 1.00 0.84 H new ATOM 0 HG SER A 23 -2.480 7.658 13.719 1.00 1.32 H new ATOM 381 N LYS A 24 -0.100 3.477 12.446 1.00 0.51 N ATOM 382 CA LYS A 24 0.962 2.494 12.629 1.00 0.51 C ATOM 383 C LYS A 24 0.699 1.240 11.801 1.00 0.44 C ATOM 384 O LYS A 24 1.227 0.164 12.090 1.00 0.45 O ATOM 385 CB LYS A 24 1.126 2.146 14.112 1.00 0.71 C ATOM 386 CG LYS A 24 -0.163 1.731 14.802 1.00 0.97 C ATOM 387 CD LYS A 24 0.072 1.433 16.271 1.00 1.41 C ATOM 388 CE LYS A 24 -1.199 0.971 16.959 1.00 1.88 C ATOM 389 NZ LYS A 24 -0.944 0.542 18.358 1.00 2.36 N ATOM 0 H LYS A 24 -0.987 3.235 12.888 1.00 0.51 H new ATOM 0 HA LYS A 24 1.894 2.935 12.277 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.851 1.338 14.206 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.542 3.009 14.632 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.903 2.525 14.703 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.574 0.849 14.311 1.00 0.97 H new ATOM 0 HD2 LYS A 24 0.839 0.665 16.369 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.451 2.326 16.768 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -1.930 1.780 16.954 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.636 0.144 16.399 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -1.836 0.233 18.795 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 -0.266 -0.247 18.361 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.551 1.338 18.899 1.00 2.36 H new ATOM 403 N SER A 25 -0.122 1.391 10.769 1.00 0.43 N ATOM 404 CA SER A 25 -0.459 0.293 9.869 1.00 0.42 C ATOM 405 C SER A 25 -0.857 0.852 8.506 1.00 0.42 C ATOM 406 O SER A 25 -1.677 0.281 7.789 1.00 0.50 O ATOM 407 CB SER A 25 -1.592 -0.555 10.454 1.00 0.48 C ATOM 408 OG SER A 25 -1.202 -1.143 11.685 1.00 0.83 O ATOM 0 H SER A 25 -0.572 2.275 10.532 1.00 0.43 H new ATOM 0 HA SER A 25 0.414 -0.348 9.749 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.475 0.066 10.607 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.870 -1.335 9.746 1.00 0.48 H new ATOM 0 HG SER A 25 -1.942 -1.678 12.041 1.00 0.83 H new ATOM 414 N THR A 26 -0.260 1.984 8.163 1.00 0.42 N ATOM 415 CA THR A 26 -0.528 2.653 6.903 1.00 0.43 C ATOM 416 C THR A 26 0.192 1.956 5.756 1.00 0.36 C ATOM 417 O THR A 26 1.420 2.013 5.652 1.00 0.41 O ATOM 418 CB THR A 26 -0.075 4.117 6.985 1.00 0.51 C ATOM 419 OG1 THR A 26 -0.239 4.586 8.331 1.00 0.64 O ATOM 420 CG2 THR A 26 -0.871 4.999 6.036 1.00 0.56 C ATOM 0 H THR A 26 0.423 2.462 8.751 1.00 0.42 H new ATOM 0 HA THR A 26 -1.601 2.613 6.713 1.00 0.43 H new ATOM 0 HB THR A 26 0.974 4.170 6.692 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.565 4.377 8.850 1.00 0.64 H new ATOM 0 HG21 THR A 26 -0.524 6.029 6.120 1.00 0.56 H new ATOM 0 HG22 THR A 26 -0.731 4.651 5.012 1.00 0.56 H new ATOM 0 HG23 THR A 26 -1.929 4.950 6.295 1.00 0.56 H new ATOM 428 N TRP A 27 -0.574 1.290 4.904 1.00 0.35 N ATOM 429 CA TRP A 27 -0.006 0.570 3.777 1.00 0.33 C ATOM 430 C TRP A 27 -0.442 1.178 2.449 1.00 0.32 C ATOM 431 O TRP A 27 -1.573 1.654 2.308 1.00 0.36 O ATOM 432 CB TRP A 27 -0.415 -0.904 3.830 1.00 0.38 C ATOM 433 CG TRP A 27 0.093 -1.621 5.042 1.00 0.40 C ATOM 434 CD1 TRP A 27 1.227 -1.337 5.743 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.511 -2.745 5.696 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.367 -2.210 6.792 1.00 0.48 N ATOM 437 CE2 TRP A 27 0.315 -3.087 6.785 1.00 0.52 C ATOM 438 CE3 TRP A 27 -1.666 -3.498 5.464 1.00 0.56 C ATOM 439 CZ2 TRP A 27 0.018 -4.144 7.641 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -1.960 -4.547 6.315 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.121 -4.861 7.391 1.00 0.71 C ATOM 0 H TRP A 27 -1.590 1.234 4.973 1.00 0.35 H new ATOM 0 HA TRP A 27 1.079 0.649 3.847 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.503 -0.972 3.806 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.045 -1.408 2.937 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.916 -0.540 5.507 1.00 0.43 H new ATOM 0 HE1 TRP A 27 2.131 -2.207 7.468 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.317 -3.264 4.635 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.663 -4.389 8.472 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -2.851 -5.134 6.147 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.378 -5.687 8.038 1.00 0.71 H new ATOM 452 N LEU A 28 0.471 1.158 1.487 1.00 0.32 N ATOM 453 CA LEU A 28 0.202 1.676 0.154 1.00 0.33 C ATOM 454 C LEU A 28 0.264 0.537 -0.847 1.00 0.32 C ATOM 455 O LEU A 28 0.969 -0.451 -0.625 1.00 0.32 O ATOM 456 CB LEU A 28 1.208 2.764 -0.237 1.00 0.36 C ATOM 457 CG LEU A 28 0.930 4.157 0.336 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.691 4.367 1.634 1.00 0.85 C ATOM 459 CD2 LEU A 28 1.302 5.231 -0.676 1.00 0.99 C ATOM 0 H LEU A 28 1.413 0.785 1.608 1.00 0.32 H new ATOM 0 HA LEU A 28 -0.792 2.123 0.153 1.00 0.33 H new ATOM 0 HB2 LEU A 28 2.200 2.449 0.085 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.234 2.836 -1.324 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.136 4.232 0.549 1.00 0.56 H new ATOM 0 HD11 LEU A 28 1.479 5.363 2.023 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.380 3.619 2.363 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.761 4.270 1.448 1.00 0.85 H new ATOM 0 HD21 LEU A 28 1.098 6.215 -0.254 1.00 0.99 H new ATOM 0 HD22 LEU A 28 2.362 5.152 -0.917 1.00 0.99 H new ATOM 0 HD23 LEU A 28 0.712 5.096 -1.583 1.00 0.99 H new ATOM 471 N ILE A 29 -0.475 0.662 -1.935 1.00 0.35 N ATOM 472 CA ILE A 29 -0.501 -0.373 -2.955 1.00 0.36 C ATOM 473 C ILE A 29 0.091 0.130 -4.265 1.00 0.36 C ATOM 474 O ILE A 29 -0.383 1.105 -4.841 1.00 0.39 O ATOM 475 CB ILE A 29 -1.939 -0.875 -3.193 1.00 0.42 C ATOM 476 CG1 ILE A 29 -2.504 -1.476 -1.906 1.00 0.50 C ATOM 477 CG2 ILE A 29 -1.981 -1.898 -4.318 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.000 -1.672 -1.937 1.00 0.80 C ATOM 0 H ILE A 29 -1.065 1.469 -2.136 1.00 0.35 H new ATOM 0 HA ILE A 29 0.108 -1.202 -2.593 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.554 -0.025 -3.488 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.024 -2.437 -1.722 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -2.248 -0.827 -1.069 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.007 -2.235 -4.465 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.614 -1.443 -5.238 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.352 -2.750 -4.059 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -4.330 -2.102 -0.991 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.490 -0.710 -2.089 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.262 -2.346 -2.753 1.00 0.80 H new ATOM 490 N LEU A 30 1.138 -0.536 -4.717 1.00 0.34 N ATOM 491 CA LEU A 30 1.796 -0.174 -5.963 1.00 0.37 C ATOM 492 C LEU A 30 1.906 -1.401 -6.851 1.00 0.38 C ATOM 493 O LEU A 30 2.402 -2.438 -6.413 1.00 0.38 O ATOM 494 CB LEU A 30 3.189 0.403 -5.706 1.00 0.38 C ATOM 495 CG LEU A 30 3.255 1.566 -4.714 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.701 1.924 -4.424 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.503 2.775 -5.250 1.00 0.48 C ATOM 0 H LEU A 30 1.554 -1.335 -4.238 1.00 0.34 H new ATOM 0 HA LEU A 30 1.198 0.591 -6.458 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.832 -0.398 -5.341 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.604 0.737 -6.657 1.00 0.38 H new ATOM 0 HG LEU A 30 2.778 1.255 -3.784 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.736 2.753 -3.717 1.00 0.44 H new ATOM 0 HD12 LEU A 30 5.211 1.061 -3.997 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.196 2.216 -5.350 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.563 3.590 -4.529 1.00 0.48 H new ATOM 0 HD22 LEU A 30 2.948 3.092 -6.193 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.458 2.511 -5.413 1.00 0.48 H new ATOM 509 N HIS A 31 1.426 -1.285 -8.085 1.00 0.41 N ATOM 510 CA HIS A 31 1.456 -2.391 -9.042 1.00 0.43 C ATOM 511 C HIS A 31 0.568 -3.522 -8.541 1.00 0.42 C ATOM 512 O HIS A 31 0.782 -4.687 -8.876 1.00 0.45 O ATOM 513 CB HIS A 31 2.889 -2.908 -9.267 1.00 0.47 C ATOM 514 CG HIS A 31 3.744 -2.024 -10.129 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.725 -0.684 -10.324 1.00 1.11 N flip ATOM 516 CD2 HIS A 31 4.777 -2.500 -10.906 1.00 1.10 C flip ATOM 517 CE1 HIS A 31 4.732 -0.381 -11.207 1.00 1.22 C flip ATOM 518 NE2 HIS A 31 5.351 -1.495 -11.540 1.00 1.18 N flip ATOM 0 H HIS A 31 1.008 -0.429 -8.450 1.00 0.41 H new ATOM 0 HA HIS A 31 1.083 -2.023 -9.998 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.374 -3.028 -8.298 1.00 0.47 H new ATOM 0 HB3 HIS A 31 2.837 -3.897 -9.722 1.00 0.47 H new ATOM 0 HD2 HIS A 31 5.072 -3.536 -10.984 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.976 0.607 -11.569 1.00 1.22 H new ATOM 0 HE2 HIS A 31 6.141 -1.569 -12.180 1.00 1.18 H new ATOM 527 N HIS A 32 -0.440 -3.150 -7.746 1.00 0.42 N ATOM 528 CA HIS A 32 -1.394 -4.096 -7.156 1.00 0.44 C ATOM 529 C HIS A 32 -0.738 -4.949 -6.067 1.00 0.40 C ATOM 530 O HIS A 32 -1.228 -6.026 -5.722 1.00 0.44 O ATOM 531 CB HIS A 32 -2.046 -4.985 -8.226 1.00 0.52 C ATOM 532 CG HIS A 32 -3.034 -4.251 -9.083 1.00 0.68 C ATOM 533 ND1 HIS A 32 -3.162 -4.459 -10.439 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.951 -3.309 -8.763 1.00 0.85 C ATOM 535 CE1 HIS A 32 -4.110 -3.674 -10.914 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.607 -2.966 -9.919 1.00 0.97 N ATOM 0 H HIS A 32 -0.619 -2.178 -7.492 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.182 -3.505 -6.690 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -1.268 -5.408 -8.861 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.548 -5.820 -7.738 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.133 -2.902 -7.779 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -4.426 -3.620 -11.945 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.355 -2.277 -9.996 1.00 0.97 H new ATOM 545 N LYS A 33 0.364 -4.447 -5.518 1.00 0.37 N ATOM 546 CA LYS A 33 1.084 -5.136 -4.452 1.00 0.37 C ATOM 547 C LYS A 33 1.021 -4.299 -3.176 1.00 0.33 C ATOM 548 O LYS A 33 0.968 -3.071 -3.244 1.00 0.36 O ATOM 549 CB LYS A 33 2.542 -5.380 -4.851 1.00 0.40 C ATOM 550 CG LYS A 33 2.707 -6.100 -6.182 1.00 0.57 C ATOM 551 CD LYS A 33 4.158 -6.477 -6.425 1.00 0.79 C ATOM 552 CE LYS A 33 4.363 -7.068 -7.811 1.00 0.94 C ATOM 553 NZ LYS A 33 3.592 -8.326 -8.017 1.00 1.02 N ATOM 0 H LYS A 33 0.780 -3.559 -5.797 1.00 0.37 H new ATOM 0 HA LYS A 33 0.614 -6.104 -4.277 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.060 -4.422 -4.901 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.029 -5.965 -4.070 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.088 -6.997 -6.192 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.354 -5.460 -6.991 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.787 -5.594 -6.309 1.00 0.79 H new ATOM 0 HD3 LYS A 33 4.478 -7.197 -5.672 1.00 0.79 H new ATOM 0 HE2 LYS A 33 4.065 -6.336 -8.562 1.00 0.94 H new ATOM 0 HE3 LYS A 33 5.424 -7.267 -7.964 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 4.139 -8.974 -8.620 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 3.412 -8.778 -7.098 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 2.686 -8.106 -8.478 1.00 1.02 H new ATOM 567 N VAL A 34 1.032 -4.957 -2.023 1.00 0.30 N ATOM 568 CA VAL A 34 0.947 -4.262 -0.741 1.00 0.30 C ATOM 569 C VAL A 34 2.330 -3.985 -0.162 1.00 0.27 C ATOM 570 O VAL A 34 3.133 -4.903 0.019 1.00 0.28 O ATOM 571 CB VAL A 34 0.128 -5.078 0.279 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.122 -4.271 1.547 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.189 -5.531 -0.334 1.00 0.35 C ATOM 0 H VAL A 34 1.099 -5.972 -1.948 1.00 0.30 H new ATOM 0 HA VAL A 34 0.446 -3.312 -0.930 1.00 0.30 H new ATOM 0 HB VAL A 34 0.707 -5.962 0.549 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -0.702 -4.869 2.250 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.832 -4.001 2.000 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.675 -3.365 1.299 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.754 -6.105 0.400 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.769 -4.659 -0.636 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -0.989 -6.154 -1.206 1.00 0.35 H new ATOM 583 N TYR A 35 2.601 -2.721 0.130 1.00 0.28 N ATOM 584 CA TYR A 35 3.886 -2.325 0.689 1.00 0.28 C ATOM 585 C TYR A 35 3.713 -1.737 2.086 1.00 0.30 C ATOM 586 O TYR A 35 2.915 -0.820 2.290 1.00 0.32 O ATOM 587 CB TYR A 35 4.573 -1.314 -0.232 1.00 0.31 C ATOM 588 CG TYR A 35 4.932 -1.884 -1.586 1.00 0.31 C ATOM 589 CD1 TYR A 35 4.037 -1.825 -2.647 1.00 0.43 C ATOM 590 CD2 TYR A 35 6.162 -2.492 -1.801 1.00 0.35 C ATOM 591 CE1 TYR A 35 4.357 -2.355 -3.881 1.00 0.47 C ATOM 592 CE2 TYR A 35 6.491 -3.024 -3.036 1.00 0.40 C ATOM 593 CZ TYR A 35 5.582 -2.953 -4.073 1.00 0.41 C ATOM 594 OH TYR A 35 5.900 -3.482 -5.304 1.00 0.48 O ATOM 0 H TYR A 35 1.947 -1.951 -0.011 1.00 0.28 H new ATOM 0 HA TYR A 35 4.513 -3.213 0.769 1.00 0.28 H new ATOM 0 HB2 TYR A 35 3.917 -0.455 -0.370 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.479 -0.949 0.252 1.00 0.31 H new ATOM 0 HD1 TYR A 35 3.074 -1.357 -2.504 1.00 0.43 H new ATOM 0 HD2 TYR A 35 6.874 -2.551 -0.991 1.00 0.35 H new ATOM 0 HE1 TYR A 35 3.648 -2.301 -4.694 1.00 0.47 H new ATOM 0 HE2 TYR A 35 7.453 -3.492 -3.187 1.00 0.40 H new ATOM 0 HH TYR A 35 6.801 -3.866 -5.272 1.00 0.48 H new ATOM 604 N ASP A 36 4.463 -2.275 3.040 1.00 0.32 N ATOM 605 CA ASP A 36 4.414 -1.814 4.422 1.00 0.36 C ATOM 606 C ASP A 36 5.513 -0.794 4.680 1.00 0.38 C ATOM 607 O ASP A 36 6.692 -1.141 4.796 1.00 0.50 O ATOM 608 CB ASP A 36 4.551 -2.992 5.396 1.00 0.43 C ATOM 609 CG ASP A 36 4.740 -2.556 6.842 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.128 -1.546 7.258 1.00 0.90 O ATOM 611 OD2 ASP A 36 5.486 -3.243 7.581 1.00 1.28 O ATOM 0 H ASP A 36 5.119 -3.039 2.879 1.00 0.32 H new ATOM 0 HA ASP A 36 3.446 -1.341 4.587 1.00 0.36 H new ATOM 0 HB2 ASP A 36 3.662 -3.619 5.326 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.399 -3.607 5.095 1.00 0.43 H new ATOM 616 N LEU A 37 5.120 0.464 4.743 1.00 0.37 N ATOM 617 CA LEU A 37 6.054 1.545 4.989 1.00 0.43 C ATOM 618 C LEU A 37 5.448 2.532 5.975 1.00 0.37 C ATOM 619 O LEU A 37 5.722 3.732 5.924 1.00 0.40 O ATOM 620 CB LEU A 37 6.423 2.257 3.682 1.00 0.56 C ATOM 621 CG LEU A 37 5.276 2.987 2.980 1.00 0.66 C ATOM 622 CD1 LEU A 37 5.800 4.197 2.229 1.00 0.86 C ATOM 623 CD2 LEU A 37 4.548 2.048 2.033 1.00 0.80 C ATOM 0 H LEU A 37 4.152 0.764 4.626 1.00 0.37 H new ATOM 0 HA LEU A 37 6.966 1.127 5.414 1.00 0.43 H new ATOM 0 HB2 LEU A 37 7.214 2.977 3.892 1.00 0.56 H new ATOM 0 HB3 LEU A 37 6.837 1.521 2.993 1.00 0.56 H new ATOM 0 HG LEU A 37 4.570 3.329 3.737 1.00 0.66 H new ATOM 0 HD11 LEU A 37 4.972 4.705 1.735 1.00 0.86 H new ATOM 0 HD12 LEU A 37 6.279 4.881 2.930 1.00 0.86 H new ATOM 0 HD13 LEU A 37 6.526 3.875 1.482 1.00 0.86 H new ATOM 0 HD21 LEU A 37 3.735 2.584 1.542 1.00 0.80 H new ATOM 0 HD22 LEU A 37 5.245 1.678 1.281 1.00 0.80 H new ATOM 0 HD23 LEU A 37 4.141 1.208 2.595 1.00 0.80 H new ATOM 635 N THR A 38 4.640 2.014 6.890 1.00 0.34 N ATOM 636 CA THR A 38 3.983 2.843 7.887 1.00 0.36 C ATOM 637 C THR A 38 5.004 3.529 8.798 1.00 0.38 C ATOM 638 O THR A 38 4.698 4.518 9.462 1.00 0.44 O ATOM 639 CB THR A 38 2.987 2.019 8.732 1.00 0.41 C ATOM 640 OG1 THR A 38 2.066 2.896 9.391 1.00 0.48 O ATOM 641 CG2 THR A 38 3.707 1.164 9.768 1.00 0.48 C ATOM 0 H THR A 38 4.424 1.020 6.961 1.00 0.34 H new ATOM 0 HA THR A 38 3.427 3.612 7.351 1.00 0.36 H new ATOM 0 HB THR A 38 2.447 1.354 8.058 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.545 3.434 10.056 1.00 0.48 H new ATOM 0 HG21 THR A 38 2.975 0.598 10.344 1.00 0.48 H new ATOM 0 HG22 THR A 38 4.384 0.474 9.264 1.00 0.48 H new ATOM 0 HG23 THR A 38 4.277 1.807 10.438 1.00 0.48 H new ATOM 649 N LYS A 39 6.219 3.001 8.819 1.00 0.39 N ATOM 650 CA LYS A 39 7.280 3.570 9.631 1.00 0.47 C ATOM 651 C LYS A 39 8.226 4.388 8.764 1.00 0.47 C ATOM 652 O LYS A 39 9.248 4.887 9.233 1.00 0.59 O ATOM 653 CB LYS A 39 8.048 2.468 10.363 1.00 0.56 C ATOM 654 CG LYS A 39 7.384 2.026 11.657 1.00 0.75 C ATOM 655 CD LYS A 39 7.437 3.121 12.707 1.00 0.92 C ATOM 656 CE LYS A 39 6.683 2.731 13.964 1.00 1.27 C ATOM 657 NZ LYS A 39 6.787 3.781 15.010 1.00 1.50 N ATOM 0 H LYS A 39 6.493 2.178 8.282 1.00 0.39 H new ATOM 0 HA LYS A 39 6.830 4.227 10.375 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.150 1.607 9.703 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.055 2.822 10.583 1.00 0.56 H new ATOM 0 HG2 LYS A 39 6.346 1.756 11.462 1.00 0.75 H new ATOM 0 HG3 LYS A 39 7.880 1.132 12.036 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.476 3.335 12.958 1.00 0.92 H new ATOM 0 HD3 LYS A 39 7.013 4.038 12.298 1.00 0.92 H new ATOM 0 HE2 LYS A 39 5.634 2.560 13.722 1.00 1.27 H new ATOM 0 HE3 LYS A 39 7.078 1.791 14.350 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 6.260 3.482 15.856 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 7.787 3.926 15.258 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.387 4.671 14.650 1.00 1.50 H new ATOM 671 N PHE A 40 7.865 4.532 7.495 1.00 0.40 N ATOM 672 CA PHE A 40 8.669 5.285 6.547 1.00 0.44 C ATOM 673 C PHE A 40 7.884 6.476 6.014 1.00 0.40 C ATOM 674 O PHE A 40 8.350 7.189 5.136 1.00 0.42 O ATOM 675 CB PHE A 40 9.111 4.383 5.394 1.00 0.52 C ATOM 676 CG PHE A 40 10.585 4.436 5.118 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.465 3.665 5.859 1.00 1.66 C ATOM 678 CD2 PHE A 40 11.091 5.253 4.118 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.821 3.703 5.606 1.00 2.39 C ATOM 680 CE2 PHE A 40 12.448 5.296 3.862 1.00 2.45 C ATOM 681 CZ PHE A 40 13.315 4.522 4.608 1.00 2.68 C ATOM 0 H PHE A 40 7.014 4.133 7.099 1.00 0.40 H new ATOM 0 HA PHE A 40 9.556 5.656 7.061 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.829 3.355 5.620 1.00 0.52 H new ATOM 0 HB3 PHE A 40 8.571 4.670 4.492 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.086 3.027 6.644 1.00 1.66 H new ATOM 0 HD2 PHE A 40 10.417 5.862 3.533 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.496 3.093 6.188 1.00 2.39 H new ATOM 0 HE2 PHE A 40 12.830 5.934 3.079 1.00 2.45 H new ATOM 0 HZ PHE A 40 14.377 4.557 4.412 1.00 2.68 H new ATOM 691 N LEU A 41 6.692 6.690 6.563 1.00 0.39 N ATOM 692 CA LEU A 41 5.844 7.804 6.140 1.00 0.43 C ATOM 693 C LEU A 41 6.537 9.135 6.403 1.00 0.44 C ATOM 694 O LEU A 41 6.588 10.010 5.541 1.00 0.47 O ATOM 695 CB LEU A 41 4.506 7.779 6.884 1.00 0.49 C ATOM 696 CG LEU A 41 3.712 6.479 6.770 1.00 0.48 C ATOM 697 CD1 LEU A 41 2.550 6.490 7.750 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.210 6.279 5.347 1.00 0.59 C ATOM 0 H LEU A 41 6.291 6.110 7.300 1.00 0.39 H new ATOM 0 HA LEU A 41 5.663 7.696 5.071 1.00 0.43 H new ATOM 0 HB2 LEU A 41 4.694 7.978 7.939 1.00 0.49 H new ATOM 0 HB3 LEU A 41 3.888 8.595 6.511 1.00 0.49 H new ATOM 0 HG LEU A 41 4.370 5.646 7.017 1.00 0.48 H new ATOM 0 HD11 LEU A 41 1.990 5.559 7.661 1.00 0.55 H new ATOM 0 HD12 LEU A 41 2.932 6.588 8.766 1.00 0.55 H new ATOM 0 HD13 LEU A 41 1.893 7.331 7.527 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.647 5.348 5.287 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.564 7.112 5.069 1.00 0.59 H new ATOM 0 HD23 LEU A 41 4.059 6.234 4.665 1.00 0.59 H new ATOM 710 N GLU A 42 7.076 9.271 7.605 1.00 0.49 N ATOM 711 CA GLU A 42 7.776 10.485 8.005 1.00 0.56 C ATOM 712 C GLU A 42 9.229 10.442 7.546 1.00 0.54 C ATOM 713 O GLU A 42 9.982 11.392 7.743 1.00 0.66 O ATOM 714 CB GLU A 42 7.706 10.651 9.522 1.00 0.67 C ATOM 715 CG GLU A 42 7.946 9.359 10.284 1.00 0.72 C ATOM 716 CD GLU A 42 8.051 9.571 11.778 1.00 0.93 C ATOM 717 OE1 GLU A 42 7.090 10.092 12.382 1.00 1.50 O ATOM 718 OE2 GLU A 42 9.093 9.215 12.360 1.00 1.40 O ATOM 0 H GLU A 42 7.042 8.550 8.326 1.00 0.49 H new ATOM 0 HA GLU A 42 7.292 11.339 7.531 1.00 0.56 H new ATOM 0 HB2 GLU A 42 8.445 11.390 9.833 1.00 0.67 H new ATOM 0 HB3 GLU A 42 6.727 11.046 9.792 1.00 0.67 H new ATOM 0 HG2 GLU A 42 7.133 8.664 10.077 1.00 0.72 H new ATOM 0 HG3 GLU A 42 8.863 8.894 9.922 1.00 0.72 H new ATOM 725 N GLU A 43 9.604 9.334 6.926 1.00 0.48 N ATOM 726 CA GLU A 43 10.959 9.146 6.426 1.00 0.50 C ATOM 727 C GLU A 43 10.938 9.106 4.904 1.00 0.43 C ATOM 728 O GLU A 43 11.847 8.574 4.268 1.00 0.54 O ATOM 729 CB GLU A 43 11.560 7.846 6.975 1.00 0.58 C ATOM 730 CG GLU A 43 11.281 7.616 8.452 1.00 0.76 C ATOM 731 CD GLU A 43 12.546 7.463 9.270 1.00 0.96 C ATOM 732 OE1 GLU A 43 13.109 8.492 9.696 1.00 1.46 O ATOM 733 OE2 GLU A 43 12.979 6.313 9.501 1.00 1.56 O ATOM 0 H GLU A 43 8.983 8.543 6.755 1.00 0.48 H new ATOM 0 HA GLU A 43 11.577 9.979 6.760 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.165 7.005 6.405 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.638 7.860 6.816 1.00 0.58 H new ATOM 0 HG2 GLU A 43 10.700 8.452 8.842 1.00 0.76 H new ATOM 0 HG3 GLU A 43 10.669 6.721 8.567 1.00 0.76 H new ATOM 740 N HIS A 44 9.885 9.666 4.332 1.00 0.43 N ATOM 741 CA HIS A 44 9.726 9.697 2.889 1.00 0.39 C ATOM 742 C HIS A 44 10.023 11.094 2.347 1.00 0.43 C ATOM 743 O HIS A 44 9.386 12.072 2.746 1.00 0.51 O ATOM 744 CB HIS A 44 8.305 9.271 2.513 1.00 0.41 C ATOM 745 CG HIS A 44 8.052 9.222 1.037 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.353 10.188 0.350 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.419 8.295 0.113 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.314 9.829 -0.939 1.00 0.40 C ATOM 749 NE2 HIS A 44 7.949 8.689 -1.135 1.00 0.41 N ATOM 0 H HIS A 44 9.124 10.107 4.849 1.00 0.43 H new ATOM 0 HA HIS A 44 10.435 8.999 2.443 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.108 8.287 2.938 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.597 9.963 2.970 1.00 0.41 H new ATOM 0 HD2 HIS A 44 8.984 7.397 0.315 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.827 10.398 -1.717 1.00 0.40 H new ATOM 0 HE2 HIS A 44 8.070 8.198 -2.021 1.00 0.41 H new ATOM 757 N PRO A 45 11.000 11.202 1.436 1.00 0.44 N ATOM 758 CA PRO A 45 11.380 12.481 0.836 1.00 0.53 C ATOM 759 C PRO A 45 10.288 13.038 -0.074 1.00 0.62 C ATOM 760 O PRO A 45 10.082 12.556 -1.186 1.00 1.11 O ATOM 761 CB PRO A 45 12.638 12.143 0.032 1.00 0.58 C ATOM 762 CG PRO A 45 12.545 10.684 -0.242 1.00 0.56 C ATOM 763 CD PRO A 45 11.807 10.081 0.921 1.00 0.44 C ATOM 0 HA PRO A 45 11.542 13.253 1.588 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.679 12.716 -0.894 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.541 12.381 0.594 1.00 0.58 H new ATOM 0 HG2 PRO A 45 12.016 10.497 -1.177 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.537 10.244 -0.343 1.00 0.56 H new ATOM 0 HD2 PRO A 45 11.180 9.246 0.609 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.493 9.700 1.677 1.00 0.44 H new ATOM 771 N GLY A 46 9.580 14.043 0.418 1.00 0.75 N ATOM 772 CA GLY A 46 8.518 14.650 -0.356 1.00 0.82 C ATOM 773 C GLY A 46 7.330 15.039 0.502 1.00 0.83 C ATOM 774 O GLY A 46 6.578 15.953 0.158 1.00 1.38 O ATOM 0 H GLY A 46 9.723 14.450 1.342 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.902 15.535 -0.864 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.192 13.955 -1.130 1.00 0.82 H new ATOM 778 N GLY A 47 7.157 14.343 1.621 1.00 0.66 N ATOM 779 CA GLY A 47 6.055 14.644 2.516 1.00 0.67 C ATOM 780 C GLY A 47 5.347 13.397 3.003 1.00 0.60 C ATOM 781 O GLY A 47 5.602 12.298 2.507 1.00 0.64 O ATOM 0 H GLY A 47 7.759 13.577 1.924 1.00 0.66 H new ATOM 0 HA2 GLY A 47 6.430 15.204 3.373 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.340 15.287 2.003 1.00 0.67 H new ATOM 785 N GLU A 48 4.454 13.573 3.967 1.00 0.61 N ATOM 786 CA GLU A 48 3.707 12.460 4.540 1.00 0.63 C ATOM 787 C GLU A 48 2.248 12.478 4.090 1.00 0.63 C ATOM 788 O GLU A 48 1.612 11.427 3.970 1.00 0.65 O ATOM 789 CB GLU A 48 3.784 12.488 6.076 1.00 0.76 C ATOM 790 CG GLU A 48 4.075 13.861 6.674 1.00 0.95 C ATOM 791 CD GLU A 48 2.986 14.880 6.397 1.00 1.21 C ATOM 792 OE1 GLU A 48 1.990 14.917 7.153 1.00 1.79 O ATOM 793 OE2 GLU A 48 3.126 15.651 5.421 1.00 1.86 O ATOM 0 H GLU A 48 4.228 14.482 4.371 1.00 0.61 H new ATOM 0 HA GLU A 48 4.164 11.538 4.179 1.00 0.63 H new ATOM 0 HB2 GLU A 48 2.840 12.123 6.480 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.559 11.794 6.400 1.00 0.76 H new ATOM 0 HG2 GLU A 48 4.203 13.760 7.752 1.00 0.95 H new ATOM 0 HG3 GLU A 48 5.019 14.231 6.274 1.00 0.95 H new ATOM 800 N GLU A 49 1.726 13.671 3.826 1.00 0.66 N ATOM 801 CA GLU A 49 0.340 13.821 3.403 1.00 0.74 C ATOM 802 C GLU A 49 0.094 13.101 2.082 1.00 0.68 C ATOM 803 O GLU A 49 -0.949 12.474 1.893 1.00 0.72 O ATOM 804 CB GLU A 49 -0.037 15.298 3.286 1.00 0.86 C ATOM 805 CG GLU A 49 -1.521 15.522 3.058 1.00 1.10 C ATOM 806 CD GLU A 49 -2.001 16.857 3.577 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.784 17.881 2.895 1.00 1.81 O ATOM 808 OE2 GLU A 49 -2.599 16.891 4.675 1.00 1.69 O ATOM 0 H GLU A 49 2.242 14.548 3.898 1.00 0.66 H new ATOM 0 HA GLU A 49 -0.294 13.365 4.164 1.00 0.74 H new ATOM 0 HB2 GLU A 49 0.266 15.816 4.196 1.00 0.86 H new ATOM 0 HB3 GLU A 49 0.522 15.744 2.463 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -1.734 15.455 1.991 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -2.083 14.725 3.546 1.00 1.10 H new ATOM 815 N VAL A 50 1.067 13.164 1.186 1.00 0.63 N ATOM 816 CA VAL A 50 0.953 12.509 -0.112 1.00 0.60 C ATOM 817 C VAL A 50 0.839 10.992 0.040 1.00 0.54 C ATOM 818 O VAL A 50 0.318 10.307 -0.835 1.00 0.54 O ATOM 819 CB VAL A 50 2.151 12.841 -1.030 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.077 14.280 -1.516 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.472 12.586 -0.316 1.00 0.62 C ATOM 0 H VAL A 50 1.945 13.662 1.332 1.00 0.63 H new ATOM 0 HA VAL A 50 0.043 12.892 -0.574 1.00 0.60 H new ATOM 0 HB VAL A 50 2.100 12.183 -1.897 1.00 0.64 H new ATOM 0 HG11 VAL A 50 2.930 14.491 -2.160 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.154 14.428 -2.077 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.093 14.954 -0.660 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.299 12.827 -0.984 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.531 13.211 0.575 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.533 11.537 -0.028 1.00 0.62 H new ATOM 831 N LEU A 51 1.299 10.470 1.166 1.00 0.52 N ATOM 832 CA LEU A 51 1.254 9.038 1.404 1.00 0.50 C ATOM 833 C LEU A 51 -0.054 8.626 2.070 1.00 0.53 C ATOM 834 O LEU A 51 -0.661 7.627 1.689 1.00 0.55 O ATOM 835 CB LEU A 51 2.433 8.608 2.272 1.00 0.48 C ATOM 836 CG LEU A 51 3.813 8.891 1.680 1.00 0.46 C ATOM 837 CD1 LEU A 51 4.899 8.530 2.679 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.004 8.129 0.374 1.00 0.47 C ATOM 0 H LEU A 51 1.706 11.015 1.926 1.00 0.52 H new ATOM 0 HA LEU A 51 1.316 8.539 0.437 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.358 9.113 3.235 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.350 7.538 2.465 1.00 0.48 H new ATOM 0 HG LEU A 51 3.886 9.957 1.463 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.877 8.737 2.244 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.772 9.123 3.585 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.828 7.471 2.926 1.00 0.49 H new ATOM 0 HD21 LEU A 51 4.993 8.344 -0.031 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.913 7.059 0.560 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.243 8.438 -0.342 1.00 0.47 H new ATOM 850 N ARG A 52 -0.496 9.399 3.059 1.00 0.59 N ATOM 851 CA ARG A 52 -1.735 9.083 3.773 1.00 0.66 C ATOM 852 C ARG A 52 -2.952 9.162 2.849 1.00 0.65 C ATOM 853 O ARG A 52 -3.954 8.482 3.070 1.00 0.69 O ATOM 854 CB ARG A 52 -1.927 10.005 4.991 1.00 0.79 C ATOM 855 CG ARG A 52 -1.864 11.489 4.670 1.00 0.97 C ATOM 856 CD ARG A 52 -3.251 12.096 4.491 1.00 1.22 C ATOM 857 NE ARG A 52 -3.849 12.497 5.764 1.00 1.50 N ATOM 858 CZ ARG A 52 -4.899 13.311 5.874 1.00 1.90 C ATOM 859 NH1 ARG A 52 -5.483 13.802 4.788 1.00 2.00 N ATOM 860 NH2 ARG A 52 -5.371 13.626 7.071 1.00 2.61 N ATOM 0 H ARG A 52 -0.021 10.242 3.384 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.647 8.056 4.129 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.891 9.785 5.449 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -1.162 9.773 5.732 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -1.341 12.011 5.471 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.283 11.638 3.760 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -3.184 12.963 3.834 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.901 11.373 3.998 1.00 1.22 H new ATOM 0 HE ARG A 52 -3.437 12.131 6.622 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -5.129 13.557 3.863 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -6.286 14.424 4.878 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -4.931 13.246 7.909 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -6.174 14.249 7.155 1.00 2.61 H new ATOM 874 N GLU A 53 -2.859 9.976 1.803 1.00 0.64 N ATOM 875 CA GLU A 53 -3.965 10.130 0.867 1.00 0.68 C ATOM 876 C GLU A 53 -3.911 9.066 -0.228 1.00 0.65 C ATOM 877 O GLU A 53 -4.825 8.949 -1.044 1.00 0.78 O ATOM 878 CB GLU A 53 -3.953 11.528 0.249 1.00 0.72 C ATOM 879 CG GLU A 53 -2.776 11.786 -0.670 1.00 0.67 C ATOM 880 CD GLU A 53 -2.804 13.184 -1.240 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.403 14.128 -0.527 1.00 1.26 O ATOM 882 OE2 GLU A 53 -3.240 13.347 -2.401 1.00 1.35 O ATOM 0 H GLU A 53 -2.035 10.536 1.583 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.894 10.000 1.421 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.877 11.674 -0.311 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.945 12.268 1.049 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.847 11.636 -0.121 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.785 11.061 -1.484 1.00 0.67 H new ATOM 889 N GLN A 54 -2.833 8.296 -0.249 1.00 0.57 N ATOM 890 CA GLN A 54 -2.665 7.237 -1.237 1.00 0.58 C ATOM 891 C GLN A 54 -2.643 5.882 -0.549 1.00 0.57 C ATOM 892 O GLN A 54 -2.362 4.856 -1.167 1.00 0.60 O ATOM 893 CB GLN A 54 -1.375 7.452 -2.034 1.00 0.57 C ATOM 894 CG GLN A 54 -1.399 8.696 -2.909 1.00 0.64 C ATOM 895 CD GLN A 54 -2.405 8.606 -4.038 1.00 0.81 C ATOM 896 OE1 GLN A 54 -2.063 8.243 -5.166 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.655 8.939 -3.752 1.00 0.96 N ATOM 0 H GLN A 54 -2.058 8.384 0.409 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.507 7.265 -1.929 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.537 7.522 -1.341 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.197 6.579 -2.662 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.631 9.564 -2.291 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -0.406 8.859 -3.327 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.901 9.235 -2.807 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.372 8.900 -4.477 1.00 0.96 H new ATOM 906 N ALA A 55 -2.943 5.892 0.741 1.00 0.58 N ATOM 907 CA ALA A 55 -2.967 4.675 1.533 1.00 0.60 C ATOM 908 C ALA A 55 -4.331 4.010 1.445 1.00 0.61 C ATOM 909 O ALA A 55 -5.352 4.686 1.317 1.00 0.68 O ATOM 910 CB ALA A 55 -2.624 4.986 2.980 1.00 0.65 C ATOM 0 H ALA A 55 -3.175 6.737 1.263 1.00 0.58 H new ATOM 0 HA ALA A 55 -2.222 3.986 1.136 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.645 4.066 3.565 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.628 5.426 3.031 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.353 5.689 3.384 1.00 0.65 H new ATOM 916 N GLY A 56 -4.342 2.688 1.517 1.00 0.59 N ATOM 917 CA GLY A 56 -5.590 1.954 1.440 1.00 0.64 C ATOM 918 C GLY A 56 -6.136 1.887 0.027 1.00 0.62 C ATOM 919 O GLY A 56 -7.343 1.740 -0.176 1.00 0.66 O ATOM 0 H GLY A 56 -3.510 2.109 1.627 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -5.437 0.942 1.816 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -6.327 2.427 2.089 1.00 0.64 H new ATOM 923 N GLY A 57 -5.246 2.000 -0.949 1.00 0.63 N ATOM 924 CA GLY A 57 -5.648 1.944 -2.338 1.00 0.65 C ATOM 925 C GLY A 57 -4.456 1.825 -3.261 1.00 0.59 C ATOM 926 O GLY A 57 -3.310 1.937 -2.817 1.00 0.55 O ATOM 0 H GLY A 57 -4.245 2.130 -0.801 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.313 1.094 -2.490 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -6.215 2.841 -2.589 1.00 0.65 H new ATOM 930 N ASP A 58 -4.721 1.585 -4.537 1.00 0.65 N ATOM 931 CA ASP A 58 -3.661 1.455 -5.529 1.00 0.62 C ATOM 932 C ASP A 58 -3.188 2.834 -5.970 1.00 0.61 C ATOM 933 O ASP A 58 -3.950 3.612 -6.546 1.00 0.71 O ATOM 934 CB ASP A 58 -4.147 0.645 -6.734 1.00 0.69 C ATOM 935 CG ASP A 58 -3.045 0.378 -7.743 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.310 -0.621 -7.586 1.00 1.32 O ATOM 937 OD2 ASP A 58 -2.912 1.164 -8.705 1.00 1.51 O ATOM 0 H ASP A 58 -5.663 1.476 -4.912 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.823 0.924 -5.077 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.555 -0.305 -6.388 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.960 1.182 -7.223 1.00 0.69 H new ATOM 942 N ALA A 59 -1.931 3.135 -5.687 1.00 0.55 N ATOM 943 CA ALA A 59 -1.346 4.421 -6.032 1.00 0.57 C ATOM 944 C ALA A 59 -0.341 4.280 -7.170 1.00 0.54 C ATOM 945 O ALA A 59 0.568 5.099 -7.317 1.00 0.54 O ATOM 946 CB ALA A 59 -0.687 5.032 -4.808 1.00 0.60 C ATOM 0 H ALA A 59 -1.290 2.498 -5.214 1.00 0.55 H new ATOM 0 HA ALA A 59 -2.142 5.083 -6.374 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.250 5.995 -5.072 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.433 5.174 -4.026 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.096 4.366 -4.446 1.00 0.60 H new ATOM 952 N THR A 60 -0.511 3.234 -7.971 1.00 0.56 N ATOM 953 CA THR A 60 0.368 2.980 -9.103 1.00 0.57 C ATOM 954 C THR A 60 0.407 4.180 -10.045 1.00 0.57 C ATOM 955 O THR A 60 1.467 4.540 -10.558 1.00 0.58 O ATOM 956 CB THR A 60 -0.090 1.734 -9.879 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.215 0.630 -8.978 1.00 0.67 O ATOM 958 CG2 THR A 60 0.891 1.382 -10.987 1.00 0.71 C ATOM 0 H THR A 60 -1.255 2.545 -7.855 1.00 0.56 H new ATOM 0 HA THR A 60 1.370 2.808 -8.709 1.00 0.57 H new ATOM 0 HB THR A 60 -1.055 1.952 -10.337 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.509 -0.164 -9.472 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.539 0.497 -11.517 1.00 0.71 H new ATOM 0 HG22 THR A 60 0.967 2.216 -11.684 1.00 0.71 H new ATOM 0 HG23 THR A 60 1.871 1.180 -10.555 1.00 0.71 H new ATOM 966 N GLU A 61 -0.750 4.813 -10.223 1.00 0.62 N ATOM 967 CA GLU A 61 -0.881 5.973 -11.096 1.00 0.67 C ATOM 968 C GLU A 61 0.091 7.077 -10.698 1.00 0.63 C ATOM 969 O GLU A 61 0.712 7.708 -11.549 1.00 0.74 O ATOM 970 CB GLU A 61 -2.321 6.495 -11.049 1.00 0.78 C ATOM 971 CG GLU A 61 -2.776 6.913 -9.657 1.00 0.83 C ATOM 972 CD GLU A 61 -4.271 7.116 -9.560 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.910 7.376 -10.599 1.00 1.48 O ATOM 974 OE2 GLU A 61 -4.814 7.013 -8.440 1.00 1.64 O ATOM 0 H GLU A 61 -1.619 4.536 -9.767 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.639 5.665 -12.113 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.411 7.348 -11.722 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.991 5.721 -11.423 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -2.471 6.153 -8.938 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -2.271 7.838 -9.378 1.00 0.83 H new ATOM 981 N ASN A 62 0.248 7.270 -9.395 1.00 0.56 N ATOM 982 CA ASN A 62 1.129 8.303 -8.870 1.00 0.55 C ATOM 983 C ASN A 62 2.581 7.850 -8.930 1.00 0.50 C ATOM 984 O ASN A 62 3.468 8.619 -9.300 1.00 0.50 O ATOM 985 CB ASN A 62 0.742 8.639 -7.428 1.00 0.58 C ATOM 986 CG ASN A 62 1.160 10.038 -7.019 1.00 0.82 C ATOM 987 OD1 ASN A 62 2.152 10.576 -7.507 1.00 1.28 O ATOM 988 ND2 ASN A 62 0.400 10.637 -6.119 1.00 1.32 N ATOM 0 H ASN A 62 -0.227 6.720 -8.679 1.00 0.56 H new ATOM 0 HA ASN A 62 1.020 9.196 -9.485 1.00 0.55 H new ATOM 0 HB2 ASN A 62 -0.337 8.539 -7.313 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.202 7.916 -6.755 1.00 0.58 H new ATOM 0 HD21 ASN A 62 0.628 11.580 -5.805 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -0.415 10.156 -5.738 1.00 1.32 H new ATOM 995 N PHE A 63 2.806 6.592 -8.581 1.00 0.48 N ATOM 996 CA PHE A 63 4.143 6.005 -8.584 1.00 0.46 C ATOM 997 C PHE A 63 4.820 6.171 -9.945 1.00 0.49 C ATOM 998 O PHE A 63 5.968 6.620 -10.029 1.00 0.50 O ATOM 999 CB PHE A 63 4.041 4.520 -8.219 1.00 0.48 C ATOM 1000 CG PHE A 63 5.361 3.793 -8.170 1.00 0.51 C ATOM 1001 CD1 PHE A 63 6.168 3.869 -7.043 1.00 0.63 C ATOM 1002 CD2 PHE A 63 5.793 3.030 -9.245 1.00 0.70 C ATOM 1003 CE1 PHE A 63 7.379 3.204 -6.993 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.004 2.364 -9.199 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.797 2.450 -8.071 1.00 0.73 C ATOM 0 H PHE A 63 2.071 5.949 -8.288 1.00 0.48 H new ATOM 0 HA PHE A 63 4.755 6.525 -7.847 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.556 4.431 -7.247 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.395 4.025 -8.944 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.846 4.455 -6.195 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.176 2.955 -10.128 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.998 3.274 -6.111 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.330 1.777 -10.045 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.742 1.928 -8.033 1.00 0.73 H new ATOM 1015 N GLU A 64 4.097 5.825 -11.006 1.00 0.53 N ATOM 1016 CA GLU A 64 4.633 5.917 -12.362 1.00 0.58 C ATOM 1017 C GLU A 64 4.608 7.356 -12.879 1.00 0.57 C ATOM 1018 O GLU A 64 5.405 7.723 -13.741 1.00 0.65 O ATOM 1019 CB GLU A 64 3.855 4.994 -13.306 1.00 0.69 C ATOM 1020 CG GLU A 64 2.372 5.308 -13.393 1.00 1.08 C ATOM 1021 CD GLU A 64 1.560 4.163 -13.960 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.153 3.250 -14.578 1.00 1.88 O ATOM 1023 OE2 GLU A 64 0.318 4.176 -13.803 1.00 1.89 O ATOM 0 H GLU A 64 3.139 5.478 -10.954 1.00 0.53 H new ATOM 0 HA GLU A 64 5.674 5.595 -12.332 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.289 5.062 -14.303 1.00 0.69 H new ATOM 0 HB3 GLU A 64 3.979 3.963 -12.974 1.00 0.69 H new ATOM 0 HG2 GLU A 64 1.999 5.554 -12.399 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.229 6.192 -14.015 1.00 1.08 H new ATOM 1030 N ASP A 65 3.697 8.164 -12.343 1.00 0.54 N ATOM 1031 CA ASP A 65 3.577 9.561 -12.755 1.00 0.55 C ATOM 1032 C ASP A 65 4.803 10.354 -12.331 1.00 0.53 C ATOM 1033 O ASP A 65 5.371 11.111 -13.119 1.00 0.58 O ATOM 1034 CB ASP A 65 2.324 10.194 -12.151 1.00 0.57 C ATOM 1035 CG ASP A 65 2.207 11.672 -12.461 1.00 0.69 C ATOM 1036 OD1 ASP A 65 2.110 12.028 -13.653 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.201 12.486 -11.513 1.00 0.79 O ATOM 0 H ASP A 65 3.032 7.877 -11.624 1.00 0.54 H new ATOM 0 HA ASP A 65 3.499 9.584 -13.842 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.442 9.677 -12.530 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.336 10.054 -11.070 1.00 0.57 H new ATOM 1042 N VAL A 66 5.201 10.174 -11.081 1.00 0.50 N ATOM 1043 CA VAL A 66 6.365 10.861 -10.549 1.00 0.52 C ATOM 1044 C VAL A 66 7.646 10.218 -11.067 1.00 0.50 C ATOM 1045 O VAL A 66 8.512 10.897 -11.616 1.00 0.55 O ATOM 1046 CB VAL A 66 6.373 10.855 -9.005 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.670 11.433 -8.463 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.179 11.622 -8.465 1.00 0.60 C ATOM 0 H VAL A 66 4.734 9.557 -10.416 1.00 0.50 H new ATOM 0 HA VAL A 66 6.314 11.896 -10.887 1.00 0.52 H new ATOM 0 HB VAL A 66 6.301 9.820 -8.670 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.648 11.417 -7.373 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.511 10.837 -8.818 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.783 12.461 -8.808 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.200 11.608 -7.375 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.220 12.653 -8.815 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.258 11.156 -8.816 1.00 0.60 H new ATOM 1058 N GLY A 67 7.735 8.903 -10.929 1.00 0.50 N ATOM 1059 CA GLY A 67 8.916 8.195 -11.367 1.00 0.54 C ATOM 1060 C GLY A 67 9.892 8.008 -10.225 1.00 0.54 C ATOM 1061 O GLY A 67 10.202 8.959 -9.508 1.00 0.82 O ATOM 0 H GLY A 67 7.008 8.315 -10.521 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.633 7.223 -11.771 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.397 8.747 -12.174 1.00 0.54 H new ATOM 1065 N HIS A 68 10.369 6.789 -10.039 1.00 0.45 N ATOM 1066 CA HIS A 68 11.300 6.506 -8.959 1.00 0.42 C ATOM 1067 C HIS A 68 12.639 6.037 -9.508 1.00 0.47 C ATOM 1068 O HIS A 68 12.730 5.603 -10.658 1.00 0.58 O ATOM 1069 CB HIS A 68 10.711 5.460 -8.005 1.00 0.39 C ATOM 1070 CG HIS A 68 9.714 6.029 -7.041 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.509 6.579 -7.419 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.770 6.142 -5.690 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.886 7.004 -6.312 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.608 6.762 -5.237 1.00 0.40 N ATOM 0 H HIS A 68 10.129 5.984 -10.617 1.00 0.45 H new ATOM 0 HA HIS A 68 11.467 7.427 -8.401 1.00 0.42 H new ATOM 0 HB2 HIS A 68 10.233 4.674 -8.590 1.00 0.39 H new ATOM 0 HB3 HIS A 68 11.521 4.993 -7.445 1.00 0.39 H new ATOM 0 HD2 HIS A 68 10.585 5.805 -5.066 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.918 7.483 -6.302 1.00 0.35 H new ATOM 0 HE2 HIS A 68 8.366 6.983 -4.271 1.00 0.40 H new ATOM 1082 N SER A 69 13.675 6.141 -8.685 1.00 0.45 N ATOM 1083 CA SER A 69 15.015 5.733 -9.073 1.00 0.50 C ATOM 1084 C SER A 69 15.112 4.211 -9.182 1.00 0.50 C ATOM 1085 O SER A 69 14.270 3.478 -8.646 1.00 0.46 O ATOM 1086 CB SER A 69 16.021 6.260 -8.045 1.00 0.55 C ATOM 1087 OG SER A 69 15.366 6.624 -6.839 1.00 1.01 O ATOM 0 H SER A 69 13.609 6.509 -7.736 1.00 0.45 H new ATOM 0 HA SER A 69 15.243 6.152 -10.053 1.00 0.50 H new ATOM 0 HB2 SER A 69 16.772 5.497 -7.840 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.547 7.123 -8.453 1.00 0.55 H new ATOM 0 HG SER A 69 16.026 6.956 -6.196 1.00 1.01 H new ATOM 1093 N THR A 70 16.142 3.736 -9.870 1.00 0.59 N ATOM 1094 CA THR A 70 16.344 2.311 -10.050 1.00 0.64 C ATOM 1095 C THR A 70 16.645 1.625 -8.720 1.00 0.61 C ATOM 1096 O THR A 70 16.263 0.477 -8.508 1.00 0.66 O ATOM 1097 CB THR A 70 17.482 2.039 -11.048 1.00 0.78 C ATOM 1098 OG1 THR A 70 18.368 3.163 -11.097 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.926 1.774 -12.437 1.00 1.08 C ATOM 0 H THR A 70 16.850 4.322 -10.312 1.00 0.59 H new ATOM 0 HA THR A 70 15.419 1.898 -10.452 1.00 0.64 H new ATOM 0 HB THR A 70 18.028 1.157 -10.713 1.00 0.78 H new ATOM 0 HG1 THR A 70 19.091 2.982 -11.733 1.00 0.89 H new ATOM 0 HG21 THR A 70 17.748 1.584 -13.128 1.00 1.08 H new ATOM 0 HG22 THR A 70 16.269 0.905 -12.406 1.00 1.08 H new ATOM 0 HG23 THR A 70 16.362 2.643 -12.775 1.00 1.08 H new ATOM 1107 N ASP A 71 17.312 2.335 -7.819 1.00 0.60 N ATOM 1108 CA ASP A 71 17.649 1.779 -6.511 1.00 0.61 C ATOM 1109 C ASP A 71 16.430 1.767 -5.592 1.00 0.54 C ATOM 1110 O ASP A 71 16.214 0.813 -4.842 1.00 0.56 O ATOM 1111 CB ASP A 71 18.779 2.585 -5.867 1.00 0.70 C ATOM 1112 CG ASP A 71 19.259 1.975 -4.563 1.00 0.97 C ATOM 1113 OD1 ASP A 71 18.593 2.164 -3.524 1.00 1.29 O ATOM 1114 OD2 ASP A 71 20.310 1.299 -4.569 1.00 1.38 O ATOM 0 H ASP A 71 17.630 3.293 -7.967 1.00 0.60 H new ATOM 0 HA ASP A 71 17.981 0.751 -6.657 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.615 2.651 -6.563 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.436 3.603 -5.683 1.00 0.70 H new ATOM 1119 N ALA A 72 15.619 2.813 -5.682 1.00 0.48 N ATOM 1120 CA ALA A 72 14.426 2.946 -4.851 1.00 0.44 C ATOM 1121 C ALA A 72 13.495 1.741 -4.982 1.00 0.42 C ATOM 1122 O ALA A 72 12.989 1.224 -3.983 1.00 0.43 O ATOM 1123 CB ALA A 72 13.680 4.220 -5.207 1.00 0.47 C ATOM 0 H ALA A 72 15.766 3.589 -6.328 1.00 0.48 H new ATOM 0 HA ALA A 72 14.756 2.993 -3.813 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.792 4.309 -4.581 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.329 5.080 -5.041 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.383 4.187 -6.255 1.00 0.47 H new ATOM 1129 N ARG A 73 13.278 1.286 -6.211 1.00 0.44 N ATOM 1130 CA ARG A 73 12.397 0.144 -6.447 1.00 0.48 C ATOM 1131 C ARG A 73 13.033 -1.160 -5.961 1.00 0.49 C ATOM 1132 O ARG A 73 12.341 -2.156 -5.758 1.00 0.56 O ATOM 1133 CB ARG A 73 12.012 0.055 -7.927 1.00 0.54 C ATOM 1134 CG ARG A 73 13.197 -0.003 -8.873 1.00 0.68 C ATOM 1135 CD ARG A 73 13.463 -1.422 -9.341 1.00 0.74 C ATOM 1136 NE ARG A 73 12.540 -1.836 -10.394 1.00 0.90 N ATOM 1137 CZ ARG A 73 12.676 -2.959 -11.095 1.00 1.08 C ATOM 1138 NH1 ARG A 73 13.662 -3.807 -10.815 1.00 1.08 N ATOM 1139 NH2 ARG A 73 11.820 -3.242 -12.070 1.00 1.36 N ATOM 0 H ARG A 73 13.694 1.684 -7.053 1.00 0.44 H new ATOM 0 HA ARG A 73 11.486 0.297 -5.869 1.00 0.48 H new ATOM 0 HB2 ARG A 73 11.396 -0.831 -8.078 1.00 0.54 H new ATOM 0 HB3 ARG A 73 11.397 0.918 -8.184 1.00 0.54 H new ATOM 0 HG2 ARG A 73 13.008 0.637 -9.735 1.00 0.68 H new ATOM 0 HG3 ARG A 73 14.083 0.389 -8.373 1.00 0.68 H new ATOM 0 HD2 ARG A 73 14.487 -1.496 -9.707 1.00 0.74 H new ATOM 0 HD3 ARG A 73 13.377 -2.104 -8.495 1.00 0.74 H new ATOM 0 HE ARG A 73 11.746 -1.231 -10.604 1.00 0.90 H new ATOM 0 HH11 ARG A 73 14.316 -3.597 -10.061 1.00 1.08 H new ATOM 0 HH12 ARG A 73 13.764 -4.667 -11.354 1.00 1.08 H new ATOM 0 HH21 ARG A 73 11.058 -2.598 -12.282 1.00 1.36 H new ATOM 0 HH22 ARG A 73 11.925 -4.103 -12.607 1.00 1.36 H new ATOM 1153 N GLU A 74 14.348 -1.152 -5.773 1.00 0.47 N ATOM 1154 CA GLU A 74 15.049 -2.331 -5.284 1.00 0.51 C ATOM 1155 C GLU A 74 14.923 -2.391 -3.765 1.00 0.49 C ATOM 1156 O GLU A 74 14.850 -3.467 -3.175 1.00 0.55 O ATOM 1157 CB GLU A 74 16.526 -2.300 -5.689 1.00 0.57 C ATOM 1158 CG GLU A 74 16.759 -2.258 -7.190 1.00 0.65 C ATOM 1159 CD GLU A 74 16.430 -3.565 -7.883 1.00 0.75 C ATOM 1160 OE1 GLU A 74 17.178 -4.547 -7.699 1.00 1.01 O ATOM 1161 OE2 GLU A 74 15.433 -3.613 -8.634 1.00 0.84 O ATOM 0 H GLU A 74 14.947 -0.346 -5.951 1.00 0.47 H new ATOM 0 HA GLU A 74 14.599 -3.219 -5.728 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.998 -1.429 -5.235 1.00 0.57 H new ATOM 0 HB3 GLU A 74 17.022 -3.180 -5.280 1.00 0.57 H new ATOM 0 HG2 GLU A 74 16.153 -1.462 -7.623 1.00 0.65 H new ATOM 0 HG3 GLU A 74 17.802 -2.005 -7.382 1.00 0.65 H new ATOM 1168 N LEU A 75 14.890 -1.218 -3.143 1.00 0.47 N ATOM 1169 CA LEU A 75 14.756 -1.116 -1.693 1.00 0.48 C ATOM 1170 C LEU A 75 13.340 -1.495 -1.270 1.00 0.43 C ATOM 1171 O LEU A 75 13.124 -2.101 -0.220 1.00 0.44 O ATOM 1172 CB LEU A 75 15.065 0.312 -1.230 1.00 0.53 C ATOM 1173 CG LEU A 75 15.026 0.524 0.284 1.00 0.56 C ATOM 1174 CD1 LEU A 75 16.317 0.037 0.926 1.00 0.65 C ATOM 1175 CD2 LEU A 75 14.775 1.988 0.611 1.00 0.61 C ATOM 0 H LEU A 75 14.954 -0.320 -3.622 1.00 0.47 H new ATOM 0 HA LEU A 75 15.466 -1.802 -1.230 1.00 0.48 H new ATOM 0 HB2 LEU A 75 16.054 0.590 -1.595 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.351 0.991 -1.695 1.00 0.53 H new ATOM 0 HG LEU A 75 14.203 -0.061 0.694 1.00 0.56 H new ATOM 0 HD11 LEU A 75 16.270 0.196 2.003 1.00 0.65 H new ATOM 0 HD12 LEU A 75 16.447 -1.026 0.722 1.00 0.65 H new ATOM 0 HD13 LEU A 75 17.160 0.591 0.514 1.00 0.65 H new ATOM 0 HD21 LEU A 75 14.750 2.120 1.693 1.00 0.61 H new ATOM 0 HD22 LEU A 75 15.574 2.597 0.189 1.00 0.61 H new ATOM 0 HD23 LEU A 75 13.820 2.297 0.186 1.00 0.61 H new ATOM 1187 N SER A 76 12.380 -1.153 -2.121 1.00 0.45 N ATOM 1188 CA SER A 76 10.973 -1.431 -1.863 1.00 0.46 C ATOM 1189 C SER A 76 10.677 -2.934 -1.913 1.00 0.43 C ATOM 1190 O SER A 76 9.584 -3.369 -1.546 1.00 0.45 O ATOM 1191 CB SER A 76 10.108 -0.686 -2.882 1.00 0.55 C ATOM 1192 OG SER A 76 10.431 0.698 -2.905 1.00 0.82 O ATOM 0 H SER A 76 12.554 -0.677 -3.006 1.00 0.45 H new ATOM 0 HA SER A 76 10.735 -1.083 -0.858 1.00 0.46 H new ATOM 0 HB2 SER A 76 10.256 -1.115 -3.873 1.00 0.55 H new ATOM 0 HB3 SER A 76 9.054 -0.814 -2.633 1.00 0.55 H new ATOM 0 HG SER A 76 11.313 0.821 -3.315 1.00 0.82 H new ATOM 1198 N LYS A 77 11.663 -3.720 -2.336 1.00 0.45 N ATOM 1199 CA LYS A 77 11.508 -5.164 -2.437 1.00 0.51 C ATOM 1200 C LYS A 77 11.354 -5.798 -1.057 1.00 0.47 C ATOM 1201 O LYS A 77 10.846 -6.910 -0.929 1.00 0.56 O ATOM 1202 CB LYS A 77 12.706 -5.770 -3.163 1.00 0.63 C ATOM 1203 CG LYS A 77 12.358 -6.995 -3.987 1.00 0.94 C ATOM 1204 CD LYS A 77 13.465 -7.330 -4.968 1.00 1.20 C ATOM 1205 CE LYS A 77 12.942 -8.151 -6.133 1.00 1.60 C ATOM 1206 NZ LYS A 77 13.927 -8.235 -7.240 1.00 1.89 N ATOM 0 H LYS A 77 12.582 -3.377 -2.615 1.00 0.45 H new ATOM 0 HA LYS A 77 10.602 -5.370 -3.007 1.00 0.51 H new ATOM 0 HB2 LYS A 77 13.145 -5.015 -3.816 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.467 -6.039 -2.430 1.00 0.63 H new ATOM 0 HG2 LYS A 77 12.186 -7.844 -3.326 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.429 -6.820 -4.529 1.00 0.94 H new ATOM 0 HD2 LYS A 77 13.913 -6.409 -5.342 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.252 -7.883 -4.456 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.698 -9.156 -5.788 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.018 -7.708 -6.503 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 13.531 -8.804 -8.015 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 14.141 -7.278 -7.587 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.800 -8.682 -6.894 1.00 1.89 H new ATOM 1220 N THR A 78 11.803 -5.096 -0.026 1.00 0.42 N ATOM 1221 CA THR A 78 11.683 -5.604 1.330 1.00 0.48 C ATOM 1222 C THR A 78 10.528 -4.911 2.056 1.00 0.43 C ATOM 1223 O THR A 78 10.287 -5.145 3.244 1.00 0.53 O ATOM 1224 CB THR A 78 12.997 -5.439 2.127 1.00 0.59 C ATOM 1225 OG1 THR A 78 12.937 -6.223 3.325 1.00 0.84 O ATOM 1226 CG2 THR A 78 13.256 -3.981 2.486 1.00 0.63 C ATOM 0 H THR A 78 12.249 -4.182 -0.102 1.00 0.42 H new ATOM 0 HA THR A 78 11.474 -6.672 1.263 1.00 0.48 H new ATOM 0 HB THR A 78 13.817 -5.783 1.496 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.027 -6.196 3.688 1.00 0.84 H new ATOM 0 HG21 THR A 78 14.188 -3.904 3.046 1.00 0.63 H new ATOM 0 HG22 THR A 78 13.331 -3.389 1.574 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.435 -3.605 3.096 1.00 0.63 H new ATOM 1234 N PHE A 79 9.812 -4.064 1.324 1.00 0.36 N ATOM 1235 CA PHE A 79 8.676 -3.341 1.881 1.00 0.38 C ATOM 1236 C PHE A 79 7.394 -4.124 1.636 1.00 0.32 C ATOM 1237 O PHE A 79 6.430 -4.016 2.392 1.00 0.33 O ATOM 1238 CB PHE A 79 8.555 -1.946 1.252 1.00 0.46 C ATOM 1239 CG PHE A 79 9.461 -0.904 1.858 1.00 0.51 C ATOM 1240 CD1 PHE A 79 10.662 -1.255 2.449 1.00 0.96 C ATOM 1241 CD2 PHE A 79 9.102 0.434 1.830 1.00 1.10 C ATOM 1242 CE1 PHE A 79 11.487 -0.293 3.002 1.00 1.01 C ATOM 1243 CE2 PHE A 79 9.923 1.401 2.381 1.00 1.16 C ATOM 1244 CZ PHE A 79 11.118 1.035 2.968 1.00 0.70 C ATOM 0 H PHE A 79 9.999 -3.862 0.342 1.00 0.36 H new ATOM 0 HA PHE A 79 8.835 -3.226 2.953 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.772 -2.022 0.187 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.523 -1.609 1.344 1.00 0.46 H new ATOM 0 HD1 PHE A 79 10.959 -2.293 2.479 1.00 0.96 H new ATOM 0 HD2 PHE A 79 8.169 0.726 1.372 1.00 1.10 H new ATOM 0 HE1 PHE A 79 12.421 -0.582 3.461 1.00 1.01 H new ATOM 0 HE2 PHE A 79 9.630 2.440 2.352 1.00 1.16 H new ATOM 0 HZ PHE A 79 11.762 1.787 3.399 1.00 0.70 H new ATOM 1254 N ILE A 80 7.396 -4.918 0.574 1.00 0.38 N ATOM 1255 CA ILE A 80 6.234 -5.717 0.216 1.00 0.36 C ATOM 1256 C ILE A 80 6.083 -6.917 1.148 1.00 0.33 C ATOM 1257 O ILE A 80 7.008 -7.713 1.321 1.00 0.42 O ATOM 1258 CB ILE A 80 6.304 -6.203 -1.254 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.157 -7.176 -1.557 1.00 0.46 C ATOM 1260 CG2 ILE A 80 7.652 -6.853 -1.548 1.00 0.58 C ATOM 1261 CD1 ILE A 80 5.099 -7.619 -3.003 1.00 0.72 C ATOM 0 H ILE A 80 8.192 -5.025 -0.055 1.00 0.38 H new ATOM 0 HA ILE A 80 5.362 -5.073 0.324 1.00 0.36 H new ATOM 0 HB ILE A 80 6.198 -5.334 -1.904 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.261 -8.055 -0.921 1.00 0.46 H new ATOM 0 HG13 ILE A 80 4.211 -6.702 -1.294 1.00 0.46 H new ATOM 0 HG21 ILE A 80 7.677 -7.186 -2.586 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.449 -6.129 -1.380 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.795 -7.709 -0.889 1.00 0.58 H new ATOM 0 HD11 ILE A 80 4.263 -8.305 -3.140 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.963 -6.749 -3.645 1.00 0.72 H new ATOM 0 HD13 ILE A 80 6.029 -8.123 -3.267 1.00 0.72 H new ATOM 1273 N ILE A 81 4.918 -7.025 1.769 1.00 0.28 N ATOM 1274 CA ILE A 81 4.635 -8.129 2.674 1.00 0.32 C ATOM 1275 C ILE A 81 3.467 -8.956 2.146 1.00 0.29 C ATOM 1276 O ILE A 81 3.063 -9.949 2.754 1.00 0.31 O ATOM 1277 CB ILE A 81 4.318 -7.651 4.117 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.922 -7.001 4.204 1.00 0.50 C ATOM 1279 CG2 ILE A 81 5.396 -6.694 4.617 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.822 -5.627 3.568 1.00 0.77 C ATOM 0 H ILE A 81 4.152 -6.360 1.662 1.00 0.28 H new ATOM 0 HA ILE A 81 5.537 -8.739 2.719 1.00 0.32 H new ATOM 0 HB ILE A 81 4.311 -8.529 4.763 1.00 0.42 H new ATOM 0 HG12 ILE A 81 2.198 -7.661 3.726 1.00 0.50 H new ATOM 0 HG13 ILE A 81 2.637 -6.922 5.253 1.00 0.50 H new ATOM 0 HG21 ILE A 81 5.155 -6.371 5.630 1.00 0.43 H new ATOM 0 HG22 ILE A 81 6.361 -7.201 4.618 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.444 -5.825 3.961 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.806 -5.249 3.677 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.517 -4.947 4.060 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.071 -5.697 2.509 1.00 0.77 H new ATOM 1292 N GLY A 82 2.930 -8.543 1.004 1.00 0.32 N ATOM 1293 CA GLY A 82 1.817 -9.253 0.421 1.00 0.35 C ATOM 1294 C GLY A 82 1.306 -8.599 -0.839 1.00 0.31 C ATOM 1295 O GLY A 82 1.873 -7.614 -1.314 1.00 0.34 O ATOM 0 H GLY A 82 3.247 -7.730 0.475 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.120 -10.276 0.197 1.00 0.35 H new ATOM 0 HA3 GLY A 82 1.008 -9.313 1.149 1.00 0.35 H new ATOM 1299 N GLU A 83 0.229 -9.142 -1.376 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.374 -8.623 -2.590 1.00 0.31 C ATOM 1301 C GLU A 83 -1.883 -8.538 -2.425 1.00 0.32 C ATOM 1302 O GLU A 83 -2.428 -8.952 -1.399 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.037 -9.519 -3.783 1.00 0.37 C ATOM 1304 CG GLU A 83 1.334 -9.260 -4.382 1.00 0.61 C ATOM 1305 CD GLU A 83 1.544 -9.996 -5.689 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.543 -10.442 -6.295 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.712 -10.127 -6.120 1.00 0.86 O ATOM 0 H GLU A 83 -0.251 -9.952 -0.985 1.00 0.30 H new ATOM 0 HA GLU A 83 0.027 -7.626 -2.775 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.094 -10.561 -3.469 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.793 -9.377 -4.556 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.459 -8.190 -4.547 1.00 0.61 H new ATOM 0 HG3 GLU A 83 2.101 -9.564 -3.670 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.551 -7.998 -3.428 1.00 0.38 N ATOM 1315 CA LEU A 84 -3.996 -7.876 -3.391 1.00 0.44 C ATOM 1316 C LEU A 84 -4.646 -9.133 -3.951 1.00 0.40 C ATOM 1317 O LEU A 84 -4.132 -9.731 -4.905 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.453 -6.649 -4.182 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.151 -5.567 -3.354 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.488 -6.070 -2.834 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.268 -5.125 -2.200 1.00 0.87 C ATOM 0 H LEU A 84 -2.116 -7.637 -4.277 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.304 -7.753 -2.353 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.585 -6.207 -4.671 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.131 -6.976 -4.970 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.333 -4.708 -4.000 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.969 -5.287 -2.248 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.128 -6.338 -3.675 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.328 -6.946 -2.206 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.781 -4.356 -1.623 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -4.055 -5.979 -1.557 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.333 -4.723 -2.590 1.00 0.87 H new ATOM 1333 N HIS A 85 -5.759 -9.528 -3.340 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.510 -10.711 -3.757 1.00 0.48 C ATOM 1335 C HIS A 85 -6.834 -10.652 -5.244 1.00 0.42 C ATOM 1336 O HIS A 85 -7.150 -9.587 -5.770 1.00 0.39 O ATOM 1337 CB HIS A 85 -7.810 -10.813 -2.957 1.00 0.61 C ATOM 1338 CG HIS A 85 -7.802 -11.894 -1.919 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -7.138 -11.779 -0.718 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -8.384 -13.116 -1.907 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -7.311 -12.881 -0.014 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -8.063 -13.707 -0.712 1.00 1.10 N ATOM 0 H HIS A 85 -6.166 -9.039 -2.543 1.00 0.45 H new ATOM 0 HA HIS A 85 -5.893 -11.589 -3.568 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.001 -9.857 -2.470 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.636 -10.991 -3.646 1.00 0.61 H new ATOM 0 HD1 HIS A 85 -6.597 -10.968 -0.419 1.00 1.22 H new ATOM 0 HD2 HIS A 85 -8.988 -13.545 -2.692 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -6.905 -13.073 0.968 1.00 1.48 H new ATOM 1351 N PRO A 86 -6.762 -11.798 -5.941 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.052 -11.871 -7.377 1.00 0.44 C ATOM 1353 C PRO A 86 -8.482 -11.441 -7.693 1.00 0.40 C ATOM 1354 O PRO A 86 -8.752 -10.869 -8.748 1.00 0.42 O ATOM 1355 CB PRO A 86 -6.848 -13.352 -7.721 1.00 0.53 C ATOM 1356 CG PRO A 86 -6.906 -14.070 -6.418 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.382 -13.110 -5.391 1.00 0.53 C ATOM 0 HA PRO A 86 -6.413 -11.203 -7.954 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -7.622 -13.708 -8.401 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -5.890 -13.512 -8.216 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -7.927 -14.372 -6.184 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.304 -14.978 -6.446 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -6.829 -13.282 -4.412 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.303 -13.199 -5.269 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.394 -11.711 -6.764 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.799 -11.344 -6.929 1.00 0.43 C ATOM 1367 C ASP A 87 -10.956 -9.830 -6.879 1.00 0.41 C ATOM 1368 O ASP A 87 -11.871 -9.262 -7.475 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.655 -12.002 -5.841 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.530 -13.512 -5.847 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.521 -14.028 -5.320 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.433 -14.189 -6.387 1.00 1.30 O ATOM 0 H ASP A 87 -9.185 -12.185 -5.885 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.140 -11.700 -7.901 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.356 -11.619 -4.865 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.699 -11.725 -5.986 1.00 0.55 H new ATOM 1377 N ASP A 88 -10.036 -9.182 -6.184 1.00 0.42 N ATOM 1378 CA ASP A 88 -10.042 -7.731 -6.054 1.00 0.50 C ATOM 1379 C ASP A 88 -9.054 -7.126 -7.045 1.00 0.49 C ATOM 1380 O ASP A 88 -8.716 -5.945 -6.969 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.650 -7.316 -4.629 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.694 -7.674 -3.590 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.863 -7.261 -3.741 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -10.350 -8.367 -2.603 1.00 1.20 O ATOM 0 H ASP A 88 -9.267 -9.642 -5.696 1.00 0.42 H new ATOM 0 HA ASP A 88 -11.048 -7.367 -6.263 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.707 -7.794 -4.366 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.479 -6.240 -4.606 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.591 -7.947 -7.980 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.622 -7.506 -8.970 1.00 0.51 C ATOM 1391 C ARG A 89 -8.117 -7.730 -10.395 1.00 0.57 C ATOM 1392 O ARG A 89 -8.162 -6.801 -11.196 1.00 0.80 O ATOM 1393 CB ARG A 89 -6.305 -8.255 -8.765 1.00 0.56 C ATOM 1394 CG ARG A 89 -5.167 -7.752 -9.637 1.00 0.89 C ATOM 1395 CD ARG A 89 -4.013 -8.743 -9.671 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.568 -9.117 -8.326 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.323 -9.494 -8.026 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.394 -9.556 -8.973 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -2.010 -9.811 -6.776 1.00 0.81 N ATOM 0 H ARG A 89 -8.873 -8.923 -8.072 1.00 0.44 H new ATOM 0 HA ARG A 89 -7.474 -6.435 -8.834 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -6.011 -8.173 -7.719 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.465 -9.314 -8.969 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -5.531 -7.581 -10.650 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.814 -6.793 -9.259 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -4.320 -9.638 -10.213 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -3.178 -8.308 -10.221 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.253 -9.087 -7.571 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.630 -9.315 -9.936 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.444 -9.845 -8.738 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.720 -9.767 -6.045 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.059 -10.099 -6.546 1.00 0.81 H new ATOM 1413 N SER A 90 -8.482 -8.962 -10.713 1.00 0.50 N ATOM 1414 CA SER A 90 -8.933 -9.292 -12.057 1.00 0.59 C ATOM 1415 C SER A 90 -10.428 -9.610 -12.112 1.00 0.57 C ATOM 1416 O SER A 90 -10.915 -10.144 -13.109 1.00 0.88 O ATOM 1417 CB SER A 90 -8.126 -10.483 -12.577 1.00 0.71 C ATOM 1418 OG SER A 90 -7.089 -10.828 -11.667 1.00 1.16 O ATOM 0 H SER A 90 -8.475 -9.747 -10.062 1.00 0.50 H new ATOM 0 HA SER A 90 -8.772 -8.417 -12.687 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.786 -11.338 -12.724 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.697 -10.240 -13.549 1.00 0.71 H new ATOM 0 HG SER A 90 -6.587 -11.593 -12.018 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.161 -9.283 -11.054 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.597 -9.552 -11.025 1.00 0.49 C ATOM 1426 C LYS A 91 -13.392 -8.296 -10.683 1.00 0.51 C ATOM 1427 O LYS A 91 -14.131 -7.778 -11.521 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.925 -10.664 -10.020 1.00 0.47 C ATOM 1429 CG LYS A 91 -12.510 -12.051 -10.476 1.00 1.02 C ATOM 1430 CD LYS A 91 -12.986 -13.116 -9.501 1.00 1.09 C ATOM 1431 CE LYS A 91 -12.616 -14.511 -9.975 1.00 1.24 C ATOM 1432 NZ LYS A 91 -13.384 -14.907 -11.186 1.00 1.76 N ATOM 0 H LYS A 91 -10.792 -8.837 -10.214 1.00 0.52 H new ATOM 0 HA LYS A 91 -12.885 -9.881 -12.024 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -12.432 -10.441 -9.074 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -13.998 -10.662 -9.829 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -12.922 -12.250 -11.465 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -11.425 -12.097 -10.568 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -12.546 -12.935 -8.520 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.067 -13.046 -9.383 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -11.549 -14.549 -10.193 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -12.804 -15.228 -9.176 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.232 -15.918 -11.379 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.397 -14.734 -11.027 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -13.061 -14.347 -12.001 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.231 -7.818 -9.445 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.936 -6.627 -8.959 1.00 0.55 C ATOM 1448 C LEU A 92 -15.439 -6.891 -8.875 1.00 0.58 C ATOM 1449 O LEU A 92 -16.256 -5.976 -8.951 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.659 -5.401 -9.851 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.359 -4.637 -9.564 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -12.205 -4.373 -8.075 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.152 -5.393 -10.101 1.00 0.90 C ATOM 0 H LEU A 92 -12.612 -8.243 -8.755 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.559 -6.406 -7.961 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.641 -5.730 -10.890 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.494 -4.708 -9.750 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.414 -3.677 -10.078 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -11.277 -3.831 -7.896 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -13.047 -3.778 -7.722 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -12.181 -5.321 -7.538 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.244 -4.830 -9.884 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.094 -6.372 -9.625 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -11.252 -5.519 -11.179 1.00 0.90 H new ATOM 1465 N SER A 93 -15.794 -8.155 -8.709 1.00 0.52 N ATOM 1466 CA SER A 93 -17.188 -8.557 -8.617 1.00 0.57 C ATOM 1467 C SER A 93 -17.660 -8.564 -7.164 1.00 0.58 C ATOM 1468 O SER A 93 -18.276 -9.525 -6.700 1.00 0.70 O ATOM 1469 CB SER A 93 -17.354 -9.946 -9.231 1.00 0.62 C ATOM 1470 OG SER A 93 -16.438 -10.140 -10.299 1.00 0.70 O ATOM 0 H SER A 93 -15.130 -8.926 -8.635 1.00 0.52 H new ATOM 0 HA SER A 93 -17.798 -7.839 -9.165 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.195 -10.707 -8.467 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.374 -10.068 -9.595 1.00 0.62 H new ATOM 0 HG SER A 93 -16.560 -11.036 -10.676 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.379 -7.484 -6.447 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.770 -7.377 -5.051 1.00 0.60 C ATOM 1478 C LYS A 94 -18.506 -6.065 -4.799 1.00 0.71 C ATOM 1479 O LYS A 94 -18.084 -5.011 -5.276 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.540 -7.477 -4.144 1.00 0.56 C ATOM 1481 CG LYS A 94 -16.052 -8.905 -3.946 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.619 -8.953 -3.432 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.488 -8.354 -2.037 1.00 0.85 C ATOM 1484 NZ LYS A 94 -13.070 -8.278 -1.596 1.00 0.93 N ATOM 0 H LYS A 94 -16.882 -6.671 -6.810 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.444 -8.202 -4.819 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.733 -6.881 -4.570 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.777 -7.044 -3.172 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.707 -9.417 -3.241 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -16.116 -9.444 -4.891 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -14.275 -9.987 -3.415 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -13.969 -8.412 -4.120 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.925 -7.355 -2.029 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -15.057 -8.956 -1.329 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.960 -7.501 -0.913 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.798 -9.175 -1.147 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.459 -8.104 -2.420 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.624 -6.116 -4.060 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.415 -4.926 -3.738 1.00 0.92 C ATOM 1500 C PRO A 95 -19.721 -4.032 -2.708 1.00 0.95 C ATOM 1501 O PRO A 95 -18.918 -4.508 -1.901 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.709 -5.506 -3.164 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.319 -6.830 -2.610 1.00 1.05 C ATOM 1504 CD PRO A 95 -20.209 -7.344 -3.484 1.00 0.84 C ATOM 0 HA PRO A 95 -20.570 -4.288 -4.608 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -22.123 -4.860 -2.390 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.472 -5.609 -3.935 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.988 -6.736 -1.576 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -22.165 -7.517 -2.612 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.474 -7.907 -2.909 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.585 -8.011 -4.260 1.00 0.84 H new ATOM 1512 N MET A 96 -20.030 -2.743 -2.738 1.00 1.06 N ATOM 1513 CA MET A 96 -19.426 -1.799 -1.812 1.00 1.14 C ATOM 1514 C MET A 96 -20.478 -1.196 -0.887 1.00 1.16 C ATOM 1515 O MET A 96 -20.520 -1.525 0.299 1.00 1.25 O ATOM 1516 CB MET A 96 -18.700 -0.694 -2.582 1.00 1.31 C ATOM 1517 CG MET A 96 -17.911 0.246 -1.692 1.00 1.38 C ATOM 1518 SD MET A 96 -17.015 1.499 -2.631 1.00 1.63 S ATOM 1519 CE MET A 96 -18.376 2.391 -3.385 1.00 1.94 C ATOM 0 H MET A 96 -20.694 -2.329 -3.392 1.00 1.06 H new ATOM 0 HA MET A 96 -18.702 -2.336 -1.199 1.00 1.14 H new ATOM 0 HB2 MET A 96 -18.024 -1.150 -3.305 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.431 -0.117 -3.149 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.590 0.736 -0.995 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.204 -0.331 -1.096 1.00 1.38 H new ATOM 0 HE1 MET A 96 -18.036 3.379 -3.695 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.734 1.841 -4.255 1.00 1.94 H new ATOM 0 HE3 MET A 96 -19.186 2.496 -2.664 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.333 -0.334 -1.446 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.391 0.336 -0.684 1.00 1.22 C ATOM 1531 C GLU A 97 -21.793 1.304 0.347 1.00 1.29 C ATOM 1532 O GLU A 97 -21.036 0.905 1.229 1.00 1.36 O ATOM 1533 CB GLU A 97 -23.298 -0.698 0.001 1.00 1.28 C ATOM 1534 CG GLU A 97 -24.383 -0.094 0.876 1.00 1.50 C ATOM 1535 CD GLU A 97 -25.061 -1.131 1.744 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.457 -1.554 2.753 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -26.197 -1.536 1.424 1.00 2.38 O ATOM 0 H GLU A 97 -21.312 -0.082 -2.434 1.00 1.14 H new ATOM 0 HA GLU A 97 -22.997 0.917 -1.379 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.767 -1.317 -0.764 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.681 -1.358 0.611 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.948 0.679 1.509 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -25.127 0.392 0.245 1.00 1.50 H new ATOM 1544 N THR A 98 -22.135 2.582 0.237 1.00 1.31 N ATOM 1545 CA THR A 98 -21.610 3.579 1.159 1.00 1.40 C ATOM 1546 C THR A 98 -22.404 4.884 1.092 1.00 1.39 C ATOM 1547 O THR A 98 -23.286 5.040 0.245 1.00 1.35 O ATOM 1548 CB THR A 98 -20.113 3.859 0.877 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.542 4.633 1.939 1.00 1.57 O ATOM 1550 CG2 THR A 98 -19.926 4.590 -0.448 1.00 1.37 C ATOM 0 H THR A 98 -22.767 2.949 -0.474 1.00 1.31 H new ATOM 0 HA THR A 98 -21.711 3.170 2.164 1.00 1.40 H new ATOM 0 HB THR A 98 -19.603 2.898 0.815 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.595 4.801 1.749 1.00 1.57 H new ATOM 0 HG21 THR A 98 -18.865 4.772 -0.617 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.323 3.980 -1.259 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.456 5.542 -0.417 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.076 5.810 1.997 1.00 1.46 N ATOM 1559 CA LEU A 99 -22.734 7.113 2.081 1.00 1.48 C ATOM 1560 C LEU A 99 -24.240 6.963 2.272 1.00 1.52 C ATOM 1561 O LEU A 99 -25.035 7.654 1.633 1.00 1.53 O ATOM 1562 CB LEU A 99 -22.428 7.957 0.835 1.00 1.43 C ATOM 1563 CG LEU A 99 -20.979 8.437 0.710 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -20.809 9.296 -0.532 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -20.558 9.204 1.955 1.00 1.61 C ATOM 0 H LEU A 99 -21.344 5.675 2.694 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.337 7.630 2.955 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -22.677 7.372 -0.050 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.083 8.828 0.836 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.334 7.563 0.615 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -19.774 9.629 -0.605 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.066 8.712 -1.416 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -21.465 10.164 -0.467 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -19.526 9.536 1.846 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.206 10.071 2.085 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -20.640 8.555 2.827 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.625 6.063 3.166 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.034 5.826 3.442 1.00 1.68 C ATOM 1579 C ILE A 100 -26.561 6.796 4.494 1.00 1.72 C ATOM 1580 O ILE A 100 -27.742 7.144 4.489 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.295 4.377 3.911 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.448 4.045 5.144 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.001 3.398 2.783 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.780 2.707 5.770 1.00 1.79 C ATOM 0 H ILE A 100 -23.983 5.487 3.711 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.564 5.988 2.503 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.346 4.287 4.187 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.395 4.053 4.863 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.585 4.829 5.889 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.189 2.381 3.126 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -26.646 3.619 1.932 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -24.958 3.493 2.482 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -25.140 2.542 6.637 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.824 2.701 6.083 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.615 1.913 5.041 1.00 1.79 H new ATOM 1596 N THR A 101 -25.682 7.242 5.382 1.00 1.73 N ATOM 1597 CA THR A 101 -26.057 8.156 6.449 1.00 1.77 C ATOM 1598 C THR A 101 -25.566 9.573 6.171 1.00 1.85 C ATOM 1599 O THR A 101 -24.555 9.769 5.497 1.00 1.80 O ATOM 1600 CB THR A 101 -25.476 7.670 7.790 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.374 6.785 7.544 1.00 1.85 O ATOM 1602 CG2 THR A 101 -26.533 6.948 8.613 1.00 1.98 C ATOM 0 H THR A 101 -24.696 6.982 5.382 1.00 1.73 H new ATOM 0 HA THR A 101 -27.146 8.173 6.501 1.00 1.77 H new ATOM 0 HB THR A 101 -25.136 8.540 8.352 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.004 6.478 8.398 1.00 1.85 H new ATOM 0 HG21 THR A 101 -26.096 6.615 9.555 1.00 1.98 H new ATOM 0 HG22 THR A 101 -27.362 7.626 8.817 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.899 6.084 8.058 1.00 1.98 H new ATOM 1610 N THR A 102 -26.291 10.559 6.682 1.00 2.05 N ATOM 1611 CA THR A 102 -25.923 11.952 6.504 1.00 2.18 C ATOM 1612 C THR A 102 -24.888 12.366 7.543 1.00 2.11 C ATOM 1613 O THR A 102 -25.216 12.600 8.709 1.00 2.23 O ATOM 1614 CB THR A 102 -27.157 12.859 6.618 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.183 12.177 7.350 1.00 2.89 O ATOM 1616 CG2 THR A 102 -27.680 13.250 5.244 1.00 2.72 C ATOM 0 H THR A 102 -27.142 10.416 7.226 1.00 2.05 H new ATOM 0 HA THR A 102 -25.495 12.062 5.508 1.00 2.18 H new ATOM 0 HB THR A 102 -26.869 13.770 7.143 1.00 2.58 H new ATOM 0 HG1 THR A 102 -28.971 12.755 7.425 1.00 2.89 H new ATOM 0 HG21 THR A 102 -28.554 13.892 5.356 1.00 2.72 H new ATOM 0 HG22 THR A 102 -26.904 13.786 4.698 1.00 2.72 H new ATOM 0 HG23 THR A 102 -27.958 12.352 4.692 1.00 2.72 H new ATOM 1624 N VAL A 103 -23.635 12.434 7.120 1.00 2.05 N ATOM 1625 CA VAL A 103 -22.545 12.813 8.012 1.00 2.08 C ATOM 1626 C VAL A 103 -22.259 14.308 7.927 1.00 2.14 C ATOM 1627 O VAL A 103 -21.191 14.777 8.329 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.255 12.034 7.690 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.394 10.581 8.100 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -20.904 12.141 6.212 1.00 1.94 C ATOM 0 H VAL A 103 -23.345 12.232 6.163 1.00 2.05 H new ATOM 0 HA VAL A 103 -22.865 12.564 9.024 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.441 12.480 8.262 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.473 10.047 7.865 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.584 10.522 9.172 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.225 10.128 7.559 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -19.990 11.582 6.014 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -21.717 11.730 5.614 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -20.753 13.188 5.949 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.219 15.053 7.407 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.083 16.491 7.260 1.00 2.30 C ATOM 1642 C ASP A 104 -24.343 17.172 7.766 1.00 2.65 C ATOM 1643 O ASP A 104 -24.316 18.398 7.993 1.00 2.86 O ATOM 1644 CB ASP A 104 -22.817 16.865 5.794 1.00 2.32 C ATOM 1645 CG ASP A 104 -24.085 17.069 4.987 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -24.842 16.094 4.783 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -24.327 18.212 4.537 1.00 2.82 O ATOM 0 H ASP A 104 -24.109 14.681 7.077 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.232 16.830 7.850 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -22.223 17.778 5.761 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -22.221 16.080 5.329 1.00 2.32 H new