USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=27 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 -90:sc= -1.82 USER MOD Set 1.2: A 38 THR OG1 : rot 45:sc= -0.739 USER MOD Set 2.1: A 7 LYS NZ :NH3+ 148:sc= 1.21 (180deg=0.622) USER MOD Set 2.2: A 78 THR OG1 : rot -35:sc= 0.243 USER MOD Single : A 4 GLN : amide:sc=-0.00697 K(o=-0.007,f=-0.84) USER MOD Single : A 5 SER OG : rot 180:sc= -0.186 USER MOD Single : A 10 LYS NZ :NH3+ -134:sc= -0.0867 (180deg=-0.522) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0816 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.132) USER MOD Single : A 20 HIS : no HE2:sc= 1.23 K(o=1.2,f=-4.9!) USER MOD Single : A 21 ASN : amide:sc= 0.786 K(o=0.79,f=-5.4!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0721 X(o=-0.072,f=-0.56) USER MOD Single : A 23 SER OG : rot 180:sc= 0.168 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= -0.238 USER MOD Single : A 31 HIS : no HD1:sc=-0.00226 X(o=-0.0023,f=-0.0014) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= 1.1 (180deg=0.936) USER MOD Single : A 35 TYR OH : rot 30:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -0.632 X(o=-0.63,f=-0.62) USER MOD Single : A 54 GLN : amide:sc= 0.992 K(o=0.99,f=-0.6) USER MOD Single : A 60 THR OG1 : rot 69:sc= 2.03 USER MOD Single : A 62 ASN : amide:sc= 1.19 K(o=1.2,f=-0.052) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -75:sc= 0.175 USER MOD Single : A 76 SER OG : rot 67:sc= 1.13 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.0033) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -160:sc= -0.172 (180deg=-0.546) USER MOD Single : A 93 SER OG : rot 180:sc= -0.14 USER MOD Single : A 94 LYS NZ :NH3+ 179:sc= 1.42 (180deg=1.34) USER MOD Single : A 96 MET CE :methyl 169:sc= -0.0257 (180deg=-0.247) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 101 THR OG1 : rot 180:sc=-0.00396 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.161 USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 19.087 -11.453 17.350 1.00 0.86 N ATOM 21 CA ALA A 2 18.058 -10.819 16.547 1.00 0.87 C ATOM 22 C ALA A 2 18.495 -10.742 15.094 1.00 0.72 C ATOM 23 O ALA A 2 19.162 -9.792 14.684 1.00 0.87 O ATOM 24 CB ALA A 2 17.753 -9.429 17.083 1.00 1.10 C ATOM 0 HA ALA A 2 17.151 -11.420 16.605 1.00 0.87 H new ATOM 0 HB1 ALA A 2 16.979 -8.965 16.471 1.00 1.10 H new ATOM 0 HB2 ALA A 2 17.404 -9.505 18.113 1.00 1.10 H new ATOM 0 HB3 ALA A 2 18.656 -8.820 17.049 1.00 1.10 H new ATOM 30 N ALA A 3 18.141 -11.756 14.319 1.00 0.71 N ATOM 31 CA ALA A 3 18.502 -11.795 12.910 1.00 0.72 C ATOM 32 C ALA A 3 17.461 -12.560 12.104 1.00 0.70 C ATOM 33 O ALA A 3 17.535 -13.780 11.969 1.00 1.05 O ATOM 34 CB ALA A 3 19.879 -12.420 12.728 1.00 0.96 C ATOM 0 H ALA A 3 17.605 -12.562 14.641 1.00 0.71 H new ATOM 0 HA ALA A 3 18.534 -10.770 12.540 1.00 0.72 H new ATOM 0 HB1 ALA A 3 20.132 -12.441 11.668 1.00 0.96 H new ATOM 0 HB2 ALA A 3 20.620 -11.830 13.267 1.00 0.96 H new ATOM 0 HB3 ALA A 3 19.871 -13.437 13.119 1.00 0.96 H new ATOM 40 N GLN A 4 16.478 -11.841 11.589 1.00 0.66 N ATOM 41 CA GLN A 4 15.429 -12.454 10.795 1.00 0.68 C ATOM 42 C GLN A 4 15.389 -11.832 9.406 1.00 0.66 C ATOM 43 O GLN A 4 15.515 -10.615 9.255 1.00 0.81 O ATOM 44 CB GLN A 4 14.071 -12.311 11.487 1.00 0.83 C ATOM 45 CG GLN A 4 13.671 -10.876 11.797 1.00 0.97 C ATOM 46 CD GLN A 4 12.405 -10.794 12.620 1.00 1.33 C ATOM 47 OE1 GLN A 4 12.126 -11.665 13.443 1.00 1.79 O ATOM 48 NE2 GLN A 4 11.628 -9.748 12.407 1.00 1.63 N ATOM 0 H GLN A 4 16.385 -10.832 11.707 1.00 0.66 H new ATOM 0 HA GLN A 4 15.648 -13.517 10.695 1.00 0.68 H new ATOM 0 HB2 GLN A 4 13.305 -12.760 10.854 1.00 0.83 H new ATOM 0 HB3 GLN A 4 14.089 -12.879 12.417 1.00 0.83 H new ATOM 0 HG2 GLN A 4 14.482 -10.384 12.334 1.00 0.97 H new ATOM 0 HG3 GLN A 4 13.530 -10.332 10.863 1.00 0.97 H new ATOM 0 HE21 GLN A 4 11.894 -9.047 11.716 1.00 1.63 H new ATOM 0 HE22 GLN A 4 10.761 -9.641 12.934 1.00 1.63 H new ATOM 57 N SER A 5 15.238 -12.672 8.396 1.00 0.71 N ATOM 58 CA SER A 5 15.185 -12.220 7.016 1.00 0.76 C ATOM 59 C SER A 5 14.445 -13.240 6.159 1.00 0.73 C ATOM 60 O SER A 5 14.995 -14.284 5.806 1.00 1.11 O ATOM 61 CB SER A 5 16.601 -11.999 6.459 1.00 0.98 C ATOM 62 OG SER A 5 17.346 -11.109 7.278 1.00 1.18 O ATOM 0 H SER A 5 15.149 -13.682 8.508 1.00 0.71 H new ATOM 0 HA SER A 5 14.650 -11.271 6.988 1.00 0.76 H new ATOM 0 HB2 SER A 5 17.120 -12.955 6.391 1.00 0.98 H new ATOM 0 HB3 SER A 5 16.537 -11.598 5.447 1.00 0.98 H new ATOM 0 HG SER A 5 18.242 -10.989 6.900 1.00 1.18 H new ATOM 68 N ASP A 6 13.191 -12.951 5.844 1.00 0.62 N ATOM 69 CA ASP A 6 12.386 -13.851 5.024 1.00 0.68 C ATOM 70 C ASP A 6 11.432 -13.052 4.147 1.00 0.58 C ATOM 71 O ASP A 6 11.366 -11.824 4.245 1.00 0.80 O ATOM 72 CB ASP A 6 11.600 -14.834 5.898 1.00 0.89 C ATOM 73 CG ASP A 6 11.508 -16.218 5.282 1.00 1.54 C ATOM 74 OD1 ASP A 6 11.035 -16.336 4.130 1.00 1.98 O ATOM 75 OD2 ASP A 6 11.919 -17.193 5.948 1.00 2.18 O ATOM 0 H ASP A 6 12.708 -12.103 6.142 1.00 0.62 H new ATOM 0 HA ASP A 6 13.060 -14.424 4.387 1.00 0.68 H new ATOM 0 HB2 ASP A 6 12.077 -14.906 6.876 1.00 0.89 H new ATOM 0 HB3 ASP A 6 10.595 -14.446 6.061 1.00 0.89 H new ATOM 80 N LYS A 7 10.696 -13.747 3.296 1.00 0.54 N ATOM 81 CA LYS A 7 9.750 -13.105 2.395 1.00 0.58 C ATOM 82 C LYS A 7 8.482 -13.938 2.264 1.00 0.53 C ATOM 83 O LYS A 7 8.506 -15.053 1.743 1.00 0.85 O ATOM 84 CB LYS A 7 10.382 -12.883 1.016 1.00 0.81 C ATOM 85 CG LYS A 7 11.383 -11.737 0.988 1.00 1.05 C ATOM 86 CD LYS A 7 10.686 -10.387 1.059 1.00 1.24 C ATOM 87 CE LYS A 7 11.621 -9.303 1.571 1.00 1.58 C ATOM 88 NZ LYS A 7 11.737 -9.318 3.057 1.00 1.91 N ATOM 0 H LYS A 7 10.735 -14.763 3.209 1.00 0.54 H new ATOM 0 HA LYS A 7 9.486 -12.135 2.817 1.00 0.58 H new ATOM 0 HB2 LYS A 7 10.881 -13.800 0.701 1.00 0.81 H new ATOM 0 HB3 LYS A 7 9.593 -12.684 0.291 1.00 0.81 H new ATOM 0 HG2 LYS A 7 12.074 -11.835 1.825 1.00 1.05 H new ATOM 0 HG3 LYS A 7 11.977 -11.794 0.076 1.00 1.05 H new ATOM 0 HD2 LYS A 7 10.318 -10.114 0.070 1.00 1.24 H new ATOM 0 HD3 LYS A 7 9.818 -10.459 1.714 1.00 1.24 H new ATOM 0 HE2 LYS A 7 12.608 -9.438 1.129 1.00 1.58 H new ATOM 0 HE3 LYS A 7 11.257 -8.328 1.246 1.00 1.58 H new ATOM 0 HZ1 LYS A 7 12.690 -9.007 3.334 1.00 1.91 H new ATOM 0 HZ2 LYS A 7 11.030 -8.674 3.467 1.00 1.91 H new ATOM 0 HZ3 LYS A 7 11.572 -10.283 3.408 1.00 1.91 H new ATOM 102 N ASP A 8 7.380 -13.396 2.752 1.00 0.50 N ATOM 103 CA ASP A 8 6.094 -14.076 2.699 1.00 0.54 C ATOM 104 C ASP A 8 5.064 -13.185 2.018 1.00 0.51 C ATOM 105 O ASP A 8 4.933 -12.011 2.359 1.00 0.83 O ATOM 106 CB ASP A 8 5.631 -14.436 4.113 1.00 0.75 C ATOM 107 CG ASP A 8 4.320 -15.196 4.131 1.00 1.00 C ATOM 108 OD1 ASP A 8 4.223 -16.240 3.444 1.00 1.44 O ATOM 109 OD2 ASP A 8 3.392 -14.776 4.852 1.00 1.72 O ATOM 0 H ASP A 8 7.349 -12.477 3.194 1.00 0.50 H new ATOM 0 HA ASP A 8 6.201 -14.995 2.122 1.00 0.54 H new ATOM 0 HB2 ASP A 8 6.400 -15.037 4.599 1.00 0.75 H new ATOM 0 HB3 ASP A 8 5.523 -13.522 4.698 1.00 0.75 H new ATOM 114 N VAL A 9 4.361 -13.729 1.038 1.00 0.39 N ATOM 115 CA VAL A 9 3.361 -12.961 0.315 1.00 0.35 C ATOM 116 C VAL A 9 1.954 -13.338 0.771 1.00 0.33 C ATOM 117 O VAL A 9 1.448 -14.420 0.460 1.00 0.44 O ATOM 118 CB VAL A 9 3.505 -13.127 -1.222 1.00 0.44 C ATOM 119 CG1 VAL A 9 3.618 -14.597 -1.613 1.00 0.55 C ATOM 120 CG2 VAL A 9 2.351 -12.461 -1.964 1.00 0.47 C ATOM 0 H VAL A 9 4.463 -14.695 0.726 1.00 0.39 H new ATOM 0 HA VAL A 9 3.529 -11.909 0.546 1.00 0.35 H new ATOM 0 HB VAL A 9 4.428 -12.627 -1.516 1.00 0.44 H new ATOM 0 HG11 VAL A 9 3.718 -14.679 -2.695 1.00 0.55 H new ATOM 0 HG12 VAL A 9 4.494 -15.035 -1.134 1.00 0.55 H new ATOM 0 HG13 VAL A 9 2.724 -15.129 -1.290 1.00 0.55 H new ATOM 0 HG21 VAL A 9 2.483 -12.596 -3.038 1.00 0.47 H new ATOM 0 HG22 VAL A 9 1.409 -12.914 -1.654 1.00 0.47 H new ATOM 0 HG23 VAL A 9 2.335 -11.396 -1.731 1.00 0.47 H new ATOM 130 N LYS A 10 1.341 -12.448 1.538 1.00 0.30 N ATOM 131 CA LYS A 10 -0.006 -12.665 2.038 1.00 0.34 C ATOM 132 C LYS A 10 -1.013 -11.916 1.174 1.00 0.34 C ATOM 133 O LYS A 10 -0.849 -10.728 0.900 1.00 0.48 O ATOM 134 CB LYS A 10 -0.105 -12.213 3.497 1.00 0.42 C ATOM 135 CG LYS A 10 -1.411 -12.595 4.174 1.00 0.93 C ATOM 136 CD LYS A 10 -1.259 -12.675 5.686 1.00 0.98 C ATOM 137 CE LYS A 10 -0.459 -13.900 6.113 1.00 1.27 C ATOM 138 NZ LYS A 10 -1.095 -15.166 5.662 1.00 1.97 N ATOM 0 H LYS A 10 1.759 -11.564 1.828 1.00 0.30 H new ATOM 0 HA LYS A 10 -0.235 -13.730 1.990 1.00 0.34 H new ATOM 0 HB2 LYS A 10 0.723 -12.646 4.058 1.00 0.42 H new ATOM 0 HB3 LYS A 10 0.012 -11.130 3.540 1.00 0.42 H new ATOM 0 HG2 LYS A 10 -2.178 -11.863 3.924 1.00 0.93 H new ATOM 0 HG3 LYS A 10 -1.752 -13.557 3.791 1.00 0.93 H new ATOM 0 HD2 LYS A 10 -0.765 -11.774 6.049 1.00 0.98 H new ATOM 0 HD3 LYS A 10 -2.245 -12.706 6.149 1.00 0.98 H new ATOM 0 HE2 LYS A 10 0.549 -13.835 5.704 1.00 1.27 H new ATOM 0 HE3 LYS A 10 -0.363 -13.910 7.199 1.00 1.27 H new ATOM 0 HZ1 LYS A 10 -1.107 -15.847 6.448 1.00 1.97 H new ATOM 0 HZ2 LYS A 10 -2.070 -14.974 5.355 1.00 1.97 H new ATOM 0 HZ3 LYS A 10 -0.553 -15.563 4.868 1.00 1.97 H new ATOM 152 N TYR A 11 -2.046 -12.614 0.740 1.00 0.34 N ATOM 153 CA TYR A 11 -3.070 -12.018 -0.104 1.00 0.35 C ATOM 154 C TYR A 11 -4.126 -11.311 0.737 1.00 0.33 C ATOM 155 O TYR A 11 -4.940 -11.951 1.403 1.00 0.39 O ATOM 156 CB TYR A 11 -3.719 -13.084 -0.992 1.00 0.43 C ATOM 157 CG TYR A 11 -2.896 -13.440 -2.212 1.00 0.50 C ATOM 158 CD1 TYR A 11 -1.940 -14.450 -2.165 1.00 0.85 C ATOM 159 CD2 TYR A 11 -3.071 -12.760 -3.408 1.00 0.81 C ATOM 160 CE1 TYR A 11 -1.187 -14.772 -3.277 1.00 0.96 C ATOM 161 CE2 TYR A 11 -2.321 -13.074 -4.525 1.00 0.95 C ATOM 162 CZ TYR A 11 -1.380 -14.080 -4.454 1.00 0.83 C ATOM 163 OH TYR A 11 -0.630 -14.391 -5.565 1.00 1.03 O ATOM 0 H TYR A 11 -2.200 -13.598 0.958 1.00 0.34 H new ATOM 0 HA TYR A 11 -2.592 -11.275 -0.743 1.00 0.35 H new ATOM 0 HB2 TYR A 11 -3.886 -13.985 -0.401 1.00 0.43 H new ATOM 0 HB3 TYR A 11 -4.698 -12.729 -1.315 1.00 0.43 H new ATOM 0 HD1 TYR A 11 -1.784 -14.991 -1.243 1.00 0.85 H new ATOM 0 HD2 TYR A 11 -3.806 -11.971 -3.467 1.00 0.81 H new ATOM 0 HE1 TYR A 11 -0.451 -15.561 -3.225 1.00 0.96 H new ATOM 0 HE2 TYR A 11 -2.471 -12.535 -5.449 1.00 0.95 H new ATOM 0 HH TYR A 11 -0.892 -13.810 -6.310 1.00 1.03 H new ATOM 173 N TYR A 12 -4.105 -9.987 0.695 1.00 0.37 N ATOM 174 CA TYR A 12 -5.053 -9.177 1.442 1.00 0.41 C ATOM 175 C TYR A 12 -6.201 -8.739 0.541 1.00 0.42 C ATOM 176 O TYR A 12 -6.062 -8.699 -0.683 1.00 0.45 O ATOM 177 CB TYR A 12 -4.356 -7.955 2.039 1.00 0.45 C ATOM 178 CG TYR A 12 -3.555 -8.263 3.284 1.00 0.51 C ATOM 179 CD1 TYR A 12 -4.192 -8.480 4.498 1.00 0.77 C ATOM 180 CD2 TYR A 12 -2.169 -8.341 3.246 1.00 0.70 C ATOM 181 CE1 TYR A 12 -3.470 -8.761 5.641 1.00 0.91 C ATOM 182 CE2 TYR A 12 -1.442 -8.623 4.385 1.00 0.82 C ATOM 183 CZ TYR A 12 -2.099 -8.832 5.577 1.00 0.82 C ATOM 184 OH TYR A 12 -1.381 -9.115 6.712 1.00 1.02 O ATOM 0 H TYR A 12 -3.435 -9.448 0.146 1.00 0.37 H new ATOM 0 HA TYR A 12 -5.457 -9.780 2.255 1.00 0.41 H new ATOM 0 HB2 TYR A 12 -3.694 -7.522 1.289 1.00 0.45 H new ATOM 0 HB3 TYR A 12 -5.105 -7.200 2.277 1.00 0.45 H new ATOM 0 HD1 TYR A 12 -5.270 -8.428 4.549 1.00 0.77 H new ATOM 0 HD2 TYR A 12 -1.652 -8.179 2.312 1.00 0.70 H new ATOM 0 HE1 TYR A 12 -3.979 -8.924 6.579 1.00 0.91 H new ATOM 0 HE2 TYR A 12 -0.364 -8.679 4.342 1.00 0.82 H new ATOM 0 HH TYR A 12 -0.425 -9.130 6.499 1.00 1.02 H new ATOM 194 N THR A 13 -7.337 -8.437 1.144 1.00 0.47 N ATOM 195 CA THR A 13 -8.507 -8.005 0.400 1.00 0.51 C ATOM 196 C THR A 13 -8.580 -6.482 0.337 1.00 0.47 C ATOM 197 O THR A 13 -7.996 -5.789 1.176 1.00 0.46 O ATOM 198 CB THR A 13 -9.787 -8.558 1.044 1.00 0.62 C ATOM 199 OG1 THR A 13 -9.477 -9.101 2.340 1.00 0.77 O ATOM 200 CG2 THR A 13 -10.410 -9.638 0.170 1.00 0.86 C ATOM 0 H THR A 13 -7.474 -8.483 2.154 1.00 0.47 H new ATOM 0 HA THR A 13 -8.421 -8.393 -0.615 1.00 0.51 H new ATOM 0 HB THR A 13 -10.504 -7.744 1.148 1.00 0.62 H new ATOM 0 HG1 THR A 13 -10.294 -9.452 2.751 1.00 0.77 H new ATOM 0 HG21 THR A 13 -11.315 -10.015 0.647 1.00 0.86 H new ATOM 0 HG22 THR A 13 -10.661 -9.218 -0.804 1.00 0.86 H new ATOM 0 HG23 THR A 13 -9.701 -10.456 0.041 1.00 0.86 H new ATOM 208 N LEU A 14 -9.288 -5.970 -0.662 1.00 0.50 N ATOM 209 CA LEU A 14 -9.443 -4.530 -0.849 1.00 0.51 C ATOM 210 C LEU A 14 -10.062 -3.870 0.384 1.00 0.48 C ATOM 211 O LEU A 14 -9.627 -2.802 0.820 1.00 0.51 O ATOM 212 CB LEU A 14 -10.316 -4.262 -2.076 1.00 0.58 C ATOM 213 CG LEU A 14 -10.606 -2.787 -2.371 1.00 0.73 C ATOM 214 CD1 LEU A 14 -9.390 -2.112 -2.987 1.00 1.00 C ATOM 215 CD2 LEU A 14 -11.808 -2.659 -3.292 1.00 0.95 C ATOM 0 H LEU A 14 -9.769 -6.535 -1.362 1.00 0.50 H new ATOM 0 HA LEU A 14 -8.453 -4.098 -0.999 1.00 0.51 H new ATOM 0 HB2 LEU A 14 -9.830 -4.700 -2.948 1.00 0.58 H new ATOM 0 HB3 LEU A 14 -11.265 -4.782 -1.945 1.00 0.58 H new ATOM 0 HG LEU A 14 -10.833 -2.287 -1.430 1.00 0.73 H new ATOM 0 HD11 LEU A 14 -9.618 -1.065 -3.188 1.00 1.00 H new ATOM 0 HD12 LEU A 14 -8.550 -2.174 -2.295 1.00 1.00 H new ATOM 0 HD13 LEU A 14 -9.129 -2.613 -3.920 1.00 1.00 H new ATOM 0 HD21 LEU A 14 -12.002 -1.605 -3.493 1.00 0.95 H new ATOM 0 HD22 LEU A 14 -11.604 -3.176 -4.230 1.00 0.95 H new ATOM 0 HD23 LEU A 14 -12.681 -3.104 -2.815 1.00 0.95 H new ATOM 227 N GLU A 15 -11.067 -4.523 0.947 1.00 0.50 N ATOM 228 CA GLU A 15 -11.763 -4.015 2.126 1.00 0.53 C ATOM 229 C GLU A 15 -10.911 -4.150 3.392 1.00 0.51 C ATOM 230 O GLU A 15 -11.294 -3.671 4.457 1.00 0.61 O ATOM 231 CB GLU A 15 -13.095 -4.750 2.317 1.00 0.61 C ATOM 232 CG GLU A 15 -12.957 -6.263 2.398 1.00 0.67 C ATOM 233 CD GLU A 15 -13.107 -6.945 1.052 1.00 0.76 C ATOM 234 OE1 GLU A 15 -12.250 -6.733 0.169 1.00 0.83 O ATOM 235 OE2 GLU A 15 -14.073 -7.715 0.878 1.00 1.05 O ATOM 0 H GLU A 15 -11.424 -5.415 0.604 1.00 0.50 H new ATOM 0 HA GLU A 15 -11.953 -2.955 1.960 1.00 0.53 H new ATOM 0 HB2 GLU A 15 -13.571 -4.389 3.229 1.00 0.61 H new ATOM 0 HB3 GLU A 15 -13.759 -4.499 1.490 1.00 0.61 H new ATOM 0 HG2 GLU A 15 -11.982 -6.511 2.818 1.00 0.67 H new ATOM 0 HG3 GLU A 15 -13.709 -6.655 3.083 1.00 0.67 H new ATOM 242 N GLU A 16 -9.760 -4.800 3.276 1.00 0.46 N ATOM 243 CA GLU A 16 -8.878 -4.981 4.417 1.00 0.50 C ATOM 244 C GLU A 16 -7.773 -3.932 4.412 1.00 0.46 C ATOM 245 O GLU A 16 -7.492 -3.308 5.434 1.00 0.51 O ATOM 246 CB GLU A 16 -8.277 -6.389 4.407 1.00 0.58 C ATOM 247 CG GLU A 16 -7.362 -6.673 5.588 1.00 1.05 C ATOM 248 CD GLU A 16 -8.042 -6.462 6.928 1.00 1.60 C ATOM 249 OE1 GLU A 16 -9.245 -6.775 7.047 1.00 2.19 O ATOM 250 OE2 GLU A 16 -7.368 -5.990 7.871 1.00 2.32 O ATOM 0 H GLU A 16 -9.418 -5.208 2.406 1.00 0.46 H new ATOM 0 HA GLU A 16 -9.464 -4.859 5.328 1.00 0.50 H new ATOM 0 HB2 GLU A 16 -9.086 -7.119 4.402 1.00 0.58 H new ATOM 0 HB3 GLU A 16 -7.716 -6.528 3.483 1.00 0.58 H new ATOM 0 HG2 GLU A 16 -7.005 -7.701 5.525 1.00 1.05 H new ATOM 0 HG3 GLU A 16 -6.486 -6.027 5.526 1.00 1.05 H new ATOM 257 N ILE A 17 -7.170 -3.715 3.252 1.00 0.42 N ATOM 258 CA ILE A 17 -6.086 -2.745 3.131 1.00 0.44 C ATOM 259 C ILE A 17 -6.578 -1.310 3.315 1.00 0.43 C ATOM 260 O ILE A 17 -5.849 -0.463 3.821 1.00 0.48 O ATOM 261 CB ILE A 17 -5.337 -2.875 1.780 1.00 0.50 C ATOM 262 CG1 ILE A 17 -6.315 -2.939 0.604 1.00 0.52 C ATOM 263 CG2 ILE A 17 -4.444 -4.108 1.784 1.00 0.58 C ATOM 264 CD1 ILE A 17 -6.627 -1.589 -0.004 1.00 0.98 C ATOM 0 H ILE A 17 -7.410 -4.194 2.384 1.00 0.42 H new ATOM 0 HA ILE A 17 -5.387 -2.974 3.935 1.00 0.44 H new ATOM 0 HB ILE A 17 -4.717 -1.987 1.657 1.00 0.50 H new ATOM 0 HG12 ILE A 17 -5.899 -3.587 -0.167 1.00 0.52 H new ATOM 0 HG13 ILE A 17 -7.244 -3.399 0.941 1.00 0.52 H new ATOM 0 HG21 ILE A 17 -3.925 -4.185 0.828 1.00 0.58 H new ATOM 0 HG22 ILE A 17 -3.713 -4.025 2.588 1.00 0.58 H new ATOM 0 HG23 ILE A 17 -5.054 -4.998 1.938 1.00 0.58 H new ATOM 0 HD11 ILE A 17 -7.326 -1.715 -0.831 1.00 0.98 H new ATOM 0 HD12 ILE A 17 -7.073 -0.943 0.753 1.00 0.98 H new ATOM 0 HD13 ILE A 17 -5.707 -1.135 -0.372 1.00 0.98 H new ATOM 276 N LYS A 18 -7.825 -1.045 2.929 1.00 0.42 N ATOM 277 CA LYS A 18 -8.387 0.299 3.057 1.00 0.48 C ATOM 278 C LYS A 18 -8.966 0.528 4.451 1.00 0.50 C ATOM 279 O LYS A 18 -9.562 1.568 4.722 1.00 0.63 O ATOM 280 CB LYS A 18 -9.467 0.549 1.997 1.00 0.56 C ATOM 281 CG LYS A 18 -10.764 -0.211 2.237 1.00 0.53 C ATOM 282 CD LYS A 18 -11.982 0.624 1.857 1.00 0.87 C ATOM 283 CE LYS A 18 -11.981 0.997 0.381 1.00 1.05 C ATOM 284 NZ LYS A 18 -13.163 1.824 0.012 1.00 1.48 N ATOM 0 H LYS A 18 -8.460 -1.735 2.529 1.00 0.42 H new ATOM 0 HA LYS A 18 -7.572 1.006 2.900 1.00 0.48 H new ATOM 0 HB2 LYS A 18 -9.686 1.616 1.962 1.00 0.56 H new ATOM 0 HB3 LYS A 18 -9.072 0.272 1.020 1.00 0.56 H new ATOM 0 HG2 LYS A 18 -10.759 -1.133 1.656 1.00 0.53 H new ATOM 0 HG3 LYS A 18 -10.831 -0.496 3.287 1.00 0.53 H new ATOM 0 HD2 LYS A 18 -12.890 0.067 2.089 1.00 0.87 H new ATOM 0 HD3 LYS A 18 -12.002 1.532 2.460 1.00 0.87 H new ATOM 0 HE2 LYS A 18 -11.068 1.545 0.146 1.00 1.05 H new ATOM 0 HE3 LYS A 18 -11.972 0.089 -0.222 1.00 1.05 H new ATOM 0 HZ1 LYS A 18 -13.122 2.055 -1.001 1.00 1.48 H new ATOM 0 HZ2 LYS A 18 -14.034 1.292 0.211 1.00 1.48 H new ATOM 0 HZ3 LYS A 18 -13.159 2.703 0.568 1.00 1.48 H new ATOM 298 N LYS A 19 -8.810 -0.457 5.319 1.00 0.47 N ATOM 299 CA LYS A 19 -9.308 -0.356 6.683 1.00 0.53 C ATOM 300 C LYS A 19 -8.161 -0.529 7.667 1.00 0.54 C ATOM 301 O LYS A 19 -8.280 -0.217 8.854 1.00 0.67 O ATOM 302 CB LYS A 19 -10.381 -1.417 6.933 1.00 0.60 C ATOM 303 CG LYS A 19 -11.680 -0.858 7.490 1.00 0.84 C ATOM 304 CD LYS A 19 -12.366 0.067 6.496 1.00 1.09 C ATOM 305 CE LYS A 19 -13.817 -0.334 6.276 1.00 1.31 C ATOM 306 NZ LYS A 19 -14.608 -0.281 7.535 1.00 1.68 N ATOM 0 H LYS A 19 -8.342 -1.338 5.104 1.00 0.47 H new ATOM 0 HA LYS A 19 -9.752 0.629 6.825 1.00 0.53 H new ATOM 0 HB2 LYS A 19 -10.591 -1.935 5.997 1.00 0.60 H new ATOM 0 HB3 LYS A 19 -9.989 -2.160 7.628 1.00 0.60 H new ATOM 0 HG2 LYS A 19 -12.350 -1.679 7.745 1.00 0.84 H new ATOM 0 HG3 LYS A 19 -11.476 -0.314 8.413 1.00 0.84 H new ATOM 0 HD2 LYS A 19 -12.322 1.093 6.861 1.00 1.09 H new ATOM 0 HD3 LYS A 19 -11.832 0.043 5.546 1.00 1.09 H new ATOM 0 HE2 LYS A 19 -14.268 0.328 5.537 1.00 1.31 H new ATOM 0 HE3 LYS A 19 -13.856 -1.343 5.866 1.00 1.31 H new ATOM 0 HZ1 LYS A 19 -15.622 -0.241 7.307 1.00 1.68 H new ATOM 0 HZ2 LYS A 19 -14.414 -1.130 8.103 1.00 1.68 H new ATOM 0 HZ3 LYS A 19 -14.342 0.566 8.077 1.00 1.68 H new ATOM 320 N HIS A 20 -7.046 -1.027 7.153 1.00 0.55 N ATOM 321 CA HIS A 20 -5.858 -1.256 7.961 1.00 0.59 C ATOM 322 C HIS A 20 -4.923 -0.059 7.878 1.00 0.58 C ATOM 323 O HIS A 20 -3.876 -0.032 8.521 1.00 0.66 O ATOM 324 CB HIS A 20 -5.138 -2.515 7.475 1.00 0.68 C ATOM 325 CG HIS A 20 -4.694 -3.425 8.576 1.00 0.74 C ATOM 326 ND1 HIS A 20 -5.253 -4.667 8.797 1.00 0.90 N ATOM 327 CD2 HIS A 20 -3.727 -3.281 9.515 1.00 0.98 C ATOM 328 CE1 HIS A 20 -4.649 -5.245 9.817 1.00 1.07 C ATOM 329 NE2 HIS A 20 -3.722 -4.427 10.269 1.00 1.13 N ATOM 0 H HIS A 20 -6.940 -1.282 6.171 1.00 0.55 H new ATOM 0 HA HIS A 20 -6.159 -1.392 9.000 1.00 0.59 H new ATOM 0 HB2 HIS A 20 -5.801 -3.066 6.808 1.00 0.68 H new ATOM 0 HB3 HIS A 20 -4.268 -2.220 6.888 1.00 0.68 H new ATOM 0 HD1 HIS A 20 -6.015 -5.075 8.255 1.00 0.90 H new ATOM 0 HD2 HIS A 20 -3.082 -2.425 9.645 1.00 0.98 H new ATOM 0 HE1 HIS A 20 -4.876 -6.223 10.214 1.00 1.07 H new ATOM 338 N ASN A 21 -5.327 0.935 7.099 1.00 0.58 N ATOM 339 CA ASN A 21 -4.542 2.149 6.893 1.00 0.61 C ATOM 340 C ASN A 21 -4.545 3.039 8.133 1.00 0.60 C ATOM 341 O ASN A 21 -5.278 4.022 8.219 1.00 0.75 O ATOM 342 CB ASN A 21 -5.068 2.924 5.673 1.00 0.72 C ATOM 343 CG ASN A 21 -6.558 3.244 5.742 1.00 0.74 C ATOM 344 OD1 ASN A 21 -7.318 2.606 6.470 1.00 0.96 O ATOM 345 ND2 ASN A 21 -6.985 4.225 4.963 1.00 0.88 N ATOM 0 H ASN A 21 -6.211 0.924 6.590 1.00 0.58 H new ATOM 0 HA ASN A 21 -3.511 1.850 6.705 1.00 0.61 H new ATOM 0 HB2 ASN A 21 -4.510 3.855 5.578 1.00 0.72 H new ATOM 0 HB3 ASN A 21 -4.872 2.342 4.773 1.00 0.72 H new ATOM 0 HD21 ASN A 21 -7.974 4.474 4.953 1.00 0.88 H new ATOM 0 HD22 ASN A 21 -6.325 4.732 4.373 1.00 0.88 H new ATOM 352 N HIS A 22 -3.716 2.684 9.099 1.00 0.64 N ATOM 353 CA HIS A 22 -3.625 3.439 10.342 1.00 0.76 C ATOM 354 C HIS A 22 -2.269 4.126 10.439 1.00 0.88 C ATOM 355 O HIS A 22 -1.398 3.905 9.596 1.00 1.61 O ATOM 356 CB HIS A 22 -3.841 2.514 11.546 1.00 0.83 C ATOM 357 CG HIS A 22 -5.179 1.827 11.554 1.00 0.87 C ATOM 358 ND1 HIS A 22 -5.468 0.754 12.365 1.00 1.32 N ATOM 359 CD2 HIS A 22 -6.301 2.048 10.819 1.00 1.17 C ATOM 360 CE1 HIS A 22 -6.701 0.343 12.127 1.00 1.29 C ATOM 361 NE2 HIS A 22 -7.230 1.110 11.192 1.00 1.09 N ATOM 0 H HIS A 22 -3.094 1.877 9.049 1.00 0.64 H new ATOM 0 HA HIS A 22 -4.405 4.200 10.347 1.00 0.76 H new ATOM 0 HB2 HIS A 22 -3.055 1.758 11.557 1.00 0.83 H new ATOM 0 HB3 HIS A 22 -3.737 3.096 12.462 1.00 0.83 H new ATOM 0 HD2 HIS A 22 -6.436 2.821 10.077 1.00 1.17 H new ATOM 0 HE1 HIS A 22 -7.194 -0.484 12.616 1.00 1.29 H new ATOM 0 HE2 HIS A 22 -8.172 1.020 10.811 1.00 1.09 H new ATOM 370 N SER A 23 -2.090 4.948 11.466 1.00 0.60 N ATOM 371 CA SER A 23 -0.837 5.664 11.671 1.00 0.62 C ATOM 372 C SER A 23 0.330 4.690 11.817 1.00 0.52 C ATOM 373 O SER A 23 1.394 4.882 11.231 1.00 0.62 O ATOM 374 CB SER A 23 -0.948 6.549 12.915 1.00 0.84 C ATOM 375 OG SER A 23 -2.292 6.610 13.376 1.00 1.32 O ATOM 0 H SER A 23 -2.801 5.136 12.173 1.00 0.60 H new ATOM 0 HA SER A 23 -0.646 6.290 10.799 1.00 0.62 H new ATOM 0 HB2 SER A 23 -0.306 6.157 13.704 1.00 0.84 H new ATOM 0 HB3 SER A 23 -0.592 7.553 12.685 1.00 0.84 H new ATOM 0 HG SER A 23 -2.339 7.179 14.172 1.00 1.32 H new ATOM 381 N LYS A 24 0.117 3.630 12.586 1.00 0.51 N ATOM 382 CA LYS A 24 1.150 2.625 12.801 1.00 0.51 C ATOM 383 C LYS A 24 0.916 1.405 11.910 1.00 0.44 C ATOM 384 O LYS A 24 1.344 0.296 12.232 1.00 0.45 O ATOM 385 CB LYS A 24 1.208 2.203 14.275 1.00 0.71 C ATOM 386 CG LYS A 24 -0.141 2.201 14.974 1.00 0.97 C ATOM 387 CD LYS A 24 -0.079 1.424 16.280 1.00 1.41 C ATOM 388 CE LYS A 24 -1.140 1.892 17.262 1.00 1.88 C ATOM 389 NZ LYS A 24 -0.721 3.125 17.978 1.00 2.36 N ATOM 0 H LYS A 24 -0.761 3.444 13.071 1.00 0.51 H new ATOM 0 HA LYS A 24 2.108 3.071 12.533 1.00 0.51 H new ATOM 0 HB2 LYS A 24 1.640 1.204 14.339 1.00 0.71 H new ATOM 0 HB3 LYS A 24 1.880 2.875 14.808 1.00 0.71 H new ATOM 0 HG2 LYS A 24 -0.453 3.226 15.172 1.00 0.97 H new ATOM 0 HG3 LYS A 24 -0.893 1.759 14.320 1.00 0.97 H new ATOM 0 HD2 LYS A 24 -0.213 0.361 16.078 1.00 1.41 H new ATOM 0 HD3 LYS A 24 0.908 1.541 16.727 1.00 1.41 H new ATOM 0 HE2 LYS A 24 -2.072 2.080 16.729 1.00 1.88 H new ATOM 0 HE3 LYS A 24 -1.340 1.102 17.985 1.00 1.88 H new ATOM 0 HZ1 LYS A 24 -1.470 3.414 18.639 1.00 2.36 H new ATOM 0 HZ2 LYS A 24 0.155 2.939 18.507 1.00 2.36 H new ATOM 0 HZ3 LYS A 24 -0.554 3.886 17.290 1.00 2.36 H new ATOM 403 N SER A 25 0.235 1.621 10.788 1.00 0.43 N ATOM 404 CA SER A 25 -0.063 0.558 9.833 1.00 0.42 C ATOM 405 C SER A 25 -0.341 1.158 8.458 1.00 0.42 C ATOM 406 O SER A 25 -1.306 0.799 7.788 1.00 0.50 O ATOM 407 CB SER A 25 -1.270 -0.265 10.297 1.00 0.48 C ATOM 408 OG SER A 25 -1.059 -0.797 11.593 1.00 0.83 O ATOM 0 H SER A 25 -0.125 2.536 10.516 1.00 0.43 H new ATOM 0 HA SER A 25 0.802 -0.102 9.770 1.00 0.42 H new ATOM 0 HB2 SER A 25 -2.162 0.362 10.299 1.00 0.48 H new ATOM 0 HB3 SER A 25 -1.452 -1.077 9.593 1.00 0.48 H new ATOM 0 HG SER A 25 -1.844 -1.316 11.865 1.00 0.83 H new ATOM 414 N THR A 26 0.505 2.094 8.055 1.00 0.42 N ATOM 415 CA THR A 26 0.354 2.756 6.771 1.00 0.43 C ATOM 416 C THR A 26 0.747 1.836 5.617 1.00 0.36 C ATOM 417 O THR A 26 1.923 1.513 5.431 1.00 0.41 O ATOM 418 CB THR A 26 1.205 4.031 6.726 1.00 0.51 C ATOM 419 OG1 THR A 26 1.379 4.527 8.060 1.00 0.64 O ATOM 420 CG2 THR A 26 0.544 5.096 5.864 1.00 0.56 C ATOM 0 H THR A 26 1.305 2.412 8.602 1.00 0.42 H new ATOM 0 HA THR A 26 -0.698 3.016 6.657 1.00 0.43 H new ATOM 0 HB THR A 26 2.174 3.792 6.287 1.00 0.51 H new ATOM 0 HG1 THR A 26 0.653 5.150 8.275 1.00 0.64 H new ATOM 0 HG21 THR A 26 1.167 5.990 5.848 1.00 0.56 H new ATOM 0 HG22 THR A 26 0.424 4.719 4.848 1.00 0.56 H new ATOM 0 HG23 THR A 26 -0.434 5.343 6.277 1.00 0.56 H new ATOM 428 N TRP A 27 -0.251 1.410 4.853 1.00 0.35 N ATOM 429 CA TRP A 27 -0.028 0.531 3.714 1.00 0.33 C ATOM 430 C TRP A 27 -0.407 1.234 2.417 1.00 0.32 C ATOM 431 O TRP A 27 -1.287 2.099 2.404 1.00 0.36 O ATOM 432 CB TRP A 27 -0.853 -0.750 3.855 1.00 0.38 C ATOM 433 CG TRP A 27 -0.286 -1.741 4.828 1.00 0.40 C ATOM 434 CD1 TRP A 27 0.916 -1.672 5.473 1.00 0.43 C ATOM 435 CD2 TRP A 27 -0.904 -2.959 5.257 1.00 0.48 C ATOM 436 NE1 TRP A 27 1.080 -2.768 6.282 1.00 0.48 N ATOM 437 CE2 TRP A 27 -0.023 -3.577 6.163 1.00 0.52 C ATOM 438 CE3 TRP A 27 -2.119 -3.587 4.961 1.00 0.56 C ATOM 439 CZ2 TRP A 27 -0.320 -4.793 6.778 1.00 0.63 C ATOM 440 CZ3 TRP A 27 -2.412 -4.793 5.571 1.00 0.68 C ATOM 441 CH2 TRP A 27 -1.517 -5.384 6.468 1.00 0.71 C ATOM 0 H TRP A 27 -1.228 1.661 5.004 1.00 0.35 H new ATOM 0 HA TRP A 27 1.031 0.274 3.688 1.00 0.33 H new ATOM 0 HB2 TRP A 27 -1.863 -0.486 4.169 1.00 0.38 H new ATOM 0 HB3 TRP A 27 -0.937 -1.225 2.877 1.00 0.38 H new ATOM 0 HD1 TRP A 27 1.633 -0.872 5.362 1.00 0.43 H new ATOM 0 HE1 TRP A 27 1.889 -2.952 6.875 1.00 0.48 H new ATOM 0 HE3 TRP A 27 -2.815 -3.138 4.268 1.00 0.56 H new ATOM 0 HZ2 TRP A 27 0.368 -5.252 7.473 1.00 0.63 H new ATOM 0 HZ3 TRP A 27 -3.347 -5.286 5.351 1.00 0.68 H new ATOM 0 HH2 TRP A 27 -1.775 -6.327 6.927 1.00 0.71 H new ATOM 452 N LEU A 28 0.258 0.866 1.336 1.00 0.32 N ATOM 453 CA LEU A 28 -0.009 1.452 0.033 1.00 0.33 C ATOM 454 C LEU A 28 0.083 0.386 -1.046 1.00 0.32 C ATOM 455 O LEU A 28 0.915 -0.521 -0.959 1.00 0.32 O ATOM 456 CB LEU A 28 0.987 2.573 -0.258 1.00 0.36 C ATOM 457 CG LEU A 28 0.370 3.958 -0.456 1.00 0.56 C ATOM 458 CD1 LEU A 28 1.359 5.044 -0.077 1.00 0.85 C ATOM 459 CD2 LEU A 28 -0.075 4.137 -1.894 1.00 0.99 C ATOM 0 H LEU A 28 0.993 0.158 1.335 1.00 0.32 H new ATOM 0 HA LEU A 28 -1.016 1.869 0.038 1.00 0.33 H new ATOM 0 HB2 LEU A 28 1.701 2.625 0.564 1.00 0.36 H new ATOM 0 HB3 LEU A 28 1.551 2.313 -1.154 1.00 0.36 H new ATOM 0 HG LEU A 28 -0.501 4.040 0.195 1.00 0.56 H new ATOM 0 HD11 LEU A 28 0.900 6.022 -0.225 1.00 0.85 H new ATOM 0 HD12 LEU A 28 1.641 4.930 0.970 1.00 0.85 H new ATOM 0 HD13 LEU A 28 2.248 4.961 -0.703 1.00 0.85 H new ATOM 0 HD21 LEU A 28 -0.512 5.128 -2.019 1.00 0.99 H new ATOM 0 HD22 LEU A 28 0.784 4.033 -2.556 1.00 0.99 H new ATOM 0 HD23 LEU A 28 -0.818 3.379 -2.142 1.00 0.99 H new ATOM 471 N ILE A 29 -0.777 0.485 -2.049 1.00 0.35 N ATOM 472 CA ILE A 29 -0.775 -0.472 -3.138 1.00 0.36 C ATOM 473 C ILE A 29 -0.022 0.090 -4.332 1.00 0.36 C ATOM 474 O ILE A 29 -0.380 1.139 -4.868 1.00 0.39 O ATOM 475 CB ILE A 29 -2.199 -0.855 -3.585 1.00 0.42 C ATOM 476 CG1 ILE A 29 -3.086 -1.171 -2.382 1.00 0.50 C ATOM 477 CG2 ILE A 29 -2.144 -2.051 -4.524 1.00 0.44 C ATOM 478 CD1 ILE A 29 -4.533 -1.395 -2.757 1.00 0.80 C ATOM 0 H ILE A 29 -1.482 1.218 -2.129 1.00 0.35 H new ATOM 0 HA ILE A 29 -0.281 -1.369 -2.765 1.00 0.36 H new ATOM 0 HB ILE A 29 -2.633 -0.005 -4.111 1.00 0.42 H new ATOM 0 HG12 ILE A 29 -2.705 -2.060 -1.880 1.00 0.50 H new ATOM 0 HG13 ILE A 29 -3.025 -0.351 -1.667 1.00 0.50 H new ATOM 0 HG21 ILE A 29 -3.154 -2.316 -4.836 1.00 0.44 H new ATOM 0 HG22 ILE A 29 -1.548 -1.798 -5.401 1.00 0.44 H new ATOM 0 HG23 ILE A 29 -1.690 -2.897 -4.009 1.00 0.44 H new ATOM 0 HD11 ILE A 29 -5.111 -1.615 -1.860 1.00 0.80 H new ATOM 0 HD12 ILE A 29 -4.929 -0.498 -3.233 1.00 0.80 H new ATOM 0 HD13 ILE A 29 -4.604 -2.234 -3.449 1.00 0.80 H new ATOM 490 N LEU A 30 1.034 -0.603 -4.721 1.00 0.34 N ATOM 491 CA LEU A 30 1.844 -0.206 -5.859 1.00 0.37 C ATOM 492 C LEU A 30 2.022 -1.401 -6.777 1.00 0.38 C ATOM 493 O LEU A 30 2.629 -2.399 -6.390 1.00 0.38 O ATOM 494 CB LEU A 30 3.210 0.314 -5.406 1.00 0.38 C ATOM 495 CG LEU A 30 3.177 1.543 -4.496 1.00 0.40 C ATOM 496 CD1 LEU A 30 4.562 1.823 -3.943 1.00 0.44 C ATOM 497 CD2 LEU A 30 2.650 2.755 -5.249 1.00 0.48 C ATOM 0 H LEU A 30 1.353 -1.454 -4.258 1.00 0.34 H new ATOM 0 HA LEU A 30 1.338 0.601 -6.390 1.00 0.37 H new ATOM 0 HB2 LEU A 30 3.730 -0.489 -4.884 1.00 0.38 H new ATOM 0 HB3 LEU A 30 3.800 0.554 -6.291 1.00 0.38 H new ATOM 0 HG LEU A 30 2.503 1.339 -3.664 1.00 0.40 H new ATOM 0 HD11 LEU A 30 4.525 2.700 -3.297 1.00 0.44 H new ATOM 0 HD12 LEU A 30 4.905 0.963 -3.368 1.00 0.44 H new ATOM 0 HD13 LEU A 30 5.252 2.008 -4.766 1.00 0.44 H new ATOM 0 HD21 LEU A 30 2.635 3.618 -4.584 1.00 0.48 H new ATOM 0 HD22 LEU A 30 3.298 2.964 -6.100 1.00 0.48 H new ATOM 0 HD23 LEU A 30 1.639 2.552 -5.603 1.00 0.48 H new ATOM 509 N HIS A 31 1.466 -1.306 -7.981 1.00 0.41 N ATOM 510 CA HIS A 31 1.538 -2.389 -8.964 1.00 0.43 C ATOM 511 C HIS A 31 0.745 -3.594 -8.467 1.00 0.42 C ATOM 512 O HIS A 31 1.112 -4.739 -8.725 1.00 0.45 O ATOM 513 CB HIS A 31 2.992 -2.799 -9.255 1.00 0.47 C ATOM 514 CG HIS A 31 3.684 -1.936 -10.265 1.00 0.66 C ATOM 515 ND1 HIS A 31 3.878 -2.312 -11.579 1.00 1.11 N ATOM 516 CD2 HIS A 31 4.253 -0.714 -10.141 1.00 1.10 C ATOM 517 CE1 HIS A 31 4.535 -1.362 -12.215 1.00 1.22 C ATOM 518 NE2 HIS A 31 4.774 -0.382 -11.365 1.00 1.18 N ATOM 0 H HIS A 31 0.956 -0.484 -8.304 1.00 0.41 H new ATOM 0 HA HIS A 31 1.104 -2.024 -9.895 1.00 0.43 H new ATOM 0 HB2 HIS A 31 3.558 -2.774 -8.324 1.00 0.47 H new ATOM 0 HB3 HIS A 31 3.003 -3.831 -9.607 1.00 0.47 H new ATOM 0 HD2 HIS A 31 4.290 -0.113 -9.245 1.00 1.10 H new ATOM 0 HE1 HIS A 31 4.828 -1.383 -13.254 1.00 1.22 H new ATOM 0 HE2 HIS A 31 5.267 0.484 -11.583 1.00 1.18 H new ATOM 527 N HIS A 32 -0.341 -3.304 -7.741 1.00 0.42 N ATOM 528 CA HIS A 32 -1.227 -4.327 -7.173 1.00 0.44 C ATOM 529 C HIS A 32 -0.549 -5.089 -6.032 1.00 0.40 C ATOM 530 O HIS A 32 -0.998 -6.163 -5.629 1.00 0.44 O ATOM 531 CB HIS A 32 -1.727 -5.293 -8.258 1.00 0.52 C ATOM 532 CG HIS A 32 -2.627 -4.632 -9.257 1.00 0.68 C ATOM 533 ND1 HIS A 32 -2.402 -4.658 -10.617 1.00 1.01 N ATOM 534 CD2 HIS A 32 -3.755 -3.907 -9.083 1.00 0.85 C ATOM 535 CE1 HIS A 32 -3.352 -3.977 -11.231 1.00 1.09 C ATOM 536 NE2 HIS A 32 -4.187 -3.509 -10.323 1.00 0.97 N ATOM 0 H HIS A 32 -0.631 -2.349 -7.530 1.00 0.42 H new ATOM 0 HA HIS A 32 -2.092 -3.812 -6.756 1.00 0.44 H new ATOM 0 HB2 HIS A 32 -0.871 -5.723 -8.777 1.00 0.52 H new ATOM 0 HB3 HIS A 32 -2.261 -6.118 -7.785 1.00 0.52 H new ATOM 0 HD2 HIS A 32 -4.230 -3.682 -8.139 1.00 0.85 H new ATOM 0 HE1 HIS A 32 -3.432 -3.828 -12.298 1.00 1.09 H new ATOM 0 HE2 HIS A 32 -5.016 -2.945 -10.511 1.00 0.97 H new ATOM 545 N LYS A 33 0.522 -4.507 -5.506 1.00 0.37 N ATOM 546 CA LYS A 33 1.267 -5.101 -4.402 1.00 0.37 C ATOM 547 C LYS A 33 1.108 -4.245 -3.152 1.00 0.33 C ATOM 548 O LYS A 33 1.015 -3.021 -3.245 1.00 0.36 O ATOM 549 CB LYS A 33 2.748 -5.214 -4.762 1.00 0.40 C ATOM 550 CG LYS A 33 3.027 -6.113 -5.954 1.00 0.57 C ATOM 551 CD LYS A 33 4.502 -6.087 -6.326 1.00 0.79 C ATOM 552 CE LYS A 33 4.838 -7.132 -7.374 1.00 0.94 C ATOM 553 NZ LYS A 33 4.781 -8.511 -6.829 1.00 1.02 N ATOM 0 H LYS A 33 0.897 -3.615 -5.830 1.00 0.37 H new ATOM 0 HA LYS A 33 0.873 -6.099 -4.210 1.00 0.37 H new ATOM 0 HB2 LYS A 33 3.137 -4.218 -4.972 1.00 0.40 H new ATOM 0 HB3 LYS A 33 3.293 -5.594 -3.898 1.00 0.40 H new ATOM 0 HG2 LYS A 33 2.725 -7.134 -5.722 1.00 0.57 H new ATOM 0 HG3 LYS A 33 2.428 -5.790 -6.805 1.00 0.57 H new ATOM 0 HD2 LYS A 33 4.765 -5.098 -6.702 1.00 0.79 H new ATOM 0 HD3 LYS A 33 5.105 -6.260 -5.434 1.00 0.79 H new ATOM 0 HE2 LYS A 33 4.142 -7.044 -8.208 1.00 0.94 H new ATOM 0 HE3 LYS A 33 5.836 -6.940 -7.769 1.00 0.94 H new ATOM 0 HZ1 LYS A 33 5.548 -9.079 -7.242 1.00 1.02 H new ATOM 0 HZ2 LYS A 33 4.891 -8.481 -5.795 1.00 1.02 H new ATOM 0 HZ3 LYS A 33 3.864 -8.941 -7.067 1.00 1.02 H new ATOM 567 N VAL A 34 1.084 -4.882 -1.989 1.00 0.30 N ATOM 568 CA VAL A 34 0.932 -4.166 -0.730 1.00 0.30 C ATOM 569 C VAL A 34 2.290 -3.896 -0.093 1.00 0.27 C ATOM 570 O VAL A 34 3.025 -4.824 0.256 1.00 0.28 O ATOM 571 CB VAL A 34 0.048 -4.942 0.275 1.00 0.32 C ATOM 572 CG1 VAL A 34 -0.355 -4.043 1.435 1.00 0.36 C ATOM 573 CG2 VAL A 34 -1.182 -5.515 -0.411 1.00 0.35 C ATOM 0 H VAL A 34 1.168 -5.894 -1.891 1.00 0.30 H new ATOM 0 HA VAL A 34 0.441 -3.222 -0.965 1.00 0.30 H new ATOM 0 HB VAL A 34 0.632 -5.774 0.669 1.00 0.32 H new ATOM 0 HG11 VAL A 34 -0.976 -4.605 2.132 1.00 0.36 H new ATOM 0 HG12 VAL A 34 0.539 -3.690 1.949 1.00 0.36 H new ATOM 0 HG13 VAL A 34 -0.917 -3.189 1.056 1.00 0.36 H new ATOM 0 HG21 VAL A 34 -1.786 -6.056 0.318 1.00 0.35 H new ATOM 0 HG22 VAL A 34 -1.770 -4.704 -0.840 1.00 0.35 H new ATOM 0 HG23 VAL A 34 -0.872 -6.197 -1.203 1.00 0.35 H new ATOM 583 N TYR A 35 2.622 -2.622 0.052 1.00 0.28 N ATOM 584 CA TYR A 35 3.891 -2.228 0.643 1.00 0.28 C ATOM 585 C TYR A 35 3.676 -1.502 1.966 1.00 0.30 C ATOM 586 O TYR A 35 2.747 -0.700 2.099 1.00 0.32 O ATOM 587 CB TYR A 35 4.673 -1.332 -0.316 1.00 0.31 C ATOM 588 CG TYR A 35 5.222 -2.068 -1.521 1.00 0.31 C ATOM 589 CD1 TYR A 35 6.354 -2.865 -1.411 1.00 0.35 C ATOM 590 CD2 TYR A 35 4.609 -1.966 -2.764 1.00 0.43 C ATOM 591 CE1 TYR A 35 6.858 -3.540 -2.504 1.00 0.40 C ATOM 592 CE2 TYR A 35 5.108 -2.639 -3.862 1.00 0.47 C ATOM 593 CZ TYR A 35 6.234 -3.424 -3.726 1.00 0.41 C ATOM 594 OH TYR A 35 6.736 -4.095 -4.816 1.00 0.48 O ATOM 0 H TYR A 35 2.029 -1.842 -0.232 1.00 0.28 H new ATOM 0 HA TYR A 35 4.465 -3.135 0.833 1.00 0.28 H new ATOM 0 HB2 TYR A 35 4.024 -0.526 -0.658 1.00 0.31 H new ATOM 0 HB3 TYR A 35 5.499 -0.869 0.224 1.00 0.31 H new ATOM 0 HD1 TYR A 35 6.848 -2.958 -0.455 1.00 0.35 H new ATOM 0 HD2 TYR A 35 3.728 -1.351 -2.873 1.00 0.43 H new ATOM 0 HE1 TYR A 35 7.739 -4.157 -2.401 1.00 0.40 H new ATOM 0 HE2 TYR A 35 4.620 -2.551 -4.821 1.00 0.47 H new ATOM 0 HH TYR A 35 7.175 -4.919 -4.519 1.00 0.48 H new ATOM 604 N ASP A 36 4.532 -1.798 2.935 1.00 0.32 N ATOM 605 CA ASP A 36 4.461 -1.173 4.252 1.00 0.36 C ATOM 606 C ASP A 36 5.347 0.062 4.303 1.00 0.38 C ATOM 607 O ASP A 36 6.531 0.004 3.973 1.00 0.50 O ATOM 608 CB ASP A 36 4.885 -2.162 5.349 1.00 0.43 C ATOM 609 CG ASP A 36 5.198 -1.475 6.671 1.00 0.57 C ATOM 610 OD1 ASP A 36 4.391 -0.633 7.118 1.00 0.90 O ATOM 611 OD2 ASP A 36 6.251 -1.781 7.275 1.00 1.28 O ATOM 0 H ASP A 36 5.290 -2.473 2.833 1.00 0.32 H new ATOM 0 HA ASP A 36 3.427 -0.877 4.429 1.00 0.36 H new ATOM 0 HB2 ASP A 36 4.089 -2.891 5.503 1.00 0.43 H new ATOM 0 HB3 ASP A 36 5.763 -2.715 5.015 1.00 0.43 H new ATOM 616 N LEU A 37 4.770 1.177 4.716 1.00 0.37 N ATOM 617 CA LEU A 37 5.507 2.427 4.809 1.00 0.43 C ATOM 618 C LEU A 37 5.141 3.163 6.089 1.00 0.37 C ATOM 619 O LEU A 37 5.304 4.382 6.185 1.00 0.40 O ATOM 620 CB LEU A 37 5.210 3.318 3.599 1.00 0.56 C ATOM 621 CG LEU A 37 3.762 3.810 3.496 1.00 0.66 C ATOM 622 CD1 LEU A 37 3.714 5.225 2.941 1.00 0.86 C ATOM 623 CD2 LEU A 37 2.943 2.872 2.626 1.00 0.80 C ATOM 0 H LEU A 37 3.791 1.243 4.993 1.00 0.37 H new ATOM 0 HA LEU A 37 6.572 2.194 4.823 1.00 0.43 H new ATOM 0 HB2 LEU A 37 5.870 4.184 3.634 1.00 0.56 H new ATOM 0 HB3 LEU A 37 5.456 2.766 2.692 1.00 0.56 H new ATOM 0 HG LEU A 37 3.332 3.819 4.497 1.00 0.66 H new ATOM 0 HD11 LEU A 37 2.677 5.555 2.876 1.00 0.86 H new ATOM 0 HD12 LEU A 37 4.267 5.894 3.601 1.00 0.86 H new ATOM 0 HD13 LEU A 37 4.163 5.242 1.948 1.00 0.86 H new ATOM 0 HD21 LEU A 37 1.918 3.236 2.564 1.00 0.80 H new ATOM 0 HD22 LEU A 37 3.376 2.832 1.626 1.00 0.80 H new ATOM 0 HD23 LEU A 37 2.947 1.873 3.063 1.00 0.80 H new ATOM 635 N THR A 38 4.672 2.417 7.082 1.00 0.34 N ATOM 636 CA THR A 38 4.270 3.006 8.351 1.00 0.36 C ATOM 637 C THR A 38 5.433 3.726 9.038 1.00 0.38 C ATOM 638 O THR A 38 5.234 4.725 9.726 1.00 0.44 O ATOM 639 CB THR A 38 3.665 1.952 9.305 1.00 0.41 C ATOM 640 OG1 THR A 38 3.108 2.604 10.447 1.00 0.48 O ATOM 641 CG2 THR A 38 4.702 0.936 9.765 1.00 0.48 C ATOM 0 H THR A 38 4.561 1.404 7.032 1.00 0.34 H new ATOM 0 HA THR A 38 3.500 3.742 8.119 1.00 0.36 H new ATOM 0 HB THR A 38 2.891 1.417 8.756 1.00 0.41 H new ATOM 0 HG1 THR A 38 2.586 3.381 10.158 1.00 0.48 H new ATOM 0 HG21 THR A 38 4.233 0.214 10.434 1.00 0.48 H new ATOM 0 HG22 THR A 38 5.111 0.416 8.899 1.00 0.48 H new ATOM 0 HG23 THR A 38 5.506 1.450 10.292 1.00 0.48 H new ATOM 649 N LYS A 39 6.645 3.225 8.846 1.00 0.39 N ATOM 650 CA LYS A 39 7.814 3.841 9.449 1.00 0.47 C ATOM 651 C LYS A 39 8.610 4.601 8.398 1.00 0.47 C ATOM 652 O LYS A 39 9.693 5.116 8.668 1.00 0.59 O ATOM 653 CB LYS A 39 8.698 2.783 10.121 1.00 0.56 C ATOM 654 CG LYS A 39 8.092 2.161 11.377 1.00 0.75 C ATOM 655 CD LYS A 39 7.862 3.196 12.472 1.00 0.92 C ATOM 656 CE LYS A 39 6.392 3.581 12.588 1.00 1.27 C ATOM 657 NZ LYS A 39 6.150 4.533 13.706 1.00 1.50 N ATOM 0 H LYS A 39 6.842 2.399 8.281 1.00 0.39 H new ATOM 0 HA LYS A 39 7.477 4.543 10.212 1.00 0.47 H new ATOM 0 HB2 LYS A 39 8.906 1.991 9.402 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.654 3.237 10.380 1.00 0.56 H new ATOM 0 HG2 LYS A 39 7.145 1.684 11.125 1.00 0.75 H new ATOM 0 HG3 LYS A 39 8.754 1.379 11.750 1.00 0.75 H new ATOM 0 HD2 LYS A 39 8.210 2.799 13.426 1.00 0.92 H new ATOM 0 HD3 LYS A 39 8.455 4.086 12.261 1.00 0.92 H new ATOM 0 HE2 LYS A 39 6.060 4.030 11.652 1.00 1.27 H new ATOM 0 HE3 LYS A 39 5.793 2.683 12.741 1.00 1.27 H new ATOM 0 HZ1 LYS A 39 5.138 4.768 13.749 1.00 1.50 H new ATOM 0 HZ2 LYS A 39 6.442 4.096 14.603 1.00 1.50 H new ATOM 0 HZ3 LYS A 39 6.701 5.401 13.548 1.00 1.50 H new ATOM 671 N PHE A 40 8.059 4.683 7.198 1.00 0.40 N ATOM 672 CA PHE A 40 8.727 5.378 6.111 1.00 0.44 C ATOM 673 C PHE A 40 8.095 6.746 5.872 1.00 0.40 C ATOM 674 O PHE A 40 8.588 7.528 5.063 1.00 0.42 O ATOM 675 CB PHE A 40 8.679 4.537 4.834 1.00 0.52 C ATOM 676 CG PHE A 40 9.830 4.798 3.902 1.00 1.16 C ATOM 677 CD1 PHE A 40 11.126 4.482 4.279 1.00 1.66 C ATOM 678 CD2 PHE A 40 9.619 5.357 2.650 1.00 1.77 C ATOM 679 CE1 PHE A 40 12.190 4.725 3.430 1.00 2.39 C ATOM 680 CE2 PHE A 40 10.680 5.600 1.795 1.00 2.45 C ATOM 681 CZ PHE A 40 11.966 5.281 2.185 1.00 2.68 C ATOM 0 H PHE A 40 7.155 4.279 6.953 1.00 0.40 H new ATOM 0 HA PHE A 40 9.769 5.529 6.391 1.00 0.44 H new ATOM 0 HB2 PHE A 40 8.672 3.481 5.104 1.00 0.52 H new ATOM 0 HB3 PHE A 40 7.745 4.738 4.310 1.00 0.52 H new ATOM 0 HD1 PHE A 40 11.307 4.041 5.248 1.00 1.66 H new ATOM 0 HD2 PHE A 40 8.615 5.605 2.339 1.00 1.77 H new ATOM 0 HE1 PHE A 40 13.195 4.480 3.740 1.00 2.39 H new ATOM 0 HE2 PHE A 40 10.503 6.039 0.824 1.00 2.45 H new ATOM 0 HZ PHE A 40 12.795 5.466 1.518 1.00 2.68 H new ATOM 691 N LEU A 41 7.007 7.025 6.585 1.00 0.39 N ATOM 692 CA LEU A 41 6.304 8.301 6.462 1.00 0.43 C ATOM 693 C LEU A 41 7.248 9.472 6.707 1.00 0.44 C ATOM 694 O LEU A 41 7.371 10.372 5.878 1.00 0.47 O ATOM 695 CB LEU A 41 5.140 8.370 7.455 1.00 0.49 C ATOM 696 CG LEU A 41 4.014 7.366 7.214 1.00 0.48 C ATOM 697 CD1 LEU A 41 3.148 7.241 8.458 1.00 0.55 C ATOM 698 CD2 LEU A 41 3.172 7.788 6.020 1.00 0.59 C ATOM 0 H LEU A 41 6.590 6.381 7.258 1.00 0.39 H new ATOM 0 HA LEU A 41 5.917 8.369 5.445 1.00 0.43 H new ATOM 0 HB2 LEU A 41 5.532 8.216 8.460 1.00 0.49 H new ATOM 0 HB3 LEU A 41 4.720 9.375 7.427 1.00 0.49 H new ATOM 0 HG LEU A 41 4.455 6.393 6.997 1.00 0.48 H new ATOM 0 HD11 LEU A 41 2.349 6.523 8.274 1.00 0.55 H new ATOM 0 HD12 LEU A 41 3.759 6.899 9.294 1.00 0.55 H new ATOM 0 HD13 LEU A 41 2.715 8.212 8.699 1.00 0.55 H new ATOM 0 HD21 LEU A 41 2.375 7.062 5.862 1.00 0.59 H new ATOM 0 HD22 LEU A 41 2.737 8.769 6.210 1.00 0.59 H new ATOM 0 HD23 LEU A 41 3.800 7.836 5.131 1.00 0.59 H new ATOM 710 N GLU A 42 7.947 9.429 7.834 1.00 0.49 N ATOM 711 CA GLU A 42 8.877 10.489 8.205 1.00 0.56 C ATOM 712 C GLU A 42 10.259 10.251 7.599 1.00 0.54 C ATOM 713 O GLU A 42 11.257 10.803 8.065 1.00 0.66 O ATOM 714 CB GLU A 42 8.986 10.580 9.730 1.00 0.67 C ATOM 715 CG GLU A 42 9.319 9.250 10.392 1.00 0.72 C ATOM 716 CD GLU A 42 9.681 9.397 11.855 1.00 0.93 C ATOM 717 OE1 GLU A 42 8.764 9.402 12.704 1.00 1.40 O ATOM 718 OE2 GLU A 42 10.887 9.501 12.164 1.00 1.50 O ATOM 0 H GLU A 42 7.887 8.668 8.510 1.00 0.49 H new ATOM 0 HA GLU A 42 8.491 11.429 7.811 1.00 0.56 H new ATOM 0 HB2 GLU A 42 9.754 11.309 9.989 1.00 0.67 H new ATOM 0 HB3 GLU A 42 8.044 10.952 10.133 1.00 0.67 H new ATOM 0 HG2 GLU A 42 8.465 8.579 10.299 1.00 0.72 H new ATOM 0 HG3 GLU A 42 10.149 8.783 9.862 1.00 0.72 H new ATOM 725 N GLU A 43 10.311 9.421 6.570 1.00 0.48 N ATOM 726 CA GLU A 43 11.561 9.103 5.897 1.00 0.50 C ATOM 727 C GLU A 43 11.374 9.170 4.390 1.00 0.43 C ATOM 728 O GLU A 43 12.227 8.719 3.622 1.00 0.54 O ATOM 729 CB GLU A 43 12.037 7.707 6.298 1.00 0.58 C ATOM 730 CG GLU A 43 12.601 7.631 7.704 1.00 0.76 C ATOM 731 CD GLU A 43 13.929 6.917 7.743 1.00 0.96 C ATOM 732 OE1 GLU A 43 14.723 7.089 6.793 1.00 1.46 O ATOM 733 OE2 GLU A 43 14.187 6.182 8.716 1.00 1.56 O ATOM 0 H GLU A 43 9.494 8.951 6.179 1.00 0.48 H new ATOM 0 HA GLU A 43 12.313 9.833 6.196 1.00 0.50 H new ATOM 0 HB2 GLU A 43 11.202 7.011 6.214 1.00 0.58 H new ATOM 0 HB3 GLU A 43 12.800 7.377 5.593 1.00 0.58 H new ATOM 0 HG2 GLU A 43 12.720 8.639 8.102 1.00 0.76 H new ATOM 0 HG3 GLU A 43 11.892 7.114 8.351 1.00 0.76 H new ATOM 740 N HIS A 44 10.257 9.745 3.981 1.00 0.43 N ATOM 741 CA HIS A 44 9.924 9.862 2.575 1.00 0.39 C ATOM 742 C HIS A 44 10.183 11.284 2.083 1.00 0.43 C ATOM 743 O HIS A 44 9.646 12.245 2.636 1.00 0.51 O ATOM 744 CB HIS A 44 8.458 9.484 2.363 1.00 0.41 C ATOM 745 CG HIS A 44 8.065 9.350 0.927 1.00 0.39 C ATOM 746 ND1 HIS A 44 7.354 10.305 0.234 1.00 0.42 N ATOM 747 CD2 HIS A 44 8.291 8.337 0.053 1.00 0.41 C ATOM 748 CE1 HIS A 44 7.174 9.854 -1.011 1.00 0.40 C ATOM 749 NE2 HIS A 44 7.725 8.665 -1.172 1.00 0.41 N ATOM 0 H HIS A 44 9.560 10.141 4.611 1.00 0.43 H new ATOM 0 HA HIS A 44 10.554 9.182 2.002 1.00 0.39 H new ATOM 0 HB2 HIS A 44 8.259 8.541 2.873 1.00 0.41 H new ATOM 0 HB3 HIS A 44 7.827 10.239 2.832 1.00 0.41 H new ATOM 0 HD2 HIS A 44 8.824 7.424 0.274 1.00 0.41 H new ATOM 0 HE1 HIS A 44 6.647 10.392 -1.785 1.00 0.40 H new ATOM 0 HE2 HIS A 44 7.733 8.102 -2.023 1.00 0.41 H new ATOM 757 N PRO A 45 11.013 11.436 1.044 1.00 0.44 N ATOM 758 CA PRO A 45 11.340 12.749 0.486 1.00 0.53 C ATOM 759 C PRO A 45 10.130 13.425 -0.151 1.00 0.62 C ATOM 760 O PRO A 45 9.627 12.989 -1.188 1.00 1.11 O ATOM 761 CB PRO A 45 12.408 12.444 -0.563 1.00 0.58 C ATOM 762 CG PRO A 45 12.209 11.012 -0.915 1.00 0.56 C ATOM 763 CD PRO A 45 11.688 10.342 0.324 1.00 0.44 C ATOM 0 HA PRO A 45 11.678 13.444 1.255 1.00 0.53 H new ATOM 0 HB2 PRO A 45 12.295 13.084 -1.438 1.00 0.58 H new ATOM 0 HB3 PRO A 45 13.409 12.617 -0.168 1.00 0.58 H new ATOM 0 HG2 PRO A 45 11.503 10.909 -1.739 1.00 0.56 H new ATOM 0 HG3 PRO A 45 13.145 10.557 -1.238 1.00 0.56 H new ATOM 0 HD2 PRO A 45 10.998 9.533 0.084 1.00 0.44 H new ATOM 0 HD3 PRO A 45 12.494 9.908 0.916 1.00 0.44 H new ATOM 771 N GLY A 46 9.659 14.485 0.485 1.00 0.75 N ATOM 772 CA GLY A 46 8.511 15.210 -0.023 1.00 0.82 C ATOM 773 C GLY A 46 7.456 15.416 1.042 1.00 0.83 C ATOM 774 O GLY A 46 6.585 16.283 0.912 1.00 1.38 O ATOM 0 H GLY A 46 10.052 14.859 1.349 1.00 0.75 H new ATOM 0 HA2 GLY A 46 8.834 16.178 -0.406 1.00 0.82 H new ATOM 0 HA3 GLY A 46 8.079 14.664 -0.861 1.00 0.82 H new ATOM 778 N GLY A 47 7.535 14.618 2.098 1.00 0.66 N ATOM 779 CA GLY A 47 6.582 14.723 3.184 1.00 0.67 C ATOM 780 C GLY A 47 5.669 13.519 3.272 1.00 0.60 C ATOM 781 O GLY A 47 5.630 12.696 2.355 1.00 0.64 O ATOM 0 H GLY A 47 8.246 13.897 2.222 1.00 0.66 H new ATOM 0 HA2 GLY A 47 7.120 14.837 4.125 1.00 0.67 H new ATOM 0 HA3 GLY A 47 5.981 15.622 3.050 1.00 0.67 H new ATOM 785 N GLU A 48 4.925 13.417 4.370 1.00 0.61 N ATOM 786 CA GLU A 48 4.011 12.301 4.571 1.00 0.63 C ATOM 787 C GLU A 48 2.604 12.647 4.092 1.00 0.63 C ATOM 788 O GLU A 48 1.714 11.796 4.089 1.00 0.65 O ATOM 789 CB GLU A 48 3.975 11.892 6.050 1.00 0.76 C ATOM 790 CG GLU A 48 3.354 12.940 6.960 1.00 0.95 C ATOM 791 CD GLU A 48 3.263 12.484 8.401 1.00 1.21 C ATOM 792 OE1 GLU A 48 4.314 12.414 9.078 1.00 1.86 O ATOM 793 OE2 GLU A 48 2.138 12.203 8.872 1.00 1.79 O ATOM 0 H GLU A 48 4.938 14.094 5.133 1.00 0.61 H new ATOM 0 HA GLU A 48 4.378 11.462 3.980 1.00 0.63 H new ATOM 0 HB2 GLU A 48 3.415 10.962 6.147 1.00 0.76 H new ATOM 0 HB3 GLU A 48 4.992 11.688 6.386 1.00 0.76 H new ATOM 0 HG2 GLU A 48 3.945 13.855 6.909 1.00 0.95 H new ATOM 0 HG3 GLU A 48 2.356 13.185 6.597 1.00 0.95 H new ATOM 800 N GLU A 49 2.413 13.888 3.661 1.00 0.66 N ATOM 801 CA GLU A 49 1.108 14.343 3.192 1.00 0.74 C ATOM 802 C GLU A 49 0.653 13.539 1.973 1.00 0.68 C ATOM 803 O GLU A 49 -0.494 13.095 1.905 1.00 0.72 O ATOM 804 CB GLU A 49 1.148 15.836 2.860 1.00 0.86 C ATOM 805 CG GLU A 49 -0.205 16.410 2.475 1.00 1.10 C ATOM 806 CD GLU A 49 -1.151 16.544 3.651 1.00 1.32 C ATOM 807 OE1 GLU A 49 -1.043 15.756 4.616 1.00 1.69 O ATOM 808 OE2 GLU A 49 -2.013 17.444 3.618 1.00 1.81 O ATOM 0 H GLU A 49 3.145 14.598 3.626 1.00 0.66 H new ATOM 0 HA GLU A 49 0.387 14.183 3.994 1.00 0.74 H new ATOM 0 HB2 GLU A 49 1.533 16.381 3.722 1.00 0.86 H new ATOM 0 HB3 GLU A 49 1.849 15.999 2.041 1.00 0.86 H new ATOM 0 HG2 GLU A 49 -0.061 17.390 2.019 1.00 1.10 H new ATOM 0 HG3 GLU A 49 -0.662 15.771 1.720 1.00 1.10 H new ATOM 815 N VAL A 50 1.561 13.326 1.029 1.00 0.63 N ATOM 816 CA VAL A 50 1.240 12.568 -0.180 1.00 0.60 C ATOM 817 C VAL A 50 1.032 11.087 0.134 1.00 0.54 C ATOM 818 O VAL A 50 0.505 10.337 -0.683 1.00 0.54 O ATOM 819 CB VAL A 50 2.343 12.710 -1.255 1.00 0.64 C ATOM 820 CG1 VAL A 50 2.378 14.127 -1.799 1.00 0.75 C ATOM 821 CG2 VAL A 50 3.705 12.313 -0.695 1.00 0.62 C ATOM 0 H VAL A 50 2.522 13.664 1.074 1.00 0.63 H new ATOM 0 HA VAL A 50 0.313 12.986 -0.572 1.00 0.60 H new ATOM 0 HB VAL A 50 2.106 12.033 -2.075 1.00 0.64 H new ATOM 0 HG11 VAL A 50 3.160 14.208 -2.554 1.00 0.75 H new ATOM 0 HG12 VAL A 50 1.414 14.368 -2.248 1.00 0.75 H new ATOM 0 HG13 VAL A 50 2.585 14.824 -0.987 1.00 0.75 H new ATOM 0 HG21 VAL A 50 4.463 12.422 -1.471 1.00 0.62 H new ATOM 0 HG22 VAL A 50 3.954 12.957 0.148 1.00 0.62 H new ATOM 0 HG23 VAL A 50 3.673 11.276 -0.362 1.00 0.62 H new ATOM 831 N LEU A 51 1.429 10.680 1.328 1.00 0.52 N ATOM 832 CA LEU A 51 1.299 9.292 1.739 1.00 0.50 C ATOM 833 C LEU A 51 0.017 9.072 2.538 1.00 0.53 C ATOM 834 O LEU A 51 -0.612 8.023 2.438 1.00 0.55 O ATOM 835 CB LEU A 51 2.513 8.879 2.571 1.00 0.48 C ATOM 836 CG LEU A 51 3.870 9.138 1.909 1.00 0.46 C ATOM 837 CD1 LEU A 51 5.000 8.863 2.887 1.00 0.49 C ATOM 838 CD2 LEU A 51 4.030 8.283 0.661 1.00 0.47 C ATOM 0 H LEU A 51 1.844 11.292 2.031 1.00 0.52 H new ATOM 0 HA LEU A 51 1.249 8.674 0.842 1.00 0.50 H new ATOM 0 HB2 LEU A 51 2.482 9.412 3.521 1.00 0.48 H new ATOM 0 HB3 LEU A 51 2.434 7.816 2.799 1.00 0.48 H new ATOM 0 HG LEU A 51 3.913 10.187 1.615 1.00 0.46 H new ATOM 0 HD11 LEU A 51 5.957 9.052 2.400 1.00 0.49 H new ATOM 0 HD12 LEU A 51 4.898 9.516 3.753 1.00 0.49 H new ATOM 0 HD13 LEU A 51 4.957 7.823 3.210 1.00 0.49 H new ATOM 0 HD21 LEU A 51 5.000 8.482 0.206 1.00 0.47 H new ATOM 0 HD22 LEU A 51 3.965 7.229 0.931 1.00 0.47 H new ATOM 0 HD23 LEU A 51 3.239 8.525 -0.049 1.00 0.47 H new ATOM 850 N ARG A 52 -0.376 10.070 3.325 1.00 0.59 N ATOM 851 CA ARG A 52 -1.582 9.960 4.142 1.00 0.66 C ATOM 852 C ARG A 52 -2.846 10.026 3.285 1.00 0.65 C ATOM 853 O ARG A 52 -3.903 9.548 3.691 1.00 0.69 O ATOM 854 CB ARG A 52 -1.611 11.044 5.230 1.00 0.79 C ATOM 855 CG ARG A 52 -1.593 12.472 4.697 1.00 0.97 C ATOM 856 CD ARG A 52 -2.986 13.083 4.651 1.00 1.22 C ATOM 857 NE ARG A 52 -3.625 13.101 5.966 1.00 1.50 N ATOM 858 CZ ARG A 52 -3.394 14.027 6.897 1.00 1.90 C ATOM 859 NH1 ARG A 52 -2.545 15.021 6.664 1.00 2.00 N ATOM 860 NH2 ARG A 52 -4.014 13.960 8.065 1.00 2.61 N ATOM 0 H ARG A 52 0.118 10.958 3.415 1.00 0.59 H new ATOM 0 HA ARG A 52 -1.558 8.985 4.629 1.00 0.66 H new ATOM 0 HB2 ARG A 52 -2.505 10.907 5.838 1.00 0.79 H new ATOM 0 HB3 ARG A 52 -0.754 10.904 5.888 1.00 0.79 H new ATOM 0 HG2 ARG A 52 -0.949 13.086 5.327 1.00 0.97 H new ATOM 0 HG3 ARG A 52 -1.161 12.480 3.696 1.00 0.97 H new ATOM 0 HD2 ARG A 52 -2.922 14.101 4.266 1.00 1.22 H new ATOM 0 HD3 ARG A 52 -3.606 12.518 3.955 1.00 1.22 H new ATOM 0 HE ARG A 52 -4.289 12.358 6.185 1.00 1.50 H new ATOM 0 HH11 ARG A 52 -2.063 15.081 5.767 1.00 2.00 H new ATOM 0 HH12 ARG A 52 -2.374 15.725 7.382 1.00 2.00 H new ATOM 0 HH21 ARG A 52 -4.668 13.200 8.252 1.00 2.61 H new ATOM 0 HH22 ARG A 52 -3.837 14.668 8.777 1.00 2.61 H new ATOM 874 N GLU A 53 -2.735 10.611 2.099 1.00 0.64 N ATOM 875 CA GLU A 53 -3.882 10.724 1.204 1.00 0.68 C ATOM 876 C GLU A 53 -4.059 9.457 0.371 1.00 0.65 C ATOM 877 O GLU A 53 -5.142 9.191 -0.146 1.00 0.78 O ATOM 878 CB GLU A 53 -3.735 11.937 0.281 1.00 0.72 C ATOM 879 CG GLU A 53 -2.406 11.993 -0.450 1.00 0.67 C ATOM 880 CD GLU A 53 -2.471 12.823 -1.712 1.00 0.81 C ATOM 881 OE1 GLU A 53 -2.432 14.071 -1.613 1.00 1.26 O ATOM 882 OE2 GLU A 53 -2.569 12.236 -2.809 1.00 1.35 O ATOM 0 H GLU A 53 -1.870 11.012 1.736 1.00 0.64 H new ATOM 0 HA GLU A 53 -4.769 10.857 1.823 1.00 0.68 H new ATOM 0 HB2 GLU A 53 -4.542 11.924 -0.452 1.00 0.72 H new ATOM 0 HB3 GLU A 53 -3.854 12.846 0.870 1.00 0.72 H new ATOM 0 HG2 GLU A 53 -1.647 12.407 0.214 1.00 0.67 H new ATOM 0 HG3 GLU A 53 -2.091 10.980 -0.701 1.00 0.67 H new ATOM 889 N GLN A 54 -2.994 8.675 0.250 1.00 0.57 N ATOM 890 CA GLN A 54 -3.034 7.443 -0.530 1.00 0.58 C ATOM 891 C GLN A 54 -2.934 6.224 0.380 1.00 0.57 C ATOM 892 O GLN A 54 -2.839 5.090 -0.092 1.00 0.60 O ATOM 893 CB GLN A 54 -1.892 7.423 -1.547 1.00 0.57 C ATOM 894 CG GLN A 54 -1.916 8.593 -2.519 1.00 0.64 C ATOM 895 CD GLN A 54 -3.132 8.583 -3.423 1.00 0.81 C ATOM 896 OE1 GLN A 54 -3.657 7.525 -3.774 1.00 1.13 O ATOM 897 NE2 GLN A 54 -3.593 9.765 -3.805 1.00 0.96 N ATOM 0 H GLN A 54 -2.091 8.871 0.682 1.00 0.57 H new ATOM 0 HA GLN A 54 -3.986 7.407 -1.059 1.00 0.58 H new ATOM 0 HB2 GLN A 54 -0.942 7.426 -1.013 1.00 0.57 H new ATOM 0 HB3 GLN A 54 -1.937 6.492 -2.112 1.00 0.57 H new ATOM 0 HG2 GLN A 54 -1.895 9.527 -1.957 1.00 0.64 H new ATOM 0 HG3 GLN A 54 -1.014 8.569 -3.131 1.00 0.64 H new ATOM 0 HE21 GLN A 54 -3.130 10.618 -3.492 1.00 0.96 H new ATOM 0 HE22 GLN A 54 -4.411 9.822 -4.412 1.00 0.96 H new ATOM 906 N ALA A 55 -2.959 6.464 1.684 1.00 0.58 N ATOM 907 CA ALA A 55 -2.863 5.392 2.663 1.00 0.60 C ATOM 908 C ALA A 55 -4.081 4.485 2.597 1.00 0.61 C ATOM 909 O ALA A 55 -5.196 4.905 2.910 1.00 0.68 O ATOM 910 CB ALA A 55 -2.709 5.966 4.061 1.00 0.65 C ATOM 0 H ALA A 55 -3.045 7.396 2.089 1.00 0.58 H new ATOM 0 HA ALA A 55 -1.981 4.796 2.428 1.00 0.60 H new ATOM 0 HB1 ALA A 55 -2.638 5.152 4.783 1.00 0.65 H new ATOM 0 HB2 ALA A 55 -1.804 6.572 4.108 1.00 0.65 H new ATOM 0 HB3 ALA A 55 -3.574 6.586 4.297 1.00 0.65 H new ATOM 916 N GLY A 56 -3.861 3.238 2.198 1.00 0.59 N ATOM 917 CA GLY A 56 -4.949 2.288 2.094 1.00 0.64 C ATOM 918 C GLY A 56 -5.512 2.211 0.691 1.00 0.62 C ATOM 919 O GLY A 56 -6.553 1.596 0.466 1.00 0.66 O ATOM 0 H GLY A 56 -2.945 2.868 1.944 1.00 0.59 H new ATOM 0 HA2 GLY A 56 -4.597 1.302 2.397 1.00 0.64 H new ATOM 0 HA3 GLY A 56 -5.742 2.570 2.786 1.00 0.64 H new ATOM 923 N GLY A 57 -4.827 2.840 -0.256 1.00 0.63 N ATOM 924 CA GLY A 57 -5.279 2.821 -1.630 1.00 0.65 C ATOM 925 C GLY A 57 -4.151 2.549 -2.601 1.00 0.59 C ATOM 926 O GLY A 57 -3.008 2.325 -2.194 1.00 0.55 O ATOM 0 H GLY A 57 -3.966 3.363 -0.095 1.00 0.63 H new ATOM 0 HA2 GLY A 57 -6.048 2.058 -1.747 1.00 0.65 H new ATOM 0 HA3 GLY A 57 -5.741 3.778 -1.872 1.00 0.65 H new ATOM 930 N ASP A 58 -4.476 2.562 -3.883 1.00 0.65 N ATOM 931 CA ASP A 58 -3.498 2.315 -4.935 1.00 0.62 C ATOM 932 C ASP A 58 -2.998 3.632 -5.502 1.00 0.61 C ATOM 933 O ASP A 58 -3.786 4.450 -5.989 1.00 0.71 O ATOM 934 CB ASP A 58 -4.115 1.462 -6.051 1.00 0.69 C ATOM 935 CG ASP A 58 -3.089 0.962 -7.052 1.00 0.99 C ATOM 936 OD1 ASP A 58 -2.313 1.782 -7.592 1.00 1.51 O ATOM 937 OD2 ASP A 58 -3.063 -0.258 -7.314 1.00 1.32 O ATOM 0 H ASP A 58 -5.420 2.743 -4.225 1.00 0.65 H new ATOM 0 HA ASP A 58 -2.656 1.771 -4.506 1.00 0.62 H new ATOM 0 HB2 ASP A 58 -4.627 0.608 -5.607 1.00 0.69 H new ATOM 0 HB3 ASP A 58 -4.869 2.049 -6.575 1.00 0.69 H new ATOM 942 N ALA A 59 -1.692 3.830 -5.449 1.00 0.55 N ATOM 943 CA ALA A 59 -1.095 5.050 -5.956 1.00 0.57 C ATOM 944 C ALA A 59 -0.081 4.749 -7.047 1.00 0.54 C ATOM 945 O ALA A 59 0.850 5.526 -7.265 1.00 0.54 O ATOM 946 CB ALA A 59 -0.447 5.839 -4.833 1.00 0.60 C ATOM 0 H ALA A 59 -1.027 3.162 -5.060 1.00 0.55 H new ATOM 0 HA ALA A 59 -1.891 5.656 -6.389 1.00 0.57 H new ATOM 0 HB1 ALA A 59 -0.005 6.750 -5.236 1.00 0.60 H new ATOM 0 HB2 ALA A 59 -1.200 6.099 -4.089 1.00 0.60 H new ATOM 0 HB3 ALA A 59 0.331 5.235 -4.366 1.00 0.60 H new ATOM 952 N THR A 60 -0.267 3.626 -7.741 1.00 0.56 N ATOM 953 CA THR A 60 0.630 3.247 -8.826 1.00 0.57 C ATOM 954 C THR A 60 0.640 4.350 -9.878 1.00 0.57 C ATOM 955 O THR A 60 1.653 4.612 -10.524 1.00 0.58 O ATOM 956 CB THR A 60 0.204 1.913 -9.474 1.00 0.64 C ATOM 957 OG1 THR A 60 -0.026 0.928 -8.459 1.00 0.67 O ATOM 958 CG2 THR A 60 1.269 1.412 -10.438 1.00 0.71 C ATOM 0 H THR A 60 -1.027 2.968 -7.570 1.00 0.56 H new ATOM 0 HA THR A 60 1.630 3.113 -8.413 1.00 0.57 H new ATOM 0 HB THR A 60 -0.716 2.085 -10.032 1.00 0.64 H new ATOM 0 HG1 THR A 60 -0.830 1.164 -7.951 1.00 0.67 H new ATOM 0 HG21 THR A 60 0.945 0.471 -10.881 1.00 0.71 H new ATOM 0 HG22 THR A 60 1.423 2.150 -11.225 1.00 0.71 H new ATOM 0 HG23 THR A 60 2.203 1.256 -9.899 1.00 0.71 H new ATOM 966 N GLU A 61 -0.509 5.004 -10.004 1.00 0.62 N ATOM 967 CA GLU A 61 -0.688 6.110 -10.933 1.00 0.67 C ATOM 968 C GLU A 61 0.319 7.221 -10.649 1.00 0.63 C ATOM 969 O GLU A 61 1.029 7.674 -11.544 1.00 0.74 O ATOM 970 CB GLU A 61 -2.110 6.656 -10.798 1.00 0.78 C ATOM 971 CG GLU A 61 -2.666 6.541 -9.382 1.00 0.83 C ATOM 972 CD GLU A 61 -3.531 7.714 -8.985 1.00 1.06 C ATOM 973 OE1 GLU A 61 -4.693 7.775 -9.429 1.00 1.48 O ATOM 974 OE2 GLU A 61 -3.055 8.575 -8.216 1.00 1.64 O ATOM 0 H GLU A 61 -1.344 4.780 -9.463 1.00 0.62 H new ATOM 0 HA GLU A 61 -0.524 5.748 -11.948 1.00 0.67 H new ATOM 0 HB2 GLU A 61 -2.121 7.703 -11.102 1.00 0.78 H new ATOM 0 HB3 GLU A 61 -2.765 6.119 -11.483 1.00 0.78 H new ATOM 0 HG2 GLU A 61 -3.249 5.624 -9.301 1.00 0.83 H new ATOM 0 HG3 GLU A 61 -1.837 6.455 -8.679 1.00 0.83 H new ATOM 981 N ASN A 62 0.381 7.638 -9.389 1.00 0.56 N ATOM 982 CA ASN A 62 1.291 8.694 -8.964 1.00 0.55 C ATOM 983 C ASN A 62 2.730 8.194 -8.954 1.00 0.50 C ATOM 984 O ASN A 62 3.668 8.951 -9.204 1.00 0.50 O ATOM 985 CB ASN A 62 0.892 9.197 -7.575 1.00 0.58 C ATOM 986 CG ASN A 62 0.162 10.527 -7.629 1.00 0.82 C ATOM 987 OD1 ASN A 62 0.773 11.584 -7.496 1.00 1.28 O ATOM 988 ND2 ASN A 62 -1.151 10.489 -7.824 1.00 1.32 N ATOM 0 H ASN A 62 -0.194 7.256 -8.638 1.00 0.56 H new ATOM 0 HA ASN A 62 1.223 9.519 -9.673 1.00 0.55 H new ATOM 0 HB2 ASN A 62 0.255 8.456 -7.092 1.00 0.58 H new ATOM 0 HB3 ASN A 62 1.785 9.300 -6.959 1.00 0.58 H new ATOM 0 HD21 ASN A 62 -1.685 11.357 -7.867 1.00 1.32 H new ATOM 0 HD22 ASN A 62 -1.625 9.592 -7.930 1.00 1.32 H new ATOM 995 N PHE A 63 2.886 6.908 -8.669 1.00 0.48 N ATOM 996 CA PHE A 63 4.195 6.266 -8.631 1.00 0.46 C ATOM 997 C PHE A 63 4.909 6.425 -9.972 1.00 0.49 C ATOM 998 O PHE A 63 6.067 6.847 -10.024 1.00 0.50 O ATOM 999 CB PHE A 63 4.022 4.782 -8.295 1.00 0.48 C ATOM 1000 CG PHE A 63 5.305 4.039 -8.022 1.00 0.51 C ATOM 1001 CD1 PHE A 63 5.828 3.985 -6.739 1.00 0.63 C ATOM 1002 CD2 PHE A 63 5.974 3.376 -9.042 1.00 0.70 C ATOM 1003 CE1 PHE A 63 6.994 3.290 -6.479 1.00 0.76 C ATOM 1004 CE2 PHE A 63 7.139 2.676 -8.787 1.00 0.77 C ATOM 1005 CZ PHE A 63 7.648 2.632 -7.503 1.00 0.73 C ATOM 0 H PHE A 63 2.110 6.280 -8.458 1.00 0.48 H new ATOM 0 HA PHE A 63 4.804 6.743 -7.863 1.00 0.46 H new ATOM 0 HB2 PHE A 63 3.376 4.695 -7.421 1.00 0.48 H new ATOM 0 HB3 PHE A 63 3.506 4.295 -9.122 1.00 0.48 H new ATOM 0 HD1 PHE A 63 5.318 4.492 -5.933 1.00 0.63 H new ATOM 0 HD2 PHE A 63 5.580 3.407 -10.047 1.00 0.70 H new ATOM 0 HE1 PHE A 63 7.394 3.261 -5.476 1.00 0.76 H new ATOM 0 HE2 PHE A 63 7.650 2.165 -9.590 1.00 0.77 H new ATOM 0 HZ PHE A 63 8.556 2.084 -7.300 1.00 0.73 H new ATOM 1015 N GLU A 64 4.201 6.099 -11.052 1.00 0.53 N ATOM 1016 CA GLU A 64 4.761 6.194 -12.398 1.00 0.58 C ATOM 1017 C GLU A 64 4.692 7.625 -12.928 1.00 0.57 C ATOM 1018 O GLU A 64 5.444 7.998 -13.830 1.00 0.65 O ATOM 1019 CB GLU A 64 4.028 5.240 -13.345 1.00 0.69 C ATOM 1020 CG GLU A 64 2.522 5.434 -13.363 1.00 1.08 C ATOM 1021 CD GLU A 64 1.800 4.387 -14.185 1.00 1.47 C ATOM 1022 OE1 GLU A 64 2.380 3.307 -14.435 1.00 1.88 O ATOM 1023 OE2 GLU A 64 0.643 4.643 -14.590 1.00 1.89 O ATOM 0 H GLU A 64 3.237 5.766 -11.021 1.00 0.53 H new ATOM 0 HA GLU A 64 5.811 5.906 -12.347 1.00 0.58 H new ATOM 0 HB2 GLU A 64 4.415 5.376 -14.355 1.00 0.69 H new ATOM 0 HB3 GLU A 64 4.250 4.213 -13.055 1.00 0.69 H new ATOM 0 HG2 GLU A 64 2.146 5.408 -12.340 1.00 1.08 H new ATOM 0 HG3 GLU A 64 2.293 6.422 -13.762 1.00 1.08 H new ATOM 1030 N ASP A 65 3.784 8.416 -12.370 1.00 0.54 N ATOM 1031 CA ASP A 65 3.624 9.809 -12.781 1.00 0.55 C ATOM 1032 C ASP A 65 4.851 10.611 -12.391 1.00 0.53 C ATOM 1033 O ASP A 65 5.366 11.411 -13.175 1.00 0.58 O ATOM 1034 CB ASP A 65 2.381 10.420 -12.131 1.00 0.57 C ATOM 1035 CG ASP A 65 2.029 11.779 -12.703 1.00 0.69 C ATOM 1036 OD1 ASP A 65 1.483 11.832 -13.823 1.00 0.88 O ATOM 1037 OD2 ASP A 65 2.276 12.801 -12.029 1.00 0.79 O ATOM 0 H ASP A 65 3.146 8.119 -11.632 1.00 0.54 H new ATOM 0 HA ASP A 65 3.505 9.837 -13.864 1.00 0.55 H new ATOM 0 HB2 ASP A 65 1.536 9.744 -12.265 1.00 0.57 H new ATOM 0 HB3 ASP A 65 2.546 10.514 -11.058 1.00 0.57 H new ATOM 1042 N VAL A 66 5.321 10.382 -11.176 1.00 0.50 N ATOM 1043 CA VAL A 66 6.496 11.071 -10.668 1.00 0.52 C ATOM 1044 C VAL A 66 7.772 10.375 -11.135 1.00 0.50 C ATOM 1045 O VAL A 66 8.679 11.011 -11.674 1.00 0.55 O ATOM 1046 CB VAL A 66 6.478 11.134 -9.123 1.00 0.56 C ATOM 1047 CG1 VAL A 66 7.758 11.760 -8.591 1.00 0.67 C ATOM 1048 CG2 VAL A 66 5.264 11.908 -8.637 1.00 0.60 C ATOM 0 H VAL A 66 4.905 9.721 -10.520 1.00 0.50 H new ATOM 0 HA VAL A 66 6.478 12.088 -11.061 1.00 0.52 H new ATOM 0 HB VAL A 66 6.415 10.115 -8.742 1.00 0.56 H new ATOM 0 HG11 VAL A 66 7.722 11.793 -7.502 1.00 0.67 H new ATOM 0 HG12 VAL A 66 8.614 11.163 -8.907 1.00 0.67 H new ATOM 0 HG13 VAL A 66 7.857 12.773 -8.982 1.00 0.67 H new ATOM 0 HG21 VAL A 66 5.267 11.943 -7.548 1.00 0.60 H new ATOM 0 HG22 VAL A 66 5.297 12.923 -9.032 1.00 0.60 H new ATOM 0 HG23 VAL A 66 4.356 11.414 -8.982 1.00 0.60 H new ATOM 1058 N GLY A 67 7.827 9.065 -10.937 1.00 0.50 N ATOM 1059 CA GLY A 67 8.993 8.303 -11.332 1.00 0.54 C ATOM 1060 C GLY A 67 9.859 7.940 -10.142 1.00 0.54 C ATOM 1061 O GLY A 67 10.191 8.798 -9.325 1.00 0.82 O ATOM 0 H GLY A 67 7.082 8.516 -10.508 1.00 0.50 H new ATOM 0 HA2 GLY A 67 8.677 7.393 -11.842 1.00 0.54 H new ATOM 0 HA3 GLY A 67 9.580 8.881 -12.046 1.00 0.54 H new ATOM 1065 N HIS A 68 10.213 6.670 -10.034 1.00 0.45 N ATOM 1066 CA HIS A 68 11.040 6.199 -8.932 1.00 0.42 C ATOM 1067 C HIS A 68 12.300 5.532 -9.459 1.00 0.47 C ATOM 1068 O HIS A 68 12.248 4.771 -10.429 1.00 0.58 O ATOM 1069 CB HIS A 68 10.266 5.219 -8.051 1.00 0.39 C ATOM 1070 CG HIS A 68 9.373 5.885 -7.046 1.00 0.36 C ATOM 1071 ND1 HIS A 68 8.196 6.531 -7.368 1.00 0.35 N ATOM 1072 CD2 HIS A 68 9.500 5.992 -5.698 1.00 0.41 C ATOM 1073 CE1 HIS A 68 7.660 7.000 -6.232 1.00 0.35 C ATOM 1074 NE2 HIS A 68 8.413 6.700 -5.193 1.00 0.40 N ATOM 0 H HIS A 68 9.941 5.944 -10.697 1.00 0.45 H new ATOM 0 HA HIS A 68 11.320 7.063 -8.330 1.00 0.42 H new ATOM 0 HB2 HIS A 68 9.662 4.572 -8.687 1.00 0.39 H new ATOM 0 HB3 HIS A 68 10.975 4.579 -7.526 1.00 0.39 H new ATOM 0 HD2 HIS A 68 10.314 5.592 -5.112 1.00 0.41 H new ATOM 0 HE1 HIS A 68 6.733 7.551 -6.176 1.00 0.35 H new ATOM 0 HE2 HIS A 68 8.235 6.938 -4.217 1.00 0.40 H new ATOM 1082 N SER A 69 13.420 5.822 -8.816 1.00 0.45 N ATOM 1083 CA SER A 69 14.703 5.258 -9.207 1.00 0.50 C ATOM 1084 C SER A 69 14.707 3.735 -9.083 1.00 0.50 C ATOM 1085 O SER A 69 13.949 3.159 -8.295 1.00 0.46 O ATOM 1086 CB SER A 69 15.804 5.862 -8.340 1.00 0.55 C ATOM 1087 OG SER A 69 15.752 7.276 -8.381 1.00 1.01 O ATOM 0 H SER A 69 13.466 6.450 -8.014 1.00 0.45 H new ATOM 0 HA SER A 69 14.883 5.501 -10.254 1.00 0.50 H new ATOM 0 HB2 SER A 69 15.694 5.518 -7.311 1.00 0.55 H new ATOM 0 HB3 SER A 69 16.778 5.518 -8.688 1.00 0.55 H new ATOM 0 HG SER A 69 16.464 7.646 -7.818 1.00 1.01 H new ATOM 1093 N THR A 70 15.570 3.092 -9.859 1.00 0.59 N ATOM 1094 CA THR A 70 15.691 1.642 -9.850 1.00 0.64 C ATOM 1095 C THR A 70 16.043 1.122 -8.458 1.00 0.61 C ATOM 1096 O THR A 70 15.541 0.088 -8.025 1.00 0.66 O ATOM 1097 CB THR A 70 16.764 1.186 -10.853 1.00 0.78 C ATOM 1098 OG1 THR A 70 17.384 2.334 -11.451 1.00 0.89 O ATOM 1099 CG2 THR A 70 16.158 0.309 -11.938 1.00 1.08 C ATOM 0 H THR A 70 16.202 3.559 -10.509 1.00 0.59 H new ATOM 0 HA THR A 70 14.724 1.231 -10.140 1.00 0.64 H new ATOM 0 HB THR A 70 17.511 0.601 -10.316 1.00 0.78 H new ATOM 0 HG1 THR A 70 16.775 2.730 -12.109 1.00 0.89 H new ATOM 0 HG21 THR A 70 16.938 0.000 -12.634 1.00 1.08 H new ATOM 0 HG22 THR A 70 15.707 -0.573 -11.483 1.00 1.08 H new ATOM 0 HG23 THR A 70 15.394 0.871 -12.475 1.00 1.08 H new ATOM 1107 N ASP A 71 16.900 1.849 -7.754 1.00 0.60 N ATOM 1108 CA ASP A 71 17.307 1.458 -6.409 1.00 0.61 C ATOM 1109 C ASP A 71 16.142 1.587 -5.434 1.00 0.54 C ATOM 1110 O ASP A 71 15.990 0.776 -4.522 1.00 0.56 O ATOM 1111 CB ASP A 71 18.482 2.316 -5.940 1.00 0.70 C ATOM 1112 CG ASP A 71 18.917 1.988 -4.526 1.00 0.97 C ATOM 1113 OD1 ASP A 71 19.301 0.826 -4.273 1.00 1.38 O ATOM 1114 OD2 ASP A 71 18.892 2.896 -3.665 1.00 1.29 O ATOM 0 H ASP A 71 17.327 2.712 -8.090 1.00 0.60 H new ATOM 0 HA ASP A 71 17.620 0.414 -6.437 1.00 0.61 H new ATOM 0 HB2 ASP A 71 19.324 2.173 -6.617 1.00 0.70 H new ATOM 0 HB3 ASP A 71 18.203 3.368 -5.995 1.00 0.70 H new ATOM 1119 N ALA A 72 15.304 2.590 -5.658 1.00 0.48 N ATOM 1120 CA ALA A 72 14.149 2.838 -4.803 1.00 0.44 C ATOM 1121 C ALA A 72 13.172 1.668 -4.842 1.00 0.42 C ATOM 1122 O ALA A 72 12.737 1.178 -3.798 1.00 0.43 O ATOM 1123 CB ALA A 72 13.450 4.125 -5.210 1.00 0.47 C ATOM 0 H ALA A 72 15.403 3.250 -6.430 1.00 0.48 H new ATOM 0 HA ALA A 72 14.508 2.944 -3.779 1.00 0.44 H new ATOM 0 HB1 ALA A 72 12.591 4.293 -4.561 1.00 0.47 H new ATOM 0 HB2 ALA A 72 14.144 4.961 -5.118 1.00 0.47 H new ATOM 0 HB3 ALA A 72 13.114 4.045 -6.244 1.00 0.47 H new ATOM 1129 N ARG A 73 12.839 1.214 -6.047 1.00 0.44 N ATOM 1130 CA ARG A 73 11.914 0.096 -6.206 1.00 0.48 C ATOM 1131 C ARG A 73 12.535 -1.203 -5.694 1.00 0.49 C ATOM 1132 O ARG A 73 11.826 -2.092 -5.226 1.00 0.56 O ATOM 1133 CB ARG A 73 11.462 -0.054 -7.669 1.00 0.54 C ATOM 1134 CG ARG A 73 12.598 -0.104 -8.678 1.00 0.68 C ATOM 1135 CD ARG A 73 12.703 -1.464 -9.344 1.00 0.74 C ATOM 1136 NE ARG A 73 11.445 -1.859 -9.973 1.00 0.90 N ATOM 1137 CZ ARG A 73 10.938 -3.091 -9.926 1.00 1.08 C ATOM 1138 NH1 ARG A 73 11.612 -4.079 -9.341 1.00 1.08 N ATOM 1139 NH2 ARG A 73 9.759 -3.341 -10.488 1.00 1.36 N ATOM 0 H ARG A 73 13.193 1.600 -6.922 1.00 0.44 H new ATOM 0 HA ARG A 73 11.030 0.311 -5.606 1.00 0.48 H new ATOM 0 HB2 ARG A 73 10.870 -0.965 -7.762 1.00 0.54 H new ATOM 0 HB3 ARG A 73 10.806 0.779 -7.921 1.00 0.54 H new ATOM 0 HG2 ARG A 73 12.443 0.662 -9.438 1.00 0.68 H new ATOM 0 HG3 ARG A 73 13.538 0.129 -8.178 1.00 0.68 H new ATOM 0 HD2 ARG A 73 13.493 -1.441 -10.095 1.00 0.74 H new ATOM 0 HD3 ARG A 73 12.989 -2.210 -8.603 1.00 0.74 H new ATOM 0 HE ARG A 73 10.921 -1.146 -10.481 1.00 0.90 H new ATOM 0 HH11 ARG A 73 12.525 -3.897 -8.924 1.00 1.08 H new ATOM 0 HH12 ARG A 73 11.216 -5.018 -9.310 1.00 1.08 H new ATOM 0 HH21 ARG A 73 9.246 -2.592 -10.953 1.00 1.36 H new ATOM 0 HH22 ARG A 73 9.367 -4.282 -10.454 1.00 1.36 H new ATOM 1153 N GLU A 74 13.859 -1.306 -5.768 1.00 0.47 N ATOM 1154 CA GLU A 74 14.549 -2.497 -5.288 1.00 0.51 C ATOM 1155 C GLU A 74 14.607 -2.500 -3.764 1.00 0.49 C ATOM 1156 O GLU A 74 14.567 -3.554 -3.129 1.00 0.55 O ATOM 1157 CB GLU A 74 15.959 -2.582 -5.876 1.00 0.57 C ATOM 1158 CG GLU A 74 15.980 -3.076 -7.314 1.00 0.65 C ATOM 1159 CD GLU A 74 14.978 -4.187 -7.563 1.00 0.75 C ATOM 1160 OE1 GLU A 74 14.948 -5.157 -6.777 1.00 1.01 O ATOM 1161 OE2 GLU A 74 14.201 -4.083 -8.539 1.00 0.84 O ATOM 0 H GLU A 74 14.470 -0.585 -6.152 1.00 0.47 H new ATOM 0 HA GLU A 74 13.989 -3.372 -5.617 1.00 0.51 H new ATOM 0 HB2 GLU A 74 16.425 -1.598 -5.830 1.00 0.57 H new ATOM 0 HB3 GLU A 74 16.563 -3.249 -5.261 1.00 0.57 H new ATOM 0 HG2 GLU A 74 15.767 -2.243 -7.984 1.00 0.65 H new ATOM 0 HG3 GLU A 74 16.981 -3.433 -7.557 1.00 0.65 H new ATOM 1168 N LEU A 75 14.703 -1.312 -3.185 1.00 0.47 N ATOM 1169 CA LEU A 75 14.736 -1.161 -1.738 1.00 0.48 C ATOM 1170 C LEU A 75 13.362 -1.478 -1.158 1.00 0.43 C ATOM 1171 O LEU A 75 13.236 -1.946 -0.025 1.00 0.44 O ATOM 1172 CB LEU A 75 15.154 0.264 -1.365 1.00 0.53 C ATOM 1173 CG LEU A 75 15.084 0.608 0.126 1.00 0.56 C ATOM 1174 CD1 LEU A 75 16.087 -0.213 0.917 1.00 0.65 C ATOM 1175 CD2 LEU A 75 15.332 2.091 0.335 1.00 0.61 C ATOM 0 H LEU A 75 14.760 -0.433 -3.700 1.00 0.47 H new ATOM 0 HA LEU A 75 15.466 -1.855 -1.323 1.00 0.48 H new ATOM 0 HB2 LEU A 75 16.176 0.425 -1.709 1.00 0.53 H new ATOM 0 HB3 LEU A 75 14.520 0.963 -1.911 1.00 0.53 H new ATOM 0 HG LEU A 75 14.085 0.365 0.488 1.00 0.56 H new ATOM 0 HD11 LEU A 75 16.019 0.048 1.973 1.00 0.65 H new ATOM 0 HD12 LEU A 75 15.869 -1.274 0.791 1.00 0.65 H new ATOM 0 HD13 LEU A 75 17.094 -0.004 0.556 1.00 0.65 H new ATOM 0 HD21 LEU A 75 15.279 2.322 1.399 1.00 0.61 H new ATOM 0 HD22 LEU A 75 16.320 2.352 -0.045 1.00 0.61 H new ATOM 0 HD23 LEU A 75 14.575 2.665 -0.199 1.00 0.61 H new ATOM 1187 N SER A 76 12.333 -1.248 -1.967 1.00 0.45 N ATOM 1188 CA SER A 76 10.958 -1.500 -1.562 1.00 0.46 C ATOM 1189 C SER A 76 10.674 -3.000 -1.485 1.00 0.43 C ATOM 1190 O SER A 76 9.635 -3.417 -0.976 1.00 0.45 O ATOM 1191 CB SER A 76 9.990 -0.829 -2.536 1.00 0.55 C ATOM 1192 OG SER A 76 10.276 0.554 -2.663 1.00 0.82 O ATOM 0 H SER A 76 12.429 -0.884 -2.915 1.00 0.45 H new ATOM 0 HA SER A 76 10.814 -1.076 -0.568 1.00 0.46 H new ATOM 0 HB2 SER A 76 10.059 -1.310 -3.512 1.00 0.55 H new ATOM 0 HB3 SER A 76 8.966 -0.962 -2.187 1.00 0.55 H new ATOM 0 HG SER A 76 11.146 0.669 -3.098 1.00 0.82 H new ATOM 1198 N LYS A 77 11.619 -3.805 -1.957 1.00 0.45 N ATOM 1199 CA LYS A 77 11.468 -5.255 -1.952 1.00 0.51 C ATOM 1200 C LYS A 77 11.402 -5.794 -0.524 1.00 0.47 C ATOM 1201 O LYS A 77 10.978 -6.924 -0.300 1.00 0.56 O ATOM 1202 CB LYS A 77 12.622 -5.915 -2.708 1.00 0.63 C ATOM 1203 CG LYS A 77 12.310 -7.322 -3.195 1.00 0.94 C ATOM 1204 CD LYS A 77 13.549 -8.016 -3.734 1.00 1.20 C ATOM 1205 CE LYS A 77 13.200 -9.334 -4.403 1.00 1.60 C ATOM 1206 NZ LYS A 77 14.407 -10.153 -4.680 1.00 1.89 N ATOM 0 H LYS A 77 12.501 -3.476 -2.349 1.00 0.45 H new ATOM 0 HA LYS A 77 10.531 -5.497 -2.454 1.00 0.51 H new ATOM 0 HB2 LYS A 77 12.886 -5.294 -3.564 1.00 0.63 H new ATOM 0 HB3 LYS A 77 13.497 -5.951 -2.059 1.00 0.63 H new ATOM 0 HG2 LYS A 77 11.892 -7.907 -2.375 1.00 0.94 H new ATOM 0 HG3 LYS A 77 11.549 -7.277 -3.975 1.00 0.94 H new ATOM 0 HD2 LYS A 77 14.050 -7.365 -4.450 1.00 1.20 H new ATOM 0 HD3 LYS A 77 14.251 -8.194 -2.920 1.00 1.20 H new ATOM 0 HE2 LYS A 77 12.519 -9.896 -3.764 1.00 1.60 H new ATOM 0 HE3 LYS A 77 12.672 -9.138 -5.336 1.00 1.60 H new ATOM 0 HZ1 LYS A 77 14.125 -11.044 -5.137 1.00 1.89 H new ATOM 0 HZ2 LYS A 77 15.046 -9.628 -5.311 1.00 1.89 H new ATOM 0 HZ3 LYS A 77 14.897 -10.362 -3.787 1.00 1.89 H new ATOM 1220 N THR A 78 11.822 -4.989 0.441 1.00 0.42 N ATOM 1221 CA THR A 78 11.790 -5.409 1.832 1.00 0.48 C ATOM 1222 C THR A 78 10.550 -4.865 2.539 1.00 0.43 C ATOM 1223 O THR A 78 10.322 -5.141 3.718 1.00 0.53 O ATOM 1224 CB THR A 78 13.064 -4.975 2.591 1.00 0.59 C ATOM 1225 OG1 THR A 78 13.168 -5.701 3.823 1.00 0.84 O ATOM 1226 CG2 THR A 78 13.062 -3.477 2.876 1.00 0.63 C ATOM 0 H THR A 78 12.186 -4.049 0.287 1.00 0.42 H new ATOM 0 HA THR A 78 11.749 -6.498 1.836 1.00 0.48 H new ATOM 0 HB THR A 78 13.923 -5.198 1.958 1.00 0.59 H new ATOM 0 HG1 THR A 78 12.272 -5.848 4.193 1.00 0.84 H new ATOM 0 HG21 THR A 78 13.973 -3.207 3.411 1.00 0.63 H new ATOM 0 HG22 THR A 78 13.017 -2.928 1.936 1.00 0.63 H new ATOM 0 HG23 THR A 78 12.195 -3.224 3.486 1.00 0.63 H new ATOM 1234 N PHE A 79 9.741 -4.107 1.808 1.00 0.36 N ATOM 1235 CA PHE A 79 8.528 -3.523 2.367 1.00 0.38 C ATOM 1236 C PHE A 79 7.291 -4.270 1.885 1.00 0.32 C ATOM 1237 O PHE A 79 6.166 -3.914 2.231 1.00 0.33 O ATOM 1238 CB PHE A 79 8.419 -2.044 1.983 1.00 0.46 C ATOM 1239 CG PHE A 79 9.395 -1.152 2.699 1.00 0.51 C ATOM 1240 CD1 PHE A 79 9.567 -1.247 4.070 1.00 1.10 C ATOM 1241 CD2 PHE A 79 10.140 -0.218 1.999 1.00 0.96 C ATOM 1242 CE1 PHE A 79 10.462 -0.430 4.728 1.00 1.16 C ATOM 1243 CE2 PHE A 79 11.037 0.604 2.653 1.00 1.01 C ATOM 1244 CZ PHE A 79 11.200 0.498 4.019 1.00 0.70 C ATOM 0 H PHE A 79 9.903 -3.882 0.826 1.00 0.36 H new ATOM 0 HA PHE A 79 8.586 -3.608 3.452 1.00 0.38 H new ATOM 0 HB2 PHE A 79 8.574 -1.946 0.909 1.00 0.46 H new ATOM 0 HB3 PHE A 79 7.406 -1.699 2.192 1.00 0.46 H new ATOM 0 HD1 PHE A 79 8.993 -1.970 4.631 1.00 1.10 H new ATOM 0 HD2 PHE A 79 10.018 -0.131 0.929 1.00 0.96 H new ATOM 0 HE1 PHE A 79 10.586 -0.516 5.797 1.00 1.16 H new ATOM 0 HE2 PHE A 79 11.611 1.329 2.095 1.00 1.01 H new ATOM 0 HZ PHE A 79 11.902 1.138 4.532 1.00 0.70 H new ATOM 1254 N ILE A 80 7.502 -5.302 1.084 1.00 0.38 N ATOM 1255 CA ILE A 80 6.401 -6.091 0.558 1.00 0.36 C ATOM 1256 C ILE A 80 5.944 -7.127 1.585 1.00 0.33 C ATOM 1257 O ILE A 80 6.730 -7.962 2.041 1.00 0.42 O ATOM 1258 CB ILE A 80 6.784 -6.782 -0.780 1.00 0.46 C ATOM 1259 CG1 ILE A 80 5.606 -7.585 -1.334 1.00 0.46 C ATOM 1260 CG2 ILE A 80 8.004 -7.674 -0.618 1.00 0.58 C ATOM 1261 CD1 ILE A 80 4.578 -6.728 -2.031 1.00 0.72 C ATOM 0 H ILE A 80 8.426 -5.613 0.784 1.00 0.38 H new ATOM 0 HA ILE A 80 5.573 -5.411 0.355 1.00 0.36 H new ATOM 0 HB ILE A 80 7.036 -5.997 -1.493 1.00 0.46 H new ATOM 0 HG12 ILE A 80 5.981 -8.332 -2.033 1.00 0.46 H new ATOM 0 HG13 ILE A 80 5.126 -8.125 -0.517 1.00 0.46 H new ATOM 0 HG21 ILE A 80 8.243 -8.141 -1.574 1.00 0.58 H new ATOM 0 HG22 ILE A 80 8.851 -7.075 -0.285 1.00 0.58 H new ATOM 0 HG23 ILE A 80 7.794 -8.447 0.121 1.00 0.58 H new ATOM 0 HD11 ILE A 80 3.769 -7.358 -2.401 1.00 0.72 H new ATOM 0 HD12 ILE A 80 4.177 -5.997 -1.329 1.00 0.72 H new ATOM 0 HD13 ILE A 80 5.045 -6.208 -2.868 1.00 0.72 H new ATOM 1273 N ILE A 81 4.680 -7.043 1.977 1.00 0.28 N ATOM 1274 CA ILE A 81 4.123 -7.978 2.946 1.00 0.32 C ATOM 1275 C ILE A 81 3.060 -8.863 2.302 1.00 0.29 C ATOM 1276 O ILE A 81 2.564 -9.810 2.915 1.00 0.31 O ATOM 1277 CB ILE A 81 3.516 -7.265 4.184 1.00 0.42 C ATOM 1278 CG1 ILE A 81 2.379 -6.309 3.778 1.00 0.50 C ATOM 1279 CG2 ILE A 81 4.605 -6.532 4.960 1.00 0.43 C ATOM 1280 CD1 ILE A 81 2.820 -4.884 3.507 1.00 0.77 C ATOM 0 H ILE A 81 4.022 -6.340 1.640 1.00 0.28 H new ATOM 0 HA ILE A 81 4.956 -8.593 3.288 1.00 0.32 H new ATOM 0 HB ILE A 81 3.083 -8.023 4.836 1.00 0.42 H new ATOM 0 HG12 ILE A 81 1.894 -6.701 2.884 1.00 0.50 H new ATOM 0 HG13 ILE A 81 1.630 -6.299 4.570 1.00 0.50 H new ATOM 0 HG21 ILE A 81 4.165 -6.037 5.825 1.00 0.43 H new ATOM 0 HG22 ILE A 81 5.357 -7.247 5.295 1.00 0.43 H new ATOM 0 HG23 ILE A 81 5.073 -5.788 4.315 1.00 0.43 H new ATOM 0 HD11 ILE A 81 1.955 -4.282 3.228 1.00 0.77 H new ATOM 0 HD12 ILE A 81 3.277 -4.468 4.405 1.00 0.77 H new ATOM 0 HD13 ILE A 81 3.545 -4.876 2.693 1.00 0.77 H new ATOM 1292 N GLY A 82 2.713 -8.558 1.063 1.00 0.32 N ATOM 1293 CA GLY A 82 1.715 -9.341 0.377 1.00 0.35 C ATOM 1294 C GLY A 82 1.166 -8.644 -0.844 1.00 0.31 C ATOM 1295 O GLY A 82 1.661 -7.592 -1.242 1.00 0.34 O ATOM 0 H GLY A 82 3.104 -7.785 0.524 1.00 0.32 H new ATOM 0 HA2 GLY A 82 2.149 -10.296 0.081 1.00 0.35 H new ATOM 0 HA3 GLY A 82 0.897 -9.561 1.063 1.00 0.35 H new ATOM 1299 N GLU A 83 0.137 -9.230 -1.429 1.00 0.30 N ATOM 1300 CA GLU A 83 -0.491 -8.679 -2.622 1.00 0.31 C ATOM 1301 C GLU A 83 -2.000 -8.626 -2.453 1.00 0.32 C ATOM 1302 O GLU A 83 -2.536 -9.072 -1.434 1.00 0.34 O ATOM 1303 CB GLU A 83 -0.145 -9.519 -3.850 1.00 0.37 C ATOM 1304 CG GLU A 83 1.268 -9.310 -4.365 1.00 0.61 C ATOM 1305 CD GLU A 83 1.423 -9.735 -5.809 1.00 0.54 C ATOM 1306 OE1 GLU A 83 0.636 -10.586 -6.270 1.00 0.72 O ATOM 1307 OE2 GLU A 83 2.323 -9.216 -6.494 1.00 0.86 O ATOM 0 H GLU A 83 -0.287 -10.096 -1.095 1.00 0.30 H new ATOM 0 HA GLU A 83 -0.111 -7.667 -2.765 1.00 0.31 H new ATOM 0 HB2 GLU A 83 -0.279 -10.573 -3.606 1.00 0.37 H new ATOM 0 HB3 GLU A 83 -0.850 -9.284 -4.648 1.00 0.37 H new ATOM 0 HG2 GLU A 83 1.536 -8.258 -4.268 1.00 0.61 H new ATOM 0 HG3 GLU A 83 1.965 -9.875 -3.746 1.00 0.61 H new ATOM 1314 N LEU A 84 -2.677 -8.087 -3.454 1.00 0.38 N ATOM 1315 CA LEU A 84 -4.126 -7.978 -3.429 1.00 0.44 C ATOM 1316 C LEU A 84 -4.766 -9.266 -3.920 1.00 0.40 C ATOM 1317 O LEU A 84 -4.169 -10.008 -4.710 1.00 0.39 O ATOM 1318 CB LEU A 84 -4.590 -6.800 -4.295 1.00 0.52 C ATOM 1319 CG LEU A 84 -5.084 -5.566 -3.529 1.00 0.49 C ATOM 1320 CD1 LEU A 84 -6.365 -5.881 -2.778 1.00 0.92 C ATOM 1321 CD2 LEU A 84 -4.014 -5.059 -2.571 1.00 0.87 C ATOM 0 H LEU A 84 -2.242 -7.716 -4.299 1.00 0.38 H new ATOM 0 HA LEU A 84 -4.437 -7.802 -2.399 1.00 0.44 H new ATOM 0 HB2 LEU A 84 -3.764 -6.499 -4.939 1.00 0.52 H new ATOM 0 HB3 LEU A 84 -5.392 -7.146 -4.947 1.00 0.52 H new ATOM 0 HG LEU A 84 -5.293 -4.779 -4.253 1.00 0.49 H new ATOM 0 HD11 LEU A 84 -6.700 -4.993 -2.241 1.00 0.92 H new ATOM 0 HD12 LEU A 84 -7.135 -6.189 -3.485 1.00 0.92 H new ATOM 0 HD13 LEU A 84 -6.181 -6.687 -2.068 1.00 0.92 H new ATOM 0 HD21 LEU A 84 -4.387 -4.184 -2.039 1.00 0.87 H new ATOM 0 HD22 LEU A 84 -3.767 -5.842 -1.854 1.00 0.87 H new ATOM 0 HD23 LEU A 84 -3.121 -4.788 -3.134 1.00 0.87 H new ATOM 1333 N HIS A 85 -5.973 -9.530 -3.438 1.00 0.45 N ATOM 1334 CA HIS A 85 -6.719 -10.725 -3.820 1.00 0.48 C ATOM 1335 C HIS A 85 -6.961 -10.750 -5.328 1.00 0.42 C ATOM 1336 O HIS A 85 -7.126 -9.700 -5.946 1.00 0.39 O ATOM 1337 CB HIS A 85 -8.061 -10.785 -3.077 1.00 0.61 C ATOM 1338 CG HIS A 85 -8.058 -11.723 -1.910 1.00 0.52 C ATOM 1339 ND1 HIS A 85 -8.979 -12.738 -1.754 1.00 1.22 N ATOM 1340 CD2 HIS A 85 -7.235 -11.802 -0.839 1.00 0.80 C ATOM 1341 CE1 HIS A 85 -8.722 -13.397 -0.642 1.00 1.48 C ATOM 1342 NE2 HIS A 85 -7.669 -12.848 -0.065 1.00 1.10 N ATOM 0 H HIS A 85 -6.461 -8.927 -2.776 1.00 0.45 H new ATOM 0 HA HIS A 85 -6.124 -11.596 -3.544 1.00 0.48 H new ATOM 0 HB2 HIS A 85 -8.319 -9.785 -2.728 1.00 0.61 H new ATOM 0 HB3 HIS A 85 -8.840 -11.090 -3.776 1.00 0.61 H new ATOM 0 HD2 HIS A 85 -6.392 -11.160 -0.632 1.00 0.80 H new ATOM 0 HE1 HIS A 85 -9.279 -14.243 -0.266 1.00 1.48 H new ATOM 0 HE2 HIS A 85 -7.247 -13.152 0.813 1.00 1.10 H new ATOM 1351 N PRO A 86 -6.987 -11.951 -5.935 1.00 0.45 N ATOM 1352 CA PRO A 86 -7.212 -12.107 -7.379 1.00 0.44 C ATOM 1353 C PRO A 86 -8.516 -11.455 -7.837 1.00 0.40 C ATOM 1354 O PRO A 86 -8.596 -10.893 -8.930 1.00 0.42 O ATOM 1355 CB PRO A 86 -7.280 -13.630 -7.580 1.00 0.53 C ATOM 1356 CG PRO A 86 -7.442 -14.211 -6.218 1.00 0.57 C ATOM 1357 CD PRO A 86 -6.793 -13.250 -5.271 1.00 0.53 C ATOM 0 HA PRO A 86 -6.427 -11.624 -7.961 1.00 0.44 H new ATOM 0 HB2 PRO A 86 -8.116 -13.903 -8.224 1.00 0.53 H new ATOM 0 HB3 PRO A 86 -6.374 -14.002 -8.059 1.00 0.53 H new ATOM 0 HG2 PRO A 86 -8.496 -14.344 -5.975 1.00 0.57 H new ATOM 0 HG3 PRO A 86 -6.974 -15.194 -6.156 1.00 0.57 H new ATOM 0 HD2 PRO A 86 -7.261 -13.274 -4.287 1.00 0.53 H new ATOM 0 HD3 PRO A 86 -5.736 -13.476 -5.127 1.00 0.53 H new ATOM 1365 N ASP A 87 -9.527 -11.522 -6.981 1.00 0.41 N ATOM 1366 CA ASP A 87 -10.837 -10.946 -7.278 1.00 0.43 C ATOM 1367 C ASP A 87 -10.781 -9.423 -7.284 1.00 0.41 C ATOM 1368 O ASP A 87 -11.539 -8.762 -7.993 1.00 0.47 O ATOM 1369 CB ASP A 87 -11.873 -11.416 -6.254 1.00 0.55 C ATOM 1370 CG ASP A 87 -11.719 -12.882 -5.913 1.00 0.94 C ATOM 1371 OD1 ASP A 87 -10.928 -13.201 -4.999 1.00 1.28 O ATOM 1372 OD2 ASP A 87 -12.372 -13.723 -6.561 1.00 1.30 O ATOM 0 H ASP A 87 -9.466 -11.973 -6.068 1.00 0.41 H new ATOM 0 HA ASP A 87 -11.130 -11.287 -8.271 1.00 0.43 H new ATOM 0 HB2 ASP A 87 -11.778 -10.822 -5.345 1.00 0.55 H new ATOM 0 HB3 ASP A 87 -12.874 -11.240 -6.647 1.00 0.55 H new ATOM 1377 N ASP A 88 -9.865 -8.875 -6.500 1.00 0.42 N ATOM 1378 CA ASP A 88 -9.699 -7.431 -6.404 1.00 0.50 C ATOM 1379 C ASP A 88 -8.659 -6.954 -7.411 1.00 0.49 C ATOM 1380 O ASP A 88 -8.382 -5.760 -7.522 1.00 0.64 O ATOM 1381 CB ASP A 88 -9.259 -7.035 -4.989 1.00 0.60 C ATOM 1382 CG ASP A 88 -10.312 -7.307 -3.929 1.00 0.89 C ATOM 1383 OD1 ASP A 88 -11.482 -6.919 -4.128 1.00 1.22 O ATOM 1384 OD2 ASP A 88 -9.977 -7.910 -2.882 1.00 1.20 O ATOM 0 H ASP A 88 -9.222 -9.411 -5.918 1.00 0.42 H new ATOM 0 HA ASP A 88 -10.657 -6.960 -6.624 1.00 0.50 H new ATOM 0 HB2 ASP A 88 -8.349 -7.579 -4.734 1.00 0.60 H new ATOM 0 HB3 ASP A 88 -9.009 -5.974 -4.978 1.00 0.60 H new ATOM 1389 N ARG A 89 -8.088 -7.897 -8.143 1.00 0.44 N ATOM 1390 CA ARG A 89 -7.066 -7.586 -9.125 1.00 0.51 C ATOM 1391 C ARG A 89 -7.609 -7.729 -10.542 1.00 0.57 C ATOM 1392 O ARG A 89 -7.477 -6.818 -11.359 1.00 0.80 O ATOM 1393 CB ARG A 89 -5.861 -8.505 -8.936 1.00 0.56 C ATOM 1394 CG ARG A 89 -4.626 -8.066 -9.709 1.00 0.89 C ATOM 1395 CD ARG A 89 -3.530 -9.117 -9.655 1.00 0.88 C ATOM 1396 NE ARG A 89 -3.303 -9.600 -8.293 1.00 0.60 N ATOM 1397 CZ ARG A 89 -2.100 -9.861 -7.784 1.00 0.59 C ATOM 1398 NH1 ARG A 89 -1.001 -9.657 -8.502 1.00 0.77 N ATOM 1399 NH2 ARG A 89 -1.989 -10.314 -6.545 1.00 0.81 N ATOM 0 H ARG A 89 -8.318 -8.888 -8.074 1.00 0.44 H new ATOM 0 HA ARG A 89 -6.757 -6.551 -8.978 1.00 0.51 H new ATOM 0 HB2 ARG A 89 -5.616 -8.553 -7.875 1.00 0.56 H new ATOM 0 HB3 ARG A 89 -6.133 -9.514 -9.247 1.00 0.56 H new ATOM 0 HG2 ARG A 89 -4.895 -7.873 -10.747 1.00 0.89 H new ATOM 0 HG3 ARG A 89 -4.253 -7.128 -9.297 1.00 0.89 H new ATOM 0 HD2 ARG A 89 -3.799 -9.956 -10.297 1.00 0.88 H new ATOM 0 HD3 ARG A 89 -2.605 -8.697 -10.050 1.00 0.88 H new ATOM 0 HE ARG A 89 -4.117 -9.746 -7.696 1.00 0.60 H new ATOM 0 HH11 ARG A 89 -1.073 -9.297 -9.454 1.00 0.77 H new ATOM 0 HH12 ARG A 89 -0.085 -9.860 -8.102 1.00 0.77 H new ATOM 0 HH21 ARG A 89 -2.825 -10.463 -5.980 1.00 0.81 H new ATOM 0 HH22 ARG A 89 -1.068 -10.514 -6.156 1.00 0.81 H new ATOM 1413 N SER A 90 -8.208 -8.876 -10.833 1.00 0.50 N ATOM 1414 CA SER A 90 -8.755 -9.138 -12.157 1.00 0.59 C ATOM 1415 C SER A 90 -10.153 -9.747 -12.059 1.00 0.57 C ATOM 1416 O SER A 90 -10.347 -10.933 -12.349 1.00 0.88 O ATOM 1417 CB SER A 90 -7.834 -10.079 -12.936 1.00 0.71 C ATOM 1418 OG SER A 90 -6.493 -10.010 -12.462 1.00 1.16 O ATOM 0 H SER A 90 -8.327 -9.641 -10.169 1.00 0.50 H new ATOM 0 HA SER A 90 -8.826 -8.188 -12.686 1.00 0.59 H new ATOM 0 HB2 SER A 90 -8.200 -11.102 -12.848 1.00 0.71 H new ATOM 0 HB3 SER A 90 -7.860 -9.821 -13.995 1.00 0.71 H new ATOM 0 HG SER A 90 -5.931 -10.624 -12.979 1.00 1.16 H new ATOM 1424 N LYS A 91 -11.117 -8.933 -11.650 1.00 0.52 N ATOM 1425 CA LYS A 91 -12.501 -9.374 -11.507 1.00 0.49 C ATOM 1426 C LYS A 91 -13.393 -8.191 -11.148 1.00 0.51 C ATOM 1427 O LYS A 91 -14.318 -7.859 -11.888 1.00 0.59 O ATOM 1428 CB LYS A 91 -12.612 -10.467 -10.435 1.00 0.47 C ATOM 1429 CG LYS A 91 -13.958 -11.173 -10.411 1.00 1.02 C ATOM 1430 CD LYS A 91 -13.913 -12.449 -9.582 1.00 1.09 C ATOM 1431 CE LYS A 91 -13.115 -13.550 -10.271 1.00 1.24 C ATOM 1432 NZ LYS A 91 -13.636 -13.852 -11.631 1.00 1.76 N ATOM 0 H LYS A 91 -10.965 -7.954 -11.409 1.00 0.52 H new ATOM 0 HA LYS A 91 -12.832 -9.791 -12.458 1.00 0.49 H new ATOM 0 HB2 LYS A 91 -11.828 -11.206 -10.601 1.00 0.47 H new ATOM 0 HB3 LYS A 91 -12.429 -10.023 -9.457 1.00 0.47 H new ATOM 0 HG2 LYS A 91 -14.713 -10.501 -10.003 1.00 1.02 H new ATOM 0 HG3 LYS A 91 -14.261 -11.412 -11.430 1.00 1.02 H new ATOM 0 HD2 LYS A 91 -13.470 -12.234 -8.610 1.00 1.09 H new ATOM 0 HD3 LYS A 91 -14.929 -12.798 -9.399 1.00 1.09 H new ATOM 0 HE2 LYS A 91 -12.070 -13.249 -10.342 1.00 1.24 H new ATOM 0 HE3 LYS A 91 -13.146 -14.454 -9.663 1.00 1.24 H new ATOM 0 HZ1 LYS A 91 -13.312 -14.795 -11.925 1.00 1.76 H new ATOM 0 HZ2 LYS A 91 -14.676 -13.832 -11.617 1.00 1.76 H new ATOM 0 HZ3 LYS A 91 -13.285 -13.140 -12.303 1.00 1.76 H new ATOM 1446 N LEU A 92 -13.109 -7.575 -9.998 1.00 0.48 N ATOM 1447 CA LEU A 92 -13.857 -6.409 -9.516 1.00 0.55 C ATOM 1448 C LEU A 92 -15.358 -6.685 -9.463 1.00 0.58 C ATOM 1449 O LEU A 92 -16.176 -5.808 -9.739 1.00 0.72 O ATOM 1450 CB LEU A 92 -13.570 -5.184 -10.398 1.00 0.65 C ATOM 1451 CG LEU A 92 -12.804 -4.044 -9.715 1.00 0.78 C ATOM 1452 CD1 LEU A 92 -13.624 -3.456 -8.577 1.00 0.96 C ATOM 1453 CD2 LEU A 92 -11.458 -4.529 -9.204 1.00 0.90 C ATOM 0 H LEU A 92 -12.356 -7.869 -9.375 1.00 0.48 H new ATOM 0 HA LEU A 92 -13.522 -6.200 -8.500 1.00 0.55 H new ATOM 0 HB2 LEU A 92 -13.001 -5.510 -11.269 1.00 0.65 H new ATOM 0 HB3 LEU A 92 -14.518 -4.792 -10.765 1.00 0.65 H new ATOM 0 HG LEU A 92 -12.628 -3.263 -10.454 1.00 0.78 H new ATOM 0 HD11 LEU A 92 -13.064 -2.649 -8.105 1.00 0.96 H new ATOM 0 HD12 LEU A 92 -14.563 -3.065 -8.969 1.00 0.96 H new ATOM 0 HD13 LEU A 92 -13.833 -4.232 -7.841 1.00 0.96 H new ATOM 0 HD21 LEU A 92 -10.932 -3.704 -8.723 1.00 0.90 H new ATOM 0 HD22 LEU A 92 -11.610 -5.331 -8.482 1.00 0.90 H new ATOM 0 HD23 LEU A 92 -10.864 -4.900 -10.039 1.00 0.90 H new ATOM 1465 N SER A 93 -15.718 -7.907 -9.103 1.00 0.52 N ATOM 1466 CA SER A 93 -17.117 -8.288 -9.004 1.00 0.57 C ATOM 1467 C SER A 93 -17.507 -8.464 -7.540 1.00 0.58 C ATOM 1468 O SER A 93 -17.914 -9.548 -7.112 1.00 0.70 O ATOM 1469 CB SER A 93 -17.367 -9.573 -9.794 1.00 0.62 C ATOM 1470 OG SER A 93 -16.704 -9.532 -11.050 1.00 0.70 O ATOM 0 H SER A 93 -15.060 -8.652 -8.875 1.00 0.52 H new ATOM 0 HA SER A 93 -17.736 -7.498 -9.431 1.00 0.57 H new ATOM 0 HB2 SER A 93 -17.016 -10.431 -9.221 1.00 0.62 H new ATOM 0 HB3 SER A 93 -18.438 -9.708 -9.947 1.00 0.62 H new ATOM 0 HG SER A 93 -16.876 -10.364 -11.538 1.00 0.70 H new ATOM 1476 N LYS A 94 -17.363 -7.391 -6.775 1.00 0.57 N ATOM 1477 CA LYS A 94 -17.683 -7.405 -5.357 1.00 0.60 C ATOM 1478 C LYS A 94 -18.486 -6.166 -4.987 1.00 0.71 C ATOM 1479 O LYS A 94 -18.208 -5.074 -5.483 1.00 0.82 O ATOM 1480 CB LYS A 94 -16.399 -7.452 -4.521 1.00 0.56 C ATOM 1481 CG LYS A 94 -15.742 -8.824 -4.476 1.00 0.73 C ATOM 1482 CD LYS A 94 -14.307 -8.747 -3.967 1.00 0.75 C ATOM 1483 CE LYS A 94 -14.230 -8.153 -2.567 1.00 0.85 C ATOM 1484 NZ LYS A 94 -12.825 -7.972 -2.119 1.00 0.93 N ATOM 0 H LYS A 94 -17.023 -6.493 -7.118 1.00 0.57 H new ATOM 0 HA LYS A 94 -18.278 -8.294 -5.147 1.00 0.60 H new ATOM 0 HB2 LYS A 94 -15.687 -6.732 -4.926 1.00 0.56 H new ATOM 0 HB3 LYS A 94 -16.628 -7.136 -3.503 1.00 0.56 H new ATOM 0 HG2 LYS A 94 -16.322 -9.484 -3.831 1.00 0.73 H new ATOM 0 HG3 LYS A 94 -15.751 -9.264 -5.473 1.00 0.73 H new ATOM 0 HD2 LYS A 94 -13.870 -9.746 -3.962 1.00 0.75 H new ATOM 0 HD3 LYS A 94 -13.712 -8.142 -4.651 1.00 0.75 H new ATOM 0 HE2 LYS A 94 -14.743 -7.191 -2.552 1.00 0.85 H new ATOM 0 HE3 LYS A 94 -14.753 -8.804 -1.867 1.00 0.85 H new ATOM 0 HZ1 LYS A 94 -12.815 -7.550 -1.169 1.00 0.93 H new ATOM 0 HZ2 LYS A 94 -12.347 -8.895 -2.093 1.00 0.93 H new ATOM 0 HZ3 LYS A 94 -12.327 -7.344 -2.782 1.00 0.93 H new ATOM 1498 N PRO A 95 -19.509 -6.322 -4.139 1.00 0.78 N ATOM 1499 CA PRO A 95 -20.336 -5.198 -3.699 1.00 0.92 C ATOM 1500 C PRO A 95 -19.595 -4.327 -2.687 1.00 0.95 C ATOM 1501 O PRO A 95 -18.832 -4.832 -1.862 1.00 1.03 O ATOM 1502 CB PRO A 95 -21.542 -5.877 -3.049 1.00 1.04 C ATOM 1503 CG PRO A 95 -21.040 -7.203 -2.591 1.00 1.05 C ATOM 1504 CD PRO A 95 -19.943 -7.600 -3.545 1.00 0.84 C ATOM 0 HA PRO A 95 -20.608 -4.531 -4.517 1.00 0.92 H new ATOM 0 HB2 PRO A 95 -21.922 -5.289 -2.214 1.00 1.04 H new ATOM 0 HB3 PRO A 95 -22.361 -5.989 -3.759 1.00 1.04 H new ATOM 0 HG2 PRO A 95 -20.663 -7.143 -1.570 1.00 1.05 H new ATOM 0 HG3 PRO A 95 -21.841 -7.942 -2.592 1.00 1.05 H new ATOM 0 HD2 PRO A 95 -19.124 -8.098 -3.027 1.00 0.84 H new ATOM 0 HD3 PRO A 95 -20.306 -8.291 -4.306 1.00 0.84 H new ATOM 1512 N MET A 96 -19.814 -3.022 -2.755 1.00 1.06 N ATOM 1513 CA MET A 96 -19.151 -2.098 -1.848 1.00 1.14 C ATOM 1514 C MET A 96 -20.117 -1.573 -0.794 1.00 1.16 C ATOM 1515 O MET A 96 -19.929 -1.826 0.397 1.00 1.25 O ATOM 1516 CB MET A 96 -18.534 -0.933 -2.629 1.00 1.31 C ATOM 1517 CG MET A 96 -17.807 0.074 -1.749 1.00 1.38 C ATOM 1518 SD MET A 96 -16.844 1.275 -2.696 1.00 1.63 S ATOM 1519 CE MET A 96 -18.137 2.090 -3.628 1.00 1.94 C ATOM 0 H MET A 96 -20.443 -2.581 -3.426 1.00 1.06 H new ATOM 0 HA MET A 96 -18.356 -2.641 -1.338 1.00 1.14 H new ATOM 0 HB2 MET A 96 -17.836 -1.330 -3.366 1.00 1.31 H new ATOM 0 HB3 MET A 96 -19.321 -0.419 -3.181 1.00 1.31 H new ATOM 0 HG2 MET A 96 -18.535 0.604 -1.135 1.00 1.38 H new ATOM 0 HG3 MET A 96 -17.144 -0.459 -1.068 1.00 1.38 H new ATOM 0 HE1 MET A 96 -17.732 2.980 -4.110 1.00 1.94 H new ATOM 0 HE2 MET A 96 -18.522 1.410 -4.388 1.00 1.94 H new ATOM 0 HE3 MET A 96 -18.945 2.377 -2.955 1.00 1.94 H new ATOM 1529 N GLU A 97 -21.153 -0.858 -1.247 1.00 1.14 N ATOM 1530 CA GLU A 97 -22.159 -0.265 -0.359 1.00 1.22 C ATOM 1531 C GLU A 97 -21.549 0.864 0.475 1.00 1.29 C ATOM 1532 O GLU A 97 -20.603 0.661 1.236 1.00 1.36 O ATOM 1533 CB GLU A 97 -22.793 -1.317 0.564 1.00 1.28 C ATOM 1534 CG GLU A 97 -23.917 -0.766 1.426 1.00 1.50 C ATOM 1535 CD GLU A 97 -24.018 -1.472 2.761 1.00 1.97 C ATOM 1536 OE1 GLU A 97 -24.654 -2.547 2.829 1.00 2.57 O ATOM 1537 OE2 GLU A 97 -23.456 -0.960 3.753 1.00 2.38 O ATOM 0 H GLU A 97 -21.317 -0.675 -2.237 1.00 1.14 H new ATOM 0 HA GLU A 97 -22.945 0.146 -0.992 1.00 1.22 H new ATOM 0 HB2 GLU A 97 -23.179 -2.136 -0.043 1.00 1.28 H new ATOM 0 HB3 GLU A 97 -22.021 -1.735 1.210 1.00 1.28 H new ATOM 0 HG2 GLU A 97 -23.755 0.299 1.592 1.00 1.50 H new ATOM 0 HG3 GLU A 97 -24.863 -0.865 0.893 1.00 1.50 H new ATOM 1544 N THR A 98 -22.092 2.061 0.311 1.00 1.31 N ATOM 1545 CA THR A 98 -21.613 3.227 1.041 1.00 1.40 C ATOM 1546 C THR A 98 -22.554 4.415 0.830 1.00 1.39 C ATOM 1547 O THR A 98 -23.512 4.314 0.058 1.00 1.35 O ATOM 1548 CB THR A 98 -20.177 3.603 0.607 1.00 1.43 C ATOM 1549 OG1 THR A 98 -19.606 4.524 1.542 1.00 1.57 O ATOM 1550 CG2 THR A 98 -20.157 4.203 -0.796 1.00 1.37 C ATOM 0 H THR A 98 -22.868 2.251 -0.323 1.00 1.31 H new ATOM 0 HA THR A 98 -21.595 2.974 2.101 1.00 1.40 H new ATOM 0 HB THR A 98 -19.582 2.690 0.590 1.00 1.43 H new ATOM 0 HG1 THR A 98 -18.696 4.755 1.260 1.00 1.57 H new ATOM 0 HG21 THR A 98 -19.132 4.456 -1.069 1.00 1.37 H new ATOM 0 HG22 THR A 98 -20.554 3.479 -1.507 1.00 1.37 H new ATOM 0 HG23 THR A 98 -20.770 5.104 -0.815 1.00 1.37 H new ATOM 1558 N LEU A 99 -22.278 5.525 1.518 1.00 1.46 N ATOM 1559 CA LEU A 99 -23.095 6.735 1.415 1.00 1.48 C ATOM 1560 C LEU A 99 -24.551 6.425 1.742 1.00 1.52 C ATOM 1561 O LEU A 99 -25.461 6.702 0.954 1.00 1.53 O ATOM 1562 CB LEU A 99 -22.977 7.348 0.014 1.00 1.43 C ATOM 1563 CG LEU A 99 -21.595 7.899 -0.344 1.00 1.48 C ATOM 1564 CD1 LEU A 99 -21.540 8.293 -1.813 1.00 1.49 C ATOM 1565 CD2 LEU A 99 -21.253 9.092 0.533 1.00 1.61 C ATOM 0 H LEU A 99 -21.488 5.610 2.157 1.00 1.46 H new ATOM 0 HA LEU A 99 -22.726 7.461 2.139 1.00 1.48 H new ATOM 0 HB2 LEU A 99 -23.249 6.590 -0.720 1.00 1.43 H new ATOM 0 HB3 LEU A 99 -23.706 8.154 -0.075 1.00 1.43 H new ATOM 0 HG LEU A 99 -20.859 7.115 -0.167 1.00 1.48 H new ATOM 0 HD11 LEU A 99 -20.550 8.683 -2.048 1.00 1.49 H new ATOM 0 HD12 LEU A 99 -21.743 7.419 -2.432 1.00 1.49 H new ATOM 0 HD13 LEU A 99 -22.288 9.060 -2.012 1.00 1.49 H new ATOM 0 HD21 LEU A 99 -20.267 9.470 0.264 1.00 1.61 H new ATOM 0 HD22 LEU A 99 -21.995 9.877 0.386 1.00 1.61 H new ATOM 0 HD23 LEU A 99 -21.251 8.786 1.579 1.00 1.61 H new ATOM 1577 N ILE A 100 -24.763 5.839 2.911 1.00 1.60 N ATOM 1578 CA ILE A 100 -26.099 5.471 3.359 1.00 1.68 C ATOM 1579 C ILE A 100 -26.433 6.127 4.691 1.00 1.72 C ATOM 1580 O ILE A 100 -27.354 5.702 5.387 1.00 1.83 O ATOM 1581 CB ILE A 100 -26.238 3.941 3.519 1.00 1.82 C ATOM 1582 CG1 ILE A 100 -25.147 3.400 4.452 1.00 1.79 C ATOM 1583 CG2 ILE A 100 -26.176 3.250 2.164 1.00 1.83 C ATOM 1584 CD1 ILE A 100 -25.399 1.986 4.925 1.00 1.79 C ATOM 0 H ILE A 100 -24.021 5.606 3.571 1.00 1.60 H new ATOM 0 HA ILE A 100 -26.792 5.821 2.594 1.00 1.68 H new ATOM 0 HB ILE A 100 -27.210 3.729 3.964 1.00 1.82 H new ATOM 0 HG12 ILE A 100 -24.188 3.435 3.935 1.00 1.79 H new ATOM 0 HG13 ILE A 100 -25.065 4.055 5.319 1.00 1.79 H new ATOM 0 HG21 ILE A 100 -26.276 2.173 2.300 1.00 1.83 H new ATOM 0 HG22 ILE A 100 -26.987 3.613 1.533 1.00 1.83 H new ATOM 0 HG23 ILE A 100 -25.220 3.469 1.688 1.00 1.83 H new ATOM 0 HD11 ILE A 100 -24.587 1.671 5.580 1.00 1.79 H new ATOM 0 HD12 ILE A 100 -26.341 1.948 5.471 1.00 1.79 H new ATOM 0 HD13 ILE A 100 -25.451 1.318 4.065 1.00 1.79 H new ATOM 1596 N THR A 101 -25.682 7.152 5.052 1.00 1.73 N ATOM 1597 CA THR A 101 -25.908 7.842 6.311 1.00 1.77 C ATOM 1598 C THR A 101 -25.732 9.351 6.156 1.00 1.85 C ATOM 1599 O THR A 101 -24.867 9.814 5.409 1.00 1.80 O ATOM 1600 CB THR A 101 -24.952 7.319 7.403 1.00 1.70 C ATOM 1601 OG1 THR A 101 -24.915 5.885 7.363 1.00 1.85 O ATOM 1602 CG2 THR A 101 -25.400 7.777 8.783 1.00 1.98 C ATOM 0 H THR A 101 -24.913 7.524 4.495 1.00 1.73 H new ATOM 0 HA THR A 101 -26.936 7.641 6.611 1.00 1.77 H new ATOM 0 HB THR A 101 -23.957 7.721 7.211 1.00 1.70 H new ATOM 0 HG1 THR A 101 -24.306 5.554 8.056 1.00 1.85 H new ATOM 0 HG21 THR A 101 -24.710 7.395 9.535 1.00 1.98 H new ATOM 0 HG22 THR A 101 -25.410 8.866 8.819 1.00 1.98 H new ATOM 0 HG23 THR A 101 -26.402 7.398 8.985 1.00 1.98 H new ATOM 1610 N THR A 102 -26.576 10.104 6.846 1.00 2.05 N ATOM 1611 CA THR A 102 -26.530 11.551 6.823 1.00 2.18 C ATOM 1612 C THR A 102 -25.326 12.064 7.616 1.00 2.11 C ATOM 1613 O THR A 102 -25.338 12.065 8.845 1.00 2.23 O ATOM 1614 CB THR A 102 -27.826 12.113 7.426 1.00 2.58 C ATOM 1615 OG1 THR A 102 -28.616 11.025 7.943 1.00 2.89 O ATOM 1616 CG2 THR A 102 -28.629 12.880 6.384 1.00 2.72 C ATOM 0 H THR A 102 -27.313 9.723 7.439 1.00 2.05 H new ATOM 0 HA THR A 102 -26.431 11.884 5.790 1.00 2.18 H new ATOM 0 HB THR A 102 -27.567 12.803 8.229 1.00 2.58 H new ATOM 0 HG1 THR A 102 -29.444 11.377 8.331 1.00 2.89 H new ATOM 0 HG21 THR A 102 -29.541 13.266 6.839 1.00 2.72 H new ATOM 0 HG22 THR A 102 -28.033 13.710 6.004 1.00 2.72 H new ATOM 0 HG23 THR A 102 -28.888 12.213 5.561 1.00 2.72 H new ATOM 1624 N VAL A 103 -24.283 12.482 6.909 1.00 2.05 N ATOM 1625 CA VAL A 103 -23.073 12.980 7.558 1.00 2.08 C ATOM 1626 C VAL A 103 -22.867 14.469 7.285 1.00 2.14 C ATOM 1627 O VAL A 103 -21.796 15.015 7.547 1.00 2.25 O ATOM 1628 CB VAL A 103 -21.821 12.200 7.098 1.00 1.94 C ATOM 1629 CG1 VAL A 103 -21.849 10.778 7.633 1.00 2.09 C ATOM 1630 CG2 VAL A 103 -21.713 12.203 5.582 1.00 1.94 C ATOM 0 H VAL A 103 -24.249 12.487 5.890 1.00 2.05 H new ATOM 0 HA VAL A 103 -23.209 12.830 8.629 1.00 2.08 H new ATOM 0 HB VAL A 103 -20.940 12.699 7.502 1.00 1.94 H new ATOM 0 HG11 VAL A 103 -20.959 10.246 7.298 1.00 2.09 H new ATOM 0 HG12 VAL A 103 -21.870 10.800 8.723 1.00 2.09 H new ATOM 0 HG13 VAL A 103 -22.738 10.267 7.263 1.00 2.09 H new ATOM 0 HG21 VAL A 103 -20.825 11.648 5.279 1.00 1.94 H new ATOM 0 HG22 VAL A 103 -22.598 11.733 5.153 1.00 1.94 H new ATOM 0 HG23 VAL A 103 -21.639 13.230 5.225 1.00 1.94 H new ATOM 1640 N ASP A 104 -23.895 15.117 6.759 1.00 2.18 N ATOM 1641 CA ASP A 104 -23.824 16.541 6.457 1.00 2.30 C ATOM 1642 C ASP A 104 -24.110 17.350 7.711 1.00 2.65 C ATOM 1643 O ASP A 104 -23.696 18.525 7.773 1.00 2.86 O ATOM 1644 CB ASP A 104 -24.816 16.924 5.354 1.00 2.32 C ATOM 1645 CG ASP A 104 -26.261 16.793 5.792 1.00 2.40 C ATOM 1646 OD1 ASP A 104 -26.785 15.657 5.795 1.00 2.54 O ATOM 1647 OD2 ASP A 104 -26.884 17.823 6.127 1.00 2.82 O ATOM 0 H ASP A 104 -24.789 14.681 6.532 1.00 2.18 H new ATOM 0 HA ASP A 104 -22.818 16.762 6.101 1.00 2.30 H new ATOM 0 HB2 ASP A 104 -24.627 17.951 5.043 1.00 2.32 H new ATOM 0 HB3 ASP A 104 -24.646 16.291 4.483 1.00 2.32 H new