USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1214 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 1 MET N :NH3+ 165:sc= 0 (180deg=0) USER MOD Set 1.2: B 1 MET CE :methyl 145:sc= -0.146 (180deg=-0.445) USER MOD Set 1.3: B 62 THR OG1 : rot 31:sc= 0.263! USER MOD Set 2.1: A 1 MET CE :methyl 130:sc= -0.15 (180deg=-0.43) USER MOD Set 2.2: A 62 THR OG1 : rot 30:sc= 0.122! USER MOD Set 2.3: B 1 MET N :NH3+ 160:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.248) USER MOD Single : A 7 LYS NZ :NH3+ -143:sc= -0.771! (180deg=-2.79!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.26! C(o=-3.3!,f=-8.7!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -5.02! C(o=-5!,f=-5.5!) USER MOD Single : A 31 GLN : amide:sc= -7.74! C(o=-7.7!,f=-11!) USER MOD Single : A 33 CYS SG : rot 130:sc= -5.77! USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -4.21! C(o=-4.2!,f=-6.3!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0833 X(o=-0.083,f=-0.38) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.744 K(o=-0.74,f=-4.2!) USER MOD Single : A 56 TYR OH : rot 30:sc= -0.485 USER MOD Single : A 61 TYR OH : rot 17:sc= 0.0406 USER MOD Single : A 64 HIS : no HD1:sc= -0.913 K(o=-0.91,f=-4!) USER MOD Single : A 66 SER OG : rot 150:sc= -1.54! USER MOD Single : A 67 SER OG : rot -132:sc= -1.47! USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -4.68! C(o=-4.7!,f=-4.8!) USER MOD Single : A 75 SER OG : rot -1:sc= 0.938 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc=-0.000308 (180deg=-0.119) USER MOD Single : B 3 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.19) USER MOD Single : B 7 LYS NZ :NH3+ -146:sc= -0.546 (180deg=-2.67!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -3.31! C(o=-3.3!,f=-9.5!) USER MOD Single : B 12 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 ASN : amide:sc= -5! C(o=-5!,f=-5.4!) USER MOD Single : B 31 GLN : amide:sc= -7.62! C(o=-7.6!,f=-11!) USER MOD Single : B 33 CYS SG : rot 130:sc= -5.76! USER MOD Single : B 34 TYR OH : rot 180:sc=-0.00108 USER MOD Single : B 39 ASN : amide:sc= -4.21! C(o=-4.2!,f=-6.4!) USER MOD Single : B 41 HIS : no HD1:sc= -0.0896 X(o=-0.09,f=-0.53) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 180:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.682 K(o=-0.68,f=-4!) USER MOD Single : B 56 TYR OH : rot 30:sc= -0.619 USER MOD Single : B 61 TYR OH : rot 17:sc= 0.0232 USER MOD Single : B 64 HIS : no HD1:sc= -0.971 K(o=-0.97,f=-4.3!) USER MOD Single : B 66 SER OG : rot 150:sc= -1.57! USER MOD Single : B 67 SER OG : rot -126:sc= -1.57! USER MOD Single : B 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 72 GLN : amide:sc= -4.86! C(o=-4.9!,f=-4.6!) USER MOD Single : B 75 SER OG : rot -7:sc= 0.923 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.156) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.897 16.988 1.544 1.00 42.32 N ATOM 2 CA MET A 1 -0.527 16.763 2.088 1.00 40.89 C ATOM 3 C MET A 1 -0.605 15.840 3.302 1.00 34.75 C ATOM 4 O MET A 1 -1.140 16.202 4.331 1.00 33.97 O ATOM 5 CB MET A 1 0.082 18.103 2.513 1.00 48.45 C ATOM 6 CG MET A 1 1.351 17.859 3.338 1.00 56.13 C ATOM 7 SD MET A 1 2.644 19.006 2.797 1.00 64.91 S ATOM 8 CE MET A 1 3.314 17.980 1.465 1.00 63.43 C ATOM 0 H1 MET A 1 -1.883 17.799 0.893 1.00 42.32 H new ATOM 0 H2 MET A 1 -2.211 16.139 1.033 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.553 17.184 2.327 1.00 42.32 H new ATOM 0 HA MET A 1 0.095 16.305 1.319 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.319 18.701 1.633 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.640 18.671 3.099 1.00 48.45 H new ATOM 0 HG2 MET A 1 1.143 18.001 4.398 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.687 16.829 3.215 1.00 56.13 H new ATOM 0 HE1 MET A 1 3.389 18.572 0.553 1.00 63.43 H new ATOM 0 HE2 MET A 1 4.303 17.619 1.746 1.00 63.43 H new ATOM 0 HE3 MET A 1 2.654 17.130 1.293 1.00 63.43 H new ATOM 20 N ILE A 2 -0.066 14.657 3.198 1.00 28.59 N ATOM 21 CA ILE A 2 -0.102 13.727 4.360 1.00 24.58 C ATOM 22 C ILE A 2 0.608 14.409 5.529 1.00 19.29 C ATOM 23 O ILE A 2 1.798 14.262 5.726 1.00 19.53 O ATOM 24 CB ILE A 2 0.600 12.417 3.984 1.00 25.10 C ATOM 25 CG1 ILE A 2 0.107 11.955 2.612 1.00 28.92 C ATOM 26 CG2 ILE A 2 0.281 11.333 5.013 1.00 23.06 C ATOM 27 CD1 ILE A 2 1.300 11.564 1.751 1.00 33.80 C ATOM 0 H ILE A 2 0.395 14.296 2.363 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.128 13.492 4.643 1.00 24.58 H new ATOM 0 HB ILE A 2 1.676 12.588 3.961 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -0.569 11.107 2.723 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -0.458 12.752 2.129 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.785 10.408 4.735 1.00 23.06 H new ATOM 0 HG22 ILE A 2 0.625 11.652 5.997 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -0.796 11.165 5.042 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.950 11.234 0.773 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.959 12.424 1.630 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.846 10.753 2.233 1.00 33.80 H new ATOM 39 N LYS A 3 -0.121 15.191 6.280 1.00 18.14 N ATOM 40 CA LYS A 3 0.487 15.939 7.417 1.00 16.66 C ATOM 41 C LYS A 3 1.032 14.991 8.477 1.00 14.94 C ATOM 42 O LYS A 3 0.640 13.846 8.574 1.00 13.94 O ATOM 43 CB LYS A 3 -0.565 16.852 8.046 1.00 16.94 C ATOM 44 CG LYS A 3 -0.345 18.289 7.571 1.00 17.85 C ATOM 45 CD LYS A 3 0.116 19.152 8.747 1.00 19.63 C ATOM 46 CE LYS A 3 -0.176 20.623 8.446 1.00 26.28 C ATOM 47 NZ LYS A 3 0.553 21.032 7.213 1.00 32.72 N ATOM 0 H LYS A 3 -1.121 15.344 6.152 1.00 18.14 H new ATOM 0 HA LYS A 3 1.316 16.531 7.030 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -1.565 16.516 7.771 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -0.501 16.803 9.133 1.00 16.94 H new ATOM 0 HG2 LYS A 3 0.401 18.310 6.777 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.268 18.690 7.152 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -0.398 18.847 9.659 1.00 19.63 H new ATOM 0 HD3 LYS A 3 1.183 19.010 8.920 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -1.248 20.772 8.314 1.00 26.28 H new ATOM 0 HE3 LYS A 3 0.132 21.245 9.286 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 0.611 22.070 7.172 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 1.513 20.632 7.228 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 0.045 20.681 6.376 1.00 32.72 H new ATOM 61 N VAL A 4 1.941 15.482 9.276 1.00 12.42 N ATOM 62 CA VAL A 4 2.538 14.643 10.345 1.00 12.99 C ATOM 63 C VAL A 4 3.165 15.543 11.414 1.00 14.26 C ATOM 64 O VAL A 4 3.334 16.731 11.226 1.00 13.80 O ATOM 65 CB VAL A 4 3.619 13.742 9.741 1.00 12.94 C ATOM 66 CG1 VAL A 4 4.222 12.851 10.828 1.00 14.46 C ATOM 67 CG2 VAL A 4 3.012 12.868 8.641 1.00 10.41 C ATOM 0 H VAL A 4 2.296 16.437 9.230 1.00 12.42 H new ATOM 0 HA VAL A 4 1.761 14.028 10.799 1.00 12.99 H new ATOM 0 HB VAL A 4 4.403 14.367 9.313 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.990 12.213 10.391 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.666 13.474 11.604 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.440 12.230 11.265 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.786 12.229 8.215 1.00 10.41 H new ATOM 0 HG22 VAL A 4 2.222 12.248 9.064 1.00 10.41 H new ATOM 0 HG23 VAL A 4 2.596 13.504 7.860 1.00 10.41 H new ATOM 77 N GLU A 5 3.505 14.974 12.535 1.00 9.27 N ATOM 78 CA GLU A 5 4.121 15.764 13.637 1.00 10.51 C ATOM 79 C GLU A 5 5.015 14.852 14.457 1.00 10.00 C ATOM 80 O GLU A 5 4.556 14.053 15.249 1.00 10.96 O ATOM 81 CB GLU A 5 3.022 16.342 14.525 1.00 10.42 C ATOM 82 CG GLU A 5 2.562 17.669 13.932 1.00 18.68 C ATOM 83 CD GLU A 5 1.646 18.387 14.923 1.00 18.63 C ATOM 84 OE1 GLU A 5 2.063 18.581 16.053 1.00 22.12 O ATOM 85 OE2 GLU A 5 0.542 18.733 14.536 1.00 19.38 O ATOM 0 H GLU A 5 3.381 13.982 12.738 1.00 9.27 H new ATOM 0 HA GLU A 5 4.712 16.581 13.222 1.00 10.51 H new ATOM 0 HB2 GLU A 5 2.185 15.647 14.591 1.00 10.42 H new ATOM 0 HB3 GLU A 5 3.394 16.490 15.539 1.00 10.42 H new ATOM 0 HG2 GLU A 5 3.425 18.294 13.701 1.00 18.68 H new ATOM 0 HG3 GLU A 5 2.034 17.496 12.994 1.00 18.68 H new ATOM 92 N ILE A 6 6.293 14.964 14.273 1.00 9.86 N ATOM 93 CA ILE A 6 7.220 14.100 15.054 1.00 10.60 C ATOM 94 C ILE A 6 7.198 14.575 16.515 1.00 10.16 C ATOM 95 O ILE A 6 7.737 15.610 16.853 1.00 11.64 O ATOM 96 CB ILE A 6 8.638 14.170 14.448 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.792 13.038 13.430 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.699 14.001 15.532 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.476 13.558 12.028 1.00 13.81 C ATOM 0 H ILE A 6 6.738 15.610 13.621 1.00 9.86 H new ATOM 0 HA ILE A 6 6.906 13.057 15.016 1.00 10.60 H new ATOM 0 HB ILE A 6 8.771 15.142 13.973 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.808 12.644 13.461 1.00 14.23 H new ATOM 0 HG13 ILE A 6 8.123 12.216 13.683 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.690 14.054 15.082 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.593 14.795 16.271 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.572 13.034 16.018 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.587 12.749 11.306 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.452 13.931 12.000 1.00 13.81 H new ATOM 0 HD13 ILE A 6 9.163 14.366 11.776 1.00 13.81 H new ATOM 111 N LYS A 7 6.554 13.827 17.377 1.00 11.63 N ATOM 112 CA LYS A 7 6.462 14.225 18.809 1.00 11.59 C ATOM 113 C LYS A 7 7.842 14.638 19.327 1.00 12.98 C ATOM 114 O LYS A 7 8.831 14.494 18.636 1.00 9.79 O ATOM 115 CB LYS A 7 5.942 13.034 19.619 1.00 12.52 C ATOM 116 CG LYS A 7 4.495 13.288 20.065 1.00 14.26 C ATOM 117 CD LYS A 7 3.687 13.905 18.922 1.00 15.70 C ATOM 118 CE LYS A 7 3.308 15.340 19.279 1.00 19.19 C ATOM 119 NZ LYS A 7 2.842 15.396 20.694 1.00 25.43 N ATOM 0 H LYS A 7 6.086 12.951 17.144 1.00 11.63 H new ATOM 0 HA LYS A 7 5.782 15.070 18.912 1.00 11.59 H new ATOM 0 HB2 LYS A 7 5.991 12.126 19.017 1.00 12.52 H new ATOM 0 HB3 LYS A 7 6.576 12.873 20.491 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.035 12.352 20.380 1.00 14.26 H new ATOM 0 HG3 LYS A 7 4.485 13.954 20.927 1.00 14.26 H new ATOM 0 HD2 LYS A 7 4.271 13.891 18.002 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.788 13.316 18.739 1.00 15.70 H new ATOM 0 HE2 LYS A 7 4.166 15.998 19.142 1.00 19.19 H new ATOM 0 HE3 LYS A 7 2.523 15.696 18.612 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 2.061 16.078 20.776 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.512 14.455 20.988 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 3.628 15.695 21.307 1.00 25.43 H new ATOM 133 N PRO A 8 7.864 15.136 20.539 1.00 13.56 N ATOM 134 CA PRO A 8 9.108 15.576 21.191 1.00 11.93 C ATOM 135 C PRO A 8 9.900 14.359 21.665 1.00 10.20 C ATOM 136 O PRO A 8 11.099 14.413 21.852 1.00 12.05 O ATOM 137 CB PRO A 8 8.620 16.420 22.371 1.00 12.78 C ATOM 138 CG PRO A 8 7.170 15.966 22.661 1.00 12.51 C ATOM 139 CD PRO A 8 6.653 15.301 21.371 1.00 13.61 C ATOM 0 HA PRO A 8 9.773 16.137 20.534 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.256 16.272 23.244 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.654 17.482 22.129 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.142 15.266 23.496 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.545 16.816 22.937 1.00 12.51 H new ATOM 0 HD2 PRO A 8 6.179 14.342 21.580 1.00 13.61 H new ATOM 0 HD3 PRO A 8 5.909 15.923 20.873 1.00 13.61 H new ATOM 147 N SER A 9 9.231 13.259 21.845 1.00 10.65 N ATOM 148 CA SER A 9 9.927 12.022 22.291 1.00 10.83 C ATOM 149 C SER A 9 10.149 11.107 21.083 1.00 10.94 C ATOM 150 O SER A 9 10.571 9.976 21.218 1.00 13.16 O ATOM 151 CB SER A 9 9.069 11.298 23.330 1.00 13.01 C ATOM 152 OG SER A 9 9.463 11.709 24.633 1.00 15.52 O ATOM 0 H SER A 9 8.226 13.161 21.702 1.00 10.65 H new ATOM 0 HA SER A 9 10.888 12.282 22.736 1.00 10.83 H new ATOM 0 HB2 SER A 9 8.015 11.523 23.168 1.00 13.01 H new ATOM 0 HB3 SER A 9 9.184 10.219 23.226 1.00 13.01 H new ATOM 0 HG SER A 9 8.914 11.248 25.301 1.00 15.52 H new ATOM 158 N GLN A 10 9.869 11.590 19.900 1.00 10.02 N ATOM 159 CA GLN A 10 10.064 10.751 18.687 1.00 11.55 C ATOM 160 C GLN A 10 10.965 11.490 17.698 1.00 13.72 C ATOM 161 O GLN A 10 10.777 11.414 16.501 1.00 17.31 O ATOM 162 CB GLN A 10 8.715 10.481 18.023 1.00 6.60 C ATOM 163 CG GLN A 10 7.663 10.209 19.093 1.00 7.20 C ATOM 164 CD GLN A 10 7.798 8.769 19.591 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.668 8.042 19.153 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.970 8.323 20.496 1.00 4.80 N ATOM 0 H GLN A 10 9.514 12.530 19.725 1.00 10.02 H new ATOM 0 HA GLN A 10 10.525 9.806 18.976 1.00 11.55 H new ATOM 0 HB2 GLN A 10 8.419 11.337 17.417 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.794 9.627 17.351 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.786 10.905 19.923 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.665 10.372 18.686 1.00 7.20 H new ATOM 0 HE21 GLN A 10 6.240 8.933 20.864 1.00 4.80 H new ATOM 0 HE22 GLN A 10 7.053 7.365 20.835 1.00 4.80 H new ATOM 175 N ALA A 11 11.934 12.216 18.183 1.00 15.28 N ATOM 176 CA ALA A 11 12.832 12.967 17.258 1.00 18.95 C ATOM 177 C ALA A 11 14.208 12.299 17.201 1.00 20.75 C ATOM 178 O ALA A 11 15.173 12.888 16.756 1.00 24.78 O ATOM 179 CB ALA A 11 12.985 14.406 17.755 1.00 17.72 C ATOM 0 H ALA A 11 12.143 12.322 19.176 1.00 15.28 H new ATOM 0 HA ALA A 11 12.395 12.966 16.259 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.641 14.956 17.080 1.00 17.72 H new ATOM 0 HB2 ALA A 11 12.007 14.887 17.783 1.00 17.72 H new ATOM 0 HB3 ALA A 11 13.416 14.401 18.756 1.00 17.72 H new ATOM 185 N GLN A 12 14.310 11.077 17.643 1.00 22.50 N ATOM 186 CA GLN A 12 15.619 10.381 17.609 1.00 25.43 C ATOM 187 C GLN A 12 15.397 8.937 17.134 1.00 22.80 C ATOM 188 O GLN A 12 14.538 8.237 17.632 1.00 20.93 O ATOM 189 CB GLN A 12 16.225 10.404 19.020 1.00 30.18 C ATOM 190 CG GLN A 12 17.063 9.150 19.253 1.00 42.11 C ATOM 191 CD GLN A 12 18.031 9.385 20.415 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.654 9.929 21.434 1.00 46.27 O ATOM 193 NE2 GLN A 12 19.272 8.995 20.304 1.00 47.90 N ATOM 0 H GLN A 12 13.539 10.531 18.027 1.00 22.50 H new ATOM 0 HA GLN A 12 16.306 10.876 16.922 1.00 25.43 H new ATOM 0 HB2 GLN A 12 16.844 11.292 19.143 1.00 30.18 H new ATOM 0 HB3 GLN A 12 15.431 10.463 19.764 1.00 30.18 H new ATOM 0 HG2 GLN A 12 16.414 8.303 19.474 1.00 42.11 H new ATOM 0 HG3 GLN A 12 17.618 8.899 18.349 1.00 42.11 H new ATOM 0 HE21 GLN A 12 19.588 8.538 19.449 1.00 47.90 H new ATOM 0 HE22 GLN A 12 19.925 9.147 21.073 1.00 47.90 H new ATOM 202 N PHE A 13 16.156 8.490 16.170 1.00 21.61 N ATOM 203 CA PHE A 13 15.976 7.106 15.665 1.00 20.51 C ATOM 204 C PHE A 13 16.587 6.097 16.630 1.00 18.83 C ATOM 205 O PHE A 13 16.998 6.428 17.725 1.00 18.83 O ATOM 206 CB PHE A 13 16.653 6.969 14.302 1.00 19.56 C ATOM 207 CG PHE A 13 18.064 7.538 14.342 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.718 7.790 15.561 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.720 7.807 13.135 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.017 8.307 15.562 1.00 20.75 C ATOM 211 CE2 PHE A 13 20.019 8.322 13.141 1.00 14.07 C ATOM 212 CZ PHE A 13 20.666 8.571 14.353 1.00 18.48 C ATOM 0 H PHE A 13 16.893 9.027 15.712 1.00 21.61 H new ATOM 0 HA PHE A 13 14.908 6.906 15.575 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.687 5.919 14.011 1.00 19.56 H new ATOM 0 HB3 PHE A 13 16.067 7.490 13.545 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.217 7.584 16.496 1.00 20.50 H new ATOM 0 HD2 PHE A 13 18.221 7.616 12.197 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.519 8.502 16.498 1.00 20.75 H new ATOM 0 HE2 PHE A 13 20.523 8.527 12.208 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.670 8.968 14.356 1.00 18.48 H new ATOM 222 N THR A 14 16.662 4.869 16.217 1.00 14.89 N ATOM 223 CA THR A 14 17.263 3.826 17.087 1.00 13.37 C ATOM 224 C THR A 14 18.048 2.842 16.224 1.00 11.97 C ATOM 225 O THR A 14 17.539 2.293 15.267 1.00 10.76 O ATOM 226 CB THR A 14 16.164 3.081 17.843 1.00 13.68 C ATOM 227 OG1 THR A 14 14.899 3.397 17.277 1.00 13.48 O ATOM 228 CG2 THR A 14 16.191 3.503 19.308 1.00 9.24 C ATOM 0 H THR A 14 16.332 4.539 15.310 1.00 14.89 H new ATOM 0 HA THR A 14 17.932 4.298 17.807 1.00 13.37 H new ATOM 0 HB THR A 14 16.331 2.006 17.769 1.00 13.68 H new ATOM 0 HG1 THR A 14 14.195 2.917 17.761 1.00 13.48 H new ATOM 0 HG21 THR A 14 15.409 2.975 19.853 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.162 3.259 19.739 1.00 9.24 H new ATOM 0 HG23 THR A 14 16.022 4.577 19.380 1.00 9.24 H new ATOM 236 N THR A 15 19.287 2.616 16.555 1.00 13.20 N ATOM 237 CA THR A 15 20.110 1.671 15.754 1.00 12.54 C ATOM 238 C THR A 15 19.911 0.251 16.285 1.00 14.34 C ATOM 239 O THR A 15 20.315 -0.073 17.384 1.00 17.35 O ATOM 240 CB THR A 15 21.586 2.057 15.868 1.00 11.88 C ATOM 241 OG1 THR A 15 21.692 3.455 16.095 1.00 17.15 O ATOM 242 CG2 THR A 15 22.311 1.692 14.573 1.00 8.30 C ATOM 0 H THR A 15 19.766 3.045 17.347 1.00 13.20 H new ATOM 0 HA THR A 15 19.804 1.716 14.709 1.00 12.54 H new ATOM 0 HB THR A 15 22.040 1.519 16.700 1.00 11.88 H new ATOM 0 HG1 THR A 15 22.637 3.704 16.170 1.00 17.15 H new ATOM 0 HG21 THR A 15 23.363 1.967 14.655 1.00 8.30 H new ATOM 0 HG22 THR A 15 22.229 0.619 14.400 1.00 8.30 H new ATOM 0 HG23 THR A 15 21.859 2.229 13.739 1.00 8.30 H new ATOM 435 N LEU A 28 20.005 -0.410 10.716 1.00 18.57 N ATOM 436 CA LEU A 28 19.316 0.837 10.279 1.00 16.31 C ATOM 437 C LEU A 28 18.735 1.571 11.491 1.00 14.21 C ATOM 438 O LEU A 28 18.516 0.992 12.536 1.00 16.97 O ATOM 439 CB LEU A 28 18.189 0.476 9.312 1.00 16.48 C ATOM 440 CG LEU A 28 18.369 1.249 8.006 1.00 22.19 C ATOM 441 CD1 LEU A 28 18.432 0.264 6.836 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.186 2.200 7.811 1.00 22.01 C ATOM 0 HA LEU A 28 20.035 1.489 9.783 1.00 16.31 H new ATOM 0 HB2 LEU A 28 18.194 -0.596 9.116 1.00 16.48 H new ATOM 0 HB3 LEU A 28 17.223 0.714 9.758 1.00 16.48 H new ATOM 0 HG LEU A 28 19.294 1.824 8.047 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.560 0.814 5.904 1.00 24.00 H new ATOM 0 HD12 LEU A 28 19.274 -0.414 6.976 1.00 24.00 H new ATOM 0 HD13 LEU A 28 17.507 -0.310 6.794 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.313 2.752 6.880 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.261 1.626 7.769 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.141 2.900 8.645 1.00 22.01 H new ATOM 454 N ASN A 29 18.483 2.844 11.351 1.00 11.64 N ATOM 455 CA ASN A 29 17.913 3.630 12.485 1.00 9.77 C ATOM 456 C ASN A 29 16.403 3.789 12.275 1.00 7.94 C ATOM 457 O ASN A 29 15.965 4.381 11.309 1.00 10.52 O ATOM 458 CB ASN A 29 18.558 5.023 12.544 1.00 14.73 C ATOM 459 CG ASN A 29 19.777 5.089 11.617 1.00 17.90 C ATOM 460 OD1 ASN A 29 20.568 4.167 11.570 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.962 6.146 10.874 1.00 12.89 N ATOM 0 H ASN A 29 18.648 3.377 10.497 1.00 11.64 H new ATOM 0 HA ASN A 29 18.113 3.104 13.418 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.830 5.780 12.252 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.859 5.248 13.567 1.00 14.73 H new ATOM 0 HD21 ASN A 29 20.770 6.198 10.254 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.298 6.920 10.913 1.00 12.89 H new ATOM 468 N GLU A 30 15.603 3.271 13.167 1.00 8.58 N ATOM 469 CA GLU A 30 14.126 3.407 13.006 1.00 13.16 C ATOM 470 C GLU A 30 13.674 4.731 13.624 1.00 12.26 C ATOM 471 O GLU A 30 14.481 5.538 14.038 1.00 10.58 O ATOM 472 CB GLU A 30 13.425 2.246 13.715 1.00 14.93 C ATOM 473 CG GLU A 30 12.901 1.255 12.674 1.00 27.13 C ATOM 474 CD GLU A 30 13.777 0.001 12.677 1.00 33.28 C ATOM 475 OE1 GLU A 30 13.834 -0.655 13.705 1.00 38.01 O ATOM 476 OE2 GLU A 30 14.376 -0.283 11.653 1.00 40.03 O ATOM 0 H GLU A 30 15.906 2.761 13.997 1.00 8.58 H new ATOM 0 HA GLU A 30 13.869 3.390 11.947 1.00 13.16 H new ATOM 0 HB2 GLU A 30 14.119 1.747 14.391 1.00 14.93 H new ATOM 0 HB3 GLU A 30 12.602 2.621 14.323 1.00 14.93 H new ATOM 0 HG2 GLU A 30 11.867 0.990 12.897 1.00 27.13 H new ATOM 0 HG3 GLU A 30 12.907 1.713 11.685 1.00 27.13 H new ATOM 483 N GLN A 31 12.392 4.964 13.691 1.00 10.34 N ATOM 484 CA GLN A 31 11.899 6.241 14.287 1.00 9.46 C ATOM 485 C GLN A 31 10.374 6.210 14.400 1.00 10.09 C ATOM 486 O GLN A 31 9.742 5.195 14.186 1.00 9.36 O ATOM 487 CB GLN A 31 12.309 7.418 13.396 1.00 7.25 C ATOM 488 CG GLN A 31 12.724 8.606 14.268 1.00 10.62 C ATOM 489 CD GLN A 31 11.773 9.778 14.017 1.00 8.77 C ATOM 490 OE1 GLN A 31 10.760 9.624 13.365 1.00 8.56 O ATOM 491 NE2 GLN A 31 12.059 10.953 14.508 1.00 12.39 N ATOM 0 H GLN A 31 11.666 4.329 13.360 1.00 10.34 H new ATOM 0 HA GLN A 31 12.336 6.358 15.279 1.00 9.46 H new ATOM 0 HB2 GLN A 31 13.134 7.125 12.747 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.480 7.702 12.748 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.701 8.324 15.321 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.748 8.899 14.039 1.00 10.62 H new ATOM 0 HE21 GLN A 31 12.909 11.084 15.056 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.432 11.741 14.344 1.00 12.39 H new ATOM 500 N LEU A 32 9.781 7.325 14.734 1.00 6.80 N ATOM 501 CA LEU A 32 8.298 7.380 14.861 1.00 10.34 C ATOM 502 C LEU A 32 7.804 8.755 14.408 1.00 9.02 C ATOM 503 O LEU A 32 8.581 9.664 14.193 1.00 11.15 O ATOM 504 CB LEU A 32 7.902 7.149 16.321 1.00 10.20 C ATOM 505 CG LEU A 32 8.228 5.709 16.717 1.00 16.38 C ATOM 506 CD1 LEU A 32 9.556 5.678 17.478 1.00 17.42 C ATOM 507 CD2 LEU A 32 7.113 5.163 17.613 1.00 15.89 C ATOM 0 H LEU A 32 10.263 8.203 14.925 1.00 6.80 H new ATOM 0 HA LEU A 32 7.848 6.607 14.238 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.436 7.845 16.968 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.838 7.342 16.455 1.00 10.20 H new ATOM 0 HG LEU A 32 8.309 5.094 15.821 1.00 16.38 H new ATOM 0 HD11 LEU A 32 9.789 4.652 17.761 1.00 17.42 H new ATOM 0 HD12 LEU A 32 10.350 6.068 16.841 1.00 17.42 H new ATOM 0 HD13 LEU A 32 9.476 6.292 18.375 1.00 17.42 H new ATOM 0 HD21 LEU A 32 7.344 4.136 17.896 1.00 15.89 H new ATOM 0 HD22 LEU A 32 7.033 5.778 18.510 1.00 15.89 H new ATOM 0 HD23 LEU A 32 6.167 5.186 17.072 1.00 15.89 H new ATOM 519 N CYS A 33 6.518 8.916 14.260 1.00 9.68 N ATOM 520 CA CYS A 33 5.972 10.229 13.820 1.00 8.10 C ATOM 521 C CYS A 33 4.461 10.210 14.025 1.00 6.34 C ATOM 522 O CYS A 33 3.874 9.172 14.252 1.00 8.02 O ATOM 523 CB CYS A 33 6.278 10.488 12.333 1.00 8.88 C ATOM 524 SG CYS A 33 7.033 9.032 11.553 1.00 13.84 S ATOM 0 H CYS A 33 5.820 8.191 14.426 1.00 9.68 H new ATOM 0 HA CYS A 33 6.437 11.023 14.405 1.00 8.10 H new ATOM 0 HB2 CYS A 33 5.358 10.748 11.810 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.949 11.342 12.241 1.00 8.88 H new ATOM 0 HG CYS A 33 6.400 8.752 10.452 1.00 13.84 H new ATOM 530 N TYR A 34 3.822 11.340 13.949 1.00 7.35 N ATOM 531 CA TYR A 34 2.349 11.366 14.147 1.00 7.08 C ATOM 532 C TYR A 34 1.673 11.882 12.878 1.00 7.71 C ATOM 533 O TYR A 34 1.676 13.065 12.609 1.00 7.80 O ATOM 534 CB TYR A 34 2.016 12.300 15.303 1.00 8.67 C ATOM 535 CG TYR A 34 2.177 11.581 16.623 1.00 9.11 C ATOM 536 CD1 TYR A 34 1.101 10.871 17.175 1.00 12.44 C ATOM 537 CD2 TYR A 34 3.392 11.653 17.308 1.00 13.61 C ATOM 538 CE1 TYR A 34 1.241 10.241 18.411 1.00 16.38 C ATOM 539 CE2 TYR A 34 3.533 11.016 18.544 1.00 17.22 C ATOM 540 CZ TYR A 34 2.455 10.314 19.095 1.00 16.83 C ATOM 541 OH TYR A 34 2.593 9.690 20.318 1.00 21.14 O ATOM 0 H TYR A 34 4.254 12.244 13.759 1.00 7.35 H new ATOM 0 HA TYR A 34 1.993 10.360 14.368 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.669 13.172 15.274 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.994 12.664 15.202 1.00 8.67 H new ATOM 0 HD1 TYR A 34 0.163 10.812 16.642 1.00 12.44 H new ATOM 0 HD2 TYR A 34 4.221 12.200 16.883 1.00 13.61 H new ATOM 0 HE1 TYR A 34 0.411 9.697 18.838 1.00 16.38 H new ATOM 0 HE2 TYR A 34 4.473 11.065 19.073 1.00 17.22 H new ATOM 0 HH TYR A 34 3.500 9.837 20.660 1.00 21.14 H new ATOM 551 N VAL A 35 1.095 11.013 12.093 1.00 9.44 N ATOM 552 CA VAL A 35 0.431 11.480 10.846 1.00 10.66 C ATOM 553 C VAL A 35 -1.001 11.918 11.141 1.00 10.57 C ATOM 554 O VAL A 35 -1.685 11.350 11.969 1.00 8.31 O ATOM 555 CB VAL A 35 0.418 10.363 9.805 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.480 10.778 8.636 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.843 10.133 9.297 1.00 9.86 C ATOM 0 H VAL A 35 1.055 10.008 12.261 1.00 9.44 H new ATOM 0 HA VAL A 35 0.991 12.329 10.455 1.00 10.66 H new ATOM 0 HB VAL A 35 0.037 9.444 10.251 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.494 9.985 7.889 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.493 10.952 8.999 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.093 11.693 8.187 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.840 9.336 8.553 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.221 11.050 8.845 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.485 9.849 10.131 1.00 9.86 H new ATOM 567 N ASP A 36 -1.454 12.926 10.453 1.00 8.58 N ATOM 568 CA ASP A 36 -2.834 13.423 10.655 1.00 11.48 C ATOM 569 C ASP A 36 -3.530 13.507 9.294 1.00 12.38 C ATOM 570 O ASP A 36 -3.357 12.649 8.453 1.00 11.89 O ATOM 571 CB ASP A 36 -2.787 14.806 11.306 1.00 16.17 C ATOM 572 CG ASP A 36 -1.908 14.752 12.557 1.00 17.97 C ATOM 573 OD1 ASP A 36 -0.730 14.467 12.417 1.00 25.89 O ATOM 574 OD2 ASP A 36 -2.427 14.997 13.633 1.00 15.67 O ATOM 0 H ASP A 36 -0.916 13.432 9.750 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.386 12.746 11.307 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.391 15.538 10.602 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.794 15.130 11.570 1.00 16.17 H new ATOM 579 N LEU A 37 -4.312 14.528 9.061 1.00 13.17 N ATOM 580 CA LEU A 37 -5.001 14.640 7.746 1.00 18.47 C ATOM 581 C LEU A 37 -6.047 13.540 7.633 1.00 21.14 C ATOM 582 O LEU A 37 -7.233 13.796 7.558 1.00 24.24 O ATOM 583 CB LEU A 37 -3.983 14.483 6.628 1.00 15.81 C ATOM 584 CG LEU A 37 -4.349 15.439 5.504 1.00 20.59 C ATOM 585 CD1 LEU A 37 -5.820 15.240 5.126 1.00 14.72 C ATOM 586 CD2 LEU A 37 -4.131 16.879 5.974 1.00 20.01 C ATOM 0 H LEU A 37 -4.501 15.283 9.720 1.00 13.17 H new ATOM 0 HA LEU A 37 -5.483 15.615 7.666 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -2.980 14.698 6.996 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -3.976 13.456 6.264 1.00 15.81 H new ATOM 0 HG LEU A 37 -3.722 15.241 4.635 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -6.084 15.925 4.320 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -5.975 14.213 4.795 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -6.449 15.440 5.993 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -4.392 17.568 5.170 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -4.760 17.078 6.841 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -3.085 17.019 6.245 1.00 20.01 H new ATOM 598 N GLY A 38 -5.615 12.313 7.643 1.00 20.70 N ATOM 599 CA GLY A 38 -6.575 11.184 7.561 1.00 23.91 C ATOM 600 C GLY A 38 -7.064 10.857 8.971 1.00 26.50 C ATOM 601 O GLY A 38 -7.619 9.806 9.223 1.00 31.02 O ATOM 0 H GLY A 38 -4.633 12.043 7.705 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.416 11.449 6.921 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -6.097 10.312 7.115 1.00 23.91 H new ATOM 605 N ASN A 39 -6.857 11.758 9.895 1.00 27.64 N ATOM 606 CA ASN A 39 -7.299 11.518 11.294 1.00 30.27 C ATOM 607 C ASN A 39 -6.978 12.753 12.139 1.00 26.79 C ATOM 608 O ASN A 39 -5.831 13.072 12.376 1.00 26.87 O ATOM 609 CB ASN A 39 -6.575 10.296 11.873 1.00 35.62 C ATOM 610 CG ASN A 39 -5.239 10.088 11.154 1.00 41.31 C ATOM 611 OD1 ASN A 39 -4.573 11.040 10.797 1.00 43.23 O ATOM 612 ND2 ASN A 39 -4.817 8.874 10.925 1.00 39.63 N ATOM 0 H ASN A 39 -6.397 12.655 9.736 1.00 27.64 H new ATOM 0 HA ASN A 39 -8.373 11.330 11.307 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -6.405 10.436 12.940 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -7.198 9.408 11.763 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -3.929 8.725 10.447 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -5.376 8.075 11.224 1.00 39.63 H new ATOM 619 N GLU A 40 -7.987 13.454 12.584 1.00 25.15 N ATOM 620 CA GLU A 40 -7.756 14.675 13.405 1.00 23.81 C ATOM 621 C GLU A 40 -6.623 14.426 14.390 1.00 21.12 C ATOM 622 O GLU A 40 -5.559 15.006 14.299 1.00 19.86 O ATOM 623 CB GLU A 40 -9.034 15.025 14.173 1.00 27.22 C ATOM 624 CG GLU A 40 -10.182 15.237 13.184 1.00 34.87 C ATOM 625 CD GLU A 40 -10.563 16.717 13.155 1.00 38.97 C ATOM 626 OE1 GLU A 40 -11.232 17.155 14.077 1.00 42.34 O ATOM 627 OE2 GLU A 40 -10.180 17.389 12.211 1.00 39.54 O ATOM 0 H GLU A 40 -8.967 13.230 12.412 1.00 25.15 H new ATOM 0 HA GLU A 40 -7.487 15.503 12.749 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -9.283 14.224 14.870 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -8.879 15.927 14.766 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -9.884 14.908 12.189 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.043 14.635 13.475 1.00 34.87 H new ATOM 634 N HIS A 41 -6.845 13.560 15.325 1.00 5.04 N ATOM 635 CA HIS A 41 -5.783 13.252 16.323 1.00 4.72 C ATOM 636 C HIS A 41 -4.561 12.710 15.582 1.00 3.91 C ATOM 637 O HIS A 41 -4.689 12.160 14.506 1.00 3.15 O ATOM 638 CB HIS A 41 -6.296 12.203 17.312 1.00 4.95 C ATOM 639 CG HIS A 41 -7.398 12.797 18.145 1.00 4.88 C ATOM 640 ND1 HIS A 41 -7.585 14.166 18.256 1.00 4.09 N ATOM 641 CD2 HIS A 41 -8.379 12.221 18.914 1.00 5.58 C ATOM 642 CE1 HIS A 41 -8.642 14.367 19.064 1.00 4.34 C ATOM 643 NE2 HIS A 41 -9.164 13.214 19.493 1.00 5.27 N ATOM 0 H HIS A 41 -7.718 13.046 15.447 1.00 5.04 H new ATOM 0 HA HIS A 41 -5.514 14.154 16.873 1.00 4.72 H new ATOM 0 HB2 HIS A 41 -6.663 11.329 16.774 1.00 4.95 H new ATOM 0 HB3 HIS A 41 -5.483 11.864 17.954 1.00 4.95 H new ATOM 0 HD2 HIS A 41 -8.520 11.159 19.049 1.00 5.58 H new ATOM 0 HE1 HIS A 41 -9.022 15.341 19.333 1.00 4.34 H new ATOM 0 HE2 HIS A 41 -9.965 13.089 20.112 1.00 5.27 H new ATOM 651 N PRO A 42 -3.408 12.887 16.170 1.00 15.11 N ATOM 652 CA PRO A 42 -2.146 12.429 15.571 1.00 16.08 C ATOM 653 C PRO A 42 -1.991 10.918 15.755 1.00 17.92 C ATOM 654 O PRO A 42 -2.355 10.366 16.773 1.00 17.13 O ATOM 655 CB PRO A 42 -1.079 13.184 16.363 1.00 16.41 C ATOM 656 CG PRO A 42 -1.725 13.562 17.712 1.00 13.79 C ATOM 657 CD PRO A 42 -3.251 13.553 17.481 1.00 16.28 C ATOM 0 HA PRO A 42 -2.086 12.616 14.499 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.196 12.563 16.515 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -0.753 14.074 15.825 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -1.446 12.851 18.489 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.388 14.544 18.043 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -3.771 13.010 18.270 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -3.659 14.564 17.467 1.00 16.28 H new ATOM 665 N VAL A 43 -1.449 10.248 14.778 1.00 16.29 N ATOM 666 CA VAL A 43 -1.267 8.777 14.898 1.00 14.28 C ATOM 667 C VAL A 43 0.224 8.455 14.940 1.00 9.00 C ATOM 668 O VAL A 43 0.940 8.656 13.981 1.00 7.99 O ATOM 669 CB VAL A 43 -1.899 8.084 13.696 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.410 8.321 13.703 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.298 8.650 12.407 1.00 20.57 C ATOM 0 H VAL A 43 -1.124 10.656 13.901 1.00 16.29 H new ATOM 0 HA VAL A 43 -1.745 8.425 15.812 1.00 14.28 H new ATOM 0 HB VAL A 43 -1.701 7.013 13.750 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -3.860 7.825 12.843 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -3.838 7.916 14.620 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.611 9.391 13.651 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -1.749 8.155 11.547 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.494 9.721 12.354 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.222 8.478 12.401 1.00 20.57 H new ATOM 681 N LEU A 44 0.697 7.958 16.047 1.00 10.19 N ATOM 682 CA LEU A 44 2.141 7.632 16.160 1.00 11.55 C ATOM 683 C LEU A 44 2.481 6.429 15.282 1.00 10.61 C ATOM 684 O LEU A 44 2.071 5.315 15.544 1.00 13.49 O ATOM 685 CB LEU A 44 2.477 7.310 17.613 1.00 10.60 C ATOM 686 CG LEU A 44 3.966 6.997 17.728 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.777 8.163 17.159 1.00 15.65 C ATOM 688 CD2 LEU A 44 4.331 6.789 19.200 1.00 20.21 C ATOM 0 H LEU A 44 0.142 7.763 16.881 1.00 10.19 H new ATOM 0 HA LEU A 44 2.725 8.490 15.828 1.00 11.55 H new ATOM 0 HB2 LEU A 44 2.220 8.154 18.253 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.887 6.459 17.955 1.00 10.60 H new ATOM 0 HG LEU A 44 4.192 6.090 17.167 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.841 7.940 17.241 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.517 8.310 16.111 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.552 9.070 17.720 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.395 6.565 19.283 1.00 20.21 H new ATOM 0 HD22 LEU A 44 4.106 7.695 19.762 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.753 5.958 19.604 1.00 20.21 H new ATOM 700 N VAL A 45 3.242 6.648 14.249 1.00 10.81 N ATOM 701 CA VAL A 45 3.633 5.533 13.350 1.00 9.29 C ATOM 702 C VAL A 45 5.130 5.298 13.479 1.00 9.95 C ATOM 703 O VAL A 45 5.790 5.866 14.327 1.00 9.36 O ATOM 704 CB VAL A 45 3.303 5.902 11.908 1.00 4.64 C ATOM 705 CG1 VAL A 45 1.866 6.424 11.830 1.00 7.95 C ATOM 706 CG2 VAL A 45 4.269 6.989 11.422 1.00 10.20 C ATOM 0 H VAL A 45 3.613 7.562 13.988 1.00 10.81 H new ATOM 0 HA VAL A 45 3.089 4.629 13.625 1.00 9.29 H new ATOM 0 HB VAL A 45 3.404 5.019 11.277 1.00 4.64 H new ATOM 0 HG11 VAL A 45 1.630 6.688 10.799 1.00 7.95 H new ATOM 0 HG12 VAL A 45 1.179 5.651 12.173 1.00 7.95 H new ATOM 0 HG13 VAL A 45 1.764 7.306 12.462 1.00 7.95 H new ATOM 0 HG21 VAL A 45 4.032 7.252 10.391 1.00 10.20 H new ATOM 0 HG22 VAL A 45 4.171 7.872 12.053 1.00 10.20 H new ATOM 0 HG23 VAL A 45 5.292 6.617 11.476 1.00 10.20 H new ATOM 716 N LYS A 46 5.670 4.463 12.649 1.00 10.76 N ATOM 717 CA LYS A 46 7.127 4.191 12.731 1.00 12.81 C ATOM 718 C LYS A 46 7.842 4.749 11.499 1.00 13.35 C ATOM 719 O LYS A 46 7.262 4.904 10.442 1.00 12.90 O ATOM 720 CB LYS A 46 7.366 2.683 12.819 1.00 17.04 C ATOM 721 CG LYS A 46 6.911 2.169 14.185 1.00 26.60 C ATOM 722 CD LYS A 46 7.255 0.684 14.312 1.00 33.77 C ATOM 723 CE LYS A 46 8.411 0.510 15.298 1.00 34.48 C ATOM 724 NZ LYS A 46 9.453 -0.368 14.692 1.00 36.74 N ATOM 0 H LYS A 46 5.170 3.957 11.918 1.00 10.76 H new ATOM 0 HA LYS A 46 7.524 4.677 13.622 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.820 2.171 12.027 1.00 17.04 H new ATOM 0 HB3 LYS A 46 8.423 2.463 12.670 1.00 17.04 H new ATOM 0 HG2 LYS A 46 7.398 2.735 14.979 1.00 26.60 H new ATOM 0 HG3 LYS A 46 5.837 2.316 14.301 1.00 26.60 H new ATOM 0 HD2 LYS A 46 6.384 0.126 14.655 1.00 33.77 H new ATOM 0 HD3 LYS A 46 7.530 0.279 13.338 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.839 1.481 15.548 1.00 34.48 H new ATOM 0 HE3 LYS A 46 8.047 0.073 16.228 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 10.239 -0.487 15.362 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 9.040 -1.297 14.474 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.807 0.067 13.816 1.00 36.74 H new ATOM 738 N ILE A 47 9.107 5.047 11.633 1.00 13.96 N ATOM 739 CA ILE A 47 9.881 5.588 10.486 1.00 16.93 C ATOM 740 C ILE A 47 11.168 4.768 10.323 1.00 16.52 C ATOM 741 O ILE A 47 11.588 4.068 11.223 1.00 17.67 O ATOM 742 CB ILE A 47 10.201 7.078 10.748 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.348 7.942 9.822 1.00 19.39 C ATOM 744 CG2 ILE A 47 11.684 7.391 10.488 1.00 18.08 C ATOM 745 CD1 ILE A 47 9.887 7.837 8.394 1.00 18.26 C ATOM 0 H ILE A 47 9.638 4.937 12.497 1.00 13.96 H new ATOM 0 HA ILE A 47 9.303 5.516 9.565 1.00 16.93 H new ATOM 0 HB ILE A 47 9.981 7.293 11.794 1.00 19.74 H new ATOM 0 HG12 ILE A 47 8.309 7.615 9.856 1.00 19.39 H new ATOM 0 HG13 ILE A 47 9.367 8.980 10.155 1.00 19.39 H new ATOM 0 HG21 ILE A 47 11.872 8.447 10.682 1.00 18.08 H new ATOM 0 HG22 ILE A 47 12.305 6.784 11.147 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.927 7.164 9.450 1.00 18.08 H new ATOM 0 HD11 ILE A 47 9.280 8.453 7.730 1.00 18.26 H new ATOM 0 HD12 ILE A 47 10.920 8.185 8.368 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.845 6.799 8.065 1.00 18.26 H new ATOM 757 N THR A 48 11.794 4.855 9.183 1.00 16.86 N ATOM 758 CA THR A 48 13.049 4.091 8.961 1.00 16.59 C ATOM 759 C THR A 48 14.191 5.069 8.677 1.00 19.04 C ATOM 760 O THR A 48 14.641 5.200 7.556 1.00 22.56 O ATOM 761 CB THR A 48 12.866 3.161 7.764 1.00 16.30 C ATOM 762 OG1 THR A 48 11.586 2.548 7.833 1.00 17.90 O ATOM 763 CG2 THR A 48 13.951 2.087 7.781 1.00 16.02 C ATOM 0 H THR A 48 11.488 5.425 8.394 1.00 16.86 H new ATOM 0 HA THR A 48 13.285 3.503 9.848 1.00 16.59 H new ATOM 0 HB THR A 48 12.943 3.736 6.841 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.467 1.952 7.064 1.00 17.90 H new ATOM 0 HG21 THR A 48 13.820 1.424 6.926 1.00 16.02 H new ATOM 0 HG22 THR A 48 14.932 2.560 7.726 1.00 16.02 H new ATOM 0 HG23 THR A 48 13.877 1.510 8.703 1.00 16.02 H new ATOM 771 N LEU A 49 14.658 5.758 9.685 1.00 18.35 N ATOM 772 CA LEU A 49 15.769 6.732 9.483 1.00 18.82 C ATOM 773 C LEU A 49 16.804 6.141 8.521 1.00 20.06 C ATOM 774 O LEU A 49 17.204 5.001 8.649 1.00 18.35 O ATOM 775 CB LEU A 49 16.439 7.024 10.829 1.00 18.79 C ATOM 776 CG LEU A 49 16.325 8.511 11.163 1.00 18.24 C ATOM 777 CD1 LEU A 49 17.286 9.309 10.278 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.890 8.982 10.916 1.00 14.50 C ATOM 0 H LEU A 49 14.316 5.687 10.643 1.00 18.35 H new ATOM 0 HA LEU A 49 15.369 7.655 9.063 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.970 6.430 11.614 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.488 6.731 10.792 1.00 18.79 H new ATOM 0 HG LEU A 49 16.582 8.668 12.210 1.00 18.24 H new ATOM 0 HD11 LEU A 49 17.205 10.369 10.516 1.00 20.41 H new ATOM 0 HD12 LEU A 49 18.308 8.974 10.457 1.00 20.41 H new ATOM 0 HD13 LEU A 49 17.031 9.152 9.230 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.809 10.043 11.154 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.630 8.824 9.869 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.207 8.415 11.548 1.00 14.50 H new ATOM 790 N ASP A 50 17.237 6.907 7.557 1.00 22.62 N ATOM 791 CA ASP A 50 18.243 6.390 6.586 1.00 27.04 C ATOM 792 C ASP A 50 19.470 5.876 7.342 1.00 27.73 C ATOM 793 O ASP A 50 19.440 5.690 8.542 1.00 26.65 O ATOM 794 CB ASP A 50 18.663 7.517 5.640 1.00 29.11 C ATOM 795 CG ASP A 50 18.544 7.040 4.191 1.00 30.37 C ATOM 796 OD1 ASP A 50 18.526 5.838 3.983 1.00 33.99 O ATOM 797 OD2 ASP A 50 18.474 7.885 3.314 1.00 30.76 O ATOM 0 H ASP A 50 16.937 7.869 7.400 1.00 22.62 H new ATOM 0 HA ASP A 50 17.805 5.574 6.011 1.00 27.04 H new ATOM 0 HB2 ASP A 50 18.033 8.392 5.798 1.00 29.11 H new ATOM 0 HB3 ASP A 50 19.689 7.820 5.851 1.00 29.11 H new ATOM 802 N GLU A 51 20.550 5.644 6.647 1.00 31.16 N ATOM 803 CA GLU A 51 21.780 5.142 7.319 1.00 34.22 C ATOM 804 C GLU A 51 22.254 6.159 8.351 1.00 34.98 C ATOM 805 O GLU A 51 21.970 6.053 9.526 1.00 34.19 O ATOM 806 CB GLU A 51 22.877 4.926 6.275 1.00 38.24 C ATOM 807 CG GLU A 51 24.206 4.658 6.981 1.00 46.84 C ATOM 808 CD GLU A 51 24.864 3.415 6.379 1.00 51.38 C ATOM 809 OE1 GLU A 51 25.612 3.566 5.427 1.00 54.92 O ATOM 810 OE2 GLU A 51 24.609 2.332 6.881 1.00 53.83 O ATOM 0 H GLU A 51 20.633 5.781 5.640 1.00 31.16 H new ATOM 0 HA GLU A 51 21.559 4.199 7.818 1.00 34.22 H new ATOM 0 HB2 GLU A 51 22.620 4.086 5.630 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.963 5.804 5.635 1.00 38.24 H new ATOM 0 HG2 GLU A 51 24.866 5.519 6.875 1.00 46.84 H new ATOM 0 HG3 GLU A 51 24.040 4.513 8.048 1.00 46.84 H new ATOM 817 N GLY A 52 22.977 7.141 7.914 1.00 34.53 N ATOM 818 CA GLY A 52 23.484 8.179 8.856 1.00 34.93 C ATOM 819 C GLY A 52 22.616 9.434 8.753 1.00 36.10 C ATOM 820 O GLY A 52 23.109 10.544 8.770 1.00 35.97 O ATOM 0 H GLY A 52 23.244 7.276 6.939 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.469 7.797 9.877 1.00 34.93 H new ATOM 0 HA3 GLY A 52 24.521 8.421 8.622 1.00 34.93 H new ATOM 824 N GLN A 53 21.326 9.269 8.646 1.00 36.52 N ATOM 825 CA GLN A 53 20.430 10.455 8.541 1.00 35.40 C ATOM 826 C GLN A 53 19.998 10.900 9.943 1.00 31.02 C ATOM 827 O GLN A 53 19.942 10.099 10.856 1.00 29.05 O ATOM 828 CB GLN A 53 19.193 10.091 7.718 1.00 41.20 C ATOM 829 CG GLN A 53 19.319 10.690 6.316 1.00 47.61 C ATOM 830 CD GLN A 53 18.005 11.371 5.930 1.00 53.32 C ATOM 831 OE1 GLN A 53 17.453 12.132 6.700 1.00 53.91 O ATOM 832 NE2 GLN A 53 17.478 11.129 4.762 1.00 54.76 N ATOM 0 H GLN A 53 20.854 8.365 8.627 1.00 36.52 H new ATOM 0 HA GLN A 53 20.965 11.269 8.052 1.00 35.40 H new ATOM 0 HB2 GLN A 53 19.091 9.008 7.654 1.00 41.20 H new ATOM 0 HB3 GLN A 53 18.294 10.467 8.207 1.00 41.20 H new ATOM 0 HG2 GLN A 53 20.136 11.411 6.290 1.00 47.61 H new ATOM 0 HG3 GLN A 53 19.561 9.908 5.596 1.00 47.61 H new ATOM 0 HE21 GLN A 53 17.941 10.490 4.116 1.00 54.76 H new ATOM 0 HE22 GLN A 53 16.602 11.579 4.495 1.00 54.76 H new ATOM 841 N PRO A 54 19.706 12.170 10.068 1.00 27.43 N ATOM 842 CA PRO A 54 19.274 12.768 11.343 1.00 23.44 C ATOM 843 C PRO A 54 17.801 12.450 11.620 1.00 20.14 C ATOM 844 O PRO A 54 16.926 12.813 10.860 1.00 21.64 O ATOM 845 CB PRO A 54 19.476 14.267 11.126 1.00 24.39 C ATOM 846 CG PRO A 54 19.465 14.488 9.598 1.00 27.18 C ATOM 847 CD PRO A 54 19.782 13.129 8.949 1.00 28.37 C ATOM 0 HA PRO A 54 19.829 12.387 12.200 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.684 14.840 11.608 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.419 14.599 11.560 1.00 24.39 H new ATOM 0 HG2 PRO A 54 18.494 14.857 9.268 1.00 27.18 H new ATOM 0 HG3 PRO A 54 20.204 15.235 9.310 1.00 27.18 H new ATOM 0 HD2 PRO A 54 19.065 12.885 8.165 1.00 28.37 H new ATOM 0 HD3 PRO A 54 20.770 13.128 8.489 1.00 28.37 H new ATOM 855 N ALA A 55 17.524 11.773 12.702 1.00 17.21 N ATOM 856 CA ALA A 55 16.115 11.427 13.033 1.00 15.58 C ATOM 857 C ALA A 55 15.193 12.612 12.738 1.00 16.41 C ATOM 858 O ALA A 55 15.566 13.758 12.893 1.00 13.65 O ATOM 859 CB ALA A 55 16.025 11.077 14.516 1.00 13.98 C ATOM 0 H ALA A 55 18.218 11.444 13.373 1.00 17.21 H new ATOM 0 HA ALA A 55 15.803 10.578 12.425 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.996 10.822 14.768 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.672 10.226 14.729 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.343 11.933 15.112 1.00 13.98 H new ATOM 865 N TYR A 56 13.983 12.340 12.325 1.00 15.93 N ATOM 866 CA TYR A 56 13.026 13.444 12.030 1.00 14.61 C ATOM 867 C TYR A 56 12.959 14.386 13.234 1.00 15.51 C ATOM 868 O TYR A 56 12.287 14.113 14.208 1.00 17.19 O ATOM 869 CB TYR A 56 11.638 12.857 11.765 1.00 12.92 C ATOM 870 CG TYR A 56 11.640 12.052 10.478 1.00 11.75 C ATOM 871 CD1 TYR A 56 12.788 12.004 9.671 1.00 7.14 C ATOM 872 CD2 TYR A 56 10.494 11.351 10.102 1.00 12.42 C ATOM 873 CE1 TYR A 56 12.781 11.253 8.490 1.00 7.90 C ATOM 874 CE2 TYR A 56 10.487 10.603 8.925 1.00 11.47 C ATOM 875 CZ TYR A 56 11.628 10.552 8.116 1.00 10.29 C ATOM 876 OH TYR A 56 11.617 9.811 6.952 1.00 12.03 O ATOM 0 H TYR A 56 13.617 11.399 12.179 1.00 15.93 H new ATOM 0 HA TYR A 56 13.361 13.995 11.151 1.00 14.61 H new ATOM 0 HB2 TYR A 56 11.340 12.221 12.599 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.904 13.660 11.698 1.00 12.92 H new ATOM 0 HD1 TYR A 56 13.676 12.546 9.961 1.00 7.14 H new ATOM 0 HD2 TYR A 56 9.611 11.388 10.723 1.00 12.42 H new ATOM 0 HE1 TYR A 56 13.663 11.214 7.868 1.00 7.90 H new ATOM 0 HE2 TYR A 56 9.598 10.061 8.637 1.00 11.47 H new ATOM 0 HH TYR A 56 12.521 9.481 6.766 1.00 12.03 H new ATOM 886 N ALA A 57 13.653 15.489 13.178 1.00 13.38 N ATOM 887 CA ALA A 57 13.628 16.443 14.323 1.00 14.95 C ATOM 888 C ALA A 57 12.182 16.643 14.791 1.00 15.46 C ATOM 889 O ALA A 57 11.256 16.202 14.140 1.00 17.82 O ATOM 890 CB ALA A 57 14.211 17.786 13.881 1.00 14.98 C ATOM 0 H ALA A 57 14.236 15.771 12.390 1.00 13.38 H new ATOM 0 HA ALA A 57 14.223 16.041 15.143 1.00 14.95 H new ATOM 0 HB1 ALA A 57 14.193 18.484 14.718 1.00 14.98 H new ATOM 0 HB2 ALA A 57 15.239 17.645 13.549 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.617 18.188 13.060 1.00 14.98 H new ATOM 896 N PRO A 58 12.036 17.309 15.908 1.00 15.20 N ATOM 897 CA PRO A 58 10.715 17.592 16.496 1.00 16.55 C ATOM 898 C PRO A 58 10.042 18.744 15.749 1.00 16.75 C ATOM 899 O PRO A 58 10.441 19.886 15.862 1.00 17.28 O ATOM 900 CB PRO A 58 11.042 17.988 17.939 1.00 15.65 C ATOM 901 CG PRO A 58 12.517 18.454 17.940 1.00 14.16 C ATOM 902 CD PRO A 58 13.172 17.842 16.687 1.00 13.96 C ATOM 0 HA PRO A 58 10.026 16.749 16.440 1.00 16.55 H new ATOM 0 HB2 PRO A 58 10.383 18.785 18.282 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.901 17.145 18.615 1.00 15.65 H new ATOM 0 HG2 PRO A 58 12.580 19.542 17.918 1.00 14.16 H new ATOM 0 HG3 PRO A 58 13.027 18.124 18.845 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.726 18.591 16.121 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.878 17.055 16.951 1.00 13.96 H new ATOM 910 N GLY A 59 9.026 18.457 14.982 1.00 17.22 N ATOM 911 CA GLY A 59 8.339 19.542 14.228 1.00 15.08 C ATOM 912 C GLY A 59 7.200 18.956 13.391 1.00 14.96 C ATOM 913 O GLY A 59 6.944 17.770 13.421 1.00 13.79 O ATOM 0 H GLY A 59 8.643 17.521 14.845 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.947 20.286 14.921 1.00 15.08 H new ATOM 0 HA3 GLY A 59 9.051 20.054 13.581 1.00 15.08 H new ATOM 917 N LEU A 60 6.520 19.781 12.638 1.00 15.83 N ATOM 918 CA LEU A 60 5.408 19.273 11.788 1.00 14.53 C ATOM 919 C LEU A 60 6.005 18.521 10.602 1.00 14.15 C ATOM 920 O LEU A 60 7.091 18.828 10.152 1.00 13.27 O ATOM 921 CB LEU A 60 4.579 20.450 11.274 1.00 15.84 C ATOM 922 CG LEU A 60 3.414 20.702 12.226 1.00 16.91 C ATOM 923 CD1 LEU A 60 3.933 21.359 13.506 1.00 19.57 C ATOM 924 CD2 LEU A 60 2.396 21.626 11.552 1.00 15.01 C ATOM 0 H LEU A 60 6.689 20.785 12.576 1.00 15.83 H new ATOM 0 HA LEU A 60 4.769 18.609 12.370 1.00 14.53 H new ATOM 0 HB2 LEU A 60 5.201 21.342 11.198 1.00 15.84 H new ATOM 0 HB3 LEU A 60 4.205 20.236 10.273 1.00 15.84 H new ATOM 0 HG LEU A 60 2.936 19.755 12.474 1.00 16.91 H new ATOM 0 HD11 LEU A 60 3.100 21.539 14.186 1.00 19.57 H new ATOM 0 HD12 LEU A 60 4.657 20.700 13.985 1.00 19.57 H new ATOM 0 HD13 LEU A 60 4.412 22.307 13.260 1.00 19.57 H new ATOM 0 HD21 LEU A 60 1.563 21.807 12.231 1.00 15.01 H new ATOM 0 HD22 LEU A 60 2.874 22.574 11.303 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.026 21.156 10.641 1.00 15.01 H new ATOM 936 N TYR A 61 5.325 17.533 10.094 1.00 11.12 N ATOM 937 CA TYR A 61 5.894 16.781 8.950 1.00 9.57 C ATOM 938 C TYR A 61 4.855 16.547 7.871 1.00 11.76 C ATOM 939 O TYR A 61 3.665 16.656 8.080 1.00 11.26 O ATOM 940 CB TYR A 61 6.426 15.438 9.431 1.00 9.42 C ATOM 941 CG TYR A 61 7.829 15.636 9.926 1.00 10.29 C ATOM 942 CD1 TYR A 61 8.056 16.396 11.074 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.903 15.080 9.222 1.00 10.26 C ATOM 944 CE1 TYR A 61 9.359 16.601 11.525 1.00 13.03 C ATOM 945 CE2 TYR A 61 10.208 15.286 9.672 1.00 13.99 C ATOM 946 CZ TYR A 61 10.433 16.047 10.823 1.00 11.06 C ATOM 947 OH TYR A 61 11.721 16.248 11.278 1.00 14.61 O ATOM 0 H TYR A 61 4.411 17.218 10.419 1.00 11.12 H new ATOM 0 HA TYR A 61 6.703 17.376 8.527 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.795 15.043 10.227 1.00 9.42 H new ATOM 0 HB3 TYR A 61 6.409 14.710 8.620 1.00 9.42 H new ATOM 0 HD1 TYR A 61 7.224 16.825 11.612 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.723 14.493 8.333 1.00 10.26 H new ATOM 0 HE1 TYR A 61 9.538 17.186 12.415 1.00 13.03 H new ATOM 0 HE2 TYR A 61 11.041 14.859 9.133 1.00 13.99 H new ATOM 0 HH TYR A 61 11.695 16.548 12.211 1.00 14.61 H new ATOM 957 N THR A 62 5.326 16.200 6.717 1.00 12.22 N ATOM 958 CA THR A 62 4.431 15.914 5.583 1.00 14.26 C ATOM 959 C THR A 62 5.083 14.810 4.782 1.00 15.40 C ATOM 960 O THR A 62 6.190 14.944 4.298 1.00 16.24 O ATOM 961 CB THR A 62 4.259 17.149 4.712 1.00 15.07 C ATOM 962 OG1 THR A 62 5.468 17.410 4.013 1.00 18.36 O ATOM 963 CG2 THR A 62 3.903 18.341 5.595 1.00 11.61 C ATOM 0 H THR A 62 6.320 16.101 6.510 1.00 12.22 H new ATOM 0 HA THR A 62 3.443 15.620 5.938 1.00 14.26 H new ATOM 0 HB THR A 62 3.459 16.981 3.990 1.00 15.07 H new ATOM 0 HG1 THR A 62 5.939 16.567 3.847 1.00 18.36 H new ATOM 0 HG21 THR A 62 3.779 19.229 4.975 1.00 11.61 H new ATOM 0 HG22 THR A 62 2.973 18.136 6.126 1.00 11.61 H new ATOM 0 HG23 THR A 62 4.702 18.511 6.316 1.00 11.61 H new ATOM 971 N VAL A 63 4.426 13.712 4.661 1.00 14.65 N ATOM 972 CA VAL A 63 5.027 12.587 3.914 1.00 15.17 C ATOM 973 C VAL A 63 5.578 13.104 2.589 1.00 14.24 C ATOM 974 O VAL A 63 5.353 14.235 2.206 1.00 19.13 O ATOM 975 CB VAL A 63 3.976 11.514 3.679 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.641 10.263 3.117 1.00 14.85 C ATOM 977 CG2 VAL A 63 3.295 11.176 5.011 1.00 18.64 C ATOM 0 H VAL A 63 3.497 13.538 5.045 1.00 14.65 H new ATOM 0 HA VAL A 63 5.844 12.150 4.488 1.00 15.17 H new ATOM 0 HB VAL A 63 3.234 11.878 2.969 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.887 9.494 2.949 1.00 14.85 H new ATOM 0 HG12 VAL A 63 5.130 10.504 2.173 1.00 14.85 H new ATOM 0 HG13 VAL A 63 5.382 9.895 3.826 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.540 10.407 4.849 1.00 18.64 H new ATOM 0 HG22 VAL A 63 4.040 10.810 5.718 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.821 12.071 5.414 1.00 18.64 H new ATOM 987 N HIS A 64 6.310 12.289 1.896 1.00 13.31 N ATOM 988 CA HIS A 64 6.899 12.724 0.600 1.00 10.78 C ATOM 989 C HIS A 64 6.666 11.626 -0.442 1.00 14.19 C ATOM 990 O HIS A 64 7.010 10.475 -0.228 1.00 11.59 O ATOM 991 CB HIS A 64 8.403 12.953 0.788 1.00 11.86 C ATOM 992 CG HIS A 64 8.934 13.881 -0.272 1.00 13.39 C ATOM 993 ND1 HIS A 64 8.448 13.888 -1.569 1.00 17.90 N ATOM 994 CD2 HIS A 64 9.944 14.812 -0.246 1.00 17.63 C ATOM 995 CE1 HIS A 64 9.164 14.785 -2.267 1.00 19.32 C ATOM 996 NE2 HIS A 64 10.088 15.381 -1.508 1.00 20.65 N ATOM 0 H HIS A 64 6.530 11.331 2.170 1.00 13.31 H new ATOM 0 HA HIS A 64 6.432 13.650 0.263 1.00 10.78 H new ATOM 0 HB2 HIS A 64 8.592 13.374 1.775 1.00 11.86 H new ATOM 0 HB3 HIS A 64 8.930 12.000 0.742 1.00 11.86 H new ATOM 0 HD2 HIS A 64 10.536 15.064 0.621 1.00 17.63 H new ATOM 0 HE1 HIS A 64 9.011 14.999 -3.315 1.00 19.32 H new ATOM 0 HE2 HIS A 64 10.755 16.098 -1.792 1.00 20.65 H new ATOM 1004 N LEU A 65 6.078 11.971 -1.561 1.00 12.93 N ATOM 1005 CA LEU A 65 5.809 10.955 -2.618 1.00 14.44 C ATOM 1006 C LEU A 65 7.118 10.370 -3.140 1.00 12.66 C ATOM 1007 O LEU A 65 7.114 9.416 -3.892 1.00 10.20 O ATOM 1008 CB LEU A 65 5.071 11.602 -3.784 1.00 14.94 C ATOM 1009 CG LEU A 65 3.715 12.119 -3.321 1.00 19.65 C ATOM 1010 CD1 LEU A 65 3.805 13.613 -3.016 1.00 15.75 C ATOM 1011 CD2 LEU A 65 2.699 11.877 -4.431 1.00 19.03 C ATOM 0 H LEU A 65 5.772 12.918 -1.786 1.00 12.93 H new ATOM 0 HA LEU A 65 5.201 10.162 -2.181 1.00 14.44 H new ATOM 0 HB2 LEU A 65 5.663 12.423 -4.189 1.00 14.94 H new ATOM 0 HB3 LEU A 65 4.938 10.878 -4.588 1.00 14.94 H new ATOM 0 HG LEU A 65 3.408 11.597 -2.415 1.00 19.65 H new ATOM 0 HD11 LEU A 65 2.832 13.976 -2.685 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.541 13.780 -2.230 1.00 15.75 H new ATOM 0 HD13 LEU A 65 4.107 14.150 -3.915 1.00 15.75 H new ATOM 0 HD21 LEU A 65 1.722 12.242 -4.115 1.00 19.03 H new ATOM 0 HD22 LEU A 65 3.011 12.407 -5.331 1.00 19.03 H new ATOM 0 HD23 LEU A 65 2.637 10.809 -4.641 1.00 19.03 H new ATOM 1023 N SER A 66 8.239 10.910 -2.749 1.00 13.51 N ATOM 1024 CA SER A 66 9.524 10.347 -3.233 1.00 10.39 C ATOM 1025 C SER A 66 9.466 8.829 -3.068 1.00 8.56 C ATOM 1026 O SER A 66 10.151 8.086 -3.742 1.00 11.70 O ATOM 1027 CB SER A 66 10.679 10.914 -2.406 1.00 12.88 C ATOM 1028 OG SER A 66 11.671 9.911 -2.233 1.00 14.72 O ATOM 0 H SER A 66 8.318 11.710 -2.121 1.00 13.51 H new ATOM 0 HA SER A 66 9.684 10.608 -4.279 1.00 10.39 H new ATOM 0 HB2 SER A 66 11.107 11.783 -2.906 1.00 12.88 H new ATOM 0 HB3 SER A 66 10.315 11.252 -1.436 1.00 12.88 H new ATOM 0 HG SER A 66 12.553 10.332 -2.158 1.00 14.72 H new ATOM 1034 N SER A 67 8.641 8.370 -2.162 1.00 7.98 N ATOM 1035 CA SER A 67 8.516 6.907 -1.926 1.00 8.20 C ATOM 1036 C SER A 67 7.295 6.340 -2.668 1.00 11.02 C ATOM 1037 O SER A 67 7.140 5.140 -2.784 1.00 11.45 O ATOM 1038 CB SER A 67 8.354 6.655 -0.428 1.00 8.01 C ATOM 1039 OG SER A 67 9.261 7.485 0.286 1.00 11.22 O ATOM 0 H SER A 67 8.046 8.953 -1.573 1.00 7.98 H new ATOM 0 HA SER A 67 9.413 6.413 -2.299 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.330 6.866 -0.120 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.546 5.606 -0.201 1.00 8.01 H new ATOM 0 HG SER A 67 9.738 6.949 0.954 1.00 11.22 H new ATOM 1045 N PHE A 68 6.415 7.179 -3.156 1.00 10.09 N ATOM 1046 CA PHE A 68 5.207 6.658 -3.864 1.00 11.79 C ATOM 1047 C PHE A 68 5.557 6.300 -5.307 1.00 12.69 C ATOM 1048 O PHE A 68 6.497 6.814 -5.880 1.00 14.25 O ATOM 1049 CB PHE A 68 4.101 7.722 -3.876 1.00 10.08 C ATOM 1050 CG PHE A 68 3.848 8.242 -2.480 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.489 7.664 -1.372 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.983 9.326 -2.297 1.00 10.16 C ATOM 1053 CE1 PHE A 68 4.264 8.174 -0.092 1.00 10.35 C ATOM 1054 CE2 PHE A 68 2.755 9.831 -1.014 1.00 9.89 C ATOM 1055 CZ PHE A 68 3.397 9.254 0.087 1.00 11.87 C ATOM 0 H PHE A 68 6.480 8.195 -3.095 1.00 10.09 H new ATOM 0 HA PHE A 68 4.858 5.770 -3.337 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.388 8.545 -4.530 1.00 10.08 H new ATOM 0 HB3 PHE A 68 3.184 7.296 -4.283 1.00 10.08 H new ATOM 0 HD1 PHE A 68 5.156 6.826 -1.510 1.00 12.12 H new ATOM 0 HD2 PHE A 68 2.491 9.773 -3.148 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.761 7.733 0.760 1.00 10.35 H new ATOM 0 HE2 PHE A 68 2.084 10.665 -0.873 1.00 9.89 H new ATOM 0 HZ PHE A 68 3.222 9.645 1.078 1.00 11.87 H new ATOM 1065 N LYS A 69 4.791 5.429 -5.898 1.00 12.51 N ATOM 1066 CA LYS A 69 5.049 5.033 -7.309 1.00 15.38 C ATOM 1067 C LYS A 69 3.745 4.536 -7.931 1.00 15.02 C ATOM 1068 O LYS A 69 2.777 4.279 -7.243 1.00 15.36 O ATOM 1069 CB LYS A 69 6.094 3.917 -7.358 1.00 16.04 C ATOM 1070 CG LYS A 69 5.995 3.058 -6.094 1.00 20.35 C ATOM 1071 CD LYS A 69 4.723 2.209 -6.151 1.00 21.35 C ATOM 1072 CE LYS A 69 4.928 0.926 -5.343 1.00 30.24 C ATOM 1073 NZ LYS A 69 5.452 -0.145 -6.237 1.00 32.70 N ATOM 0 H LYS A 69 3.991 4.971 -5.461 1.00 12.51 H new ATOM 0 HA LYS A 69 5.424 5.893 -7.864 1.00 15.38 H new ATOM 0 HB2 LYS A 69 5.938 3.299 -8.242 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.093 4.345 -7.441 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.871 2.415 -6.009 1.00 20.35 H new ATOM 0 HG3 LYS A 69 5.981 3.695 -5.209 1.00 20.35 H new ATOM 0 HD2 LYS A 69 3.879 2.772 -5.752 1.00 21.35 H new ATOM 0 HD3 LYS A 69 4.482 1.965 -7.186 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.626 1.106 -4.525 1.00 30.24 H new ATOM 0 HE3 LYS A 69 3.986 0.611 -4.894 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 5.592 -1.018 -5.689 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 4.771 -0.322 -7.002 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 6.360 0.157 -6.645 1.00 32.70 H new ATOM 1087 N VAL A 70 3.709 4.395 -9.225 1.00 13.65 N ATOM 1088 CA VAL A 70 2.463 3.910 -9.880 1.00 13.49 C ATOM 1089 C VAL A 70 2.643 2.446 -10.283 1.00 11.85 C ATOM 1090 O VAL A 70 3.578 2.091 -10.974 1.00 12.13 O ATOM 1091 CB VAL A 70 2.163 4.751 -11.118 1.00 14.48 C ATOM 1092 CG1 VAL A 70 0.699 4.564 -11.521 1.00 14.02 C ATOM 1093 CG2 VAL A 70 2.425 6.229 -10.813 1.00 15.63 C ATOM 0 H VAL A 70 4.485 4.594 -9.856 1.00 13.65 H new ATOM 0 HA VAL A 70 1.630 3.999 -9.183 1.00 13.49 H new ATOM 0 HB VAL A 70 2.809 4.431 -11.936 1.00 14.48 H new ATOM 0 HG11 VAL A 70 0.485 5.165 -12.405 1.00 14.02 H new ATOM 0 HG12 VAL A 70 0.514 3.513 -11.743 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.053 4.881 -10.702 1.00 14.02 H new ATOM 0 HG21 VAL A 70 2.210 6.827 -11.699 1.00 15.63 H new ATOM 0 HG22 VAL A 70 1.783 6.551 -9.993 1.00 15.63 H new ATOM 0 HG23 VAL A 70 3.469 6.363 -10.530 1.00 15.63 H new ATOM 1103 N GLY A 71 1.758 1.591 -9.851 1.00 11.15 N ATOM 1104 CA GLY A 71 1.879 0.148 -10.201 1.00 11.07 C ATOM 1105 C GLY A 71 1.383 -0.080 -11.629 1.00 12.15 C ATOM 1106 O GLY A 71 0.864 0.815 -12.266 1.00 12.70 O ATOM 0 H GLY A 71 0.955 1.830 -9.270 1.00 11.15 H new ATOM 0 HA2 GLY A 71 2.917 -0.172 -10.111 1.00 11.07 H new ATOM 0 HA3 GLY A 71 1.298 -0.455 -9.503 1.00 11.07 H new ATOM 1110 N GLN A 72 1.539 -1.272 -12.140 1.00 15.78 N ATOM 1111 CA GLN A 72 1.077 -1.554 -13.526 1.00 19.42 C ATOM 1112 C GLN A 72 -0.444 -1.693 -13.547 1.00 16.97 C ATOM 1113 O GLN A 72 -1.051 -1.895 -14.579 1.00 20.46 O ATOM 1114 CB GLN A 72 1.727 -2.848 -14.023 1.00 22.64 C ATOM 1115 CG GLN A 72 1.063 -3.296 -15.327 1.00 25.29 C ATOM 1116 CD GLN A 72 -0.111 -4.228 -15.015 1.00 26.29 C ATOM 1117 OE1 GLN A 72 -1.172 -4.099 -15.592 1.00 26.22 O ATOM 1118 NE2 GLN A 72 0.033 -5.168 -14.121 1.00 25.15 N ATOM 0 H GLN A 72 1.967 -2.061 -11.656 1.00 15.78 H new ATOM 0 HA GLN A 72 1.364 -0.731 -14.180 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.794 -2.691 -14.183 1.00 22.64 H new ATOM 0 HB3 GLN A 72 1.629 -3.628 -13.268 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.712 -2.428 -15.885 1.00 25.29 H new ATOM 0 HG3 GLN A 72 1.789 -3.808 -15.959 1.00 25.29 H new ATOM 0 HE21 GLN A 72 0.923 -5.278 -13.635 1.00 25.15 H new ATOM 0 HE22 GLN A 72 -0.745 -5.793 -13.908 1.00 25.15 H new ATOM 1127 N PHE A 73 -1.061 -1.574 -12.412 1.00 14.56 N ATOM 1128 CA PHE A 73 -2.545 -1.691 -12.347 1.00 14.60 C ATOM 1129 C PHE A 73 -3.175 -0.306 -12.513 1.00 15.63 C ATOM 1130 O PHE A 73 -4.349 -0.178 -12.798 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.953 -2.277 -10.994 1.00 12.63 C ATOM 1132 CG PHE A 73 -2.328 -3.641 -10.826 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -2.551 -4.636 -11.785 1.00 19.79 C ATOM 1134 CD2 PHE A 73 -1.527 -3.911 -9.710 1.00 16.27 C ATOM 1135 CE1 PHE A 73 -1.973 -5.902 -11.628 1.00 18.68 C ATOM 1136 CE2 PHE A 73 -0.948 -5.176 -9.553 1.00 20.44 C ATOM 1137 CZ PHE A 73 -1.171 -6.172 -10.513 1.00 17.88 C ATOM 0 H PHE A 73 -0.602 -1.399 -11.518 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.892 -2.346 -13.146 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -2.632 -1.617 -10.188 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -4.039 -2.353 -10.931 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -3.169 -4.427 -12.646 1.00 19.79 H new ATOM 0 HD2 PHE A 73 -1.356 -3.143 -8.970 1.00 16.27 H new ATOM 0 HE1 PHE A 73 -2.146 -6.670 -12.367 1.00 18.68 H new ATOM 0 HE2 PHE A 73 -0.330 -5.384 -8.692 1.00 20.44 H new ATOM 0 HZ PHE A 73 -0.724 -7.148 -10.393 1.00 17.88 H new ATOM 1147 N GLY A 74 -2.404 0.733 -12.337 1.00 13.82 N ATOM 1148 CA GLY A 74 -2.960 2.107 -12.485 1.00 13.44 C ATOM 1149 C GLY A 74 -3.465 2.606 -11.129 1.00 10.42 C ATOM 1150 O GLY A 74 -4.590 3.045 -10.999 1.00 13.62 O ATOM 0 H GLY A 74 -1.414 0.689 -12.097 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -2.194 2.781 -12.869 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -3.775 2.104 -13.209 1.00 13.44 H new ATOM 1154 N SER A 75 -2.642 2.545 -10.119 1.00 12.64 N ATOM 1155 CA SER A 75 -3.077 3.020 -8.775 1.00 12.47 C ATOM 1156 C SER A 75 -1.849 3.399 -7.945 1.00 12.47 C ATOM 1157 O SER A 75 -1.030 2.565 -7.614 1.00 11.32 O ATOM 1158 CB SER A 75 -3.849 1.906 -8.066 1.00 11.21 C ATOM 1159 OG SER A 75 -5.092 1.704 -8.724 1.00 18.27 O ATOM 0 H SER A 75 -1.688 2.187 -10.166 1.00 12.64 H new ATOM 0 HA SER A 75 -3.721 3.892 -8.889 1.00 12.47 H new ATOM 0 HB2 SER A 75 -3.267 0.984 -8.072 1.00 11.21 H new ATOM 0 HB3 SER A 75 -4.016 2.171 -7.022 1.00 11.21 H new ATOM 0 HG SER A 75 -5.177 2.340 -9.464 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.714 4.653 -7.606 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.538 5.083 -6.798 1.00 12.18 C ATOM 1167 C LEU A 76 -0.399 4.174 -5.575 1.00 12.07 C ATOM 1168 O LEU A 76 -1.361 3.608 -5.096 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.736 6.530 -6.338 1.00 11.99 C ATOM 1170 CG LEU A 76 0.567 7.057 -5.734 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.753 8.526 -6.120 1.00 9.28 C ATOM 1172 CD2 LEU A 76 0.507 6.932 -4.209 1.00 7.80 C ATOM 0 H LEU A 76 -2.367 5.397 -7.854 1.00 12.43 H new ATOM 0 HA LEU A 76 0.364 5.015 -7.406 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.036 7.153 -7.181 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.538 6.582 -5.601 1.00 11.99 H new ATOM 0 HG LEU A 76 1.406 6.475 -6.114 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.682 8.901 -5.689 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.795 8.614 -7.206 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.085 9.111 -5.740 1.00 9.28 H new ATOM 0 HD21 LEU A 76 1.435 7.307 -3.776 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.332 7.515 -3.829 1.00 7.80 H new ATOM 0 HD23 LEU A 76 0.376 5.885 -3.935 1.00 7.80 H new ATOM 1184 N MET A 77 0.794 4.029 -5.067 1.00 14.08 N ATOM 1185 CA MET A 77 0.996 3.156 -3.877 1.00 14.12 C ATOM 1186 C MET A 77 2.323 3.505 -3.200 1.00 11.37 C ATOM 1187 O MET A 77 3.373 3.474 -3.811 1.00 11.44 O ATOM 1188 CB MET A 77 1.022 1.691 -4.318 1.00 16.48 C ATOM 1189 CG MET A 77 -0.405 1.220 -4.603 1.00 24.75 C ATOM 1190 SD MET A 77 -0.444 -0.589 -4.651 1.00 35.11 S ATOM 1191 CE MET A 77 -2.210 -0.787 -4.313 1.00 33.86 C ATOM 0 H MET A 77 1.637 4.477 -5.425 1.00 14.08 H new ATOM 0 HA MET A 77 0.179 3.312 -3.173 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.638 1.579 -5.210 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.472 1.074 -3.540 1.00 16.48 H new ATOM 0 HG2 MET A 77 -1.082 1.589 -3.832 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.751 1.627 -5.553 1.00 24.75 H new ATOM 0 HE1 MET A 77 -2.461 -1.848 -4.297 1.00 33.86 H new ATOM 0 HE2 MET A 77 -2.447 -0.343 -3.346 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.788 -0.290 -5.092 1.00 33.86 H new ATOM 1201 N ILE A 78 2.281 3.834 -1.938 1.00 11.78 N ATOM 1202 CA ILE A 78 3.534 4.183 -1.210 1.00 11.62 C ATOM 1203 C ILE A 78 4.487 2.983 -1.206 1.00 11.45 C ATOM 1204 O ILE A 78 4.078 1.852 -1.033 1.00 12.59 O ATOM 1205 CB ILE A 78 3.206 4.530 0.239 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.409 5.834 0.310 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.503 4.678 1.032 1.00 10.70 C ATOM 1208 CD1 ILE A 78 1.081 5.579 1.026 1.00 13.67 C ATOM 0 H ILE A 78 1.430 3.876 -1.378 1.00 11.78 H new ATOM 0 HA ILE A 78 4.000 5.032 -1.709 1.00 11.62 H new ATOM 0 HB ILE A 78 2.603 3.729 0.666 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.981 6.594 0.841 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.226 6.216 -0.694 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.270 4.926 2.068 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.058 3.741 0.999 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.107 5.473 0.596 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.511 6.507 1.078 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.509 4.832 0.476 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.276 5.216 2.035 1.00 13.67 H new ATOM 1220 N ASP A 79 5.756 3.227 -1.368 1.00 10.05 N ATOM 1221 CA ASP A 79 6.750 2.111 -1.345 1.00 14.79 C ATOM 1222 C ASP A 79 7.614 2.238 -0.082 1.00 15.20 C ATOM 1223 O ASP A 79 8.275 1.309 0.337 1.00 18.10 O ATOM 1224 CB ASP A 79 7.642 2.191 -2.585 1.00 12.21 C ATOM 1225 CG ASP A 79 8.737 1.127 -2.497 1.00 17.52 C ATOM 1226 OD1 ASP A 79 8.417 -0.040 -2.654 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.878 1.497 -2.273 1.00 21.87 O ATOM 0 H ASP A 79 6.153 4.155 -1.516 1.00 10.05 H new ATOM 0 HA ASP A 79 6.228 1.154 -1.341 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.046 2.040 -3.485 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.089 3.182 -2.661 1.00 12.21 H new ATOM 1232 N ARG A 80 7.592 3.393 0.521 1.00 17.08 N ATOM 1233 CA ARG A 80 8.376 3.650 1.762 1.00 17.14 C ATOM 1234 C ARG A 80 8.320 5.151 2.008 1.00 14.98 C ATOM 1235 O ARG A 80 9.306 5.858 1.943 1.00 16.47 O ATOM 1236 CB ARG A 80 9.827 3.190 1.591 1.00 17.78 C ATOM 1237 CG ARG A 80 10.631 3.568 2.838 1.00 22.76 C ATOM 1238 CD ARG A 80 11.360 2.333 3.373 1.00 28.43 C ATOM 1239 NE ARG A 80 12.820 2.462 3.102 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.673 1.690 3.722 1.00 30.84 C ATOM 1241 NH1 ARG A 80 13.251 0.800 4.580 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.950 1.808 3.482 1.00 35.04 N ATOM 0 H ARG A 80 7.048 4.192 0.196 1.00 17.08 H new ATOM 0 HA ARG A 80 7.962 3.097 2.605 1.00 17.14 H new ATOM 0 HB2 ARG A 80 9.862 2.112 1.435 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.265 3.654 0.708 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.350 4.351 2.596 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.967 3.971 3.603 1.00 22.76 H new ATOM 0 HD2 ARG A 80 11.186 2.230 4.444 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.969 1.433 2.899 1.00 28.43 H new ATOM 0 HE ARG A 80 13.154 3.154 2.431 1.00 33.10 H new ATOM 0 HH11 ARG A 80 12.253 0.706 4.768 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.920 0.199 5.062 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.281 2.502 2.812 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.617 1.206 3.965 1.00 35.04 H new ATOM 1256 N LEU A 81 7.133 5.617 2.242 1.00 11.03 N ATOM 1257 CA LEU A 81 6.866 7.064 2.453 1.00 11.27 C ATOM 1258 C LEU A 81 8.081 7.811 3.017 1.00 15.61 C ATOM 1259 O LEU A 81 8.551 7.537 4.102 1.00 18.56 O ATOM 1260 CB LEU A 81 5.646 7.197 3.372 1.00 13.62 C ATOM 1261 CG LEU A 81 6.067 7.478 4.810 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.821 7.794 5.641 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.758 6.233 5.379 1.00 18.72 C ATOM 0 H LEU A 81 6.300 5.030 2.298 1.00 11.03 H new ATOM 0 HA LEU A 81 6.660 7.531 1.490 1.00 11.27 H new ATOM 0 HB2 LEU A 81 5.004 8.002 3.014 1.00 13.62 H new ATOM 0 HB3 LEU A 81 5.058 6.280 3.335 1.00 13.62 H new ATOM 0 HG LEU A 81 6.753 8.325 4.841 1.00 12.84 H new ATOM 0 HD11 LEU A 81 5.113 7.996 6.672 1.00 11.44 H new ATOM 0 HD12 LEU A 81 4.320 8.669 5.227 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.142 6.942 5.617 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.063 6.424 6.408 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.067 5.391 5.356 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.636 5.998 4.778 1.00 18.72 H new ATOM 1275 N ARG A 82 8.564 8.786 2.290 1.00 13.37 N ATOM 1276 CA ARG A 82 9.714 9.589 2.787 1.00 12.72 C ATOM 1277 C ARG A 82 9.142 10.771 3.569 1.00 13.33 C ATOM 1278 O ARG A 82 8.629 11.710 3.001 1.00 13.27 O ATOM 1279 CB ARG A 82 10.539 10.102 1.604 1.00 13.85 C ATOM 1280 CG ARG A 82 12.016 9.764 1.824 1.00 16.22 C ATOM 1281 CD ARG A 82 12.576 9.088 0.572 1.00 16.62 C ATOM 1282 NE ARG A 82 13.847 9.765 0.161 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.917 11.067 0.049 1.00 17.96 C ATOM 1284 NH1 ARG A 82 12.839 11.803 0.108 1.00 20.55 N ATOM 1285 NH2 ARG A 82 15.071 11.631 -0.184 1.00 16.89 N ATOM 0 H ARG A 82 8.209 9.058 1.373 1.00 13.37 H new ATOM 0 HA ARG A 82 10.362 8.983 3.421 1.00 12.72 H new ATOM 0 HB2 ARG A 82 10.186 9.649 0.678 1.00 13.85 H new ATOM 0 HB3 ARG A 82 10.414 11.180 1.500 1.00 13.85 H new ATOM 0 HG2 ARG A 82 12.579 10.671 2.043 1.00 16.22 H new ATOM 0 HG3 ARG A 82 12.125 9.105 2.686 1.00 16.22 H new ATOM 0 HD2 ARG A 82 12.762 8.032 0.769 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.847 9.138 -0.237 1.00 16.62 H new ATOM 0 HE ARG A 82 14.674 9.201 -0.035 1.00 15.85 H new ATOM 0 HH11 ARG A 82 11.928 11.364 0.243 1.00 20.55 H new ATOM 0 HH12 ARG A 82 12.908 12.817 0.019 1.00 20.55 H new ATOM 0 HH21 ARG A 82 15.909 11.058 -0.277 1.00 16.89 H new ATOM 0 HH22 ARG A 82 15.134 12.645 -0.273 1.00 16.89 H new ATOM 1299 N LEU A 83 9.182 10.715 4.867 1.00 13.53 N ATOM 1300 CA LEU A 83 8.591 11.824 5.668 1.00 13.86 C ATOM 1301 C LEU A 83 9.507 13.047 5.692 1.00 13.02 C ATOM 1302 O LEU A 83 10.717 12.943 5.708 1.00 14.40 O ATOM 1303 CB LEU A 83 8.359 11.356 7.100 1.00 9.93 C ATOM 1304 CG LEU A 83 6.909 11.611 7.505 1.00 8.07 C ATOM 1305 CD1 LEU A 83 6.782 11.456 9.023 1.00 8.88 C ATOM 1306 CD2 LEU A 83 6.512 13.033 7.104 1.00 10.58 C ATOM 0 H LEU A 83 9.595 9.955 5.408 1.00 13.53 H new ATOM 0 HA LEU A 83 7.647 12.105 5.201 1.00 13.86 H new ATOM 0 HB2 LEU A 83 8.588 10.294 7.186 1.00 9.93 H new ATOM 0 HB3 LEU A 83 9.032 11.882 7.777 1.00 9.93 H new ATOM 0 HG LEU A 83 6.254 10.898 7.004 1.00 8.07 H new ATOM 0 HD11 LEU A 83 5.749 11.636 9.322 1.00 8.88 H new ATOM 0 HD12 LEU A 83 7.072 10.446 9.311 1.00 8.88 H new ATOM 0 HD13 LEU A 83 7.434 12.176 9.518 1.00 8.88 H new ATOM 0 HD21 LEU A 83 5.477 13.217 7.392 1.00 10.58 H new ATOM 0 HD22 LEU A 83 7.162 13.748 7.609 1.00 10.58 H new ATOM 0 HD23 LEU A 83 6.614 13.149 6.025 1.00 10.58 H new ATOM 1318 N VAL A 84 8.913 14.207 5.706 1.00 11.81 N ATOM 1319 CA VAL A 84 9.688 15.468 5.742 1.00 12.86 C ATOM 1320 C VAL A 84 8.905 16.477 6.594 1.00 14.98 C ATOM 1321 O VAL A 84 7.719 16.318 6.780 1.00 13.59 O ATOM 1322 CB VAL A 84 9.826 15.987 4.311 1.00 14.61 C ATOM 1323 CG1 VAL A 84 10.451 14.901 3.433 1.00 17.65 C ATOM 1324 CG2 VAL A 84 8.442 16.352 3.763 1.00 17.34 C ATOM 0 H VAL A 84 7.901 14.332 5.694 1.00 11.81 H new ATOM 0 HA VAL A 84 10.679 15.316 6.168 1.00 12.86 H new ATOM 0 HB VAL A 84 10.463 16.871 4.306 1.00 14.61 H new ATOM 0 HG11 VAL A 84 10.550 15.270 2.412 1.00 17.65 H new ATOM 0 HG12 VAL A 84 11.436 14.641 3.822 1.00 17.65 H new ATOM 0 HG13 VAL A 84 9.814 14.017 3.439 1.00 17.65 H new ATOM 0 HG21 VAL A 84 8.541 16.722 2.743 1.00 17.34 H new ATOM 0 HG22 VAL A 84 7.804 15.468 3.768 1.00 17.34 H new ATOM 0 HG23 VAL A 84 7.996 17.126 4.388 1.00 17.34 H new ATOM 1334 N PRO A 85 9.575 17.491 7.071 1.00 18.65 N ATOM 1335 CA PRO A 85 8.933 18.541 7.884 1.00 22.41 C ATOM 1336 C PRO A 85 7.888 19.299 7.052 1.00 25.70 C ATOM 1337 O PRO A 85 8.042 19.478 5.860 1.00 22.08 O ATOM 1338 CB PRO A 85 10.098 19.429 8.324 1.00 21.19 C ATOM 1339 CG PRO A 85 11.241 19.140 7.338 1.00 18.95 C ATOM 1340 CD PRO A 85 11.011 17.702 6.840 1.00 20.63 C ATOM 0 HA PRO A 85 8.383 18.155 8.742 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.818 20.482 8.300 1.00 21.19 H new ATOM 0 HB3 PRO A 85 10.398 19.202 9.347 1.00 21.19 H new ATOM 0 HG2 PRO A 85 11.230 19.847 6.509 1.00 18.95 H new ATOM 0 HG3 PRO A 85 12.211 19.235 7.825 1.00 18.95 H new ATOM 0 HD2 PRO A 85 11.269 17.595 5.786 1.00 20.63 H new ATOM 0 HD3 PRO A 85 11.617 16.983 7.391 1.00 20.63 H new ATOM 1348 N ALA A 86 6.815 19.730 7.668 1.00 31.74 N ATOM 1349 CA ALA A 86 5.751 20.455 6.911 1.00 39.94 C ATOM 1350 C ALA A 86 6.152 21.922 6.746 1.00 46.96 C ATOM 1351 O ALA A 86 6.437 22.609 7.706 1.00 49.29 O ATOM 1352 CB ALA A 86 4.432 20.370 7.685 1.00 39.70 C ATOM 0 H ALA A 86 6.631 19.610 8.664 1.00 31.74 H new ATOM 0 HA ALA A 86 5.628 20.001 5.928 1.00 39.94 H new ATOM 0 HB1 ALA A 86 3.653 20.898 7.135 1.00 39.70 H new ATOM 0 HB2 ALA A 86 4.147 19.325 7.804 1.00 39.70 H new ATOM 0 HB3 ALA A 86 4.556 20.826 8.667 1.00 39.70 H new ATOM 1358 N LYS A 87 6.176 22.408 5.536 1.00 51.78 N ATOM 1359 CA LYS A 87 6.559 23.831 5.312 1.00 55.12 C ATOM 1360 C LYS A 87 5.756 24.729 6.255 1.00 55.82 C ATOM 1361 O LYS A 87 6.317 25.698 6.740 1.00 58.05 O ATOM 1362 CB LYS A 87 6.259 24.218 3.862 1.00 52.96 C ATOM 1363 CG LYS A 87 4.782 23.964 3.560 1.00 55.49 C ATOM 1364 CD LYS A 87 4.659 23.090 2.310 1.00 56.64 C ATOM 1365 CE LYS A 87 4.241 23.956 1.121 1.00 58.91 C ATOM 1366 NZ LYS A 87 5.293 24.978 0.857 1.00 58.16 N ATOM 1367 OXT LYS A 87 4.593 24.433 6.477 1.00 57.66 O ATOM 0 H LYS A 87 5.947 21.882 4.693 1.00 51.78 H new ATOM 0 HA LYS A 87 7.624 23.956 5.509 1.00 55.12 H new ATOM 0 HB2 LYS A 87 6.499 25.269 3.698 1.00 52.96 H new ATOM 0 HB3 LYS A 87 6.885 23.638 3.183 1.00 52.96 H new ATOM 0 HG2 LYS A 87 4.306 23.473 4.408 1.00 55.49 H new ATOM 0 HG3 LYS A 87 4.263 24.910 3.407 1.00 55.49 H new ATOM 0 HD2 LYS A 87 5.610 22.601 2.100 1.00 56.64 H new ATOM 0 HD3 LYS A 87 3.925 22.302 2.475 1.00 56.64 H new ATOM 0 HE2 LYS A 87 4.094 23.334 0.238 1.00 58.91 H new ATOM 0 HE3 LYS A 87 3.289 24.444 1.330 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 5.124 25.419 -0.070 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 5.262 25.707 1.598 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 6.228 24.522 0.858 1.00 58.16 H new ATOM 1382 N MET B 1 1.893 16.996 -1.549 1.00 42.32 N ATOM 1383 CA MET B 1 0.523 16.771 -2.093 1.00 40.89 C ATOM 1384 C MET B 1 0.603 15.848 -3.307 1.00 34.75 C ATOM 1385 O MET B 1 1.136 16.209 -4.336 1.00 33.97 O ATOM 1386 CB MET B 1 -0.085 18.109 -2.520 1.00 48.45 C ATOM 1387 CG MET B 1 -1.355 17.865 -3.344 1.00 56.13 C ATOM 1388 SD MET B 1 -2.646 19.013 -2.804 1.00 64.91 S ATOM 1389 CE MET B 1 -3.318 17.989 -1.472 1.00 63.43 C ATOM 0 H1 MET B 1 1.898 17.856 -0.965 1.00 42.32 H new ATOM 0 H2 MET B 1 2.174 16.181 -0.967 1.00 42.32 H new ATOM 0 H3 MET B 1 2.565 17.108 -2.335 1.00 42.32 H new ATOM 0 HA MET B 1 -0.100 16.314 -1.324 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.321 18.708 -1.641 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.637 18.676 -3.108 1.00 48.45 H new ATOM 0 HG2 MET B 1 -1.147 18.006 -4.405 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.692 16.836 -3.219 1.00 56.13 H new ATOM 0 HE1 MET B 1 -3.641 18.628 -0.650 1.00 63.43 H new ATOM 0 HE2 MET B 1 -4.169 17.419 -1.845 1.00 63.43 H new ATOM 0 HE3 MET B 1 -2.549 17.302 -1.118 1.00 63.43 H new ATOM 1401 N ILE B 2 0.065 14.664 -3.203 1.00 28.59 N ATOM 1402 CA ILE B 2 0.102 13.733 -4.365 1.00 24.58 C ATOM 1403 C ILE B 2 -0.608 14.415 -5.535 1.00 19.29 C ATOM 1404 O ILE B 2 -1.797 14.269 -5.732 1.00 19.53 O ATOM 1405 CB ILE B 2 -0.601 12.422 -3.989 1.00 25.10 C ATOM 1406 CG1 ILE B 2 -0.107 11.960 -2.617 1.00 28.92 C ATOM 1407 CG2 ILE B 2 -0.279 11.338 -5.018 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -1.299 11.568 -1.756 1.00 33.80 C ATOM 0 H ILE B 2 -0.396 14.303 -2.368 1.00 28.59 H new ATOM 0 HA ILE B 2 1.128 13.498 -4.647 1.00 24.58 H new ATOM 0 HB ILE B 2 -1.677 12.592 -3.966 1.00 25.10 H new ATOM 0 HG12 ILE B 2 0.570 11.113 -2.728 1.00 28.92 H new ATOM 0 HG13 ILE B 2 0.458 12.757 -2.134 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.783 10.412 -4.741 1.00 23.06 H new ATOM 0 HG22 ILE B 2 -0.622 11.657 -6.002 1.00 23.06 H new ATOM 0 HG23 ILE B 2 0.798 11.171 -5.045 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.949 11.238 -0.778 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.958 12.427 -1.635 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.845 10.757 -2.238 1.00 33.80 H new ATOM 1420 N LYS B 3 0.121 15.197 -6.286 1.00 18.14 N ATOM 1421 CA LYS B 3 -0.488 15.944 -7.422 1.00 16.66 C ATOM 1422 C LYS B 3 -1.033 14.997 -8.481 1.00 14.94 C ATOM 1423 O LYS B 3 -0.641 13.851 -8.578 1.00 13.94 O ATOM 1424 CB LYS B 3 0.563 16.858 -8.053 1.00 16.94 C ATOM 1425 CG LYS B 3 0.342 18.295 -7.578 1.00 17.85 C ATOM 1426 CD LYS B 3 -0.121 19.157 -8.754 1.00 19.63 C ATOM 1427 CE LYS B 3 0.169 20.628 -8.455 1.00 26.28 C ATOM 1428 NZ LYS B 3 -0.559 21.036 -7.220 1.00 32.72 N ATOM 0 H LYS B 3 1.121 15.351 -6.159 1.00 18.14 H new ATOM 0 HA LYS B 3 -1.317 16.535 -7.033 1.00 16.66 H new ATOM 0 HB2 LYS B 3 1.563 16.523 -7.779 1.00 16.94 H new ATOM 0 HB3 LYS B 3 0.497 16.809 -9.140 1.00 16.94 H new ATOM 0 HG2 LYS B 3 -0.403 18.316 -6.783 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.265 18.697 -7.160 1.00 17.85 H new ATOM 0 HD2 LYS B 3 0.393 18.852 -9.666 1.00 19.63 H new ATOM 0 HD3 LYS B 3 -1.188 19.013 -8.926 1.00 19.63 H new ATOM 0 HE2 LYS B 3 1.241 20.780 -8.325 1.00 26.28 H new ATOM 0 HE3 LYS B 3 -0.141 21.249 -9.295 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 -0.649 22.072 -7.196 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 -1.506 20.606 -7.217 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 -0.031 20.715 -6.384 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.943 15.487 -9.280 1.00 12.42 N ATOM 1443 CA VAL B 4 -2.541 14.648 -10.348 1.00 12.99 C ATOM 1444 C VAL B 4 -3.169 15.547 -11.417 1.00 14.26 C ATOM 1445 O VAL B 4 -3.339 16.735 -11.229 1.00 13.80 O ATOM 1446 CB VAL B 4 -3.620 13.746 -9.742 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -4.222 12.853 -10.830 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -3.012 12.873 -8.642 1.00 10.41 C ATOM 0 H VAL B 4 -2.298 16.442 -9.234 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.765 14.033 -10.803 1.00 12.99 H new ATOM 0 HB VAL B 4 -4.404 14.371 -9.313 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.989 12.214 -10.393 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.667 13.475 -11.606 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -3.439 12.233 -11.267 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.785 12.234 -8.215 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -2.221 12.253 -9.065 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -2.596 13.509 -7.861 1.00 10.41 H new ATOM 1458 N GLU B 5 -3.511 14.980 -12.537 1.00 9.27 N ATOM 1459 CA GLU B 5 -4.128 15.770 -13.638 1.00 10.51 C ATOM 1460 C GLU B 5 -5.022 14.857 -14.458 1.00 10.00 C ATOM 1461 O GLU B 5 -4.563 14.058 -15.248 1.00 10.96 O ATOM 1462 CB GLU B 5 -3.031 16.349 -14.527 1.00 10.42 C ATOM 1463 CG GLU B 5 -2.571 17.676 -13.937 1.00 18.68 C ATOM 1464 CD GLU B 5 -1.655 18.393 -14.930 1.00 18.63 C ATOM 1465 OE1 GLU B 5 -2.076 18.592 -16.057 1.00 22.12 O ATOM 1466 OE2 GLU B 5 -0.547 18.732 -14.546 1.00 19.38 O ATOM 0 H GLU B 5 -3.388 13.988 -12.740 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.719 16.586 -13.222 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -2.193 15.655 -14.593 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -3.405 16.496 -15.540 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -3.434 18.301 -13.707 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -2.043 17.504 -12.999 1.00 18.68 H new ATOM 1473 N ILE B 6 -6.299 14.971 -14.275 1.00 9.86 N ATOM 1474 CA ILE B 6 -7.226 14.106 -15.054 1.00 10.60 C ATOM 1475 C ILE B 6 -7.205 14.580 -16.516 1.00 10.16 C ATOM 1476 O ILE B 6 -7.745 15.614 -16.854 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.643 14.177 -14.447 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.798 13.046 -13.428 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.705 14.007 -15.529 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.479 13.565 -12.026 1.00 13.81 C ATOM 0 H ILE B 6 -6.744 15.620 -13.626 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.912 13.063 -15.016 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.774 15.150 -13.973 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.815 12.654 -13.458 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -8.131 12.222 -13.681 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.696 14.060 -15.078 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.600 14.800 -16.270 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.579 13.039 -16.014 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.591 12.756 -11.304 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.454 13.936 -12.000 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -9.164 14.374 -11.773 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.561 13.833 -17.377 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.469 14.230 -18.810 1.00 11.59 C ATOM 1494 C LYS B 7 -7.849 14.642 -19.328 1.00 12.98 C ATOM 1495 O LYS B 7 -8.838 14.497 -18.637 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.949 13.038 -19.619 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.504 13.292 -20.068 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.694 13.908 -18.927 1.00 15.70 C ATOM 1499 CE LYS B 7 -3.316 15.343 -19.283 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.853 15.401 -20.699 1.00 25.43 N ATOM 0 H LYS B 7 -6.092 12.958 -17.144 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.789 15.075 -18.914 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -5.996 12.131 -19.016 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -6.585 12.875 -20.489 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.045 12.356 -20.385 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -4.496 13.959 -20.930 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -4.276 13.893 -18.005 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.795 13.319 -18.746 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -4.173 16.001 -19.143 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -2.529 15.698 -18.618 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -2.107 16.120 -20.791 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.476 14.473 -20.979 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -3.652 15.651 -21.316 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.872 15.140 -20.540 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.117 15.578 -21.191 1.00 11.93 C ATOM 1516 C PRO B 8 -9.909 14.361 -21.663 1.00 10.20 C ATOM 1517 O PRO B 8 -11.109 14.414 -21.847 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.630 16.422 -22.373 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.179 15.969 -22.663 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.662 15.306 -21.372 1.00 13.61 C ATOM 0 HA PRO B 8 -9.782 16.138 -20.533 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.266 16.272 -23.246 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.665 17.485 -22.132 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.151 15.268 -23.497 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.555 16.819 -22.939 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -6.187 14.347 -21.579 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.919 15.929 -20.874 1.00 13.61 H new ATOM 1528 N SER B 9 -9.240 13.261 -21.846 1.00 10.65 N ATOM 1529 CA SER B 9 -9.937 12.025 -22.290 1.00 10.83 C ATOM 1530 C SER B 9 -10.156 11.111 -21.082 1.00 10.94 C ATOM 1531 O SER B 9 -10.575 9.978 -21.216 1.00 13.16 O ATOM 1532 CB SER B 9 -9.080 11.301 -23.330 1.00 13.01 C ATOM 1533 OG SER B 9 -9.477 11.709 -24.633 1.00 15.52 O ATOM 0 H SER B 9 -8.234 13.164 -21.706 1.00 10.65 H new ATOM 0 HA SER B 9 -10.899 12.285 -22.733 1.00 10.83 H new ATOM 0 HB2 SER B 9 -8.026 11.528 -23.171 1.00 13.01 H new ATOM 0 HB3 SER B 9 -9.193 10.222 -23.224 1.00 13.01 H new ATOM 0 HG SER B 9 -8.928 11.248 -25.301 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.877 11.594 -19.899 1.00 10.02 N ATOM 1540 CA GLN B 10 -10.071 10.754 -18.686 1.00 11.55 C ATOM 1541 C GLN B 10 -10.972 11.492 -17.697 1.00 13.72 C ATOM 1542 O GLN B 10 -10.786 11.414 -16.500 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.722 10.486 -18.023 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.670 10.215 -19.094 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.803 8.773 -19.590 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.673 8.046 -19.153 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.971 8.326 -20.491 1.00 4.80 N ATOM 0 H GLN B 10 -9.523 12.534 -19.723 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.531 9.809 -18.975 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -8.427 11.343 -17.417 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.799 9.632 -17.350 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.795 10.909 -19.925 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.672 10.380 -18.688 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -6.241 8.936 -20.858 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -7.051 7.367 -20.828 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.939 12.221 -18.183 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.836 12.973 -17.258 1.00 18.95 C ATOM 1558 C ALA B 11 -14.212 12.304 -17.199 1.00 20.75 C ATOM 1559 O ALA B 11 -15.176 12.892 -16.751 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.990 14.410 -17.757 1.00 17.72 C ATOM 0 H ALA B 11 -12.147 12.329 -19.176 1.00 15.28 H new ATOM 0 HA ALA B 11 -12.398 12.974 -16.260 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.645 14.961 -17.082 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -12.013 14.891 -17.787 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -13.422 14.403 -18.758 1.00 17.72 H new ATOM 1566 N GLN B 12 -14.314 11.083 -17.644 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.623 10.386 -17.609 1.00 25.43 C ATOM 1568 C GLN B 12 -15.400 8.943 -17.132 1.00 22.80 C ATOM 1569 O GLN B 12 -14.539 8.244 -17.628 1.00 20.93 O ATOM 1570 CB GLN B 12 -16.231 10.408 -19.019 1.00 30.18 C ATOM 1571 CG GLN B 12 -17.067 9.152 -19.251 1.00 42.11 C ATOM 1572 CD GLN B 12 -18.041 9.386 -20.408 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.670 9.930 -21.429 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -19.282 8.997 -20.290 1.00 47.90 N ATOM 0 H GLN B 12 -13.543 10.539 -18.031 1.00 22.50 H new ATOM 0 HA GLN B 12 -16.310 10.881 -16.923 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -16.852 11.295 -19.141 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -15.438 10.469 -19.764 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -16.416 8.307 -19.476 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -17.618 8.898 -18.345 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -19.594 8.540 -19.433 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -19.939 9.150 -21.055 1.00 47.90 H new ATOM 1583 N PHE B 13 -16.161 8.495 -16.169 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.980 7.111 -15.664 1.00 20.51 C ATOM 1585 C PHE B 13 -16.592 6.101 -16.628 1.00 18.83 C ATOM 1586 O PHE B 13 -17.005 6.431 -17.722 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.657 6.974 -14.300 1.00 19.56 C ATOM 1588 CG PHE B 13 -18.068 7.541 -14.338 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.724 7.793 -15.557 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.723 7.809 -13.131 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.023 8.309 -15.556 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -20.022 8.323 -13.135 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.670 8.573 -14.346 1.00 18.48 C ATOM 0 H PHE B 13 -16.899 9.031 -15.713 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.912 6.912 -15.575 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.690 5.924 -14.009 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -16.071 7.496 -13.544 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.224 7.588 -16.492 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -18.223 7.618 -12.193 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.527 8.504 -16.491 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -20.525 8.527 -12.201 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.674 8.971 -14.348 1.00 18.48 H new ATOM 1603 N THR B 14 -16.666 4.873 -16.215 1.00 14.89 N ATOM 1604 CA THR B 14 -17.267 3.829 -17.083 1.00 13.37 C ATOM 1605 C THR B 14 -18.049 2.843 -16.220 1.00 11.97 C ATOM 1606 O THR B 14 -17.537 2.293 -15.266 1.00 10.76 O ATOM 1607 CB THR B 14 -16.169 3.086 -17.842 1.00 13.68 C ATOM 1608 OG1 THR B 14 -14.905 3.406 -17.279 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.201 3.506 -19.308 1.00 9.24 C ATOM 0 H THR B 14 -16.334 4.544 -15.308 1.00 14.89 H new ATOM 0 HA THR B 14 -17.938 4.301 -17.801 1.00 13.37 H new ATOM 0 HB THR B 14 -16.333 2.011 -17.768 1.00 13.68 H new ATOM 0 HG1 THR B 14 -14.200 2.928 -17.764 1.00 13.48 H new ATOM 0 HG21 THR B 14 -15.419 2.979 -19.855 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.173 3.259 -19.736 1.00 9.24 H new ATOM 0 HG23 THR B 14 -16.034 4.581 -19.382 1.00 9.24 H new ATOM 1617 N THR B 15 -19.289 2.619 -16.547 1.00 13.20 N ATOM 1618 CA THR B 15 -20.110 1.671 -15.745 1.00 12.54 C ATOM 1619 C THR B 15 -19.912 0.252 -16.278 1.00 14.34 C ATOM 1620 O THR B 15 -20.315 -0.071 -17.377 1.00 17.35 O ATOM 1621 CB THR B 15 -21.586 2.057 -15.857 1.00 11.88 C ATOM 1622 OG1 THR B 15 -21.692 3.456 -16.081 1.00 17.15 O ATOM 1623 CG2 THR B 15 -22.311 1.687 -14.564 1.00 8.30 C ATOM 0 H THR B 15 -19.771 3.051 -17.335 1.00 13.20 H new ATOM 0 HA THR B 15 -19.801 1.713 -14.700 1.00 12.54 H new ATOM 0 HB THR B 15 -22.041 1.521 -16.690 1.00 11.88 H new ATOM 0 HG1 THR B 15 -22.637 3.705 -16.155 1.00 17.15 H new ATOM 0 HG21 THR B 15 -23.363 1.962 -14.645 1.00 8.30 H new ATOM 0 HG22 THR B 15 -22.229 0.613 -14.395 1.00 8.30 H new ATOM 0 HG23 THR B 15 -21.859 2.221 -13.728 1.00 8.30 H new ATOM 1816 N LEU B 28 -20.006 -0.409 -10.714 1.00 18.57 N ATOM 1817 CA LEU B 28 -19.317 0.838 -10.277 1.00 16.31 C ATOM 1818 C LEU B 28 -18.737 1.571 -11.489 1.00 14.21 C ATOM 1819 O LEU B 28 -18.519 0.992 -12.535 1.00 16.97 O ATOM 1820 CB LEU B 28 -18.190 0.477 -9.311 1.00 16.48 C ATOM 1821 CG LEU B 28 -18.370 1.247 -8.002 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -18.431 0.260 -6.834 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.188 2.200 -7.807 1.00 22.01 C ATOM 0 HA LEU B 28 -20.035 1.490 -9.780 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -18.193 -0.596 -9.117 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -17.225 0.718 -9.756 1.00 16.48 H new ATOM 0 HG LEU B 28 -19.296 1.820 -8.040 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.559 0.808 -5.901 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -19.272 -0.419 -6.975 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -17.505 -0.314 -6.794 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.314 2.750 -6.874 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.261 1.627 -7.768 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.146 2.902 -8.640 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.484 2.845 -11.350 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.915 3.631 -12.484 1.00 9.77 C ATOM 1837 C ASN B 29 -16.405 3.791 -12.273 1.00 7.94 C ATOM 1838 O ASN B 29 -15.967 4.383 -11.307 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.561 5.024 -12.542 1.00 14.73 C ATOM 1840 CG ASN B 29 -19.779 5.089 -11.614 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -20.571 4.170 -11.568 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.962 6.146 -10.870 1.00 12.89 N ATOM 0 H ASN B 29 -18.648 3.378 -10.496 1.00 11.64 H new ATOM 0 HA ASN B 29 -18.114 3.105 -13.418 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.833 5.781 -12.251 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.863 5.249 -13.565 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -20.770 6.200 -10.250 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.297 6.918 -10.909 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.605 3.274 -13.166 1.00 8.58 N ATOM 1850 CA GLU B 30 -14.127 3.410 -13.005 1.00 13.16 C ATOM 1851 C GLU B 30 -13.676 4.735 -13.623 1.00 12.26 C ATOM 1852 O GLU B 30 -14.484 5.542 -14.037 1.00 10.58 O ATOM 1853 CB GLU B 30 -13.425 2.250 -13.714 1.00 14.93 C ATOM 1854 CG GLU B 30 -12.901 1.258 -12.673 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.782 0.008 -12.669 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -13.833 -0.660 -13.689 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -14.390 -0.261 -11.646 1.00 40.03 O ATOM 0 H GLU B 30 -15.908 2.765 -13.997 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.870 3.392 -11.946 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -14.118 1.751 -14.391 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -12.601 2.626 -14.321 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -11.870 0.988 -12.900 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -12.900 1.718 -11.685 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.395 4.968 -13.690 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.903 6.246 -14.286 1.00 9.46 C ATOM 1866 C GLN B 31 -10.378 6.216 -14.399 1.00 10.09 C ATOM 1867 O GLN B 31 -9.745 5.201 -14.184 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.313 7.423 -13.394 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.730 8.612 -14.265 1.00 10.62 C ATOM 1870 CD GLN B 31 -11.777 9.784 -14.015 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -10.763 9.628 -13.364 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -12.063 10.960 -14.504 1.00 12.39 N ATOM 0 H GLN B 31 -11.668 4.333 -13.360 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.340 6.363 -15.277 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -13.138 7.129 -12.744 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.483 7.707 -12.747 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.710 8.331 -15.318 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.754 8.906 -14.033 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -12.914 11.092 -15.051 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -11.435 11.747 -14.340 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.785 7.330 -14.734 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.303 7.384 -14.863 1.00 10.34 C ATOM 1883 C LEU B 32 -7.807 8.759 -14.408 1.00 9.02 C ATOM 1884 O LEU B 32 -8.583 9.668 -14.192 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.907 7.154 -16.323 1.00 10.20 C ATOM 1886 CG LEU B 32 -8.235 5.714 -16.720 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -9.563 5.683 -17.481 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -7.120 5.168 -17.617 1.00 15.89 C ATOM 0 H LEU B 32 -10.267 8.208 -14.924 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.854 6.609 -14.242 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.440 7.851 -16.970 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.842 7.346 -16.457 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.317 5.099 -15.824 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -9.796 4.657 -17.764 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -10.357 6.073 -16.844 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -9.483 6.297 -18.378 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -7.352 4.142 -17.901 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -7.040 5.783 -18.513 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -6.174 5.190 -17.076 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.520 8.919 -14.260 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.974 10.231 -13.820 1.00 8.10 C ATOM 1902 C CYS B 33 -4.463 10.214 -14.025 1.00 6.34 C ATOM 1903 O CYS B 33 -3.875 9.176 -14.252 1.00 8.02 O ATOM 1904 CB CYS B 33 -6.279 10.489 -12.332 1.00 8.88 C ATOM 1905 SG CYS B 33 -7.036 9.035 -11.553 1.00 13.84 S ATOM 0 H CYS B 33 -5.822 8.194 -14.426 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.439 11.024 -14.405 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -5.358 10.746 -11.809 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.948 11.344 -12.239 1.00 8.88 H new ATOM 0 HG CYS B 33 -6.403 8.753 -10.453 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.825 11.345 -13.951 1.00 7.35 N ATOM 1912 CA TYR B 34 -2.352 11.371 -14.150 1.00 7.08 C ATOM 1913 C TYR B 34 -1.676 11.887 -12.882 1.00 7.71 C ATOM 1914 O TYR B 34 -1.679 13.070 -12.613 1.00 7.80 O ATOM 1915 CB TYR B 34 -2.021 12.306 -15.307 1.00 8.67 C ATOM 1916 CG TYR B 34 -2.182 11.586 -16.627 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -1.107 10.877 -17.179 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -3.398 11.658 -17.312 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -1.246 10.247 -18.415 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -3.539 11.020 -18.548 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.461 10.319 -19.099 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.600 9.694 -20.322 1.00 21.14 O ATOM 0 H TYR B 34 -4.257 12.249 -13.762 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.996 10.365 -14.371 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.676 13.177 -15.278 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.999 12.672 -15.207 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -0.169 10.818 -16.646 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -4.227 12.205 -16.888 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -0.416 9.705 -18.842 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -4.479 11.068 -19.077 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.507 9.840 -20.663 1.00 21.14 H new ATOM 1932 N VAL B 35 -1.098 11.019 -12.097 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.434 11.484 -10.849 1.00 10.66 C ATOM 1934 C VAL B 35 0.998 11.923 -11.145 1.00 10.57 C ATOM 1935 O VAL B 35 1.681 11.357 -11.976 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.420 10.366 -9.808 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.480 10.780 -8.640 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.845 10.137 -9.299 1.00 9.86 C ATOM 0 H VAL B 35 -1.057 10.014 -12.265 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.995 12.332 -10.456 1.00 10.66 H new ATOM 0 HB VAL B 35 -0.040 9.447 -10.254 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.495 9.986 -7.893 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.492 10.954 -9.005 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.094 11.695 -8.190 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.842 9.340 -8.555 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -2.221 11.054 -8.846 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.488 9.853 -10.132 1.00 9.86 H new ATOM 1948 N ASP B 36 1.451 12.929 -10.455 1.00 8.58 N ATOM 1949 CA ASP B 36 2.830 13.428 -10.658 1.00 11.48 C ATOM 1950 C ASP B 36 3.527 13.514 -9.297 1.00 12.38 C ATOM 1951 O ASP B 36 3.354 12.657 -8.454 1.00 11.89 O ATOM 1952 CB ASP B 36 2.780 14.811 -11.308 1.00 16.17 C ATOM 1953 CG ASP B 36 1.904 14.756 -12.561 1.00 17.97 C ATOM 1954 OD1 ASP B 36 0.726 14.470 -12.424 1.00 25.89 O ATOM 1955 OD2 ASP B 36 2.427 15.001 -13.636 1.00 15.67 O ATOM 0 H ASP B 36 0.913 13.432 -9.749 1.00 8.58 H new ATOM 0 HA ASP B 36 3.382 12.751 -11.310 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.380 15.541 -10.604 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.786 15.138 -11.569 1.00 16.17 H new ATOM 1960 N LEU B 37 4.309 14.536 -9.066 1.00 13.17 N ATOM 1961 CA LEU B 37 4.999 14.648 -7.752 1.00 18.47 C ATOM 1962 C LEU B 37 6.047 13.550 -7.640 1.00 21.14 C ATOM 1963 O LEU B 37 7.232 13.807 -7.569 1.00 24.24 O ATOM 1964 CB LEU B 37 3.982 14.488 -6.633 1.00 15.81 C ATOM 1965 CG LEU B 37 4.348 15.441 -5.506 1.00 20.59 C ATOM 1966 CD1 LEU B 37 5.818 15.244 -5.131 1.00 14.72 C ATOM 1967 CD2 LEU B 37 4.127 16.883 -5.971 1.00 20.01 C ATOM 0 H LEU B 37 4.497 15.291 -9.726 1.00 13.17 H new ATOM 0 HA LEU B 37 5.479 15.623 -7.673 1.00 18.47 H new ATOM 0 HB2 LEU B 37 2.979 14.704 -7.000 1.00 15.81 H new ATOM 0 HB3 LEU B 37 3.975 13.460 -6.272 1.00 15.81 H new ATOM 0 HG LEU B 37 3.722 15.239 -4.637 1.00 20.59 H new ATOM 0 HD11 LEU B 37 6.082 15.926 -4.323 1.00 14.72 H new ATOM 0 HD12 LEU B 37 5.975 14.216 -4.804 1.00 14.72 H new ATOM 0 HD13 LEU B 37 6.445 15.449 -5.999 1.00 14.72 H new ATOM 0 HD21 LEU B 37 4.388 17.569 -5.165 1.00 20.01 H new ATOM 0 HD22 LEU B 37 4.755 17.086 -6.839 1.00 20.01 H new ATOM 0 HD23 LEU B 37 3.080 17.022 -6.241 1.00 20.01 H new ATOM 1979 N GLY B 38 5.616 12.322 -7.647 1.00 20.70 N ATOM 1980 CA GLY B 38 6.577 11.194 -7.566 1.00 23.91 C ATOM 1981 C GLY B 38 7.064 10.867 -8.977 1.00 26.50 C ATOM 1982 O GLY B 38 7.617 9.815 -9.229 1.00 31.02 O ATOM 0 H GLY B 38 4.634 12.051 -7.706 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.419 11.460 -6.927 1.00 23.91 H new ATOM 0 HA3 GLY B 38 6.100 10.322 -7.119 1.00 23.91 H new ATOM 1986 N ASN B 39 6.857 11.769 -9.900 1.00 27.64 N ATOM 1987 CA ASN B 39 7.299 11.528 -11.299 1.00 30.27 C ATOM 1988 C ASN B 39 6.976 12.762 -12.145 1.00 26.79 C ATOM 1989 O ASN B 39 5.827 13.078 -12.384 1.00 26.87 O ATOM 1990 CB ASN B 39 6.576 10.303 -11.875 1.00 35.62 C ATOM 1991 CG ASN B 39 5.241 10.095 -11.155 1.00 41.31 C ATOM 1992 OD1 ASN B 39 4.575 11.045 -10.796 1.00 43.23 O ATOM 1993 ND2 ASN B 39 4.820 8.880 -10.928 1.00 39.63 N ATOM 0 H ASN B 39 6.398 12.666 -9.741 1.00 27.64 H new ATOM 0 HA ASN B 39 8.373 11.342 -11.313 1.00 30.27 H new ATOM 0 HB2 ASN B 39 6.405 10.440 -12.943 1.00 35.62 H new ATOM 0 HB3 ASN B 39 7.200 9.417 -11.764 1.00 35.62 H new ATOM 0 HD21 ASN B 39 3.932 8.729 -10.449 1.00 39.63 H new ATOM 0 HD22 ASN B 39 5.379 8.082 -11.229 1.00 39.63 H new ATOM 2000 N GLU B 40 7.984 13.464 -12.590 1.00 25.15 N ATOM 2001 CA GLU B 40 7.752 14.684 -13.413 1.00 23.81 C ATOM 2002 C GLU B 40 6.619 14.433 -14.398 1.00 21.12 C ATOM 2003 O GLU B 40 5.554 15.012 -14.305 1.00 19.86 O ATOM 2004 CB GLU B 40 9.029 15.033 -14.181 1.00 27.22 C ATOM 2005 CG GLU B 40 10.177 15.248 -13.193 1.00 34.87 C ATOM 2006 CD GLU B 40 10.557 16.729 -13.167 1.00 38.97 C ATOM 2007 OE1 GLU B 40 11.227 17.165 -14.089 1.00 42.34 O ATOM 2008 OE2 GLU B 40 10.172 17.402 -12.225 1.00 39.54 O ATOM 0 H GLU B 40 8.964 13.242 -12.417 1.00 25.15 H new ATOM 0 HA GLU B 40 7.482 15.513 -12.759 1.00 23.81 H new ATOM 0 HB2 GLU B 40 9.279 14.231 -14.876 1.00 27.22 H new ATOM 0 HB3 GLU B 40 8.874 15.933 -14.776 1.00 27.22 H new ATOM 0 HG2 GLU B 40 9.880 14.920 -12.197 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.038 14.646 -13.483 1.00 34.87 H new ATOM 2015 N HIS B 41 6.842 13.568 -15.333 1.00 5.02 N ATOM 2016 CA HIS B 41 5.780 13.258 -16.331 1.00 4.70 C ATOM 2017 C HIS B 41 4.557 12.716 -15.590 1.00 3.89 C ATOM 2018 O HIS B 41 4.686 12.167 -14.513 1.00 3.13 O ATOM 2019 CB HIS B 41 6.294 12.208 -17.318 1.00 4.93 C ATOM 2020 CG HIS B 41 7.393 12.803 -18.156 1.00 4.86 C ATOM 2021 ND1 HIS B 41 7.576 14.172 -18.269 1.00 4.07 N ATOM 2022 CD2 HIS B 41 8.374 12.228 -18.926 1.00 5.56 C ATOM 2023 CE1 HIS B 41 8.630 14.374 -19.080 1.00 4.32 C ATOM 2024 NE2 HIS B 41 9.154 13.222 -19.509 1.00 5.25 N ATOM 0 H HIS B 41 7.716 13.056 -15.456 1.00 5.02 H new ATOM 0 HA HIS B 41 5.511 14.159 -16.882 1.00 4.70 H new ATOM 0 HB2 HIS B 41 6.665 11.337 -16.778 1.00 4.93 H new ATOM 0 HB3 HIS B 41 5.480 11.865 -17.957 1.00 4.93 H new ATOM 0 HD2 HIS B 41 8.518 11.166 -19.059 1.00 5.56 H new ATOM 0 HE1 HIS B 41 9.007 15.349 -19.351 1.00 4.32 H new ATOM 0 HE2 HIS B 41 9.954 13.098 -20.130 1.00 5.25 H new ATOM 2032 N PRO B 42 3.404 12.893 -16.178 1.00 15.11 N ATOM 2033 CA PRO B 42 2.141 12.434 -15.578 1.00 16.08 C ATOM 2034 C PRO B 42 1.984 10.924 -15.761 1.00 17.92 C ATOM 2035 O PRO B 42 2.348 10.370 -16.780 1.00 17.13 O ATOM 2036 CB PRO B 42 1.075 13.190 -16.369 1.00 16.41 C ATOM 2037 CG PRO B 42 1.720 13.570 -17.717 1.00 13.79 C ATOM 2038 CD PRO B 42 3.246 13.558 -17.489 1.00 16.28 C ATOM 0 HA PRO B 42 2.082 12.619 -14.506 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.192 12.569 -16.522 1.00 16.41 H new ATOM 0 HB3 PRO B 42 0.749 14.080 -15.830 1.00 16.41 H new ATOM 0 HG2 PRO B 42 1.438 12.861 -18.496 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.384 14.554 -18.045 1.00 13.79 H new ATOM 0 HD2 PRO B 42 3.764 13.013 -18.278 1.00 16.28 H new ATOM 0 HD3 PRO B 42 3.656 14.568 -17.477 1.00 16.28 H new ATOM 2046 N VAL B 43 1.443 10.254 -14.784 1.00 16.29 N ATOM 2047 CA VAL B 43 1.259 8.783 -14.903 1.00 14.28 C ATOM 2048 C VAL B 43 -0.232 8.460 -14.944 1.00 9.00 C ATOM 2049 O VAL B 43 -0.947 8.658 -13.984 1.00 7.99 O ATOM 2050 CB VAL B 43 1.893 8.091 -13.701 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.404 8.329 -13.710 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.293 8.657 -12.412 1.00 20.57 C ATOM 0 H VAL B 43 1.120 10.662 -13.907 1.00 16.29 H new ATOM 0 HA VAL B 43 1.735 8.431 -15.818 1.00 14.28 H new ATOM 0 HB VAL B 43 1.696 7.020 -13.754 1.00 17.96 H new ATOM 0 HG11 VAL B 43 3.855 7.834 -12.850 1.00 18.07 H new ATOM 0 HG12 VAL B 43 3.831 7.924 -14.628 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.604 9.399 -13.659 1.00 18.07 H new ATOM 0 HG21 VAL B 43 1.746 8.163 -11.552 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.488 9.728 -12.359 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.217 8.484 -12.405 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.705 7.965 -16.052 1.00 10.19 N ATOM 2063 CA LEU B 44 -2.150 7.638 -16.165 1.00 11.55 C ATOM 2064 C LEU B 44 -2.488 6.434 -15.286 1.00 10.61 C ATOM 2065 O LEU B 44 -2.079 5.320 -15.551 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.486 7.316 -17.618 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.973 7.001 -17.734 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.786 8.164 -17.160 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -4.340 6.798 -19.207 1.00 20.21 C ATOM 0 H LEU B 44 -0.150 7.773 -16.886 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.735 8.496 -15.833 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -2.231 8.161 -18.258 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.895 6.467 -17.960 1.00 10.60 H new ATOM 0 HG LEU B 44 -4.196 6.091 -17.177 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.850 7.940 -17.242 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.526 8.307 -16.111 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.563 9.074 -17.717 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -5.403 6.573 -19.289 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -4.117 7.707 -19.766 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.761 5.970 -19.615 1.00 20.21 H new ATOM 2081 N VAL B 45 -3.244 6.653 -14.249 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.633 5.538 -13.350 1.00 9.29 C ATOM 2083 C VAL B 45 -5.129 5.302 -13.478 1.00 9.95 C ATOM 2084 O VAL B 45 -5.790 5.870 -14.324 1.00 9.36 O ATOM 2085 CB VAL B 45 -3.303 5.909 -11.909 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -1.866 6.428 -11.831 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -4.267 6.998 -11.425 1.00 10.20 C ATOM 0 H VAL B 45 -3.612 7.567 -13.985 1.00 10.81 H new ATOM 0 HA VAL B 45 -3.089 4.635 -13.625 1.00 9.29 H new ATOM 0 HB VAL B 45 -3.406 5.027 -11.276 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -1.630 6.693 -10.800 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -1.180 5.653 -12.172 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -1.762 7.309 -12.465 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -4.030 7.262 -10.394 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -4.167 7.880 -12.058 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -5.291 6.627 -11.478 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.669 4.466 -12.647 1.00 10.76 N ATOM 2098 CA LYS B 46 -7.125 4.194 -12.729 1.00 12.81 C ATOM 2099 C LYS B 46 -7.840 4.753 -11.497 1.00 13.35 C ATOM 2100 O LYS B 46 -7.259 4.913 -10.443 1.00 12.90 O ATOM 2101 CB LYS B 46 -7.362 2.685 -12.815 1.00 17.04 C ATOM 2102 CG LYS B 46 -6.911 2.172 -14.184 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.255 0.687 -14.310 1.00 33.77 C ATOM 2104 CE LYS B 46 -8.410 0.514 -15.297 1.00 34.48 C ATOM 2105 NZ LYS B 46 -9.453 -0.364 -14.694 1.00 36.74 N ATOM 0 H LYS B 46 -5.169 3.960 -11.916 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.523 4.679 -13.620 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.812 2.175 -12.025 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -8.418 2.463 -12.662 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -7.401 2.738 -14.976 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -5.838 2.319 -14.304 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -6.384 0.128 -14.652 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -7.531 0.283 -13.336 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.837 1.485 -15.547 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -8.045 0.077 -16.227 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -10.238 -0.482 -15.365 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -9.041 -1.294 -14.477 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.808 0.070 -13.818 1.00 36.74 H new ATOM 2119 N ILE B 47 -9.106 5.047 -11.630 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.881 5.590 -10.484 1.00 16.93 C ATOM 2121 C ILE B 47 -11.167 4.770 -10.321 1.00 16.52 C ATOM 2122 O ILE B 47 -11.588 4.071 -11.221 1.00 17.67 O ATOM 2123 CB ILE B 47 -10.201 7.079 -10.747 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.347 7.945 -9.822 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -11.683 7.392 -10.486 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -9.886 7.840 -8.393 1.00 18.26 C ATOM 0 H ILE B 47 -9.638 4.932 -12.493 1.00 13.96 H new ATOM 0 HA ILE B 47 -9.303 5.520 -9.563 1.00 16.93 H new ATOM 0 HB ILE B 47 -9.982 7.293 -11.793 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -8.308 7.619 -9.856 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -9.366 8.983 -10.155 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -11.872 8.448 -10.681 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -12.305 6.785 -11.144 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.925 7.166 -9.448 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -9.280 8.456 -7.729 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -10.919 8.187 -8.367 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.844 6.802 -8.064 1.00 18.26 H new ATOM 2138 N THR B 48 -11.794 4.857 -9.181 1.00 16.86 N ATOM 2139 CA THR B 48 -13.049 4.093 -8.959 1.00 16.59 C ATOM 2140 C THR B 48 -14.191 5.071 -8.674 1.00 19.04 C ATOM 2141 O THR B 48 -14.639 5.203 -7.552 1.00 22.56 O ATOM 2142 CB THR B 48 -12.866 3.161 -7.764 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.586 2.549 -7.833 1.00 17.90 O ATOM 2144 CG2 THR B 48 -13.950 2.087 -7.783 1.00 16.02 C ATOM 0 H THR B 48 -11.489 5.427 -8.392 1.00 16.86 H new ATOM 0 HA THR B 48 -13.285 3.506 -9.846 1.00 16.59 H new ATOM 0 HB THR B 48 -12.944 3.735 -6.840 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.467 1.952 -7.065 1.00 17.90 H new ATOM 0 HG21 THR B 48 -13.818 1.422 -6.929 1.00 16.02 H new ATOM 0 HG22 THR B 48 -14.931 2.559 -7.727 1.00 16.02 H new ATOM 0 HG23 THR B 48 -13.876 1.512 -8.706 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.659 5.759 -9.682 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.770 6.733 -9.480 1.00 18.82 C ATOM 2154 C LEU B 49 -16.804 6.143 -8.517 1.00 20.06 C ATOM 2155 O LEU B 49 -17.207 5.004 -8.645 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.441 7.024 -10.825 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.328 8.512 -11.159 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -17.288 9.309 -10.272 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.892 8.983 -10.916 1.00 14.50 C ATOM 0 H LEU B 49 -14.317 5.687 -10.640 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.369 7.656 -9.061 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.972 6.431 -11.610 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.490 6.731 -10.788 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.588 8.670 -12.206 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -17.208 10.370 -10.510 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -18.310 8.974 -10.449 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -17.031 9.152 -9.224 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.812 10.044 -11.154 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.629 8.825 -9.870 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.211 8.416 -11.551 1.00 14.50 H new ATOM 2171 N ASP B 50 -17.235 6.909 -7.552 1.00 22.62 N ATOM 2172 CA ASP B 50 -18.240 6.393 -6.581 1.00 27.04 C ATOM 2173 C ASP B 50 -19.469 5.879 -7.335 1.00 27.73 C ATOM 2174 O ASP B 50 -19.441 5.696 -8.536 1.00 26.65 O ATOM 2175 CB ASP B 50 -18.660 7.519 -5.634 1.00 29.11 C ATOM 2176 CG ASP B 50 -18.541 7.040 -4.186 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -18.531 5.838 -3.979 1.00 33.99 O ATOM 2178 OD2 ASP B 50 -18.461 7.884 -3.308 1.00 30.76 O ATOM 0 H ASP B 50 -16.934 7.871 -7.394 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.800 5.577 -6.007 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -18.030 8.395 -5.791 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -19.686 7.822 -5.845 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.547 5.644 -6.639 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.778 5.143 -7.310 1.00 34.22 C ATOM 2185 C GLU B 51 -22.252 6.160 -8.343 1.00 34.98 C ATOM 2186 O GLU B 51 -21.969 6.053 -9.519 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.875 4.928 -6.265 1.00 38.24 C ATOM 2188 CG GLU B 51 -24.205 4.658 -6.969 1.00 46.84 C ATOM 2189 CD GLU B 51 -24.862 3.416 -6.365 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -25.604 3.569 -5.409 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -24.611 2.334 -6.868 1.00 53.83 O ATOM 0 H GLU B 51 -20.628 5.778 -5.631 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.558 4.199 -7.809 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -22.617 4.089 -5.619 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.961 5.807 -5.627 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -24.865 5.519 -6.863 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -24.040 4.512 -8.036 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.977 7.142 -7.907 1.00 34.53 N ATOM 2199 CA GLY B 52 -23.485 8.179 -8.850 1.00 34.93 C ATOM 2200 C GLY B 52 -22.618 9.436 -8.748 1.00 36.10 C ATOM 2201 O GLY B 52 -23.112 10.545 -8.770 1.00 35.97 O ATOM 0 H GLY B 52 -23.245 7.277 -6.932 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.469 7.796 -9.870 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -24.522 8.420 -8.616 1.00 34.93 H new ATOM 2205 N GLN B 53 -21.328 9.271 -8.636 1.00 36.52 N ATOM 2206 CA GLN B 53 -20.431 10.457 -8.532 1.00 35.40 C ATOM 2207 C GLN B 53 -19.999 10.901 -9.934 1.00 31.02 C ATOM 2208 O GLN B 53 -19.944 10.101 -10.847 1.00 29.05 O ATOM 2209 CB GLN B 53 -19.194 10.090 -7.711 1.00 41.20 C ATOM 2210 CG GLN B 53 -19.317 10.687 -6.308 1.00 47.61 C ATOM 2211 CD GLN B 53 -18.000 11.361 -5.921 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -17.442 12.117 -6.692 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -17.476 11.118 -4.751 1.00 54.76 N ATOM 0 H GLN B 53 -20.857 8.367 -8.612 1.00 36.52 H new ATOM 0 HA GLN B 53 -20.965 11.272 -8.043 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -19.094 9.006 -7.649 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -18.295 10.466 -8.200 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -20.130 11.412 -6.280 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -19.562 9.905 -5.589 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -17.945 10.484 -4.104 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -16.598 11.563 -4.483 1.00 54.76 H new ATOM 2222 N PRO B 54 -19.707 12.171 -10.059 1.00 27.43 N ATOM 2223 CA PRO B 54 -19.276 12.769 -11.335 1.00 23.44 C ATOM 2224 C PRO B 54 -17.803 12.451 -11.613 1.00 20.14 C ATOM 2225 O PRO B 54 -16.926 12.815 -10.855 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.476 14.268 -11.116 1.00 24.39 C ATOM 2227 CG PRO B 54 -19.462 14.489 -9.589 1.00 27.18 C ATOM 2228 CD PRO B 54 -19.780 13.130 -8.940 1.00 28.37 C ATOM 0 HA PRO B 54 -19.833 12.389 -12.192 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.684 14.840 -11.599 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.419 14.602 -11.548 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -18.490 14.856 -9.260 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -20.200 15.238 -9.300 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -19.062 12.884 -8.157 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -20.768 13.130 -8.479 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.528 11.773 -12.695 1.00 17.21 N ATOM 2237 CA ALA B 55 -16.120 11.428 -13.030 1.00 15.58 C ATOM 2238 C ALA B 55 -15.198 12.614 -12.738 1.00 16.41 C ATOM 2239 O ALA B 55 -15.571 13.759 -12.897 1.00 13.65 O ATOM 2240 CB ALA B 55 -16.033 11.078 -14.514 1.00 13.98 C ATOM 0 H ALA B 55 -18.224 11.442 -13.364 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.807 10.579 -12.423 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -15.004 10.824 -14.768 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.680 10.227 -14.726 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.353 11.933 -15.109 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.989 12.344 -12.320 1.00 15.93 N ATOM 2247 CA TYR B 56 -13.034 13.449 -12.027 1.00 14.61 C ATOM 2248 C TYR B 56 -12.968 14.389 -13.233 1.00 15.51 C ATOM 2249 O TYR B 56 -12.298 14.114 -14.208 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.643 12.866 -11.763 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.644 12.060 -10.477 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -12.790 12.012 -9.668 1.00 7.14 C ATOM 2253 CD2 TYR B 56 -10.498 11.356 -10.105 1.00 12.42 C ATOM 2254 CE1 TYR B 56 -12.781 11.260 -8.488 1.00 7.90 C ATOM 2255 CE2 TYR B 56 -10.489 10.608 -8.927 1.00 11.47 C ATOM 2256 CZ TYR B 56 -11.629 10.557 -8.117 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.617 9.815 -6.954 1.00 12.03 O ATOM 0 H TYR B 56 -13.623 11.404 -12.169 1.00 15.93 H new ATOM 0 HA TYR B 56 -13.370 13.999 -11.148 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -11.343 12.232 -12.597 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.911 13.671 -11.695 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -13.678 12.555 -9.956 1.00 7.14 H new ATOM 0 HD2 TYR B 56 -9.617 11.390 -10.729 1.00 12.42 H new ATOM 0 HE1 TYR B 56 -13.662 11.222 -7.864 1.00 7.90 H new ATOM 0 HE2 TYR B 56 -9.600 10.067 -8.640 1.00 11.47 H new ATOM 0 HH TYR B 56 -12.521 9.486 -6.766 1.00 12.03 H new ATOM 2267 N ALA B 57 -13.659 15.494 -13.176 1.00 13.38 N ATOM 2268 CA ALA B 57 -13.635 16.446 -14.322 1.00 14.95 C ATOM 2269 C ALA B 57 -12.190 16.647 -14.790 1.00 15.46 C ATOM 2270 O ALA B 57 -11.264 16.205 -14.140 1.00 17.82 O ATOM 2271 CB ALA B 57 -14.219 17.790 -13.882 1.00 14.98 C ATOM 0 H ALA B 57 -14.239 15.779 -12.386 1.00 13.38 H new ATOM 0 HA ALA B 57 -14.230 16.042 -15.141 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -14.201 18.486 -14.720 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -15.247 17.648 -13.549 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.625 18.194 -13.062 1.00 14.98 H new ATOM 2277 N PRO B 58 -12.045 17.313 -15.907 1.00 15.20 N ATOM 2278 CA PRO B 58 -10.724 17.596 -16.496 1.00 16.55 C ATOM 2279 C PRO B 58 -10.050 18.750 -15.751 1.00 16.75 C ATOM 2280 O PRO B 58 -10.450 19.891 -15.863 1.00 17.28 O ATOM 2281 CB PRO B 58 -11.053 17.992 -17.939 1.00 15.65 C ATOM 2282 CG PRO B 58 -12.528 18.459 -17.938 1.00 14.16 C ATOM 2283 CD PRO B 58 -13.182 17.846 -16.686 1.00 13.96 C ATOM 0 HA PRO B 58 -10.035 16.753 -16.439 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -10.394 18.789 -18.283 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.913 17.148 -18.615 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -12.590 19.547 -17.914 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -13.039 18.130 -18.843 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.737 18.594 -16.120 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.888 17.058 -16.950 1.00 13.96 H new ATOM 2291 N GLY B 59 -9.032 18.463 -14.987 1.00 17.22 N ATOM 2292 CA GLY B 59 -8.343 19.548 -14.235 1.00 15.08 C ATOM 2293 C GLY B 59 -7.208 18.961 -13.396 1.00 14.96 C ATOM 2294 O GLY B 59 -6.957 17.774 -13.421 1.00 13.79 O ATOM 0 H GLY B 59 -8.649 17.527 -14.852 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.947 20.289 -14.930 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -9.054 20.064 -13.590 1.00 15.08 H new ATOM 2298 N LEU B 60 -6.523 19.785 -12.647 1.00 15.83 N ATOM 2299 CA LEU B 60 -5.413 19.276 -11.795 1.00 14.53 C ATOM 2300 C LEU B 60 -6.012 18.525 -10.610 1.00 14.15 C ATOM 2301 O LEU B 60 -7.100 18.827 -10.164 1.00 13.27 O ATOM 2302 CB LEU B 60 -4.584 20.453 -11.281 1.00 15.84 C ATOM 2303 CG LEU B 60 -3.421 20.705 -12.234 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -3.942 21.370 -13.510 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -2.399 21.623 -11.558 1.00 15.01 C ATOM 0 H LEU B 60 -6.686 20.790 -12.590 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.773 18.611 -12.376 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -5.206 21.345 -11.204 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -4.209 20.239 -10.280 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.946 19.757 -12.488 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -3.111 21.550 -14.192 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -4.670 20.716 -13.990 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -4.417 22.318 -13.258 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -1.567 21.804 -12.238 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -2.873 22.571 -11.304 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.028 21.148 -10.650 1.00 15.01 H new ATOM 2317 N TYR B 61 -5.327 17.541 -10.097 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.895 16.788 -8.953 1.00 9.57 C ATOM 2319 C TYR B 61 -4.856 16.556 -7.875 1.00 11.76 C ATOM 2320 O TYR B 61 -3.666 16.668 -8.084 1.00 11.26 O ATOM 2321 CB TYR B 61 -6.427 15.444 -9.432 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.831 15.640 -9.922 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -8.061 16.398 -11.071 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.902 15.086 -9.214 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -9.366 16.603 -11.518 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -10.208 15.292 -9.659 1.00 13.99 C ATOM 2327 CZ TYR B 61 -10.438 16.051 -10.811 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.727 16.252 -11.260 1.00 14.61 O ATOM 0 H TYR B 61 -4.410 17.231 -10.418 1.00 11.12 H new ATOM 0 HA TYR B 61 -6.705 17.383 -8.531 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.798 15.049 -10.230 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -6.406 14.717 -8.621 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -7.230 16.825 -11.613 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.719 14.500 -8.325 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -9.548 17.187 -12.408 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -11.039 14.867 -9.116 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.706 16.551 -12.193 1.00 14.61 H new ATOM 2338 N THR B 62 -5.325 16.207 -6.721 1.00 12.22 N ATOM 2339 CA THR B 62 -4.429 15.921 -5.589 1.00 14.26 C ATOM 2340 C THR B 62 -5.081 14.816 -4.788 1.00 15.40 C ATOM 2341 O THR B 62 -6.188 14.949 -4.304 1.00 16.24 O ATOM 2342 CB THR B 62 -4.257 17.156 -4.717 1.00 15.07 C ATOM 2343 OG1 THR B 62 -5.467 17.416 -4.018 1.00 18.36 O ATOM 2344 CG2 THR B 62 -3.902 18.349 -5.599 1.00 11.61 C ATOM 0 H THR B 62 -6.318 16.106 -6.513 1.00 12.22 H new ATOM 0 HA THR B 62 -3.441 15.627 -5.944 1.00 14.26 H new ATOM 0 HB THR B 62 -3.457 16.988 -3.996 1.00 15.07 H new ATOM 0 HG1 THR B 62 -5.929 16.571 -3.839 1.00 18.36 H new ATOM 0 HG21 THR B 62 -3.778 19.236 -4.978 1.00 11.61 H new ATOM 0 HG22 THR B 62 -2.972 18.145 -6.130 1.00 11.61 H new ATOM 0 HG23 THR B 62 -4.702 18.519 -6.320 1.00 11.61 H new ATOM 2352 N VAL B 63 -4.423 13.719 -4.667 1.00 14.65 N ATOM 2353 CA VAL B 63 -5.024 12.593 -3.921 1.00 15.17 C ATOM 2354 C VAL B 63 -5.574 13.110 -2.594 1.00 14.24 C ATOM 2355 O VAL B 63 -5.347 14.241 -2.211 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.976 11.518 -3.687 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.642 10.269 -3.126 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -3.295 11.179 -5.020 1.00 18.64 C ATOM 0 H VAL B 63 -3.494 13.546 -5.050 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.841 12.157 -4.496 1.00 15.17 H new ATOM 0 HB VAL B 63 -3.233 11.881 -2.976 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.889 9.499 -2.959 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -5.130 10.510 -2.182 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -5.384 9.903 -3.835 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.542 10.408 -4.858 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -4.040 10.815 -5.727 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.818 12.073 -5.423 1.00 18.64 H new ATOM 2368 N HIS B 64 -6.306 12.295 -1.902 1.00 13.31 N ATOM 2369 CA HIS B 64 -6.894 12.729 -0.604 1.00 10.78 C ATOM 2370 C HIS B 64 -6.658 11.632 0.437 1.00 14.19 C ATOM 2371 O HIS B 64 -6.998 10.479 0.221 1.00 11.59 O ATOM 2372 CB HIS B 64 -8.397 12.957 -0.790 1.00 11.86 C ATOM 2373 CG HIS B 64 -8.928 13.885 0.271 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -8.441 13.892 1.569 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -9.936 14.817 0.245 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -9.157 14.790 2.266 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -10.080 15.386 1.507 1.00 20.65 N ATOM 0 H HIS B 64 -6.527 11.338 -2.178 1.00 13.31 H new ATOM 0 HA HIS B 64 -6.428 13.655 -0.267 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -8.587 13.378 -1.777 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -8.923 12.004 -0.743 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -10.527 15.070 -0.623 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -9.005 15.004 3.314 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -10.747 16.104 1.791 1.00 20.65 H new ATOM 2385 N LEU B 65 -6.074 11.978 1.558 1.00 12.93 N ATOM 2386 CA LEU B 65 -5.804 10.960 2.614 1.00 14.44 C ATOM 2387 C LEU B 65 -7.111 10.375 3.137 1.00 12.66 C ATOM 2388 O LEU B 65 -7.107 9.422 3.891 1.00 10.20 O ATOM 2389 CB LEU B 65 -5.067 11.606 3.780 1.00 14.94 C ATOM 2390 CG LEU B 65 -3.711 12.122 3.317 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -3.800 13.617 3.015 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -2.697 11.877 4.427 1.00 19.03 C ATOM 0 H LEU B 65 -5.773 12.926 1.785 1.00 12.93 H new ATOM 0 HA LEU B 65 -5.197 10.168 2.175 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -5.659 12.427 4.185 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -4.935 10.882 4.584 1.00 14.94 H new ATOM 0 HG LEU B 65 -3.404 11.602 2.410 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -2.827 13.980 2.684 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.536 13.786 2.229 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -4.100 14.153 3.915 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -1.719 12.241 4.113 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -3.009 12.406 5.328 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -2.637 10.809 4.636 1.00 19.03 H new ATOM 2404 N SER B 66 -8.232 10.915 2.747 1.00 13.51 N ATOM 2405 CA SER B 66 -9.517 10.352 3.232 1.00 10.39 C ATOM 2406 C SER B 66 -9.457 8.834 3.069 1.00 8.56 C ATOM 2407 O SER B 66 -10.140 8.092 3.746 1.00 11.70 O ATOM 2408 CB SER B 66 -10.672 10.917 2.404 1.00 12.88 C ATOM 2409 OG SER B 66 -11.662 9.911 2.231 1.00 14.72 O ATOM 0 H SER B 66 -8.312 11.715 2.119 1.00 13.51 H new ATOM 0 HA SER B 66 -9.678 10.615 4.278 1.00 10.39 H new ATOM 0 HB2 SER B 66 -11.102 11.785 2.904 1.00 12.88 H new ATOM 0 HB3 SER B 66 -10.308 11.256 1.434 1.00 12.88 H new ATOM 0 HG SER B 66 -12.545 10.330 2.155 1.00 14.72 H new ATOM 2415 N SER B 67 -8.634 8.376 2.162 1.00 7.98 N ATOM 2416 CA SER B 67 -8.506 6.913 1.927 1.00 8.20 C ATOM 2417 C SER B 67 -7.283 6.347 2.668 1.00 11.02 C ATOM 2418 O SER B 67 -7.130 5.148 2.787 1.00 11.45 O ATOM 2419 CB SER B 67 -8.347 6.660 0.429 1.00 8.01 C ATOM 2420 OG SER B 67 -9.255 7.490 -0.284 1.00 11.22 O ATOM 0 H SER B 67 -8.042 8.960 1.571 1.00 7.98 H new ATOM 0 HA SER B 67 -9.401 6.418 2.302 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.323 6.870 0.119 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.540 5.611 0.203 1.00 8.01 H new ATOM 0 HG SER B 67 -9.800 6.939 -0.883 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.401 7.186 3.151 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.191 6.665 3.857 1.00 11.79 C ATOM 2428 C PHE B 68 -5.541 6.309 5.301 1.00 12.69 C ATOM 2429 O PHE B 68 -6.478 6.827 5.874 1.00 14.25 O ATOM 2430 CB PHE B 68 -4.080 7.727 3.866 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.829 8.249 2.469 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.477 7.675 1.363 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.964 9.332 2.286 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -4.257 8.188 0.084 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -2.742 9.840 1.003 1.00 9.89 C ATOM 2436 CZ PHE B 68 -3.390 9.268 -0.097 1.00 11.87 C ATOM 0 H PHE B 68 -6.465 8.202 3.088 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.843 5.777 3.330 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.362 8.550 4.522 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -3.163 7.298 4.270 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -5.145 6.838 1.502 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -2.467 9.776 3.136 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.758 7.750 -0.767 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -2.070 10.674 0.861 1.00 9.89 H new ATOM 0 HZ PHE B 68 -3.220 9.662 -1.088 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.778 5.434 5.893 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.037 5.041 7.305 1.00 15.38 C ATOM 2448 C LYS B 69 -3.734 4.544 7.927 1.00 15.02 C ATOM 2449 O LYS B 69 -2.767 4.286 7.239 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.083 3.925 7.356 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.986 3.065 6.093 1.00 20.35 C ATOM 2452 CD LYS B 69 -4.717 2.213 6.150 1.00 21.35 C ATOM 2453 CE LYS B 69 -4.924 0.932 5.339 1.00 30.24 C ATOM 2454 NZ LYS B 69 -5.441 -0.143 6.232 1.00 32.70 N ATOM 0 H LYS B 69 -3.981 4.971 5.456 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.412 5.902 7.858 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -5.926 3.307 8.240 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.082 4.354 7.439 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.863 2.424 6.009 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -5.970 3.701 5.208 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -3.871 2.775 5.753 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -4.478 1.966 7.185 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.627 1.113 4.526 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -3.984 0.621 4.884 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -5.582 -1.014 5.681 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -4.755 -0.322 6.993 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -6.347 0.155 6.646 1.00 32.70 H new ATOM 2468 N VAL B 70 -3.699 4.402 9.221 1.00 13.65 N ATOM 2469 CA VAL B 70 -2.453 3.916 9.877 1.00 13.49 C ATOM 2470 C VAL B 70 -2.634 2.452 10.280 1.00 11.85 C ATOM 2471 O VAL B 70 -3.569 2.098 10.970 1.00 12.13 O ATOM 2472 CB VAL B 70 -2.153 4.757 11.114 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -0.689 4.569 11.516 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -2.416 6.234 10.809 1.00 15.63 C ATOM 0 H VAL B 70 -4.476 4.600 9.852 1.00 13.65 H new ATOM 0 HA VAL B 70 -1.620 4.004 9.180 1.00 13.49 H new ATOM 0 HB VAL B 70 -2.798 4.439 11.933 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -0.474 5.170 12.400 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -0.505 3.518 11.738 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.043 4.885 10.697 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -2.201 6.832 11.694 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -1.774 6.556 9.989 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -3.460 6.367 10.526 1.00 15.63 H new ATOM 2484 N GLY B 71 -1.748 1.598 9.849 1.00 11.15 N ATOM 2485 CA GLY B 71 -1.868 0.154 10.199 1.00 11.07 C ATOM 2486 C GLY B 71 -1.372 -0.074 11.628 1.00 12.15 C ATOM 2487 O GLY B 71 -0.856 0.822 12.265 1.00 12.70 O ATOM 0 H GLY B 71 -0.944 1.838 9.268 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -2.906 -0.167 10.109 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -1.286 -0.449 9.502 1.00 11.07 H new ATOM 2491 N GLN B 72 -1.526 -1.266 12.138 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.065 -1.546 13.524 1.00 19.42 C ATOM 2493 C GLN B 72 0.456 -1.684 13.546 1.00 16.97 C ATOM 2494 O GLN B 72 1.063 -1.885 14.580 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.714 -2.840 14.023 1.00 22.64 C ATOM 2496 CG GLN B 72 -1.046 -3.290 15.324 1.00 25.29 C ATOM 2497 CD GLN B 72 0.129 -4.220 15.008 1.00 26.29 C ATOM 2498 OE1 GLN B 72 1.190 -4.091 15.584 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -0.015 -5.159 14.112 1.00 25.15 N ATOM 0 H GLN B 72 -1.951 -2.056 11.653 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.354 -0.722 14.176 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.780 -2.683 14.187 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -1.619 -3.619 13.267 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.695 -2.422 15.883 1.00 25.29 H new ATOM 0 HG3 GLN B 72 -1.770 -3.805 15.956 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -0.906 -5.269 13.627 1.00 25.15 H new ATOM 0 HE22 GLN B 72 0.763 -5.783 13.897 1.00 25.15 H new ATOM 2508 N PHE B 73 1.073 -1.569 12.412 1.00 14.56 N ATOM 2509 CA PHE B 73 2.557 -1.685 12.346 1.00 14.60 C ATOM 2510 C PHE B 73 3.186 -0.300 12.512 1.00 15.63 C ATOM 2511 O PHE B 73 4.359 -0.171 12.802 1.00 17.80 O ATOM 2512 CB PHE B 73 2.964 -2.270 10.992 1.00 12.63 C ATOM 2513 CG PHE B 73 2.340 -3.635 10.823 1.00 14.99 C ATOM 2514 CD1 PHE B 73 2.563 -4.630 11.783 1.00 19.79 C ATOM 2515 CD2 PHE B 73 1.539 -3.906 9.707 1.00 16.27 C ATOM 2516 CE1 PHE B 73 1.984 -5.896 11.626 1.00 18.68 C ATOM 2517 CE2 PHE B 73 0.960 -5.171 9.551 1.00 20.44 C ATOM 2518 CZ PHE B 73 1.183 -6.166 10.511 1.00 17.88 C ATOM 0 H PHE B 73 0.614 -1.398 11.517 1.00 14.56 H new ATOM 0 HA PHE B 73 2.905 -2.340 13.145 1.00 14.60 H new ATOM 0 HB2 PHE B 73 2.642 -1.609 10.187 1.00 12.63 H new ATOM 0 HB3 PHE B 73 4.050 -2.345 10.928 1.00 12.63 H new ATOM 0 HD1 PHE B 73 3.181 -4.421 12.644 1.00 19.79 H new ATOM 0 HD2 PHE B 73 1.368 -3.139 8.966 1.00 16.27 H new ATOM 0 HE1 PHE B 73 2.156 -6.664 12.366 1.00 18.68 H new ATOM 0 HE2 PHE B 73 0.342 -5.380 8.691 1.00 20.44 H new ATOM 0 HZ PHE B 73 0.737 -7.142 10.391 1.00 17.88 H new ATOM 2528 N GLY B 74 2.416 0.739 12.330 1.00 13.82 N ATOM 2529 CA GLY B 74 2.972 2.112 12.477 1.00 13.44 C ATOM 2530 C GLY B 74 3.474 2.612 11.121 1.00 10.42 C ATOM 2531 O GLY B 74 4.600 3.047 10.989 1.00 13.62 O ATOM 0 H GLY B 74 1.427 0.695 12.086 1.00 13.82 H new ATOM 0 HA2 GLY B 74 2.207 2.785 12.863 1.00 13.44 H new ATOM 0 HA3 GLY B 74 3.788 2.109 13.199 1.00 13.44 H new ATOM 2535 N SER B 75 2.649 2.555 10.113 1.00 12.64 N ATOM 2536 CA SER B 75 3.083 3.031 8.768 1.00 12.47 C ATOM 2537 C SER B 75 1.855 3.410 7.939 1.00 12.47 C ATOM 2538 O SER B 75 1.034 2.576 7.611 1.00 11.32 O ATOM 2539 CB SER B 75 3.856 1.918 8.059 1.00 11.21 C ATOM 2540 OG SER B 75 5.096 1.710 8.723 1.00 18.27 O ATOM 0 H SER B 75 1.694 2.200 10.161 1.00 12.64 H new ATOM 0 HA SER B 75 3.726 3.904 8.881 1.00 12.47 H new ATOM 0 HB2 SER B 75 3.272 0.998 8.058 1.00 11.21 H new ATOM 0 HB3 SER B 75 4.029 2.187 7.017 1.00 11.21 H new ATOM 0 HG SER B 75 5.217 2.396 9.412 1.00 18.27 H new ATOM 2546 N LEU B 76 1.721 4.663 7.598 1.00 12.43 N ATOM 2547 CA LEU B 76 0.545 5.094 6.791 1.00 12.18 C ATOM 2548 C LEU B 76 0.405 4.184 5.568 1.00 12.07 C ATOM 2549 O LEU B 76 1.369 3.622 5.087 1.00 9.82 O ATOM 2550 CB LEU B 76 0.742 6.540 6.331 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.563 7.067 5.731 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.749 8.536 6.120 1.00 9.28 C ATOM 2553 CD2 LEU B 76 -0.508 6.946 4.206 1.00 7.80 C ATOM 0 H LEU B 76 2.375 5.406 7.843 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.357 5.027 7.400 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.045 7.163 7.173 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.542 6.592 5.592 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.400 6.482 6.113 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.679 8.911 5.692 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.788 8.623 7.206 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.088 9.122 5.739 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -1.437 7.321 3.777 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.329 7.530 3.825 1.00 7.80 H new ATOM 0 HD23 LEU B 76 -0.377 5.900 3.928 1.00 7.80 H new ATOM 2565 N MET B 77 -0.789 4.035 5.064 1.00 14.08 N ATOM 2566 CA MET B 77 -0.991 3.161 3.875 1.00 14.12 C ATOM 2567 C MET B 77 -2.319 3.507 3.199 1.00 11.37 C ATOM 2568 O MET B 77 -3.369 3.471 3.811 1.00 11.44 O ATOM 2569 CB MET B 77 -1.014 1.697 4.317 1.00 16.48 C ATOM 2570 CG MET B 77 0.414 1.226 4.597 1.00 24.75 C ATOM 2571 SD MET B 77 0.454 -0.582 4.647 1.00 35.11 S ATOM 2572 CE MET B 77 2.221 -0.780 4.308 1.00 33.86 C ATOM 0 H MET B 77 -1.633 4.481 5.424 1.00 14.08 H new ATOM 0 HA MET B 77 -0.175 3.319 3.170 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.627 1.586 5.211 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.467 1.079 3.542 1.00 16.48 H new ATOM 0 HG2 MET B 77 1.088 1.594 3.823 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.764 1.634 5.545 1.00 24.75 H new ATOM 0 HE1 MET B 77 2.472 -1.841 4.293 1.00 33.86 H new ATOM 0 HE2 MET B 77 2.458 -0.337 3.341 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.799 -0.282 5.086 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.278 3.841 1.939 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.533 4.189 1.212 1.00 11.62 C ATOM 2584 C ILE B 78 -4.485 2.987 1.208 1.00 11.45 C ATOM 2585 O ILE B 78 -4.075 1.856 1.035 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.205 4.536 -0.237 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.414 5.843 -0.308 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.502 4.677 -1.031 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -1.084 5.591 -1.018 1.00 13.67 C ATOM 0 H ILE B 78 -1.427 3.888 1.379 1.00 11.78 H new ATOM 0 HA ILE B 78 -4.001 5.037 1.711 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.598 3.737 -0.663 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.987 6.600 -0.843 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.236 6.229 0.696 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.269 4.925 -2.067 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.053 3.737 -0.998 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.111 5.470 -0.596 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.518 6.521 -1.070 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.511 4.848 -0.464 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.274 5.225 -2.027 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.753 3.231 1.370 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.748 2.115 1.347 1.00 14.79 C ATOM 2603 C ASP B 79 -7.610 2.242 0.082 1.00 15.20 C ATOM 2604 O ASP B 79 -8.268 1.312 -0.340 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.640 2.194 2.587 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.736 1.130 2.496 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -8.416 -0.037 2.649 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.877 1.501 2.274 1.00 21.87 O ATOM 0 H ASP B 79 -6.150 4.159 1.518 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.227 1.157 1.344 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.044 2.042 3.487 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.086 3.185 2.664 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.591 3.398 -0.518 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.374 3.655 -1.760 1.00 17.14 C ATOM 2615 C ARG B 80 -8.317 5.156 -2.007 1.00 14.98 C ATOM 2616 O ARG B 80 -9.302 5.863 -1.942 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.825 3.196 -1.589 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.628 3.573 -2.836 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.357 2.338 -3.372 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.817 2.468 -3.102 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.670 1.696 -3.721 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -13.249 0.806 -4.579 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.948 1.815 -3.482 1.00 35.04 N ATOM 0 H ARG B 80 -7.050 4.198 -0.190 1.00 17.08 H new ATOM 0 HA ARG B 80 -7.960 3.102 -2.603 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -9.861 2.118 -1.432 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.264 3.661 -0.706 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.347 4.356 -2.595 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.963 3.976 -3.601 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -11.182 2.235 -4.443 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.967 1.438 -2.897 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.151 3.161 -2.432 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -12.251 0.712 -4.768 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.918 0.205 -5.060 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.279 2.510 -2.813 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.615 1.213 -3.964 1.00 35.04 H new ATOM 2637 N LEU B 81 -7.130 5.622 -2.242 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.863 7.069 -2.454 1.00 11.27 C ATOM 2639 C LEU B 81 -8.079 7.816 -3.018 1.00 15.61 C ATOM 2640 O LEU B 81 -8.549 7.541 -4.104 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.645 7.202 -3.375 1.00 13.62 C ATOM 2642 CG LEU B 81 -6.067 7.482 -4.813 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.821 7.799 -5.644 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.759 6.238 -5.382 1.00 18.72 C ATOM 0 H LEU B 81 -6.297 5.035 -2.299 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.656 7.535 -1.491 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -5.003 8.007 -3.019 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -5.056 6.285 -3.338 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.753 8.328 -4.844 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -5.113 8.001 -6.675 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.321 8.675 -5.230 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.141 6.947 -5.619 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.064 6.430 -6.411 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.068 5.395 -5.360 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.637 6.003 -4.781 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.564 8.789 -2.291 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.715 9.592 -2.787 1.00 12.72 C ATOM 2658 C ARG B 82 -9.143 10.774 -3.569 1.00 13.33 C ATOM 2659 O ARG B 82 -8.631 11.714 -3.001 1.00 13.27 O ATOM 2660 CB ARG B 82 -10.538 10.104 -1.603 1.00 13.85 C ATOM 2661 CG ARG B 82 -12.015 9.768 -1.820 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.574 9.095 -0.567 1.00 16.62 C ATOM 2663 NE ARG B 82 -13.843 9.774 -0.155 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.912 11.077 -0.049 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -12.833 11.813 -0.113 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -15.064 11.644 0.182 1.00 16.89 N ATOM 0 H ARG B 82 -8.210 9.061 -1.374 1.00 13.37 H new ATOM 0 HA ARG B 82 -10.364 8.987 -3.420 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -10.184 9.650 -0.678 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -10.411 11.182 -1.498 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -12.577 10.676 -2.040 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -12.126 9.108 -2.680 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -12.762 8.039 -0.762 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.844 9.145 0.241 1.00 16.62 H new ATOM 0 HE ARG B 82 -14.669 9.211 0.047 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -11.923 11.373 -0.247 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -12.902 12.827 -0.029 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -15.903 11.073 0.279 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -15.125 12.659 0.266 1.00 16.89 H new ATOM 2680 N LEU B 83 -9.182 10.719 -4.867 1.00 13.53 N ATOM 2681 CA LEU B 83 -8.593 11.827 -5.670 1.00 13.86 C ATOM 2682 C LEU B 83 -9.509 13.049 -5.695 1.00 13.02 C ATOM 2683 O LEU B 83 -10.719 12.946 -5.712 1.00 14.40 O ATOM 2684 CB LEU B 83 -8.362 11.359 -7.101 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.913 11.615 -7.508 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -6.786 11.460 -9.025 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -6.515 13.037 -7.106 1.00 10.58 C ATOM 0 H LEU B 83 -9.594 9.959 -5.408 1.00 13.53 H new ATOM 0 HA LEU B 83 -7.649 12.108 -5.203 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -8.590 10.296 -7.186 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -9.036 11.884 -7.777 1.00 9.93 H new ATOM 0 HG LEU B 83 -6.258 10.901 -7.008 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -5.754 11.641 -9.324 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -7.075 10.449 -9.313 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -7.439 12.179 -9.520 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -5.481 13.221 -7.396 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -7.166 13.753 -7.609 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -6.615 13.151 -6.027 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.915 14.210 -5.708 1.00 11.81 N ATOM 2700 CA VAL B 84 -9.689 15.471 -5.745 1.00 12.86 C ATOM 2701 C VAL B 84 -8.905 16.479 -6.596 1.00 14.98 C ATOM 2702 O VAL B 84 -7.718 16.323 -6.780 1.00 13.59 O ATOM 2703 CB VAL B 84 -9.826 15.990 -4.314 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -10.449 14.904 -3.434 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -8.442 16.357 -3.766 1.00 17.34 C ATOM 0 H VAL B 84 -7.903 14.334 -5.694 1.00 11.81 H new ATOM 0 HA VAL B 84 -10.680 15.319 -6.172 1.00 12.86 H new ATOM 0 HB VAL B 84 -10.464 16.873 -4.310 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -10.547 15.274 -2.413 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -11.434 14.643 -3.821 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -9.811 14.020 -3.440 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -8.541 16.727 -2.746 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -7.803 15.474 -3.771 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -7.997 17.131 -4.391 1.00 17.34 H new ATOM 2715 N PRO B 85 -9.575 17.493 -7.075 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.933 18.543 -7.887 1.00 22.41 C ATOM 2717 C PRO B 85 -7.889 19.302 -7.055 1.00 25.70 C ATOM 2718 O PRO B 85 -8.043 19.480 -5.863 1.00 22.08 O ATOM 2719 CB PRO B 85 -10.099 19.430 -8.327 1.00 21.19 C ATOM 2720 CG PRO B 85 -11.241 19.140 -7.341 1.00 18.95 C ATOM 2721 CD PRO B 85 -11.011 17.702 -6.845 1.00 20.63 C ATOM 0 HA PRO B 85 -8.381 18.157 -8.744 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.820 20.483 -8.303 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -10.399 19.203 -9.350 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -11.230 19.846 -6.511 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -12.212 19.235 -7.828 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -11.270 17.593 -5.792 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -11.616 16.984 -7.398 1.00 20.63 H new ATOM 2729 N ALA B 86 -6.817 19.734 -7.671 1.00 31.74 N ATOM 2730 CA ALA B 86 -5.753 20.460 -6.914 1.00 39.94 C ATOM 2731 C ALA B 86 -6.154 21.927 -6.748 1.00 46.96 C ATOM 2732 O ALA B 86 -6.438 22.614 -7.709 1.00 49.29 O ATOM 2733 CB ALA B 86 -4.434 20.377 -7.688 1.00 39.70 C ATOM 0 H ALA B 86 -6.633 19.615 -8.667 1.00 31.74 H new ATOM 0 HA ALA B 86 -5.630 20.005 -5.931 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -3.656 20.906 -7.138 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -4.148 19.332 -7.808 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -4.559 20.834 -8.670 1.00 39.70 H new ATOM 2739 N LYS B 87 -6.178 22.412 -5.538 1.00 51.78 N ATOM 2740 CA LYS B 87 -6.561 23.835 -5.314 1.00 55.12 C ATOM 2741 C LYS B 87 -5.761 24.733 -6.260 1.00 55.82 C ATOM 2742 O LYS B 87 -6.322 25.706 -6.737 1.00 58.05 O ATOM 2743 CB LYS B 87 -6.261 24.225 -3.865 1.00 52.96 C ATOM 2744 CG LYS B 87 -4.783 23.972 -3.562 1.00 55.49 C ATOM 2745 CD LYS B 87 -4.660 23.095 -2.315 1.00 56.64 C ATOM 2746 CE LYS B 87 -4.244 23.957 -1.122 1.00 58.91 C ATOM 2747 NZ LYS B 87 -5.295 24.978 -0.855 1.00 58.16 N ATOM 2748 OXT LYS B 87 -4.601 24.433 -6.491 1.00 57.66 O ATOM 0 H LYS B 87 -5.949 21.886 -4.695 1.00 51.78 H new ATOM 0 HA LYS B 87 -7.626 23.958 -5.509 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -6.501 25.276 -3.703 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -6.886 23.647 -3.185 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -4.305 23.484 -4.411 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -4.266 24.919 -3.406 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -5.611 22.604 -2.108 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -3.925 22.308 -2.482 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -4.098 23.331 -0.241 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -3.292 24.446 -1.328 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -5.089 25.462 0.042 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -5.308 25.673 -1.628 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -6.223 24.513 -0.792 1.00 58.16 H new