USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 949 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 114 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0746 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -62:sc= 0.131 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.56! C(o=-3.6!,f=-4.7!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.419 K(o=-0.42,f=-4.3!) USER MOD Single : A 20 TYR OH : rot -25:sc= 0.0242 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0277 USER MOD Single : A 24 GLN : amide:sc= -9.92! C(o=-9.9!,f=-12!) USER MOD Single : A 25 THR OG1 : rot -45:sc= 0.488 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00752) USER MOD Single : A 51 GLN : amide:sc= -0.814 X(o=-0.81,f=-0.47) USER MOD Single : A 54 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.0064) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.356 K(o=-0.36,f=-5!) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.00782) USER MOD Single : A 79 SER OG : rot 82:sc= 1.51 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -99:sc= -0.753 (180deg=-2.54!) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.953 USER MOD Single : A 92 HIS : no HE2:sc= -4.33! K(o=-4.3!,f=-2.9) USER MOD Single : A 95 LYS NZ :NH3+ -133:sc= -0.104 (180deg=-2.25!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 98 LYS NZ :NH3+ -130:sc= 0.558 (180deg=-0.297) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.797 K(o=-0.8,f=-3.7!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot -52:sc= 0.797 USER MOD Single : A 113 ASN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.548 -25.616 -2.946 1.00 0.00 N ATOM 2 CA GLY A 1 1.442 -25.033 -4.271 1.00 0.00 C ATOM 3 C GLY A 1 1.119 -23.553 -4.229 1.00 0.00 C ATOM 4 O GLY A 1 1.123 -22.940 -3.161 1.00 0.00 O ATOM 0 H1 GLY A 1 2.501 -26.011 -2.816 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.377 -24.882 -2.229 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.842 -26.373 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.380 -25.182 -4.806 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.668 -25.555 -4.833 1.00 0.00 H new ATOM 8 N SER A 2 0.839 -22.977 -5.393 1.00 0.00 N ATOM 9 CA SER A 2 0.517 -21.557 -5.486 1.00 0.00 C ATOM 10 C SER A 2 -0.755 -21.237 -4.706 1.00 0.00 C ATOM 11 O SER A 2 -1.865 -21.462 -5.188 1.00 0.00 O ATOM 12 CB SER A 2 0.349 -21.145 -6.949 1.00 0.00 C ATOM 13 OG SER A 2 0.110 -19.753 -7.063 1.00 0.00 O ATOM 0 H SER A 2 0.828 -23.471 -6.285 1.00 0.00 H new ATOM 0 HA SER A 2 1.342 -20.993 -5.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.245 -21.410 -7.510 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.480 -21.697 -7.393 1.00 0.00 H new ATOM 0 HG SER A 2 0.008 -19.515 -8.008 1.00 0.00 H new ATOM 19 N SER A 3 -0.584 -20.710 -3.498 1.00 0.00 N ATOM 20 CA SER A 3 -1.717 -20.361 -2.649 1.00 0.00 C ATOM 21 C SER A 3 -1.288 -19.417 -1.531 1.00 0.00 C ATOM 22 O SER A 3 -0.288 -19.652 -0.854 1.00 0.00 O ATOM 23 CB SER A 3 -2.343 -21.624 -2.054 1.00 0.00 C ATOM 24 OG SER A 3 -1.384 -22.376 -1.330 1.00 0.00 O ATOM 0 H SER A 3 0.328 -20.515 -3.085 1.00 0.00 H new ATOM 0 HA SER A 3 -2.458 -19.852 -3.265 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.167 -21.350 -1.396 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.763 -22.236 -2.852 1.00 0.00 H new ATOM 0 HG SER A 3 -0.675 -22.674 -1.938 1.00 0.00 H new ATOM 30 N GLY A 4 -2.053 -18.345 -1.343 1.00 0.00 N ATOM 31 CA GLY A 4 -1.736 -17.380 -0.306 1.00 0.00 C ATOM 32 C GLY A 4 -1.246 -18.039 0.969 1.00 0.00 C ATOM 33 O GLY A 4 -1.883 -18.957 1.485 1.00 0.00 O ATOM 0 H GLY A 4 -2.886 -18.128 -1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.973 -16.694 -0.673 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.621 -16.784 -0.086 1.00 0.00 H new ATOM 37 N SER A 5 -0.111 -17.570 1.477 1.00 0.00 N ATOM 38 CA SER A 5 0.466 -18.123 2.697 1.00 0.00 C ATOM 39 C SER A 5 0.340 -17.136 3.854 1.00 0.00 C ATOM 40 O SER A 5 -0.251 -17.448 4.888 1.00 0.00 O ATOM 41 CB SER A 5 1.937 -18.479 2.473 1.00 0.00 C ATOM 42 OG SER A 5 2.064 -19.669 1.715 1.00 0.00 O ATOM 0 H SER A 5 0.427 -16.809 1.063 1.00 0.00 H new ATOM 0 HA SER A 5 -0.085 -19.028 2.953 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.438 -17.660 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.435 -18.602 3.435 1.00 0.00 H new ATOM 0 HG SER A 5 3.013 -19.874 1.584 1.00 0.00 H new ATOM 48 N SER A 6 0.900 -15.945 3.671 1.00 0.00 N ATOM 49 CA SER A 6 0.854 -14.913 4.700 1.00 0.00 C ATOM 50 C SER A 6 -0.271 -13.919 4.423 1.00 0.00 C ATOM 51 O SER A 6 -0.390 -13.392 3.318 1.00 0.00 O ATOM 52 CB SER A 6 2.193 -14.177 4.773 1.00 0.00 C ATOM 53 OG SER A 6 3.228 -15.043 5.205 1.00 0.00 O ATOM 0 H SER A 6 1.391 -15.671 2.820 1.00 0.00 H new ATOM 0 HA SER A 6 0.660 -15.397 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.441 -13.769 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.111 -13.333 5.458 1.00 0.00 H new ATOM 0 HG SER A 6 4.074 -14.549 5.242 1.00 0.00 H new ATOM 59 N GLY A 7 -1.094 -13.670 5.437 1.00 0.00 N ATOM 60 CA GLY A 7 -2.198 -12.741 5.285 1.00 0.00 C ATOM 61 C GLY A 7 -3.409 -13.140 6.104 1.00 0.00 C ATOM 62 O GLY A 7 -4.087 -14.118 5.789 1.00 0.00 O ATOM 0 H GLY A 7 -1.016 -14.095 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.874 -11.744 5.584 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.478 -12.683 4.233 1.00 0.00 H new ATOM 66 N LYS A 8 -3.681 -12.383 7.162 1.00 0.00 N ATOM 67 CA LYS A 8 -4.818 -12.663 8.031 1.00 0.00 C ATOM 68 C LYS A 8 -5.566 -11.379 8.378 1.00 0.00 C ATOM 69 O LYS A 8 -5.004 -10.284 8.372 1.00 0.00 O ATOM 70 CB LYS A 8 -4.349 -13.355 9.313 1.00 0.00 C ATOM 71 CG LYS A 8 -3.775 -14.742 9.080 1.00 0.00 C ATOM 72 CD LYS A 8 -3.240 -15.347 10.367 1.00 0.00 C ATOM 73 CE LYS A 8 -2.792 -16.786 10.162 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.790 -17.205 11.181 1.00 0.00 N ATOM 0 H LYS A 8 -3.129 -11.571 7.438 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.498 -13.326 7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.594 -12.735 9.795 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.189 -13.430 10.004 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.546 -15.391 8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.974 -14.686 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.402 -14.752 10.729 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.012 -15.311 11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.658 -17.446 10.211 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.364 -16.895 9.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.510 -18.191 11.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.953 -16.591 11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.207 -17.126 12.131 1.00 0.00 H new ATOM 88 N PRO A 9 -6.864 -11.515 8.690 1.00 0.00 N ATOM 89 CA PRO A 9 -7.715 -10.377 9.048 1.00 0.00 C ATOM 90 C PRO A 9 -7.350 -9.784 10.405 1.00 0.00 C ATOM 91 O PRO A 9 -7.287 -10.495 11.407 1.00 0.00 O ATOM 92 CB PRO A 9 -9.120 -10.984 9.090 1.00 0.00 C ATOM 93 CG PRO A 9 -8.899 -12.429 9.381 1.00 0.00 C ATOM 94 CD PRO A 9 -7.599 -12.791 8.718 1.00 0.00 C ATOM 0 HA PRO A 9 -7.612 -9.553 8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.732 -10.514 9.860 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.640 -10.846 8.142 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.852 -12.608 10.455 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.717 -13.035 8.992 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.060 -13.553 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.756 -13.187 7.715 1.00 0.00 H new ATOM 102 N ASN A 10 -7.111 -8.477 10.429 1.00 0.00 N ATOM 103 CA ASN A 10 -6.753 -7.788 11.664 1.00 0.00 C ATOM 104 C ASN A 10 -7.965 -7.085 12.266 1.00 0.00 C ATOM 105 O ASN A 10 -9.049 -7.081 11.681 1.00 0.00 O ATOM 106 CB ASN A 10 -5.638 -6.774 11.401 1.00 0.00 C ATOM 107 CG ASN A 10 -4.677 -7.237 10.323 1.00 0.00 C ATOM 108 OD1 ASN A 10 -4.072 -8.303 10.432 1.00 0.00 O ATOM 109 ND2 ASN A 10 -4.532 -6.434 9.275 1.00 0.00 N ATOM 0 H ASN A 10 -7.159 -7.874 9.608 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.397 -8.532 12.377 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -6.079 -5.822 11.106 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.086 -6.597 12.324 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.899 -6.692 8.518 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.054 -5.559 9.227 1.00 0.00 H new ATOM 116 N LEU A 11 -7.774 -6.489 13.438 1.00 0.00 N ATOM 117 CA LEU A 11 -8.851 -5.780 14.120 1.00 0.00 C ATOM 118 C LEU A 11 -9.581 -4.845 13.162 1.00 0.00 C ATOM 119 O LEU A 11 -10.806 -4.885 13.051 1.00 0.00 O ATOM 120 CB LEU A 11 -8.296 -4.985 15.303 1.00 0.00 C ATOM 121 CG LEU A 11 -9.245 -4.791 16.486 1.00 0.00 C ATOM 122 CD1 LEU A 11 -10.304 -3.750 16.157 1.00 0.00 C ATOM 123 CD2 LEU A 11 -9.895 -6.112 16.871 1.00 0.00 C ATOM 0 H LEU A 11 -6.884 -6.483 13.936 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.562 -6.519 14.488 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.397 -5.487 15.662 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.990 -4.002 14.943 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.665 -4.433 17.336 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.970 -3.626 17.011 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -9.822 -2.799 15.932 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.881 -4.078 15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.567 -5.955 17.715 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.461 -6.500 16.024 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.123 -6.829 17.151 1.00 0.00 H new ATOM 135 N GLY A 12 -8.819 -4.005 12.467 1.00 0.00 N ATOM 136 CA GLY A 12 -9.411 -3.073 11.525 1.00 0.00 C ATOM 137 C GLY A 12 -9.792 -3.736 10.216 1.00 0.00 C ATOM 138 O GLY A 12 -9.525 -3.201 9.141 1.00 0.00 O ATOM 0 H GLY A 12 -7.803 -3.954 12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.297 -2.623 11.972 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.707 -2.264 11.328 1.00 0.00 H new ATOM 142 N ASN A 13 -10.417 -4.905 10.307 1.00 0.00 N ATOM 143 CA ASN A 13 -10.834 -5.643 9.120 1.00 0.00 C ATOM 144 C ASN A 13 -9.838 -5.449 7.981 1.00 0.00 C ATOM 145 O ASN A 13 -10.224 -5.175 6.845 1.00 0.00 O ATOM 146 CB ASN A 13 -12.227 -5.193 8.677 1.00 0.00 C ATOM 147 CG ASN A 13 -13.276 -5.419 9.749 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.901 -6.478 9.808 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.474 -4.421 10.603 1.00 0.00 N ATOM 0 H ASN A 13 -10.646 -5.362 11.190 1.00 0.00 H new ATOM 0 HA ASN A 13 -10.866 -6.702 9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -12.199 -4.135 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.511 -5.735 7.775 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.167 -4.515 11.345 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.933 -3.561 10.516 1.00 0.00 H new ATOM 156 N GLY A 14 -8.554 -5.593 8.294 1.00 0.00 N ATOM 157 CA GLY A 14 -7.522 -5.430 7.286 1.00 0.00 C ATOM 158 C GLY A 14 -6.823 -6.733 6.955 1.00 0.00 C ATOM 159 O GLY A 14 -7.418 -7.806 7.054 1.00 0.00 O ATOM 0 H GLY A 14 -8.210 -5.820 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.966 -5.019 6.379 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.787 -4.706 7.637 1.00 0.00 H new ATOM 163 N ALA A 15 -5.558 -6.641 6.560 1.00 0.00 N ATOM 164 CA ALA A 15 -4.778 -7.823 6.214 1.00 0.00 C ATOM 165 C ALA A 15 -3.317 -7.654 6.619 1.00 0.00 C ATOM 166 O ALA A 15 -2.636 -6.740 6.155 1.00 0.00 O ATOM 167 CB ALA A 15 -4.884 -8.108 4.723 1.00 0.00 C ATOM 0 H ALA A 15 -5.051 -5.760 6.472 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.186 -8.671 6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.297 -8.993 4.479 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.927 -8.281 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.504 -7.254 4.162 1.00 0.00 H new ATOM 173 N ASP A 16 -2.843 -8.541 7.487 1.00 0.00 N ATOM 174 CA ASP A 16 -1.462 -8.490 7.955 1.00 0.00 C ATOM 175 C ASP A 16 -0.522 -9.141 6.945 1.00 0.00 C ATOM 176 O ASP A 16 -0.563 -10.354 6.735 1.00 0.00 O ATOM 177 CB ASP A 16 -1.335 -9.186 9.311 1.00 0.00 C ATOM 178 CG ASP A 16 0.109 -9.353 9.742 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.780 -10.271 9.228 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.568 -8.564 10.596 1.00 0.00 O ATOM 0 H ASP A 16 -3.394 -9.304 7.881 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.180 -7.443 8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.872 -8.609 10.064 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.812 -10.165 9.260 1.00 0.00 H new ATOM 185 N LEU A 17 0.322 -8.327 6.321 1.00 0.00 N ATOM 186 CA LEU A 17 1.272 -8.823 5.331 1.00 0.00 C ATOM 187 C LEU A 17 2.706 -8.679 5.832 1.00 0.00 C ATOM 188 O LEU A 17 3.023 -7.802 6.637 1.00 0.00 O ATOM 189 CB LEU A 17 1.103 -8.069 4.011 1.00 0.00 C ATOM 190 CG LEU A 17 -0.301 -7.544 3.712 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.231 -6.278 2.872 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.130 -8.609 3.008 1.00 0.00 C ATOM 0 H LEU A 17 0.368 -7.321 6.483 1.00 0.00 H new ATOM 0 HA LEU A 17 1.069 -9.881 5.167 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.793 -7.225 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.403 -8.730 3.198 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.786 -7.301 4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.240 -5.919 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.324 -5.512 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.273 -6.494 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.127 -8.218 2.803 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.648 -8.884 2.070 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.210 -9.489 3.646 1.00 0.00 H new ATOM 204 N PRO A 18 3.594 -9.557 5.345 1.00 0.00 N ATOM 205 CA PRO A 18 5.009 -9.547 5.728 1.00 0.00 C ATOM 206 C PRO A 18 5.752 -8.338 5.170 1.00 0.00 C ATOM 207 O PRO A 18 6.815 -7.967 5.666 1.00 0.00 O ATOM 208 CB PRO A 18 5.553 -10.839 5.113 1.00 0.00 C ATOM 209 CG PRO A 18 4.643 -11.125 3.968 1.00 0.00 C ATOM 210 CD PRO A 18 3.286 -10.628 4.383 1.00 0.00 C ATOM 0 HA PRO A 18 5.138 -9.486 6.809 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.583 -10.715 4.779 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.548 -11.655 5.836 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.983 -10.621 3.064 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.617 -12.192 3.747 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.718 -10.252 3.532 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.691 -11.419 4.839 1.00 0.00 H new ATOM 218 N ASN A 19 5.184 -7.727 4.135 1.00 0.00 N ATOM 219 CA ASN A 19 5.793 -6.558 3.509 1.00 0.00 C ATOM 220 C ASN A 19 5.284 -5.271 4.149 1.00 0.00 C ATOM 221 O ASN A 19 6.008 -4.278 4.234 1.00 0.00 O ATOM 222 CB ASN A 19 5.499 -6.546 2.008 1.00 0.00 C ATOM 223 CG ASN A 19 5.946 -7.822 1.321 1.00 0.00 C ATOM 224 OD1 ASN A 19 6.340 -8.788 1.975 1.00 0.00 O ATOM 225 ND2 ASN A 19 5.888 -7.831 -0.006 1.00 0.00 N ATOM 0 H ASN A 19 4.304 -8.021 3.712 1.00 0.00 H new ATOM 0 HA ASN A 19 6.871 -6.616 3.661 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.429 -6.408 1.851 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.001 -5.694 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.177 -8.661 -0.523 1.00 0.00 H new ATOM 0 HD22 ASN A 19 5.555 -7.008 -0.508 1.00 0.00 H new ATOM 232 N TYR A 20 4.034 -5.295 4.599 1.00 0.00 N ATOM 233 CA TYR A 20 3.426 -4.129 5.230 1.00 0.00 C ATOM 234 C TYR A 20 2.038 -4.462 5.767 1.00 0.00 C ATOM 235 O TYR A 20 1.417 -5.440 5.349 1.00 0.00 O ATOM 236 CB TYR A 20 3.336 -2.972 4.233 1.00 0.00 C ATOM 237 CG TYR A 20 2.757 -3.371 2.894 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.407 -3.668 2.760 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.561 -3.451 1.764 1.00 0.00 C ATOM 240 CE1 TYR A 20 0.873 -4.033 1.539 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.036 -3.814 0.538 1.00 0.00 C ATOM 242 CZ TYR A 20 1.692 -4.104 0.431 1.00 0.00 C ATOM 243 OH TYR A 20 1.166 -4.467 -0.787 1.00 0.00 O ATOM 0 H TYR A 20 3.422 -6.109 4.539 1.00 0.00 H new ATOM 0 HA TYR A 20 4.057 -3.830 6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.723 -2.180 4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.332 -2.557 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.763 -3.613 3.625 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.614 -3.226 1.845 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.179 -4.261 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.675 -3.870 -0.331 1.00 0.00 H new ATOM 0 HH TYR A 20 0.356 -5.000 -0.648 1.00 0.00 H new ATOM 253 N ARG A 21 1.556 -3.641 6.694 1.00 0.00 N ATOM 254 CA ARG A 21 0.242 -3.847 7.289 1.00 0.00 C ATOM 255 C ARG A 21 -0.686 -2.676 6.978 1.00 0.00 C ATOM 256 O ARG A 21 -0.303 -1.515 7.118 1.00 0.00 O ATOM 257 CB ARG A 21 0.366 -4.025 8.804 1.00 0.00 C ATOM 258 CG ARG A 21 1.080 -2.875 9.495 1.00 0.00 C ATOM 259 CD ARG A 21 1.519 -3.256 10.900 1.00 0.00 C ATOM 260 NE ARG A 21 0.390 -3.332 11.825 1.00 0.00 N ATOM 261 CZ ARG A 21 0.506 -3.182 13.139 1.00 0.00 C ATOM 262 NH1 ARG A 21 1.693 -2.949 13.682 1.00 0.00 N ATOM 263 NH2 ARG A 21 -0.568 -3.265 13.915 1.00 0.00 N ATOM 0 H ARG A 21 2.057 -2.826 7.049 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.186 -4.752 6.858 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.631 -4.132 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.903 -4.951 9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 21 1.950 -2.580 8.908 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.419 -2.010 9.541 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.030 -4.218 10.872 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.239 -2.524 11.266 1.00 0.00 H new ATOM 0 HE ARG A 21 -0.538 -3.510 11.440 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.521 -2.884 13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.778 -2.834 14.692 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.483 -3.444 13.502 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.478 -3.150 14.924 1.00 0.00 H new ATOM 277 N TRP A 22 -1.905 -2.990 6.557 1.00 0.00 N ATOM 278 CA TRP A 22 -2.887 -1.964 6.225 1.00 0.00 C ATOM 279 C TRP A 22 -4.280 -2.372 6.692 1.00 0.00 C ATOM 280 O TRP A 22 -4.676 -3.530 6.560 1.00 0.00 O ATOM 281 CB TRP A 22 -2.897 -1.706 4.718 1.00 0.00 C ATOM 282 CG TRP A 22 -3.452 -2.849 3.923 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.753 -3.710 3.127 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.824 -3.253 3.846 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.607 -4.625 2.560 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.883 -4.367 2.986 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.007 -2.783 4.422 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.079 -5.015 2.689 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.193 -3.428 4.126 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.222 -4.534 3.267 1.00 0.00 C ATOM 0 H TRP A 22 -2.238 -3.947 6.437 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.605 -1.047 6.742 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.485 -0.811 4.514 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.879 -1.501 4.385 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.686 -3.677 2.966 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.335 -5.375 1.925 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -5.995 -1.931 5.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.104 -5.867 2.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.114 -3.073 4.565 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.165 -5.017 3.057 1.00 0.00 H new ATOM 301 N THR A 23 -5.020 -1.413 7.240 1.00 0.00 N ATOM 302 CA THR A 23 -6.369 -1.673 7.728 1.00 0.00 C ATOM 303 C THR A 23 -7.399 -0.848 6.965 1.00 0.00 C ATOM 304 O THR A 23 -7.057 0.142 6.319 1.00 0.00 O ATOM 305 CB THR A 23 -6.492 -1.363 9.232 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.972 -0.058 9.507 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.745 -2.397 10.060 1.00 0.00 C ATOM 0 H THR A 23 -4.708 -0.449 7.357 1.00 0.00 H new ATOM 0 HA THR A 23 -6.564 -2.733 7.566 1.00 0.00 H new ATOM 0 HB THR A 23 -7.547 -1.397 9.503 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.055 0.132 10.465 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.846 -2.157 11.119 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.163 -3.386 9.870 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.690 -2.390 9.785 1.00 0.00 H new ATOM 315 N GLN A 24 -8.659 -1.263 7.044 1.00 0.00 N ATOM 316 CA GLN A 24 -9.738 -0.560 6.360 1.00 0.00 C ATOM 317 C GLN A 24 -10.989 -0.503 7.230 1.00 0.00 C ATOM 318 O GLN A 24 -11.424 -1.517 7.778 1.00 0.00 O ATOM 319 CB GLN A 24 -10.058 -1.246 5.030 1.00 0.00 C ATOM 320 CG GLN A 24 -10.693 -2.618 5.191 1.00 0.00 C ATOM 321 CD GLN A 24 -10.374 -3.547 4.036 1.00 0.00 C ATOM 322 OE1 GLN A 24 -9.890 -3.113 2.990 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.644 -4.834 4.219 1.00 0.00 N ATOM 0 H GLN A 24 -8.958 -2.082 7.574 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.407 0.460 6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.730 -0.609 4.454 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.139 -1.345 4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.346 -3.068 6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.774 -2.506 5.275 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.045 -5.150 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.450 -5.506 3.477 1.00 0.00 H new ATOM 332 N THR A 25 -11.564 0.689 7.355 1.00 0.00 N ATOM 333 CA THR A 25 -12.763 0.879 8.160 1.00 0.00 C ATOM 334 C THR A 25 -13.811 1.687 7.404 1.00 0.00 C ATOM 335 O THR A 25 -13.477 2.580 6.624 1.00 0.00 O ATOM 336 CB THR A 25 -12.442 1.591 9.488 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.152 2.972 9.245 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.259 0.933 10.182 1.00 0.00 C ATOM 0 H THR A 25 -11.218 1.538 6.908 1.00 0.00 H new ATOM 0 HA THR A 25 -13.159 -0.114 8.375 1.00 0.00 H new ATOM 0 HB THR A 25 -13.314 1.512 10.138 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.544 3.049 8.480 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.051 1.453 11.117 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.494 -0.111 10.391 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.383 0.985 9.535 1.00 0.00 H new ATOM 346 N LEU A 26 -15.079 1.370 7.639 1.00 0.00 N ATOM 347 CA LEU A 26 -16.178 2.068 6.979 1.00 0.00 C ATOM 348 C LEU A 26 -15.843 3.542 6.779 1.00 0.00 C ATOM 349 O LEU A 26 -16.280 4.162 5.809 1.00 0.00 O ATOM 350 CB LEU A 26 -17.461 1.932 7.801 1.00 0.00 C ATOM 351 CG LEU A 26 -18.295 0.677 7.540 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.438 0.579 8.538 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.828 0.678 6.114 1.00 0.00 C ATOM 0 H LEU A 26 -15.372 0.634 8.282 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.331 1.612 6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.196 1.954 8.858 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.085 2.805 7.610 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.654 -0.195 7.666 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.021 -0.320 8.337 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -19.035 0.531 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.079 1.455 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.419 -0.222 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.454 1.557 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.993 0.700 5.414 1.00 0.00 H new ATOM 365 N ALA A 27 -15.063 4.098 7.700 1.00 0.00 N ATOM 366 CA ALA A 27 -14.666 5.498 7.622 1.00 0.00 C ATOM 367 C ALA A 27 -13.612 5.710 6.542 1.00 0.00 C ATOM 368 O ALA A 27 -13.875 6.344 5.521 1.00 0.00 O ATOM 369 CB ALA A 27 -14.147 5.975 8.970 1.00 0.00 C ATOM 0 H ALA A 27 -14.693 3.600 8.510 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.545 6.085 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.854 7.022 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.931 5.869 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.284 5.376 9.260 1.00 0.00 H new ATOM 375 N GLU A 28 -12.417 5.176 6.774 1.00 0.00 N ATOM 376 CA GLU A 28 -11.322 5.309 5.820 1.00 0.00 C ATOM 377 C GLU A 28 -10.374 4.117 5.910 1.00 0.00 C ATOM 378 O GLU A 28 -10.548 3.232 6.749 1.00 0.00 O ATOM 379 CB GLU A 28 -10.552 6.607 6.071 1.00 0.00 C ATOM 380 CG GLU A 28 -9.842 6.644 7.414 1.00 0.00 C ATOM 381 CD GLU A 28 -10.798 6.844 8.574 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.503 7.875 8.590 1.00 0.00 O ATOM 383 OE2 GLU A 28 -10.841 5.971 9.465 1.00 0.00 O ATOM 0 H GLU A 28 -12.183 4.647 7.614 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.749 5.337 4.818 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.817 6.743 5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.244 7.447 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.293 5.713 7.557 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.107 7.449 7.410 1.00 0.00 H new ATOM 390 N LEU A 29 -9.370 4.100 5.040 1.00 0.00 N ATOM 391 CA LEU A 29 -8.393 3.017 5.020 1.00 0.00 C ATOM 392 C LEU A 29 -7.011 3.523 5.420 1.00 0.00 C ATOM 393 O LEU A 29 -6.594 4.608 5.014 1.00 0.00 O ATOM 394 CB LEU A 29 -8.333 2.384 3.629 1.00 0.00 C ATOM 395 CG LEU A 29 -7.928 0.910 3.579 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.607 0.209 2.413 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.416 0.776 3.477 1.00 0.00 C ATOM 0 H LEU A 29 -9.211 4.824 4.339 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.707 2.264 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.313 2.487 3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.629 2.954 3.022 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.254 0.432 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.307 -0.839 2.394 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.689 0.274 2.529 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.313 0.688 1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.146 -0.279 3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -6.067 1.270 2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.950 1.242 4.345 1.00 0.00 H new ATOM 409 N ASP A 30 -6.304 2.729 6.217 1.00 0.00 N ATOM 410 CA ASP A 30 -4.967 3.095 6.670 1.00 0.00 C ATOM 411 C ASP A 30 -3.926 2.117 6.134 1.00 0.00 C ATOM 412 O ASP A 30 -4.232 0.956 5.859 1.00 0.00 O ATOM 413 CB ASP A 30 -4.914 3.128 8.198 1.00 0.00 C ATOM 414 CG ASP A 30 -5.702 4.285 8.780 1.00 0.00 C ATOM 415 OD1 ASP A 30 -5.713 5.368 8.158 1.00 0.00 O ATOM 416 OD2 ASP A 30 -6.309 4.107 9.857 1.00 0.00 O ATOM 0 H ASP A 30 -6.634 1.828 6.563 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.739 4.089 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.306 2.190 8.593 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.876 3.201 8.521 1.00 0.00 H new ATOM 421 N LEU A 31 -2.695 2.595 5.987 1.00 0.00 N ATOM 422 CA LEU A 31 -1.607 1.764 5.482 1.00 0.00 C ATOM 423 C LEU A 31 -0.298 2.089 6.194 1.00 0.00 C ATOM 424 O LEU A 31 -0.036 3.241 6.537 1.00 0.00 O ATOM 425 CB LEU A 31 -1.444 1.963 3.974 1.00 0.00 C ATOM 426 CG LEU A 31 -0.037 1.748 3.417 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.300 0.265 3.375 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.088 2.364 2.031 1.00 0.00 C ATOM 0 H LEU A 31 -2.425 3.553 6.210 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.857 0.722 5.679 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.124 1.282 3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.761 2.976 3.725 1.00 0.00 H new ATOM 0 HG LEU A 31 0.674 2.243 4.079 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.305 0.132 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.252 -0.148 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.416 -0.253 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.096 2.201 1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.633 1.898 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.109 3.434 2.089 1.00 0.00 H new ATOM 440 N ALA A 32 0.522 1.066 6.410 1.00 0.00 N ATOM 441 CA ALA A 32 1.806 1.243 7.076 1.00 0.00 C ATOM 442 C ALA A 32 2.874 0.347 6.458 1.00 0.00 C ATOM 443 O ALA A 32 2.875 -0.867 6.663 1.00 0.00 O ATOM 444 CB ALA A 32 1.672 0.958 8.565 1.00 0.00 C ATOM 0 H ALA A 32 0.320 0.105 6.133 1.00 0.00 H new ATOM 0 HA ALA A 32 2.117 2.279 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.639 1.094 9.050 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.947 1.644 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.335 -0.068 8.710 1.00 0.00 H new ATOM 450 N VAL A 33 3.783 0.954 5.701 1.00 0.00 N ATOM 451 CA VAL A 33 4.857 0.211 5.053 1.00 0.00 C ATOM 452 C VAL A 33 6.171 0.374 5.808 1.00 0.00 C ATOM 453 O VAL A 33 6.877 1.373 5.666 1.00 0.00 O ATOM 454 CB VAL A 33 5.055 0.667 3.595 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.229 -0.063 2.961 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.782 0.446 2.790 1.00 0.00 C ATOM 0 H VAL A 33 3.797 1.958 5.522 1.00 0.00 H new ATOM 0 HA VAL A 33 4.565 -0.839 5.061 1.00 0.00 H new ATOM 0 HB VAL A 33 5.278 1.734 3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.353 0.273 1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.137 0.151 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.039 -1.136 2.972 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.940 0.774 1.762 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.526 -0.613 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.967 1.019 3.233 1.00 0.00 H new ATOM 466 N PRO A 34 6.510 -0.630 6.629 1.00 0.00 N ATOM 467 CA PRO A 34 7.743 -0.622 7.423 1.00 0.00 C ATOM 468 C PRO A 34 8.989 -0.778 6.559 1.00 0.00 C ATOM 469 O PRO A 34 9.055 -1.657 5.700 1.00 0.00 O ATOM 470 CB PRO A 34 7.578 -1.831 8.347 1.00 0.00 C ATOM 471 CG PRO A 34 6.652 -2.742 7.617 1.00 0.00 C ATOM 472 CD PRO A 34 5.716 -1.851 6.847 1.00 0.00 C ATOM 0 HA PRO A 34 7.881 0.321 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.536 -2.314 8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.166 -1.538 9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.202 -3.402 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.103 -3.378 8.311 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.412 -2.306 5.904 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.805 -1.643 7.409 1.00 0.00 H new ATOM 480 N PHE A 35 9.976 0.081 6.792 1.00 0.00 N ATOM 481 CA PHE A 35 11.222 0.038 6.034 1.00 0.00 C ATOM 482 C PHE A 35 12.407 -0.251 6.951 1.00 0.00 C ATOM 483 O PHE A 35 12.529 0.334 8.027 1.00 0.00 O ATOM 484 CB PHE A 35 11.442 1.362 5.300 1.00 0.00 C ATOM 485 CG PHE A 35 10.514 1.563 4.136 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.580 0.733 3.029 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.575 2.582 4.149 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.728 0.917 1.956 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.719 2.770 3.080 1.00 0.00 C ATOM 490 CZ PHE A 35 8.795 1.936 1.982 1.00 0.00 C ATOM 0 H PHE A 35 9.938 0.815 7.499 1.00 0.00 H new ATOM 0 HA PHE A 35 11.146 -0.767 5.303 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.313 2.184 6.004 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.472 1.405 4.945 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.305 -0.067 3.004 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.511 3.237 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.792 0.265 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.992 3.568 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.127 2.080 1.146 1.00 0.00 H new ATOM 500 N ARG A 36 13.276 -1.157 6.517 1.00 0.00 N ATOM 501 CA ARG A 36 14.451 -1.525 7.298 1.00 0.00 C ATOM 502 C ARG A 36 15.529 -0.450 7.199 1.00 0.00 C ATOM 503 O ARG A 36 16.693 -0.746 6.932 1.00 0.00 O ATOM 504 CB ARG A 36 15.008 -2.867 6.819 1.00 0.00 C ATOM 505 CG ARG A 36 15.518 -2.838 5.387 1.00 0.00 C ATOM 506 CD ARG A 36 16.644 -3.839 5.177 1.00 0.00 C ATOM 507 NE ARG A 36 17.119 -3.846 3.796 1.00 0.00 N ATOM 508 CZ ARG A 36 17.917 -4.783 3.298 1.00 0.00 C ATOM 509 NH1 ARG A 36 18.327 -5.785 4.064 1.00 0.00 N ATOM 510 NH2 ARG A 36 18.307 -4.720 2.031 1.00 0.00 N ATOM 0 H ARG A 36 13.189 -1.650 5.628 1.00 0.00 H new ATOM 0 HA ARG A 36 14.149 -1.616 8.341 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.821 -3.170 7.479 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.229 -3.625 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.699 -3.061 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.871 -1.835 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.472 -3.599 5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.297 -4.837 5.446 1.00 0.00 H new ATOM 0 HE ARG A 36 16.821 -3.089 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.029 -5.837 5.038 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.940 -6.504 3.679 1.00 0.00 H new ATOM 0 HH21 ARG A 36 17.994 -3.951 1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 36 18.920 -5.440 1.650 1.00 0.00 H new ATOM 524 N VAL A 37 15.132 0.800 7.416 1.00 0.00 N ATOM 525 CA VAL A 37 16.064 1.920 7.352 1.00 0.00 C ATOM 526 C VAL A 37 16.603 2.266 8.735 1.00 0.00 C ATOM 527 O VAL A 37 15.849 2.344 9.705 1.00 0.00 O ATOM 528 CB VAL A 37 15.399 3.169 6.744 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.879 2.872 5.346 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.277 3.666 7.644 1.00 0.00 C ATOM 0 H VAL A 37 14.172 1.063 7.638 1.00 0.00 H new ATOM 0 HA VAL A 37 16.889 1.609 6.712 1.00 0.00 H new ATOM 0 HB VAL A 37 16.149 3.956 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.413 3.767 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.708 2.567 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.143 2.069 5.394 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.818 4.549 7.199 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.526 2.884 7.755 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.682 3.922 8.623 1.00 0.00 H new ATOM 540 N SER A 38 17.913 2.473 8.818 1.00 0.00 N ATOM 541 CA SER A 38 18.555 2.808 10.084 1.00 0.00 C ATOM 542 C SER A 38 18.753 4.316 10.211 1.00 0.00 C ATOM 543 O SER A 38 19.582 4.781 10.993 1.00 0.00 O ATOM 544 CB SER A 38 19.903 2.094 10.202 1.00 0.00 C ATOM 545 OG SER A 38 20.218 1.819 11.556 1.00 0.00 O ATOM 0 H SER A 38 18.551 2.415 8.024 1.00 0.00 H new ATOM 0 HA SER A 38 17.904 2.475 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.876 1.163 9.635 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.685 2.712 9.762 1.00 0.00 H new ATOM 0 HG SER A 38 21.083 1.361 11.604 1.00 0.00 H new ATOM 551 N PHE A 39 17.984 5.074 9.436 1.00 0.00 N ATOM 552 CA PHE A 39 18.074 6.529 9.460 1.00 0.00 C ATOM 553 C PHE A 39 16.695 7.162 9.299 1.00 0.00 C ATOM 554 O PHE A 39 15.690 6.462 9.175 1.00 0.00 O ATOM 555 CB PHE A 39 19.006 7.022 8.351 1.00 0.00 C ATOM 556 CG PHE A 39 18.604 6.558 6.980 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.999 5.315 6.512 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.831 7.364 6.161 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.632 4.887 5.250 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.459 6.940 4.899 1.00 0.00 C ATOM 561 CZ PHE A 39 17.860 5.699 4.443 1.00 0.00 C ATOM 0 H PHE A 39 17.292 4.705 8.784 1.00 0.00 H new ATOM 0 HA PHE A 39 18.481 6.827 10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 39 19.029 8.112 8.365 1.00 0.00 H new ATOM 0 HB3 PHE A 39 20.019 6.679 8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.600 4.674 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.515 8.335 6.512 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.949 3.917 4.895 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.856 7.578 4.270 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.570 5.365 3.458 1.00 0.00 H new ATOM 571 N ARG A 40 16.656 8.490 9.303 1.00 0.00 N ATOM 572 CA ARG A 40 15.401 9.219 9.160 1.00 0.00 C ATOM 573 C ARG A 40 15.024 9.368 7.689 1.00 0.00 C ATOM 574 O ARG A 40 15.853 9.745 6.860 1.00 0.00 O ATOM 575 CB ARG A 40 15.510 10.598 9.812 1.00 0.00 C ATOM 576 CG ARG A 40 14.191 11.118 10.361 1.00 0.00 C ATOM 577 CD ARG A 40 14.405 12.011 11.573 1.00 0.00 C ATOM 578 NE ARG A 40 15.022 11.290 12.683 1.00 0.00 N ATOM 579 CZ ARG A 40 14.336 10.572 13.564 1.00 0.00 C ATOM 580 NH1 ARG A 40 13.017 10.480 13.466 1.00 0.00 N ATOM 581 NH2 ARG A 40 14.969 9.944 14.547 1.00 0.00 N ATOM 0 H ARG A 40 17.479 9.084 9.404 1.00 0.00 H new ATOM 0 HA ARG A 40 14.619 8.649 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 40 16.238 10.551 10.622 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.894 11.308 9.079 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.667 11.676 9.585 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.553 10.278 10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 40 15.036 12.855 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.448 12.421 11.895 1.00 0.00 H new ATOM 0 HE ARG A 40 16.035 11.341 12.787 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.527 10.962 12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.492 9.928 14.144 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.984 10.013 14.626 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.441 9.393 15.223 1.00 0.00 H new ATOM 595 N LEU A 41 13.769 9.069 7.372 1.00 0.00 N ATOM 596 CA LEU A 41 13.282 9.170 6.000 1.00 0.00 C ATOM 597 C LEU A 41 12.763 10.574 5.709 1.00 0.00 C ATOM 598 O LEU A 41 12.035 11.158 6.512 1.00 0.00 O ATOM 599 CB LEU A 41 12.175 8.143 5.755 1.00 0.00 C ATOM 600 CG LEU A 41 12.625 6.687 5.632 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.422 5.760 5.568 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.509 6.503 4.407 1.00 0.00 C ATOM 0 H LEU A 41 13.070 8.755 8.046 1.00 0.00 H new ATOM 0 HA LEU A 41 14.115 8.964 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.456 8.212 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.648 8.418 4.841 1.00 0.00 H new ATOM 0 HG LEU A 41 13.208 6.431 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.762 4.728 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.829 5.871 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.812 6.015 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.820 5.461 4.336 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.952 6.778 3.511 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.390 7.139 4.495 1.00 0.00 H new ATOM 614 N LYS A 42 13.139 11.110 4.553 1.00 0.00 N ATOM 615 CA LYS A 42 12.710 12.445 4.151 1.00 0.00 C ATOM 616 C LYS A 42 11.650 12.369 3.056 1.00 0.00 C ATOM 617 O LYS A 42 11.692 11.487 2.199 1.00 0.00 O ATOM 618 CB LYS A 42 13.907 13.263 3.662 1.00 0.00 C ATOM 619 CG LYS A 42 15.007 13.411 4.699 1.00 0.00 C ATOM 620 CD LYS A 42 15.715 14.749 4.573 1.00 0.00 C ATOM 621 CE LYS A 42 17.179 14.645 4.972 1.00 0.00 C ATOM 622 NZ LYS A 42 17.870 15.962 4.893 1.00 0.00 N ATOM 0 H LYS A 42 13.741 10.640 3.877 1.00 0.00 H new ATOM 0 HA LYS A 42 12.274 12.936 5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.320 12.790 2.771 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.563 14.254 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 42 14.582 13.316 5.698 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.730 12.603 4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.641 15.105 3.546 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.217 15.486 5.203 1.00 0.00 H new ATOM 0 HE2 LYS A 42 17.252 14.257 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.683 13.931 4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 18.865 15.849 5.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.823 16.321 3.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 17.405 16.637 5.533 1.00 0.00 H new ATOM 636 N GLY A 43 10.702 13.300 3.091 1.00 0.00 N ATOM 637 CA GLY A 43 9.647 13.321 2.095 1.00 0.00 C ATOM 638 C GLY A 43 10.168 13.080 0.692 1.00 0.00 C ATOM 639 O GLY A 43 9.493 12.462 -0.132 1.00 0.00 O ATOM 0 H GLY A 43 10.646 14.040 3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.906 12.560 2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 43 9.138 14.284 2.130 1.00 0.00 H new ATOM 643 N LYS A 44 11.372 13.571 0.418 1.00 0.00 N ATOM 644 CA LYS A 44 11.985 13.407 -0.895 1.00 0.00 C ATOM 645 C LYS A 44 12.596 12.017 -1.040 1.00 0.00 C ATOM 646 O LYS A 44 12.633 11.456 -2.136 1.00 0.00 O ATOM 647 CB LYS A 44 13.059 14.474 -1.116 1.00 0.00 C ATOM 648 CG LYS A 44 14.104 14.522 -0.015 1.00 0.00 C ATOM 649 CD LYS A 44 15.463 14.937 -0.553 1.00 0.00 C ATOM 650 CE LYS A 44 15.664 16.442 -0.458 1.00 0.00 C ATOM 651 NZ LYS A 44 15.052 17.158 -1.611 1.00 0.00 N ATOM 0 H LYS A 44 11.943 14.086 1.088 1.00 0.00 H new ATOM 0 HA LYS A 44 11.207 13.523 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.555 14.286 -2.068 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.579 15.450 -1.193 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.788 15.223 0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.182 13.542 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.248 14.428 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.556 14.621 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.227 16.809 0.471 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.730 16.664 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 15.269 18.173 -1.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.438 16.779 -2.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.021 17.023 -1.596 1.00 0.00 H new ATOM 665 N ASP A 45 13.073 11.466 0.070 1.00 0.00 N ATOM 666 CA ASP A 45 13.680 10.140 0.067 1.00 0.00 C ATOM 667 C ASP A 45 12.659 9.076 -0.322 1.00 0.00 C ATOM 668 O ASP A 45 12.970 8.144 -1.064 1.00 0.00 O ATOM 669 CB ASP A 45 14.269 9.822 1.442 1.00 0.00 C ATOM 670 CG ASP A 45 15.416 10.743 1.808 1.00 0.00 C ATOM 671 OD1 ASP A 45 16.125 11.203 0.889 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.604 11.005 3.015 1.00 0.00 O ATOM 0 H ASP A 45 13.051 11.917 0.984 1.00 0.00 H new ATOM 0 HA ASP A 45 14.481 10.136 -0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.487 9.903 2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.618 8.789 1.455 1.00 0.00 H new ATOM 677 N VAL A 46 11.439 9.221 0.185 1.00 0.00 N ATOM 678 CA VAL A 46 10.371 8.272 -0.109 1.00 0.00 C ATOM 679 C VAL A 46 9.515 8.752 -1.275 1.00 0.00 C ATOM 680 O VAL A 46 9.515 9.935 -1.614 1.00 0.00 O ATOM 681 CB VAL A 46 9.467 8.046 1.118 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.269 7.465 2.273 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.793 9.347 1.528 1.00 0.00 C ATOM 0 H VAL A 46 11.165 9.986 0.801 1.00 0.00 H new ATOM 0 HA VAL A 46 10.850 7.330 -0.377 1.00 0.00 H new ATOM 0 HB VAL A 46 8.691 7.329 0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.614 7.312 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.701 6.511 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.068 8.155 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.158 9.170 2.396 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.553 10.087 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.185 9.717 0.703 1.00 0.00 H new ATOM 693 N VAL A 47 8.786 7.824 -1.888 1.00 0.00 N ATOM 694 CA VAL A 47 7.923 8.152 -3.016 1.00 0.00 C ATOM 695 C VAL A 47 6.519 7.595 -2.815 1.00 0.00 C ATOM 696 O VAL A 47 6.300 6.387 -2.903 1.00 0.00 O ATOM 697 CB VAL A 47 8.496 7.606 -4.338 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.574 7.943 -5.499 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.894 8.155 -4.579 1.00 0.00 C ATOM 0 H VAL A 47 8.776 6.839 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 47 7.874 9.240 -3.071 1.00 0.00 H new ATOM 0 HB VAL A 47 8.565 6.521 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.995 7.549 -6.424 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.595 7.496 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.470 9.025 -5.579 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.284 7.759 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.853 9.243 -4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.548 7.857 -3.760 1.00 0.00 H new ATOM 709 N VAL A 48 5.568 8.484 -2.544 1.00 0.00 N ATOM 710 CA VAL A 48 4.183 8.082 -2.331 1.00 0.00 C ATOM 711 C VAL A 48 3.240 8.855 -3.245 1.00 0.00 C ATOM 712 O VAL A 48 3.051 10.061 -3.083 1.00 0.00 O ATOM 713 CB VAL A 48 3.754 8.298 -0.868 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.282 7.961 -0.687 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.619 7.467 0.069 1.00 0.00 C ATOM 0 H VAL A 48 5.732 9.488 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 48 4.122 7.019 -2.566 1.00 0.00 H new ATOM 0 HB VAL A 48 3.894 9.350 -0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.998 8.120 0.353 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.680 8.603 -1.330 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.112 6.918 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.302 7.632 1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.513 6.411 -0.179 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.662 7.762 -0.041 1.00 0.00 H new ATOM 725 N ASP A 49 2.649 8.154 -4.207 1.00 0.00 N ATOM 726 CA ASP A 49 1.723 8.774 -5.147 1.00 0.00 C ATOM 727 C ASP A 49 0.286 8.356 -4.850 1.00 0.00 C ATOM 728 O ASP A 49 -0.065 7.182 -4.964 1.00 0.00 O ATOM 729 CB ASP A 49 2.091 8.396 -6.583 1.00 0.00 C ATOM 730 CG ASP A 49 1.628 9.430 -7.590 1.00 0.00 C ATOM 731 OD1 ASP A 49 1.797 10.637 -7.321 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.096 9.031 -8.648 1.00 0.00 O ATOM 0 H ASP A 49 2.795 7.156 -4.356 1.00 0.00 H new ATOM 0 HA ASP A 49 1.799 9.855 -5.034 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.172 8.278 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.647 7.431 -6.827 1.00 0.00 H new ATOM 737 N ILE A 50 -0.539 9.325 -4.468 1.00 0.00 N ATOM 738 CA ILE A 50 -1.937 9.057 -4.155 1.00 0.00 C ATOM 739 C ILE A 50 -2.860 9.637 -5.221 1.00 0.00 C ATOM 740 O ILE A 50 -2.860 10.844 -5.465 1.00 0.00 O ATOM 741 CB ILE A 50 -2.328 9.638 -2.783 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.408 9.087 -1.691 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.782 9.320 -2.468 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.513 9.833 -0.379 1.00 0.00 C ATOM 0 H ILE A 50 -0.264 10.302 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.052 7.973 -4.128 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.213 10.721 -2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.646 8.037 -1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.377 9.128 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.043 9.737 -1.495 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.424 9.755 -3.234 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.922 8.239 -2.449 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.833 9.388 0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.246 10.879 -0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.535 9.770 -0.006 1.00 0.00 H new ATOM 756 N GLN A 51 -3.646 8.770 -5.851 1.00 0.00 N ATOM 757 CA GLN A 51 -4.575 9.197 -6.890 1.00 0.00 C ATOM 758 C GLN A 51 -6.004 8.793 -6.543 1.00 0.00 C ATOM 759 O GLN A 51 -6.252 8.185 -5.502 1.00 0.00 O ATOM 760 CB GLN A 51 -4.176 8.595 -8.239 1.00 0.00 C ATOM 761 CG GLN A 51 -3.144 9.419 -8.992 1.00 0.00 C ATOM 762 CD GLN A 51 -3.641 10.811 -9.329 1.00 0.00 C ATOM 763 OE1 GLN A 51 -4.270 11.024 -10.366 1.00 0.00 O ATOM 764 NE2 GLN A 51 -3.362 11.769 -8.452 1.00 0.00 N ATOM 0 H GLN A 51 -3.658 7.768 -5.660 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.530 10.284 -6.957 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.780 7.592 -8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.067 8.490 -8.858 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.238 9.497 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.873 8.902 -9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.838 11.548 -7.605 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.672 12.725 -8.625 1.00 0.00 H new ATOM 773 N ARG A 52 -6.941 9.136 -7.421 1.00 0.00 N ATOM 774 CA ARG A 52 -8.346 8.811 -7.206 1.00 0.00 C ATOM 775 C ARG A 52 -8.536 7.305 -7.044 1.00 0.00 C ATOM 776 O ARG A 52 -9.110 6.845 -6.057 1.00 0.00 O ATOM 777 CB ARG A 52 -9.194 9.321 -8.372 1.00 0.00 C ATOM 778 CG ARG A 52 -10.680 9.389 -8.061 1.00 0.00 C ATOM 779 CD ARG A 52 -10.993 10.510 -7.082 1.00 0.00 C ATOM 780 NE ARG A 52 -11.245 11.777 -7.764 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.367 12.939 -7.134 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.262 12.995 -5.813 1.00 0.00 N ATOM 783 NH2 ARG A 52 -11.595 14.049 -7.824 1.00 0.00 N ATOM 0 H ARG A 52 -6.752 9.639 -8.288 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.671 9.302 -6.289 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.845 10.314 -8.657 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.041 8.670 -9.233 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.239 9.543 -8.984 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.010 8.437 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.865 10.239 -6.487 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.160 10.630 -6.390 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.332 11.768 -8.780 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -11.087 12.144 -5.279 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.356 13.889 -5.331 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.677 14.010 -8.840 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.689 14.941 -7.338 1.00 0.00 H new ATOM 797 N ARG A 53 -8.052 6.545 -8.020 1.00 0.00 N ATOM 798 CA ARG A 53 -8.170 5.092 -7.987 1.00 0.00 C ATOM 799 C ARG A 53 -6.813 4.431 -8.209 1.00 0.00 C ATOM 800 O ARG A 53 -6.715 3.399 -8.875 1.00 0.00 O ATOM 801 CB ARG A 53 -9.162 4.616 -9.050 1.00 0.00 C ATOM 802 CG ARG A 53 -9.898 3.342 -8.669 1.00 0.00 C ATOM 803 CD ARG A 53 -11.241 3.241 -9.376 1.00 0.00 C ATOM 804 NE ARG A 53 -11.654 1.854 -9.572 1.00 0.00 N ATOM 805 CZ ARG A 53 -12.788 1.502 -10.167 1.00 0.00 C ATOM 806 NH1 ARG A 53 -13.618 2.431 -10.622 1.00 0.00 N ATOM 807 NH2 ARG A 53 -13.094 0.219 -10.309 1.00 0.00 N ATOM 0 H ARG A 53 -7.574 6.911 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.538 4.804 -7.002 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.891 5.405 -9.234 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.628 4.451 -9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.286 2.477 -8.924 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.051 3.318 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.998 3.766 -8.793 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.180 3.741 -10.343 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.038 1.115 -9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.386 3.419 -10.515 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.488 2.158 -11.079 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -12.458 -0.499 -9.961 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -13.965 -0.050 -10.766 1.00 0.00 H new ATOM 821 N HIS A 54 -5.769 5.031 -7.647 1.00 0.00 N ATOM 822 CA HIS A 54 -4.417 4.500 -7.784 1.00 0.00 C ATOM 823 C HIS A 54 -3.520 5.003 -6.657 1.00 0.00 C ATOM 824 O HIS A 54 -3.463 6.202 -6.382 1.00 0.00 O ATOM 825 CB HIS A 54 -3.826 4.895 -9.137 1.00 0.00 C ATOM 826 CG HIS A 54 -2.785 3.942 -9.637 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.468 4.301 -9.834 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.872 2.635 -9.980 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.791 3.256 -10.277 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.620 2.233 -10.374 1.00 0.00 N ATOM 0 H HIS A 54 -5.833 5.885 -7.093 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.472 3.413 -7.724 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.630 4.960 -9.870 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.387 5.890 -9.056 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.761 2.023 -9.949 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.262 3.241 -10.519 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -1.371 1.296 -10.690 1.00 0.00 H new ATOM 839 N LEU A 55 -2.821 4.079 -6.008 1.00 0.00 N ATOM 840 CA LEU A 55 -1.926 4.428 -4.910 1.00 0.00 C ATOM 841 C LEU A 55 -0.539 3.831 -5.127 1.00 0.00 C ATOM 842 O LEU A 55 -0.404 2.719 -5.636 1.00 0.00 O ATOM 843 CB LEU A 55 -2.502 3.938 -3.580 1.00 0.00 C ATOM 844 CG LEU A 55 -1.580 4.050 -2.366 1.00 0.00 C ATOM 845 CD1 LEU A 55 -1.081 5.478 -2.205 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.297 3.589 -1.106 1.00 0.00 C ATOM 0 H LEU A 55 -2.856 3.082 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.834 5.514 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.412 4.500 -3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.792 2.894 -3.696 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.719 3.401 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.426 5.539 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.528 5.773 -3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.930 6.147 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.625 3.676 -0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.177 4.211 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.604 2.550 -1.222 1.00 0.00 H new ATOM 858 N ARG A 56 0.489 4.578 -4.735 1.00 0.00 N ATOM 859 CA ARG A 56 1.865 4.122 -4.886 1.00 0.00 C ATOM 860 C ARG A 56 2.700 4.502 -3.666 1.00 0.00 C ATOM 861 O ARG A 56 2.544 5.588 -3.108 1.00 0.00 O ATOM 862 CB ARG A 56 2.487 4.719 -6.149 1.00 0.00 C ATOM 863 CG ARG A 56 3.663 3.919 -6.686 1.00 0.00 C ATOM 864 CD ARG A 56 4.293 4.596 -7.893 1.00 0.00 C ATOM 865 NE ARG A 56 5.570 3.988 -8.257 1.00 0.00 N ATOM 866 CZ ARG A 56 6.122 4.102 -9.460 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.512 4.799 -10.409 1.00 0.00 N ATOM 868 NH2 ARG A 56 7.286 3.520 -9.715 1.00 0.00 N ATOM 0 H ARG A 56 0.394 5.501 -4.311 1.00 0.00 H new ATOM 0 HA ARG A 56 1.854 3.036 -4.974 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.722 4.788 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.817 5.736 -5.935 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.411 3.800 -5.903 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.328 2.919 -6.962 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.609 4.537 -8.740 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.443 5.654 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 56 6.065 3.446 -7.549 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.617 5.249 -10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.938 4.885 -11.332 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.759 2.984 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.709 3.608 -10.639 1.00 0.00 H new ATOM 882 N VAL A 57 3.588 3.600 -3.258 1.00 0.00 N ATOM 883 CA VAL A 57 4.448 3.841 -2.106 1.00 0.00 C ATOM 884 C VAL A 57 5.786 3.126 -2.260 1.00 0.00 C ATOM 885 O VAL A 57 5.848 2.006 -2.765 1.00 0.00 O ATOM 886 CB VAL A 57 3.778 3.378 -0.799 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.709 3.594 0.384 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.459 4.105 -0.590 1.00 0.00 C ATOM 0 H VAL A 57 3.730 2.696 -3.709 1.00 0.00 H new ATOM 0 HA VAL A 57 4.618 4.917 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 57 3.570 2.311 -0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.218 3.261 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.625 3.023 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.952 4.653 0.467 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.999 3.765 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.640 5.178 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.791 3.893 -1.424 1.00 0.00 H new ATOM 898 N GLY A 58 6.855 3.782 -1.820 1.00 0.00 N ATOM 899 CA GLY A 58 8.178 3.194 -1.918 1.00 0.00 C ATOM 900 C GLY A 58 9.280 4.191 -1.619 1.00 0.00 C ATOM 901 O GLY A 58 9.045 5.212 -0.972 1.00 0.00 O ATOM 0 H GLY A 58 6.829 4.710 -1.397 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.252 2.357 -1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.320 2.791 -2.921 1.00 0.00 H new ATOM 905 N LEU A 59 10.486 3.896 -2.091 1.00 0.00 N ATOM 906 CA LEU A 59 11.630 4.775 -1.870 1.00 0.00 C ATOM 907 C LEU A 59 12.242 5.216 -3.195 1.00 0.00 C ATOM 908 O LEU A 59 12.300 4.443 -4.153 1.00 0.00 O ATOM 909 CB LEU A 59 12.685 4.067 -1.018 1.00 0.00 C ATOM 910 CG LEU A 59 12.179 3.408 0.266 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.030 2.197 0.616 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.175 4.408 1.413 1.00 0.00 C ATOM 0 H LEU A 59 10.698 3.056 -2.629 1.00 0.00 H new ATOM 0 HA LEU A 59 11.279 5.661 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.165 3.303 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.454 4.792 -0.752 1.00 0.00 H new ATOM 0 HG LEU A 59 11.156 3.072 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 59 12.655 1.741 1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 59 12.982 1.472 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.064 2.509 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 59 11.812 3.922 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.188 4.775 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.522 5.245 1.164 1.00 0.00 H new ATOM 924 N LYS A 60 12.701 6.462 -3.244 1.00 0.00 N ATOM 925 CA LYS A 60 13.313 7.006 -4.451 1.00 0.00 C ATOM 926 C LYS A 60 14.327 6.027 -5.035 1.00 0.00 C ATOM 927 O LYS A 60 15.074 5.381 -4.302 1.00 0.00 O ATOM 928 CB LYS A 60 13.995 8.341 -4.144 1.00 0.00 C ATOM 929 CG LYS A 60 14.094 9.264 -5.346 1.00 0.00 C ATOM 930 CD LYS A 60 14.064 10.725 -4.931 1.00 0.00 C ATOM 931 CE LYS A 60 14.159 11.649 -6.135 1.00 0.00 C ATOM 932 NZ LYS A 60 14.678 12.994 -5.763 1.00 0.00 N ATOM 0 H LYS A 60 12.661 7.115 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 60 12.525 7.168 -5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.443 8.848 -3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.997 8.148 -3.761 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.016 9.058 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.270 9.062 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.143 10.930 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.890 10.928 -4.250 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.812 11.202 -6.885 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.175 11.753 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.728 13.594 -6.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.041 13.431 -5.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.628 12.898 -5.351 1.00 0.00 H new ATOM 946 N GLY A 61 14.347 5.925 -6.361 1.00 0.00 N ATOM 947 CA GLY A 61 15.274 5.024 -7.021 1.00 0.00 C ATOM 948 C GLY A 61 14.848 3.573 -6.914 1.00 0.00 C ATOM 949 O GLY A 61 14.801 2.859 -7.915 1.00 0.00 O ATOM 0 H GLY A 61 13.738 6.450 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.356 5.299 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.265 5.142 -6.582 1.00 0.00 H new ATOM 953 N GLN A 62 14.539 3.137 -5.697 1.00 0.00 N ATOM 954 CA GLN A 62 14.117 1.760 -5.464 1.00 0.00 C ATOM 955 C GLN A 62 12.691 1.537 -5.957 1.00 0.00 C ATOM 956 O GLN A 62 11.924 2.478 -6.159 1.00 0.00 O ATOM 957 CB GLN A 62 14.214 1.420 -3.976 1.00 0.00 C ATOM 958 CG GLN A 62 15.562 0.848 -3.569 1.00 0.00 C ATOM 959 CD GLN A 62 15.775 0.866 -2.068 1.00 0.00 C ATOM 960 OE1 GLN A 62 15.542 -0.132 -1.385 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.219 2.003 -1.546 1.00 0.00 N ATOM 0 H GLN A 62 14.573 3.716 -4.858 1.00 0.00 H new ATOM 0 HA GLN A 62 14.782 1.103 -6.024 1.00 0.00 H new ATOM 0 HB2 GLN A 62 14.020 2.320 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.433 0.702 -3.724 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.642 -0.177 -3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.355 1.419 -4.051 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.399 2.805 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.380 2.074 -0.541 1.00 0.00 H new ATOM 970 N PRO A 63 12.327 0.262 -6.158 1.00 0.00 N ATOM 971 CA PRO A 63 10.991 -0.115 -6.630 1.00 0.00 C ATOM 972 C PRO A 63 9.914 0.130 -5.579 1.00 0.00 C ATOM 973 O PRO A 63 10.128 -0.056 -4.381 1.00 0.00 O ATOM 974 CB PRO A 63 11.126 -1.612 -6.918 1.00 0.00 C ATOM 975 CG PRO A 63 12.237 -2.069 -6.037 1.00 0.00 C ATOM 976 CD PRO A 63 13.191 -0.910 -5.938 1.00 0.00 C ATOM 0 HA PRO A 63 10.683 0.473 -7.494 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.200 -2.143 -6.695 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.353 -1.794 -7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 63 11.863 -2.352 -5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.731 -2.946 -6.455 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.678 -0.873 -4.964 1.00 0.00 H new ATOM 0 HD3 PRO A 63 13.980 -0.974 -6.687 1.00 0.00 H new ATOM 984 N PRO A 64 8.728 0.558 -6.034 1.00 0.00 N ATOM 985 CA PRO A 64 7.593 0.837 -5.149 1.00 0.00 C ATOM 986 C PRO A 64 7.010 -0.432 -4.536 1.00 0.00 C ATOM 987 O PRO A 64 6.566 -1.330 -5.250 1.00 0.00 O ATOM 988 CB PRO A 64 6.573 1.500 -6.078 1.00 0.00 C ATOM 989 CG PRO A 64 6.910 0.990 -7.436 1.00 0.00 C ATOM 990 CD PRO A 64 8.402 0.802 -7.450 1.00 0.00 C ATOM 0 HA PRO A 64 7.881 1.456 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.553 1.237 -5.798 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.645 2.587 -6.034 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.396 0.050 -7.638 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.598 1.696 -8.206 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.695 -0.037 -8.080 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.915 1.684 -7.834 1.00 0.00 H new ATOM 998 N VAL A 65 7.015 -0.498 -3.209 1.00 0.00 N ATOM 999 CA VAL A 65 6.485 -1.657 -2.500 1.00 0.00 C ATOM 1000 C VAL A 65 4.996 -1.835 -2.773 1.00 0.00 C ATOM 1001 O VAL A 65 4.514 -2.956 -2.938 1.00 0.00 O ATOM 1002 CB VAL A 65 6.706 -1.534 -0.980 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.126 -2.741 -0.257 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.186 -1.376 -0.668 1.00 0.00 C ATOM 0 H VAL A 65 7.380 0.237 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 65 7.026 -2.528 -2.869 1.00 0.00 H new ATOM 0 HB VAL A 65 6.187 -0.644 -0.626 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.291 -2.637 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.056 -2.804 -0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.615 -3.648 -0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.324 -1.291 0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.730 -2.246 -1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.567 -0.478 -1.155 1.00 0.00 H new ATOM 1014 N VAL A 66 4.272 -0.722 -2.821 1.00 0.00 N ATOM 1015 CA VAL A 66 2.837 -0.754 -3.077 1.00 0.00 C ATOM 1016 C VAL A 66 2.497 -0.064 -4.393 1.00 0.00 C ATOM 1017 O VAL A 66 2.818 1.108 -4.592 1.00 0.00 O ATOM 1018 CB VAL A 66 2.048 -0.080 -1.938 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.555 -0.127 -2.222 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.368 -0.741 -0.606 1.00 0.00 C ATOM 0 H VAL A 66 4.656 0.213 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 66 2.550 -1.804 -3.136 1.00 0.00 H new ATOM 0 HB VAL A 66 2.349 0.966 -1.880 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.014 0.354 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.345 0.396 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.234 -1.165 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.802 -0.253 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.097 -1.796 -0.649 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.435 -0.649 -0.401 1.00 0.00 H new ATOM 1030 N ASP A 67 1.846 -0.798 -5.289 1.00 0.00 N ATOM 1031 CA ASP A 67 1.461 -0.256 -6.587 1.00 0.00 C ATOM 1032 C ASP A 67 0.332 -1.076 -7.204 1.00 0.00 C ATOM 1033 O ASP A 67 0.501 -2.257 -7.503 1.00 0.00 O ATOM 1034 CB ASP A 67 2.665 -0.230 -7.530 1.00 0.00 C ATOM 1035 CG ASP A 67 3.281 -1.602 -7.720 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.196 -2.426 -6.784 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.848 -1.853 -8.804 1.00 0.00 O ATOM 0 H ASP A 67 1.574 -1.770 -5.140 1.00 0.00 H new ATOM 0 HA ASP A 67 1.105 0.763 -6.437 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.356 0.164 -8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.418 0.452 -7.134 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.820 -0.440 -7.392 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.960 -1.126 -7.972 1.00 0.00 C ATOM 1044 C GLY A 68 -3.226 -0.293 -7.921 1.00 0.00 C ATOM 1045 O GLY A 68 -3.327 0.645 -7.132 1.00 0.00 O ATOM 0 H GLY A 68 -0.984 0.538 -7.153 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.738 -1.381 -9.008 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.124 -2.064 -7.441 1.00 0.00 H new ATOM 1049 N GLU A 69 -4.192 -0.636 -8.767 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.456 0.090 -8.816 1.00 0.00 C ATOM 1051 C GLU A 69 -6.254 -0.120 -7.533 1.00 0.00 C ATOM 1052 O GLU A 69 -6.649 -1.242 -7.210 1.00 0.00 O ATOM 1053 CB GLU A 69 -6.282 -0.360 -10.023 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.707 0.166 -10.016 1.00 0.00 C ATOM 1055 CD GLU A 69 -8.315 0.223 -11.404 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.804 -0.823 -11.881 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -8.302 1.313 -12.013 1.00 0.00 O ATOM 0 H GLU A 69 -4.124 -1.411 -9.427 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.232 1.152 -8.914 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.786 -0.029 -10.936 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.306 -1.449 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.322 -0.471 -9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.720 1.163 -9.577 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.489 0.966 -6.804 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.240 0.902 -5.555 1.00 0.00 C ATOM 1066 C LEU A 70 -8.578 0.200 -5.760 1.00 0.00 C ATOM 1067 O LEU A 70 -9.293 0.474 -6.724 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.468 2.309 -5.002 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.231 3.027 -4.461 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.417 4.535 -4.527 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.940 2.586 -3.034 1.00 0.00 C ATOM 0 H LEU A 70 -6.170 1.901 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.656 0.327 -4.837 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.903 2.922 -5.792 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.207 2.248 -4.203 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.378 2.759 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.527 5.029 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.576 4.837 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.282 4.821 -3.928 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.056 3.107 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.793 2.824 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.762 1.511 -3.015 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.912 -0.704 -4.846 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.165 -1.445 -4.926 1.00 0.00 C ATOM 1085 C TYR A 71 -11.321 -0.523 -5.301 1.00 0.00 C ATOM 1086 O TYR A 71 -12.164 -0.870 -6.128 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.461 -2.135 -3.593 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.880 -2.643 -3.475 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.410 -3.509 -4.424 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.691 -2.258 -2.415 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.706 -3.975 -4.321 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -13.988 -2.721 -2.302 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.491 -3.578 -3.258 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.782 -4.041 -3.151 1.00 0.00 O ATOM 0 H TYR A 71 -8.332 -0.941 -4.041 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.060 -2.201 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.773 -2.971 -3.466 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.266 -1.435 -2.780 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.798 -3.823 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.301 -1.585 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.103 -4.646 -5.068 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.604 -2.414 -1.470 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.198 -3.668 -2.346 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.352 0.656 -4.687 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.404 1.630 -4.956 1.00 0.00 C ATOM 1106 C ASN A 72 -11.851 3.051 -4.919 1.00 0.00 C ATOM 1107 O ASN A 72 -10.680 3.263 -4.608 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.535 1.484 -3.937 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.790 2.227 -4.355 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -14.980 2.533 -5.532 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.652 2.522 -3.389 1.00 0.00 N ATOM 0 H ASN A 72 -10.661 0.960 -4.001 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.797 1.438 -5.954 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.768 0.427 -3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.200 1.858 -2.970 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.513 3.022 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.453 2.248 -2.427 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.703 4.020 -5.239 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.299 5.421 -5.242 1.00 0.00 C ATOM 1120 C GLU A 73 -11.904 5.877 -3.841 1.00 0.00 C ATOM 1121 O GLU A 73 -12.346 5.308 -2.843 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.431 6.301 -5.777 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.376 6.519 -7.279 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.941 7.863 -7.695 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.692 8.857 -6.981 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -14.632 7.921 -8.733 1.00 0.00 O ATOM 0 H GLU A 73 -13.676 3.861 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.432 5.520 -5.895 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.387 5.845 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.395 7.269 -5.277 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.342 6.444 -7.615 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.932 5.725 -7.778 1.00 0.00 H new ATOM 1133 N VAL A 74 -11.068 6.909 -3.774 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.613 7.442 -2.495 1.00 0.00 C ATOM 1135 C VAL A 74 -10.286 8.927 -2.605 1.00 0.00 C ATOM 1136 O VAL A 74 -9.433 9.330 -3.397 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.370 6.690 -1.983 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.658 5.201 -1.867 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.181 6.942 -2.898 1.00 0.00 C ATOM 0 H VAL A 74 -10.692 7.392 -4.590 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.429 7.304 -1.786 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.121 7.066 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.769 4.686 -1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.480 5.043 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.932 4.806 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.311 6.403 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.416 6.594 -3.904 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.963 8.010 -2.925 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.968 9.739 -1.804 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.750 11.180 -1.809 1.00 0.00 C ATOM 1151 C LYS A 75 -9.260 11.505 -1.834 1.00 0.00 C ATOM 1152 O LYS A 75 -8.599 11.518 -0.795 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.401 11.819 -0.580 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.941 13.216 -0.835 1.00 0.00 C ATOM 1155 CD LYS A 75 -12.932 13.635 0.239 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.381 15.076 0.050 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.136 15.580 1.231 1.00 0.00 N ATOM 0 H LYS A 75 -11.677 9.423 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.208 11.588 -2.710 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.215 11.181 -0.237 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.669 11.863 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.115 13.926 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.426 13.247 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.800 12.976 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.475 13.521 1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.510 15.709 -0.121 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.007 15.148 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.828 16.292 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.633 14.789 1.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.474 16.011 1.908 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.736 11.768 -3.027 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.324 12.095 -3.187 1.00 0.00 C ATOM 1173 C VAL A 76 -7.034 13.518 -2.721 1.00 0.00 C ATOM 1174 O VAL A 76 -5.984 13.788 -2.139 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.876 11.945 -4.652 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.698 12.849 -5.558 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.391 12.247 -4.789 1.00 0.00 C ATOM 0 H VAL A 76 -9.268 11.761 -3.897 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.764 11.392 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.044 10.913 -4.960 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.367 12.729 -6.589 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.751 12.580 -5.482 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.566 13.887 -5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.092 12.136 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.196 13.268 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.820 11.553 -4.172 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.971 14.423 -2.983 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.815 15.819 -2.590 1.00 0.00 C ATOM 1189 C GLU A 77 -7.662 15.945 -1.077 1.00 0.00 C ATOM 1190 O GLU A 77 -7.083 16.910 -0.580 1.00 0.00 O ATOM 1191 CB GLU A 77 -9.015 16.642 -3.062 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.335 16.461 -4.537 1.00 0.00 C ATOM 1193 CD GLU A 77 -10.096 17.637 -5.117 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -9.443 18.586 -5.601 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -11.344 17.610 -5.087 1.00 0.00 O ATOM 0 H GLU A 77 -8.845 14.215 -3.465 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.911 16.203 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.889 16.365 -2.473 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.821 17.697 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.407 16.324 -5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.922 15.552 -4.669 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.185 14.961 -0.351 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.108 14.963 1.105 1.00 0.00 C ATOM 1204 C GLU A 78 -7.052 13.976 1.595 1.00 0.00 C ATOM 1205 O GLU A 78 -6.320 14.254 2.544 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.468 14.614 1.711 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.365 15.821 1.930 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.917 16.675 3.101 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.909 16.162 4.240 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -9.575 17.855 2.878 1.00 0.00 O ATOM 0 H GLU A 78 -8.666 14.153 -0.747 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.822 15.964 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.978 13.907 1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.313 14.110 2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.377 16.429 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.387 15.483 2.101 1.00 0.00 H new ATOM 1217 N SER A 79 -6.981 12.822 0.940 1.00 0.00 N ATOM 1218 CA SER A 79 -6.019 11.790 1.311 1.00 0.00 C ATOM 1219 C SER A 79 -4.625 12.386 1.484 1.00 0.00 C ATOM 1220 O SER A 79 -4.299 13.414 0.892 1.00 0.00 O ATOM 1221 CB SER A 79 -5.986 10.688 0.250 1.00 0.00 C ATOM 1222 OG SER A 79 -7.036 9.758 0.450 1.00 0.00 O ATOM 0 H SER A 79 -7.578 12.578 0.150 1.00 0.00 H new ATOM 0 HA SER A 79 -6.333 11.359 2.262 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.072 11.131 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.027 10.172 0.286 1.00 0.00 H new ATOM 0 HG SER A 79 -7.863 10.109 0.059 1.00 0.00 H new ATOM 1228 N SER A 80 -3.806 11.731 2.302 1.00 0.00 N ATOM 1229 CA SER A 80 -2.448 12.196 2.558 1.00 0.00 C ATOM 1230 C SER A 80 -1.627 11.118 3.259 1.00 0.00 C ATOM 1231 O SER A 80 -2.148 10.063 3.620 1.00 0.00 O ATOM 1232 CB SER A 80 -2.474 13.467 3.408 1.00 0.00 C ATOM 1233 OG SER A 80 -1.276 14.209 3.253 1.00 0.00 O ATOM 0 H SER A 80 -4.060 10.877 2.798 1.00 0.00 H new ATOM 0 HA SER A 80 -1.980 12.418 1.599 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.326 14.083 3.121 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.609 13.204 4.457 1.00 0.00 H new ATOM 0 HG SER A 80 -1.318 15.018 3.805 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.342 11.392 3.447 1.00 0.00 N ATOM 1240 CA TRP A 81 0.553 10.445 4.105 1.00 0.00 C ATOM 1241 C TRP A 81 1.579 11.174 4.965 1.00 0.00 C ATOM 1242 O TRP A 81 1.683 12.401 4.919 1.00 0.00 O ATOM 1243 CB TRP A 81 1.263 9.577 3.066 1.00 0.00 C ATOM 1244 CG TRP A 81 2.141 10.360 2.137 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.754 11.026 1.010 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.554 10.557 2.256 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.841 11.625 0.421 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.957 11.354 1.166 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.518 10.140 3.178 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.282 11.738 0.975 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.832 10.523 2.987 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.204 11.316 1.893 1.00 0.00 C ATOM 0 H TRP A 81 0.105 12.261 3.154 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.047 9.805 4.753 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.866 8.828 3.580 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.517 9.039 2.482 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.742 11.075 0.636 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.820 12.182 -0.433 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.241 9.529 4.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.571 12.348 0.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.585 10.206 3.693 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.239 11.600 1.772 1.00 0.00 H new ATOM 1263 N LEU A 82 2.336 10.413 5.747 1.00 0.00 N ATOM 1264 CA LEU A 82 3.356 10.987 6.618 1.00 0.00 C ATOM 1265 C LEU A 82 4.407 9.945 6.987 1.00 0.00 C ATOM 1266 O LEU A 82 4.190 8.744 6.819 1.00 0.00 O ATOM 1267 CB LEU A 82 2.713 11.551 7.886 1.00 0.00 C ATOM 1268 CG LEU A 82 2.378 10.535 8.978 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.611 10.219 9.811 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.253 11.054 9.863 1.00 0.00 C ATOM 0 H LEU A 82 2.263 9.397 5.796 1.00 0.00 H new ATOM 0 HA LEU A 82 3.848 11.795 6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.384 12.299 8.308 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.795 12.068 7.605 1.00 0.00 H new ATOM 0 HG LEU A 82 2.043 9.615 8.500 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.353 9.494 10.583 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.387 9.804 9.169 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.978 11.132 10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.028 10.318 10.635 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.561 11.989 10.332 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.364 11.228 9.257 1.00 0.00 H new ATOM 1282 N ILE A 83 5.543 10.411 7.493 1.00 0.00 N ATOM 1283 CA ILE A 83 6.626 9.519 7.889 1.00 0.00 C ATOM 1284 C ILE A 83 6.562 9.206 9.380 1.00 0.00 C ATOM 1285 O ILE A 83 6.447 10.108 10.209 1.00 0.00 O ATOM 1286 CB ILE A 83 8.003 10.125 7.562 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.140 10.350 6.055 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.115 9.219 8.071 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.238 11.323 5.686 1.00 0.00 C ATOM 0 H ILE A 83 5.738 11.402 7.639 1.00 0.00 H new ATOM 0 HA ILE A 83 6.500 8.598 7.320 1.00 0.00 H new ATOM 0 HB ILE A 83 8.088 11.089 8.064 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.335 9.394 5.569 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.192 10.719 5.663 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.082 9.661 7.832 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.025 9.104 9.151 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.035 8.242 7.595 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.277 11.434 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.034 12.292 6.142 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.195 10.946 6.047 1.00 0.00 H new ATOM 1301 N GLU A 84 6.640 7.921 9.713 1.00 0.00 N ATOM 1302 CA GLU A 84 6.592 7.489 11.105 1.00 0.00 C ATOM 1303 C GLU A 84 7.970 7.045 11.585 1.00 0.00 C ATOM 1304 O GLU A 84 8.526 6.066 11.089 1.00 0.00 O ATOM 1305 CB GLU A 84 5.588 6.346 11.274 1.00 0.00 C ATOM 1306 CG GLU A 84 4.175 6.816 11.576 1.00 0.00 C ATOM 1307 CD GLU A 84 3.380 5.799 12.370 1.00 0.00 C ATOM 1308 OE1 GLU A 84 3.711 4.597 12.298 1.00 0.00 O ATOM 1309 OE2 GLU A 84 2.425 6.205 13.065 1.00 0.00 O ATOM 0 H GLU A 84 6.737 7.162 9.038 1.00 0.00 H new ATOM 0 HA GLU A 84 6.271 8.337 11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.576 5.747 10.363 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.925 5.694 12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.219 7.752 12.132 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.658 7.025 10.640 1.00 0.00 H new ATOM 1316 N ASP A 85 8.516 7.773 12.553 1.00 0.00 N ATOM 1317 CA ASP A 85 9.830 7.456 13.101 1.00 0.00 C ATOM 1318 C ASP A 85 10.860 7.299 11.987 1.00 0.00 C ATOM 1319 O ASP A 85 11.731 6.432 12.050 1.00 0.00 O ATOM 1320 CB ASP A 85 9.762 6.174 13.934 1.00 0.00 C ATOM 1321 CG ASP A 85 9.163 6.407 15.307 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.765 7.165 16.097 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.091 5.833 15.591 1.00 0.00 O ATOM 0 H ASP A 85 8.069 8.587 12.975 1.00 0.00 H new ATOM 0 HA ASP A 85 10.138 8.282 13.742 1.00 0.00 H new ATOM 0 HB2 ASP A 85 9.168 5.430 13.403 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.765 5.762 14.044 1.00 0.00 H new ATOM 1328 N GLY A 86 10.753 8.144 10.966 1.00 0.00 N ATOM 1329 CA GLY A 86 11.681 8.081 9.851 1.00 0.00 C ATOM 1330 C GLY A 86 12.058 6.659 9.489 1.00 0.00 C ATOM 1331 O GLY A 86 13.152 6.407 8.984 1.00 0.00 O ATOM 0 H GLY A 86 10.041 8.871 10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.235 8.567 8.983 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.583 8.640 10.101 1.00 0.00 H new ATOM 1335 N LYS A 87 11.151 5.723 9.750 1.00 0.00 N ATOM 1336 CA LYS A 87 11.392 4.317 9.449 1.00 0.00 C ATOM 1337 C LYS A 87 10.213 3.711 8.695 1.00 0.00 C ATOM 1338 O LYS A 87 10.381 2.792 7.894 1.00 0.00 O ATOM 1339 CB LYS A 87 11.643 3.534 10.740 1.00 0.00 C ATOM 1340 CG LYS A 87 10.426 3.449 11.645 1.00 0.00 C ATOM 1341 CD LYS A 87 10.540 2.293 12.624 1.00 0.00 C ATOM 1342 CE LYS A 87 10.224 0.964 11.955 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.444 0.327 11.385 1.00 0.00 N ATOM 0 H LYS A 87 10.241 5.914 10.170 1.00 0.00 H new ATOM 0 HA LYS A 87 12.276 4.254 8.815 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.968 2.525 10.486 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.460 4.004 11.287 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.314 4.383 12.195 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.528 3.327 11.039 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.548 2.263 13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.858 2.453 13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.768 0.291 12.681 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.492 1.121 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.491 0.519 10.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.289 0.717 11.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.405 -0.700 11.542 1.00 0.00 H new ATOM 1357 N VAL A 88 9.018 4.234 8.956 1.00 0.00 N ATOM 1358 CA VAL A 88 7.811 3.746 8.300 1.00 0.00 C ATOM 1359 C VAL A 88 7.109 4.865 7.539 1.00 0.00 C ATOM 1360 O VAL A 88 7.322 6.046 7.813 1.00 0.00 O ATOM 1361 CB VAL A 88 6.828 3.135 9.316 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.573 2.640 8.614 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.495 2.009 10.091 1.00 0.00 C ATOM 0 H VAL A 88 8.861 4.995 9.617 1.00 0.00 H new ATOM 0 HA VAL A 88 8.123 2.973 7.598 1.00 0.00 H new ATOM 0 HB VAL A 88 6.537 3.910 10.025 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.890 2.212 9.348 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.086 3.474 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.842 1.879 7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.786 1.589 10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.817 1.231 9.398 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.361 2.399 10.626 1.00 0.00 H new ATOM 1373 N VAL A 89 6.269 4.486 6.581 1.00 0.00 N ATOM 1374 CA VAL A 89 5.533 5.457 5.781 1.00 0.00 C ATOM 1375 C VAL A 89 4.038 5.155 5.788 1.00 0.00 C ATOM 1376 O VAL A 89 3.569 4.267 5.074 1.00 0.00 O ATOM 1377 CB VAL A 89 6.034 5.480 4.325 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.130 6.346 3.462 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.473 5.971 4.265 1.00 0.00 C ATOM 0 H VAL A 89 6.081 3.513 6.340 1.00 0.00 H new ATOM 0 HA VAL A 89 5.705 6.434 6.232 1.00 0.00 H new ATOM 0 HB VAL A 89 6.004 4.463 3.933 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.500 6.350 2.437 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.117 5.945 3.480 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.124 7.365 3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.811 5.981 3.229 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.531 6.979 4.675 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.109 5.305 4.848 1.00 0.00 H new ATOM 1389 N THR A 90 3.293 5.900 6.598 1.00 0.00 N ATOM 1390 CA THR A 90 1.852 5.712 6.699 1.00 0.00 C ATOM 1391 C THR A 90 1.114 6.554 5.665 1.00 0.00 C ATOM 1392 O THR A 90 1.480 7.701 5.408 1.00 0.00 O ATOM 1393 CB THR A 90 1.334 6.076 8.104 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.777 7.389 8.464 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.821 5.070 9.137 1.00 0.00 C ATOM 0 H THR A 90 3.664 6.640 7.194 1.00 0.00 H new ATOM 0 HA THR A 90 1.658 4.656 6.510 1.00 0.00 H new ATOM 0 HB THR A 90 0.244 6.054 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.443 7.614 9.357 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.443 5.347 10.121 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.458 4.076 8.876 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.911 5.066 9.155 1.00 0.00 H new ATOM 1403 N VAL A 91 0.072 5.978 5.074 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.719 6.677 4.068 1.00 0.00 C ATOM 1405 C VAL A 91 -2.212 6.526 4.340 1.00 0.00 C ATOM 1406 O VAL A 91 -2.764 5.429 4.247 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.412 6.156 2.651 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.191 6.947 1.611 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.082 6.220 2.373 1.00 0.00 C ATOM 0 H VAL A 91 -0.244 5.029 5.274 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.446 7.731 4.127 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.726 5.114 2.589 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.961 6.565 0.616 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.259 6.845 1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.911 7.999 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.281 5.848 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.423 7.252 2.452 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.614 5.605 3.099 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.861 7.636 4.678 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.291 7.628 4.963 1.00 0.00 C ATOM 1421 C HIS A 92 -5.103 7.752 3.677 1.00 0.00 C ATOM 1422 O HIS A 92 -4.882 8.662 2.877 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.649 8.769 5.917 1.00 0.00 C ATOM 1424 CG HIS A 92 -6.085 9.186 5.839 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.985 8.981 6.864 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.775 9.803 4.852 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -8.167 9.452 6.509 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -8.067 9.957 5.292 1.00 0.00 N ATOM 0 H HIS A 92 -2.419 8.552 4.761 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.536 6.677 5.436 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.423 8.462 6.938 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.017 9.629 5.695 1.00 0.00 H new ATOM 0 HD1 HIS A 92 -6.771 8.535 7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.383 10.116 3.896 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.063 9.428 7.111 1.00 0.00 H new ATOM 1437 N LEU A 93 -6.041 6.832 3.484 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.885 6.837 2.295 1.00 0.00 C ATOM 1439 C LEU A 93 -8.347 7.067 2.665 1.00 0.00 C ATOM 1440 O LEU A 93 -8.962 6.243 3.341 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.741 5.516 1.537 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.393 5.276 0.856 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.242 3.813 0.471 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.247 6.170 -0.367 1.00 0.00 C ATOM 0 H LEU A 93 -6.236 6.072 4.136 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.559 7.655 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.924 4.698 2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.522 5.469 0.778 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.601 5.527 1.562 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.277 3.662 -0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.301 3.193 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.040 3.534 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.282 5.986 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.046 5.950 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.309 7.215 -0.063 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.896 8.191 2.216 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.286 8.528 2.500 1.00 0.00 C ATOM 1458 C GLU A 94 -11.225 7.840 1.513 1.00 0.00 C ATOM 1459 O GLU A 94 -11.043 7.931 0.298 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.489 10.043 2.443 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.922 10.476 2.704 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.195 10.734 4.173 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -11.736 9.930 5.012 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -12.868 11.738 4.485 1.00 0.00 O ATOM 0 H GLU A 94 -8.400 8.883 1.655 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.521 8.175 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.836 10.516 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.182 10.405 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.134 11.381 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.602 9.705 2.342 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.230 7.152 2.042 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.199 6.449 1.210 1.00 0.00 C ATOM 1473 C LYS A 95 -14.347 7.372 0.814 1.00 0.00 C ATOM 1474 O LYS A 95 -15.159 7.764 1.653 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.747 5.226 1.950 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.744 4.092 2.075 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.366 2.868 2.726 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.304 1.937 3.292 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.905 0.767 3.989 1.00 0.00 N ATOM 0 H LYS A 95 -12.395 7.066 3.045 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.690 6.120 0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -14.067 5.528 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.632 4.862 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.367 3.828 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.889 4.424 2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -14.039 3.182 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.969 2.331 1.993 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.660 1.587 2.485 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.672 2.488 3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.438 0.633 4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.920 0.935 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.777 -0.086 3.408 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.409 7.714 -0.469 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.460 8.589 -0.975 1.00 0.00 C ATOM 1495 C ILE A 96 -16.765 8.377 -0.217 1.00 0.00 C ATOM 1496 O ILE A 96 -17.476 9.331 0.094 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.708 8.358 -2.478 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.450 8.690 -3.282 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.885 9.196 -2.955 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -13.917 10.081 -3.023 1.00 0.00 C ATOM 0 H ILE A 96 -13.745 7.399 -1.176 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.118 9.613 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.949 7.306 -2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.674 7.962 -3.044 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.670 8.586 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.048 9.022 -4.019 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.780 8.915 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.671 10.252 -2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.025 10.247 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.676 10.817 -3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.665 10.183 -1.967 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.073 7.118 0.080 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.293 6.780 0.804 1.00 0.00 C ATOM 1514 C ASN A 97 -17.970 6.053 2.106 1.00 0.00 C ATOM 1515 O ASN A 97 -17.392 4.966 2.096 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.203 5.911 -0.066 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.712 6.649 -1.289 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.074 7.823 -1.213 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.741 5.962 -2.425 1.00 0.00 N ATOM 0 H ASN A 97 -16.495 6.316 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.811 7.708 1.046 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.657 5.022 -0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -20.051 5.570 0.528 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -20.073 6.406 -3.281 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.431 4.990 -2.441 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.347 6.661 3.226 1.00 0.00 N ATOM 1527 CA LYS A 98 -18.099 6.072 4.537 1.00 0.00 C ATOM 1528 C LYS A 98 -18.931 4.809 4.731 1.00 0.00 C ATOM 1529 O LYS A 98 -18.663 4.010 5.628 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.420 7.082 5.641 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.655 8.388 5.511 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.182 8.206 5.834 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.384 9.463 5.525 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.210 9.611 6.429 1.00 0.00 N ATOM 0 H LYS A 98 -18.825 7.561 3.252 1.00 0.00 H new ATOM 0 HA LYS A 98 -17.044 5.804 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.489 7.294 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.195 6.634 6.609 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.761 8.773 4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -18.086 9.132 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.068 7.952 6.888 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.783 7.370 5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.044 9.432 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.029 10.336 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.202 10.569 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.272 8.912 7.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -13.335 9.456 5.889 1.00 0.00 H new ATOM 1548 N MET A 99 -19.941 4.634 3.885 1.00 0.00 N ATOM 1549 CA MET A 99 -20.810 3.466 3.963 1.00 0.00 C ATOM 1550 C MET A 99 -20.367 2.391 2.976 1.00 0.00 C ATOM 1551 O MET A 99 -21.188 1.635 2.459 1.00 0.00 O ATOM 1552 CB MET A 99 -22.261 3.863 3.685 1.00 0.00 C ATOM 1553 CG MET A 99 -22.899 4.659 4.812 1.00 0.00 C ATOM 1554 SD MET A 99 -23.308 3.637 6.240 1.00 0.00 S ATOM 1555 CE MET A 99 -22.456 4.520 7.544 1.00 0.00 C ATOM 0 H MET A 99 -20.178 5.286 3.138 1.00 0.00 H new ATOM 0 HA MET A 99 -20.739 3.059 4.972 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.299 4.452 2.768 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.849 2.962 3.510 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.219 5.453 5.121 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.805 5.141 4.444 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.615 4.009 8.493 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.389 4.554 7.324 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.845 5.536 7.610 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.064 2.331 2.719 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.513 1.349 1.792 1.00 0.00 C ATOM 1567 C GLU A 100 -17.311 0.637 2.404 1.00 0.00 C ATOM 1568 O GLU A 100 -16.487 1.256 3.078 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.107 2.025 0.480 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.811 1.045 -0.643 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.040 0.715 -1.468 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.859 1.628 -1.705 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.183 -0.456 -1.876 1.00 0.00 O ATOM 0 H GLU A 100 -18.371 2.950 3.139 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.285 0.608 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -18.906 2.696 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.225 2.640 0.656 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.043 1.464 -1.293 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.404 0.126 -0.221 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.218 -0.666 2.165 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.116 -1.463 2.694 1.00 0.00 C ATOM 1582 C TRP A 101 -15.102 -1.783 1.601 1.00 0.00 C ATOM 1583 O TRP A 101 -15.365 -1.569 0.417 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.647 -2.759 3.309 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.082 -2.605 4.735 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.361 -2.451 5.190 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.238 -2.587 5.891 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.362 -2.339 6.559 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.073 -2.420 7.014 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.859 -2.698 6.088 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.572 -2.361 8.312 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.363 -2.638 7.377 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.218 -2.472 8.475 1.00 0.00 C ATOM 0 H TRP A 101 -17.891 -1.193 1.609 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.617 -0.879 3.467 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.489 -3.116 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.872 -3.523 3.254 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.242 -2.422 4.565 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.189 -2.215 7.143 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.193 -2.828 5.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.229 -2.232 9.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.299 -2.720 7.541 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.800 -2.431 9.470 1.00 0.00 H new ATOM 1604 N TRP A 102 -13.946 -2.295 2.005 1.00 0.00 N ATOM 1605 CA TRP A 102 -12.893 -2.644 1.058 1.00 0.00 C ATOM 1606 C TRP A 102 -12.464 -4.097 1.232 1.00 0.00 C ATOM 1607 O TRP A 102 -12.239 -4.557 2.350 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.688 -1.719 1.239 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.826 -0.415 0.513 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.956 0.344 0.398 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.798 0.281 -0.201 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.692 1.470 -0.344 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.376 1.456 -0.722 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.446 0.028 -0.448 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.647 2.372 -1.476 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.725 0.938 -1.197 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.325 2.098 -1.703 1.00 0.00 C ATOM 0 H TRP A 102 -13.713 -2.478 2.981 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.290 -2.520 0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.547 -1.522 2.302 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.791 -2.229 0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.915 0.096 0.827 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.367 2.199 -0.576 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -8.973 -0.862 -0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.108 3.267 -1.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.680 0.751 -1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.733 2.790 -2.284 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.353 -4.814 0.118 1.00 0.00 N ATOM 1629 CA ASN A 103 -11.951 -6.216 0.149 1.00 0.00 C ATOM 1630 C ASN A 103 -10.432 -6.345 0.192 1.00 0.00 C ATOM 1631 O ASN A 103 -9.898 -7.371 0.615 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.502 -6.952 -1.074 1.00 0.00 C ATOM 1633 CG ASN A 103 -13.993 -7.213 -0.969 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -14.673 -6.651 -0.110 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -14.507 -8.068 -1.845 1.00 0.00 N ATOM 0 H ASN A 103 -12.536 -4.448 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.362 -6.667 1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.301 -6.364 -1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.977 -7.900 -1.191 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.504 -8.283 -1.823 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.905 -8.510 -2.540 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.741 -5.298 -0.248 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.283 -5.295 -0.260 1.00 0.00 C ATOM 1644 C ARG A 104 -7.746 -3.911 -0.612 1.00 0.00 C ATOM 1645 O ARG A 104 -8.357 -3.175 -1.387 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.758 -6.328 -1.259 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.303 -6.146 -2.666 1.00 0.00 C ATOM 1648 CD ARG A 104 -7.611 -7.070 -3.655 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.213 -6.999 -4.984 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.060 -7.938 -5.911 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -7.329 -9.015 -5.655 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -8.640 -7.802 -7.097 1.00 0.00 N ATOM 0 H ARG A 104 -10.167 -4.441 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 104 -7.935 -5.557 0.739 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.670 -6.271 -1.290 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.015 -7.326 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.375 -6.344 -2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.168 -5.110 -2.978 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.556 -6.806 -3.721 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.661 -8.095 -3.289 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.782 -6.184 -5.213 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.883 -9.124 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.213 -9.734 -6.369 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.204 -6.976 -7.297 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.522 -8.524 -7.808 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.599 -3.564 -0.037 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.979 -2.268 -0.289 1.00 0.00 C ATOM 1668 C LEU A 105 -5.934 -1.968 -1.784 1.00 0.00 C ATOM 1669 O LEU A 105 -6.486 -0.967 -2.244 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.564 -2.236 0.291 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.970 -0.849 0.536 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -2.746 -0.943 1.434 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -3.615 -0.180 -0.784 1.00 0.00 C ATOM 0 H LEU A 105 -6.080 -4.162 0.606 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.583 -1.503 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.568 -2.780 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -3.903 -2.778 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.719 -0.238 1.040 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.337 0.054 1.597 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -3.030 -1.380 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.993 -1.571 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.194 0.806 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.884 -0.789 -1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.513 -0.077 -1.393 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.276 -2.841 -2.539 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.162 -2.672 -3.983 1.00 0.00 C ATOM 1687 C VAL A 106 -5.205 -4.017 -4.699 1.00 0.00 C ATOM 1688 O VAL A 106 -4.921 -5.058 -4.107 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.859 -1.942 -4.361 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.967 -0.459 -4.043 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.672 -2.565 -3.643 1.00 0.00 C ATOM 0 H VAL A 106 -4.813 -3.674 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.013 -2.069 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.701 -2.048 -5.434 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.038 0.040 -4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.792 -0.025 -4.608 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -4.149 -0.328 -2.976 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.760 -2.037 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.819 -2.491 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.585 -3.614 -3.926 1.00 0.00 H new ATOM 1701 N THR A 107 -5.561 -3.988 -5.980 1.00 0.00 N ATOM 1702 CA THR A 107 -5.642 -5.205 -6.778 1.00 0.00 C ATOM 1703 C THR A 107 -4.417 -6.087 -6.562 1.00 0.00 C ATOM 1704 O THR A 107 -4.473 -7.301 -6.753 1.00 0.00 O ATOM 1705 CB THR A 107 -5.770 -4.884 -8.279 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.599 -4.198 -8.736 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.001 -4.031 -8.547 1.00 0.00 C ATOM 0 H THR A 107 -5.798 -3.135 -6.487 1.00 0.00 H new ATOM 0 HA THR A 107 -6.534 -5.739 -6.450 1.00 0.00 H new ATOM 0 HB THR A 107 -5.874 -5.824 -8.821 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.688 -3.999 -9.692 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.070 -3.817 -9.614 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.893 -4.569 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.923 -3.095 -7.994 1.00 0.00 H new ATOM 1715 N SER A 108 -3.311 -5.468 -6.160 1.00 0.00 N ATOM 1716 CA SER A 108 -2.072 -6.197 -5.920 1.00 0.00 C ATOM 1717 C SER A 108 -1.985 -6.659 -4.469 1.00 0.00 C ATOM 1718 O SER A 108 -0.914 -6.640 -3.863 1.00 0.00 O ATOM 1719 CB SER A 108 -0.865 -5.320 -6.261 1.00 0.00 C ATOM 1720 OG SER A 108 0.346 -6.041 -6.118 1.00 0.00 O ATOM 0 H SER A 108 -3.248 -4.464 -5.994 1.00 0.00 H new ATOM 0 HA SER A 108 -2.067 -7.077 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 108 -0.955 -4.954 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 108 -0.851 -4.446 -5.609 1.00 0.00 H new ATOM 0 HG SER A 108 0.378 -6.453 -5.230 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.121 -7.074 -3.918 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.175 -7.542 -2.538 1.00 0.00 C ATOM 1728 C ASP A 109 -4.181 -8.680 -2.390 1.00 0.00 C ATOM 1729 O ASP A 109 -5.055 -8.882 -3.233 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.545 -6.392 -1.601 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.327 -5.655 -1.079 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.560 -6.256 -0.298 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.140 -4.478 -1.452 1.00 0.00 O ATOM 0 H ASP A 109 -4.016 -7.096 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.188 -7.916 -2.268 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.192 -5.691 -2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.118 -6.783 -0.760 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.055 -9.442 -1.293 1.00 0.00 N ATOM 1739 CA PRO A 110 -4.944 -10.572 -1.008 1.00 0.00 C ATOM 1740 C PRO A 110 -6.357 -10.123 -0.654 1.00 0.00 C ATOM 1741 O PRO A 110 -6.548 -9.079 -0.031 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.281 -11.251 0.193 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.501 -10.169 0.856 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.036 -9.258 -0.246 1.00 0.00 C ATOM 0 HA PRO A 110 -5.062 -11.226 -1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.024 -11.674 0.869 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -3.634 -12.069 -0.122 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.117 -9.629 1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.654 -10.579 1.406 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -2.983 -8.221 0.085 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.042 -9.531 -0.600 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.344 -10.919 -1.054 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.740 -10.601 -0.777 1.00 0.00 C ATOM 1754 C GLU A 111 -9.175 -11.183 0.564 1.00 0.00 C ATOM 1755 O GLU A 111 -8.762 -12.281 0.940 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.639 -11.138 -1.894 1.00 0.00 C ATOM 1757 CG GLU A 111 -9.414 -10.460 -3.235 1.00 0.00 C ATOM 1758 CD GLU A 111 -10.033 -11.227 -4.387 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -10.090 -12.472 -4.308 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -10.459 -10.583 -5.369 1.00 0.00 O ATOM 0 H GLU A 111 -7.203 -11.787 -1.570 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.837 -9.516 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.467 -12.209 -2.004 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.682 -11.011 -1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.835 -9.455 -3.205 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.343 -10.352 -3.409 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.011 -10.440 1.282 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.502 -10.882 2.581 1.00 0.00 C ATOM 1769 C ILE A 112 -12.017 -10.732 2.676 1.00 0.00 C ATOM 1770 O ILE A 112 -12.582 -9.740 2.218 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.846 -10.093 3.729 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.933 -8.589 3.459 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.397 -10.522 3.907 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.810 -7.743 4.706 1.00 0.00 C ATOM 0 H ILE A 112 -10.362 -9.529 0.986 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.237 -11.935 2.677 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.384 -10.309 4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.146 -8.308 2.760 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.884 -8.370 2.973 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.947 -9.955 4.722 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.359 -11.586 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.846 -10.333 2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.881 -6.689 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.613 -7.996 5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.848 -7.933 5.181 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.668 -11.723 3.276 1.00 0.00 N ATOM 1787 CA ASN A 113 -14.118 -11.700 3.433 1.00 0.00 C ATOM 1788 C ASN A 113 -14.558 -10.487 4.247 1.00 0.00 C ATOM 1789 O ASN A 113 -14.014 -10.211 5.316 1.00 0.00 O ATOM 1790 CB ASN A 113 -14.598 -12.985 4.112 1.00 0.00 C ATOM 1791 CG ASN A 113 -16.079 -13.232 3.899 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -16.861 -13.244 4.850 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -16.472 -13.431 2.646 1.00 0.00 N ATOM 0 H ASN A 113 -12.215 -12.552 3.661 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.565 -11.631 2.441 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -14.032 -13.831 3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.392 -12.927 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.456 -13.602 2.441 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -15.789 -13.412 1.888 1.00 0.00 H new ATOM 1800 N THR A 114 -15.549 -9.765 3.733 1.00 0.00 N ATOM 1801 CA THR A 114 -16.063 -8.581 4.410 1.00 0.00 C ATOM 1802 C THR A 114 -17.400 -8.869 5.082 1.00 0.00 C ATOM 1803 O THR A 114 -18.024 -9.901 4.831 1.00 0.00 O ATOM 1804 CB THR A 114 -16.235 -7.404 3.431 1.00 0.00 C ATOM 1805 OG1 THR A 114 -17.172 -7.753 2.406 1.00 0.00 O ATOM 1806 CG2 THR A 114 -14.904 -7.025 2.801 1.00 0.00 C ATOM 0 H THR A 114 -16.012 -9.980 2.850 1.00 0.00 H new ATOM 0 HA THR A 114 -15.330 -8.308 5.169 1.00 0.00 H new ATOM 0 HB THR A 114 -16.611 -6.547 3.990 1.00 0.00 H new ATOM 0 HG1 THR A 114 -17.277 -6.999 1.789 1.00 0.00 H new ATOM 0 HG21 THR A 114 -15.051 -6.192 2.114 1.00 0.00 H new ATOM 0 HG22 THR A 114 -14.202 -6.732 3.582 1.00 0.00 H new ATOM 0 HG23 THR A 114 -14.503 -7.879 2.255 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.838 -7.950 5.936 1.00 0.00 N ATOM 1815 CA LYS A 115 -19.104 -8.104 6.643 1.00 0.00 C ATOM 1816 C LYS A 115 -20.206 -7.296 5.967 1.00 0.00 C ATOM 1817 O LYS A 115 -21.260 -7.832 5.622 1.00 0.00 O ATOM 1818 CB LYS A 115 -18.954 -7.662 8.101 1.00 0.00 C ATOM 1819 CG LYS A 115 -20.272 -7.588 8.853 1.00 0.00 C ATOM 1820 CD LYS A 115 -20.693 -8.952 9.375 1.00 0.00 C ATOM 1821 CE LYS A 115 -22.021 -8.880 10.112 1.00 0.00 C ATOM 1822 NZ LYS A 115 -22.229 -10.060 10.997 1.00 0.00 N ATOM 0 H LYS A 115 -17.335 -7.090 6.155 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.381 -9.158 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -18.290 -8.356 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -18.475 -6.683 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -20.178 -6.892 9.686 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -21.046 -7.194 8.194 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -20.775 -9.652 8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -19.925 -9.340 10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.057 -7.968 10.708 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -22.835 -8.820 9.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.145 -9.973 11.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.221 -10.929 10.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -21.467 -10.103 11.703 1.00 0.00 H new ATOM 1836 N SER A 116 -19.957 -6.004 5.779 1.00 0.00 N ATOM 1837 CA SER A 116 -20.930 -5.121 5.145 1.00 0.00 C ATOM 1838 C SER A 116 -22.181 -4.985 6.007 1.00 0.00 C ATOM 1839 O SER A 116 -23.303 -5.042 5.505 1.00 0.00 O ATOM 1840 CB SER A 116 -21.306 -5.652 3.760 1.00 0.00 C ATOM 1841 OG SER A 116 -20.153 -5.850 2.960 1.00 0.00 O ATOM 0 H SER A 116 -19.090 -5.545 6.057 1.00 0.00 H new ATOM 0 HA SER A 116 -20.475 -4.136 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 116 -21.848 -6.592 3.862 1.00 0.00 H new ATOM 0 HB3 SER A 116 -21.978 -4.949 3.268 1.00 0.00 H new ATOM 0 HG SER A 116 -20.420 -6.191 2.081 1.00 0.00 H new ATOM 1847 N GLY A 117 -21.979 -4.804 7.309 1.00 0.00 N ATOM 1848 CA GLY A 117 -23.099 -4.662 8.221 1.00 0.00 C ATOM 1849 C GLY A 117 -23.362 -3.218 8.596 1.00 0.00 C ATOM 1850 O GLY A 117 -22.682 -2.640 9.444 1.00 0.00 O ATOM 0 H GLY A 117 -21.060 -4.753 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -23.993 -5.083 7.762 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -22.903 -5.239 9.125 1.00 0.00 H new ATOM 1854 N PRO A 118 -24.370 -2.609 7.953 1.00 0.00 N ATOM 1855 CA PRO A 118 -24.743 -1.215 8.206 1.00 0.00 C ATOM 1856 C PRO A 118 -25.375 -1.024 9.581 1.00 0.00 C ATOM 1857 O PRO A 118 -25.817 -1.986 10.210 1.00 0.00 O ATOM 1858 CB PRO A 118 -25.761 -0.914 7.103 1.00 0.00 C ATOM 1859 CG PRO A 118 -26.335 -2.241 6.745 1.00 0.00 C ATOM 1860 CD PRO A 118 -25.223 -3.236 6.929 1.00 0.00 C ATOM 0 HA PRO A 118 -23.877 -0.554 8.197 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -26.534 -0.230 7.454 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -25.285 -0.443 6.243 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -27.185 -2.483 7.383 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -26.696 -2.245 5.717 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -25.600 -4.204 7.258 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -24.678 -3.405 6.001 1.00 0.00 H new ATOM 1868 N SER A 119 -25.416 0.222 10.041 1.00 0.00 N ATOM 1869 CA SER A 119 -25.991 0.537 11.343 1.00 0.00 C ATOM 1870 C SER A 119 -27.505 0.697 11.244 1.00 0.00 C ATOM 1871 O SER A 119 -28.261 -0.042 11.875 1.00 0.00 O ATOM 1872 CB SER A 119 -25.368 1.817 11.904 1.00 0.00 C ATOM 1873 OG SER A 119 -24.146 1.542 12.566 1.00 0.00 O ATOM 0 H SER A 119 -25.058 1.030 9.531 1.00 0.00 H new ATOM 0 HA SER A 119 -25.773 -0.291 12.018 1.00 0.00 H new ATOM 0 HB2 SER A 119 -25.195 2.526 11.094 1.00 0.00 H new ATOM 0 HB3 SER A 119 -26.063 2.289 12.598 1.00 0.00 H new ATOM 0 HG SER A 119 -23.767 2.376 12.914 1.00 0.00 H new ATOM 1879 N SER A 120 -27.941 1.667 10.447 1.00 0.00 N ATOM 1880 CA SER A 120 -29.364 1.928 10.267 1.00 0.00 C ATOM 1881 C SER A 120 -29.610 2.755 9.009 1.00 0.00 C ATOM 1882 O SER A 120 -28.864 3.686 8.709 1.00 0.00 O ATOM 1883 CB SER A 120 -29.930 2.655 11.488 1.00 0.00 C ATOM 1884 OG SER A 120 -31.336 2.799 11.390 1.00 0.00 O ATOM 0 H SER A 120 -27.329 2.286 9.915 1.00 0.00 H new ATOM 0 HA SER A 120 -29.872 0.970 10.156 1.00 0.00 H new ATOM 0 HB2 SER A 120 -29.680 2.101 12.393 1.00 0.00 H new ATOM 0 HB3 SER A 120 -29.466 3.637 11.577 1.00 0.00 H new ATOM 0 HG SER A 120 -31.673 3.265 12.183 1.00 0.00 H new ATOM 1890 N GLY A 121 -30.664 2.408 8.276 1.00 0.00 N ATOM 1891 CA GLY A 121 -30.991 3.128 7.059 1.00 0.00 C ATOM 1892 C GLY A 121 -31.225 4.605 7.304 1.00 0.00 C ATOM 1893 O GLY A 121 -32.364 5.071 7.282 1.00 0.00 O ATOM 0 H GLY A 121 -31.297 1.641 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -30.181 3.006 6.340 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -31.884 2.691 6.611 1.00 0.00 H new TER 1897 GLY A 121