USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 737 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 82 SER OG : rot 180:sc= 0.0951 USER MOD Set 1.2: A 87 THR OG1 : rot -87:sc= 0.34 USER MOD Set 2.1: A 73 ASN : amide:sc= -1.16 K(o=-0.74,f=-5.5!) USER MOD Set 2.2: A 75 TYR OH : rot -161:sc= 0.418 USER MOD Single : A 1 MET CE :methyl -161:sc= -0.116 (180deg=-0.669) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0856 (180deg=-0.0174) USER MOD Single : A 3 GLN : amide:sc= -0.0996 K(o=-0.1,f=-0.64) USER MOD Single : A 11 SER OG : rot 15:sc= 1.21 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 18 GLN : amide:sc= -1.18 K(o=-1.2,f=0) USER MOD Single : A 22 THR OG1 : rot 130:sc= 0.843 USER MOD Single : A 30 SER OG : rot 69:sc= 0.47 USER MOD Single : A 31 TYR OH : rot -130:sc= -0.589 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -1.27! K(o=-1.3!,f=-2) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.067 USER MOD Single : A 58 GLN : amide:sc= -1.27! C(o=-1.3!,f=-1.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.975 USER MOD Single : A 64 ASN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 69 TYR OH : rot 180:sc= -1.17 USER MOD Single : A 70 SER OG : rot 23:sc= 0.086 USER MOD Single : A 71 SER OG : rot 180:sc= 0.00433 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00213 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 ASN : amide:sc= -0.0494 X(o=-0.049,f=-0.063) USER MOD Single : A 96 THR OG1 : rot -52:sc= -0.151 USER MOD Single : A 98 LYS NZ :NH3+ -146:sc= 1.25 (180deg=0.368) USER MOD Single : A 101 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.272 -0.724 3.739 1.00 1.09 N ATOM 2 CA MET A 1 16.986 -1.423 3.966 1.00 0.39 C ATOM 3 C MET A 1 15.814 -0.546 3.543 1.00 0.30 C ATOM 4 O MET A 1 15.944 0.675 3.422 1.00 0.45 O ATOM 5 CB MET A 1 16.830 -1.811 5.440 1.00 1.38 C ATOM 6 CG MET A 1 17.773 -2.916 5.892 1.00 2.13 C ATOM 7 SD MET A 1 17.562 -3.350 7.631 1.00 3.23 S ATOM 8 CE MET A 1 17.971 -1.798 8.428 1.00 3.75 C ATOM 0 H1 MET A 1 18.796 -1.200 2.978 1.00 1.09 H new ATOM 0 H2 MET A 1 18.088 0.263 3.467 1.00 1.09 H new ATOM 0 H3 MET A 1 18.836 -0.743 4.612 1.00 1.09 H new ATOM 0 HA MET A 1 16.989 -2.329 3.360 1.00 0.39 H new ATOM 0 HB2 MET A 1 16.999 -0.929 6.057 1.00 1.38 H new ATOM 0 HB3 MET A 1 15.803 -2.130 5.614 1.00 1.38 H new ATOM 0 HG2 MET A 1 17.607 -3.802 5.279 1.00 2.13 H new ATOM 0 HG3 MET A 1 18.802 -2.600 5.724 1.00 2.13 H new ATOM 0 HE1 MET A 1 18.216 -1.980 9.475 1.00 3.75 H new ATOM 0 HE2 MET A 1 18.828 -1.347 7.928 1.00 3.75 H new ATOM 0 HE3 MET A 1 17.118 -1.122 8.367 1.00 3.75 H new ATOM 20 N VAL A 2 14.673 -1.181 3.315 1.00 0.15 N ATOM 21 CA VAL A 2 13.459 -0.486 2.919 1.00 0.10 C ATOM 22 C VAL A 2 12.483 -0.419 4.104 1.00 0.09 C ATOM 23 O VAL A 2 12.602 -1.181 5.060 1.00 0.12 O ATOM 24 CB VAL A 2 12.784 -1.194 1.713 1.00 0.08 C ATOM 25 CG1 VAL A 2 11.566 -0.433 1.255 1.00 0.08 C ATOM 26 CG2 VAL A 2 13.752 -1.353 0.555 1.00 0.09 C ATOM 0 H VAL A 2 14.564 -2.192 3.400 1.00 0.15 H new ATOM 0 HA VAL A 2 13.726 0.526 2.616 1.00 0.10 H new ATOM 0 HB VAL A 2 12.478 -2.185 2.049 1.00 0.08 H new ATOM 0 HG11 VAL A 2 11.111 -0.949 0.409 1.00 0.08 H new ATOM 0 HG12 VAL A 2 10.847 -0.371 2.072 1.00 0.08 H new ATOM 0 HG13 VAL A 2 11.858 0.573 0.952 1.00 0.08 H new ATOM 0 HG21 VAL A 2 13.249 -1.852 -0.274 1.00 0.09 H new ATOM 0 HG22 VAL A 2 14.097 -0.371 0.232 1.00 0.09 H new ATOM 0 HG23 VAL A 2 14.606 -1.951 0.874 1.00 0.09 H new ATOM 36 N GLN A 3 11.541 0.505 4.034 1.00 0.09 N ATOM 37 CA GLN A 3 10.533 0.710 5.052 1.00 0.10 C ATOM 38 C GLN A 3 9.180 0.708 4.358 1.00 0.11 C ATOM 39 O GLN A 3 9.104 1.009 3.172 1.00 0.17 O ATOM 40 CB GLN A 3 10.782 2.051 5.748 1.00 0.16 C ATOM 41 CG GLN A 3 9.705 2.437 6.720 1.00 0.79 C ATOM 42 CD GLN A 3 9.546 1.446 7.856 1.00 1.14 C ATOM 43 OE1 GLN A 3 10.505 0.794 8.271 1.00 1.37 O ATOM 44 NE2 GLN A 3 8.330 1.318 8.361 1.00 2.03 N ATOM 0 H GLN A 3 11.456 1.148 3.247 1.00 0.09 H new ATOM 0 HA GLN A 3 10.566 -0.075 5.808 1.00 0.10 H new ATOM 0 HB2 GLN A 3 11.735 2.005 6.275 1.00 0.16 H new ATOM 0 HB3 GLN A 3 10.873 2.831 4.992 1.00 0.16 H new ATOM 0 HG2 GLN A 3 9.932 3.420 7.133 1.00 0.79 H new ATOM 0 HG3 GLN A 3 8.758 2.525 6.188 1.00 0.79 H new ATOM 0 HE21 GLN A 3 7.562 1.877 7.989 1.00 2.03 H new ATOM 0 HE22 GLN A 3 8.161 0.661 9.122 1.00 2.03 H new ATOM 53 N CYS A 4 8.115 0.366 5.058 1.00 0.12 N ATOM 54 CA CYS A 4 6.840 0.247 4.389 1.00 0.13 C ATOM 55 C CYS A 4 5.710 0.826 5.214 1.00 0.17 C ATOM 56 O CYS A 4 5.750 0.843 6.448 1.00 0.29 O ATOM 57 CB CYS A 4 6.556 -1.211 4.049 1.00 0.17 C ATOM 58 SG CYS A 4 5.720 -2.145 5.369 1.00 0.30 S ATOM 0 H CYS A 4 8.107 0.171 6.059 1.00 0.12 H new ATOM 0 HA CYS A 4 6.899 0.825 3.467 1.00 0.13 H new ATOM 0 HB2 CYS A 4 5.941 -1.248 3.150 1.00 0.17 H new ATOM 0 HB3 CYS A 4 7.498 -1.706 3.812 1.00 0.17 H new ATOM 63 N GLU A 5 4.718 1.312 4.498 1.00 0.14 N ATOM 64 CA GLU A 5 3.511 1.869 5.062 1.00 0.16 C ATOM 65 C GLU A 5 2.358 1.499 4.150 1.00 0.15 C ATOM 66 O GLU A 5 2.570 0.893 3.100 1.00 0.17 O ATOM 67 CB GLU A 5 3.626 3.386 5.198 1.00 0.24 C ATOM 68 CG GLU A 5 4.676 3.818 6.202 1.00 0.33 C ATOM 69 CD GLU A 5 4.697 5.309 6.426 1.00 1.14 C ATOM 70 OE1 GLU A 5 3.670 5.857 6.882 1.00 1.39 O ATOM 71 OE2 GLU A 5 5.740 5.939 6.162 1.00 1.87 O ATOM 0 H GLU A 5 4.732 1.330 3.478 1.00 0.14 H new ATOM 0 HA GLU A 5 3.344 1.467 6.061 1.00 0.16 H new ATOM 0 HB2 GLU A 5 3.865 3.814 4.225 1.00 0.24 H new ATOM 0 HB3 GLU A 5 2.659 3.792 5.496 1.00 0.24 H new ATOM 0 HG2 GLU A 5 4.491 3.316 7.152 1.00 0.33 H new ATOM 0 HG3 GLU A 5 5.657 3.494 5.856 1.00 0.33 H new ATOM 78 N VAL A 6 1.148 1.839 4.545 1.00 0.17 N ATOM 79 CA VAL A 6 -0.027 1.442 3.795 1.00 0.18 C ATOM 80 C VAL A 6 -1.033 2.573 3.669 1.00 0.21 C ATOM 81 O VAL A 6 -1.646 2.997 4.649 1.00 0.33 O ATOM 82 CB VAL A 6 -0.687 0.233 4.445 1.00 0.19 C ATOM 83 CG1 VAL A 6 -0.068 -1.044 3.911 1.00 0.17 C ATOM 84 CG2 VAL A 6 -0.537 0.318 5.956 1.00 0.20 C ATOM 0 H VAL A 6 0.952 2.389 5.381 1.00 0.17 H new ATOM 0 HA VAL A 6 0.305 1.180 2.791 1.00 0.18 H new ATOM 0 HB VAL A 6 -1.750 0.225 4.202 1.00 0.19 H new ATOM 0 HG11 VAL A 6 -0.545 -1.904 4.381 1.00 0.17 H new ATOM 0 HG12 VAL A 6 -0.211 -1.094 2.832 1.00 0.17 H new ATOM 0 HG13 VAL A 6 0.998 -1.053 4.136 1.00 0.17 H new ATOM 0 HG21 VAL A 6 -1.010 -0.548 6.418 1.00 0.20 H new ATOM 0 HG22 VAL A 6 0.521 0.335 6.216 1.00 0.20 H new ATOM 0 HG23 VAL A 6 -1.014 1.228 6.318 1.00 0.20 H new ATOM 94 N GLU A 7 -1.197 3.045 2.444 1.00 0.16 N ATOM 95 CA GLU A 7 -2.018 4.207 2.160 1.00 0.16 C ATOM 96 C GLU A 7 -3.262 3.849 1.382 1.00 0.16 C ATOM 97 O GLU A 7 -3.346 2.809 0.730 1.00 0.28 O ATOM 98 CB GLU A 7 -1.236 5.210 1.329 1.00 0.26 C ATOM 99 CG GLU A 7 -0.203 6.027 2.081 1.00 0.24 C ATOM 100 CD GLU A 7 0.395 5.340 3.293 1.00 1.05 C ATOM 101 OE1 GLU A 7 1.347 4.545 3.116 1.00 2.01 O ATOM 102 OE2 GLU A 7 -0.093 5.564 4.415 1.00 1.11 O ATOM 0 H GLU A 7 -0.763 2.632 1.619 1.00 0.16 H new ATOM 0 HA GLU A 7 -2.304 4.627 3.124 1.00 0.16 H new ATOM 0 HB2 GLU A 7 -0.732 4.673 0.525 1.00 0.26 H new ATOM 0 HB3 GLU A 7 -1.943 5.895 0.861 1.00 0.26 H new ATOM 0 HG2 GLU A 7 0.603 6.287 1.395 1.00 0.24 H new ATOM 0 HG3 GLU A 7 -0.663 6.962 2.401 1.00 0.24 H new ATOM 109 N ALA A 8 -4.210 4.748 1.461 1.00 0.14 N ATOM 110 CA ALA A 8 -5.399 4.707 0.649 1.00 0.12 C ATOM 111 C ALA A 8 -5.680 6.130 0.173 1.00 0.15 C ATOM 112 O ALA A 8 -5.791 7.044 0.989 1.00 0.17 O ATOM 113 CB ALA A 8 -6.551 4.169 1.466 1.00 0.13 C ATOM 0 H ALA A 8 -4.177 5.541 2.101 1.00 0.14 H new ATOM 0 HA ALA A 8 -5.268 4.051 -0.211 1.00 0.12 H new ATOM 0 HB1 ALA A 8 -7.450 4.138 0.851 1.00 0.13 H new ATOM 0 HB2 ALA A 8 -6.313 3.163 1.812 1.00 0.13 H new ATOM 0 HB3 ALA A 8 -6.721 4.817 2.326 1.00 0.13 H new ATOM 119 N ALA A 9 -5.785 6.325 -1.126 1.00 0.16 N ATOM 120 CA ALA A 9 -5.904 7.664 -1.689 1.00 0.19 C ATOM 121 C ALA A 9 -7.235 7.845 -2.396 1.00 0.19 C ATOM 122 O ALA A 9 -7.453 7.307 -3.478 1.00 0.20 O ATOM 123 CB ALA A 9 -4.751 7.930 -2.644 1.00 0.22 C ATOM 0 H ALA A 9 -5.791 5.574 -1.817 1.00 0.16 H new ATOM 0 HA ALA A 9 -5.861 8.385 -0.872 1.00 0.19 H new ATOM 0 HB1 ALA A 9 -4.847 8.933 -3.060 1.00 0.22 H new ATOM 0 HB2 ALA A 9 -3.807 7.850 -2.106 1.00 0.22 H new ATOM 0 HB3 ALA A 9 -4.771 7.198 -3.452 1.00 0.22 H new ATOM 129 N VAL A 10 -8.125 8.602 -1.787 1.00 0.22 N ATOM 130 CA VAL A 10 -9.454 8.784 -2.338 1.00 0.23 C ATOM 131 C VAL A 10 -9.477 9.864 -3.414 1.00 0.27 C ATOM 132 O VAL A 10 -8.954 10.963 -3.229 1.00 0.33 O ATOM 133 CB VAL A 10 -10.483 9.129 -1.248 1.00 0.25 C ATOM 134 CG1 VAL A 10 -11.845 9.392 -1.870 1.00 0.29 C ATOM 135 CG2 VAL A 10 -10.564 8.007 -0.223 1.00 0.27 C ATOM 0 H VAL A 10 -7.954 9.100 -0.913 1.00 0.22 H new ATOM 0 HA VAL A 10 -9.728 7.831 -2.790 1.00 0.23 H new ATOM 0 HB VAL A 10 -10.161 10.036 -0.737 1.00 0.25 H new ATOM 0 HG11 VAL A 10 -12.562 9.635 -1.086 1.00 0.29 H new ATOM 0 HG12 VAL A 10 -11.772 10.227 -2.566 1.00 0.29 H new ATOM 0 HG13 VAL A 10 -12.179 8.503 -2.404 1.00 0.29 H new ATOM 0 HG21 VAL A 10 -11.296 8.265 0.542 1.00 0.27 H new ATOM 0 HG22 VAL A 10 -10.866 7.084 -0.717 1.00 0.27 H new ATOM 0 HG23 VAL A 10 -9.588 7.867 0.241 1.00 0.27 H new ATOM 145 N SER A 11 -10.087 9.526 -4.535 1.00 0.29 N ATOM 146 CA SER A 11 -10.299 10.457 -5.623 1.00 0.36 C ATOM 147 C SER A 11 -11.793 10.536 -5.932 1.00 0.45 C ATOM 148 O SER A 11 -12.590 9.846 -5.291 1.00 0.63 O ATOM 149 CB SER A 11 -9.500 10.024 -6.855 1.00 0.45 C ATOM 150 OG SER A 11 -9.704 8.648 -7.141 1.00 1.22 O ATOM 0 H SER A 11 -10.451 8.590 -4.715 1.00 0.29 H new ATOM 0 HA SER A 11 -9.948 11.448 -5.334 1.00 0.36 H new ATOM 0 HB2 SER A 11 -9.797 10.625 -7.714 1.00 0.45 H new ATOM 0 HB3 SER A 11 -8.439 10.210 -6.688 1.00 0.45 H new ATOM 0 HG SER A 11 -10.488 8.325 -6.650 1.00 1.22 H new ATOM 156 N GLY A 12 -12.171 11.378 -6.882 1.00 0.45 N ATOM 157 CA GLY A 12 -13.575 11.545 -7.223 1.00 0.54 C ATOM 158 C GLY A 12 -14.245 10.250 -7.657 1.00 0.49 C ATOM 159 O GLY A 12 -14.079 9.805 -8.794 1.00 0.61 O ATOM 0 H GLY A 12 -11.529 11.953 -7.428 1.00 0.45 H new ATOM 0 HA2 GLY A 12 -14.106 11.950 -6.361 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -13.663 12.278 -8.025 1.00 0.54 H new ATOM 163 N GLY A 13 -14.980 9.633 -6.738 1.00 0.45 N ATOM 164 CA GLY A 13 -15.754 8.449 -7.062 1.00 0.48 C ATOM 165 C GLY A 13 -14.971 7.158 -6.915 1.00 0.41 C ATOM 166 O GLY A 13 -15.553 6.072 -6.869 1.00 0.45 O ATOM 0 H GLY A 13 -15.053 9.935 -5.767 1.00 0.45 H new ATOM 0 HA2 GLY A 13 -16.631 8.409 -6.416 1.00 0.48 H new ATOM 0 HA3 GLY A 13 -16.117 8.530 -8.087 1.00 0.48 H new ATOM 170 N HIS A 14 -13.652 7.259 -6.828 1.00 0.34 N ATOM 171 CA HIS A 14 -12.801 6.076 -6.777 1.00 0.31 C ATOM 172 C HIS A 14 -11.726 6.243 -5.718 1.00 0.30 C ATOM 173 O HIS A 14 -11.301 7.354 -5.433 1.00 0.43 O ATOM 174 CB HIS A 14 -12.141 5.814 -8.136 1.00 0.34 C ATOM 175 CG HIS A 14 -13.106 5.541 -9.248 1.00 0.79 C ATOM 176 ND1 HIS A 14 -13.527 4.274 -9.591 1.00 1.56 N ATOM 177 CD2 HIS A 14 -13.734 6.386 -10.099 1.00 1.57 C ATOM 178 CE1 HIS A 14 -14.370 4.354 -10.604 1.00 1.85 C ATOM 179 NE2 HIS A 14 -14.511 5.622 -10.931 1.00 1.82 N ATOM 0 H HIS A 14 -13.148 8.145 -6.791 1.00 0.34 H new ATOM 0 HA HIS A 14 -13.431 5.224 -6.523 1.00 0.31 H new ATOM 0 HB2 HIS A 14 -11.532 6.677 -8.403 1.00 0.34 H new ATOM 0 HB3 HIS A 14 -11.465 4.964 -8.041 1.00 0.34 H new ATOM 0 HD2 HIS A 14 -13.640 7.462 -10.119 1.00 1.57 H new ATOM 0 HE1 HIS A 14 -14.861 3.520 -11.084 1.00 1.85 H new ATOM 0 HE2 HIS A 14 -15.103 5.978 -11.682 1.00 1.82 H new ATOM 188 N VAL A 15 -11.291 5.147 -5.138 1.00 0.23 N ATOM 189 CA VAL A 15 -10.240 5.190 -4.141 1.00 0.20 C ATOM 190 C VAL A 15 -9.033 4.384 -4.615 1.00 0.18 C ATOM 191 O VAL A 15 -9.135 3.194 -4.876 1.00 0.17 O ATOM 192 CB VAL A 15 -10.742 4.700 -2.753 1.00 0.18 C ATOM 193 CG1 VAL A 15 -11.425 3.338 -2.834 1.00 0.18 C ATOM 194 CG2 VAL A 15 -9.600 4.665 -1.746 1.00 0.17 C ATOM 0 H VAL A 15 -11.648 4.213 -5.338 1.00 0.23 H new ATOM 0 HA VAL A 15 -9.934 6.228 -4.015 1.00 0.20 H new ATOM 0 HB VAL A 15 -11.489 5.418 -2.413 1.00 0.18 H new ATOM 0 HG11 VAL A 15 -11.758 3.038 -1.840 1.00 0.18 H new ATOM 0 HG12 VAL A 15 -12.285 3.401 -3.501 1.00 0.18 H new ATOM 0 HG13 VAL A 15 -10.721 2.600 -3.218 1.00 0.18 H new ATOM 0 HG21 VAL A 15 -9.975 4.319 -0.783 1.00 0.17 H new ATOM 0 HG22 VAL A 15 -8.825 3.985 -2.099 1.00 0.17 H new ATOM 0 HG23 VAL A 15 -9.182 5.666 -1.635 1.00 0.17 H new ATOM 204 N THR A 16 -7.900 5.047 -4.744 1.00 0.17 N ATOM 205 CA THR A 16 -6.680 4.402 -5.195 1.00 0.16 C ATOM 206 C THR A 16 -5.863 3.978 -3.991 1.00 0.14 C ATOM 207 O THR A 16 -5.436 4.806 -3.198 1.00 0.15 O ATOM 208 CB THR A 16 -5.836 5.356 -6.066 1.00 0.20 C ATOM 209 OG1 THR A 16 -6.512 5.635 -7.298 1.00 0.24 O ATOM 210 CG2 THR A 16 -4.459 4.772 -6.346 1.00 0.19 C ATOM 0 H THR A 16 -7.798 6.041 -4.541 1.00 0.17 H new ATOM 0 HA THR A 16 -6.953 3.534 -5.795 1.00 0.16 H new ATOM 0 HB THR A 16 -5.705 6.286 -5.513 1.00 0.20 H new ATOM 0 HG1 THR A 16 -5.967 6.243 -7.840 1.00 0.24 H new ATOM 0 HG21 THR A 16 -3.888 5.467 -6.962 1.00 0.19 H new ATOM 0 HG22 THR A 16 -3.936 4.607 -5.404 1.00 0.19 H new ATOM 0 HG23 THR A 16 -4.566 3.824 -6.873 1.00 0.19 H new ATOM 218 N LEU A 17 -5.648 2.692 -3.850 1.00 0.12 N ATOM 219 CA LEU A 17 -5.002 2.181 -2.667 1.00 0.10 C ATOM 220 C LEU A 17 -3.642 1.593 -3.003 1.00 0.13 C ATOM 221 O LEU A 17 -3.511 0.821 -3.952 1.00 0.17 O ATOM 222 CB LEU A 17 -5.897 1.151 -2.019 1.00 0.11 C ATOM 223 CG LEU A 17 -5.818 1.118 -0.506 1.00 0.10 C ATOM 224 CD1 LEU A 17 -7.200 0.921 0.071 1.00 0.10 C ATOM 225 CD2 LEU A 17 -4.862 0.038 -0.043 1.00 0.11 C ATOM 0 H LEU A 17 -5.910 1.984 -4.536 1.00 0.12 H new ATOM 0 HA LEU A 17 -4.836 2.999 -1.966 1.00 0.10 H new ATOM 0 HB2 LEU A 17 -6.928 1.347 -2.313 1.00 0.11 H new ATOM 0 HB3 LEU A 17 -5.637 0.166 -2.406 1.00 0.11 H new ATOM 0 HG LEU A 17 -5.429 2.070 -0.146 1.00 0.10 H new ATOM 0 HD11 LEU A 17 -7.140 0.898 1.159 1.00 0.10 H new ATOM 0 HD12 LEU A 17 -7.844 1.743 -0.239 1.00 0.10 H new ATOM 0 HD13 LEU A 17 -7.614 -0.020 -0.290 1.00 0.10 H new ATOM 0 HD21 LEU A 17 -4.820 0.032 1.046 1.00 0.11 H new ATOM 0 HD22 LEU A 17 -5.209 -0.932 -0.399 1.00 0.11 H new ATOM 0 HD23 LEU A 17 -3.868 0.236 -0.443 1.00 0.11 H new ATOM 237 N GLN A 18 -2.636 1.997 -2.236 1.00 0.15 N ATOM 238 CA GLN A 18 -1.265 1.559 -2.437 1.00 0.19 C ATOM 239 C GLN A 18 -0.435 1.861 -1.189 1.00 0.24 C ATOM 240 O GLN A 18 -0.679 2.852 -0.507 1.00 0.51 O ATOM 241 CB GLN A 18 -0.664 2.239 -3.670 1.00 0.32 C ATOM 242 CG GLN A 18 -1.121 3.678 -3.876 1.00 0.78 C ATOM 243 CD GLN A 18 -0.482 4.332 -5.089 1.00 1.03 C ATOM 244 OE1 GLN A 18 -0.299 5.547 -5.126 1.00 1.58 O ATOM 245 NE2 GLN A 18 -0.128 3.532 -6.083 1.00 1.77 N ATOM 0 H GLN A 18 -2.752 2.641 -1.454 1.00 0.15 H new ATOM 0 HA GLN A 18 -1.256 0.482 -2.607 1.00 0.19 H new ATOM 0 HB2 GLN A 18 0.423 2.223 -3.586 1.00 0.32 H new ATOM 0 HB3 GLN A 18 -0.924 1.657 -4.554 1.00 0.32 H new ATOM 0 HG2 GLN A 18 -2.205 3.697 -3.988 1.00 0.78 H new ATOM 0 HG3 GLN A 18 -0.882 4.261 -2.987 1.00 0.78 H new ATOM 0 HE21 GLN A 18 -0.297 2.528 -6.015 1.00 1.77 H new ATOM 0 HE22 GLN A 18 0.313 3.919 -6.917 1.00 1.77 H new ATOM 254 N GLY A 19 0.543 1.014 -0.895 1.00 0.17 N ATOM 255 CA GLY A 19 1.318 1.160 0.330 1.00 0.18 C ATOM 256 C GLY A 19 2.575 1.994 0.132 1.00 0.18 C ATOM 257 O GLY A 19 3.315 1.777 -0.822 1.00 0.19 O ATOM 0 H GLY A 19 0.817 0.226 -1.482 1.00 0.17 H new ATOM 0 HA2 GLY A 19 0.696 1.623 1.096 1.00 0.18 H new ATOM 0 HA3 GLY A 19 1.596 0.173 0.699 1.00 0.18 H new ATOM 261 N VAL A 20 2.825 2.945 1.029 1.00 0.17 N ATOM 262 CA VAL A 20 3.986 3.820 0.904 1.00 0.18 C ATOM 263 C VAL A 20 5.235 3.208 1.511 1.00 0.21 C ATOM 264 O VAL A 20 5.388 3.085 2.719 1.00 0.45 O ATOM 265 CB VAL A 20 3.724 5.210 1.513 1.00 0.19 C ATOM 266 CG1 VAL A 20 5.012 5.926 1.890 1.00 0.24 C ATOM 267 CG2 VAL A 20 2.929 6.061 0.541 1.00 0.20 C ATOM 0 H VAL A 20 2.242 3.128 1.846 1.00 0.17 H new ATOM 0 HA VAL A 20 4.159 3.942 -0.165 1.00 0.18 H new ATOM 0 HB VAL A 20 3.152 5.060 2.429 1.00 0.19 H new ATOM 0 HG11 VAL A 20 4.775 6.901 2.315 1.00 0.24 H new ATOM 0 HG12 VAL A 20 5.556 5.333 2.625 1.00 0.24 H new ATOM 0 HG13 VAL A 20 5.629 6.058 1.001 1.00 0.24 H new ATOM 0 HG21 VAL A 20 2.748 7.042 0.980 1.00 0.20 H new ATOM 0 HG22 VAL A 20 3.491 6.176 -0.386 1.00 0.20 H new ATOM 0 HG23 VAL A 20 1.976 5.577 0.329 1.00 0.20 H new ATOM 277 N ILE A 21 6.126 2.845 0.636 1.00 0.13 N ATOM 278 CA ILE A 21 7.420 2.327 0.995 1.00 0.11 C ATOM 279 C ILE A 21 8.425 3.453 1.095 1.00 0.13 C ATOM 280 O ILE A 21 8.833 4.025 0.095 1.00 0.14 O ATOM 281 CB ILE A 21 7.882 1.305 -0.055 1.00 0.10 C ATOM 282 CG1 ILE A 21 7.335 -0.057 0.291 1.00 0.10 C ATOM 283 CG2 ILE A 21 9.396 1.242 -0.190 1.00 0.10 C ATOM 284 CD1 ILE A 21 7.484 -1.015 -0.843 1.00 0.10 C ATOM 0 H ILE A 21 5.973 2.901 -0.371 1.00 0.13 H new ATOM 0 HA ILE A 21 7.346 1.836 1.965 1.00 0.11 H new ATOM 0 HB ILE A 21 7.494 1.632 -1.020 1.00 0.10 H new ATOM 0 HG12 ILE A 21 7.854 -0.446 1.167 1.00 0.10 H new ATOM 0 HG13 ILE A 21 6.282 0.031 0.558 1.00 0.10 H new ATOM 0 HG21 ILE A 21 9.663 0.503 -0.946 1.00 0.10 H new ATOM 0 HG22 ILE A 21 9.776 2.219 -0.488 1.00 0.10 H new ATOM 0 HG23 ILE A 21 9.835 0.958 0.766 1.00 0.10 H new ATOM 0 HD11 ILE A 21 7.079 -1.985 -0.555 1.00 0.10 H new ATOM 0 HD12 ILE A 21 6.943 -0.638 -1.711 1.00 0.10 H new ATOM 0 HD13 ILE A 21 8.540 -1.122 -1.092 1.00 0.10 H new ATOM 296 N THR A 22 8.802 3.809 2.292 1.00 0.13 N ATOM 297 CA THR A 22 9.919 4.701 2.434 1.00 0.14 C ATOM 298 C THR A 22 11.170 3.869 2.354 1.00 0.14 C ATOM 299 O THR A 22 11.278 2.857 3.013 1.00 0.18 O ATOM 300 CB THR A 22 9.903 5.465 3.754 1.00 0.16 C ATOM 301 OG1 THR A 22 8.585 5.975 4.007 1.00 0.20 O ATOM 302 CG2 THR A 22 10.892 6.612 3.686 1.00 0.17 C ATOM 0 H THR A 22 8.366 3.505 3.162 1.00 0.13 H new ATOM 0 HA THR A 22 9.871 5.448 1.642 1.00 0.14 H new ATOM 0 HB THR A 22 10.184 4.791 4.563 1.00 0.16 H new ATOM 0 HG1 THR A 22 8.310 5.733 4.916 1.00 0.20 H new ATOM 0 HG21 THR A 22 10.881 7.158 4.629 1.00 0.17 H new ATOM 0 HG22 THR A 22 11.893 6.219 3.506 1.00 0.17 H new ATOM 0 HG23 THR A 22 10.614 7.284 2.874 1.00 0.17 H new ATOM 310 N ALA A 23 12.105 4.261 1.549 1.00 0.12 N ATOM 311 CA ALA A 23 13.282 3.455 1.385 1.00 0.12 C ATOM 312 C ALA A 23 14.490 4.259 1.757 1.00 0.14 C ATOM 313 O ALA A 23 14.721 5.301 1.190 1.00 0.16 O ATOM 314 CB ALA A 23 13.370 2.978 -0.042 1.00 0.11 C ATOM 0 H ALA A 23 12.083 5.120 1.000 1.00 0.12 H new ATOM 0 HA ALA A 23 13.232 2.583 2.037 1.00 0.12 H new ATOM 0 HB1 ALA A 23 14.263 2.366 -0.167 1.00 0.11 H new ATOM 0 HB2 ALA A 23 12.488 2.385 -0.282 1.00 0.11 H new ATOM 0 HB3 ALA A 23 13.423 3.837 -0.710 1.00 0.11 H new ATOM 320 N VAL A 24 15.254 3.784 2.717 1.00 0.16 N ATOM 321 CA VAL A 24 16.365 4.562 3.236 1.00 0.18 C ATOM 322 C VAL A 24 17.525 4.620 2.240 1.00 0.20 C ATOM 323 O VAL A 24 18.500 5.347 2.440 1.00 0.25 O ATOM 324 CB VAL A 24 16.853 4.005 4.588 1.00 0.22 C ATOM 325 CG1 VAL A 24 18.008 4.828 5.134 1.00 0.25 C ATOM 326 CG2 VAL A 24 15.701 3.978 5.576 1.00 0.23 C ATOM 0 H VAL A 24 15.130 2.870 3.153 1.00 0.16 H new ATOM 0 HA VAL A 24 15.999 5.577 3.391 1.00 0.18 H new ATOM 0 HB VAL A 24 17.215 2.988 4.435 1.00 0.22 H new ATOM 0 HG11 VAL A 24 18.332 4.412 6.088 1.00 0.25 H new ATOM 0 HG12 VAL A 24 18.838 4.804 4.428 1.00 0.25 H new ATOM 0 HG13 VAL A 24 17.684 5.859 5.278 1.00 0.25 H new ATOM 0 HG21 VAL A 24 16.050 3.584 6.531 1.00 0.23 H new ATOM 0 HG22 VAL A 24 15.320 4.989 5.718 1.00 0.23 H new ATOM 0 HG23 VAL A 24 14.905 3.342 5.189 1.00 0.23 H new ATOM 336 N ARG A 25 17.413 3.886 1.143 1.00 0.21 N ATOM 337 CA ARG A 25 18.475 3.862 0.158 1.00 0.24 C ATOM 338 C ARG A 25 17.940 4.086 -1.252 1.00 0.23 C ATOM 339 O ARG A 25 16.903 3.540 -1.626 1.00 0.26 O ATOM 340 CB ARG A 25 19.222 2.548 0.245 1.00 0.33 C ATOM 341 CG ARG A 25 19.981 2.400 1.540 1.00 0.40 C ATOM 342 CD ARG A 25 21.262 3.196 1.508 1.00 0.73 C ATOM 343 NE ARG A 25 22.096 2.939 2.676 1.00 0.80 N ATOM 344 CZ ARG A 25 23.058 3.756 3.099 1.00 1.41 C ATOM 345 NH1 ARG A 25 23.275 4.913 2.486 1.00 2.18 N ATOM 346 NH2 ARG A 25 23.797 3.421 4.148 1.00 1.42 N ATOM 0 H ARG A 25 16.605 3.306 0.917 1.00 0.21 H new ATOM 0 HA ARG A 25 19.161 4.680 0.376 1.00 0.24 H new ATOM 0 HB2 ARG A 25 18.515 1.724 0.146 1.00 0.33 H new ATOM 0 HB3 ARG A 25 19.918 2.473 -0.591 1.00 0.33 H new ATOM 0 HG2 ARG A 25 19.360 2.736 2.370 1.00 0.40 H new ATOM 0 HG3 ARG A 25 20.206 1.348 1.716 1.00 0.40 H new ATOM 0 HD2 ARG A 25 21.819 2.950 0.604 1.00 0.73 H new ATOM 0 HD3 ARG A 25 21.027 4.259 1.458 1.00 0.73 H new ATOM 0 HE ARG A 25 21.932 2.080 3.201 1.00 0.80 H new ATOM 0 HH11 ARG A 25 22.703 5.181 1.685 1.00 2.18 H new ATOM 0 HH12 ARG A 25 24.014 5.534 2.816 1.00 2.18 H new ATOM 0 HH21 ARG A 25 23.628 2.538 4.630 1.00 1.42 H new ATOM 0 HH22 ARG A 25 24.534 4.046 4.473 1.00 1.42 H new ATOM 360 N ASP A 26 18.650 4.913 -2.016 1.00 0.23 N ATOM 361 CA ASP A 26 18.271 5.229 -3.384 1.00 0.25 C ATOM 362 C ASP A 26 18.695 4.114 -4.327 1.00 0.24 C ATOM 363 O ASP A 26 19.685 3.419 -4.084 1.00 0.32 O ATOM 364 CB ASP A 26 18.898 6.558 -3.829 1.00 0.31 C ATOM 365 CG ASP A 26 20.406 6.482 -3.991 1.00 0.78 C ATOM 366 OD1 ASP A 26 21.129 6.658 -2.987 1.00 0.73 O ATOM 367 OD2 ASP A 26 20.877 6.233 -5.120 1.00 1.54 O ATOM 0 H ASP A 26 19.501 5.380 -1.702 1.00 0.23 H new ATOM 0 HA ASP A 26 17.186 5.326 -3.419 1.00 0.25 H new ATOM 0 HB2 ASP A 26 18.452 6.864 -4.775 1.00 0.31 H new ATOM 0 HB3 ASP A 26 18.656 7.330 -3.098 1.00 0.31 H new ATOM 372 N GLY A 27 17.933 3.940 -5.388 1.00 0.24 N ATOM 373 CA GLY A 27 18.198 2.893 -6.339 1.00 0.26 C ATOM 374 C GLY A 27 16.931 2.144 -6.661 1.00 0.21 C ATOM 375 O GLY A 27 15.938 2.749 -7.057 1.00 0.23 O ATOM 0 H GLY A 27 17.122 4.517 -5.609 1.00 0.24 H new ATOM 0 HA2 GLY A 27 18.618 3.318 -7.250 1.00 0.26 H new ATOM 0 HA3 GLY A 27 18.942 2.206 -5.935 1.00 0.26 H new ATOM 379 N ALA A 28 16.943 0.844 -6.459 1.00 0.19 N ATOM 380 CA ALA A 28 15.759 0.036 -6.696 1.00 0.18 C ATOM 381 C ALA A 28 15.669 -1.090 -5.678 1.00 0.24 C ATOM 382 O ALA A 28 16.676 -1.490 -5.093 1.00 0.45 O ATOM 383 CB ALA A 28 15.767 -0.518 -8.111 1.00 0.21 C ATOM 0 H ALA A 28 17.756 0.322 -6.132 1.00 0.19 H new ATOM 0 HA ALA A 28 14.880 0.670 -6.582 1.00 0.18 H new ATOM 0 HB1 ALA A 28 14.873 -1.121 -8.271 1.00 0.21 H new ATOM 0 HB2 ALA A 28 15.781 0.306 -8.824 1.00 0.21 H new ATOM 0 HB3 ALA A 28 16.652 -1.137 -8.254 1.00 0.21 H new ATOM 389 N GLY A 29 14.464 -1.588 -5.465 1.00 0.15 N ATOM 390 CA GLY A 29 14.256 -2.666 -4.535 1.00 0.19 C ATOM 391 C GLY A 29 13.073 -3.504 -4.944 1.00 0.17 C ATOM 392 O GLY A 29 12.424 -3.214 -5.948 1.00 0.21 O ATOM 0 H GLY A 29 13.617 -1.257 -5.928 1.00 0.15 H new ATOM 0 HA2 GLY A 29 15.149 -3.289 -4.487 1.00 0.19 H new ATOM 0 HA3 GLY A 29 14.094 -2.264 -3.535 1.00 0.19 H new ATOM 396 N SER A 30 12.771 -4.521 -4.166 1.00 0.15 N ATOM 397 CA SER A 30 11.667 -5.405 -4.491 1.00 0.15 C ATOM 398 C SER A 30 10.721 -5.543 -3.311 1.00 0.13 C ATOM 399 O SER A 30 11.151 -5.664 -2.162 1.00 0.14 O ATOM 400 CB SER A 30 12.186 -6.772 -4.934 1.00 0.20 C ATOM 401 OG SER A 30 13.114 -7.303 -4.001 1.00 0.23 O ATOM 0 H SER A 30 13.270 -4.757 -3.308 1.00 0.15 H new ATOM 0 HA SER A 30 11.111 -4.966 -5.319 1.00 0.15 H new ATOM 0 HB2 SER A 30 11.349 -7.461 -5.048 1.00 0.20 H new ATOM 0 HB3 SER A 30 12.661 -6.683 -5.911 1.00 0.20 H new ATOM 0 HG SER A 30 12.646 -7.542 -3.174 1.00 0.23 H new ATOM 407 N TYR A 31 9.433 -5.518 -3.608 1.00 0.13 N ATOM 408 CA TYR A 31 8.399 -5.546 -2.588 1.00 0.11 C ATOM 409 C TYR A 31 7.087 -6.088 -3.157 1.00 0.13 C ATOM 410 O TYR A 31 6.889 -6.120 -4.372 1.00 0.18 O ATOM 411 CB TYR A 31 8.208 -4.152 -1.996 1.00 0.10 C ATOM 412 CG TYR A 31 8.848 -3.027 -2.788 1.00 0.09 C ATOM 413 CD1 TYR A 31 8.259 -2.576 -3.956 1.00 0.11 C ATOM 414 CD2 TYR A 31 10.025 -2.399 -2.356 1.00 0.08 C ATOM 415 CE1 TYR A 31 8.808 -1.542 -4.677 1.00 0.12 C ATOM 416 CE2 TYR A 31 10.577 -1.352 -3.077 1.00 0.09 C ATOM 417 CZ TYR A 31 9.965 -0.931 -4.235 1.00 0.11 C ATOM 418 OH TYR A 31 10.508 0.112 -4.948 1.00 0.13 O ATOM 0 H TYR A 31 9.075 -5.478 -4.562 1.00 0.13 H new ATOM 0 HA TYR A 31 8.714 -6.218 -1.790 1.00 0.11 H new ATOM 0 HB2 TYR A 31 7.140 -3.953 -1.909 1.00 0.10 H new ATOM 0 HB3 TYR A 31 8.617 -4.143 -0.986 1.00 0.10 H new ATOM 0 HD1 TYR A 31 7.352 -3.045 -4.308 1.00 0.11 H new ATOM 0 HD2 TYR A 31 10.507 -2.735 -1.450 1.00 0.08 H new ATOM 0 HE1 TYR A 31 8.335 -1.208 -5.588 1.00 0.12 H new ATOM 0 HE2 TYR A 31 11.480 -0.870 -2.733 1.00 0.09 H new ATOM 0 HH TYR A 31 11.462 -0.055 -5.096 1.00 0.13 H new ATOM 428 N LYS A 32 6.208 -6.528 -2.267 1.00 0.13 N ATOM 429 CA LYS A 32 4.943 -7.147 -2.651 1.00 0.14 C ATOM 430 C LYS A 32 3.772 -6.526 -1.898 1.00 0.14 C ATOM 431 O LYS A 32 3.628 -6.717 -0.690 1.00 0.13 O ATOM 432 CB LYS A 32 4.980 -8.649 -2.359 1.00 0.16 C ATOM 433 CG LYS A 32 5.790 -9.016 -1.131 1.00 0.17 C ATOM 434 CD LYS A 32 7.189 -9.499 -1.496 1.00 0.25 C ATOM 435 CE LYS A 32 7.144 -10.800 -2.286 1.00 0.40 C ATOM 436 NZ LYS A 32 8.503 -11.331 -2.575 1.00 1.26 N ATOM 0 H LYS A 32 6.350 -6.467 -1.259 1.00 0.13 H new ATOM 0 HA LYS A 32 4.805 -6.978 -3.719 1.00 0.14 H new ATOM 0 HB2 LYS A 32 3.959 -9.009 -2.230 1.00 0.16 H new ATOM 0 HB3 LYS A 32 5.394 -9.167 -3.224 1.00 0.16 H new ATOM 0 HG2 LYS A 32 5.865 -8.150 -0.474 1.00 0.17 H new ATOM 0 HG3 LYS A 32 5.271 -9.795 -0.573 1.00 0.17 H new ATOM 0 HD2 LYS A 32 7.697 -8.734 -2.083 1.00 0.25 H new ATOM 0 HD3 LYS A 32 7.773 -9.644 -0.587 1.00 0.25 H new ATOM 0 HE2 LYS A 32 6.577 -11.544 -1.726 1.00 0.40 H new ATOM 0 HE3 LYS A 32 6.614 -10.635 -3.224 1.00 0.40 H new ATOM 0 HZ1 LYS A 32 8.422 -12.217 -3.114 1.00 1.26 H new ATOM 0 HZ2 LYS A 32 9.037 -10.634 -3.132 1.00 1.26 H new ATOM 0 HZ3 LYS A 32 9.002 -11.514 -1.681 1.00 1.26 H new ATOM 450 N LEU A 33 2.922 -5.812 -2.611 1.00 0.17 N ATOM 451 CA LEU A 33 1.767 -5.188 -1.994 1.00 0.17 C ATOM 452 C LEU A 33 0.508 -5.983 -2.311 1.00 0.19 C ATOM 453 O LEU A 33 0.188 -6.246 -3.470 1.00 0.27 O ATOM 454 CB LEU A 33 1.633 -3.720 -2.446 1.00 0.22 C ATOM 455 CG LEU A 33 0.451 -2.921 -1.857 1.00 0.25 C ATOM 456 CD1 LEU A 33 -0.831 -3.216 -2.606 1.00 0.55 C ATOM 457 CD2 LEU A 33 0.264 -3.218 -0.373 1.00 0.49 C ATOM 0 H LEU A 33 3.009 -5.650 -3.614 1.00 0.17 H new ATOM 0 HA LEU A 33 1.904 -5.188 -0.913 1.00 0.17 H new ATOM 0 HB2 LEU A 33 2.556 -3.200 -2.192 1.00 0.22 H new ATOM 0 HB3 LEU A 33 1.547 -3.704 -3.532 1.00 0.22 H new ATOM 0 HG LEU A 33 0.689 -1.863 -1.970 1.00 0.25 H new ATOM 0 HD11 LEU A 33 -1.648 -2.640 -2.171 1.00 0.55 H new ATOM 0 HD12 LEU A 33 -0.712 -2.941 -3.654 1.00 0.55 H new ATOM 0 HD13 LEU A 33 -1.058 -4.280 -2.534 1.00 0.55 H new ATOM 0 HD21 LEU A 33 -0.576 -2.639 0.011 1.00 0.49 H new ATOM 0 HD22 LEU A 33 0.065 -4.281 -0.237 1.00 0.49 H new ATOM 0 HD23 LEU A 33 1.170 -2.946 0.169 1.00 0.49 H new ATOM 469 N ALA A 34 -0.186 -6.376 -1.264 1.00 0.16 N ATOM 470 CA ALA A 34 -1.468 -7.038 -1.401 1.00 0.19 C ATOM 471 C ALA A 34 -2.564 -6.174 -0.799 1.00 0.18 C ATOM 472 O ALA A 34 -2.417 -5.663 0.309 1.00 0.25 O ATOM 473 CB ALA A 34 -1.443 -8.401 -0.726 1.00 0.25 C ATOM 0 H ALA A 34 0.119 -6.247 -0.299 1.00 0.16 H new ATOM 0 HA ALA A 34 -1.672 -7.185 -2.462 1.00 0.19 H new ATOM 0 HB1 ALA A 34 -2.415 -8.881 -0.840 1.00 0.25 H new ATOM 0 HB2 ALA A 34 -0.675 -9.022 -1.188 1.00 0.25 H new ATOM 0 HB3 ALA A 34 -1.221 -8.278 0.334 1.00 0.25 H new ATOM 479 N VAL A 35 -3.650 -5.992 -1.525 1.00 0.16 N ATOM 480 CA VAL A 35 -4.777 -5.235 -1.009 1.00 0.14 C ATOM 481 C VAL A 35 -5.908 -6.193 -0.676 1.00 0.16 C ATOM 482 O VAL A 35 -6.081 -7.213 -1.337 1.00 0.23 O ATOM 483 CB VAL A 35 -5.274 -4.154 -2.002 1.00 0.16 C ATOM 484 CG1 VAL A 35 -6.328 -3.269 -1.357 1.00 0.13 C ATOM 485 CG2 VAL A 35 -4.119 -3.307 -2.496 1.00 0.21 C ATOM 0 H VAL A 35 -3.777 -6.355 -2.470 1.00 0.16 H new ATOM 0 HA VAL A 35 -4.443 -4.711 -0.113 1.00 0.14 H new ATOM 0 HB VAL A 35 -5.723 -4.665 -2.854 1.00 0.16 H new ATOM 0 HG11 VAL A 35 -6.661 -2.518 -2.074 1.00 0.13 H new ATOM 0 HG12 VAL A 35 -7.177 -3.879 -1.050 1.00 0.13 H new ATOM 0 HG13 VAL A 35 -5.903 -2.774 -0.484 1.00 0.13 H new ATOM 0 HG21 VAL A 35 -4.491 -2.555 -3.192 1.00 0.21 H new ATOM 0 HG22 VAL A 35 -3.641 -2.814 -1.649 1.00 0.21 H new ATOM 0 HG23 VAL A 35 -3.393 -3.942 -3.003 1.00 0.21 H new ATOM 495 N ASP A 36 -6.656 -5.883 0.359 1.00 0.19 N ATOM 496 CA ASP A 36 -7.727 -6.748 0.804 1.00 0.24 C ATOM 497 C ASP A 36 -8.987 -5.939 1.043 1.00 0.25 C ATOM 498 O ASP A 36 -9.034 -5.094 1.937 1.00 0.31 O ATOM 499 CB ASP A 36 -7.314 -7.465 2.083 1.00 0.33 C ATOM 500 CG ASP A 36 -8.349 -8.461 2.537 1.00 1.05 C ATOM 501 OD1 ASP A 36 -8.578 -9.460 1.822 1.00 1.52 O ATOM 502 OD2 ASP A 36 -8.954 -8.244 3.600 1.00 1.67 O ATOM 0 H ASP A 36 -6.542 -5.033 0.912 1.00 0.19 H new ATOM 0 HA ASP A 36 -7.929 -7.489 0.031 1.00 0.24 H new ATOM 0 HB2 ASP A 36 -6.366 -7.978 1.920 1.00 0.33 H new ATOM 0 HB3 ASP A 36 -7.148 -6.731 2.872 1.00 0.33 H new ATOM 507 N LYS A 37 -10.006 -6.191 0.249 1.00 0.28 N ATOM 508 CA LYS A 37 -11.229 -5.416 0.339 1.00 0.33 C ATOM 509 C LYS A 37 -12.308 -6.180 1.069 1.00 0.46 C ATOM 510 O LYS A 37 -12.299 -7.411 1.112 1.00 0.63 O ATOM 511 CB LYS A 37 -11.762 -5.038 -1.027 1.00 0.42 C ATOM 512 CG LYS A 37 -10.718 -4.494 -1.975 1.00 0.95 C ATOM 513 CD LYS A 37 -11.283 -4.249 -3.370 1.00 0.77 C ATOM 514 CE LYS A 37 -11.953 -5.485 -3.948 1.00 1.13 C ATOM 515 NZ LYS A 37 -12.511 -5.239 -5.301 1.00 1.34 N ATOM 0 H LYS A 37 -10.014 -6.922 -0.463 1.00 0.28 H new ATOM 0 HA LYS A 37 -10.973 -4.511 0.890 1.00 0.33 H new ATOM 0 HB2 LYS A 37 -12.224 -5.916 -1.479 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -12.547 -4.292 -0.904 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -10.318 -3.561 -1.577 1.00 0.95 H new ATOM 0 HG3 LYS A 37 -9.886 -5.196 -2.039 1.00 0.95 H new ATOM 0 HD2 LYS A 37 -12.005 -3.433 -3.329 1.00 0.77 H new ATOM 0 HD3 LYS A 37 -10.479 -3.930 -4.034 1.00 0.77 H new ATOM 0 HE2 LYS A 37 -11.230 -6.299 -3.998 1.00 1.13 H new ATOM 0 HE3 LYS A 37 -12.752 -5.809 -3.281 1.00 1.13 H new ATOM 0 HZ1 LYS A 37 -12.958 -6.109 -5.656 1.00 1.34 H new ATOM 0 HZ2 LYS A 37 -13.221 -4.480 -5.251 1.00 1.34 H new ATOM 0 HZ3 LYS A 37 -11.746 -4.955 -5.946 1.00 1.34 H new ATOM 529 N ALA A 38 -13.225 -5.431 1.638 1.00 0.41 N ATOM 530 CA ALA A 38 -14.405 -5.990 2.262 1.00 0.52 C ATOM 531 C ALA A 38 -15.560 -5.009 2.130 1.00 0.47 C ATOM 532 O ALA A 38 -15.633 -4.008 2.844 1.00 0.43 O ATOM 533 CB ALA A 38 -14.124 -6.316 3.717 1.00 0.60 C ATOM 0 H ALA A 38 -13.174 -4.413 1.682 1.00 0.41 H new ATOM 0 HA ALA A 38 -14.679 -6.918 1.761 1.00 0.52 H new ATOM 0 HB1 ALA A 38 -15.019 -6.736 4.175 1.00 0.60 H new ATOM 0 HB2 ALA A 38 -13.312 -7.040 3.777 1.00 0.60 H new ATOM 0 HB3 ALA A 38 -13.839 -5.406 4.245 1.00 0.60 H new ATOM 539 N GLY A 39 -16.464 -5.315 1.218 1.00 0.57 N ATOM 540 CA GLY A 39 -17.540 -4.406 0.886 1.00 0.60 C ATOM 541 C GLY A 39 -18.844 -5.140 0.671 1.00 0.81 C ATOM 542 O GLY A 39 -19.001 -6.276 1.122 1.00 0.96 O ATOM 0 H GLY A 39 -16.472 -6.190 0.693 1.00 0.57 H new ATOM 0 HA2 GLY A 39 -17.661 -3.676 1.687 1.00 0.60 H new ATOM 0 HA3 GLY A 39 -17.282 -3.850 -0.015 1.00 0.60 H new ATOM 546 N ALA A 40 -19.781 -4.493 -0.005 1.00 0.90 N ATOM 547 CA ALA A 40 -21.070 -5.100 -0.317 1.00 1.14 C ATOM 548 C ALA A 40 -20.898 -6.345 -1.185 1.00 1.33 C ATOM 549 O ALA A 40 -21.706 -7.276 -1.128 1.00 1.57 O ATOM 550 CB ALA A 40 -21.967 -4.091 -1.007 1.00 1.24 C ATOM 0 H ALA A 40 -19.673 -3.540 -0.351 1.00 0.90 H new ATOM 0 HA ALA A 40 -21.538 -5.408 0.618 1.00 1.14 H new ATOM 0 HB1 ALA A 40 -22.927 -4.554 -1.236 1.00 1.24 H new ATOM 0 HB2 ALA A 40 -22.124 -3.235 -0.351 1.00 1.24 H new ATOM 0 HB3 ALA A 40 -21.496 -3.757 -1.931 1.00 1.24 H new ATOM 556 N ALA A 41 -19.831 -6.363 -1.975 1.00 1.28 N ATOM 557 CA ALA A 41 -19.518 -7.503 -2.828 1.00 1.49 C ATOM 558 C ALA A 41 -18.782 -8.593 -2.049 1.00 1.45 C ATOM 559 O ALA A 41 -18.419 -9.633 -2.603 1.00 1.72 O ATOM 560 CB ALA A 41 -18.689 -7.055 -4.021 1.00 1.58 C ATOM 0 H ALA A 41 -19.163 -5.595 -2.042 1.00 1.28 H new ATOM 0 HA ALA A 41 -20.457 -7.924 -3.187 1.00 1.49 H new ATOM 0 HB1 ALA A 41 -18.462 -7.916 -4.650 1.00 1.58 H new ATOM 0 HB2 ALA A 41 -19.250 -6.321 -4.599 1.00 1.58 H new ATOM 0 HB3 ALA A 41 -17.759 -6.607 -3.670 1.00 1.58 H new ATOM 566 N GLY A 42 -18.570 -8.354 -0.763 1.00 1.19 N ATOM 567 CA GLY A 42 -17.881 -9.318 0.068 1.00 1.21 C ATOM 568 C GLY A 42 -16.419 -8.980 0.231 1.00 1.01 C ATOM 569 O GLY A 42 -16.011 -7.839 0.005 1.00 0.86 O ATOM 0 H GLY A 42 -18.865 -7.506 -0.279 1.00 1.19 H new ATOM 0 HA2 GLY A 42 -18.356 -9.357 1.048 1.00 1.21 H new ATOM 0 HA3 GLY A 42 -17.977 -10.311 -0.372 1.00 1.21 H new ATOM 573 N THR A 43 -15.631 -9.963 0.627 1.00 1.03 N ATOM 574 CA THR A 43 -14.208 -9.773 0.797 1.00 0.88 C ATOM 575 C THR A 43 -13.467 -10.215 -0.462 1.00 0.82 C ATOM 576 O THR A 43 -13.758 -11.275 -1.017 1.00 0.92 O ATOM 577 CB THR A 43 -13.697 -10.569 2.010 1.00 0.97 C ATOM 578 OG1 THR A 43 -13.964 -11.966 1.829 1.00 1.14 O ATOM 579 CG2 THR A 43 -14.365 -10.092 3.290 1.00 1.00 C ATOM 0 H THR A 43 -15.958 -10.906 0.837 1.00 1.03 H new ATOM 0 HA THR A 43 -14.020 -8.714 0.971 1.00 0.88 H new ATOM 0 HB THR A 43 -12.622 -10.408 2.092 1.00 0.97 H new ATOM 0 HG1 THR A 43 -13.634 -12.465 2.605 1.00 1.14 H new ATOM 0 HG21 THR A 43 -13.988 -10.669 4.134 1.00 1.00 H new ATOM 0 HG22 THR A 43 -14.143 -9.036 3.445 1.00 1.00 H new ATOM 0 HG23 THR A 43 -15.444 -10.228 3.210 1.00 1.00 H new ATOM 587 N SER A 44 -12.522 -9.409 -0.914 1.00 0.73 N ATOM 588 CA SER A 44 -11.806 -9.695 -2.150 1.00 0.69 C ATOM 589 C SER A 44 -10.306 -9.496 -1.966 1.00 0.59 C ATOM 590 O SER A 44 -9.878 -8.571 -1.275 1.00 0.60 O ATOM 591 CB SER A 44 -12.326 -8.794 -3.264 1.00 0.72 C ATOM 592 OG SER A 44 -13.729 -8.938 -3.424 1.00 1.15 O ATOM 0 H SER A 44 -12.231 -8.551 -0.445 1.00 0.73 H new ATOM 0 HA SER A 44 -11.978 -10.737 -2.420 1.00 0.69 H new ATOM 0 HB2 SER A 44 -12.087 -7.755 -3.037 1.00 0.72 H new ATOM 0 HB3 SER A 44 -11.823 -9.039 -4.199 1.00 0.72 H new ATOM 0 HG SER A 44 -14.038 -8.349 -4.143 1.00 1.15 H new ATOM 598 N ARG A 45 -9.516 -10.353 -2.600 1.00 0.63 N ATOM 599 CA ARG A 45 -8.073 -10.359 -2.396 1.00 0.60 C ATOM 600 C ARG A 45 -7.354 -9.766 -3.613 1.00 0.51 C ATOM 601 O ARG A 45 -7.684 -10.099 -4.750 1.00 0.65 O ATOM 602 CB ARG A 45 -7.581 -11.779 -2.164 1.00 0.78 C ATOM 603 CG ARG A 45 -8.524 -12.616 -1.323 1.00 1.48 C ATOM 604 CD ARG A 45 -8.745 -12.043 0.068 1.00 1.56 C ATOM 605 NE ARG A 45 -9.479 -12.993 0.912 1.00 1.96 N ATOM 606 CZ ARG A 45 -10.002 -12.711 2.108 1.00 2.32 C ATOM 607 NH1 ARG A 45 -9.882 -11.502 2.636 1.00 2.28 N ATOM 608 NH2 ARG A 45 -10.649 -13.652 2.781 1.00 3.08 N ATOM 0 H ARG A 45 -9.851 -11.054 -3.261 1.00 0.63 H new ATOM 0 HA ARG A 45 -7.851 -9.750 -1.520 1.00 0.60 H new ATOM 0 HB2 ARG A 45 -7.436 -12.267 -3.128 1.00 0.78 H new ATOM 0 HB3 ARG A 45 -6.607 -11.742 -1.676 1.00 0.78 H new ATOM 0 HG2 ARG A 45 -9.484 -12.696 -1.834 1.00 1.48 H new ATOM 0 HG3 ARG A 45 -8.124 -13.626 -1.235 1.00 1.48 H new ATOM 0 HD2 ARG A 45 -7.784 -11.809 0.527 1.00 1.56 H new ATOM 0 HD3 ARG A 45 -9.301 -11.108 -0.003 1.00 1.56 H new ATOM 0 HE ARG A 45 -9.599 -13.942 0.558 1.00 1.96 H new ATOM 0 HH11 ARG A 45 -9.385 -10.771 2.128 1.00 2.28 H new ATOM 0 HH12 ARG A 45 -10.287 -11.302 3.551 1.00 2.28 H new ATOM 0 HH21 ARG A 45 -10.746 -14.587 2.385 1.00 3.08 H new ATOM 0 HH22 ARG A 45 -11.050 -13.441 3.695 1.00 3.08 H new ATOM 622 N ILE A 46 -6.382 -8.896 -3.374 1.00 0.38 N ATOM 623 CA ILE A 46 -5.596 -8.284 -4.448 1.00 0.33 C ATOM 624 C ILE A 46 -4.104 -8.517 -4.209 1.00 0.30 C ATOM 625 O ILE A 46 -3.637 -8.412 -3.078 1.00 0.34 O ATOM 626 CB ILE A 46 -5.863 -6.769 -4.559 1.00 0.35 C ATOM 627 CG1 ILE A 46 -7.325 -6.507 -4.914 1.00 0.44 C ATOM 628 CG2 ILE A 46 -4.957 -6.139 -5.598 1.00 0.45 C ATOM 629 CD1 ILE A 46 -8.237 -6.382 -3.714 1.00 0.40 C ATOM 0 H ILE A 46 -6.114 -8.593 -2.438 1.00 0.38 H new ATOM 0 HA ILE A 46 -5.900 -8.755 -5.383 1.00 0.33 H new ATOM 0 HB ILE A 46 -5.650 -6.317 -3.590 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -7.387 -5.591 -5.501 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -7.685 -7.317 -5.548 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -5.162 -5.070 -5.660 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -3.916 -6.293 -5.314 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -5.140 -6.600 -6.568 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -9.257 -6.197 -4.050 1.00 0.40 H new ATOM 0 HD12 ILE A 46 -8.207 -7.306 -3.137 1.00 0.40 H new ATOM 0 HD13 ILE A 46 -7.905 -5.553 -3.089 1.00 0.40 H new ATOM 641 N LYS A 47 -3.358 -8.833 -5.265 1.00 0.31 N ATOM 642 CA LYS A 47 -1.932 -9.118 -5.133 1.00 0.38 C ATOM 643 C LYS A 47 -1.113 -8.500 -6.263 1.00 0.41 C ATOM 644 O LYS A 47 -1.321 -8.810 -7.438 1.00 0.51 O ATOM 645 CB LYS A 47 -1.698 -10.626 -5.093 1.00 0.51 C ATOM 646 CG LYS A 47 -1.647 -11.211 -3.691 1.00 0.91 C ATOM 647 CD LYS A 47 -0.297 -10.971 -3.028 1.00 1.56 C ATOM 648 CE LYS A 47 -0.212 -11.664 -1.675 1.00 2.17 C ATOM 649 NZ LYS A 47 1.113 -11.469 -1.027 1.00 2.74 N ATOM 0 H LYS A 47 -3.716 -8.898 -6.218 1.00 0.31 H new ATOM 0 HA LYS A 47 -1.599 -8.667 -4.198 1.00 0.38 H new ATOM 0 HB2 LYS A 47 -2.492 -11.121 -5.652 1.00 0.51 H new ATOM 0 HB3 LYS A 47 -0.761 -10.851 -5.603 1.00 0.51 H new ATOM 0 HG2 LYS A 47 -2.435 -10.767 -3.083 1.00 0.91 H new ATOM 0 HG3 LYS A 47 -1.845 -12.282 -3.736 1.00 0.91 H new ATOM 0 HD2 LYS A 47 0.499 -11.337 -3.677 1.00 1.56 H new ATOM 0 HD3 LYS A 47 -0.138 -9.900 -2.901 1.00 1.56 H new ATOM 0 HE2 LYS A 47 -0.995 -11.279 -1.021 1.00 2.17 H new ATOM 0 HE3 LYS A 47 -0.399 -12.730 -1.802 1.00 2.17 H new ATOM 0 HZ1 LYS A 47 1.126 -11.958 -0.109 1.00 2.74 H new ATOM 0 HZ2 LYS A 47 1.859 -11.860 -1.638 1.00 2.74 H new ATOM 0 HZ3 LYS A 47 1.282 -10.453 -0.881 1.00 2.74 H new ATOM 663 N GLN A 48 -0.191 -7.620 -5.897 1.00 0.40 N ATOM 664 CA GLN A 48 0.780 -7.074 -6.836 1.00 0.47 C ATOM 665 C GLN A 48 2.178 -7.194 -6.246 1.00 0.50 C ATOM 666 O GLN A 48 2.477 -6.598 -5.213 1.00 0.78 O ATOM 667 CB GLN A 48 0.473 -5.609 -7.157 1.00 0.52 C ATOM 668 CG GLN A 48 -0.785 -5.416 -7.986 1.00 0.55 C ATOM 669 CD GLN A 48 -1.068 -3.960 -8.288 1.00 0.82 C ATOM 670 OE1 GLN A 48 -0.156 -3.139 -8.387 1.00 1.63 O ATOM 671 NE2 GLN A 48 -2.339 -3.632 -8.456 1.00 1.37 N ATOM 0 H GLN A 48 -0.095 -7.266 -4.945 1.00 0.40 H new ATOM 0 HA GLN A 48 0.722 -7.642 -7.764 1.00 0.47 H new ATOM 0 HB2 GLN A 48 0.371 -5.056 -6.224 1.00 0.52 H new ATOM 0 HB3 GLN A 48 1.320 -5.178 -7.692 1.00 0.52 H new ATOM 0 HG2 GLN A 48 -0.686 -5.964 -8.923 1.00 0.55 H new ATOM 0 HG3 GLN A 48 -1.635 -5.844 -7.454 1.00 0.55 H new ATOM 0 HE21 GLN A 48 -3.065 -4.342 -8.365 1.00 1.37 H new ATOM 0 HE22 GLN A 48 -2.592 -2.669 -8.676 1.00 1.37 H new ATOM 680 N ALA A 49 3.033 -7.964 -6.896 1.00 0.32 N ATOM 681 CA ALA A 49 4.365 -8.219 -6.368 1.00 0.31 C ATOM 682 C ALA A 49 5.423 -8.076 -7.449 1.00 0.31 C ATOM 683 O ALA A 49 5.242 -8.538 -8.580 1.00 0.39 O ATOM 684 CB ALA A 49 4.428 -9.601 -5.744 1.00 0.33 C ATOM 0 H ALA A 49 2.832 -8.422 -7.785 1.00 0.32 H new ATOM 0 HA ALA A 49 4.571 -7.475 -5.599 1.00 0.31 H new ATOM 0 HB1 ALA A 49 5.430 -9.778 -5.353 1.00 0.33 H new ATOM 0 HB2 ALA A 49 3.705 -9.667 -4.931 1.00 0.33 H new ATOM 0 HB3 ALA A 49 4.195 -10.352 -6.499 1.00 0.33 H new ATOM 690 N GLY A 50 6.524 -7.439 -7.096 1.00 0.25 N ATOM 691 CA GLY A 50 7.597 -7.242 -8.040 1.00 0.26 C ATOM 692 C GLY A 50 8.682 -6.362 -7.481 1.00 0.23 C ATOM 693 O GLY A 50 9.055 -6.487 -6.313 1.00 0.25 O ATOM 0 H GLY A 50 6.694 -7.053 -6.167 1.00 0.25 H new ATOM 0 HA2 GLY A 50 8.019 -8.208 -8.316 1.00 0.26 H new ATOM 0 HA3 GLY A 50 7.201 -6.795 -8.952 1.00 0.26 H new ATOM 697 N ALA A 51 9.185 -5.474 -8.311 1.00 0.23 N ATOM 698 CA ALA A 51 10.229 -4.566 -7.913 1.00 0.21 C ATOM 699 C ALA A 51 9.946 -3.186 -8.481 1.00 0.23 C ATOM 700 O ALA A 51 9.134 -3.040 -9.397 1.00 0.38 O ATOM 701 CB ALA A 51 11.578 -5.081 -8.376 1.00 0.23 C ATOM 0 H ALA A 51 8.880 -5.364 -9.278 1.00 0.23 H new ATOM 0 HA ALA A 51 10.254 -4.496 -6.826 1.00 0.21 H new ATOM 0 HB1 ALA A 51 12.358 -4.385 -8.068 1.00 0.23 H new ATOM 0 HB2 ALA A 51 11.767 -6.058 -7.931 1.00 0.23 H new ATOM 0 HB3 ALA A 51 11.580 -5.171 -9.462 1.00 0.23 H new ATOM 707 N PHE A 52 10.600 -2.183 -7.931 1.00 0.15 N ATOM 708 CA PHE A 52 10.415 -0.811 -8.376 1.00 0.16 C ATOM 709 C PHE A 52 11.600 0.039 -7.912 1.00 0.14 C ATOM 710 O PHE A 52 12.475 -0.449 -7.195 1.00 0.16 O ATOM 711 CB PHE A 52 9.080 -0.273 -7.841 1.00 0.17 C ATOM 712 CG PHE A 52 8.701 1.097 -8.329 1.00 0.18 C ATOM 713 CD1 PHE A 52 8.506 1.350 -9.675 1.00 0.24 C ATOM 714 CD2 PHE A 52 8.551 2.134 -7.427 1.00 0.16 C ATOM 715 CE1 PHE A 52 8.163 2.615 -10.112 1.00 0.26 C ATOM 716 CE2 PHE A 52 8.212 3.402 -7.856 1.00 0.18 C ATOM 717 CZ PHE A 52 8.017 3.643 -9.201 1.00 0.23 C ATOM 0 H PHE A 52 11.270 -2.291 -7.169 1.00 0.15 H new ATOM 0 HA PHE A 52 10.378 -0.768 -9.465 1.00 0.16 H new ATOM 0 HB2 PHE A 52 8.289 -0.971 -8.116 1.00 0.17 H new ATOM 0 HB3 PHE A 52 9.124 -0.254 -6.752 1.00 0.17 H new ATOM 0 HD1 PHE A 52 8.623 0.550 -10.392 1.00 0.24 H new ATOM 0 HD2 PHE A 52 8.701 1.950 -6.373 1.00 0.16 H new ATOM 0 HE1 PHE A 52 8.009 2.800 -11.165 1.00 0.26 H new ATOM 0 HE2 PHE A 52 8.100 4.203 -7.141 1.00 0.18 H new ATOM 0 HZ PHE A 52 7.751 4.633 -9.540 1.00 0.23 H new ATOM 727 N THR A 53 11.633 1.291 -8.331 1.00 0.15 N ATOM 728 CA THR A 53 12.724 2.185 -7.992 1.00 0.16 C ATOM 729 C THR A 53 12.408 2.969 -6.729 1.00 0.16 C ATOM 730 O THR A 53 11.316 3.522 -6.587 1.00 0.27 O ATOM 731 CB THR A 53 13.011 3.161 -9.137 1.00 0.21 C ATOM 732 OG1 THR A 53 12.030 3.002 -10.179 1.00 0.43 O ATOM 733 CG2 THR A 53 14.409 2.937 -9.694 1.00 0.40 C ATOM 0 H THR A 53 10.909 1.714 -8.912 1.00 0.15 H new ATOM 0 HA THR A 53 13.608 1.571 -7.820 1.00 0.16 H new ATOM 0 HB THR A 53 12.954 4.178 -8.748 1.00 0.21 H new ATOM 0 HG1 THR A 53 12.220 3.631 -10.906 1.00 0.43 H new ATOM 0 HG21 THR A 53 14.594 3.640 -10.506 1.00 0.40 H new ATOM 0 HG22 THR A 53 15.144 3.093 -8.905 1.00 0.40 H new ATOM 0 HG23 THR A 53 14.492 1.917 -10.070 1.00 0.40 H new ATOM 741 N ALA A 54 13.365 3.029 -5.819 1.00 0.13 N ATOM 742 CA ALA A 54 13.143 3.675 -4.542 1.00 0.13 C ATOM 743 C ALA A 54 14.263 4.659 -4.217 1.00 0.14 C ATOM 744 O ALA A 54 15.433 4.382 -4.455 1.00 0.23 O ATOM 745 CB ALA A 54 12.995 2.631 -3.438 1.00 0.15 C ATOM 0 H ALA A 54 14.299 2.639 -5.942 1.00 0.13 H new ATOM 0 HA ALA A 54 12.216 4.244 -4.606 1.00 0.13 H new ATOM 0 HB1 ALA A 54 12.829 3.131 -2.484 1.00 0.15 H new ATOM 0 HB2 ALA A 54 12.147 1.984 -3.661 1.00 0.15 H new ATOM 0 HB3 ALA A 54 13.904 2.032 -3.380 1.00 0.15 H new ATOM 751 N ILE A 55 13.887 5.815 -3.697 1.00 0.17 N ATOM 752 CA ILE A 55 14.847 6.837 -3.301 1.00 0.18 C ATOM 753 C ILE A 55 15.052 6.820 -1.800 1.00 0.16 C ATOM 754 O ILE A 55 14.105 6.624 -1.039 1.00 0.14 O ATOM 755 CB ILE A 55 14.381 8.229 -3.728 1.00 0.21 C ATOM 756 CG1 ILE A 55 14.439 8.349 -5.242 1.00 0.26 C ATOM 757 CG2 ILE A 55 15.219 9.310 -3.068 1.00 0.23 C ATOM 758 CD1 ILE A 55 15.449 9.357 -5.732 1.00 0.33 C ATOM 0 H ILE A 55 12.913 6.073 -3.537 1.00 0.17 H new ATOM 0 HA ILE A 55 15.789 6.612 -3.801 1.00 0.18 H new ATOM 0 HB ILE A 55 13.350 8.367 -3.403 1.00 0.21 H new ATOM 0 HG12 ILE A 55 14.677 7.374 -5.666 1.00 0.26 H new ATOM 0 HG13 ILE A 55 13.453 8.626 -5.614 1.00 0.26 H new ATOM 0 HG21 ILE A 55 14.867 10.290 -3.389 1.00 0.23 H new ATOM 0 HG22 ILE A 55 15.130 9.229 -1.985 1.00 0.23 H new ATOM 0 HG23 ILE A 55 16.263 9.188 -3.356 1.00 0.23 H new ATOM 0 HD11 ILE A 55 15.434 9.387 -6.821 1.00 0.33 H new ATOM 0 HD12 ILE A 55 15.200 10.342 -5.338 1.00 0.33 H new ATOM 0 HD13 ILE A 55 16.444 9.070 -5.391 1.00 0.33 H new ATOM 770 N ALA A 56 16.294 7.037 -1.395 1.00 0.17 N ATOM 771 CA ALA A 56 16.656 7.040 0.014 1.00 0.18 C ATOM 772 C ALA A 56 15.926 8.131 0.779 1.00 0.17 C ATOM 773 O ALA A 56 16.006 9.310 0.431 1.00 0.20 O ATOM 774 CB ALA A 56 18.151 7.189 0.200 1.00 0.22 C ATOM 0 H ALA A 56 17.074 7.215 -2.028 1.00 0.17 H new ATOM 0 HA ALA A 56 16.350 6.075 0.419 1.00 0.18 H new ATOM 0 HB1 ALA A 56 18.387 7.187 1.264 1.00 0.22 H new ATOM 0 HB2 ALA A 56 18.663 6.359 -0.286 1.00 0.22 H new ATOM 0 HB3 ALA A 56 18.481 8.128 -0.244 1.00 0.22 H new ATOM 780 N GLU A 57 15.205 7.708 1.811 1.00 0.16 N ATOM 781 CA GLU A 57 14.439 8.593 2.669 1.00 0.18 C ATOM 782 C GLU A 57 13.348 9.285 1.866 1.00 0.19 C ATOM 783 O GLU A 57 12.941 10.411 2.154 1.00 0.28 O ATOM 784 CB GLU A 57 15.362 9.582 3.365 1.00 0.23 C ATOM 785 CG GLU A 57 16.432 8.887 4.193 1.00 0.27 C ATOM 786 CD GLU A 57 17.375 9.858 4.861 1.00 0.74 C ATOM 787 OE1 GLU A 57 16.997 10.436 5.897 1.00 0.75 O ATOM 788 OE2 GLU A 57 18.498 10.056 4.347 1.00 1.33 O ATOM 0 H GLU A 57 15.138 6.725 2.076 1.00 0.16 H new ATOM 0 HA GLU A 57 13.948 8.010 3.448 1.00 0.18 H new ATOM 0 HB2 GLU A 57 15.839 10.218 2.619 1.00 0.23 H new ATOM 0 HB3 GLU A 57 14.773 10.234 4.010 1.00 0.23 H new ATOM 0 HG2 GLU A 57 15.953 8.270 4.954 1.00 0.27 H new ATOM 0 HG3 GLU A 57 17.003 8.216 3.551 1.00 0.27 H new ATOM 795 N GLN A 58 12.880 8.573 0.854 1.00 0.16 N ATOM 796 CA GLN A 58 11.785 9.000 0.034 1.00 0.18 C ATOM 797 C GLN A 58 10.670 7.997 0.129 1.00 0.17 C ATOM 798 O GLN A 58 10.893 6.806 0.353 1.00 0.19 O ATOM 799 CB GLN A 58 12.208 9.151 -1.405 1.00 0.20 C ATOM 800 CG GLN A 58 12.254 10.593 -1.862 1.00 0.28 C ATOM 801 CD GLN A 58 11.280 11.484 -1.113 1.00 0.70 C ATOM 802 OE1 GLN A 58 11.613 12.065 -0.080 1.00 1.38 O ATOM 803 NE2 GLN A 58 10.067 11.593 -1.628 1.00 1.48 N ATOM 0 H GLN A 58 13.265 7.668 0.584 1.00 0.16 H new ATOM 0 HA GLN A 58 11.445 9.972 0.392 1.00 0.18 H new ATOM 0 HB2 GLN A 58 13.193 8.703 -1.537 1.00 0.20 H new ATOM 0 HB3 GLN A 58 11.518 8.597 -2.041 1.00 0.20 H new ATOM 0 HG2 GLN A 58 13.265 10.978 -1.730 1.00 0.28 H new ATOM 0 HG3 GLN A 58 12.032 10.638 -2.928 1.00 0.28 H new ATOM 0 HE21 GLN A 58 9.831 11.095 -2.486 1.00 1.48 H new ATOM 0 HE22 GLN A 58 9.368 12.175 -1.167 1.00 1.48 H new ATOM 812 N ARG A 59 9.477 8.493 -0.030 1.00 0.16 N ATOM 813 CA ARG A 59 8.292 7.666 0.020 1.00 0.17 C ATOM 814 C ARG A 59 7.980 7.115 -1.360 1.00 0.17 C ATOM 815 O ARG A 59 7.795 7.870 -2.313 1.00 0.22 O ATOM 816 CB ARG A 59 7.098 8.468 0.515 1.00 0.24 C ATOM 817 CG ARG A 59 6.941 8.536 2.027 1.00 0.30 C ATOM 818 CD ARG A 59 8.186 9.050 2.721 1.00 0.44 C ATOM 819 NE ARG A 59 7.866 9.901 3.865 1.00 1.37 N ATOM 820 CZ ARG A 59 8.013 9.540 5.141 1.00 1.72 C ATOM 821 NH1 ARG A 59 8.390 8.304 5.451 1.00 1.51 N ATOM 822 NH2 ARG A 59 7.755 10.410 6.109 1.00 2.72 N ATOM 0 H ARG A 59 9.291 9.482 -0.198 1.00 0.16 H new ATOM 0 HA ARG A 59 8.483 6.844 0.710 1.00 0.17 H new ATOM 0 HB2 ARG A 59 7.179 9.484 0.129 1.00 0.24 H new ATOM 0 HB3 ARG A 59 6.191 8.037 0.091 1.00 0.24 H new ATOM 0 HG2 ARG A 59 6.099 9.184 2.272 1.00 0.30 H new ATOM 0 HG3 ARG A 59 6.701 7.544 2.408 1.00 0.30 H new ATOM 0 HD2 ARG A 59 8.789 8.206 3.055 1.00 0.44 H new ATOM 0 HD3 ARG A 59 8.791 9.612 2.010 1.00 0.44 H new ATOM 0 HE ARG A 59 7.505 10.836 3.675 1.00 1.37 H new ATOM 0 HH11 ARG A 59 8.569 7.625 4.711 1.00 1.51 H new ATOM 0 HH12 ARG A 59 8.501 8.035 6.429 1.00 1.51 H new ATOM 0 HH21 ARG A 59 7.445 11.354 5.877 1.00 2.72 H new ATOM 0 HH22 ARG A 59 7.867 10.135 7.085 1.00 2.72 H new ATOM 836 N VAL A 60 7.929 5.807 -1.461 1.00 0.13 N ATOM 837 CA VAL A 60 7.616 5.142 -2.704 1.00 0.14 C ATOM 838 C VAL A 60 6.317 4.376 -2.551 1.00 0.13 C ATOM 839 O VAL A 60 6.267 3.366 -1.865 1.00 0.12 O ATOM 840 CB VAL A 60 8.758 4.178 -3.095 1.00 0.14 C ATOM 841 CG1 VAL A 60 8.355 3.279 -4.251 1.00 0.15 C ATOM 842 CG2 VAL A 60 9.994 4.977 -3.452 1.00 0.15 C ATOM 0 H VAL A 60 8.104 5.173 -0.681 1.00 0.13 H new ATOM 0 HA VAL A 60 7.506 5.886 -3.493 1.00 0.14 H new ATOM 0 HB VAL A 60 8.974 3.536 -2.241 1.00 0.14 H new ATOM 0 HG11 VAL A 60 9.182 2.614 -4.500 1.00 0.15 H new ATOM 0 HG12 VAL A 60 7.486 2.686 -3.965 1.00 0.15 H new ATOM 0 HG13 VAL A 60 8.108 3.891 -5.119 1.00 0.15 H new ATOM 0 HG21 VAL A 60 10.800 4.297 -3.728 1.00 0.15 H new ATOM 0 HG22 VAL A 60 9.772 5.636 -4.292 1.00 0.15 H new ATOM 0 HG23 VAL A 60 10.301 5.575 -2.594 1.00 0.15 H new ATOM 852 N THR A 61 5.267 4.834 -3.198 1.00 0.15 N ATOM 853 CA THR A 61 3.984 4.203 -3.005 1.00 0.15 C ATOM 854 C THR A 61 3.801 3.065 -3.986 1.00 0.16 C ATOM 855 O THR A 61 3.946 3.231 -5.199 1.00 0.19 O ATOM 856 CB THR A 61 2.823 5.198 -3.104 1.00 0.17 C ATOM 857 OG1 THR A 61 3.223 6.475 -2.587 1.00 0.19 O ATOM 858 CG2 THR A 61 1.639 4.679 -2.314 1.00 0.19 C ATOM 0 H THR A 61 5.275 5.621 -3.846 1.00 0.15 H new ATOM 0 HA THR A 61 3.971 3.802 -1.991 1.00 0.15 H new ATOM 0 HB THR A 61 2.541 5.311 -4.151 1.00 0.17 H new ATOM 0 HG1 THR A 61 2.475 7.105 -2.656 1.00 0.19 H new ATOM 0 HG21 THR A 61 0.815 5.388 -2.386 1.00 0.19 H new ATOM 0 HG22 THR A 61 1.326 3.716 -2.718 1.00 0.19 H new ATOM 0 HG23 THR A 61 1.924 4.558 -1.269 1.00 0.19 H new ATOM 866 N VAL A 62 3.489 1.906 -3.443 1.00 0.15 N ATOM 867 CA VAL A 62 3.557 0.678 -4.193 1.00 0.15 C ATOM 868 C VAL A 62 2.244 -0.094 -4.194 1.00 0.15 C ATOM 869 O VAL A 62 1.544 -0.159 -3.182 1.00 0.16 O ATOM 870 CB VAL A 62 4.708 -0.200 -3.647 1.00 0.14 C ATOM 871 CG1 VAL A 62 4.485 -1.689 -3.906 1.00 0.14 C ATOM 872 CG2 VAL A 62 6.030 0.269 -4.238 1.00 0.16 C ATOM 0 H VAL A 62 3.184 1.793 -2.476 1.00 0.15 H new ATOM 0 HA VAL A 62 3.754 0.942 -5.232 1.00 0.15 H new ATOM 0 HB VAL A 62 4.733 -0.082 -2.564 1.00 0.14 H new ATOM 0 HG11 VAL A 62 5.323 -2.258 -3.502 1.00 0.14 H new ATOM 0 HG12 VAL A 62 3.562 -2.008 -3.422 1.00 0.14 H new ATOM 0 HG13 VAL A 62 4.411 -1.865 -4.979 1.00 0.14 H new ATOM 0 HG21 VAL A 62 6.841 -0.350 -3.853 1.00 0.16 H new ATOM 0 HG22 VAL A 62 5.993 0.185 -5.324 1.00 0.16 H new ATOM 0 HG23 VAL A 62 6.204 1.309 -3.961 1.00 0.16 H new ATOM 882 N GLY A 63 1.925 -0.670 -5.348 1.00 0.18 N ATOM 883 CA GLY A 63 0.747 -1.497 -5.474 1.00 0.21 C ATOM 884 C GLY A 63 -0.481 -0.685 -5.801 1.00 0.20 C ATOM 885 O GLY A 63 -1.360 -0.527 -4.966 1.00 0.28 O ATOM 0 H GLY A 63 2.470 -0.575 -6.205 1.00 0.18 H new ATOM 0 HA2 GLY A 63 0.908 -2.241 -6.254 1.00 0.21 H new ATOM 0 HA3 GLY A 63 0.585 -2.041 -4.544 1.00 0.21 H new ATOM 889 N ASN A 64 -0.542 -0.173 -7.021 1.00 0.33 N ATOM 890 CA ASN A 64 -1.639 0.688 -7.426 1.00 0.40 C ATOM 891 C ASN A 64 -2.882 -0.139 -7.700 1.00 0.37 C ATOM 892 O ASN A 64 -2.966 -0.858 -8.699 1.00 0.52 O ATOM 893 CB ASN A 64 -1.251 1.491 -8.673 1.00 0.67 C ATOM 894 CG ASN A 64 -2.359 2.412 -9.155 1.00 1.31 C ATOM 895 OD1 ASN A 64 -2.474 3.551 -8.707 1.00 2.17 O ATOM 896 ND2 ASN A 64 -3.172 1.930 -10.084 1.00 1.98 N ATOM 0 H ASN A 64 0.156 -0.340 -7.746 1.00 0.33 H new ATOM 0 HA ASN A 64 -1.854 1.384 -6.615 1.00 0.40 H new ATOM 0 HB2 ASN A 64 -0.363 2.084 -8.455 1.00 0.67 H new ATOM 0 HB3 ASN A 64 -0.985 0.801 -9.474 1.00 0.67 H new ATOM 0 HD21 ASN A 64 -3.926 2.510 -10.453 1.00 1.98 H new ATOM 0 HD22 ASN A 64 -3.044 0.979 -10.430 1.00 1.98 H new ATOM 903 N VAL A 65 -3.835 -0.038 -6.797 1.00 0.25 N ATOM 904 CA VAL A 65 -5.119 -0.700 -6.948 1.00 0.33 C ATOM 905 C VAL A 65 -6.235 0.305 -6.718 1.00 0.27 C ATOM 906 O VAL A 65 -6.405 0.808 -5.611 1.00 0.35 O ATOM 907 CB VAL A 65 -5.277 -1.868 -5.957 1.00 0.43 C ATOM 908 CG1 VAL A 65 -6.518 -2.686 -6.283 1.00 1.29 C ATOM 909 CG2 VAL A 65 -4.036 -2.745 -5.955 1.00 1.10 C ATOM 0 H VAL A 65 -3.744 0.504 -5.938 1.00 0.25 H new ATOM 0 HA VAL A 65 -5.172 -1.104 -7.959 1.00 0.33 H new ATOM 0 HB VAL A 65 -5.398 -1.452 -4.957 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -6.611 -3.506 -5.571 1.00 1.29 H new ATOM 0 HG12 VAL A 65 -7.400 -2.049 -6.220 1.00 1.29 H new ATOM 0 HG13 VAL A 65 -6.433 -3.090 -7.292 1.00 1.29 H new ATOM 0 HG21 VAL A 65 -4.170 -3.564 -5.248 1.00 1.10 H new ATOM 0 HG22 VAL A 65 -3.876 -3.151 -6.954 1.00 1.10 H new ATOM 0 HG23 VAL A 65 -3.171 -2.150 -5.662 1.00 1.10 H new ATOM 919 N VAL A 66 -6.976 0.620 -7.764 1.00 0.25 N ATOM 920 CA VAL A 66 -8.039 1.605 -7.661 1.00 0.23 C ATOM 921 C VAL A 66 -9.390 0.926 -7.480 1.00 0.24 C ATOM 922 O VAL A 66 -9.819 0.126 -8.314 1.00 0.27 O ATOM 923 CB VAL A 66 -8.083 2.531 -8.890 1.00 0.28 C ATOM 924 CG1 VAL A 66 -9.121 3.629 -8.698 1.00 0.30 C ATOM 925 CG2 VAL A 66 -6.712 3.130 -9.164 1.00 0.29 C ATOM 0 H VAL A 66 -6.863 0.211 -8.691 1.00 0.25 H new ATOM 0 HA VAL A 66 -7.824 2.215 -6.784 1.00 0.23 H new ATOM 0 HB VAL A 66 -8.372 1.934 -9.755 1.00 0.28 H new ATOM 0 HG11 VAL A 66 -9.137 4.273 -9.577 1.00 0.30 H new ATOM 0 HG12 VAL A 66 -10.104 3.180 -8.560 1.00 0.30 H new ATOM 0 HG13 VAL A 66 -8.866 4.221 -7.819 1.00 0.30 H new ATOM 0 HG21 VAL A 66 -6.767 3.781 -10.037 1.00 0.29 H new ATOM 0 HG22 VAL A 66 -6.389 3.709 -8.299 1.00 0.29 H new ATOM 0 HG23 VAL A 66 -5.996 2.330 -9.353 1.00 0.29 H new ATOM 935 N LEU A 67 -10.039 1.253 -6.379 1.00 0.22 N ATOM 936 CA LEU A 67 -11.333 0.692 -6.034 1.00 0.23 C ATOM 937 C LEU A 67 -12.411 1.748 -6.239 1.00 0.24 C ATOM 938 O LEU A 67 -12.104 2.923 -6.448 1.00 0.26 O ATOM 939 CB LEU A 67 -11.371 0.251 -4.565 1.00 0.21 C ATOM 940 CG LEU A 67 -10.181 -0.558 -4.024 1.00 0.19 C ATOM 941 CD1 LEU A 67 -9.789 -1.672 -4.983 1.00 0.25 C ATOM 942 CD2 LEU A 67 -8.985 0.334 -3.710 1.00 0.18 C ATOM 0 H LEU A 67 -9.682 1.919 -5.694 1.00 0.22 H new ATOM 0 HA LEU A 67 -11.506 -0.174 -6.673 1.00 0.23 H new ATOM 0 HB2 LEU A 67 -11.474 1.145 -3.950 1.00 0.21 H new ATOM 0 HB3 LEU A 67 -12.273 -0.343 -4.418 1.00 0.21 H new ATOM 0 HG LEU A 67 -10.504 -1.015 -3.088 1.00 0.19 H new ATOM 0 HD11 LEU A 67 -8.945 -2.226 -4.572 1.00 0.25 H new ATOM 0 HD12 LEU A 67 -10.633 -2.347 -5.121 1.00 0.25 H new ATOM 0 HD13 LEU A 67 -9.508 -1.242 -5.944 1.00 0.25 H new ATOM 0 HD21 LEU A 67 -8.166 -0.276 -3.330 1.00 0.18 H new ATOM 0 HD22 LEU A 67 -8.665 0.847 -4.617 1.00 0.18 H new ATOM 0 HD23 LEU A 67 -9.268 1.070 -2.958 1.00 0.18 H new ATOM 954 N ASP A 68 -13.667 1.337 -6.194 1.00 0.26 N ATOM 955 CA ASP A 68 -14.763 2.289 -6.140 1.00 0.28 C ATOM 956 C ASP A 68 -14.829 2.866 -4.731 1.00 0.28 C ATOM 957 O ASP A 68 -14.826 2.127 -3.749 1.00 0.30 O ATOM 958 CB ASP A 68 -16.100 1.643 -6.546 1.00 0.32 C ATOM 959 CG ASP A 68 -16.599 0.591 -5.572 1.00 0.79 C ATOM 960 OD1 ASP A 68 -16.116 -0.563 -5.626 1.00 0.92 O ATOM 961 OD2 ASP A 68 -17.507 0.900 -4.772 1.00 1.25 O ATOM 0 H ASP A 68 -13.952 0.358 -6.194 1.00 0.26 H new ATOM 0 HA ASP A 68 -14.582 3.090 -6.857 1.00 0.28 H new ATOM 0 HB2 ASP A 68 -16.855 2.424 -6.640 1.00 0.32 H new ATOM 0 HB3 ASP A 68 -15.988 1.188 -7.530 1.00 0.32 H new ATOM 966 N TYR A 69 -14.854 4.184 -4.624 1.00 0.28 N ATOM 967 CA TYR A 69 -14.753 4.828 -3.323 1.00 0.27 C ATOM 968 C TYR A 69 -16.039 4.701 -2.529 1.00 0.27 C ATOM 969 O TYR A 69 -17.122 5.033 -3.014 1.00 0.30 O ATOM 970 CB TYR A 69 -14.380 6.303 -3.461 1.00 0.29 C ATOM 971 CG TYR A 69 -14.617 7.099 -2.198 1.00 0.28 C ATOM 972 CD1 TYR A 69 -13.972 6.768 -1.015 1.00 0.26 C ATOM 973 CD2 TYR A 69 -15.491 8.176 -2.192 1.00 0.31 C ATOM 974 CE1 TYR A 69 -14.197 7.492 0.146 1.00 0.27 C ATOM 975 CE2 TYR A 69 -15.719 8.903 -1.043 1.00 0.32 C ATOM 976 CZ TYR A 69 -15.073 8.557 0.122 1.00 0.30 C ATOM 977 OH TYR A 69 -15.311 9.272 1.267 1.00 0.33 O ATOM 0 H TYR A 69 -14.942 4.824 -5.413 1.00 0.28 H new ATOM 0 HA TYR A 69 -13.961 4.311 -2.781 1.00 0.27 H new ATOM 0 HB2 TYR A 69 -13.329 6.381 -3.740 1.00 0.29 H new ATOM 0 HB3 TYR A 69 -14.958 6.743 -4.274 1.00 0.29 H new ATOM 0 HD1 TYR A 69 -13.285 5.935 -0.998 1.00 0.26 H new ATOM 0 HD2 TYR A 69 -16.002 8.450 -3.103 1.00 0.31 H new ATOM 0 HE1 TYR A 69 -13.690 7.224 1.061 1.00 0.27 H new ATOM 0 HE2 TYR A 69 -16.401 9.740 -1.057 1.00 0.32 H new ATOM 0 HH TYR A 69 -15.952 9.989 1.078 1.00 0.33 H new ATOM 987 N SER A 70 -15.902 4.207 -1.313 1.00 0.25 N ATOM 988 CA SER A 70 -16.989 4.187 -0.368 1.00 0.27 C ATOM 989 C SER A 70 -16.452 4.500 1.019 1.00 0.29 C ATOM 990 O SER A 70 -15.572 3.804 1.525 1.00 0.28 O ATOM 991 CB SER A 70 -17.684 2.839 -0.404 1.00 0.30 C ATOM 992 OG SER A 70 -18.644 2.776 -1.444 1.00 0.99 O ATOM 0 H SER A 70 -15.032 3.810 -0.958 1.00 0.25 H new ATOM 0 HA SER A 70 -17.726 4.945 -0.632 1.00 0.27 H new ATOM 0 HB2 SER A 70 -16.944 2.051 -0.543 1.00 0.30 H new ATOM 0 HB3 SER A 70 -18.171 2.654 0.553 1.00 0.30 H new ATOM 0 HG SER A 70 -18.424 3.437 -2.133 1.00 0.99 H new ATOM 998 N SER A 71 -16.964 5.565 1.616 1.00 0.36 N ATOM 999 CA SER A 71 -16.492 6.029 2.910 1.00 0.42 C ATOM 1000 C SER A 71 -16.768 5.006 4.006 1.00 0.43 C ATOM 1001 O SER A 71 -16.050 4.941 5.002 1.00 0.50 O ATOM 1002 CB SER A 71 -17.141 7.361 3.245 1.00 0.50 C ATOM 1003 OG SER A 71 -18.544 7.315 3.037 1.00 0.54 O ATOM 0 H SER A 71 -17.715 6.129 1.219 1.00 0.36 H new ATOM 0 HA SER A 71 -15.411 6.160 2.853 1.00 0.42 H new ATOM 0 HB2 SER A 71 -16.933 7.619 4.283 1.00 0.50 H new ATOM 0 HB3 SER A 71 -16.705 8.146 2.628 1.00 0.50 H new ATOM 0 HG SER A 71 -18.937 8.184 3.262 1.00 0.54 H new ATOM 1009 N ALA A 72 -17.800 4.200 3.806 1.00 0.39 N ATOM 1010 CA ALA A 72 -18.178 3.184 4.774 1.00 0.43 C ATOM 1011 C ALA A 72 -17.540 1.840 4.445 1.00 0.40 C ATOM 1012 O ALA A 72 -17.707 0.868 5.180 1.00 0.50 O ATOM 1013 CB ALA A 72 -19.687 3.045 4.816 1.00 0.47 C ATOM 0 H ALA A 72 -18.393 4.231 2.977 1.00 0.39 H new ATOM 0 HA ALA A 72 -17.815 3.499 5.753 1.00 0.43 H new ATOM 0 HB1 ALA A 72 -19.962 2.282 5.544 1.00 0.47 H new ATOM 0 HB2 ALA A 72 -20.132 3.998 5.103 1.00 0.47 H new ATOM 0 HB3 ALA A 72 -20.053 2.756 3.831 1.00 0.47 H new ATOM 1019 N ASN A 73 -16.795 1.795 3.348 1.00 0.32 N ATOM 1020 CA ASN A 73 -16.217 0.544 2.869 1.00 0.30 C ATOM 1021 C ASN A 73 -15.006 0.152 3.693 1.00 0.33 C ATOM 1022 O ASN A 73 -14.295 1.009 4.219 1.00 0.47 O ATOM 1023 CB ASN A 73 -15.794 0.670 1.412 1.00 0.32 C ATOM 1024 CG ASN A 73 -16.066 -0.600 0.633 1.00 0.53 C ATOM 1025 OD1 ASN A 73 -16.051 -1.694 1.187 1.00 1.32 O ATOM 1026 ND2 ASN A 73 -16.317 -0.466 -0.656 1.00 0.95 N ATOM 0 H ASN A 73 -16.576 2.609 2.773 1.00 0.32 H new ATOM 0 HA ASN A 73 -16.984 -0.225 2.965 1.00 0.30 H new ATOM 0 HB2 ASN A 73 -16.327 1.501 0.950 1.00 0.32 H new ATOM 0 HB3 ASN A 73 -14.731 0.906 1.362 1.00 0.32 H new ATOM 0 HD21 ASN A 73 -16.507 -1.290 -1.227 1.00 0.95 H new ATOM 0 HD22 ASN A 73 -16.321 0.461 -1.081 1.00 0.95 H new ATOM 1033 N ARG A 74 -14.770 -1.142 3.801 1.00 0.32 N ATOM 1034 CA ARG A 74 -13.572 -1.633 4.443 1.00 0.35 C ATOM 1035 C ARG A 74 -12.563 -2.027 3.377 1.00 0.27 C ATOM 1036 O ARG A 74 -12.743 -3.008 2.660 1.00 0.32 O ATOM 1037 CB ARG A 74 -13.894 -2.825 5.346 1.00 0.48 C ATOM 1038 CG ARG A 74 -14.824 -2.489 6.503 1.00 0.73 C ATOM 1039 CD ARG A 74 -14.156 -1.568 7.516 1.00 1.02 C ATOM 1040 NE ARG A 74 -15.091 -1.114 8.542 1.00 1.49 N ATOM 1041 CZ ARG A 74 -14.728 -0.577 9.708 1.00 1.89 C ATOM 1042 NH1 ARG A 74 -13.445 -0.495 10.044 1.00 2.10 N ATOM 1043 NH2 ARG A 74 -15.654 -0.139 10.550 1.00 2.50 N ATOM 0 H ARG A 74 -15.394 -1.869 3.452 1.00 0.32 H new ATOM 0 HA ARG A 74 -13.149 -0.846 5.068 1.00 0.35 H new ATOM 0 HB2 ARG A 74 -14.349 -3.612 4.744 1.00 0.48 H new ATOM 0 HB3 ARG A 74 -12.963 -3.227 5.746 1.00 0.48 H new ATOM 0 HG2 ARG A 74 -15.726 -2.013 6.118 1.00 0.73 H new ATOM 0 HG3 ARG A 74 -15.136 -3.409 6.998 1.00 0.73 H new ATOM 0 HD2 ARG A 74 -13.325 -2.091 7.989 1.00 1.02 H new ATOM 0 HD3 ARG A 74 -13.737 -0.704 7.000 1.00 1.02 H new ATOM 0 HE ARG A 74 -16.089 -1.214 8.354 1.00 1.49 H new ATOM 0 HH11 ARG A 74 -12.728 -0.844 9.408 1.00 2.10 H new ATOM 0 HH12 ARG A 74 -13.177 -0.083 10.938 1.00 2.10 H new ATOM 0 HH21 ARG A 74 -16.642 -0.213 10.306 1.00 2.50 H new ATOM 0 HH22 ARG A 74 -15.379 0.272 11.442 1.00 2.50 H new ATOM 1057 N TYR A 75 -11.517 -1.238 3.261 1.00 0.19 N ATOM 1058 CA TYR A 75 -10.429 -1.530 2.349 1.00 0.14 C ATOM 1059 C TYR A 75 -9.135 -1.600 3.134 1.00 0.13 C ATOM 1060 O TYR A 75 -8.779 -0.648 3.821 1.00 0.15 O ATOM 1061 CB TYR A 75 -10.303 -0.448 1.281 1.00 0.12 C ATOM 1062 CG TYR A 75 -11.369 -0.493 0.224 1.00 0.13 C ATOM 1063 CD1 TYR A 75 -11.649 -1.675 -0.423 1.00 0.19 C ATOM 1064 CD2 TYR A 75 -12.076 0.645 -0.142 1.00 0.18 C ATOM 1065 CE1 TYR A 75 -12.601 -1.740 -1.407 1.00 0.25 C ATOM 1066 CE2 TYR A 75 -13.040 0.590 -1.130 1.00 0.24 C ATOM 1067 CZ TYR A 75 -13.298 -0.608 -1.762 1.00 0.27 C ATOM 1068 OH TYR A 75 -14.243 -0.671 -2.756 1.00 0.35 O ATOM 0 H TYR A 75 -11.395 -0.377 3.795 1.00 0.19 H new ATOM 0 HA TYR A 75 -10.634 -2.481 1.857 1.00 0.14 H new ATOM 0 HB2 TYR A 75 -10.329 0.528 1.765 1.00 0.12 H new ATOM 0 HB3 TYR A 75 -9.329 -0.540 0.801 1.00 0.12 H new ATOM 0 HD1 TYR A 75 -11.108 -2.569 -0.150 1.00 0.19 H new ATOM 0 HD2 TYR A 75 -11.870 1.583 0.351 1.00 0.18 H new ATOM 0 HE1 TYR A 75 -12.804 -2.678 -1.903 1.00 0.25 H new ATOM 0 HE2 TYR A 75 -13.588 1.479 -1.405 1.00 0.24 H new ATOM 0 HH TYR A 75 -14.425 0.231 -3.092 1.00 0.35 H new ATOM 1078 N ALA A 76 -8.442 -2.712 3.048 1.00 0.14 N ATOM 1079 CA ALA A 76 -7.195 -2.876 3.766 1.00 0.13 C ATOM 1080 C ALA A 76 -6.085 -3.289 2.829 1.00 0.12 C ATOM 1081 O ALA A 76 -6.326 -3.619 1.675 1.00 0.12 O ATOM 1082 CB ALA A 76 -7.323 -3.879 4.887 1.00 0.16 C ATOM 0 H ALA A 76 -8.719 -3.518 2.488 1.00 0.14 H new ATOM 0 HA ALA A 76 -6.948 -1.909 4.204 1.00 0.13 H new ATOM 0 HB1 ALA A 76 -6.367 -3.974 5.401 1.00 0.16 H new ATOM 0 HB2 ALA A 76 -8.082 -3.541 5.592 1.00 0.16 H new ATOM 0 HB3 ALA A 76 -7.612 -4.847 4.478 1.00 0.16 H new ATOM 1088 N ALA A 77 -4.872 -3.253 3.329 1.00 0.13 N ATOM 1089 CA ALA A 77 -3.710 -3.552 2.531 1.00 0.13 C ATOM 1090 C ALA A 77 -2.656 -4.223 3.384 1.00 0.14 C ATOM 1091 O ALA A 77 -2.742 -4.201 4.604 1.00 0.16 O ATOM 1092 CB ALA A 77 -3.164 -2.281 1.907 1.00 0.12 C ATOM 0 H ALA A 77 -4.665 -3.016 4.299 1.00 0.13 H new ATOM 0 HA ALA A 77 -3.994 -4.234 1.730 1.00 0.13 H new ATOM 0 HB1 ALA A 77 -2.286 -2.519 1.306 1.00 0.12 H new ATOM 0 HB2 ALA A 77 -3.927 -1.830 1.272 1.00 0.12 H new ATOM 0 HB3 ALA A 77 -2.886 -1.580 2.694 1.00 0.12 H new ATOM 1098 N ARG A 78 -1.702 -4.848 2.734 1.00 0.14 N ATOM 1099 CA ARG A 78 -0.555 -5.437 3.399 1.00 0.16 C ATOM 1100 C ARG A 78 0.615 -5.488 2.436 1.00 0.14 C ATOM 1101 O ARG A 78 0.518 -6.081 1.363 1.00 0.16 O ATOM 1102 CB ARG A 78 -0.853 -6.836 3.929 1.00 0.23 C ATOM 1103 CG ARG A 78 -1.491 -7.744 2.915 1.00 0.56 C ATOM 1104 CD ARG A 78 -2.993 -7.653 3.021 1.00 1.56 C ATOM 1105 NE ARG A 78 -3.666 -8.850 2.524 1.00 2.06 N ATOM 1106 CZ ARG A 78 -4.715 -9.416 3.120 1.00 2.77 C ATOM 1107 NH1 ARG A 78 -5.178 -8.933 4.271 1.00 3.25 N ATOM 1108 NH2 ARG A 78 -5.298 -10.473 2.568 1.00 3.35 N ATOM 0 H ARG A 78 -1.697 -4.965 1.721 1.00 0.14 H new ATOM 0 HA ARG A 78 -0.309 -4.811 4.257 1.00 0.16 H new ATOM 0 HB2 ARG A 78 0.076 -7.289 4.275 1.00 0.23 H new ATOM 0 HB3 ARG A 78 -1.510 -6.754 4.795 1.00 0.23 H new ATOM 0 HG2 ARG A 78 -1.171 -7.465 1.911 1.00 0.56 H new ATOM 0 HG3 ARG A 78 -1.167 -8.772 3.079 1.00 0.56 H new ATOM 0 HD2 ARG A 78 -3.271 -7.491 4.063 1.00 1.56 H new ATOM 0 HD3 ARG A 78 -3.341 -6.786 2.460 1.00 1.56 H new ATOM 0 HE ARG A 78 -3.312 -9.279 1.669 1.00 2.06 H new ATOM 0 HH11 ARG A 78 -4.729 -8.125 4.702 1.00 3.25 H new ATOM 0 HH12 ARG A 78 -5.981 -9.371 4.722 1.00 3.25 H new ATOM 0 HH21 ARG A 78 -4.943 -10.850 1.689 1.00 3.35 H new ATOM 0 HH22 ARG A 78 -6.101 -10.908 3.022 1.00 3.35 H new ATOM 1122 N LEU A 79 1.712 -4.854 2.794 1.00 0.17 N ATOM 1123 CA LEU A 79 2.860 -4.832 1.915 1.00 0.15 C ATOM 1124 C LEU A 79 4.040 -5.521 2.561 1.00 0.15 C ATOM 1125 O LEU A 79 4.496 -5.122 3.628 1.00 0.22 O ATOM 1126 CB LEU A 79 3.240 -3.401 1.534 1.00 0.16 C ATOM 1127 CG LEU A 79 3.870 -3.248 0.142 1.00 0.15 C ATOM 1128 CD1 LEU A 79 4.110 -1.785 -0.178 1.00 0.18 C ATOM 1129 CD2 LEU A 79 5.161 -4.056 0.029 1.00 0.16 C ATOM 0 H LEU A 79 1.832 -4.354 3.675 1.00 0.17 H new ATOM 0 HA LEU A 79 2.588 -5.369 1.007 1.00 0.15 H new ATOM 0 HB2 LEU A 79 2.347 -2.778 1.583 1.00 0.16 H new ATOM 0 HB3 LEU A 79 3.938 -3.016 2.277 1.00 0.16 H new ATOM 0 HG LEU A 79 3.169 -3.645 -0.592 1.00 0.15 H new ATOM 0 HD11 LEU A 79 4.557 -1.698 -1.168 1.00 0.18 H new ATOM 0 HD12 LEU A 79 3.162 -1.248 -0.159 1.00 0.18 H new ATOM 0 HD13 LEU A 79 4.784 -1.356 0.563 1.00 0.18 H new ATOM 0 HD21 LEU A 79 5.584 -3.928 -0.967 1.00 0.16 H new ATOM 0 HD22 LEU A 79 5.875 -3.706 0.774 1.00 0.16 H new ATOM 0 HD23 LEU A 79 4.946 -5.111 0.199 1.00 0.16 H new ATOM 1141 N ASP A 80 4.523 -6.550 1.899 1.00 0.12 N ATOM 1142 CA ASP A 80 5.732 -7.230 2.307 1.00 0.12 C ATOM 1143 C ASP A 80 6.905 -6.693 1.507 1.00 0.11 C ATOM 1144 O ASP A 80 6.947 -6.822 0.290 1.00 0.15 O ATOM 1145 CB ASP A 80 5.606 -8.738 2.088 1.00 0.15 C ATOM 1146 CG ASP A 80 4.646 -9.416 3.041 1.00 1.16 C ATOM 1147 OD1 ASP A 80 3.436 -9.480 2.730 1.00 2.22 O ATOM 1148 OD2 ASP A 80 5.088 -9.859 4.125 1.00 1.06 O ATOM 0 H ASP A 80 4.088 -6.939 1.062 1.00 0.12 H new ATOM 0 HA ASP A 80 5.895 -7.049 3.369 1.00 0.12 H new ATOM 0 HB2 ASP A 80 5.277 -8.921 1.065 1.00 0.15 H new ATOM 0 HB3 ASP A 80 6.590 -9.194 2.193 1.00 0.15 H new ATOM 1153 N VAL A 81 7.845 -6.061 2.164 1.00 0.09 N ATOM 1154 CA VAL A 81 9.028 -5.597 1.473 1.00 0.10 C ATOM 1155 C VAL A 81 10.189 -6.508 1.809 1.00 0.12 C ATOM 1156 O VAL A 81 10.712 -6.474 2.918 1.00 0.13 O ATOM 1157 CB VAL A 81 9.403 -4.149 1.833 1.00 0.09 C ATOM 1158 CG1 VAL A 81 10.490 -3.647 0.904 1.00 0.09 C ATOM 1159 CG2 VAL A 81 8.188 -3.238 1.788 1.00 0.09 C ATOM 0 H VAL A 81 7.819 -5.857 3.163 1.00 0.09 H new ATOM 0 HA VAL A 81 8.807 -5.618 0.406 1.00 0.10 H new ATOM 0 HB VAL A 81 9.783 -4.137 2.855 1.00 0.09 H new ATOM 0 HG11 VAL A 81 10.748 -2.621 1.167 1.00 0.09 H new ATOM 0 HG12 VAL A 81 11.372 -4.280 1.001 1.00 0.09 H new ATOM 0 HG13 VAL A 81 10.132 -3.679 -0.125 1.00 0.09 H new ATOM 0 HG21 VAL A 81 8.485 -2.222 2.047 1.00 0.09 H new ATOM 0 HG22 VAL A 81 7.763 -3.247 0.784 1.00 0.09 H new ATOM 0 HG23 VAL A 81 7.442 -3.591 2.501 1.00 0.09 H new ATOM 1169 N SER A 82 10.576 -7.324 0.853 1.00 0.14 N ATOM 1170 CA SER A 82 11.702 -8.211 1.019 1.00 0.17 C ATOM 1171 C SER A 82 12.692 -7.974 -0.108 1.00 0.20 C ATOM 1172 O SER A 82 12.384 -8.193 -1.281 1.00 0.25 O ATOM 1173 CB SER A 82 11.260 -9.655 1.020 1.00 0.21 C ATOM 1174 OG SER A 82 12.194 -10.480 1.697 1.00 0.82 O ATOM 0 H SER A 82 10.120 -7.390 -0.057 1.00 0.14 H new ATOM 0 HA SER A 82 12.174 -8.003 1.979 1.00 0.17 H new ATOM 0 HB2 SER A 82 10.284 -9.738 1.499 1.00 0.21 H new ATOM 0 HB3 SER A 82 11.142 -10.002 -0.007 1.00 0.21 H new ATOM 0 HG SER A 82 11.881 -11.408 1.683 1.00 0.82 H new ATOM 1180 N PHE A 83 13.859 -7.499 0.252 1.00 0.21 N ATOM 1181 CA PHE A 83 14.884 -7.163 -0.715 1.00 0.24 C ATOM 1182 C PHE A 83 16.253 -7.195 -0.051 1.00 0.24 C ATOM 1183 O PHE A 83 16.684 -6.215 0.563 1.00 0.23 O ATOM 1184 CB PHE A 83 14.602 -5.788 -1.335 1.00 0.26 C ATOM 1185 CG PHE A 83 15.672 -5.317 -2.281 1.00 0.27 C ATOM 1186 CD1 PHE A 83 15.963 -6.031 -3.433 1.00 0.31 C ATOM 1187 CD2 PHE A 83 16.390 -4.166 -2.013 1.00 0.29 C ATOM 1188 CE1 PHE A 83 16.949 -5.603 -4.299 1.00 0.34 C ATOM 1189 CE2 PHE A 83 17.378 -3.734 -2.876 1.00 0.32 C ATOM 1190 CZ PHE A 83 17.658 -4.453 -4.020 1.00 0.34 C ATOM 0 H PHE A 83 14.128 -7.333 1.222 1.00 0.21 H new ATOM 0 HA PHE A 83 14.875 -7.901 -1.518 1.00 0.24 H new ATOM 0 HB2 PHE A 83 13.652 -5.828 -1.867 1.00 0.26 H new ATOM 0 HB3 PHE A 83 14.489 -5.056 -0.536 1.00 0.26 H new ATOM 0 HD1 PHE A 83 15.412 -6.933 -3.656 1.00 0.31 H new ATOM 0 HD2 PHE A 83 16.176 -3.599 -1.119 1.00 0.29 H new ATOM 0 HE1 PHE A 83 17.165 -6.168 -5.194 1.00 0.34 H new ATOM 0 HE2 PHE A 83 17.932 -2.833 -2.655 1.00 0.32 H new ATOM 0 HZ PHE A 83 18.430 -4.116 -4.695 1.00 0.34 H new ATOM 1200 N GLY A 84 16.921 -8.331 -0.156 1.00 0.30 N ATOM 1201 CA GLY A 84 18.229 -8.483 0.441 1.00 0.34 C ATOM 1202 C GLY A 84 18.178 -8.451 1.954 1.00 0.34 C ATOM 1203 O GLY A 84 17.703 -9.395 2.586 1.00 0.41 O ATOM 0 H GLY A 84 16.578 -9.156 -0.648 1.00 0.30 H new ATOM 0 HA2 GLY A 84 18.667 -9.426 0.114 1.00 0.34 H new ATOM 0 HA3 GLY A 84 18.883 -7.687 0.085 1.00 0.34 H new ATOM 1207 N SER A 85 18.637 -7.355 2.534 1.00 0.32 N ATOM 1208 CA SER A 85 18.718 -7.229 3.978 1.00 0.36 C ATOM 1209 C SER A 85 17.382 -6.830 4.596 1.00 0.31 C ATOM 1210 O SER A 85 17.204 -6.916 5.811 1.00 0.35 O ATOM 1211 CB SER A 85 19.783 -6.212 4.340 1.00 0.43 C ATOM 1212 OG SER A 85 19.536 -4.968 3.707 1.00 0.42 O ATOM 0 H SER A 85 18.961 -6.535 2.022 1.00 0.32 H new ATOM 0 HA SER A 85 18.983 -8.206 4.383 1.00 0.36 H new ATOM 0 HB2 SER A 85 19.807 -6.075 5.421 1.00 0.43 H new ATOM 0 HB3 SER A 85 20.763 -6.586 4.044 1.00 0.43 H new ATOM 0 HG SER A 85 20.235 -4.329 3.958 1.00 0.42 H new ATOM 1218 N VAL A 86 16.440 -6.396 3.772 1.00 0.24 N ATOM 1219 CA VAL A 86 15.156 -5.956 4.286 1.00 0.20 C ATOM 1220 C VAL A 86 14.064 -6.997 4.064 1.00 0.17 C ATOM 1221 O VAL A 86 13.937 -7.563 2.979 1.00 0.18 O ATOM 1222 CB VAL A 86 14.714 -4.612 3.658 1.00 0.18 C ATOM 1223 CG1 VAL A 86 14.475 -4.738 2.161 1.00 0.17 C ATOM 1224 CG2 VAL A 86 13.468 -4.093 4.356 1.00 0.19 C ATOM 0 H VAL A 86 16.540 -6.340 2.758 1.00 0.24 H new ATOM 0 HA VAL A 86 15.294 -5.817 5.358 1.00 0.20 H new ATOM 0 HB VAL A 86 15.525 -3.897 3.798 1.00 0.18 H new ATOM 0 HG11 VAL A 86 14.166 -3.773 1.759 1.00 0.17 H new ATOM 0 HG12 VAL A 86 15.395 -5.058 1.671 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.692 -5.474 1.978 1.00 0.17 H new ATOM 0 HG21 VAL A 86 13.166 -3.147 3.906 1.00 0.19 H new ATOM 0 HG22 VAL A 86 12.662 -4.819 4.249 1.00 0.19 H new ATOM 0 HG23 VAL A 86 13.681 -3.940 5.414 1.00 0.19 H new ATOM 1234 N THR A 87 13.316 -7.277 5.120 1.00 0.17 N ATOM 1235 CA THR A 87 12.057 -7.990 5.004 1.00 0.17 C ATOM 1236 C THR A 87 11.093 -7.467 6.062 1.00 0.15 C ATOM 1237 O THR A 87 11.343 -7.591 7.263 1.00 0.18 O ATOM 1238 CB THR A 87 12.231 -9.510 5.178 1.00 0.21 C ATOM 1239 OG1 THR A 87 13.380 -9.962 4.448 1.00 0.25 O ATOM 1240 CG2 THR A 87 10.996 -10.237 4.681 1.00 0.23 C ATOM 0 H THR A 87 13.564 -7.018 6.075 1.00 0.17 H new ATOM 0 HA THR A 87 11.664 -7.817 4.002 1.00 0.17 H new ATOM 0 HB THR A 87 12.372 -9.725 6.237 1.00 0.21 H new ATOM 0 HG1 THR A 87 13.121 -10.167 3.525 1.00 0.25 H new ATOM 0 HG21 THR A 87 11.130 -11.311 4.809 1.00 0.23 H new ATOM 0 HG22 THR A 87 10.127 -9.909 5.251 1.00 0.23 H new ATOM 0 HG23 THR A 87 10.842 -10.014 3.625 1.00 0.23 H new ATOM 1248 N ILE A 88 9.994 -6.889 5.604 1.00 0.12 N ATOM 1249 CA ILE A 88 9.044 -6.205 6.476 1.00 0.11 C ATOM 1250 C ILE A 88 7.644 -6.308 5.903 1.00 0.10 C ATOM 1251 O ILE A 88 7.477 -6.667 4.742 1.00 0.11 O ATOM 1252 CB ILE A 88 9.376 -4.718 6.627 1.00 0.10 C ATOM 1253 CG1 ILE A 88 9.213 -4.027 5.288 1.00 0.09 C ATOM 1254 CG2 ILE A 88 10.786 -4.522 7.162 1.00 0.14 C ATOM 1255 CD1 ILE A 88 9.502 -2.550 5.333 1.00 0.09 C ATOM 0 H ILE A 88 9.733 -6.879 4.618 1.00 0.12 H new ATOM 0 HA ILE A 88 9.106 -6.688 7.451 1.00 0.11 H new ATOM 0 HB ILE A 88 8.687 -4.276 7.347 1.00 0.10 H new ATOM 0 HG12 ILE A 88 9.877 -4.497 4.563 1.00 0.09 H new ATOM 0 HG13 ILE A 88 8.194 -4.179 4.932 1.00 0.09 H new ATOM 0 HG21 ILE A 88 10.994 -3.456 7.259 1.00 0.14 H new ATOM 0 HG22 ILE A 88 10.874 -4.999 8.138 1.00 0.14 H new ATOM 0 HG23 ILE A 88 11.502 -4.970 6.473 1.00 0.14 H new ATOM 0 HD11 ILE A 88 9.365 -2.122 4.340 1.00 0.09 H new ATOM 0 HD12 ILE A 88 8.820 -2.067 6.033 1.00 0.09 H new ATOM 0 HD13 ILE A 88 10.530 -2.390 5.658 1.00 0.09 H new ATOM 1267 N GLN A 89 6.645 -5.990 6.705 1.00 0.11 N ATOM 1268 CA GLN A 89 5.274 -5.978 6.228 1.00 0.14 C ATOM 1269 C GLN A 89 4.443 -4.960 7.009 1.00 0.14 C ATOM 1270 O GLN A 89 4.679 -4.725 8.196 1.00 0.20 O ATOM 1271 CB GLN A 89 4.636 -7.366 6.352 1.00 0.22 C ATOM 1272 CG GLN A 89 4.518 -7.860 7.785 1.00 0.68 C ATOM 1273 CD GLN A 89 3.690 -9.121 7.901 1.00 1.04 C ATOM 1274 OE1 GLN A 89 4.213 -10.233 7.841 1.00 1.53 O ATOM 1275 NE2 GLN A 89 2.388 -8.954 8.063 1.00 1.88 N ATOM 0 H GLN A 89 6.756 -5.737 7.687 1.00 0.11 H new ATOM 0 HA GLN A 89 5.292 -5.694 5.176 1.00 0.14 H new ATOM 0 HB2 GLN A 89 3.643 -7.341 5.903 1.00 0.22 H new ATOM 0 HB3 GLN A 89 5.227 -8.080 5.779 1.00 0.22 H new ATOM 0 HG2 GLN A 89 5.515 -8.047 8.184 1.00 0.68 H new ATOM 0 HG3 GLN A 89 4.070 -7.078 8.399 1.00 0.68 H new ATOM 0 HE21 GLN A 89 1.996 -8.013 8.107 1.00 1.88 H new ATOM 0 HE22 GLN A 89 1.776 -9.766 8.144 1.00 1.88 H new ATOM 1284 N CYS A 90 3.479 -4.361 6.339 1.00 0.20 N ATOM 1285 CA CYS A 90 2.560 -3.414 6.964 1.00 0.21 C ATOM 1286 C CYS A 90 1.142 -3.696 6.502 1.00 0.23 C ATOM 1287 O CYS A 90 0.951 -4.354 5.489 1.00 0.31 O ATOM 1288 CB CYS A 90 2.963 -1.985 6.613 1.00 0.22 C ATOM 1289 SG CYS A 90 3.748 -1.840 4.979 1.00 0.97 S ATOM 0 H CYS A 90 3.306 -4.513 5.345 1.00 0.20 H new ATOM 0 HA CYS A 90 2.606 -3.529 8.047 1.00 0.21 H new ATOM 0 HB2 CYS A 90 2.079 -1.348 6.641 1.00 0.22 H new ATOM 0 HB3 CYS A 90 3.650 -1.611 7.373 1.00 0.22 H new ATOM 1294 N ASN A 91 0.156 -3.198 7.234 1.00 0.19 N ATOM 1295 CA ASN A 91 -1.244 -3.484 6.920 1.00 0.18 C ATOM 1296 C ASN A 91 -2.106 -2.231 7.066 1.00 0.16 C ATOM 1297 O ASN A 91 -2.006 -1.509 8.062 1.00 0.18 O ATOM 1298 CB ASN A 91 -1.778 -4.612 7.815 1.00 0.20 C ATOM 1299 CG ASN A 91 -1.823 -4.243 9.290 1.00 1.05 C ATOM 1300 OD1 ASN A 91 -2.829 -3.732 9.784 1.00 1.87 O ATOM 1301 ND2 ASN A 91 -0.735 -4.500 10.001 1.00 1.82 N ATOM 0 H ASN A 91 0.294 -2.597 8.046 1.00 0.19 H new ATOM 0 HA ASN A 91 -1.296 -3.811 5.881 1.00 0.18 H new ATOM 0 HB2 ASN A 91 -2.781 -4.883 7.485 1.00 0.20 H new ATOM 0 HB3 ASN A 91 -1.151 -5.494 7.688 1.00 0.20 H new ATOM 0 HD21 ASN A 91 -0.710 -4.274 10.995 1.00 1.82 H new ATOM 0 HD22 ASN A 91 0.078 -4.924 9.554 1.00 1.82 H new ATOM 1308 N LEU A 92 -2.932 -1.966 6.053 1.00 0.14 N ATOM 1309 CA LEU A 92 -3.757 -0.760 6.022 1.00 0.13 C ATOM 1310 C LEU A 92 -4.946 -0.869 6.969 1.00 0.14 C ATOM 1311 O LEU A 92 -5.578 -1.922 7.078 1.00 0.17 O ATOM 1312 CB LEU A 92 -4.264 -0.447 4.601 1.00 0.12 C ATOM 1313 CG LEU A 92 -5.505 0.452 4.531 1.00 0.11 C ATOM 1314 CD1 LEU A 92 -5.193 1.874 4.976 1.00 0.14 C ATOM 1315 CD2 LEU A 92 -6.065 0.478 3.134 1.00 0.12 C ATOM 0 H LEU A 92 -3.047 -2.573 5.241 1.00 0.14 H new ATOM 0 HA LEU A 92 -3.115 0.057 6.351 1.00 0.13 H new ATOM 0 HB2 LEU A 92 -3.458 0.030 4.042 1.00 0.12 H new ATOM 0 HB3 LEU A 92 -4.488 -1.387 4.098 1.00 0.12 H new ATOM 0 HG LEU A 92 -6.245 0.031 5.211 1.00 0.11 H new ATOM 0 HD11 LEU A 92 -6.096 2.481 4.913 1.00 0.14 H new ATOM 0 HD12 LEU A 92 -4.834 1.863 6.005 1.00 0.14 H new ATOM 0 HD13 LEU A 92 -4.425 2.298 4.329 1.00 0.14 H new ATOM 0 HD21 LEU A 92 -6.945 1.121 3.106 1.00 0.12 H new ATOM 0 HD22 LEU A 92 -5.312 0.864 2.447 1.00 0.12 H new ATOM 0 HD23 LEU A 92 -6.345 -0.532 2.835 1.00 0.12 H new ATOM 1327 N ASP A 93 -5.221 0.227 7.654 1.00 0.17 N ATOM 1328 CA ASP A 93 -6.433 0.379 8.440 1.00 0.19 C ATOM 1329 C ASP A 93 -7.525 0.967 7.561 1.00 0.17 C ATOM 1330 O ASP A 93 -7.447 2.127 7.176 1.00 0.18 O ATOM 1331 CB ASP A 93 -6.172 1.310 9.627 1.00 0.26 C ATOM 1332 CG ASP A 93 -5.155 0.750 10.595 1.00 1.08 C ATOM 1333 OD1 ASP A 93 -5.537 -0.078 11.450 1.00 1.02 O ATOM 1334 OD2 ASP A 93 -3.971 1.135 10.514 1.00 2.13 O ATOM 0 H ASP A 93 -4.607 1.041 7.681 1.00 0.17 H new ATOM 0 HA ASP A 93 -6.746 -0.595 8.816 1.00 0.19 H new ATOM 0 HB2 ASP A 93 -5.823 2.274 9.257 1.00 0.26 H new ATOM 0 HB3 ASP A 93 -7.109 1.491 10.155 1.00 0.26 H new ATOM 1339 N PRO A 94 -8.555 0.180 7.212 1.00 0.18 N ATOM 1340 CA PRO A 94 -9.638 0.641 6.331 1.00 0.19 C ATOM 1341 C PRO A 94 -10.349 1.878 6.866 1.00 0.23 C ATOM 1342 O PRO A 94 -11.032 2.588 6.130 1.00 0.27 O ATOM 1343 CB PRO A 94 -10.607 -0.545 6.280 1.00 0.24 C ATOM 1344 CG PRO A 94 -10.214 -1.430 7.409 1.00 0.40 C ATOM 1345 CD PRO A 94 -8.745 -1.218 7.622 1.00 0.21 C ATOM 0 HA PRO A 94 -9.252 0.935 5.355 1.00 0.19 H new ATOM 0 HB2 PRO A 94 -11.640 -0.212 6.384 1.00 0.24 H new ATOM 0 HB3 PRO A 94 -10.535 -1.069 5.327 1.00 0.24 H new ATOM 0 HG2 PRO A 94 -10.776 -1.184 8.310 1.00 0.40 H new ATOM 0 HG3 PRO A 94 -10.426 -2.474 7.176 1.00 0.40 H new ATOM 0 HD2 PRO A 94 -8.460 -1.377 8.662 1.00 0.21 H new ATOM 0 HD3 PRO A 94 -8.146 -1.901 7.020 1.00 0.21 H new ATOM 1353 N GLU A 95 -10.172 2.136 8.151 1.00 0.26 N ATOM 1354 CA GLU A 95 -10.727 3.300 8.790 1.00 0.34 C ATOM 1355 C GLU A 95 -9.935 4.556 8.450 1.00 0.32 C ATOM 1356 O GLU A 95 -10.220 5.635 8.961 1.00 0.46 O ATOM 1357 CB GLU A 95 -10.764 3.059 10.279 1.00 0.44 C ATOM 1358 CG GLU A 95 -12.068 2.492 10.762 1.00 0.69 C ATOM 1359 CD GLU A 95 -11.978 1.902 12.150 1.00 1.02 C ATOM 1360 OE1 GLU A 95 -11.617 2.646 13.089 1.00 1.21 O ATOM 1361 OE2 GLU A 95 -12.258 0.694 12.310 1.00 1.42 O ATOM 0 H GLU A 95 -9.635 1.536 8.777 1.00 0.26 H new ATOM 0 HA GLU A 95 -11.740 3.466 8.423 1.00 0.34 H new ATOM 0 HB2 GLU A 95 -9.958 2.376 10.549 1.00 0.44 H new ATOM 0 HB3 GLU A 95 -10.572 3.999 10.796 1.00 0.44 H new ATOM 0 HG2 GLU A 95 -12.824 3.277 10.755 1.00 0.69 H new ATOM 0 HG3 GLU A 95 -12.403 1.722 10.067 1.00 0.69 H new ATOM 1368 N THR A 96 -8.932 4.414 7.598 1.00 0.23 N ATOM 1369 CA THR A 96 -8.171 5.554 7.138 1.00 0.24 C ATOM 1370 C THR A 96 -8.584 5.958 5.722 1.00 0.23 C ATOM 1371 O THR A 96 -8.230 7.035 5.241 1.00 0.30 O ATOM 1372 CB THR A 96 -6.673 5.263 7.171 1.00 0.25 C ATOM 1373 OG1 THR A 96 -6.340 4.278 6.197 1.00 0.23 O ATOM 1374 CG2 THR A 96 -6.253 4.787 8.552 1.00 0.31 C ATOM 0 H THR A 96 -8.630 3.519 7.214 1.00 0.23 H new ATOM 0 HA THR A 96 -8.385 6.381 7.816 1.00 0.24 H new ATOM 0 HB THR A 96 -6.139 6.185 6.941 1.00 0.25 H new ATOM 0 HG1 THR A 96 -6.919 3.496 6.312 1.00 0.23 H new ATOM 0 HG21 THR A 96 -5.182 4.584 8.557 1.00 0.31 H new ATOM 0 HG22 THR A 96 -6.480 5.559 9.287 1.00 0.31 H new ATOM 0 HG23 THR A 96 -6.796 3.876 8.803 1.00 0.31 H new ATOM 1382 N VAL A 97 -9.327 5.067 5.064 1.00 0.20 N ATOM 1383 CA VAL A 97 -9.937 5.337 3.749 1.00 0.23 C ATOM 1384 C VAL A 97 -10.819 6.600 3.758 1.00 0.29 C ATOM 1385 O VAL A 97 -11.293 7.042 2.713 1.00 0.64 O ATOM 1386 CB VAL A 97 -10.780 4.124 3.275 1.00 0.28 C ATOM 1387 CG1 VAL A 97 -11.504 4.410 1.957 1.00 0.59 C ATOM 1388 CG2 VAL A 97 -9.899 2.892 3.133 1.00 0.51 C ATOM 0 H VAL A 97 -9.527 4.134 5.424 1.00 0.20 H new ATOM 0 HA VAL A 97 -9.114 5.507 3.055 1.00 0.23 H new ATOM 0 HB VAL A 97 -11.540 3.938 4.034 1.00 0.28 H new ATOM 0 HG11 VAL A 97 -12.082 3.534 1.662 1.00 0.59 H new ATOM 0 HG12 VAL A 97 -12.174 5.260 2.087 1.00 0.59 H new ATOM 0 HG13 VAL A 97 -10.772 4.640 1.182 1.00 0.59 H new ATOM 0 HG21 VAL A 97 -10.504 2.049 2.800 1.00 0.51 H new ATOM 0 HG22 VAL A 97 -9.115 3.088 2.402 1.00 0.51 H new ATOM 0 HG23 VAL A 97 -9.446 2.656 4.096 1.00 0.51 H new ATOM 1398 N LYS A 98 -11.036 7.193 4.927 1.00 0.29 N ATOM 1399 CA LYS A 98 -11.845 8.401 5.018 1.00 0.38 C ATOM 1400 C LYS A 98 -11.137 9.592 4.378 1.00 0.40 C ATOM 1401 O LYS A 98 -10.672 10.497 5.076 1.00 0.47 O ATOM 1402 CB LYS A 98 -12.212 8.747 6.462 1.00 0.55 C ATOM 1403 CG LYS A 98 -13.319 7.904 7.082 1.00 0.71 C ATOM 1404 CD LYS A 98 -12.778 6.637 7.705 1.00 0.53 C ATOM 1405 CE LYS A 98 -12.695 5.512 6.704 1.00 1.34 C ATOM 1406 NZ LYS A 98 -13.937 4.697 6.672 1.00 2.40 N ATOM 0 H LYS A 98 -10.666 6.860 5.817 1.00 0.29 H new ATOM 0 HA LYS A 98 -12.765 8.192 4.472 1.00 0.38 H new ATOM 0 HB2 LYS A 98 -11.318 8.650 7.078 1.00 0.55 H new ATOM 0 HB3 LYS A 98 -12.513 9.794 6.500 1.00 0.55 H new ATOM 0 HG2 LYS A 98 -13.839 8.489 7.841 1.00 0.71 H new ATOM 0 HG3 LYS A 98 -14.053 7.649 6.318 1.00 0.71 H new ATOM 0 HD2 LYS A 98 -11.788 6.829 8.119 1.00 0.53 H new ATOM 0 HD3 LYS A 98 -13.418 6.338 8.535 1.00 0.53 H new ATOM 0 HE2 LYS A 98 -12.507 5.923 5.712 1.00 1.34 H new ATOM 0 HE3 LYS A 98 -11.848 4.871 6.949 1.00 1.34 H new ATOM 0 HZ1 LYS A 98 -13.696 3.704 6.476 1.00 2.40 H new ATOM 0 HZ2 LYS A 98 -14.418 4.761 7.592 1.00 2.40 H new ATOM 0 HZ3 LYS A 98 -14.567 5.054 5.926 1.00 2.40 H new ATOM 1420 N LEU A 99 -11.062 9.565 3.048 1.00 0.47 N ATOM 1421 CA LEU A 99 -10.521 10.655 2.247 1.00 0.58 C ATOM 1422 C LEU A 99 -9.002 10.730 2.363 1.00 0.73 C ATOM 1423 O LEU A 99 -8.289 10.436 1.402 1.00 1.33 O ATOM 1424 CB LEU A 99 -11.176 11.980 2.632 1.00 0.53 C ATOM 1425 CG LEU A 99 -12.585 12.219 2.071 1.00 0.62 C ATOM 1426 CD1 LEU A 99 -12.586 12.113 0.554 1.00 0.80 C ATOM 1427 CD2 LEU A 99 -13.585 11.239 2.669 1.00 0.76 C ATOM 0 H LEU A 99 -11.381 8.772 2.491 1.00 0.47 H new ATOM 0 HA LEU A 99 -10.754 10.454 1.201 1.00 0.58 H new ATOM 0 HB2 LEU A 99 -11.224 12.037 3.719 1.00 0.53 H new ATOM 0 HB3 LEU A 99 -10.530 12.793 2.299 1.00 0.53 H new ATOM 0 HG LEU A 99 -12.887 13.229 2.349 1.00 0.62 H new ATOM 0 HD11 LEU A 99 -13.594 12.286 0.178 1.00 0.80 H new ATOM 0 HD12 LEU A 99 -11.910 12.859 0.137 1.00 0.80 H new ATOM 0 HD13 LEU A 99 -12.254 11.118 0.259 1.00 0.80 H new ATOM 0 HD21 LEU A 99 -14.575 11.431 2.254 1.00 0.76 H new ATOM 0 HD22 LEU A 99 -13.283 10.219 2.430 1.00 0.76 H new ATOM 0 HD23 LEU A 99 -13.615 11.364 3.751 1.00 0.76 H new ATOM 1439 N GLU A 100 -8.521 11.090 3.543 1.00 1.05 N ATOM 1440 CA GLU A 100 -7.090 11.219 3.798 1.00 1.25 C ATOM 1441 C GLU A 100 -6.864 11.615 5.251 1.00 2.09 C ATOM 1442 O GLU A 100 -5.958 11.110 5.913 1.00 2.87 O ATOM 1443 CB GLU A 100 -6.459 12.253 2.861 1.00 2.15 C ATOM 1444 CG GLU A 100 -4.946 12.334 2.953 1.00 2.70 C ATOM 1445 CD GLU A 100 -4.362 13.321 1.965 1.00 3.59 C ATOM 1446 OE1 GLU A 100 -4.238 14.515 2.311 1.00 4.09 O ATOM 1447 OE2 GLU A 100 -4.024 12.911 0.834 1.00 4.13 O ATOM 0 H GLU A 100 -9.108 11.301 4.350 1.00 1.05 H new ATOM 0 HA GLU A 100 -6.613 10.258 3.608 1.00 1.25 H new ATOM 0 HB2 GLU A 100 -6.737 12.014 1.834 1.00 2.15 H new ATOM 0 HB3 GLU A 100 -6.879 13.234 3.085 1.00 2.15 H new ATOM 0 HG2 GLU A 100 -4.661 12.624 3.964 1.00 2.70 H new ATOM 0 HG3 GLU A 100 -4.520 11.347 2.772 1.00 2.70 H new ATOM 1454 N HIS A 101 -7.692 12.525 5.743 1.00 2.68 N ATOM 1455 CA HIS A 101 -7.641 12.928 7.141 1.00 3.89 C ATOM 1456 C HIS A 101 -8.847 12.380 7.891 1.00 4.59 C ATOM 1457 O HIS A 101 -8.708 11.325 8.540 1.00 5.06 O ATOM 1458 CB HIS A 101 -7.581 14.453 7.274 1.00 4.61 C ATOM 1459 CG HIS A 101 -6.245 15.032 6.927 1.00 5.26 C ATOM 1460 ND1 HIS A 101 -5.383 15.550 7.869 1.00 5.92 N ATOM 1461 CD2 HIS A 101 -5.620 15.171 5.735 1.00 5.78 C ATOM 1462 CE1 HIS A 101 -4.288 15.979 7.272 1.00 6.69 C ATOM 1463 NE2 HIS A 101 -4.405 15.760 5.978 1.00 6.64 N ATOM 0 H HIS A 101 -8.409 12.999 5.194 1.00 2.68 H new ATOM 0 HA HIS A 101 -6.733 12.515 7.580 1.00 3.89 H new ATOM 0 HB2 HIS A 101 -8.339 14.896 6.628 1.00 4.61 H new ATOM 0 HB3 HIS A 101 -7.833 14.730 8.297 1.00 4.61 H new ATOM 0 HD2 HIS A 101 -6.006 14.874 4.771 1.00 5.78 H new ATOM 0 HE1 HIS A 101 -3.439 16.433 7.761 1.00 6.69 H new ATOM 0 HE2 HIS A 101 -3.706 15.991 5.272 1.00 6.64 H new TER 1472 HIS A 101