USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 880 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 44 GLN : amide:sc= -0.275 K(o=-0.97,f=-2.2) USER MOD Set 1.2: B 64 HIS : no HE2:sc= -0.692 K(o=-0.97,f=-5.8!) USER MOD Set 2.1: A 64 HIS : no HE2:sc= -0.721 K(o=-1,f=-5.8!) USER MOD Set 2.2: B 44 GLN : amide:sc= -0.279 K(o=-1,f=-2.4) USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -135:sc= 0.0659 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.9) USER MOD Single : A 34 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.09) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 41 TYR OH : rot -27:sc= 1.14 USER MOD Single : A 43 MET CE :methyl 161:sc= -0.847 (180deg=-1.29) USER MOD Single : A 46 MET CE :methyl -138:sc= -0.751 (180deg=-1.91) USER MOD Single : A 47 ASN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -170:sc=-0.000335 (180deg=-0.101) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0249) USER MOD Single : A 52 MET CE :methyl 171:sc= -5.3! (180deg=-5.55!) USER MOD Single : A 53 SER OG : rot -37:sc= 0.413 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot -11:sc= 0.864 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -140:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -154:sc= -2.17! (180deg=-2.85!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : B -1 SER OG : rot 180:sc= 0 USER MOD Single : B -2 GLY N :NH3+ -128:sc= 0.0476 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 170:sc= 1.11 (180deg=0.955) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 1.17 (180deg=1.17) USER MOD Single : B 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 THR OG1 : rot 180:sc= 0.00544 USER MOD Single : B 41 TYR OH : rot -29:sc= 1.15 USER MOD Single : B 43 MET CE :methyl -132:sc= -0.745 (180deg=-1.27) USER MOD Single : B 46 MET CE :methyl -140:sc= -0.762 (180deg=-1.89) USER MOD Single : B 47 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : B 49 LYS NZ :NH3+ -173:sc=-0.00461 (180deg=-0.0992) USER MOD Single : B 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0364) USER MOD Single : B 52 MET CE :methyl 177:sc= -5.68! (180deg=-5.82!) USER MOD Single : B 53 SER OG : rot -38:sc= 0.404 USER MOD Single : B 54 SER OG : rot -22:sc= 0.0188 USER MOD Single : B 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 SER OG : rot -11:sc= 0.796 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 74 SER OG : rot -140:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 MET CE :methyl -156:sc= -2.22! (180deg=-2.9!) USER MOD Single : B 81 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -9.035 -10.895 -10.778 1.00 7.36 N ATOM 2 CA GLY A -2 -8.586 -12.179 -11.367 1.00 7.04 C ATOM 3 C GLY A -2 -7.278 -12.643 -10.768 1.00 6.49 C ATOM 4 O GLY A -2 -6.949 -12.282 -9.638 1.00 6.41 O ATOM 0 H1 GLY A -2 -10.049 -10.951 -10.556 1.00 7.36 H new ATOM 0 H2 GLY A -2 -8.499 -10.707 -9.907 1.00 7.36 H new ATOM 0 H3 GLY A -2 -8.872 -10.125 -11.458 1.00 7.36 H new ATOM 0 HA2 GLY A -2 -9.350 -12.940 -11.206 1.00 7.04 H new ATOM 0 HA3 GLY A -2 -8.472 -12.065 -12.445 1.00 7.04 H new ATOM 10 N SER A -1 -6.536 -13.444 -11.518 1.00 6.40 N ATOM 11 CA SER A -1 -5.235 -13.917 -11.081 1.00 6.10 C ATOM 12 C SER A -1 -4.274 -12.742 -10.938 1.00 5.78 C ATOM 13 O SER A -1 -3.794 -12.463 -9.838 1.00 6.08 O ATOM 14 CB SER A -1 -4.693 -14.932 -12.085 1.00 6.39 C ATOM 15 OG SER A -1 -5.634 -15.968 -12.306 1.00 6.63 O ATOM 0 H SER A -1 -6.817 -13.781 -12.439 1.00 6.40 H new ATOM 0 HA SER A -1 -5.335 -14.402 -10.110 1.00 6.10 H new ATOM 0 HB2 SER A -1 -4.465 -14.433 -13.027 1.00 6.39 H new ATOM 0 HB3 SER A -1 -3.759 -15.355 -11.714 1.00 6.39 H new ATOM 0 HG SER A -1 -5.270 -16.608 -12.953 1.00 6.63 H new ATOM 21 N LYS A 32 -4.027 -12.049 -12.053 1.00 5.46 N ATOM 22 CA LYS A 32 -3.175 -10.859 -12.079 1.00 5.30 C ATOM 23 C LYS A 32 -1.712 -11.194 -11.779 1.00 4.83 C ATOM 24 O LYS A 32 -1.404 -12.045 -10.944 1.00 4.65 O ATOM 25 CB LYS A 32 -3.690 -9.806 -11.092 1.00 5.58 C ATOM 26 CG LYS A 32 -2.928 -8.495 -11.149 1.00 6.00 C ATOM 27 CD LYS A 32 -3.427 -7.524 -10.097 1.00 6.38 C ATOM 28 CE LYS A 32 -2.697 -6.197 -10.179 1.00 7.09 C ATOM 29 NZ LYS A 32 -3.238 -5.208 -9.212 1.00 7.47 N ATOM 0 H LYS A 32 -4.413 -12.298 -12.964 1.00 5.46 H new ATOM 0 HA LYS A 32 -3.219 -10.453 -13.090 1.00 5.30 H new ATOM 0 HB2 LYS A 32 -4.743 -9.613 -11.296 1.00 5.58 H new ATOM 0 HB3 LYS A 32 -3.630 -10.208 -10.081 1.00 5.58 H new ATOM 0 HG2 LYS A 32 -1.865 -8.683 -10.999 1.00 6.00 H new ATOM 0 HG3 LYS A 32 -3.037 -8.051 -12.138 1.00 6.00 H new ATOM 0 HD2 LYS A 32 -4.497 -7.361 -10.228 1.00 6.38 H new ATOM 0 HD3 LYS A 32 -3.289 -7.956 -9.106 1.00 6.38 H new ATOM 0 HE2 LYS A 32 -1.636 -6.353 -9.984 1.00 7.09 H new ATOM 0 HE3 LYS A 32 -2.780 -5.799 -11.190 1.00 7.09 H new ATOM 0 HZ1 LYS A 32 -2.630 -4.364 -9.202 1.00 7.47 H new ATOM 0 HZ2 LYS A 32 -4.202 -4.937 -9.495 1.00 7.47 H new ATOM 0 HZ3 LYS A 32 -3.261 -5.629 -8.261 1.00 7.47 H new ATOM 43 N GLU A 33 -0.810 -10.513 -12.463 1.00 4.81 N ATOM 44 CA GLU A 33 0.609 -10.717 -12.259 1.00 4.46 C ATOM 45 C GLU A 33 1.162 -9.615 -11.364 1.00 3.99 C ATOM 46 O GLU A 33 1.137 -8.437 -11.725 1.00 4.06 O ATOM 47 CB GLU A 33 1.344 -10.729 -13.601 1.00 4.70 C ATOM 48 CG GLU A 33 2.793 -11.168 -13.496 1.00 4.79 C ATOM 49 CD GLU A 33 3.502 -11.155 -14.834 1.00 4.98 C ATOM 50 OE1 GLU A 33 3.230 -12.042 -15.669 1.00 5.29 O ATOM 51 OE2 GLU A 33 4.344 -10.260 -15.055 1.00 5.18 O ATOM 0 H GLU A 33 -1.039 -9.811 -13.167 1.00 4.81 H new ATOM 0 HA GLU A 33 0.763 -11.681 -11.774 1.00 4.46 H new ATOM 0 HB2 GLU A 33 0.820 -11.395 -14.287 1.00 4.70 H new ATOM 0 HB3 GLU A 33 1.306 -9.730 -14.035 1.00 4.70 H new ATOM 0 HG2 GLU A 33 3.319 -10.511 -12.804 1.00 4.79 H new ATOM 0 HG3 GLU A 33 2.835 -12.173 -13.076 1.00 4.79 H new ATOM 58 N LYS A 34 1.636 -9.999 -10.190 1.00 3.73 N ATOM 59 CA LYS A 34 2.172 -9.041 -9.233 1.00 3.43 C ATOM 60 C LYS A 34 3.695 -8.991 -9.323 1.00 3.03 C ATOM 61 O LYS A 34 4.371 -10.001 -9.108 1.00 3.00 O ATOM 62 CB LYS A 34 1.741 -9.392 -7.802 1.00 3.71 C ATOM 63 CG LYS A 34 0.277 -9.084 -7.493 1.00 4.14 C ATOM 64 CD LYS A 34 -0.683 -10.056 -8.165 1.00 4.58 C ATOM 65 CE LYS A 34 -0.619 -11.440 -7.536 1.00 5.29 C ATOM 66 NZ LYS A 34 -1.530 -12.400 -8.211 1.00 5.78 N ATOM 0 H LYS A 34 1.661 -10.969 -9.875 1.00 3.73 H new ATOM 0 HA LYS A 34 1.770 -8.059 -9.482 1.00 3.43 H new ATOM 0 HB2 LYS A 34 1.921 -10.453 -7.631 1.00 3.71 H new ATOM 0 HB3 LYS A 34 2.371 -8.845 -7.101 1.00 3.71 H new ATOM 0 HG2 LYS A 34 0.123 -9.115 -6.414 1.00 4.14 H new ATOM 0 HG3 LYS A 34 0.047 -8.069 -7.818 1.00 4.14 H new ATOM 0 HD2 LYS A 34 -1.700 -9.671 -8.093 1.00 4.58 H new ATOM 0 HD3 LYS A 34 -0.444 -10.128 -9.226 1.00 4.58 H new ATOM 0 HE2 LYS A 34 0.404 -11.814 -7.586 1.00 5.29 H new ATOM 0 HE3 LYS A 34 -0.882 -11.371 -6.480 1.00 5.29 H new ATOM 0 HZ1 LYS A 34 -1.469 -13.326 -7.741 1.00 5.78 H new ATOM 0 HZ2 LYS A 34 -2.507 -12.048 -8.156 1.00 5.78 H new ATOM 0 HZ3 LYS A 34 -1.253 -12.499 -9.209 1.00 5.78 H new ATOM 80 N PRO A 35 4.250 -7.813 -9.665 1.00 2.87 N ATOM 81 CA PRO A 35 5.701 -7.612 -9.771 1.00 2.61 C ATOM 82 C PRO A 35 6.428 -7.959 -8.472 1.00 2.27 C ATOM 83 O PRO A 35 5.955 -7.641 -7.378 1.00 2.34 O ATOM 84 CB PRO A 35 5.839 -6.116 -10.078 1.00 2.80 C ATOM 85 CG PRO A 35 4.529 -5.724 -10.664 1.00 3.20 C ATOM 86 CD PRO A 35 3.501 -6.586 -9.988 1.00 3.15 C ATOM 0 HA PRO A 35 6.145 -8.256 -10.530 1.00 2.61 H new ATOM 0 HB2 PRO A 35 6.054 -5.545 -9.175 1.00 2.80 H new ATOM 0 HB3 PRO A 35 6.656 -5.929 -10.775 1.00 2.80 H new ATOM 0 HG2 PRO A 35 4.325 -4.667 -10.493 1.00 3.20 H new ATOM 0 HG3 PRO A 35 4.521 -5.880 -11.743 1.00 3.20 H new ATOM 0 HD2 PRO A 35 3.103 -6.110 -9.092 1.00 3.15 H new ATOM 0 HD3 PRO A 35 2.654 -6.792 -10.643 1.00 3.15 H new ATOM 94 N LYS A 36 7.578 -8.610 -8.606 1.00 2.07 N ATOM 95 CA LYS A 36 8.340 -9.075 -7.453 1.00 1.82 C ATOM 96 C LYS A 36 9.015 -7.918 -6.727 1.00 1.56 C ATOM 97 O LYS A 36 9.600 -7.033 -7.356 1.00 1.53 O ATOM 98 CB LYS A 36 9.401 -10.091 -7.881 1.00 1.80 C ATOM 99 CG LYS A 36 10.317 -9.596 -8.991 1.00 2.24 C ATOM 100 CD LYS A 36 11.468 -10.555 -9.244 1.00 2.52 C ATOM 101 CE LYS A 36 12.389 -10.657 -8.037 1.00 3.04 C ATOM 102 NZ LYS A 36 13.550 -11.546 -8.298 1.00 3.62 N ATOM 0 H LYS A 36 8.005 -8.829 -9.506 1.00 2.07 H new ATOM 0 HA LYS A 36 7.635 -9.551 -6.771 1.00 1.82 H new ATOM 0 HB2 LYS A 36 10.007 -10.356 -7.014 1.00 1.80 H new ATOM 0 HB3 LYS A 36 8.904 -11.003 -8.213 1.00 1.80 H new ATOM 0 HG2 LYS A 36 9.741 -9.470 -9.908 1.00 2.24 H new ATOM 0 HG3 LYS A 36 10.713 -8.616 -8.725 1.00 2.24 H new ATOM 0 HD2 LYS A 36 11.073 -11.542 -9.485 1.00 2.52 H new ATOM 0 HD3 LYS A 36 12.038 -10.219 -10.110 1.00 2.52 H new ATOM 0 HE2 LYS A 36 12.746 -9.663 -7.768 1.00 3.04 H new ATOM 0 HE3 LYS A 36 11.827 -11.035 -7.183 1.00 3.04 H new ATOM 0 HZ1 LYS A 36 14.152 -11.588 -7.451 1.00 3.62 H new ATOM 0 HZ2 LYS A 36 13.211 -12.501 -8.529 1.00 3.62 H new ATOM 0 HZ3 LYS A 36 14.101 -11.172 -9.097 1.00 3.62 H new ATOM 116 N PRO A 37 8.934 -7.906 -5.391 1.00 1.50 N ATOM 117 CA PRO A 37 9.612 -6.907 -4.565 1.00 1.33 C ATOM 118 C PRO A 37 11.130 -7.072 -4.616 1.00 1.14 C ATOM 119 O PRO A 37 11.643 -8.190 -4.586 1.00 1.27 O ATOM 120 CB PRO A 37 9.084 -7.186 -3.158 1.00 1.52 C ATOM 121 CG PRO A 37 8.659 -8.611 -3.182 1.00 1.74 C ATOM 122 CD PRO A 37 8.165 -8.865 -4.575 1.00 1.75 C ATOM 0 HA PRO A 37 9.419 -5.889 -4.902 1.00 1.33 H new ATOM 0 HB2 PRO A 37 9.855 -7.017 -2.406 1.00 1.52 H new ATOM 0 HB3 PRO A 37 8.249 -6.529 -2.912 1.00 1.52 H new ATOM 0 HG2 PRO A 37 9.490 -9.271 -2.935 1.00 1.74 H new ATOM 0 HG3 PRO A 37 7.875 -8.798 -2.448 1.00 1.74 H new ATOM 0 HD2 PRO A 37 8.348 -9.894 -4.885 1.00 1.75 H new ATOM 0 HD3 PRO A 37 7.092 -8.693 -4.658 1.00 1.75 H new ATOM 130 N THR A 38 11.836 -5.958 -4.719 1.00 0.97 N ATOM 131 CA THR A 38 13.288 -5.968 -4.806 1.00 0.83 C ATOM 132 C THR A 38 13.881 -4.951 -3.831 1.00 0.72 C ATOM 133 O THR A 38 13.139 -4.143 -3.268 1.00 0.65 O ATOM 134 CB THR A 38 13.742 -5.633 -6.242 1.00 0.79 C ATOM 135 OG1 THR A 38 13.156 -4.388 -6.655 1.00 0.85 O ATOM 136 CG2 THR A 38 13.344 -6.738 -7.214 1.00 0.95 C ATOM 0 H THR A 38 11.422 -5.026 -4.745 1.00 0.97 H new ATOM 0 HA THR A 38 13.642 -6.965 -4.545 1.00 0.83 H new ATOM 0 HB THR A 38 14.829 -5.548 -6.248 1.00 0.79 H new ATOM 0 HG1 THR A 38 13.447 -4.176 -7.567 1.00 0.85 H new ATOM 0 HG21 THR A 38 13.676 -6.476 -8.219 1.00 0.95 H new ATOM 0 HG22 THR A 38 13.811 -7.675 -6.910 1.00 0.95 H new ATOM 0 HG23 THR A 38 12.260 -6.854 -7.209 1.00 0.95 H new ATOM 144 N PRO A 39 15.206 -4.966 -3.587 1.00 0.74 N ATOM 145 CA PRO A 39 15.843 -3.959 -2.736 1.00 0.70 C ATOM 146 C PRO A 39 15.555 -2.541 -3.214 1.00 0.62 C ATOM 147 O PRO A 39 15.235 -1.669 -2.414 1.00 0.56 O ATOM 148 CB PRO A 39 17.330 -4.267 -2.853 1.00 0.78 C ATOM 149 CG PRO A 39 17.389 -5.712 -3.219 1.00 0.87 C ATOM 150 CD PRO A 39 16.175 -5.968 -4.072 1.00 0.83 C ATOM 0 HA PRO A 39 15.472 -4.002 -1.712 1.00 0.70 H new ATOM 0 HB2 PRO A 39 17.805 -3.646 -3.613 1.00 0.78 H new ATOM 0 HB3 PRO A 39 17.849 -4.075 -1.914 1.00 0.78 H new ATOM 0 HG2 PRO A 39 18.305 -5.940 -3.764 1.00 0.87 H new ATOM 0 HG3 PRO A 39 17.382 -6.342 -2.329 1.00 0.87 H new ATOM 0 HD2 PRO A 39 16.393 -5.838 -5.132 1.00 0.83 H new ATOM 0 HD3 PRO A 39 15.801 -6.984 -3.946 1.00 0.83 H new ATOM 158 N ASP A 40 15.650 -2.321 -4.524 1.00 0.66 N ATOM 159 CA ASP A 40 15.344 -1.014 -5.111 1.00 0.64 C ATOM 160 C ASP A 40 13.919 -0.603 -4.767 1.00 0.58 C ATOM 161 O ASP A 40 13.661 0.537 -4.381 1.00 0.58 O ATOM 162 CB ASP A 40 15.515 -1.046 -6.631 1.00 0.72 C ATOM 163 CG ASP A 40 16.957 -1.231 -7.056 1.00 1.44 C ATOM 164 OD1 ASP A 40 17.438 -2.382 -7.057 1.00 2.22 O ATOM 165 OD2 ASP A 40 17.616 -0.228 -7.398 1.00 2.15 O ATOM 0 H ASP A 40 15.936 -3.029 -5.200 1.00 0.66 H new ATOM 0 HA ASP A 40 16.041 -0.286 -4.696 1.00 0.64 H new ATOM 0 HB2 ASP A 40 14.913 -1.856 -7.043 1.00 0.72 H new ATOM 0 HB3 ASP A 40 15.132 -0.117 -7.055 1.00 0.72 H new ATOM 170 N TYR A 41 13.005 -1.558 -4.885 1.00 0.57 N ATOM 171 CA TYR A 41 11.608 -1.360 -4.518 1.00 0.54 C ATOM 172 C TYR A 41 11.499 -0.950 -3.052 1.00 0.46 C ATOM 173 O TYR A 41 10.687 -0.100 -2.688 1.00 0.43 O ATOM 174 CB TYR A 41 10.839 -2.658 -4.769 1.00 0.61 C ATOM 175 CG TYR A 41 9.344 -2.568 -4.569 1.00 0.63 C ATOM 176 CD1 TYR A 41 8.774 -2.842 -3.337 1.00 0.64 C ATOM 177 CD2 TYR A 41 8.504 -2.237 -5.619 1.00 0.83 C ATOM 178 CE1 TYR A 41 7.403 -2.789 -3.155 1.00 0.69 C ATOM 179 CE2 TYR A 41 7.137 -2.175 -5.445 1.00 0.88 C ATOM 180 CZ TYR A 41 6.590 -2.455 -4.215 1.00 0.73 C ATOM 181 OH TYR A 41 5.226 -2.402 -4.050 1.00 0.81 O ATOM 0 H TYR A 41 13.211 -2.492 -5.238 1.00 0.57 H new ATOM 0 HA TYR A 41 11.180 -0.562 -5.125 1.00 0.54 H new ATOM 0 HB2 TYR A 41 11.034 -2.986 -5.790 1.00 0.61 H new ATOM 0 HB3 TYR A 41 11.233 -3.429 -4.106 1.00 0.61 H new ATOM 0 HD1 TYR A 41 9.410 -3.102 -2.504 1.00 0.64 H new ATOM 0 HD2 TYR A 41 8.926 -2.024 -6.590 1.00 0.83 H new ATOM 0 HE1 TYR A 41 6.974 -3.008 -2.188 1.00 0.69 H new ATOM 0 HE2 TYR A 41 6.498 -1.907 -6.273 1.00 0.88 H new ATOM 0 HH TYR A 41 4.959 -3.013 -3.332 1.00 0.81 H new ATOM 191 N LEU A 42 12.357 -1.536 -2.225 1.00 0.44 N ATOM 192 CA LEU A 42 12.345 -1.279 -0.793 1.00 0.39 C ATOM 193 C LEU A 42 13.006 0.056 -0.468 1.00 0.37 C ATOM 194 O LEU A 42 12.658 0.704 0.517 1.00 0.34 O ATOM 195 CB LEU A 42 13.053 -2.410 -0.040 1.00 0.43 C ATOM 196 CG LEU A 42 13.145 -2.225 1.477 1.00 0.41 C ATOM 197 CD1 LEU A 42 11.761 -2.106 2.090 1.00 0.37 C ATOM 198 CD2 LEU A 42 13.912 -3.375 2.109 1.00 0.48 C ATOM 0 H LEU A 42 13.074 -2.196 -2.526 1.00 0.44 H new ATOM 0 HA LEU A 42 11.305 -1.234 -0.471 1.00 0.39 H new ATOM 0 HB2 LEU A 42 12.530 -3.344 -0.245 1.00 0.43 H new ATOM 0 HB3 LEU A 42 14.062 -2.515 -0.439 1.00 0.43 H new ATOM 0 HG LEU A 42 13.686 -1.300 1.675 1.00 0.41 H new ATOM 0 HD11 LEU A 42 11.851 -1.975 3.168 1.00 0.37 H new ATOM 0 HD12 LEU A 42 11.246 -1.246 1.662 1.00 0.37 H new ATOM 0 HD13 LEU A 42 11.191 -3.011 1.880 1.00 0.37 H new ATOM 0 HD21 LEU A 42 13.967 -3.226 3.187 1.00 0.48 H new ATOM 0 HD22 LEU A 42 13.400 -4.314 1.898 1.00 0.48 H new ATOM 0 HD23 LEU A 42 14.920 -3.411 1.696 1.00 0.48 H new ATOM 210 N MET A 43 13.934 0.495 -1.311 1.00 0.40 N ATOM 211 CA MET A 43 14.669 1.721 -1.040 1.00 0.40 C ATOM 212 C MET A 43 13.784 2.905 -1.378 1.00 0.37 C ATOM 213 O MET A 43 13.793 3.931 -0.696 1.00 0.36 O ATOM 214 CB MET A 43 15.962 1.800 -1.859 1.00 0.47 C ATOM 215 CG MET A 43 16.954 0.671 -1.603 1.00 0.63 C ATOM 216 SD MET A 43 17.430 0.506 0.131 1.00 0.85 S ATOM 217 CE MET A 43 16.378 -0.852 0.644 1.00 0.55 C ATOM 0 H MET A 43 14.192 0.025 -2.179 1.00 0.40 H new ATOM 0 HA MET A 43 14.943 1.733 0.015 1.00 0.40 H new ATOM 0 HB2 MET A 43 15.704 1.804 -2.918 1.00 0.47 H new ATOM 0 HB3 MET A 43 16.452 2.750 -1.646 1.00 0.47 H new ATOM 0 HG2 MET A 43 16.518 -0.269 -1.942 1.00 0.63 H new ATOM 0 HG3 MET A 43 17.849 0.842 -2.202 1.00 0.63 H new ATOM 0 HE1 MET A 43 16.774 -1.294 1.558 1.00 0.55 H new ATOM 0 HE2 MET A 43 15.369 -0.482 0.827 1.00 0.55 H new ATOM 0 HE3 MET A 43 16.350 -1.607 -0.141 1.00 0.55 H new ATOM 227 N GLN A 44 13.015 2.737 -2.443 1.00 0.36 N ATOM 228 CA GLN A 44 12.048 3.735 -2.859 1.00 0.35 C ATOM 229 C GLN A 44 10.917 3.829 -1.844 1.00 0.30 C ATOM 230 O GLN A 44 10.396 4.910 -1.582 1.00 0.30 O ATOM 231 CB GLN A 44 11.487 3.383 -4.233 1.00 0.42 C ATOM 232 CG GLN A 44 12.536 3.365 -5.330 1.00 0.52 C ATOM 233 CD GLN A 44 12.019 2.743 -6.610 1.00 0.64 C ATOM 234 OE1 GLN A 44 10.825 2.801 -6.903 1.00 0.91 O ATOM 235 NE2 GLN A 44 12.912 2.137 -7.374 1.00 0.75 N ATOM 0 H GLN A 44 13.045 1.909 -3.039 1.00 0.36 H new ATOM 0 HA GLN A 44 12.549 4.701 -2.918 1.00 0.35 H new ATOM 0 HB2 GLN A 44 11.010 2.404 -4.182 1.00 0.42 H new ATOM 0 HB3 GLN A 44 10.711 4.103 -4.495 1.00 0.42 H new ATOM 0 HG2 GLN A 44 12.865 4.384 -5.531 1.00 0.52 H new ATOM 0 HG3 GLN A 44 13.409 2.810 -4.986 1.00 0.52 H new ATOM 0 HE21 GLN A 44 13.892 2.113 -7.092 1.00 0.75 H new ATOM 0 HE22 GLN A 44 12.621 1.694 -8.245 1.00 0.75 H new ATOM 244 N LEU A 45 10.539 2.686 -1.272 1.00 0.27 N ATOM 245 CA LEU A 45 9.513 2.657 -0.241 1.00 0.25 C ATOM 246 C LEU A 45 9.913 3.471 0.971 1.00 0.23 C ATOM 247 O LEU A 45 9.063 4.094 1.603 1.00 0.23 O ATOM 248 CB LEU A 45 9.205 1.222 0.181 1.00 0.29 C ATOM 249 CG LEU A 45 8.132 0.516 -0.644 1.00 0.32 C ATOM 250 CD1 LEU A 45 7.989 -0.931 -0.203 1.00 0.38 C ATOM 251 CD2 LEU A 45 6.803 1.242 -0.506 1.00 0.31 C ATOM 0 H LEU A 45 10.929 1.773 -1.507 1.00 0.27 H new ATOM 0 HA LEU A 45 8.616 3.103 -0.671 1.00 0.25 H new ATOM 0 HB2 LEU A 45 10.124 0.639 0.126 1.00 0.29 H new ATOM 0 HB3 LEU A 45 8.893 1.227 1.225 1.00 0.29 H new ATOM 0 HG LEU A 45 8.433 0.530 -1.691 1.00 0.32 H new ATOM 0 HD11 LEU A 45 7.220 -1.419 -0.801 1.00 0.38 H new ATOM 0 HD12 LEU A 45 8.938 -1.449 -0.340 1.00 0.38 H new ATOM 0 HD13 LEU A 45 7.706 -0.964 0.849 1.00 0.38 H new ATOM 0 HD21 LEU A 45 6.045 0.730 -1.099 1.00 0.31 H new ATOM 0 HD22 LEU A 45 6.500 1.251 0.541 1.00 0.31 H new ATOM 0 HD23 LEU A 45 6.910 2.267 -0.861 1.00 0.31 H new ATOM 263 N MET A 46 11.197 3.470 1.299 1.00 0.26 N ATOM 264 CA MET A 46 11.676 4.273 2.407 1.00 0.28 C ATOM 265 C MET A 46 11.387 5.740 2.121 1.00 0.27 C ATOM 266 O MET A 46 10.803 6.441 2.948 1.00 0.41 O ATOM 267 CB MET A 46 13.172 4.056 2.651 1.00 0.33 C ATOM 268 CG MET A 46 13.528 2.621 3.009 1.00 0.39 C ATOM 269 SD MET A 46 15.214 2.450 3.634 1.00 0.49 S ATOM 270 CE MET A 46 16.162 3.163 2.290 1.00 0.49 C ATOM 0 H MET A 46 11.916 2.928 0.819 1.00 0.26 H new ATOM 0 HA MET A 46 11.154 3.967 3.313 1.00 0.28 H new ATOM 0 HB2 MET A 46 13.723 4.346 1.757 1.00 0.33 H new ATOM 0 HB3 MET A 46 13.500 4.715 3.455 1.00 0.33 H new ATOM 0 HG2 MET A 46 12.828 2.255 3.761 1.00 0.39 H new ATOM 0 HG3 MET A 46 13.407 1.991 2.128 1.00 0.39 H new ATOM 0 HE1 MET A 46 17.047 2.554 2.106 1.00 0.49 H new ATOM 0 HE2 MET A 46 15.549 3.194 1.389 1.00 0.49 H new ATOM 0 HE3 MET A 46 16.467 4.175 2.557 1.00 0.49 H new ATOM 280 N ASN A 47 11.819 6.200 0.947 1.00 0.24 N ATOM 281 CA ASN A 47 11.487 7.537 0.457 1.00 0.30 C ATOM 282 C ASN A 47 9.991 7.845 0.542 1.00 0.26 C ATOM 283 O ASN A 47 9.615 8.905 1.037 1.00 0.27 O ATOM 284 CB ASN A 47 11.962 7.688 -0.991 1.00 0.42 C ATOM 285 CG ASN A 47 11.717 9.076 -1.563 1.00 0.80 C ATOM 286 OD1 ASN A 47 11.883 10.108 -0.745 1.00 1.61 O flip ATOM 287 ND2 ASN A 47 11.409 9.219 -2.746 1.00 1.42 N flip ATOM 0 H ASN A 47 12.406 5.659 0.312 1.00 0.24 H new ATOM 0 HA ASN A 47 11.999 8.251 1.102 1.00 0.30 H new ATOM 0 HB2 ASN A 47 13.028 7.465 -1.042 1.00 0.42 H new ATOM 0 HB3 ASN A 47 11.452 6.951 -1.612 1.00 0.42 H new ATOM 0 HD21 ASN A 47 11.290 8.402 -3.344 1.00 1.42 H new ATOM 0 HD22 ASN A 47 11.273 10.155 -3.128 1.00 1.42 H new ATOM 294 N ASP A 48 9.138 6.919 0.102 1.00 0.24 N ATOM 295 CA ASP A 48 7.696 7.179 0.064 1.00 0.24 C ATOM 296 C ASP A 48 7.151 7.306 1.480 1.00 0.25 C ATOM 297 O ASP A 48 6.414 8.243 1.800 1.00 0.30 O ATOM 298 CB ASP A 48 6.943 6.050 -0.656 1.00 0.25 C ATOM 299 CG ASP A 48 7.083 6.072 -2.168 1.00 0.29 C ATOM 300 OD1 ASP A 48 7.311 7.159 -2.742 1.00 0.93 O ATOM 301 OD2 ASP A 48 6.922 5.003 -2.800 1.00 0.74 O ATOM 0 H ASP A 48 9.414 5.994 -0.229 1.00 0.24 H new ATOM 0 HA ASP A 48 7.544 8.109 -0.483 1.00 0.24 H new ATOM 0 HB2 ASP A 48 7.305 5.092 -0.283 1.00 0.25 H new ATOM 0 HB3 ASP A 48 5.885 6.113 -0.400 1.00 0.25 H new ATOM 306 N LYS A 49 7.523 6.340 2.311 1.00 0.22 N ATOM 307 CA LYS A 49 7.140 6.305 3.715 1.00 0.27 C ATOM 308 C LYS A 49 7.481 7.619 4.405 1.00 0.32 C ATOM 309 O LYS A 49 6.652 8.178 5.130 1.00 0.44 O ATOM 310 CB LYS A 49 7.865 5.141 4.405 1.00 0.31 C ATOM 311 CG LYS A 49 7.184 4.608 5.662 1.00 0.59 C ATOM 312 CD LYS A 49 7.238 5.606 6.811 1.00 0.92 C ATOM 313 CE LYS A 49 6.710 5.008 8.106 1.00 1.45 C ATOM 314 NZ LYS A 49 5.319 4.510 7.962 1.00 2.10 N ATOM 0 H LYS A 49 8.104 5.552 2.026 1.00 0.22 H new ATOM 0 HA LYS A 49 6.062 6.160 3.785 1.00 0.27 H new ATOM 0 HB2 LYS A 49 7.967 4.323 3.692 1.00 0.31 H new ATOM 0 HB3 LYS A 49 8.873 5.465 4.666 1.00 0.31 H new ATOM 0 HG2 LYS A 49 6.144 4.371 5.437 1.00 0.59 H new ATOM 0 HG3 LYS A 49 7.664 3.678 5.967 1.00 0.59 H new ATOM 0 HD2 LYS A 49 8.266 5.937 6.957 1.00 0.92 H new ATOM 0 HD3 LYS A 49 6.653 6.489 6.553 1.00 0.92 H new ATOM 0 HE2 LYS A 49 7.358 4.189 8.418 1.00 1.45 H new ATOM 0 HE3 LYS A 49 6.746 5.760 8.894 1.00 1.45 H new ATOM 0 HZ1 LYS A 49 4.938 4.268 8.899 1.00 2.10 H new ATOM 0 HZ2 LYS A 49 4.729 5.249 7.529 1.00 2.10 H new ATOM 0 HZ3 LYS A 49 5.314 3.664 7.357 1.00 2.10 H new ATOM 328 N LYS A 50 8.678 8.134 4.160 1.00 0.30 N ATOM 329 CA LYS A 50 9.146 9.312 4.862 1.00 0.37 C ATOM 330 C LYS A 50 8.546 10.566 4.240 1.00 0.39 C ATOM 331 O LYS A 50 8.226 11.521 4.945 1.00 0.43 O ATOM 332 CB LYS A 50 10.678 9.364 4.830 1.00 0.42 C ATOM 333 CG LYS A 50 11.278 10.528 5.603 1.00 1.14 C ATOM 334 CD LYS A 50 12.780 10.365 5.789 1.00 1.67 C ATOM 335 CE LYS A 50 13.523 10.307 4.461 1.00 2.35 C ATOM 336 NZ LYS A 50 13.442 11.589 3.711 1.00 3.05 N ATOM 0 H LYS A 50 9.338 7.753 3.482 1.00 0.30 H new ATOM 0 HA LYS A 50 8.825 9.262 5.902 1.00 0.37 H new ATOM 0 HB2 LYS A 50 11.071 8.432 5.236 1.00 0.42 H new ATOM 0 HB3 LYS A 50 11.007 9.423 3.792 1.00 0.42 H new ATOM 0 HG2 LYS A 50 11.076 11.459 5.074 1.00 1.14 H new ATOM 0 HG3 LYS A 50 10.797 10.604 6.578 1.00 1.14 H new ATOM 0 HD2 LYS A 50 13.163 11.196 6.381 1.00 1.67 H new ATOM 0 HD3 LYS A 50 12.977 9.454 6.354 1.00 1.67 H new ATOM 0 HE2 LYS A 50 14.569 10.061 4.643 1.00 2.35 H new ATOM 0 HE3 LYS A 50 13.109 9.505 3.850 1.00 2.35 H new ATOM 0 HZ1 LYS A 50 14.045 11.535 2.865 1.00 3.05 H new ATOM 0 HZ2 LYS A 50 12.457 11.762 3.424 1.00 3.05 H new ATOM 0 HZ3 LYS A 50 13.767 12.368 4.319 1.00 3.05 H new ATOM 350 N LEU A 51 8.416 10.565 2.916 1.00 0.38 N ATOM 351 CA LEU A 51 7.754 11.655 2.211 1.00 0.44 C ATOM 352 C LEU A 51 6.332 11.852 2.730 1.00 0.42 C ATOM 353 O LEU A 51 5.914 12.986 2.965 1.00 0.47 O ATOM 354 CB LEU A 51 7.757 11.397 0.699 1.00 0.48 C ATOM 355 CG LEU A 51 7.570 12.637 -0.185 1.00 0.70 C ATOM 356 CD1 LEU A 51 8.153 12.389 -1.564 1.00 1.10 C ATOM 357 CD2 LEU A 51 6.099 13.011 -0.305 1.00 1.22 C ATOM 0 H LEU A 51 8.761 9.820 2.311 1.00 0.38 H new ATOM 0 HA LEU A 51 8.309 12.574 2.400 1.00 0.44 H new ATOM 0 HB2 LEU A 51 8.700 10.921 0.432 1.00 0.48 H new ATOM 0 HB3 LEU A 51 6.964 10.685 0.468 1.00 0.48 H new ATOM 0 HG LEU A 51 8.096 13.467 0.286 1.00 0.70 H new ATOM 0 HD11 LEU A 51 8.014 13.276 -2.182 1.00 1.10 H new ATOM 0 HD12 LEU A 51 9.217 12.171 -1.475 1.00 1.10 H new ATOM 0 HD13 LEU A 51 7.647 11.542 -2.026 1.00 1.10 H new ATOM 0 HD21 LEU A 51 5.998 13.893 -0.937 1.00 1.22 H new ATOM 0 HD22 LEU A 51 5.548 12.182 -0.749 1.00 1.22 H new ATOM 0 HD23 LEU A 51 5.696 13.226 0.685 1.00 1.22 H new ATOM 369 N MET A 52 5.586 10.760 2.927 1.00 0.39 N ATOM 370 CA MET A 52 4.266 10.862 3.539 1.00 0.37 C ATOM 371 C MET A 52 4.373 11.493 4.920 1.00 0.41 C ATOM 372 O MET A 52 3.575 12.350 5.285 1.00 0.47 O ATOM 373 CB MET A 52 3.587 9.492 3.638 1.00 0.33 C ATOM 374 CG MET A 52 2.960 9.024 2.350 1.00 1.29 C ATOM 375 SD MET A 52 2.036 7.492 2.550 1.00 1.25 S ATOM 376 CE MET A 52 3.359 6.345 2.914 1.00 0.31 C ATOM 0 H MET A 52 5.871 9.813 2.675 1.00 0.39 H new ATOM 0 HA MET A 52 3.651 11.497 2.901 1.00 0.37 H new ATOM 0 HB2 MET A 52 4.323 8.756 3.960 1.00 0.33 H new ATOM 0 HB3 MET A 52 2.819 9.534 4.410 1.00 0.33 H new ATOM 0 HG2 MET A 52 2.294 9.799 1.971 1.00 1.29 H new ATOM 0 HG3 MET A 52 3.739 8.879 1.602 1.00 1.29 H new ATOM 0 HE1 MET A 52 2.937 5.388 3.220 1.00 0.31 H new ATOM 0 HE2 MET A 52 3.973 6.203 2.024 1.00 0.31 H new ATOM 0 HE3 MET A 52 3.975 6.744 3.720 1.00 0.31 H new ATOM 386 N SER A 53 5.404 11.112 5.657 1.00 0.40 N ATOM 387 CA SER A 53 5.606 11.610 7.011 1.00 0.47 C ATOM 388 C SER A 53 6.196 13.027 6.994 1.00 0.50 C ATOM 389 O SER A 53 6.501 13.594 8.043 1.00 0.62 O ATOM 390 CB SER A 53 6.518 10.655 7.788 1.00 0.52 C ATOM 391 OG SER A 53 6.563 10.986 9.166 1.00 1.15 O ATOM 0 H SER A 53 6.118 10.456 5.340 1.00 0.40 H new ATOM 0 HA SER A 53 4.638 11.658 7.510 1.00 0.47 H new ATOM 0 HB2 SER A 53 6.161 9.632 7.670 1.00 0.52 H new ATOM 0 HB3 SER A 53 7.524 10.691 7.371 1.00 0.52 H new ATOM 0 HG SER A 53 6.543 11.960 9.269 1.00 1.15 H new ATOM 397 N SER A 54 6.344 13.596 5.801 1.00 0.49 N ATOM 398 CA SER A 54 6.866 14.946 5.648 1.00 0.53 C ATOM 399 C SER A 54 5.703 15.882 5.348 1.00 0.53 C ATOM 400 O SER A 54 5.820 17.106 5.417 1.00 0.53 O ATOM 401 CB SER A 54 7.902 14.988 4.514 1.00 0.60 C ATOM 402 OG SER A 54 8.445 16.290 4.342 1.00 1.30 O ATOM 0 H SER A 54 6.107 13.137 4.921 1.00 0.49 H new ATOM 0 HA SER A 54 7.362 15.262 6.566 1.00 0.53 H new ATOM 0 HB2 SER A 54 8.706 14.285 4.730 1.00 0.60 H new ATOM 0 HB3 SER A 54 7.436 14.663 3.584 1.00 0.60 H new ATOM 0 HG SER A 54 9.101 16.277 3.614 1.00 1.30 H new ATOM 408 N LEU A 55 4.571 15.275 5.025 1.00 0.54 N ATOM 409 CA LEU A 55 3.362 16.012 4.728 1.00 0.57 C ATOM 410 C LEU A 55 2.612 16.300 6.021 1.00 0.65 C ATOM 411 O LEU A 55 2.292 15.382 6.777 1.00 0.65 O ATOM 412 CB LEU A 55 2.477 15.222 3.757 1.00 0.51 C ATOM 413 CG LEU A 55 3.139 14.852 2.426 1.00 0.53 C ATOM 414 CD1 LEU A 55 2.176 14.066 1.552 1.00 0.56 C ATOM 415 CD2 LEU A 55 3.619 16.098 1.698 1.00 0.64 C ATOM 0 H LEU A 55 4.469 14.262 4.963 1.00 0.54 H new ATOM 0 HA LEU A 55 3.627 16.956 4.252 1.00 0.57 H new ATOM 0 HB2 LEU A 55 2.152 14.306 4.250 1.00 0.51 H new ATOM 0 HB3 LEU A 55 1.581 15.807 3.549 1.00 0.51 H new ATOM 0 HG LEU A 55 4.005 14.225 2.639 1.00 0.53 H new ATOM 0 HD11 LEU A 55 2.663 13.812 0.611 1.00 0.56 H new ATOM 0 HD12 LEU A 55 1.881 13.151 2.067 1.00 0.56 H new ATOM 0 HD13 LEU A 55 1.291 14.670 1.351 1.00 0.56 H new ATOM 0 HD21 LEU A 55 4.086 15.812 0.756 1.00 0.64 H new ATOM 0 HD22 LEU A 55 2.770 16.752 1.499 1.00 0.64 H new ATOM 0 HD23 LEU A 55 4.345 16.624 2.317 1.00 0.64 H new ATOM 427 N PRO A 56 2.315 17.577 6.292 1.00 0.81 N ATOM 428 CA PRO A 56 1.678 17.986 7.541 1.00 0.94 C ATOM 429 C PRO A 56 0.192 17.664 7.551 1.00 0.88 C ATOM 430 O PRO A 56 -0.499 17.869 8.547 1.00 1.19 O ATOM 431 CB PRO A 56 1.906 19.493 7.575 1.00 1.14 C ATOM 432 CG PRO A 56 2.000 19.901 6.146 1.00 1.26 C ATOM 433 CD PRO A 56 2.556 18.719 5.394 1.00 0.98 C ATOM 0 HA PRO A 56 2.088 17.466 8.407 1.00 0.94 H new ATOM 0 HB2 PRO A 56 1.086 20.005 8.078 1.00 1.14 H new ATOM 0 HB3 PRO A 56 2.818 19.742 8.117 1.00 1.14 H new ATOM 0 HG2 PRO A 56 1.020 20.181 5.758 1.00 1.26 H new ATOM 0 HG3 PRO A 56 2.647 20.771 6.034 1.00 1.26 H new ATOM 0 HD2 PRO A 56 2.055 18.585 4.435 1.00 0.98 H new ATOM 0 HD3 PRO A 56 3.618 18.844 5.184 1.00 0.98 H new ATOM 441 N ASN A 57 -0.292 17.147 6.432 1.00 0.63 N ATOM 442 CA ASN A 57 -1.688 16.774 6.315 1.00 0.62 C ATOM 443 C ASN A 57 -1.830 15.261 6.341 1.00 0.57 C ATOM 444 O ASN A 57 -2.934 14.726 6.236 1.00 0.59 O ATOM 445 CB ASN A 57 -2.304 17.344 5.033 1.00 0.68 C ATOM 446 CG ASN A 57 -2.389 18.859 5.053 1.00 1.32 C ATOM 447 OD1 ASN A 57 -3.358 19.434 5.549 1.00 2.22 O ATOM 448 ND2 ASN A 57 -1.383 19.516 4.502 1.00 1.73 N ATOM 0 H ASN A 57 0.264 16.977 5.594 1.00 0.63 H new ATOM 0 HA ASN A 57 -2.226 17.195 7.165 1.00 0.62 H new ATOM 0 HB2 ASN A 57 -1.709 17.028 4.176 1.00 0.68 H new ATOM 0 HB3 ASN A 57 -3.303 16.929 4.898 1.00 0.68 H new ATOM 0 HD21 ASN A 57 -1.392 20.536 4.478 1.00 1.73 H new ATOM 0 HD22 ASN A 57 -0.598 19.003 4.101 1.00 1.73 H new ATOM 455 N PHE A 58 -0.702 14.568 6.496 1.00 0.62 N ATOM 456 CA PHE A 58 -0.700 13.113 6.561 1.00 0.70 C ATOM 457 C PHE A 58 -1.083 12.664 7.958 1.00 0.90 C ATOM 458 O PHE A 58 -0.267 12.155 8.729 1.00 1.77 O ATOM 459 CB PHE A 58 0.666 12.567 6.200 1.00 0.69 C ATOM 460 CG PHE A 58 0.708 11.073 6.038 1.00 0.65 C ATOM 461 CD1 PHE A 58 -0.023 10.449 5.041 1.00 0.89 C ATOM 462 CD2 PHE A 58 1.489 10.298 6.877 1.00 1.13 C ATOM 463 CE1 PHE A 58 0.025 9.078 4.886 1.00 0.90 C ATOM 464 CE2 PHE A 58 1.539 8.927 6.728 1.00 1.15 C ATOM 465 CZ PHE A 58 0.806 8.317 5.730 1.00 0.69 C ATOM 0 H PHE A 58 0.221 14.994 6.579 1.00 0.62 H new ATOM 0 HA PHE A 58 -1.427 12.729 5.845 1.00 0.70 H new ATOM 0 HB2 PHE A 58 0.997 13.032 5.271 1.00 0.69 H new ATOM 0 HB3 PHE A 58 1.377 12.858 6.973 1.00 0.69 H new ATOM 0 HD1 PHE A 58 -0.637 11.041 4.378 1.00 0.89 H new ATOM 0 HD2 PHE A 58 2.066 10.772 7.657 1.00 1.13 H new ATOM 0 HE1 PHE A 58 -0.549 8.602 4.104 1.00 0.90 H new ATOM 0 HE2 PHE A 58 2.150 8.333 7.391 1.00 1.15 H new ATOM 0 HZ PHE A 58 0.844 7.244 5.610 1.00 0.69 H new ATOM 475 N SER A 59 -2.333 12.882 8.261 1.00 0.91 N ATOM 476 CA SER A 59 -2.919 12.577 9.550 1.00 1.02 C ATOM 477 C SER A 59 -4.431 12.638 9.407 1.00 1.10 C ATOM 478 O SER A 59 -5.111 13.351 10.146 1.00 1.84 O ATOM 479 CB SER A 59 -2.455 13.575 10.623 1.00 1.21 C ATOM 480 OG SER A 59 -1.047 13.546 10.796 1.00 1.84 O ATOM 0 H SER A 59 -2.997 13.289 7.602 1.00 0.91 H new ATOM 0 HA SER A 59 -2.601 11.583 9.866 1.00 1.02 H new ATOM 0 HB2 SER A 59 -2.766 14.581 10.342 1.00 1.21 H new ATOM 0 HB3 SER A 59 -2.942 13.343 11.570 1.00 1.21 H new ATOM 0 HG SER A 59 -0.675 12.775 10.319 1.00 1.84 H new ATOM 486 N GLY A 60 -4.957 11.892 8.446 1.00 0.91 N ATOM 487 CA GLY A 60 -6.365 11.986 8.143 1.00 0.87 C ATOM 488 C GLY A 60 -6.659 11.895 6.659 1.00 0.66 C ATOM 489 O GLY A 60 -7.749 11.469 6.275 1.00 0.73 O ATOM 0 H GLY A 60 -4.435 11.227 7.875 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -6.897 11.189 8.663 1.00 0.87 H new ATOM 0 HA3 GLY A 60 -6.751 12.930 8.527 1.00 0.87 H new ATOM 493 N ILE A 61 -5.710 12.311 5.814 1.00 0.50 N ATOM 494 CA ILE A 61 -5.924 12.254 4.368 1.00 0.54 C ATOM 495 C ILE A 61 -6.160 10.824 3.896 1.00 0.73 C ATOM 496 O ILE A 61 -7.192 10.535 3.296 1.00 1.81 O ATOM 497 CB ILE A 61 -4.788 12.911 3.538 1.00 0.58 C ATOM 498 CG1 ILE A 61 -3.396 12.442 3.986 1.00 0.64 C ATOM 499 CG2 ILE A 61 -4.893 14.427 3.608 1.00 0.79 C ATOM 500 CD1 ILE A 61 -2.263 13.140 3.260 1.00 0.78 C ATOM 0 H ILE A 61 -4.805 12.683 6.100 1.00 0.50 H new ATOM 0 HA ILE A 61 -6.822 12.845 4.189 1.00 0.54 H new ATOM 0 HB ILE A 61 -4.914 12.593 2.503 1.00 0.58 H new ATOM 0 HG12 ILE A 61 -3.291 12.612 5.057 1.00 0.64 H new ATOM 0 HG13 ILE A 61 -3.313 11.367 3.825 1.00 0.64 H new ATOM 0 HG21 ILE A 61 -4.091 14.875 3.022 1.00 0.79 H new ATOM 0 HG22 ILE A 61 -5.856 14.744 3.207 1.00 0.79 H new ATOM 0 HG23 ILE A 61 -4.808 14.750 4.646 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.309 12.761 3.625 1.00 0.78 H new ATOM 0 HD12 ILE A 61 -2.344 12.949 2.190 1.00 0.78 H new ATOM 0 HD13 ILE A 61 -2.321 14.213 3.442 1.00 0.78 H new ATOM 512 N PHE A 62 -5.230 9.922 4.167 1.00 0.58 N ATOM 513 CA PHE A 62 -5.400 8.535 3.771 1.00 0.50 C ATOM 514 C PHE A 62 -5.544 7.661 5.002 1.00 0.51 C ATOM 515 O PHE A 62 -4.924 7.920 6.034 1.00 0.76 O ATOM 516 CB PHE A 62 -4.194 8.065 2.963 1.00 0.50 C ATOM 517 CG PHE A 62 -3.728 9.053 1.936 1.00 0.48 C ATOM 518 CD1 PHE A 62 -4.616 9.612 1.033 1.00 0.48 C ATOM 519 CD2 PHE A 62 -2.396 9.418 1.874 1.00 0.63 C ATOM 520 CE1 PHE A 62 -4.185 10.517 0.092 1.00 0.53 C ATOM 521 CE2 PHE A 62 -1.958 10.323 0.933 1.00 0.68 C ATOM 522 CZ PHE A 62 -2.853 10.874 0.039 1.00 0.59 C ATOM 0 H PHE A 62 -4.357 10.124 4.655 1.00 0.58 H new ATOM 0 HA PHE A 62 -6.298 8.457 3.158 1.00 0.50 H new ATOM 0 HB2 PHE A 62 -3.372 7.851 3.646 1.00 0.50 H new ATOM 0 HB3 PHE A 62 -4.446 7.129 2.464 1.00 0.50 H new ATOM 0 HD1 PHE A 62 -5.659 9.334 1.068 1.00 0.48 H new ATOM 0 HD2 PHE A 62 -1.691 8.989 2.571 1.00 0.63 H new ATOM 0 HE1 PHE A 62 -4.888 10.948 -0.605 1.00 0.53 H new ATOM 0 HE2 PHE A 62 -0.915 10.601 0.895 1.00 0.68 H new ATOM 0 HZ PHE A 62 -2.512 11.583 -0.701 1.00 0.59 H new ATOM 532 N THR A 63 -6.361 6.633 4.893 1.00 0.34 N ATOM 533 CA THR A 63 -6.556 5.706 5.987 1.00 0.38 C ATOM 534 C THR A 63 -5.561 4.550 5.915 1.00 0.30 C ATOM 535 O THR A 63 -4.696 4.409 6.779 1.00 0.38 O ATOM 536 CB THR A 63 -7.995 5.146 5.987 1.00 0.48 C ATOM 537 OG1 THR A 63 -8.940 6.226 5.954 1.00 0.78 O ATOM 538 CG2 THR A 63 -8.246 4.283 7.216 1.00 0.66 C ATOM 0 H THR A 63 -6.902 6.419 4.055 1.00 0.34 H new ATOM 0 HA THR A 63 -6.388 6.258 6.912 1.00 0.38 H new ATOM 0 HB THR A 63 -8.118 4.525 5.099 1.00 0.48 H new ATOM 0 HG1 THR A 63 -9.851 5.864 5.952 1.00 0.78 H new ATOM 0 HG21 THR A 63 -9.267 3.902 7.190 1.00 0.66 H new ATOM 0 HG22 THR A 63 -7.546 3.447 7.223 1.00 0.66 H new ATOM 0 HG23 THR A 63 -8.105 4.882 8.116 1.00 0.66 H new ATOM 546 N HIS A 64 -5.670 3.736 4.874 1.00 0.26 N ATOM 547 CA HIS A 64 -4.921 2.483 4.807 1.00 0.25 C ATOM 548 C HIS A 64 -3.565 2.628 4.132 1.00 0.25 C ATOM 549 O HIS A 64 -2.748 1.716 4.207 1.00 0.54 O ATOM 550 CB HIS A 64 -5.735 1.404 4.100 1.00 0.33 C ATOM 551 CG HIS A 64 -7.015 1.096 4.798 1.00 0.43 C ATOM 552 ND1 HIS A 64 -7.074 0.446 6.010 1.00 0.86 N ATOM 553 CD2 HIS A 64 -8.288 1.385 4.467 1.00 0.71 C ATOM 554 CE1 HIS A 64 -8.330 0.349 6.394 1.00 0.83 C ATOM 555 NE2 HIS A 64 -9.093 0.913 5.478 1.00 0.68 N ATOM 0 H HIS A 64 -6.266 3.917 4.066 1.00 0.26 H new ATOM 0 HA HIS A 64 -4.735 2.189 5.840 1.00 0.25 H new ATOM 0 HB2 HIS A 64 -5.950 1.727 3.081 1.00 0.33 H new ATOM 0 HB3 HIS A 64 -5.138 0.495 4.027 1.00 0.33 H new ATOM 0 HD1 HIS A 64 -6.270 0.094 6.530 1.00 0.86 H new ATOM 0 HD2 HIS A 64 -8.616 1.894 3.573 1.00 0.71 H new ATOM 0 HE1 HIS A 64 -8.677 -0.114 7.306 1.00 0.83 H new ATOM 564 N LEU A 65 -3.311 3.764 3.492 1.00 0.32 N ATOM 565 CA LEU A 65 -2.079 3.937 2.720 1.00 0.22 C ATOM 566 C LEU A 65 -0.863 3.840 3.640 1.00 0.20 C ATOM 567 O LEU A 65 0.122 3.179 3.316 1.00 0.24 O ATOM 568 CB LEU A 65 -2.087 5.285 1.976 1.00 0.29 C ATOM 569 CG LEU A 65 -2.907 5.337 0.670 1.00 0.36 C ATOM 570 CD1 LEU A 65 -2.224 4.555 -0.436 1.00 0.84 C ATOM 571 CD2 LEU A 65 -4.315 4.806 0.879 1.00 0.99 C ATOM 0 H LEU A 65 -3.932 4.573 3.490 1.00 0.32 H new ATOM 0 HA LEU A 65 -2.021 3.140 1.978 1.00 0.22 H new ATOM 0 HB2 LEU A 65 -2.472 6.048 2.653 1.00 0.29 H new ATOM 0 HB3 LEU A 65 -1.057 5.555 1.745 1.00 0.29 H new ATOM 0 HG LEU A 65 -2.971 6.384 0.373 1.00 0.36 H new ATOM 0 HD11 LEU A 65 -2.824 4.609 -1.344 1.00 0.84 H new ATOM 0 HD12 LEU A 65 -1.238 4.980 -0.627 1.00 0.84 H new ATOM 0 HD13 LEU A 65 -2.118 3.513 -0.133 1.00 0.84 H new ATOM 0 HD21 LEU A 65 -4.866 4.857 -0.060 1.00 0.99 H new ATOM 0 HD22 LEU A 65 -4.267 3.771 1.216 1.00 0.99 H new ATOM 0 HD23 LEU A 65 -4.824 5.409 1.631 1.00 0.99 H new ATOM 583 N GLU A 66 -0.955 4.499 4.793 1.00 0.30 N ATOM 584 CA GLU A 66 0.075 4.419 5.822 1.00 0.40 C ATOM 585 C GLU A 66 0.353 2.966 6.211 1.00 0.38 C ATOM 586 O GLU A 66 1.493 2.500 6.144 1.00 0.38 O ATOM 587 CB GLU A 66 -0.366 5.212 7.053 1.00 0.53 C ATOM 588 CG GLU A 66 0.695 5.305 8.133 1.00 0.88 C ATOM 589 CD GLU A 66 0.199 6.015 9.372 1.00 1.12 C ATOM 590 OE1 GLU A 66 -0.122 5.328 10.368 1.00 1.75 O ATOM 591 OE2 GLU A 66 0.123 7.259 9.361 1.00 1.75 O ATOM 0 H GLU A 66 -1.742 5.100 5.038 1.00 0.30 H new ATOM 0 HA GLU A 66 0.995 4.845 5.422 1.00 0.40 H new ATOM 0 HB2 GLU A 66 -0.646 6.219 6.744 1.00 0.53 H new ATOM 0 HB3 GLU A 66 -1.259 4.748 7.472 1.00 0.53 H new ATOM 0 HG2 GLU A 66 1.025 4.301 8.401 1.00 0.88 H new ATOM 0 HG3 GLU A 66 1.564 5.832 7.740 1.00 0.88 H new ATOM 598 N ARG A 67 -0.698 2.258 6.620 1.00 0.42 N ATOM 599 CA ARG A 67 -0.583 0.853 7.012 1.00 0.44 C ATOM 600 C ARG A 67 0.042 0.009 5.902 1.00 0.39 C ATOM 601 O ARG A 67 0.841 -0.887 6.170 1.00 0.40 O ATOM 602 CB ARG A 67 -1.949 0.263 7.374 1.00 0.54 C ATOM 603 CG ARG A 67 -1.877 -1.217 7.699 1.00 0.74 C ATOM 604 CD ARG A 67 -3.249 -1.855 7.795 1.00 0.86 C ATOM 605 NE ARG A 67 -3.153 -3.297 7.610 1.00 1.08 N ATOM 606 CZ ARG A 67 -4.166 -4.147 7.712 1.00 1.45 C ATOM 607 NH1 ARG A 67 -5.347 -3.736 8.161 1.00 1.71 N ATOM 608 NH2 ARG A 67 -3.977 -5.422 7.395 1.00 2.07 N ATOM 0 H ARG A 67 -1.643 2.635 6.689 1.00 0.42 H new ATOM 0 HA ARG A 67 0.066 0.827 7.888 1.00 0.44 H new ATOM 0 HB2 ARG A 67 -2.357 0.800 8.230 1.00 0.54 H new ATOM 0 HB3 ARG A 67 -2.638 0.416 6.544 1.00 0.54 H new ATOM 0 HG2 ARG A 67 -1.295 -1.727 6.931 1.00 0.74 H new ATOM 0 HG3 ARG A 67 -1.349 -1.354 8.643 1.00 0.74 H new ATOM 0 HD2 ARG A 67 -3.692 -1.635 8.766 1.00 0.86 H new ATOM 0 HD3 ARG A 67 -3.909 -1.428 7.040 1.00 0.86 H new ATOM 0 HE ARG A 67 -2.236 -3.683 7.385 1.00 1.08 H new ATOM 0 HH11 ARG A 67 -5.479 -2.761 8.430 1.00 1.71 H new ATOM 0 HH12 ARG A 67 -6.121 -4.395 8.237 1.00 1.71 H new ATOM 0 HH21 ARG A 67 -3.061 -5.738 7.077 1.00 2.07 H new ATOM 0 HH22 ARG A 67 -4.748 -6.086 7.469 1.00 2.07 H new ATOM 622 N LEU A 68 -0.316 0.307 4.661 1.00 0.35 N ATOM 623 CA LEU A 68 0.143 -0.486 3.529 1.00 0.34 C ATOM 624 C LEU A 68 1.654 -0.415 3.348 1.00 0.31 C ATOM 625 O LEU A 68 2.252 -1.340 2.818 1.00 0.40 O ATOM 626 CB LEU A 68 -0.580 -0.078 2.247 1.00 0.33 C ATOM 627 CG LEU A 68 -2.022 -0.570 2.138 1.00 0.41 C ATOM 628 CD1 LEU A 68 -2.557 -0.320 0.743 1.00 0.37 C ATOM 629 CD2 LEU A 68 -2.117 -2.047 2.490 1.00 0.61 C ATOM 0 H LEU A 68 -0.921 1.090 4.413 1.00 0.35 H new ATOM 0 HA LEU A 68 -0.103 -1.525 3.748 1.00 0.34 H new ATOM 0 HB2 LEU A 68 -0.576 1.010 2.175 1.00 0.33 H new ATOM 0 HB3 LEU A 68 -0.017 -0.456 1.394 1.00 0.33 H new ATOM 0 HG LEU A 68 -2.631 -0.013 2.850 1.00 0.41 H new ATOM 0 HD11 LEU A 68 -3.585 -0.675 0.679 1.00 0.37 H new ATOM 0 HD12 LEU A 68 -2.528 0.748 0.528 1.00 0.37 H new ATOM 0 HD13 LEU A 68 -1.943 -0.853 0.017 1.00 0.37 H new ATOM 0 HD21 LEU A 68 -3.153 -2.375 2.405 1.00 0.61 H new ATOM 0 HD22 LEU A 68 -1.496 -2.625 1.805 1.00 0.61 H new ATOM 0 HD23 LEU A 68 -1.770 -2.201 3.512 1.00 0.61 H new ATOM 641 N LEU A 69 2.280 0.653 3.818 1.00 0.27 N ATOM 642 CA LEU A 69 3.739 0.717 3.792 1.00 0.24 C ATOM 643 C LEU A 69 4.292 -0.126 4.932 1.00 0.25 C ATOM 644 O LEU A 69 5.273 -0.867 4.783 1.00 0.26 O ATOM 645 CB LEU A 69 4.263 2.159 3.893 1.00 0.25 C ATOM 646 CG LEU A 69 4.382 2.926 2.566 1.00 0.23 C ATOM 647 CD1 LEU A 69 5.768 3.506 2.410 1.00 0.25 C ATOM 648 CD2 LEU A 69 4.073 2.036 1.385 1.00 0.30 C ATOM 0 H LEU A 69 1.817 1.471 4.214 1.00 0.27 H new ATOM 0 HA LEU A 69 4.078 0.325 2.833 1.00 0.24 H new ATOM 0 HB2 LEU A 69 3.603 2.719 4.556 1.00 0.25 H new ATOM 0 HB3 LEU A 69 5.245 2.136 4.366 1.00 0.25 H new ATOM 0 HG LEU A 69 3.652 3.735 2.591 1.00 0.23 H new ATOM 0 HD11 LEU A 69 5.833 4.045 1.465 1.00 0.25 H new ATOM 0 HD12 LEU A 69 5.970 4.191 3.233 1.00 0.25 H new ATOM 0 HD13 LEU A 69 6.503 2.701 2.419 1.00 0.25 H new ATOM 0 HD21 LEU A 69 4.166 2.610 0.463 1.00 0.30 H new ATOM 0 HD22 LEU A 69 4.773 1.201 1.366 1.00 0.30 H new ATOM 0 HD23 LEU A 69 3.056 1.654 1.473 1.00 0.30 H new ATOM 660 N ASP A 70 3.607 -0.069 6.058 1.00 0.29 N ATOM 661 CA ASP A 70 4.037 -0.793 7.236 1.00 0.35 C ATOM 662 C ASP A 70 3.985 -2.289 6.974 1.00 0.38 C ATOM 663 O ASP A 70 4.825 -3.037 7.459 1.00 0.43 O ATOM 664 CB ASP A 70 3.171 -0.417 8.440 1.00 0.43 C ATOM 665 CG ASP A 70 3.395 -1.318 9.637 1.00 0.91 C ATOM 666 OD1 ASP A 70 2.575 -2.233 9.857 1.00 1.62 O ATOM 667 OD2 ASP A 70 4.388 -1.119 10.365 1.00 1.56 O ATOM 0 H ASP A 70 2.751 0.471 6.181 1.00 0.29 H new ATOM 0 HA ASP A 70 5.067 -0.519 7.464 1.00 0.35 H new ATOM 0 HB2 ASP A 70 3.382 0.614 8.724 1.00 0.43 H new ATOM 0 HB3 ASP A 70 2.121 -0.460 8.152 1.00 0.43 H new ATOM 672 N GLU A 71 2.993 -2.729 6.207 1.00 0.42 N ATOM 673 CA GLU A 71 2.910 -4.118 5.795 1.00 0.50 C ATOM 674 C GLU A 71 3.780 -4.428 4.577 1.00 0.45 C ATOM 675 O GLU A 71 4.512 -5.412 4.593 1.00 0.48 O ATOM 676 CB GLU A 71 1.459 -4.481 5.518 1.00 0.61 C ATOM 677 CG GLU A 71 0.904 -5.477 6.522 1.00 0.94 C ATOM 678 CD GLU A 71 -0.526 -5.187 6.919 1.00 1.47 C ATOM 679 OE1 GLU A 71 -1.450 -5.833 6.384 1.00 2.14 O ATOM 680 OE2 GLU A 71 -0.727 -4.317 7.787 1.00 2.18 O ATOM 0 H GLU A 71 2.236 -2.140 5.860 1.00 0.42 H new ATOM 0 HA GLU A 71 3.296 -4.725 6.614 1.00 0.50 H new ATOM 0 HB2 GLU A 71 0.852 -3.576 5.536 1.00 0.61 H new ATOM 0 HB3 GLU A 71 1.378 -4.899 4.515 1.00 0.61 H new ATOM 0 HG2 GLU A 71 0.961 -6.480 6.099 1.00 0.94 H new ATOM 0 HG3 GLU A 71 1.530 -5.472 7.414 1.00 0.94 H new ATOM 687 N GLU A 72 3.723 -3.596 3.535 1.00 0.43 N ATOM 688 CA GLU A 72 4.492 -3.860 2.313 1.00 0.45 C ATOM 689 C GLU A 72 5.982 -3.822 2.615 1.00 0.42 C ATOM 690 O GLU A 72 6.712 -4.755 2.311 1.00 0.47 O ATOM 691 CB GLU A 72 4.174 -2.849 1.207 1.00 0.46 C ATOM 692 CG GLU A 72 5.038 -3.014 -0.039 1.00 0.57 C ATOM 693 CD GLU A 72 4.719 -4.271 -0.826 1.00 0.91 C ATOM 694 OE1 GLU A 72 4.453 -4.164 -2.041 1.00 1.69 O ATOM 695 OE2 GLU A 72 4.735 -5.368 -0.238 1.00 1.33 O ATOM 0 H GLU A 72 3.161 -2.745 3.510 1.00 0.43 H new ATOM 0 HA GLU A 72 4.208 -4.851 1.959 1.00 0.45 H new ATOM 0 HB2 GLU A 72 3.125 -2.947 0.927 1.00 0.46 H new ATOM 0 HB3 GLU A 72 4.306 -1.841 1.599 1.00 0.46 H new ATOM 0 HG2 GLU A 72 4.904 -2.146 -0.684 1.00 0.57 H new ATOM 0 HG3 GLU A 72 6.088 -3.034 0.255 1.00 0.57 H new ATOM 702 N ILE A 73 6.411 -2.752 3.262 1.00 0.35 N ATOM 703 CA ILE A 73 7.815 -2.587 3.604 1.00 0.34 C ATOM 704 C ILE A 73 8.252 -3.739 4.487 1.00 0.40 C ATOM 705 O ILE A 73 9.321 -4.318 4.297 1.00 0.45 O ATOM 706 CB ILE A 73 8.068 -1.239 4.317 1.00 0.29 C ATOM 707 CG1 ILE A 73 7.981 -0.097 3.307 1.00 0.27 C ATOM 708 CG2 ILE A 73 9.410 -1.223 5.035 1.00 0.33 C ATOM 709 CD1 ILE A 73 8.193 1.271 3.910 1.00 0.27 C ATOM 0 H ILE A 73 5.809 -1.985 3.561 1.00 0.35 H new ATOM 0 HA ILE A 73 8.399 -2.585 2.684 1.00 0.34 H new ATOM 0 HB ILE A 73 7.297 -1.106 5.076 1.00 0.29 H new ATOM 0 HG12 ILE A 73 8.724 -0.258 2.526 1.00 0.27 H new ATOM 0 HG13 ILE A 73 7.003 -0.124 2.826 1.00 0.27 H new ATOM 0 HG21 ILE A 73 9.550 -0.259 5.523 1.00 0.33 H new ATOM 0 HG22 ILE A 73 9.432 -2.015 5.783 1.00 0.33 H new ATOM 0 HG23 ILE A 73 10.211 -1.384 4.313 1.00 0.33 H new ATOM 0 HD11 ILE A 73 8.116 2.028 3.130 1.00 0.27 H new ATOM 0 HD12 ILE A 73 7.434 1.455 4.670 1.00 0.27 H new ATOM 0 HD13 ILE A 73 9.182 1.319 4.366 1.00 0.27 H new ATOM 721 N SER A 74 7.389 -4.094 5.423 1.00 0.41 N ATOM 722 CA SER A 74 7.670 -5.206 6.327 1.00 0.49 C ATOM 723 C SER A 74 7.811 -6.539 5.571 1.00 0.54 C ATOM 724 O SER A 74 8.730 -7.314 5.840 1.00 0.60 O ATOM 725 CB SER A 74 6.573 -5.320 7.387 1.00 0.52 C ATOM 726 OG SER A 74 6.899 -6.281 8.375 1.00 1.34 O ATOM 0 H SER A 74 6.492 -3.634 5.580 1.00 0.41 H new ATOM 0 HA SER A 74 8.623 -4.997 6.813 1.00 0.49 H new ATOM 0 HB2 SER A 74 6.421 -4.349 7.859 1.00 0.52 H new ATOM 0 HB3 SER A 74 5.632 -5.593 6.909 1.00 0.52 H new ATOM 0 HG SER A 74 6.096 -6.790 8.614 1.00 1.34 H new ATOM 732 N ARG A 75 6.926 -6.793 4.612 1.00 0.55 N ATOM 733 CA ARG A 75 6.928 -8.076 3.908 1.00 0.63 C ATOM 734 C ARG A 75 8.052 -8.118 2.878 1.00 0.65 C ATOM 735 O ARG A 75 8.618 -9.178 2.605 1.00 0.72 O ATOM 736 CB ARG A 75 5.579 -8.362 3.237 1.00 0.74 C ATOM 737 CG ARG A 75 5.192 -7.352 2.176 1.00 0.76 C ATOM 738 CD ARG A 75 3.880 -7.707 1.496 1.00 1.25 C ATOM 739 NE ARG A 75 3.995 -8.903 0.660 1.00 1.84 N ATOM 740 CZ ARG A 75 4.142 -8.874 -0.668 1.00 2.73 C ATOM 741 NH1 ARG A 75 4.298 -7.716 -1.301 1.00 3.05 N ATOM 742 NH2 ARG A 75 4.167 -10.007 -1.359 1.00 3.67 N ATOM 0 H ARG A 75 6.206 -6.139 4.306 1.00 0.55 H new ATOM 0 HA ARG A 75 7.097 -8.855 4.651 1.00 0.63 H new ATOM 0 HB2 ARG A 75 5.613 -9.353 2.785 1.00 0.74 H new ATOM 0 HB3 ARG A 75 4.802 -8.386 4.002 1.00 0.74 H new ATOM 0 HG2 ARG A 75 5.108 -6.365 2.630 1.00 0.76 H new ATOM 0 HG3 ARG A 75 5.982 -7.293 1.428 1.00 0.76 H new ATOM 0 HD2 ARG A 75 3.112 -7.868 2.253 1.00 1.25 H new ATOM 0 HD3 ARG A 75 3.552 -6.868 0.883 1.00 1.25 H new ATOM 0 HE ARG A 75 3.961 -9.813 1.119 1.00 1.84 H new ATOM 0 HH11 ARG A 75 4.306 -6.843 -0.773 1.00 3.05 H new ATOM 0 HH12 ARG A 75 4.410 -7.700 -2.315 1.00 3.05 H new ATOM 0 HH21 ARG A 75 4.074 -10.901 -0.876 1.00 3.67 H new ATOM 0 HH22 ARG A 75 4.279 -9.984 -2.373 1.00 3.67 H new ATOM 756 N VAL A 76 8.386 -6.962 2.320 1.00 0.62 N ATOM 757 CA VAL A 76 9.496 -6.856 1.386 1.00 0.67 C ATOM 758 C VAL A 76 10.812 -7.140 2.106 1.00 0.71 C ATOM 759 O VAL A 76 11.709 -7.775 1.552 1.00 0.84 O ATOM 760 CB VAL A 76 9.543 -5.457 0.724 1.00 0.61 C ATOM 761 CG1 VAL A 76 10.801 -5.281 -0.104 1.00 0.64 C ATOM 762 CG2 VAL A 76 8.318 -5.238 -0.148 1.00 0.58 C ATOM 0 H VAL A 76 7.902 -6.083 2.500 1.00 0.62 H new ATOM 0 HA VAL A 76 9.348 -7.595 0.599 1.00 0.67 H new ATOM 0 HB VAL A 76 9.551 -4.715 1.523 1.00 0.61 H new ATOM 0 HG11 VAL A 76 10.804 -4.289 -0.555 1.00 0.64 H new ATOM 0 HG12 VAL A 76 11.676 -5.391 0.536 1.00 0.64 H new ATOM 0 HG13 VAL A 76 10.829 -6.037 -0.889 1.00 0.64 H new ATOM 0 HG21 VAL A 76 8.369 -4.250 -0.605 1.00 0.58 H new ATOM 0 HG22 VAL A 76 8.287 -5.998 -0.929 1.00 0.58 H new ATOM 0 HG23 VAL A 76 7.419 -5.309 0.464 1.00 0.58 H new ATOM 772 N ARG A 77 10.900 -6.702 3.359 1.00 0.65 N ATOM 773 CA ARG A 77 12.083 -6.947 4.177 1.00 0.73 C ATOM 774 C ARG A 77 12.150 -8.415 4.588 1.00 0.86 C ATOM 775 O ARG A 77 13.220 -8.943 4.890 1.00 0.98 O ATOM 776 CB ARG A 77 12.077 -6.060 5.426 1.00 0.75 C ATOM 777 CG ARG A 77 12.210 -4.576 5.129 1.00 0.81 C ATOM 778 CD ARG A 77 12.209 -3.750 6.405 1.00 0.84 C ATOM 779 NE ARG A 77 13.334 -4.087 7.278 1.00 1.39 N ATOM 780 CZ ARG A 77 13.689 -3.373 8.346 1.00 1.71 C ATOM 781 NH1 ARG A 77 13.012 -2.281 8.678 1.00 1.45 N ATOM 782 NH2 ARG A 77 14.725 -3.753 9.080 1.00 2.73 N ATOM 0 H ARG A 77 10.165 -6.175 3.830 1.00 0.65 H new ATOM 0 HA ARG A 77 12.961 -6.702 3.580 1.00 0.73 H new ATOM 0 HB2 ARG A 77 11.151 -6.229 5.975 1.00 0.75 H new ATOM 0 HB3 ARG A 77 12.895 -6.364 6.079 1.00 0.75 H new ATOM 0 HG2 ARG A 77 13.133 -4.395 4.578 1.00 0.81 H new ATOM 0 HG3 ARG A 77 11.389 -4.257 4.487 1.00 0.81 H new ATOM 0 HD2 ARG A 77 12.252 -2.691 6.151 1.00 0.84 H new ATOM 0 HD3 ARG A 77 11.274 -3.912 6.941 1.00 0.84 H new ATOM 0 HE ARG A 77 13.880 -4.919 7.056 1.00 1.39 H new ATOM 0 HH11 ARG A 77 12.215 -1.984 8.115 1.00 1.45 H new ATOM 0 HH12 ARG A 77 13.288 -1.739 9.496 1.00 1.45 H new ATOM 0 HH21 ARG A 77 15.249 -4.591 8.827 1.00 2.73 H new ATOM 0 HH22 ARG A 77 14.998 -3.208 9.898 1.00 2.73 H new ATOM 796 N LYS A 78 10.996 -9.069 4.591 1.00 0.90 N ATOM 797 CA LYS A 78 10.918 -10.476 4.921 1.00 1.08 C ATOM 798 C LYS A 78 11.413 -11.298 3.734 1.00 1.11 C ATOM 799 O LYS A 78 12.115 -12.291 3.900 1.00 1.32 O ATOM 800 CB LYS A 78 9.476 -10.833 5.335 1.00 1.13 C ATOM 801 CG LYS A 78 9.063 -12.270 5.057 1.00 1.35 C ATOM 802 CD LYS A 78 8.560 -12.421 3.632 1.00 2.01 C ATOM 803 CE LYS A 78 7.100 -12.023 3.497 1.00 2.67 C ATOM 804 NZ LYS A 78 6.599 -12.250 2.116 1.00 3.44 N ATOM 0 H LYS A 78 10.099 -8.639 4.366 1.00 0.90 H new ATOM 0 HA LYS A 78 11.560 -10.709 5.771 1.00 1.08 H new ATOM 0 HB2 LYS A 78 9.362 -10.638 6.401 1.00 1.13 H new ATOM 0 HB3 LYS A 78 8.789 -10.166 4.814 1.00 1.13 H new ATOM 0 HG2 LYS A 78 9.911 -12.935 5.220 1.00 1.35 H new ATOM 0 HG3 LYS A 78 8.283 -12.571 5.756 1.00 1.35 H new ATOM 0 HD2 LYS A 78 9.166 -11.806 2.967 1.00 2.01 H new ATOM 0 HD3 LYS A 78 8.685 -13.455 3.312 1.00 2.01 H new ATOM 0 HE2 LYS A 78 6.499 -12.597 4.202 1.00 2.67 H new ATOM 0 HE3 LYS A 78 6.983 -10.972 3.760 1.00 2.67 H new ATOM 0 HZ1 LYS A 78 5.600 -11.968 2.059 1.00 3.44 H new ATOM 0 HZ2 LYS A 78 7.158 -11.683 1.446 1.00 3.44 H new ATOM 0 HZ3 LYS A 78 6.689 -13.258 1.875 1.00 3.44 H new ATOM 818 N ASP A 79 11.055 -10.852 2.532 1.00 1.01 N ATOM 819 CA ASP A 79 11.483 -11.510 1.295 1.00 1.19 C ATOM 820 C ASP A 79 12.985 -11.315 1.054 1.00 1.41 C ATOM 821 O ASP A 79 13.562 -11.871 0.119 1.00 1.67 O ATOM 822 CB ASP A 79 10.672 -10.961 0.116 1.00 1.23 C ATOM 823 CG ASP A 79 10.890 -11.737 -1.168 1.00 1.58 C ATOM 824 OD1 ASP A 79 10.284 -12.817 -1.324 1.00 2.21 O ATOM 825 OD2 ASP A 79 11.649 -11.258 -2.034 1.00 1.94 O ATOM 0 H ASP A 79 10.466 -10.032 2.386 1.00 1.01 H new ATOM 0 HA ASP A 79 11.302 -12.581 1.389 1.00 1.19 H new ATOM 0 HB2 ASP A 79 9.612 -10.982 0.371 1.00 1.23 H new ATOM 0 HB3 ASP A 79 10.940 -9.917 -0.047 1.00 1.23 H new ATOM 830 N MET A 80 13.621 -10.547 1.928 1.00 1.50 N ATOM 831 CA MET A 80 15.058 -10.324 1.841 1.00 1.83 C ATOM 832 C MET A 80 15.790 -11.491 2.476 1.00 2.15 C ATOM 833 O MET A 80 16.943 -11.774 2.155 1.00 2.62 O ATOM 834 CB MET A 80 15.457 -9.021 2.533 1.00 2.04 C ATOM 835 CG MET A 80 14.815 -7.790 1.923 1.00 1.57 C ATOM 836 SD MET A 80 15.251 -7.560 0.190 1.00 1.42 S ATOM 837 CE MET A 80 14.230 -6.147 -0.212 1.00 0.99 C ATOM 0 H MET A 80 13.165 -10.068 2.705 1.00 1.50 H new ATOM 0 HA MET A 80 15.332 -10.245 0.789 1.00 1.83 H new ATOM 0 HB2 MET A 80 15.183 -9.080 3.586 1.00 2.04 H new ATOM 0 HB3 MET A 80 16.541 -8.914 2.491 1.00 2.04 H new ATOM 0 HG2 MET A 80 13.732 -7.869 2.013 1.00 1.57 H new ATOM 0 HG3 MET A 80 15.119 -6.909 2.489 1.00 1.57 H new ATOM 0 HE1 MET A 80 14.011 -6.149 -1.280 1.00 0.99 H new ATOM 0 HE2 MET A 80 13.298 -6.200 0.350 1.00 0.99 H new ATOM 0 HE3 MET A 80 14.759 -5.230 0.048 1.00 0.99 H new ATOM 847 N TYR A 81 15.096 -12.171 3.376 1.00 2.56 N ATOM 848 CA TYR A 81 15.644 -13.331 4.052 1.00 3.12 C ATOM 849 C TYR A 81 14.720 -14.525 3.852 1.00 3.69 C ATOM 850 O TYR A 81 14.772 -15.137 2.763 1.00 4.24 O ATOM 851 CB TYR A 81 15.825 -13.045 5.544 1.00 3.70 C ATOM 852 CG TYR A 81 16.752 -11.886 5.840 1.00 4.11 C ATOM 853 CD1 TYR A 81 16.257 -10.600 6.012 1.00 4.28 C ATOM 854 CD2 TYR A 81 18.122 -12.081 5.951 1.00 4.77 C ATOM 855 CE1 TYR A 81 17.101 -9.541 6.287 1.00 4.93 C ATOM 856 CE2 TYR A 81 18.973 -11.027 6.224 1.00 5.51 C ATOM 857 CZ TYR A 81 18.456 -9.761 6.392 1.00 5.52 C ATOM 858 OH TYR A 81 19.299 -8.711 6.672 1.00 6.40 O ATOM 859 OXT TYR A 81 13.937 -14.841 4.772 1.00 4.07 O ATOM 0 H TYR A 81 14.144 -11.934 3.655 1.00 2.56 H new ATOM 0 HA TYR A 81 16.621 -13.560 3.626 1.00 3.12 H new ATOM 0 HB2 TYR A 81 14.850 -12.839 5.985 1.00 3.70 H new ATOM 0 HB3 TYR A 81 16.212 -13.940 6.031 1.00 3.70 H new ATOM 0 HD1 TYR A 81 15.195 -10.425 5.929 1.00 4.28 H new ATOM 0 HD2 TYR A 81 18.529 -13.073 5.822 1.00 4.77 H new ATOM 0 HE1 TYR A 81 16.700 -8.547 6.419 1.00 4.93 H new ATOM 0 HE2 TYR A 81 20.037 -11.195 6.305 1.00 5.51 H new ATOM 0 HH TYR A 81 20.223 -9.035 6.713 1.00 6.40 H new TER 869 TYR A 81 ATOM 870 N GLY B -2 10.002 -9.609 11.276 1.00 7.36 N ATOM 871 CA GLY B -2 9.707 -10.929 11.879 1.00 7.05 C ATOM 872 C GLY B -2 8.452 -11.541 11.301 1.00 6.50 C ATOM 873 O GLY B -2 8.085 -11.249 10.160 1.00 6.41 O ATOM 0 H1 GLY B -2 10.984 -9.596 10.933 1.00 7.36 H new ATOM 0 H2 GLY B -2 9.354 -9.438 10.480 1.00 7.36 H new ATOM 0 H3 GLY B -2 9.875 -8.865 11.991 1.00 7.36 H new ATOM 0 HA2 GLY B -2 10.549 -11.601 11.713 1.00 7.05 H new ATOM 0 HA3 GLY B -2 9.595 -10.819 12.958 1.00 7.05 H new ATOM 879 N SER B -1 7.796 -12.389 12.080 1.00 6.41 N ATOM 880 CA SER B -1 6.550 -13.006 11.658 1.00 6.10 C ATOM 881 C SER B -1 5.468 -11.942 11.485 1.00 5.79 C ATOM 882 O SER B -1 4.960 -11.746 10.380 1.00 6.09 O ATOM 883 CB SER B -1 6.120 -14.052 12.690 1.00 6.39 C ATOM 884 OG SER B -1 7.165 -14.980 12.932 1.00 6.64 O ATOM 0 H SER B -1 8.109 -12.665 13.011 1.00 6.41 H new ATOM 0 HA SER B -1 6.699 -13.500 10.698 1.00 6.10 H new ATOM 0 HB2 SER B -1 5.843 -13.558 13.621 1.00 6.39 H new ATOM 0 HB3 SER B -1 5.235 -14.579 12.333 1.00 6.39 H new ATOM 0 HG SER B -1 6.871 -15.639 13.595 1.00 6.64 H new ATOM 890 N LYS B 32 5.148 -11.250 12.582 1.00 5.47 N ATOM 891 CA LYS B 32 4.177 -10.154 12.579 1.00 5.31 C ATOM 892 C LYS B 32 2.757 -10.647 12.293 1.00 4.83 C ATOM 893 O LYS B 32 2.537 -11.546 11.478 1.00 4.65 O ATOM 894 CB LYS B 32 4.576 -9.080 11.564 1.00 5.58 C ATOM 895 CG LYS B 32 3.680 -7.854 11.588 1.00 6.01 C ATOM 896 CD LYS B 32 4.074 -6.865 10.510 1.00 6.39 C ATOM 897 CE LYS B 32 3.206 -5.620 10.556 1.00 7.09 C ATOM 898 NZ LYS B 32 3.644 -4.605 9.566 1.00 7.47 N ATOM 0 H LYS B 32 5.556 -11.435 13.498 1.00 5.47 H new ATOM 0 HA LYS B 32 4.182 -9.719 13.578 1.00 5.31 H new ATOM 0 HB2 LYS B 32 5.603 -8.772 11.759 1.00 5.58 H new ATOM 0 HB3 LYS B 32 4.557 -9.513 10.564 1.00 5.58 H new ATOM 0 HG2 LYS B 32 2.642 -8.156 11.446 1.00 6.01 H new ATOM 0 HG3 LYS B 32 3.742 -7.375 12.565 1.00 6.01 H new ATOM 0 HD2 LYS B 32 5.120 -6.586 10.635 1.00 6.39 H new ATOM 0 HD3 LYS B 32 3.985 -7.337 9.531 1.00 6.39 H new ATOM 0 HE2 LYS B 32 2.169 -5.893 10.362 1.00 7.09 H new ATOM 0 HE3 LYS B 32 3.240 -5.190 11.557 1.00 7.09 H new ATOM 0 HZ1 LYS B 32 2.934 -3.848 9.508 1.00 7.47 H new ATOM 0 HZ2 LYS B 32 4.556 -4.202 9.862 1.00 7.47 H new ATOM 0 HZ3 LYS B 32 3.750 -5.053 8.633 1.00 7.47 H new ATOM 912 N GLU B 33 1.791 -10.050 12.965 1.00 4.82 N ATOM 913 CA GLU B 33 0.399 -10.404 12.768 1.00 4.46 C ATOM 914 C GLU B 33 -0.264 -9.389 11.846 1.00 4.00 C ATOM 915 O GLU B 33 -0.351 -8.205 12.168 1.00 4.07 O ATOM 916 CB GLU B 33 -0.332 -10.460 14.109 1.00 4.70 C ATOM 917 CG GLU B 33 -1.725 -11.057 14.015 1.00 4.79 C ATOM 918 CD GLU B 33 -2.437 -11.089 15.349 1.00 4.98 C ATOM 919 OE1 GLU B 33 -2.053 -11.900 16.216 1.00 5.29 O ATOM 920 OE2 GLU B 33 -3.398 -10.314 15.534 1.00 5.19 O ATOM 0 H GLU B 33 1.946 -9.315 13.655 1.00 4.82 H new ATOM 0 HA GLU B 33 0.346 -11.391 12.307 1.00 4.46 H new ATOM 0 HB2 GLU B 33 0.259 -11.047 14.812 1.00 4.70 H new ATOM 0 HB3 GLU B 33 -0.404 -9.452 14.517 1.00 4.70 H new ATOM 0 HG2 GLU B 33 -2.317 -10.478 13.306 1.00 4.79 H new ATOM 0 HG3 GLU B 33 -1.656 -12.071 13.620 1.00 4.79 H new ATOM 927 N LYS B 34 -0.698 -9.854 10.687 1.00 3.73 N ATOM 928 CA LYS B 34 -1.332 -8.986 9.705 1.00 3.44 C ATOM 929 C LYS B 34 -2.850 -9.097 9.798 1.00 3.03 C ATOM 930 O LYS B 34 -3.409 -10.179 9.610 1.00 3.00 O ATOM 931 CB LYS B 34 -0.865 -9.328 8.281 1.00 3.71 C ATOM 932 CG LYS B 34 0.558 -8.878 7.958 1.00 4.14 C ATOM 933 CD LYS B 34 1.615 -9.727 8.653 1.00 4.59 C ATOM 934 CE LYS B 34 1.686 -11.128 8.065 1.00 5.29 C ATOM 935 NZ LYS B 34 2.698 -11.972 8.754 1.00 5.79 N ATOM 0 H LYS B 34 -0.623 -10.830 10.401 1.00 3.73 H new ATOM 0 HA LYS B 34 -1.037 -7.960 9.925 1.00 3.44 H new ATOM 0 HB2 LYS B 34 -0.933 -10.407 8.139 1.00 3.71 H new ATOM 0 HB3 LYS B 34 -1.549 -8.869 7.567 1.00 3.71 H new ATOM 0 HG2 LYS B 34 0.713 -8.923 6.880 1.00 4.14 H new ATOM 0 HG3 LYS B 34 0.682 -7.836 8.255 1.00 4.14 H new ATOM 0 HD2 LYS B 34 2.588 -9.244 8.561 1.00 4.59 H new ATOM 0 HD3 LYS B 34 1.389 -9.790 9.718 1.00 4.59 H new ATOM 0 HE2 LYS B 34 0.707 -11.602 8.140 1.00 5.29 H new ATOM 0 HE3 LYS B 34 1.929 -11.064 7.004 1.00 5.29 H new ATOM 0 HZ1 LYS B 34 2.713 -12.918 8.322 1.00 5.79 H new ATOM 0 HZ2 LYS B 34 3.637 -11.534 8.661 1.00 5.79 H new ATOM 0 HZ3 LYS B 34 2.453 -12.055 9.761 1.00 5.79 H new ATOM 949 N PRO B 35 -3.529 -7.978 10.108 1.00 2.88 N ATOM 950 CA PRO B 35 -4.994 -7.931 10.211 1.00 2.61 C ATOM 951 C PRO B 35 -5.679 -8.387 8.925 1.00 2.27 C ATOM 952 O PRO B 35 -5.242 -8.051 7.821 1.00 2.34 O ATOM 953 CB PRO B 35 -5.290 -6.451 10.478 1.00 2.80 C ATOM 954 CG PRO B 35 -4.030 -5.905 11.049 1.00 3.20 C ATOM 955 CD PRO B 35 -2.916 -6.670 10.394 1.00 3.15 C ATOM 0 HA PRO B 35 -5.368 -8.599 10.987 1.00 2.61 H new ATOM 0 HB2 PRO B 35 -5.565 -5.931 9.560 1.00 2.80 H new ATOM 0 HB3 PRO B 35 -6.122 -6.334 11.173 1.00 2.80 H new ATOM 0 HG2 PRO B 35 -3.941 -4.837 10.849 1.00 3.20 H new ATOM 0 HG3 PRO B 35 -4.006 -6.030 12.132 1.00 3.20 H new ATOM 0 HD2 PRO B 35 -2.571 -6.179 9.484 1.00 3.15 H new ATOM 0 HD3 PRO B 35 -2.052 -6.765 11.052 1.00 3.15 H new ATOM 963 N LYS B 36 -6.752 -9.151 9.078 1.00 2.08 N ATOM 964 CA LYS B 36 -7.462 -9.719 7.938 1.00 1.82 C ATOM 965 C LYS B 36 -8.249 -8.654 7.185 1.00 1.56 C ATOM 966 O LYS B 36 -8.902 -7.804 7.793 1.00 1.53 O ATOM 967 CB LYS B 36 -8.412 -10.829 8.395 1.00 1.80 C ATOM 968 CG LYS B 36 -9.374 -10.407 9.494 1.00 2.24 C ATOM 969 CD LYS B 36 -10.416 -11.478 9.776 1.00 2.52 C ATOM 970 CE LYS B 36 -11.319 -11.706 8.575 1.00 3.04 C ATOM 971 NZ LYS B 36 -12.387 -12.699 8.858 1.00 3.62 N ATOM 0 H LYS B 36 -7.152 -9.393 9.985 1.00 2.08 H new ATOM 0 HA LYS B 36 -6.714 -10.137 7.264 1.00 1.82 H new ATOM 0 HB2 LYS B 36 -8.987 -11.177 7.537 1.00 1.80 H new ATOM 0 HB3 LYS B 36 -7.822 -11.675 8.748 1.00 1.80 H new ATOM 0 HG2 LYS B 36 -8.814 -10.196 10.405 1.00 2.24 H new ATOM 0 HG3 LYS B 36 -9.873 -9.482 9.205 1.00 2.24 H new ATOM 0 HD2 LYS B 36 -9.918 -12.411 10.041 1.00 2.52 H new ATOM 0 HD3 LYS B 36 -11.019 -11.184 10.635 1.00 2.52 H new ATOM 0 HE2 LYS B 36 -11.773 -10.760 8.279 1.00 3.04 H new ATOM 0 HE3 LYS B 36 -10.720 -12.049 7.732 1.00 3.04 H new ATOM 0 HZ1 LYS B 36 -12.979 -12.823 8.012 1.00 3.62 H new ATOM 0 HZ2 LYS B 36 -11.955 -13.609 9.115 1.00 3.62 H new ATOM 0 HZ3 LYS B 36 -12.976 -12.360 9.645 1.00 3.62 H new ATOM 985 N PRO B 37 -8.176 -8.678 5.848 1.00 1.50 N ATOM 986 CA PRO B 37 -8.957 -7.779 4.999 1.00 1.33 C ATOM 987 C PRO B 37 -10.449 -8.102 5.056 1.00 1.15 C ATOM 988 O PRO B 37 -10.840 -9.270 5.045 1.00 1.28 O ATOM 989 CB PRO B 37 -8.401 -8.036 3.597 1.00 1.52 C ATOM 990 CG PRO B 37 -7.828 -9.408 3.657 1.00 1.75 C ATOM 991 CD PRO B 37 -7.310 -9.573 5.056 1.00 1.75 C ATOM 0 HA PRO B 37 -8.874 -6.738 5.312 1.00 1.33 H new ATOM 0 HB2 PRO B 37 -9.185 -7.968 2.843 1.00 1.52 H new ATOM 0 HB3 PRO B 37 -7.640 -7.301 3.333 1.00 1.52 H new ATOM 0 HG2 PRO B 37 -8.585 -10.158 3.429 1.00 1.75 H new ATOM 0 HG3 PRO B 37 -7.028 -9.530 2.927 1.00 1.75 H new ATOM 0 HD2 PRO B 37 -7.385 -10.607 5.393 1.00 1.75 H new ATOM 0 HD3 PRO B 37 -6.261 -9.288 5.132 1.00 1.75 H new ATOM 999 N THR B 38 -11.268 -7.068 5.136 1.00 0.97 N ATOM 1000 CA THR B 38 -12.710 -7.228 5.223 1.00 0.84 C ATOM 1001 C THR B 38 -13.408 -6.305 4.221 1.00 0.72 C ATOM 1002 O THR B 38 -12.754 -5.441 3.634 1.00 0.66 O ATOM 1003 CB THR B 38 -13.202 -6.906 6.649 1.00 0.79 C ATOM 1004 OG1 THR B 38 -12.764 -5.592 7.026 1.00 0.85 O ATOM 1005 CG2 THR B 38 -12.681 -7.929 7.648 1.00 0.95 C ATOM 0 H THR B 38 -10.955 -6.097 5.143 1.00 0.97 H new ATOM 0 HA THR B 38 -12.954 -8.264 4.987 1.00 0.84 H new ATOM 0 HB THR B 38 -14.291 -6.945 6.655 1.00 0.79 H new ATOM 0 HG1 THR B 38 -13.079 -5.389 7.931 1.00 0.85 H new ATOM 0 HG21 THR B 38 -13.042 -7.680 8.646 1.00 0.95 H new ATOM 0 HG22 THR B 38 -13.036 -8.922 7.371 1.00 0.95 H new ATOM 0 HG23 THR B 38 -11.591 -7.920 7.644 1.00 0.95 H new ATOM 1013 N PRO B 39 -14.724 -6.467 3.982 1.00 0.74 N ATOM 1014 CA PRO B 39 -15.466 -5.555 3.109 1.00 0.70 C ATOM 1015 C PRO B 39 -15.328 -4.103 3.549 1.00 0.62 C ATOM 1016 O PRO B 39 -15.105 -3.224 2.725 1.00 0.56 O ATOM 1017 CB PRO B 39 -16.912 -6.016 3.237 1.00 0.78 C ATOM 1018 CG PRO B 39 -16.817 -7.448 3.641 1.00 0.87 C ATOM 1019 CD PRO B 39 -15.582 -7.554 4.496 1.00 0.83 C ATOM 0 HA PRO B 39 -15.094 -5.584 2.085 1.00 0.70 H new ATOM 0 HB2 PRO B 39 -17.451 -5.429 3.981 1.00 0.78 H new ATOM 0 HB3 PRO B 39 -17.448 -5.905 2.295 1.00 0.78 H new ATOM 0 HG2 PRO B 39 -17.703 -7.757 4.195 1.00 0.87 H new ATOM 0 HG3 PRO B 39 -16.744 -8.096 2.768 1.00 0.87 H new ATOM 0 HD2 PRO B 39 -15.811 -7.421 5.553 1.00 0.83 H new ATOM 0 HD3 PRO B 39 -15.103 -8.528 4.394 1.00 0.83 H new ATOM 1027 N ASP B 40 -15.444 -3.861 4.855 1.00 0.65 N ATOM 1028 CA ASP B 40 -15.280 -2.515 5.406 1.00 0.64 C ATOM 1029 C ASP B 40 -13.907 -1.963 5.044 1.00 0.57 C ATOM 1030 O ASP B 40 -13.774 -0.812 4.627 1.00 0.57 O ATOM 1031 CB ASP B 40 -15.448 -2.523 6.928 1.00 0.72 C ATOM 1032 CG ASP B 40 -16.863 -2.853 7.359 1.00 1.44 C ATOM 1033 OD1 ASP B 40 -17.196 -4.053 7.456 1.00 2.22 O ATOM 1034 OD2 ASP B 40 -17.647 -1.916 7.613 1.00 2.16 O ATOM 0 H ASP B 40 -15.651 -4.578 5.550 1.00 0.65 H new ATOM 0 HA ASP B 40 -16.051 -1.877 4.975 1.00 0.64 H new ATOM 0 HB2 ASP B 40 -14.762 -3.251 7.361 1.00 0.72 H new ATOM 0 HB3 ASP B 40 -15.170 -1.547 7.325 1.00 0.72 H new ATOM 1039 N TYR B 41 -12.896 -2.812 5.186 1.00 0.57 N ATOM 1040 CA TYR B 41 -11.528 -2.477 4.810 1.00 0.54 C ATOM 1041 C TYR B 41 -11.467 -2.096 3.333 1.00 0.46 C ATOM 1042 O TYR B 41 -10.748 -1.174 2.946 1.00 0.43 O ATOM 1043 CB TYR B 41 -10.625 -3.681 5.090 1.00 0.61 C ATOM 1044 CG TYR B 41 -9.147 -3.437 4.887 1.00 0.63 C ATOM 1045 CD1 TYR B 41 -8.550 -3.677 3.661 1.00 0.64 C ATOM 1046 CD2 TYR B 41 -8.349 -2.990 5.927 1.00 0.84 C ATOM 1047 CE1 TYR B 41 -7.195 -3.482 3.473 1.00 0.69 C ATOM 1048 CE2 TYR B 41 -6.996 -2.785 5.748 1.00 0.88 C ATOM 1049 CZ TYR B 41 -6.422 -3.035 4.521 1.00 0.73 C ATOM 1050 OH TYR B 41 -5.073 -2.832 4.346 1.00 0.82 O ATOM 0 H TYR B 41 -13.002 -3.753 5.565 1.00 0.57 H new ATOM 0 HA TYR B 41 -11.185 -1.624 5.396 1.00 0.54 H new ATOM 0 HB2 TYR B 41 -10.786 -4.004 6.118 1.00 0.61 H new ATOM 0 HB3 TYR B 41 -10.933 -4.504 4.445 1.00 0.61 H new ATOM 0 HD1 TYR B 41 -9.155 -4.023 2.836 1.00 0.64 H new ATOM 0 HD2 TYR B 41 -8.792 -2.799 6.893 1.00 0.84 H new ATOM 0 HE1 TYR B 41 -6.746 -3.679 2.511 1.00 0.69 H new ATOM 0 HE2 TYR B 41 -6.389 -2.430 6.568 1.00 0.88 H new ATOM 0 HH TYR B 41 -4.736 -3.446 3.661 1.00 0.82 H new ATOM 1060 N LEU B 42 -12.259 -2.788 2.524 1.00 0.44 N ATOM 1061 CA LEU B 42 -12.271 -2.570 1.086 1.00 0.39 C ATOM 1062 C LEU B 42 -13.072 -1.323 0.725 1.00 0.36 C ATOM 1063 O LEU B 42 -12.796 -0.672 -0.283 1.00 0.34 O ATOM 1064 CB LEU B 42 -12.853 -3.790 0.365 1.00 0.43 C ATOM 1065 CG LEU B 42 -12.965 -3.654 -1.157 1.00 0.41 C ATOM 1066 CD1 LEU B 42 -11.600 -3.406 -1.776 1.00 0.37 C ATOM 1067 CD2 LEU B 42 -13.607 -4.894 -1.759 1.00 0.48 C ATOM 0 H LEU B 42 -12.905 -3.510 2.844 1.00 0.44 H new ATOM 0 HA LEU B 42 -11.241 -2.422 0.763 1.00 0.39 H new ATOM 0 HB2 LEU B 42 -12.232 -4.657 0.592 1.00 0.43 H new ATOM 0 HB3 LEU B 42 -13.844 -3.993 0.770 1.00 0.43 H new ATOM 0 HG LEU B 42 -13.601 -2.796 -1.377 1.00 0.41 H new ATOM 0 HD11 LEU B 42 -11.702 -3.313 -2.857 1.00 0.37 H new ATOM 0 HD12 LEU B 42 -11.178 -2.486 -1.371 1.00 0.37 H new ATOM 0 HD13 LEU B 42 -10.939 -4.241 -1.545 1.00 0.37 H new ATOM 0 HD21 LEU B 42 -13.678 -4.778 -2.841 1.00 0.48 H new ATOM 0 HD22 LEU B 42 -12.999 -5.768 -1.527 1.00 0.48 H new ATOM 0 HD23 LEU B 42 -14.605 -5.026 -1.342 1.00 0.48 H new ATOM 1079 N MET B 43 -14.036 -0.961 1.562 1.00 0.39 N ATOM 1080 CA MET B 43 -14.896 0.175 1.262 1.00 0.40 C ATOM 1081 C MET B 43 -14.142 1.450 1.567 1.00 0.36 C ATOM 1082 O MET B 43 -14.256 2.450 0.859 1.00 0.36 O ATOM 1083 CB MET B 43 -16.189 0.136 2.084 1.00 0.47 C ATOM 1084 CG MET B 43 -17.055 -1.098 1.862 1.00 0.63 C ATOM 1085 SD MET B 43 -17.511 -1.356 0.133 1.00 0.85 S ATOM 1086 CE MET B 43 -16.329 -2.615 -0.349 1.00 0.54 C ATOM 0 H MET B 43 -14.240 -1.431 2.444 1.00 0.39 H new ATOM 0 HA MET B 43 -15.170 0.133 0.208 1.00 0.40 H new ATOM 0 HB2 MET B 43 -15.932 0.196 3.142 1.00 0.47 H new ATOM 0 HB3 MET B 43 -16.778 1.022 1.849 1.00 0.47 H new ATOM 0 HG2 MET B 43 -16.521 -1.977 2.224 1.00 0.63 H new ATOM 0 HG3 MET B 43 -17.962 -1.008 2.459 1.00 0.63 H new ATOM 0 HE1 MET B 43 -15.861 -2.333 -1.292 1.00 0.54 H new ATOM 0 HE2 MET B 43 -15.564 -2.710 0.421 1.00 0.54 H new ATOM 0 HE3 MET B 43 -16.842 -3.569 -0.470 1.00 0.54 H new ATOM 1096 N GLN B 44 -13.357 1.393 2.632 1.00 0.36 N ATOM 1097 CA GLN B 44 -12.503 2.500 3.021 1.00 0.35 C ATOM 1098 C GLN B 44 -11.389 2.686 2.003 1.00 0.30 C ATOM 1099 O GLN B 44 -10.979 3.807 1.718 1.00 0.30 O ATOM 1100 CB GLN B 44 -11.908 2.243 4.401 1.00 0.42 C ATOM 1101 CG GLN B 44 -12.946 2.145 5.505 1.00 0.52 C ATOM 1102 CD GLN B 44 -12.361 1.619 6.797 1.00 0.64 C ATOM 1103 OE1 GLN B 44 -11.181 1.819 7.086 1.00 0.92 O ATOM 1104 NE2 GLN B 44 -13.178 0.938 7.579 1.00 0.75 N ATOM 0 H GLN B 44 -13.295 0.582 3.247 1.00 0.36 H new ATOM 0 HA GLN B 44 -13.103 3.409 3.057 1.00 0.35 H new ATOM 0 HB2 GLN B 44 -11.333 1.318 4.372 1.00 0.42 H new ATOM 0 HB3 GLN B 44 -11.210 3.045 4.641 1.00 0.42 H new ATOM 0 HG2 GLN B 44 -13.381 3.129 5.680 1.00 0.52 H new ATOM 0 HG3 GLN B 44 -13.756 1.491 5.182 1.00 0.52 H new ATOM 0 HE21 GLN B 44 -14.149 0.795 7.301 1.00 0.75 H new ATOM 0 HE22 GLN B 44 -12.838 0.554 8.461 1.00 0.75 H new ATOM 1113 N LEU B 45 -10.891 1.576 1.460 1.00 0.27 N ATOM 1114 CA LEU B 45 -9.868 1.628 0.426 1.00 0.25 C ATOM 1115 C LEU B 45 -10.354 2.363 -0.806 1.00 0.23 C ATOM 1116 O LEU B 45 -9.575 3.056 -1.459 1.00 0.23 O ATOM 1117 CB LEU B 45 -9.410 0.223 0.039 1.00 0.29 C ATOM 1118 CG LEU B 45 -8.269 -0.346 0.881 1.00 0.32 C ATOM 1119 CD1 LEU B 45 -7.976 -1.781 0.476 1.00 0.38 C ATOM 1120 CD2 LEU B 45 -7.024 0.514 0.718 1.00 0.31 C ATOM 0 H LEU B 45 -11.181 0.633 1.721 1.00 0.27 H new ATOM 0 HA LEU B 45 -9.023 2.177 0.842 1.00 0.25 H new ATOM 0 HB2 LEU B 45 -10.263 -0.452 0.109 1.00 0.29 H new ATOM 0 HB3 LEU B 45 -9.098 0.235 -1.005 1.00 0.29 H new ATOM 0 HG LEU B 45 -8.568 -0.338 1.929 1.00 0.32 H new ATOM 0 HD11 LEU B 45 -7.161 -2.172 1.085 1.00 0.38 H new ATOM 0 HD12 LEU B 45 -8.867 -2.391 0.627 1.00 0.38 H new ATOM 0 HD13 LEU B 45 -7.690 -1.811 -0.575 1.00 0.38 H new ATOM 0 HD21 LEU B 45 -6.215 0.102 1.321 1.00 0.31 H new ATOM 0 HD22 LEU B 45 -6.725 0.526 -0.330 1.00 0.31 H new ATOM 0 HD23 LEU B 45 -7.239 1.531 1.046 1.00 0.31 H new ATOM 1132 N MET B 46 -11.631 2.218 -1.127 1.00 0.26 N ATOM 1133 CA MET B 46 -12.192 2.935 -2.256 1.00 0.27 C ATOM 1134 C MET B 46 -12.062 4.432 -2.010 1.00 0.26 C ATOM 1135 O MET B 46 -11.563 5.171 -2.864 1.00 0.40 O ATOM 1136 CB MET B 46 -13.655 2.552 -2.489 1.00 0.33 C ATOM 1137 CG MET B 46 -13.859 1.079 -2.814 1.00 0.38 C ATOM 1138 SD MET B 46 -15.518 0.715 -3.430 1.00 0.49 S ATOM 1139 CE MET B 46 -16.536 1.364 -2.106 1.00 0.49 C ATOM 0 H MET B 46 -12.288 1.619 -0.628 1.00 0.26 H new ATOM 0 HA MET B 46 -11.640 2.663 -3.155 1.00 0.27 H new ATOM 0 HB2 MET B 46 -14.233 2.802 -1.599 1.00 0.33 H new ATOM 0 HB3 MET B 46 -14.053 3.154 -3.306 1.00 0.33 H new ATOM 0 HG2 MET B 46 -13.125 0.772 -3.559 1.00 0.38 H new ATOM 0 HG3 MET B 46 -13.671 0.486 -1.919 1.00 0.38 H new ATOM 0 HE1 MET B 46 -17.373 0.689 -1.926 1.00 0.49 H new ATOM 0 HE2 MET B 46 -15.939 1.452 -1.198 1.00 0.49 H new ATOM 0 HE3 MET B 46 -16.916 2.346 -2.387 1.00 0.49 H new ATOM 1149 N ASN B 47 -12.536 4.874 -0.848 1.00 0.24 N ATOM 1150 CA ASN B 47 -12.346 6.251 -0.391 1.00 0.30 C ATOM 1151 C ASN B 47 -10.894 6.713 -0.495 1.00 0.26 C ATOM 1152 O ASN B 47 -10.634 7.788 -1.031 1.00 0.28 O ATOM 1153 CB ASN B 47 -12.829 6.388 1.057 1.00 0.42 C ATOM 1154 CG ASN B 47 -12.734 7.809 1.589 1.00 0.80 C ATOM 1155 OD1 ASN B 47 -13.019 8.788 0.745 1.00 1.60 O flip ATOM 1156 ND2 ASN B 47 -12.438 8.021 2.763 1.00 1.43 N flip ATOM 0 H ASN B 47 -13.062 4.291 -0.197 1.00 0.24 H new ATOM 0 HA ASN B 47 -12.935 6.891 -1.048 1.00 0.30 H new ATOM 0 HB2 ASN B 47 -13.864 6.051 1.121 1.00 0.42 H new ATOM 0 HB3 ASN B 47 -12.239 5.729 1.694 1.00 0.42 H new ATOM 0 HD21 ASN B 47 -12.224 7.241 3.384 1.00 1.43 H new ATOM 0 HD22 ASN B 47 -12.406 8.977 3.116 1.00 1.43 H new ATOM 1163 N ASP B 48 -9.948 5.898 -0.029 1.00 0.24 N ATOM 1164 CA ASP B 48 -8.542 6.308 0.000 1.00 0.25 C ATOM 1165 C ASP B 48 -8.010 6.455 -1.420 1.00 0.25 C ATOM 1166 O ASP B 48 -7.375 7.454 -1.767 1.00 0.30 O ATOM 1167 CB ASP B 48 -7.674 5.286 0.746 1.00 0.25 C ATOM 1168 CG ASP B 48 -7.813 5.330 2.259 1.00 0.29 C ATOM 1169 OD1 ASP B 48 -8.128 6.405 2.809 1.00 0.93 O ATOM 1170 OD2 ASP B 48 -7.556 4.291 2.913 1.00 0.74 O ATOM 0 H ASP B 48 -10.125 4.960 0.330 1.00 0.24 H new ATOM 0 HA ASP B 48 -8.491 7.263 0.523 1.00 0.25 H new ATOM 0 HB2 ASP B 48 -7.932 4.286 0.398 1.00 0.25 H new ATOM 0 HB3 ASP B 48 -6.629 5.455 0.484 1.00 0.25 H new ATOM 1175 N LYS B 49 -8.279 5.433 -2.228 1.00 0.22 N ATOM 1176 CA LYS B 49 -7.893 5.403 -3.631 1.00 0.27 C ATOM 1177 C LYS B 49 -8.376 6.654 -4.353 1.00 0.33 C ATOM 1178 O LYS B 49 -7.618 7.281 -5.097 1.00 0.44 O ATOM 1179 CB LYS B 49 -8.489 4.148 -4.290 1.00 0.31 C ATOM 1180 CG LYS B 49 -7.754 3.660 -5.532 1.00 0.58 C ATOM 1181 CD LYS B 49 -7.914 4.614 -6.709 1.00 0.92 C ATOM 1182 CE LYS B 49 -7.329 4.042 -7.990 1.00 1.45 C ATOM 1183 NZ LYS B 49 -5.893 3.698 -7.844 1.00 2.10 N ATOM 0 H LYS B 49 -8.776 4.596 -1.922 1.00 0.22 H new ATOM 0 HA LYS B 49 -6.806 5.374 -3.700 1.00 0.27 H new ATOM 0 HB2 LYS B 49 -8.504 3.343 -3.555 1.00 0.31 H new ATOM 0 HB3 LYS B 49 -9.525 4.354 -4.557 1.00 0.31 H new ATOM 0 HG2 LYS B 49 -6.695 3.543 -5.303 1.00 0.58 H new ATOM 0 HG3 LYS B 49 -8.130 2.676 -5.811 1.00 0.58 H new ATOM 0 HD2 LYS B 49 -8.972 4.831 -6.859 1.00 0.92 H new ATOM 0 HD3 LYS B 49 -7.424 5.560 -6.478 1.00 0.92 H new ATOM 0 HE2 LYS B 49 -7.887 3.151 -8.276 1.00 1.45 H new ATOM 0 HE3 LYS B 49 -7.448 4.765 -8.797 1.00 1.45 H new ATOM 0 HZ1 LYS B 49 -5.506 3.424 -8.770 1.00 2.10 H new ATOM 0 HZ2 LYS B 49 -5.374 4.523 -7.482 1.00 2.10 H new ATOM 0 HZ3 LYS B 49 -5.792 2.905 -7.178 1.00 2.10 H new ATOM 1197 N LYS B 50 -9.620 7.046 -4.112 1.00 0.30 N ATOM 1198 CA LYS B 50 -10.210 8.146 -4.847 1.00 0.37 C ATOM 1199 C LYS B 50 -9.743 9.472 -4.265 1.00 0.39 C ATOM 1200 O LYS B 50 -9.520 10.432 -5.001 1.00 0.44 O ATOM 1201 CB LYS B 50 -11.738 8.039 -4.812 1.00 0.42 C ATOM 1202 CG LYS B 50 -12.457 9.112 -5.616 1.00 1.14 C ATOM 1203 CD LYS B 50 -13.934 8.785 -5.798 1.00 1.67 C ATOM 1204 CE LYS B 50 -14.667 8.686 -4.469 1.00 2.35 C ATOM 1205 NZ LYS B 50 -14.721 9.991 -3.757 1.00 3.05 N ATOM 0 H LYS B 50 -10.233 6.619 -3.417 1.00 0.30 H new ATOM 0 HA LYS B 50 -9.887 8.098 -5.887 1.00 0.37 H new ATOM 0 HB2 LYS B 50 -12.031 7.060 -5.190 1.00 0.42 H new ATOM 0 HB3 LYS B 50 -12.071 8.093 -3.776 1.00 0.42 H new ATOM 0 HG2 LYS B 50 -12.357 10.073 -5.112 1.00 1.14 H new ATOM 0 HG3 LYS B 50 -11.984 9.213 -6.593 1.00 1.14 H new ATOM 0 HD2 LYS B 50 -14.402 9.554 -6.413 1.00 1.67 H new ATOM 0 HD3 LYS B 50 -14.032 7.843 -6.337 1.00 1.67 H new ATOM 0 HE2 LYS B 50 -15.681 8.326 -4.642 1.00 2.35 H new ATOM 0 HE3 LYS B 50 -14.171 7.950 -3.837 1.00 2.35 H new ATOM 0 HZ1 LYS B 50 -15.315 9.899 -2.908 1.00 3.05 H new ATOM 0 HZ2 LYS B 50 -13.760 10.274 -3.478 1.00 3.05 H new ATOM 0 HZ3 LYS B 50 -15.126 10.713 -4.386 1.00 3.05 H new ATOM 1219 N LEU B 51 -9.611 9.522 -2.941 1.00 0.38 N ATOM 1220 CA LEU B 51 -9.068 10.694 -2.266 1.00 0.44 C ATOM 1221 C LEU B 51 -7.675 11.025 -2.793 1.00 0.43 C ATOM 1222 O LEU B 51 -7.379 12.190 -3.063 1.00 0.47 O ATOM 1223 CB LEU B 51 -9.046 10.475 -0.746 1.00 0.48 C ATOM 1224 CG LEU B 51 -8.996 11.750 0.107 1.00 0.70 C ATOM 1225 CD1 LEU B 51 -9.547 11.478 1.497 1.00 1.10 C ATOM 1226 CD2 LEU B 51 -7.573 12.282 0.211 1.00 1.22 C ATOM 0 H LEU B 51 -9.874 8.761 -2.315 1.00 0.38 H new ATOM 0 HA LEU B 51 -9.715 11.545 -2.477 1.00 0.44 H new ATOM 0 HB2 LEU B 51 -9.933 9.907 -0.466 1.00 0.48 H new ATOM 0 HB3 LEU B 51 -8.181 9.859 -0.498 1.00 0.48 H new ATOM 0 HG LEU B 51 -9.612 12.505 -0.381 1.00 0.70 H new ATOM 0 HD11 LEU B 51 -9.505 12.391 2.090 1.00 1.10 H new ATOM 0 HD12 LEU B 51 -10.581 11.143 1.419 1.00 1.10 H new ATOM 0 HD13 LEU B 51 -8.950 10.704 1.980 1.00 1.10 H new ATOM 0 HD21 LEU B 51 -7.566 13.186 0.821 1.00 1.22 H new ATOM 0 HD22 LEU B 51 -6.935 11.528 0.673 1.00 1.22 H new ATOM 0 HD23 LEU B 51 -7.197 12.514 -0.786 1.00 1.22 H new ATOM 1238 N MET B 52 -6.819 10.014 -2.965 1.00 0.39 N ATOM 1239 CA MET B 52 -5.518 10.240 -3.583 1.00 0.37 C ATOM 1240 C MET B 52 -5.688 10.819 -4.980 1.00 0.41 C ATOM 1241 O MET B 52 -4.987 11.749 -5.368 1.00 0.47 O ATOM 1242 CB MET B 52 -4.696 8.948 -3.649 1.00 0.33 C ATOM 1243 CG MET B 52 -4.025 8.580 -2.348 1.00 1.29 C ATOM 1244 SD MET B 52 -2.944 7.151 -2.513 1.00 1.25 S ATOM 1245 CE MET B 52 -4.140 5.862 -2.837 1.00 0.32 C ATOM 0 H MET B 52 -7.002 9.049 -2.689 1.00 0.39 H new ATOM 0 HA MET B 52 -4.977 10.954 -2.962 1.00 0.37 H new ATOM 0 HB2 MET B 52 -5.348 8.130 -3.954 1.00 0.33 H new ATOM 0 HB3 MET B 52 -3.934 9.053 -4.422 1.00 0.33 H new ATOM 0 HG2 MET B 52 -3.446 9.430 -1.988 1.00 1.29 H new ATOM 0 HG3 MET B 52 -4.786 8.371 -1.596 1.00 1.29 H new ATOM 0 HE1 MET B 52 -3.621 4.921 -3.016 1.00 0.32 H new ATOM 0 HE2 MET B 52 -4.801 5.754 -1.977 1.00 0.32 H new ATOM 0 HE3 MET B 52 -4.729 6.124 -3.716 1.00 0.32 H new ATOM 1255 N SER B 53 -6.674 10.311 -5.707 1.00 0.41 N ATOM 1256 CA SER B 53 -6.925 10.748 -7.072 1.00 0.47 C ATOM 1257 C SER B 53 -7.657 12.097 -7.089 1.00 0.51 C ATOM 1258 O SER B 53 -7.996 12.616 -8.154 1.00 0.62 O ATOM 1259 CB SER B 53 -7.734 9.684 -7.822 1.00 0.52 C ATOM 1260 OG SER B 53 -7.819 9.977 -9.209 1.00 1.15 O ATOM 0 H SER B 53 -7.315 9.592 -5.371 1.00 0.41 H new ATOM 0 HA SER B 53 -5.967 10.881 -7.576 1.00 0.47 H new ATOM 0 HB2 SER B 53 -7.270 8.708 -7.683 1.00 0.52 H new ATOM 0 HB3 SER B 53 -8.737 9.623 -7.400 1.00 0.52 H new ATOM 0 HG SER B 53 -7.924 10.943 -9.333 1.00 1.15 H new ATOM 1266 N SER B 54 -7.871 12.674 -5.912 1.00 0.49 N ATOM 1267 CA SER B 54 -8.533 13.966 -5.791 1.00 0.54 C ATOM 1268 C SER B 54 -7.476 15.028 -5.515 1.00 0.53 C ATOM 1269 O SER B 54 -7.721 16.231 -5.617 1.00 0.53 O ATOM 1270 CB SER B 54 -9.567 13.927 -4.656 1.00 0.60 C ATOM 1271 OG SER B 54 -10.251 15.163 -4.521 1.00 1.30 O ATOM 0 H SER B 54 -7.593 12.262 -5.021 1.00 0.49 H new ATOM 0 HA SER B 54 -9.058 14.204 -6.716 1.00 0.54 H new ATOM 0 HB2 SER B 54 -10.288 13.132 -4.849 1.00 0.60 H new ATOM 0 HB3 SER B 54 -9.068 13.684 -3.718 1.00 0.60 H new ATOM 0 HG SER B 54 -9.709 15.881 -4.910 1.00 1.30 H new ATOM 1277 N LEU B 55 -6.287 14.553 -5.179 1.00 0.55 N ATOM 1278 CA LEU B 55 -5.165 15.425 -4.904 1.00 0.57 C ATOM 1279 C LEU B 55 -4.451 15.756 -6.206 1.00 0.65 C ATOM 1280 O LEU B 55 -4.037 14.858 -6.938 1.00 0.65 O ATOM 1281 CB LEU B 55 -4.200 14.762 -3.918 1.00 0.51 C ATOM 1282 CG LEU B 55 -4.818 14.357 -2.575 1.00 0.53 C ATOM 1283 CD1 LEU B 55 -3.778 13.701 -1.683 1.00 0.56 C ATOM 1284 CD2 LEU B 55 -5.433 15.562 -1.879 1.00 0.65 C ATOM 0 H LEU B 55 -6.077 13.559 -5.091 1.00 0.55 H new ATOM 0 HA LEU B 55 -5.531 16.347 -4.451 1.00 0.57 H new ATOM 0 HB2 LEU B 55 -3.778 13.874 -4.388 1.00 0.51 H new ATOM 0 HB3 LEU B 55 -3.373 15.446 -3.728 1.00 0.51 H new ATOM 0 HG LEU B 55 -5.610 13.634 -2.770 1.00 0.53 H new ATOM 0 HD11 LEU B 55 -4.237 13.421 -0.735 1.00 0.56 H new ATOM 0 HD12 LEU B 55 -3.387 12.810 -2.174 1.00 0.56 H new ATOM 0 HD13 LEU B 55 -2.963 14.401 -1.499 1.00 0.56 H new ATOM 0 HD21 LEU B 55 -5.866 15.251 -0.928 1.00 0.65 H new ATOM 0 HD22 LEU B 55 -4.662 16.311 -1.699 1.00 0.65 H new ATOM 0 HD23 LEU B 55 -6.213 15.988 -2.510 1.00 0.65 H new ATOM 1296 N PRO B 56 -4.292 17.050 -6.513 1.00 0.81 N ATOM 1297 CA PRO B 56 -3.702 17.490 -7.775 1.00 0.95 C ATOM 1298 C PRO B 56 -2.189 17.330 -7.777 1.00 0.88 C ATOM 1299 O PRO B 56 -1.523 17.595 -8.777 1.00 1.19 O ATOM 1300 CB PRO B 56 -4.088 18.964 -7.850 1.00 1.14 C ATOM 1301 CG PRO B 56 -4.223 19.398 -6.433 1.00 1.26 C ATOM 1302 CD PRO B 56 -4.655 18.184 -5.648 1.00 0.98 C ATOM 0 HA PRO B 56 -4.055 16.905 -8.625 1.00 0.95 H new ATOM 0 HB2 PRO B 56 -3.327 19.546 -8.370 1.00 1.14 H new ATOM 0 HB3 PRO B 56 -5.022 19.100 -8.395 1.00 1.14 H new ATOM 0 HG2 PRO B 56 -3.277 19.787 -6.055 1.00 1.26 H new ATOM 0 HG3 PRO B 56 -4.956 20.199 -6.342 1.00 1.26 H new ATOM 0 HD2 PRO B 56 -4.147 18.130 -4.685 1.00 0.98 H new ATOM 0 HD3 PRO B 56 -5.725 18.202 -5.443 1.00 0.98 H new ATOM 1310 N ASN B 57 -1.651 16.891 -6.650 1.00 0.63 N ATOM 1311 CA ASN B 57 -0.223 16.671 -6.527 1.00 0.62 C ATOM 1312 C ASN B 57 0.081 15.182 -6.521 1.00 0.57 C ATOM 1313 O ASN B 57 1.238 14.769 -6.418 1.00 0.59 O ATOM 1314 CB ASN B 57 0.330 17.331 -5.262 1.00 0.68 C ATOM 1315 CG ASN B 57 0.254 18.845 -5.320 1.00 1.32 C ATOM 1316 OD1 ASN B 57 1.155 19.504 -5.840 1.00 2.22 O ATOM 1317 ND2 ASN B 57 -0.813 19.407 -4.774 1.00 1.73 N ATOM 0 H ASN B 57 -2.185 16.680 -5.807 1.00 0.63 H new ATOM 0 HA ASN B 57 0.265 17.129 -7.387 1.00 0.62 H new ATOM 0 HB2 ASN B 57 -0.228 16.975 -4.396 1.00 0.68 H new ATOM 0 HB3 ASN B 57 1.367 17.027 -5.120 1.00 0.68 H new ATOM 0 HD21 ASN B 57 -0.911 20.422 -4.774 1.00 1.73 H new ATOM 0 HD22 ASN B 57 -1.537 18.825 -4.353 1.00 1.73 H new ATOM 1324 N PHE B 58 -0.965 14.371 -6.648 1.00 0.62 N ATOM 1325 CA PHE B 58 -0.816 12.924 -6.673 1.00 0.70 C ATOM 1326 C PHE B 58 -0.384 12.479 -8.058 1.00 0.90 C ATOM 1327 O PHE B 58 -1.138 11.857 -8.808 1.00 1.77 O ATOM 1328 CB PHE B 58 -2.118 12.248 -6.295 1.00 0.69 C ATOM 1329 CG PHE B 58 -2.005 10.762 -6.095 1.00 0.65 C ATOM 1330 CD1 PHE B 58 -1.214 10.244 -5.083 1.00 0.90 C ATOM 1331 CD2 PHE B 58 -2.700 9.885 -6.913 1.00 1.13 C ATOM 1332 CE1 PHE B 58 -1.115 8.881 -4.893 1.00 0.90 C ATOM 1333 CE2 PHE B 58 -2.603 8.521 -6.727 1.00 1.15 C ATOM 1334 CZ PHE B 58 -1.811 8.019 -5.715 1.00 0.69 C ATOM 0 H PHE B 58 -1.928 14.696 -6.735 1.00 0.62 H new ATOM 0 HA PHE B 58 -0.055 12.637 -5.947 1.00 0.70 H new ATOM 0 HB2 PHE B 58 -2.496 12.699 -5.377 1.00 0.69 H new ATOM 0 HB3 PHE B 58 -2.855 12.444 -7.073 1.00 0.69 H new ATOM 0 HD1 PHE B 58 -0.669 10.914 -4.435 1.00 0.90 H new ATOM 0 HD2 PHE B 58 -3.324 10.273 -7.704 1.00 1.13 H new ATOM 0 HE1 PHE B 58 -0.493 8.489 -4.102 1.00 0.90 H new ATOM 0 HE2 PHE B 58 -3.146 7.847 -7.373 1.00 1.15 H new ATOM 0 HZ PHE B 58 -1.736 6.952 -5.566 1.00 0.69 H new ATOM 1344 N SER B 59 0.832 12.826 -8.371 1.00 0.91 N ATOM 1345 CA SER B 59 1.450 12.548 -9.653 1.00 1.02 C ATOM 1346 C SER B 59 2.946 12.776 -9.512 1.00 1.10 C ATOM 1347 O SER B 59 3.543 13.556 -10.256 1.00 1.84 O ATOM 1348 CB SER B 59 0.880 13.461 -10.752 1.00 1.21 C ATOM 1349 OG SER B 59 -0.515 13.269 -10.918 1.00 1.84 O ATOM 0 H SER B 59 1.446 13.325 -7.727 1.00 0.91 H new ATOM 0 HA SER B 59 1.243 11.518 -9.942 1.00 1.02 H new ATOM 0 HB2 SER B 59 1.077 14.503 -10.499 1.00 1.21 H new ATOM 0 HB3 SER B 59 1.390 13.260 -11.694 1.00 1.21 H new ATOM 0 HG SER B 59 -0.798 12.475 -10.418 1.00 1.84 H new ATOM 1355 N GLY B 60 3.546 12.111 -8.536 1.00 0.91 N ATOM 1356 CA GLY B 60 4.936 12.356 -8.237 1.00 0.88 C ATOM 1357 C GLY B 60 5.236 12.333 -6.752 1.00 0.67 C ATOM 1358 O GLY B 60 6.362 12.023 -6.358 1.00 0.74 O ATOM 0 H GLY B 60 3.095 11.409 -7.949 1.00 0.91 H new ATOM 0 HA2 GLY B 60 5.547 11.605 -8.737 1.00 0.88 H new ATOM 0 HA3 GLY B 60 5.224 13.325 -8.645 1.00 0.88 H new ATOM 1362 N ILE B 61 4.247 12.673 -5.916 1.00 0.51 N ATOM 1363 CA ILE B 61 4.463 12.680 -4.470 1.00 0.54 C ATOM 1364 C ILE B 61 4.847 11.300 -3.956 1.00 0.73 C ATOM 1365 O ILE B 61 5.898 11.142 -3.343 1.00 1.81 O ATOM 1366 CB ILE B 61 3.263 13.236 -3.656 1.00 0.58 C ATOM 1367 CG1 ILE B 61 1.930 12.611 -4.089 1.00 0.64 C ATOM 1368 CG2 ILE B 61 3.210 14.752 -3.764 1.00 0.79 C ATOM 1369 CD1 ILE B 61 0.729 13.200 -3.378 1.00 0.79 C ATOM 0 H ILE B 61 3.308 12.941 -6.211 1.00 0.51 H new ATOM 0 HA ILE B 61 5.293 13.368 -4.312 1.00 0.54 H new ATOM 0 HB ILE B 61 3.418 12.961 -2.613 1.00 0.58 H new ATOM 0 HG12 ILE B 61 1.807 12.744 -5.164 1.00 0.64 H new ATOM 0 HG13 ILE B 61 1.963 11.538 -3.902 1.00 0.64 H new ATOM 0 HG21 ILE B 61 2.364 15.128 -3.189 1.00 0.79 H new ATOM 0 HG22 ILE B 61 4.134 15.177 -3.372 1.00 0.79 H new ATOM 0 HG23 ILE B 61 3.094 15.038 -4.809 1.00 0.79 H new ATOM 0 HD11 ILE B 61 -0.179 12.712 -3.732 1.00 0.79 H new ATOM 0 HD12 ILE B 61 0.829 13.044 -2.304 1.00 0.79 H new ATOM 0 HD13 ILE B 61 0.671 14.269 -3.585 1.00 0.79 H new ATOM 1381 N PHE B 62 4.023 10.295 -4.207 1.00 0.58 N ATOM 1382 CA PHE B 62 4.339 8.944 -3.774 1.00 0.50 C ATOM 1383 C PHE B 62 4.574 8.058 -4.981 1.00 0.51 C ATOM 1384 O PHE B 62 3.929 8.223 -6.017 1.00 0.76 O ATOM 1385 CB PHE B 62 3.189 8.369 -2.950 1.00 0.50 C ATOM 1386 CG PHE B 62 2.621 9.329 -1.949 1.00 0.48 C ATOM 1387 CD1 PHE B 62 3.444 10.006 -1.066 1.00 0.48 C ATOM 1388 CD2 PHE B 62 1.258 9.552 -1.893 1.00 0.64 C ATOM 1389 CE1 PHE B 62 2.919 10.886 -0.148 1.00 0.53 C ATOM 1390 CE2 PHE B 62 0.726 10.431 -0.976 1.00 0.68 C ATOM 1391 CZ PHE B 62 1.556 11.099 -0.102 1.00 0.59 C ATOM 0 H PHE B 62 3.137 10.388 -4.704 1.00 0.58 H new ATOM 0 HA PHE B 62 5.240 8.979 -3.161 1.00 0.50 H new ATOM 0 HB2 PHE B 62 2.395 8.051 -3.625 1.00 0.50 H new ATOM 0 HB3 PHE B 62 3.539 7.479 -2.427 1.00 0.50 H new ATOM 0 HD1 PHE B 62 4.511 9.842 -1.098 1.00 0.48 H new ATOM 0 HD2 PHE B 62 0.603 9.031 -2.576 1.00 0.64 H new ATOM 0 HE1 PHE B 62 3.572 11.409 0.535 1.00 0.53 H new ATOM 0 HE2 PHE B 62 -0.341 10.597 -0.942 1.00 0.68 H new ATOM 0 HZ PHE B 62 1.141 11.788 0.618 1.00 0.59 H new ATOM 1401 N THR B 63 5.496 7.125 -4.850 1.00 0.35 N ATOM 1402 CA THR B 63 5.786 6.197 -5.922 1.00 0.38 C ATOM 1403 C THR B 63 4.919 4.943 -5.816 1.00 0.30 C ATOM 1404 O THR B 63 4.073 4.685 -6.670 1.00 0.38 O ATOM 1405 CB THR B 63 7.274 5.796 -5.917 1.00 0.49 C ATOM 1406 OG1 THR B 63 8.091 6.973 -5.943 1.00 0.79 O ATOM 1407 CG2 THR B 63 7.610 4.918 -7.113 1.00 0.66 C ATOM 0 H THR B 63 6.058 6.990 -4.009 1.00 0.35 H new ATOM 0 HA THR B 63 5.558 6.704 -6.860 1.00 0.38 H new ATOM 0 HB THR B 63 7.471 5.228 -5.008 1.00 0.49 H new ATOM 0 HG1 THR B 63 9.036 6.715 -5.938 1.00 0.79 H new ATOM 0 HG21 THR B 63 8.666 4.651 -7.083 1.00 0.66 H new ATOM 0 HG22 THR B 63 7.005 4.012 -7.080 1.00 0.66 H new ATOM 0 HG23 THR B 63 7.399 5.462 -8.034 1.00 0.66 H new ATOM 1415 N HIS B 64 5.117 4.174 -4.754 1.00 0.26 N ATOM 1416 CA HIS B 64 4.504 2.851 -4.653 1.00 0.25 C ATOM 1417 C HIS B 64 3.142 2.869 -3.979 1.00 0.25 C ATOM 1418 O HIS B 64 2.426 1.872 -4.026 1.00 0.54 O ATOM 1419 CB HIS B 64 5.427 1.882 -3.919 1.00 0.34 C ATOM 1420 CG HIS B 64 6.734 1.695 -4.612 1.00 0.43 C ATOM 1421 ND1 HIS B 64 6.864 1.026 -5.808 1.00 0.86 N ATOM 1422 CD2 HIS B 64 7.969 2.127 -4.289 1.00 0.71 C ATOM 1423 CE1 HIS B 64 8.123 1.057 -6.192 1.00 0.83 C ATOM 1424 NE2 HIS B 64 8.820 1.721 -5.290 1.00 0.68 N ATOM 0 H HIS B 64 5.692 4.438 -3.954 1.00 0.26 H new ATOM 0 HA HIS B 64 4.351 2.513 -5.678 1.00 0.25 H new ATOM 0 HB2 HIS B 64 5.606 2.251 -2.909 1.00 0.34 H new ATOM 0 HB3 HIS B 64 4.930 0.917 -3.822 1.00 0.34 H new ATOM 0 HD1 HIS B 64 6.103 0.576 -6.317 1.00 0.86 H new ATOM 0 HD2 HIS B 64 8.240 2.688 -3.407 1.00 0.71 H new ATOM 0 HE1 HIS B 64 8.519 0.613 -7.094 1.00 0.83 H new ATOM 1433 N LEU B 65 2.767 3.988 -3.371 1.00 0.32 N ATOM 1434 CA LEU B 65 1.524 4.050 -2.600 1.00 0.22 C ATOM 1435 C LEU B 65 0.328 3.801 -3.514 1.00 0.21 C ATOM 1436 O LEU B 65 -0.584 3.049 -3.172 1.00 0.24 O ATOM 1437 CB LEU B 65 1.388 5.408 -1.891 1.00 0.29 C ATOM 1438 CG LEU B 65 2.197 5.581 -0.588 1.00 0.36 C ATOM 1439 CD1 LEU B 65 1.600 4.763 0.541 1.00 0.84 C ATOM 1440 CD2 LEU B 65 3.655 5.197 -0.786 1.00 0.99 C ATOM 0 H LEU B 65 3.298 4.859 -3.394 1.00 0.32 H new ATOM 0 HA LEU B 65 1.551 3.272 -1.837 1.00 0.22 H new ATOM 0 HB2 LEU B 65 1.690 6.190 -2.588 1.00 0.29 H new ATOM 0 HB3 LEU B 65 0.335 5.572 -1.664 1.00 0.29 H new ATOM 0 HG LEU B 65 2.149 6.636 -0.319 1.00 0.36 H new ATOM 0 HD11 LEU B 65 2.191 4.905 1.446 1.00 0.84 H new ATOM 0 HD12 LEU B 65 0.575 5.087 0.723 1.00 0.84 H new ATOM 0 HD13 LEU B 65 1.604 3.708 0.267 1.00 0.84 H new ATOM 0 HD21 LEU B 65 4.197 5.330 0.150 1.00 0.99 H new ATOM 0 HD22 LEU B 65 3.718 4.154 -1.096 1.00 0.99 H new ATOM 0 HD23 LEU B 65 4.097 5.831 -1.554 1.00 0.99 H new ATOM 1452 N GLU B 66 0.351 4.434 -4.686 1.00 0.31 N ATOM 1453 CA GLU B 66 -0.667 4.220 -5.708 1.00 0.40 C ATOM 1454 C GLU B 66 -0.790 2.736 -6.056 1.00 0.38 C ATOM 1455 O GLU B 66 -1.878 2.155 -5.976 1.00 0.38 O ATOM 1456 CB GLU B 66 -0.313 5.020 -6.965 1.00 0.53 C ATOM 1457 CG GLU B 66 -1.379 4.972 -8.045 1.00 0.88 C ATOM 1458 CD GLU B 66 -0.966 5.696 -9.308 1.00 1.12 C ATOM 1459 OE1 GLU B 66 -0.549 5.024 -10.274 1.00 1.75 O ATOM 1460 OE2 GLU B 66 -1.061 6.939 -9.344 1.00 1.75 O ATOM 0 H GLU B 66 1.072 5.105 -4.951 1.00 0.31 H new ATOM 0 HA GLU B 66 -1.625 4.560 -5.316 1.00 0.40 H new ATOM 0 HB2 GLU B 66 -0.139 6.059 -6.686 1.00 0.53 H new ATOM 0 HB3 GLU B 66 0.623 4.639 -7.375 1.00 0.53 H new ATOM 0 HG2 GLU B 66 -1.601 3.932 -8.284 1.00 0.88 H new ATOM 0 HG3 GLU B 66 -2.298 5.415 -7.662 1.00 0.88 H new ATOM 1467 N ARG B 67 0.332 2.132 -6.444 1.00 0.42 N ATOM 1468 CA ARG B 67 0.365 0.714 -6.802 1.00 0.44 C ATOM 1469 C ARG B 67 -0.166 -0.163 -5.671 1.00 0.39 C ATOM 1470 O ARG B 67 -0.866 -1.147 -5.914 1.00 0.40 O ATOM 1471 CB ARG B 67 1.784 0.263 -7.154 1.00 0.54 C ATOM 1472 CG ARG B 67 1.867 -1.226 -7.447 1.00 0.74 C ATOM 1473 CD ARG B 67 3.297 -1.718 -7.531 1.00 0.86 C ATOM 1474 NE ARG B 67 3.354 -3.157 -7.304 1.00 1.08 N ATOM 1475 CZ ARG B 67 4.451 -3.896 -7.382 1.00 1.45 C ATOM 1476 NH1 ARG B 67 5.580 -3.369 -7.835 1.00 1.71 N ATOM 1477 NH2 ARG B 67 4.403 -5.177 -7.032 1.00 2.07 N ATOM 0 H ARG B 67 1.233 2.604 -6.519 1.00 0.42 H new ATOM 0 HA ARG B 67 -0.278 0.598 -7.674 1.00 0.44 H new ATOM 0 HB2 ARG B 67 2.134 0.821 -8.023 1.00 0.54 H new ATOM 0 HB3 ARG B 67 2.454 0.505 -6.329 1.00 0.54 H new ATOM 0 HG2 ARG B 67 1.341 -1.777 -6.667 1.00 0.74 H new ATOM 0 HG3 ARG B 67 1.357 -1.438 -8.387 1.00 0.74 H new ATOM 0 HD2 ARG B 67 3.713 -1.481 -8.510 1.00 0.86 H new ATOM 0 HD3 ARG B 67 3.910 -1.202 -6.792 1.00 0.86 H new ATOM 0 HE ARG B 67 2.483 -3.631 -7.067 1.00 1.08 H new ATOM 0 HH11 ARG B 67 5.606 -2.391 -8.125 1.00 1.71 H new ATOM 0 HH12 ARG B 67 6.422 -3.941 -7.894 1.00 1.71 H new ATOM 0 HH21 ARG B 67 3.526 -5.584 -6.706 1.00 2.07 H new ATOM 0 HH22 ARG B 67 5.243 -5.753 -7.089 1.00 2.07 H new ATOM 1491 N LEU B 68 0.157 0.202 -4.438 1.00 0.36 N ATOM 1492 CA LEU B 68 -0.217 -0.604 -3.286 1.00 0.34 C ATOM 1493 C LEU B 68 -1.727 -0.688 -3.104 1.00 0.31 C ATOM 1494 O LEU B 68 -2.222 -1.655 -2.546 1.00 0.41 O ATOM 1495 CB LEU B 68 0.457 -0.088 -2.016 1.00 0.33 C ATOM 1496 CG LEU B 68 1.943 -0.422 -1.899 1.00 0.41 C ATOM 1497 CD1 LEU B 68 2.449 -0.082 -0.512 1.00 0.37 C ATOM 1498 CD2 LEU B 68 2.191 -1.889 -2.212 1.00 0.62 C ATOM 0 H LEU B 68 0.676 1.050 -4.211 1.00 0.36 H new ATOM 0 HA LEU B 68 0.138 -1.617 -3.478 1.00 0.34 H new ATOM 0 HB2 LEU B 68 0.338 0.995 -1.972 1.00 0.33 H new ATOM 0 HB3 LEU B 68 -0.063 -0.501 -1.152 1.00 0.33 H new ATOM 0 HG LEU B 68 2.490 0.178 -2.627 1.00 0.41 H new ATOM 0 HD11 LEU B 68 3.509 -0.325 -0.442 1.00 0.37 H new ATOM 0 HD12 LEU B 68 2.307 0.982 -0.324 1.00 0.37 H new ATOM 0 HD13 LEU B 68 1.895 -0.658 0.229 1.00 0.37 H new ATOM 0 HD21 LEU B 68 3.256 -2.105 -2.123 1.00 0.62 H new ATOM 0 HD22 LEU B 68 1.635 -2.510 -1.510 1.00 0.62 H new ATOM 0 HD23 LEU B 68 1.861 -2.105 -3.228 1.00 0.62 H new ATOM 1510 N LEU B 69 -2.463 0.294 -3.602 1.00 0.27 N ATOM 1511 CA LEU B 69 -3.921 0.203 -3.574 1.00 0.24 C ATOM 1512 C LEU B 69 -4.381 -0.725 -4.688 1.00 0.25 C ATOM 1513 O LEU B 69 -5.272 -1.567 -4.513 1.00 0.26 O ATOM 1514 CB LEU B 69 -4.597 1.578 -3.711 1.00 0.25 C ATOM 1515 CG LEU B 69 -4.796 2.365 -2.405 1.00 0.24 C ATOM 1516 CD1 LEU B 69 -6.234 2.800 -2.257 1.00 0.26 C ATOM 1517 CD2 LEU B 69 -4.396 1.543 -1.203 1.00 0.30 C ATOM 0 H LEU B 69 -2.090 1.145 -4.022 1.00 0.27 H new ATOM 0 HA LEU B 69 -4.216 -0.196 -2.604 1.00 0.24 H new ATOM 0 HB2 LEU B 69 -4.002 2.187 -4.392 1.00 0.25 H new ATOM 0 HB3 LEU B 69 -5.571 1.437 -4.179 1.00 0.25 H new ATOM 0 HG LEU B 69 -4.156 3.246 -2.456 1.00 0.24 H new ATOM 0 HD11 LEU B 69 -6.352 3.355 -1.326 1.00 0.26 H new ATOM 0 HD12 LEU B 69 -6.510 3.437 -3.097 1.00 0.26 H new ATOM 0 HD13 LEU B 69 -6.880 1.922 -2.240 1.00 0.26 H new ATOM 0 HD21 LEU B 69 -4.548 2.127 -0.296 1.00 0.30 H new ATOM 0 HD22 LEU B 69 -5.006 0.641 -1.160 1.00 0.30 H new ATOM 0 HD23 LEU B 69 -3.345 1.267 -1.284 1.00 0.30 H new ATOM 1529 N ASP B 70 -3.705 -0.626 -5.817 1.00 0.30 N ATOM 1530 CA ASP B 70 -4.055 -1.423 -6.975 1.00 0.35 C ATOM 1531 C ASP B 70 -3.840 -2.895 -6.673 1.00 0.38 C ATOM 1532 O ASP B 70 -4.590 -3.743 -7.138 1.00 0.43 O ATOM 1533 CB ASP B 70 -3.235 -0.984 -8.188 1.00 0.43 C ATOM 1534 CG ASP B 70 -3.353 -1.933 -9.363 1.00 0.91 C ATOM 1535 OD1 ASP B 70 -2.420 -2.735 -9.579 1.00 1.62 O ATOM 1536 OD2 ASP B 70 -4.374 -1.878 -10.078 1.00 1.56 O ATOM 0 H ASP B 70 -2.911 -0.001 -5.956 1.00 0.30 H new ATOM 0 HA ASP B 70 -5.109 -1.271 -7.210 1.00 0.35 H new ATOM 0 HB2 ASP B 70 -3.559 0.009 -8.498 1.00 0.43 H new ATOM 0 HB3 ASP B 70 -2.187 -0.902 -7.900 1.00 0.43 H new ATOM 1541 N GLU B 71 -2.811 -3.205 -5.892 1.00 0.42 N ATOM 1542 CA GLU B 71 -2.583 -4.565 -5.448 1.00 0.50 C ATOM 1543 C GLU B 71 -3.416 -4.938 -4.220 1.00 0.46 C ATOM 1544 O GLU B 71 -4.033 -6.000 -4.207 1.00 0.49 O ATOM 1545 CB GLU B 71 -1.102 -4.768 -5.167 1.00 0.61 C ATOM 1546 CG GLU B 71 -0.447 -5.724 -6.147 1.00 0.94 C ATOM 1547 CD GLU B 71 0.951 -5.307 -6.538 1.00 1.47 C ATOM 1548 OE1 GLU B 71 1.926 -5.848 -5.976 1.00 2.14 O ATOM 1549 OE2 GLU B 71 1.078 -4.443 -7.425 1.00 2.18 O ATOM 0 H GLU B 71 -2.125 -2.529 -5.556 1.00 0.42 H new ATOM 0 HA GLU B 71 -2.904 -5.228 -6.252 1.00 0.50 H new ATOM 0 HB2 GLU B 71 -0.593 -3.805 -5.209 1.00 0.61 H new ATOM 0 HB3 GLU B 71 -0.977 -5.150 -4.154 1.00 0.61 H new ATOM 0 HG2 GLU B 71 -0.412 -6.720 -5.706 1.00 0.94 H new ATOM 0 HG3 GLU B 71 -1.063 -5.794 -7.044 1.00 0.94 H new ATOM 1556 N GLU B 72 -3.449 -4.078 -3.200 1.00 0.43 N ATOM 1557 CA GLU B 72 -4.189 -4.389 -1.970 1.00 0.45 C ATOM 1558 C GLU B 72 -5.672 -4.514 -2.267 1.00 0.42 C ATOM 1559 O GLU B 72 -6.303 -5.511 -1.934 1.00 0.47 O ATOM 1560 CB GLU B 72 -3.977 -3.320 -0.892 1.00 0.46 C ATOM 1561 CG GLU B 72 -4.818 -3.542 0.362 1.00 0.57 C ATOM 1562 CD GLU B 72 -4.374 -4.742 1.180 1.00 0.91 C ATOM 1563 OE1 GLU B 72 -4.139 -4.583 2.394 1.00 1.69 O ATOM 1564 OE2 GLU B 72 -4.265 -5.847 0.612 1.00 1.33 O ATOM 0 H GLU B 72 -2.980 -3.172 -3.197 1.00 0.43 H new ATOM 0 HA GLU B 72 -3.805 -5.336 -1.592 1.00 0.45 H new ATOM 0 HB2 GLU B 72 -2.923 -3.300 -0.614 1.00 0.46 H new ATOM 0 HB3 GLU B 72 -4.215 -2.342 -1.310 1.00 0.46 H new ATOM 0 HG2 GLU B 72 -4.771 -2.649 0.985 1.00 0.57 H new ATOM 0 HG3 GLU B 72 -5.861 -3.674 0.073 1.00 0.57 H new ATOM 1571 N ILE B 73 -6.211 -3.518 -2.946 1.00 0.35 N ATOM 1572 CA ILE B 73 -7.624 -3.510 -3.288 1.00 0.35 C ATOM 1573 C ILE B 73 -7.939 -4.725 -4.139 1.00 0.40 C ATOM 1574 O ILE B 73 -8.941 -5.407 -3.928 1.00 0.45 O ATOM 1575 CB ILE B 73 -8.020 -2.215 -4.034 1.00 0.29 C ATOM 1576 CG1 ILE B 73 -8.052 -1.044 -3.054 1.00 0.27 C ATOM 1577 CG2 ILE B 73 -9.358 -2.361 -4.744 1.00 0.33 C ATOM 1578 CD1 ILE B 73 -8.409 0.278 -3.692 1.00 0.27 C ATOM 0 H ILE B 73 -5.692 -2.703 -3.272 1.00 0.35 H new ATOM 0 HA ILE B 73 -8.204 -3.545 -2.366 1.00 0.35 H new ATOM 0 HB ILE B 73 -7.270 -2.021 -4.800 1.00 0.29 H new ATOM 0 HG12 ILE B 73 -8.772 -1.262 -2.266 1.00 0.27 H new ATOM 0 HG13 ILE B 73 -7.076 -0.955 -2.578 1.00 0.27 H new ATOM 0 HG21 ILE B 73 -9.601 -1.430 -5.256 1.00 0.33 H new ATOM 0 HG22 ILE B 73 -9.298 -3.171 -5.471 1.00 0.33 H new ATOM 0 HG23 ILE B 73 -10.135 -2.587 -4.013 1.00 0.33 H new ATOM 0 HD11 ILE B 73 -8.411 1.060 -2.932 1.00 0.27 H new ATOM 0 HD12 ILE B 73 -7.675 0.521 -4.461 1.00 0.27 H new ATOM 0 HD13 ILE B 73 -9.399 0.209 -4.144 1.00 0.27 H new ATOM 1590 N SER B 74 -7.045 -5.012 -5.069 1.00 0.41 N ATOM 1591 CA SER B 74 -7.206 -6.172 -5.945 1.00 0.49 C ATOM 1592 C SER B 74 -7.204 -7.493 -5.159 1.00 0.54 C ATOM 1593 O SER B 74 -8.029 -8.374 -5.413 1.00 0.60 O ATOM 1594 CB SER B 74 -6.103 -6.196 -7.005 1.00 0.52 C ATOM 1595 OG SER B 74 -6.325 -7.210 -7.969 1.00 1.34 O ATOM 0 H SER B 74 -6.202 -4.464 -5.241 1.00 0.41 H new ATOM 0 HA SER B 74 -8.177 -6.076 -6.432 1.00 0.49 H new ATOM 0 HB2 SER B 74 -6.054 -5.227 -7.501 1.00 0.52 H new ATOM 0 HB3 SER B 74 -5.139 -6.357 -6.523 1.00 0.52 H new ATOM 0 HG SER B 74 -5.473 -7.636 -8.197 1.00 1.34 H new ATOM 1601 N ARG B 75 -6.299 -7.623 -4.189 1.00 0.56 N ATOM 1602 CA ARG B 75 -6.162 -8.879 -3.450 1.00 0.63 C ATOM 1603 C ARG B 75 -7.271 -9.014 -2.413 1.00 0.65 C ATOM 1604 O ARG B 75 -7.710 -10.121 -2.101 1.00 0.72 O ATOM 1605 CB ARG B 75 -4.788 -9.002 -2.778 1.00 0.74 C ATOM 1606 CG ARG B 75 -4.514 -7.929 -1.742 1.00 0.76 C ATOM 1607 CD ARG B 75 -3.172 -8.123 -1.055 1.00 1.26 C ATOM 1608 NE ARG B 75 -3.158 -9.301 -0.187 1.00 1.84 N ATOM 1609 CZ ARG B 75 -3.309 -9.249 1.141 1.00 2.74 C ATOM 1610 NH1 ARG B 75 -3.589 -8.100 1.740 1.00 3.06 N ATOM 1611 NH2 ARG B 75 -3.208 -10.356 1.868 1.00 3.67 N ATOM 0 H ARG B 75 -5.657 -6.885 -3.899 1.00 0.56 H new ATOM 0 HA ARG B 75 -6.249 -9.691 -4.172 1.00 0.63 H new ATOM 0 HB2 ARG B 75 -4.713 -9.980 -2.303 1.00 0.74 H new ATOM 0 HB3 ARG B 75 -4.014 -8.960 -3.544 1.00 0.74 H new ATOM 0 HG2 ARG B 75 -4.537 -6.950 -2.221 1.00 0.76 H new ATOM 0 HG3 ARG B 75 -5.307 -7.937 -0.995 1.00 0.76 H new ATOM 0 HD2 ARG B 75 -2.391 -8.221 -1.809 1.00 1.26 H new ATOM 0 HD3 ARG B 75 -2.937 -7.237 -0.465 1.00 1.26 H new ATOM 0 HE ARG B 75 -3.025 -10.215 -0.620 1.00 1.84 H new ATOM 0 HH11 ARG B 75 -3.691 -7.248 1.188 1.00 3.06 H new ATOM 0 HH12 ARG B 75 -3.703 -8.067 2.753 1.00 3.06 H new ATOM 0 HH21 ARG B 75 -3.015 -11.249 1.414 1.00 3.67 H new ATOM 0 HH22 ARG B 75 -3.324 -10.313 2.881 1.00 3.67 H new ATOM 1625 N VAL B 76 -7.730 -7.883 -1.888 1.00 0.62 N ATOM 1626 CA VAL B 76 -8.845 -7.868 -0.955 1.00 0.67 C ATOM 1627 C VAL B 76 -10.123 -8.308 -1.664 1.00 0.71 C ATOM 1628 O VAL B 76 -10.947 -9.021 -1.097 1.00 0.84 O ATOM 1629 CB VAL B 76 -9.040 -6.467 -0.327 1.00 0.61 C ATOM 1630 CG1 VAL B 76 -10.311 -6.402 0.499 1.00 0.64 C ATOM 1631 CG2 VAL B 76 -7.843 -6.097 0.536 1.00 0.59 C ATOM 0 H VAL B 76 -7.343 -6.962 -2.095 1.00 0.62 H new ATOM 0 HA VAL B 76 -8.619 -8.566 -0.149 1.00 0.67 H new ATOM 0 HB VAL B 76 -9.127 -5.751 -1.144 1.00 0.61 H new ATOM 0 HG11 VAL B 76 -10.417 -5.405 0.926 1.00 0.64 H new ATOM 0 HG12 VAL B 76 -11.170 -6.618 -0.137 1.00 0.64 H new ATOM 0 HG13 VAL B 76 -10.261 -7.137 1.303 1.00 0.64 H new ATOM 0 HG21 VAL B 76 -7.998 -5.109 0.969 1.00 0.59 H new ATOM 0 HG22 VAL B 76 -7.730 -6.830 1.335 1.00 0.59 H new ATOM 0 HG23 VAL B 76 -6.942 -6.087 -0.077 1.00 0.59 H new ATOM 1641 N ARG B 77 -10.255 -7.911 -2.927 1.00 0.66 N ATOM 1642 CA ARG B 77 -11.405 -8.304 -3.733 1.00 0.73 C ATOM 1643 C ARG B 77 -11.319 -9.783 -4.097 1.00 0.87 C ATOM 1644 O ARG B 77 -12.334 -10.428 -4.362 1.00 0.98 O ATOM 1645 CB ARG B 77 -11.495 -7.463 -5.008 1.00 0.75 C ATOM 1646 CG ARG B 77 -11.784 -5.993 -4.753 1.00 0.80 C ATOM 1647 CD ARG B 77 -11.866 -5.203 -6.050 1.00 0.84 C ATOM 1648 NE ARG B 77 -12.946 -5.679 -6.913 1.00 1.38 N ATOM 1649 CZ ARG B 77 -13.383 -5.031 -7.991 1.00 1.70 C ATOM 1650 NH1 ARG B 77 -12.824 -3.884 -8.353 1.00 1.45 N ATOM 1651 NH2 ARG B 77 -14.376 -5.535 -8.711 1.00 2.73 N ATOM 0 H ARG B 77 -9.581 -7.319 -3.413 1.00 0.66 H new ATOM 0 HA ARG B 77 -12.303 -8.132 -3.140 1.00 0.73 H new ATOM 0 HB2 ARG B 77 -10.557 -7.550 -5.556 1.00 0.75 H new ATOM 0 HB3 ARG B 77 -12.277 -7.872 -5.648 1.00 0.75 H new ATOM 0 HG2 ARG B 77 -12.723 -5.896 -4.208 1.00 0.80 H new ATOM 0 HG3 ARG B 77 -11.003 -5.573 -4.120 1.00 0.80 H new ATOM 0 HD2 ARG B 77 -12.021 -4.148 -5.823 1.00 0.84 H new ATOM 0 HD3 ARG B 77 -10.917 -5.278 -6.581 1.00 0.84 H new ATOM 0 HE ARG B 77 -13.393 -6.564 -6.674 1.00 1.38 H new ATOM 0 HH11 ARG B 77 -12.057 -3.495 -7.805 1.00 1.45 H new ATOM 0 HH12 ARG B 77 -13.162 -3.391 -9.179 1.00 1.45 H new ATOM 0 HH21 ARG B 77 -14.805 -6.419 -8.439 1.00 2.73 H new ATOM 0 HH22 ARG B 77 -14.710 -5.038 -9.537 1.00 2.73 H new ATOM 1665 N LYS B 78 -10.103 -10.311 -4.098 1.00 0.90 N ATOM 1666 CA LYS B 78 -9.878 -11.711 -4.389 1.00 1.08 C ATOM 1667 C LYS B 78 -10.283 -12.550 -3.179 1.00 1.12 C ATOM 1668 O LYS B 78 -10.883 -13.613 -3.316 1.00 1.32 O ATOM 1669 CB LYS B 78 -8.405 -11.924 -4.798 1.00 1.13 C ATOM 1670 CG LYS B 78 -7.842 -13.302 -4.482 1.00 1.35 C ATOM 1671 CD LYS B 78 -7.326 -13.360 -3.055 1.00 2.01 C ATOM 1672 CE LYS B 78 -5.917 -12.804 -2.933 1.00 2.67 C ATOM 1673 NZ LYS B 78 -5.390 -12.940 -1.550 1.00 3.44 N ATOM 0 H LYS B 78 -9.254 -9.782 -3.898 1.00 0.90 H new ATOM 0 HA LYS B 78 -10.493 -12.034 -5.229 1.00 1.08 H new ATOM 0 HB2 LYS B 78 -8.312 -11.747 -5.870 1.00 1.13 H new ATOM 0 HB3 LYS B 78 -7.793 -11.174 -4.297 1.00 1.13 H new ATOM 0 HG2 LYS B 78 -8.615 -14.057 -4.625 1.00 1.35 H new ATOM 0 HG3 LYS B 78 -7.035 -13.538 -5.175 1.00 1.35 H new ATOM 0 HD2 LYS B 78 -7.995 -12.796 -2.405 1.00 2.01 H new ATOM 0 HD3 LYS B 78 -7.339 -14.393 -2.707 1.00 2.01 H new ATOM 0 HE2 LYS B 78 -5.258 -13.327 -3.626 1.00 2.67 H new ATOM 0 HE3 LYS B 78 -5.914 -11.753 -3.222 1.00 2.67 H new ATOM 0 HZ1 LYS B 78 -4.427 -12.550 -1.506 1.00 3.44 H new ATOM 0 HZ2 LYS B 78 -6.005 -12.420 -0.892 1.00 3.44 H new ATOM 0 HZ3 LYS B 78 -5.369 -13.945 -1.284 1.00 3.44 H new ATOM 1687 N ASP B 79 -9.973 -12.037 -1.990 1.00 1.02 N ATOM 1688 CA ASP B 79 -10.330 -12.701 -0.737 1.00 1.20 C ATOM 1689 C ASP B 79 -11.843 -12.655 -0.497 1.00 1.42 C ATOM 1690 O ASP B 79 -12.354 -13.235 0.458 1.00 1.68 O ATOM 1691 CB ASP B 79 -9.581 -12.043 0.428 1.00 1.24 C ATOM 1692 CG ASP B 79 -9.711 -12.814 1.726 1.00 1.59 C ATOM 1693 OD1 ASP B 79 -8.965 -13.801 1.913 1.00 2.21 O ATOM 1694 OD2 ASP B 79 -10.547 -12.433 2.570 1.00 1.94 O ATOM 0 H ASP B 79 -9.472 -11.157 -1.867 1.00 1.02 H new ATOM 0 HA ASP B 79 -10.038 -13.749 -0.805 1.00 1.20 H new ATOM 0 HB2 ASP B 79 -8.526 -11.953 0.170 1.00 1.24 H new ATOM 0 HB3 ASP B 79 -9.962 -11.032 0.573 1.00 1.24 H new ATOM 1699 N MET B 80 -12.558 -11.986 -1.392 1.00 1.50 N ATOM 1700 CA MET B 80 -14.010 -11.918 -1.303 1.00 1.83 C ATOM 1701 C MET B 80 -14.610 -13.173 -1.911 1.00 2.16 C ATOM 1702 O MET B 80 -15.731 -13.566 -1.592 1.00 2.63 O ATOM 1703 CB MET B 80 -14.548 -10.683 -2.025 1.00 2.04 C ATOM 1704 CG MET B 80 -14.035 -9.377 -1.454 1.00 1.58 C ATOM 1705 SD MET B 80 -14.482 -9.150 0.278 1.00 1.43 S ATOM 1706 CE MET B 80 -13.621 -7.623 0.635 1.00 0.99 C ATOM 0 H MET B 80 -12.158 -11.485 -2.185 1.00 1.50 H new ATOM 0 HA MET B 80 -14.291 -11.845 -0.252 1.00 1.83 H new ATOM 0 HB2 MET B 80 -14.276 -10.741 -3.079 1.00 2.04 H new ATOM 0 HB3 MET B 80 -15.637 -10.689 -1.976 1.00 2.04 H new ATOM 0 HG2 MET B 80 -12.950 -9.344 -1.552 1.00 1.58 H new ATOM 0 HG3 MET B 80 -14.433 -8.548 -2.039 1.00 1.58 H new ATOM 0 HE1 MET B 80 -13.427 -7.556 1.706 1.00 0.99 H new ATOM 0 HE2 MET B 80 -12.675 -7.603 0.093 1.00 0.99 H new ATOM 0 HE3 MET B 80 -14.235 -6.778 0.324 1.00 0.99 H new ATOM 1716 N TYR B 81 -13.843 -13.801 -2.789 1.00 2.56 N ATOM 1717 CA TYR B 81 -14.262 -15.030 -3.436 1.00 3.13 C ATOM 1718 C TYR B 81 -13.208 -16.110 -3.218 1.00 3.70 C ATOM 1719 O TYR B 81 -13.178 -16.696 -2.117 1.00 4.25 O ATOM 1720 CB TYR B 81 -14.480 -14.802 -4.936 1.00 3.71 C ATOM 1721 CG TYR B 81 -15.525 -13.755 -5.254 1.00 4.11 C ATOM 1722 CD1 TYR B 81 -15.168 -12.427 -5.459 1.00 4.28 C ATOM 1723 CD2 TYR B 81 -16.868 -14.094 -5.354 1.00 4.77 C ATOM 1724 CE1 TYR B 81 -16.118 -11.470 -5.753 1.00 4.93 C ATOM 1725 CE2 TYR B 81 -17.824 -13.142 -5.647 1.00 5.51 C ATOM 1726 CZ TYR B 81 -17.444 -11.831 -5.845 1.00 5.53 C ATOM 1727 OH TYR B 81 -18.392 -10.878 -6.140 1.00 6.40 O ATOM 1728 OXT TYR B 81 -12.407 -16.361 -4.143 1.00 4.07 O ATOM 0 H TYR B 81 -12.919 -13.474 -3.070 1.00 2.56 H new ATOM 0 HA TYR B 81 -15.206 -15.354 -2.997 1.00 3.13 H new ATOM 0 HB2 TYR B 81 -13.534 -14.506 -5.389 1.00 3.71 H new ATOM 0 HB3 TYR B 81 -14.773 -15.745 -5.398 1.00 3.71 H new ATOM 0 HD1 TYR B 81 -14.129 -12.139 -5.387 1.00 4.28 H new ATOM 0 HD2 TYR B 81 -17.170 -15.120 -5.200 1.00 4.77 H new ATOM 0 HE1 TYR B 81 -15.823 -10.443 -5.910 1.00 4.93 H new ATOM 0 HE2 TYR B 81 -18.864 -13.422 -5.721 1.00 5.51 H new ATOM 0 HH TYR B 81 -19.278 -11.296 -6.169 1.00 6.40 H new TER 1738 TYR B 81