USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 864 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 101 CYS SG : rot -62:sc= 0.484 USER MOD Set 1.2: A 104 THR OG1 : rot 104:sc= 0.0488 USER MOD Set 2.1: A 70 ASN : amide:sc= -0.36 K(o=-0.42,f=1) USER MOD Set 2.2: A 99 HIS : no HE2:sc= -0.0611 K(o=-0.42,f=1) USER MOD Set 3.1: A 22 SER OG : rot -139:sc= 0.00865 USER MOD Set 3.2: A 60 ASN : amide:sc= -1.25 X(o=-1.2,f=-0.96) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 27 GLN : amide:sc= -2.26 K(o=-2.3,f=-8.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 140:sc= 0.345 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00477 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00849 USER MOD Single : A 11 ASN : amide:sc= -0.117 X(o=-0.12,f=-0.51) USER MOD Single : A 19 CYS SG : rot 6:sc= -5.87! USER MOD Single : A 21 MET CE :methyl -167:sc= -0.821 (180deg=-0.993) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.0336 K(o=-0.034,f=-1.1) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0509 X(o=-0.051,f=0) USER MOD Single : A 46 ASN : amide:sc= -0.158 K(o=-0.16,f=-3.4!) USER MOD Single : A 51 THR OG1 : rot -47:sc= 1.67 USER MOD Single : A 52 TYR OH : rot -120:sc= 0.153 USER MOD Single : A 53 CYS SG : rot -97:sc= 1.32 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.128 X(o=0.13,f=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.425) USER MOD Single : A 72 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-4.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 49:sc= 0.367 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -105:sc= 1.3 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 71:sc= 0.238 USER MOD Single : A 93 GLN : amide:sc= -0.671 K(o=-0.67,f=-3.5!) USER MOD Single : A 97 MET CE :methyl -163:sc= -0.451 (180deg=-1.33) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.0441 X(o=-0.044,f=0) USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.519 14.527 -20.420 1.00 0.00 N ATOM 2 CA GLY A 1 -13.247 14.840 -19.029 1.00 0.00 C ATOM 3 C GLY A 1 -14.274 14.242 -18.089 1.00 0.00 C ATOM 4 O GLY A 1 -15.477 14.346 -18.326 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.789 14.958 -21.022 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.511 13.495 -20.552 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.452 14.903 -20.684 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.257 14.470 -18.763 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.228 15.922 -18.900 1.00 0.00 H new ATOM 8 N SER A 2 -13.799 13.613 -17.018 1.00 0.00 N ATOM 9 CA SER A 2 -14.685 12.991 -16.041 1.00 0.00 C ATOM 10 C SER A 2 -14.802 13.853 -14.788 1.00 0.00 C ATOM 11 O SER A 2 -13.973 14.729 -14.545 1.00 0.00 O ATOM 12 CB SER A 2 -14.172 11.598 -15.670 1.00 0.00 C ATOM 13 OG SER A 2 -14.312 10.697 -16.756 1.00 0.00 O ATOM 0 H SER A 2 -12.806 13.521 -16.805 1.00 0.00 H new ATOM 0 HA SER A 2 -15.674 12.898 -16.491 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.124 11.659 -15.377 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.723 11.222 -14.808 1.00 0.00 H new ATOM 0 HG SER A 2 -13.976 9.815 -16.494 1.00 0.00 H new ATOM 19 N SER A 3 -15.838 13.596 -13.995 1.00 0.00 N ATOM 20 CA SER A 3 -16.067 14.350 -12.769 1.00 0.00 C ATOM 21 C SER A 3 -14.829 14.326 -11.877 1.00 0.00 C ATOM 22 O SER A 3 -14.499 13.302 -11.281 1.00 0.00 O ATOM 23 CB SER A 3 -17.266 13.779 -12.010 1.00 0.00 C ATOM 24 OG SER A 3 -18.486 14.230 -12.572 1.00 0.00 O ATOM 0 H SER A 3 -16.532 12.871 -14.180 1.00 0.00 H new ATOM 0 HA SER A 3 -16.277 15.384 -13.042 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.231 12.690 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.213 14.076 -10.963 1.00 0.00 H new ATOM 0 HG SER A 3 -19.237 13.850 -12.071 1.00 0.00 H new ATOM 30 N GLY A 4 -14.146 15.464 -11.792 1.00 0.00 N ATOM 31 CA GLY A 4 -12.952 15.553 -10.972 1.00 0.00 C ATOM 32 C GLY A 4 -13.208 16.246 -9.648 1.00 0.00 C ATOM 33 O GLY A 4 -13.893 17.267 -9.596 1.00 0.00 O ATOM 0 H GLY A 4 -14.398 16.325 -12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.568 14.550 -10.785 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.179 16.094 -11.518 1.00 0.00 H new ATOM 37 N SER A 5 -12.658 15.688 -8.574 1.00 0.00 N ATOM 38 CA SER A 5 -12.835 16.255 -7.243 1.00 0.00 C ATOM 39 C SER A 5 -12.807 17.780 -7.293 1.00 0.00 C ATOM 40 O SER A 5 -12.134 18.371 -8.138 1.00 0.00 O ATOM 41 CB SER A 5 -11.745 15.745 -6.298 1.00 0.00 C ATOM 42 OG SER A 5 -11.894 16.296 -5.002 1.00 0.00 O ATOM 0 H SER A 5 -12.086 14.844 -8.600 1.00 0.00 H new ATOM 0 HA SER A 5 -13.808 15.939 -6.868 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.789 14.657 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.764 16.004 -6.696 1.00 0.00 H new ATOM 0 HG SER A 5 -11.704 15.608 -4.330 1.00 0.00 H new ATOM 48 N SER A 6 -13.542 18.410 -6.383 1.00 0.00 N ATOM 49 CA SER A 6 -13.605 19.865 -6.325 1.00 0.00 C ATOM 50 C SER A 6 -12.205 20.471 -6.342 1.00 0.00 C ATOM 51 O SER A 6 -11.912 21.365 -7.135 1.00 0.00 O ATOM 52 CB SER A 6 -14.352 20.315 -5.068 1.00 0.00 C ATOM 53 OG SER A 6 -13.807 19.712 -3.907 1.00 0.00 O ATOM 0 H SER A 6 -14.103 17.935 -5.675 1.00 0.00 H new ATOM 0 HA SER A 6 -14.145 20.215 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.298 21.400 -4.978 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.407 20.055 -5.155 1.00 0.00 H new ATOM 0 HG SER A 6 -14.301 20.017 -3.117 1.00 0.00 H new ATOM 59 N GLY A 7 -11.342 19.976 -5.460 1.00 0.00 N ATOM 60 CA GLY A 7 -9.982 20.479 -5.389 1.00 0.00 C ATOM 61 C GLY A 7 -9.085 19.607 -4.534 1.00 0.00 C ATOM 62 O GLY A 7 -9.412 19.303 -3.387 1.00 0.00 O ATOM 0 H GLY A 7 -11.560 19.236 -4.793 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.569 20.543 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.993 21.491 -4.984 1.00 0.00 H new ATOM 66 N LYS A 8 -7.950 19.201 -5.093 1.00 0.00 N ATOM 67 CA LYS A 8 -7.002 18.357 -4.375 1.00 0.00 C ATOM 68 C LYS A 8 -6.318 19.138 -3.257 1.00 0.00 C ATOM 69 O LYS A 8 -6.037 20.328 -3.400 1.00 0.00 O ATOM 70 CB LYS A 8 -5.952 17.801 -5.339 1.00 0.00 C ATOM 71 CG LYS A 8 -6.366 16.500 -6.005 1.00 0.00 C ATOM 72 CD LYS A 8 -7.113 16.751 -7.303 1.00 0.00 C ATOM 73 CE LYS A 8 -7.831 15.500 -7.785 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.812 15.803 -8.863 1.00 0.00 N ATOM 0 H LYS A 8 -7.664 19.443 -6.042 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.554 17.528 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.748 18.545 -6.109 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.021 17.641 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.482 15.895 -6.204 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.997 15.927 -5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.836 17.554 -7.158 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.413 17.087 -8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.099 14.780 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.346 15.031 -6.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.280 14.924 -9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.525 16.470 -8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.317 16.227 -9.674 1.00 0.00 H new ATOM 88 N ILE A 9 -6.053 18.460 -2.145 1.00 0.00 N ATOM 89 CA ILE A 9 -5.400 19.090 -1.005 1.00 0.00 C ATOM 90 C ILE A 9 -3.929 19.364 -1.296 1.00 0.00 C ATOM 91 O ILE A 9 -3.395 20.407 -0.919 1.00 0.00 O ATOM 92 CB ILE A 9 -5.507 18.215 0.259 1.00 0.00 C ATOM 93 CG1 ILE A 9 -6.963 18.117 0.716 1.00 0.00 C ATOM 94 CG2 ILE A 9 -4.634 18.781 1.370 1.00 0.00 C ATOM 95 CD1 ILE A 9 -7.716 16.964 0.090 1.00 0.00 C ATOM 0 H ILE A 9 -6.281 17.475 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 9 -5.915 20.034 -0.829 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.153 17.212 0.020 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.989 18.011 1.801 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.475 19.049 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.720 18.152 2.256 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.595 18.804 1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.961 19.793 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.741 16.956 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.722 17.079 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.228 16.025 0.353 1.00 0.00 H new ATOM 107 N SER A 10 -3.279 18.422 -1.972 1.00 0.00 N ATOM 108 CA SER A 10 -1.868 18.561 -2.313 1.00 0.00 C ATOM 109 C SER A 10 -1.534 17.775 -3.577 1.00 0.00 C ATOM 110 O SER A 10 -2.353 17.004 -4.076 1.00 0.00 O ATOM 111 CB SER A 10 -0.991 18.082 -1.154 1.00 0.00 C ATOM 112 OG SER A 10 0.255 18.757 -1.145 1.00 0.00 O ATOM 0 H SER A 10 -3.707 17.554 -2.294 1.00 0.00 H new ATOM 0 HA SER A 10 -1.667 19.616 -2.499 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.507 18.252 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 10 -0.826 17.008 -1.239 1.00 0.00 H new ATOM 0 HG SER A 10 0.796 18.435 -0.394 1.00 0.00 H new ATOM 118 N ASN A 11 -0.325 17.976 -4.090 1.00 0.00 N ATOM 119 CA ASN A 11 0.118 17.287 -5.296 1.00 0.00 C ATOM 120 C ASN A 11 1.388 16.484 -5.029 1.00 0.00 C ATOM 121 O ASN A 11 2.254 16.367 -5.896 1.00 0.00 O ATOM 122 CB ASN A 11 0.365 18.293 -6.422 1.00 0.00 C ATOM 123 CG ASN A 11 0.937 19.602 -5.913 1.00 0.00 C ATOM 124 OD1 ASN A 11 0.219 20.426 -5.345 1.00 0.00 O ATOM 125 ND2 ASN A 11 2.234 19.799 -6.114 1.00 0.00 N ATOM 0 H ASN A 11 0.366 18.611 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 11 -0.670 16.597 -5.600 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.051 17.859 -7.150 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -0.572 18.488 -6.944 1.00 0.00 H new ATOM 0 HD21 ASN A 11 2.675 20.661 -5.793 1.00 0.00 H new ATOM 0 HD22 ASN A 11 2.790 19.088 -6.589 1.00 0.00 H new ATOM 132 N ILE A 12 1.490 15.933 -3.824 1.00 0.00 N ATOM 133 CA ILE A 12 2.652 15.140 -3.443 1.00 0.00 C ATOM 134 C ILE A 12 2.656 13.793 -4.157 1.00 0.00 C ATOM 135 O ILE A 12 3.712 13.200 -4.382 1.00 0.00 O ATOM 136 CB ILE A 12 2.698 14.902 -1.922 1.00 0.00 C ATOM 137 CG1 ILE A 12 1.480 14.091 -1.474 1.00 0.00 C ATOM 138 CG2 ILE A 12 2.759 16.229 -1.180 1.00 0.00 C ATOM 139 CD1 ILE A 12 1.481 13.766 0.003 1.00 0.00 C ATOM 0 H ILE A 12 0.782 16.021 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 12 3.533 15.709 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 12 3.597 14.333 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.574 14.648 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.443 13.162 -2.042 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.791 16.044 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.654 16.774 -1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.876 16.821 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.589 13.190 0.249 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.369 13.182 0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.486 14.691 0.579 1.00 0.00 H new ATOM 151 N PHE A 13 1.468 13.314 -4.513 1.00 0.00 N ATOM 152 CA PHE A 13 1.334 12.036 -5.203 1.00 0.00 C ATOM 153 C PHE A 13 0.973 12.246 -6.671 1.00 0.00 C ATOM 154 O PHE A 13 0.372 11.378 -7.302 1.00 0.00 O ATOM 155 CB PHE A 13 0.270 11.174 -4.522 1.00 0.00 C ATOM 156 CG PHE A 13 0.597 10.832 -3.097 1.00 0.00 C ATOM 157 CD1 PHE A 13 1.855 10.365 -2.754 1.00 0.00 C ATOM 158 CD2 PHE A 13 -0.354 10.978 -2.100 1.00 0.00 C ATOM 159 CE1 PHE A 13 2.160 10.050 -1.443 1.00 0.00 C ATOM 160 CE2 PHE A 13 -0.055 10.665 -0.787 1.00 0.00 C ATOM 161 CZ PHE A 13 1.203 10.199 -0.458 1.00 0.00 C ATOM 0 H PHE A 13 0.585 13.792 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 13 2.294 11.522 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.685 11.699 -4.551 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.144 10.252 -5.089 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.607 10.245 -3.520 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.340 11.340 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 13 3.145 9.688 -1.189 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.805 10.785 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.438 9.952 0.567 1.00 0.00 H new ATOM 171 N GLU A 14 1.343 13.405 -7.206 1.00 0.00 N ATOM 172 CA GLU A 14 1.057 13.730 -8.598 1.00 0.00 C ATOM 173 C GLU A 14 1.769 12.763 -9.540 1.00 0.00 C ATOM 174 O GLU A 14 2.979 12.561 -9.439 1.00 0.00 O ATOM 175 CB GLU A 14 1.481 15.167 -8.908 1.00 0.00 C ATOM 176 CG GLU A 14 1.427 15.512 -10.387 1.00 0.00 C ATOM 177 CD GLU A 14 2.358 16.652 -10.754 1.00 0.00 C ATOM 178 OE1 GLU A 14 1.950 17.823 -10.607 1.00 0.00 O ATOM 179 OE2 GLU A 14 3.495 16.372 -11.189 1.00 0.00 O ATOM 0 H GLU A 14 1.841 14.135 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.018 13.635 -8.752 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.836 15.854 -8.360 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.496 15.324 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.690 14.630 -10.972 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.406 15.781 -10.657 1.00 0.00 H new ATOM 186 N ASP A 15 1.010 12.169 -10.453 1.00 0.00 N ATOM 187 CA ASP A 15 1.567 11.224 -11.414 1.00 0.00 C ATOM 188 C ASP A 15 2.061 9.963 -10.711 1.00 0.00 C ATOM 189 O ASP A 15 2.974 9.290 -11.190 1.00 0.00 O ATOM 190 CB ASP A 15 2.714 11.871 -12.192 1.00 0.00 C ATOM 191 CG ASP A 15 3.052 11.114 -13.462 1.00 0.00 C ATOM 192 OD1 ASP A 15 2.116 10.761 -14.209 1.00 0.00 O ATOM 193 OD2 ASP A 15 4.252 10.876 -13.708 1.00 0.00 O ATOM 0 H ASP A 15 0.007 12.325 -10.548 1.00 0.00 H new ATOM 0 HA ASP A 15 0.777 10.945 -12.112 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.445 12.897 -12.445 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.598 11.921 -11.556 1.00 0.00 H new ATOM 198 N VAL A 16 1.452 9.649 -9.572 1.00 0.00 N ATOM 199 CA VAL A 16 1.829 8.469 -8.803 1.00 0.00 C ATOM 200 C VAL A 16 0.666 7.490 -8.693 1.00 0.00 C ATOM 201 O VAL A 16 -0.410 7.842 -8.211 1.00 0.00 O ATOM 202 CB VAL A 16 2.302 8.849 -7.388 1.00 0.00 C ATOM 203 CG1 VAL A 16 2.822 7.624 -6.651 1.00 0.00 C ATOM 204 CG2 VAL A 16 3.368 9.933 -7.455 1.00 0.00 C ATOM 0 H VAL A 16 0.695 10.196 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 16 2.651 7.993 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 16 1.450 9.243 -6.833 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.152 7.913 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.027 6.883 -6.570 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.661 7.197 -7.201 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.691 10.189 -6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 16 4.221 9.569 -8.027 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.957 10.818 -7.940 1.00 0.00 H new ATOM 214 N GLU A 17 0.891 6.260 -9.143 1.00 0.00 N ATOM 215 CA GLU A 17 -0.140 5.229 -9.094 1.00 0.00 C ATOM 216 C GLU A 17 -0.097 4.478 -7.767 1.00 0.00 C ATOM 217 O GLU A 17 0.965 4.323 -7.163 1.00 0.00 O ATOM 218 CB GLU A 17 0.034 4.247 -10.255 1.00 0.00 C ATOM 219 CG GLU A 17 -1.180 3.365 -10.493 1.00 0.00 C ATOM 220 CD GLU A 17 -1.191 2.750 -11.879 1.00 0.00 C ATOM 221 OE1 GLU A 17 -1.427 3.491 -12.856 1.00 0.00 O ATOM 222 OE2 GLU A 17 -0.963 1.527 -11.987 1.00 0.00 O ATOM 0 H GLU A 17 1.777 5.953 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.110 5.718 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.249 4.807 -11.165 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.899 3.614 -10.058 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.199 2.571 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.086 3.955 -10.354 1.00 0.00 H new ATOM 229 N PHE A 18 -1.258 4.013 -7.318 1.00 0.00 N ATOM 230 CA PHE A 18 -1.354 3.280 -6.062 1.00 0.00 C ATOM 231 C PHE A 18 -2.274 2.070 -6.207 1.00 0.00 C ATOM 232 O PHE A 18 -3.269 2.117 -6.931 1.00 0.00 O ATOM 233 CB PHE A 18 -1.869 4.196 -4.950 1.00 0.00 C ATOM 234 CG PHE A 18 -1.026 5.421 -4.744 1.00 0.00 C ATOM 235 CD1 PHE A 18 -1.293 6.587 -5.444 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.033 5.408 -3.852 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.519 7.717 -5.257 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.810 6.535 -3.660 1.00 0.00 C ATOM 239 CZ PHE A 18 0.535 7.690 -4.364 1.00 0.00 C ATOM 0 H PHE A 18 -2.146 4.131 -7.806 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.357 2.927 -5.799 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -2.889 4.502 -5.185 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -1.912 3.633 -4.017 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.115 6.613 -6.144 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.255 4.507 -3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -0.738 8.620 -5.808 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.632 6.512 -2.960 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.142 8.571 -4.217 1.00 0.00 H new ATOM 249 N CYS A 19 -1.933 0.989 -5.515 1.00 0.00 N ATOM 250 CA CYS A 19 -2.726 -0.234 -5.567 1.00 0.00 C ATOM 251 C CYS A 19 -2.986 -0.773 -4.164 1.00 0.00 C ATOM 252 O CYS A 19 -2.093 -1.333 -3.527 1.00 0.00 O ATOM 253 CB CYS A 19 -2.014 -1.293 -6.410 1.00 0.00 C ATOM 254 SG CYS A 19 -0.212 -1.266 -6.261 1.00 0.00 S ATOM 0 H CYS A 19 -1.113 0.934 -4.911 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.684 0.003 -6.029 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -2.377 -2.279 -6.119 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -2.284 -1.151 -7.456 1.00 0.00 H new ATOM 0 HG CYS A 19 0.135 -0.406 -5.350 1.00 0.00 H new ATOM 260 N VAL A 20 -4.215 -0.600 -3.688 1.00 0.00 N ATOM 261 CA VAL A 20 -4.593 -1.069 -2.360 1.00 0.00 C ATOM 262 C VAL A 20 -5.240 -2.448 -2.428 1.00 0.00 C ATOM 263 O VAL A 20 -6.133 -2.686 -3.240 1.00 0.00 O ATOM 264 CB VAL A 20 -5.565 -0.091 -1.675 1.00 0.00 C ATOM 265 CG1 VAL A 20 -5.980 -0.618 -0.310 1.00 0.00 C ATOM 266 CG2 VAL A 20 -4.936 1.289 -1.554 1.00 0.00 C ATOM 0 H VAL A 20 -4.966 -0.139 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 20 -3.677 -1.129 -1.773 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.460 -0.004 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.667 0.087 0.159 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.474 -1.583 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.097 -0.736 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.637 1.967 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.024 1.223 -0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.695 1.667 -2.547 1.00 0.00 H new ATOM 276 N MET A 21 -4.784 -3.352 -1.568 1.00 0.00 N ATOM 277 CA MET A 21 -5.320 -4.708 -1.529 1.00 0.00 C ATOM 278 C MET A 21 -6.268 -4.884 -0.347 1.00 0.00 C ATOM 279 O MET A 21 -7.346 -5.461 -0.485 1.00 0.00 O ATOM 280 CB MET A 21 -4.182 -5.727 -1.441 1.00 0.00 C ATOM 281 CG MET A 21 -3.332 -5.799 -2.700 1.00 0.00 C ATOM 282 SD MET A 21 -4.305 -6.162 -4.174 1.00 0.00 S ATOM 283 CE MET A 21 -3.430 -5.195 -5.403 1.00 0.00 C ATOM 0 H MET A 21 -4.045 -3.171 -0.889 1.00 0.00 H new ATOM 0 HA MET A 21 -5.879 -4.877 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.543 -5.474 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 21 -4.602 -6.712 -1.239 1.00 0.00 H new ATOM 0 HG2 MET A 21 -2.811 -4.851 -2.837 1.00 0.00 H new ATOM 0 HG3 MET A 21 -2.568 -6.567 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 21 -4.033 -5.126 -6.309 1.00 0.00 H new ATOM 0 HE2 MET A 21 -3.245 -4.194 -5.014 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.480 -5.676 -5.635 1.00 0.00 H new ATOM 293 N SER A 22 -5.858 -4.384 0.814 1.00 0.00 N ATOM 294 CA SER A 22 -6.669 -4.489 2.022 1.00 0.00 C ATOM 295 C SER A 22 -6.240 -3.455 3.057 1.00 0.00 C ATOM 296 O SER A 22 -5.090 -3.019 3.076 1.00 0.00 O ATOM 297 CB SER A 22 -6.560 -5.896 2.613 1.00 0.00 C ATOM 298 OG SER A 22 -7.255 -5.987 3.845 1.00 0.00 O ATOM 0 H SER A 22 -4.969 -3.902 0.944 1.00 0.00 H new ATOM 0 HA SER A 22 -7.707 -4.295 1.751 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.966 -6.622 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.511 -6.150 2.764 1.00 0.00 H new ATOM 0 HG SER A 22 -6.728 -6.516 4.480 1.00 0.00 H new ATOM 304 N GLY A 23 -7.175 -3.065 3.919 1.00 0.00 N ATOM 305 CA GLY A 23 -6.876 -2.085 4.946 1.00 0.00 C ATOM 306 C GLY A 23 -6.839 -2.692 6.334 1.00 0.00 C ATOM 307 O GLY A 23 -6.595 -3.889 6.491 1.00 0.00 O ATOM 0 H GLY A 23 -8.135 -3.411 3.924 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.914 -1.620 4.731 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.626 -1.294 4.919 1.00 0.00 H new ATOM 311 N THR A 24 -7.081 -1.865 7.346 1.00 0.00 N ATOM 312 CA THR A 24 -7.073 -2.326 8.729 1.00 0.00 C ATOM 313 C THR A 24 -8.460 -2.224 9.352 1.00 0.00 C ATOM 314 O THR A 24 -9.426 -1.857 8.682 1.00 0.00 O ATOM 315 CB THR A 24 -6.078 -1.519 9.584 1.00 0.00 C ATOM 316 OG1 THR A 24 -6.390 -0.124 9.512 1.00 0.00 O ATOM 317 CG2 THR A 24 -4.649 -1.750 9.115 1.00 0.00 C ATOM 0 H THR A 24 -7.285 -0.872 7.234 1.00 0.00 H new ATOM 0 HA THR A 24 -6.762 -3.371 8.711 1.00 0.00 H new ATOM 0 HB THR A 24 -6.163 -1.857 10.617 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.754 0.382 10.059 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.965 -1.170 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.405 -2.809 9.199 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.552 -1.437 8.075 1.00 0.00 H new ATOM 325 N ASP A 25 -8.552 -2.550 10.636 1.00 0.00 N ATOM 326 CA ASP A 25 -9.823 -2.493 11.350 1.00 0.00 C ATOM 327 C ASP A 25 -10.375 -1.071 11.364 1.00 0.00 C ATOM 328 O ASP A 25 -11.470 -0.815 10.863 1.00 0.00 O ATOM 329 CB ASP A 25 -9.650 -3.000 12.783 1.00 0.00 C ATOM 330 CG ASP A 25 -10.964 -3.421 13.410 1.00 0.00 C ATOM 331 OD1 ASP A 25 -11.497 -4.480 13.016 1.00 0.00 O ATOM 332 OD2 ASP A 25 -11.461 -2.692 14.294 1.00 0.00 O ATOM 0 H ASP A 25 -7.762 -2.856 11.204 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.534 -3.134 10.829 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.962 -3.845 12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.195 -2.217 13.390 1.00 0.00 H new ATOM 337 N SER A 26 -9.610 -0.150 11.941 1.00 0.00 N ATOM 338 CA SER A 26 -10.025 1.246 12.024 1.00 0.00 C ATOM 339 C SER A 26 -10.254 1.828 10.633 1.00 0.00 C ATOM 340 O SER A 26 -11.266 2.482 10.382 1.00 0.00 O ATOM 341 CB SER A 26 -8.971 2.069 12.767 1.00 0.00 C ATOM 342 OG SER A 26 -8.978 1.775 14.153 1.00 0.00 O ATOM 0 H SER A 26 -8.700 -0.345 12.358 1.00 0.00 H new ATOM 0 HA SER A 26 -10.964 1.289 12.575 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.984 1.861 12.353 1.00 0.00 H new ATOM 0 HB3 SER A 26 -9.162 3.131 12.617 1.00 0.00 H new ATOM 0 HG SER A 26 -8.294 2.313 14.605 1.00 0.00 H new ATOM 348 N GLN A 27 -9.306 1.586 9.733 1.00 0.00 N ATOM 349 CA GLN A 27 -9.404 2.087 8.367 1.00 0.00 C ATOM 350 C GLN A 27 -9.602 0.941 7.380 1.00 0.00 C ATOM 351 O GLN A 27 -8.803 0.007 7.308 1.00 0.00 O ATOM 352 CB GLN A 27 -8.149 2.880 8.002 1.00 0.00 C ATOM 353 CG GLN A 27 -7.948 4.126 8.849 1.00 0.00 C ATOM 354 CD GLN A 27 -7.191 3.843 10.132 1.00 0.00 C ATOM 355 OE1 GLN A 27 -7.054 2.691 10.544 1.00 0.00 O ATOM 356 NE2 GLN A 27 -6.694 4.896 10.771 1.00 0.00 N ATOM 0 H GLN A 27 -8.462 1.046 9.925 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.271 2.745 8.309 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.278 2.234 8.109 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.205 3.169 6.953 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.405 4.872 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.920 4.556 9.092 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.832 5.833 10.393 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.175 4.767 11.639 1.00 0.00 H new ATOM 365 N PRO A 28 -10.691 1.012 6.601 1.00 0.00 N ATOM 366 CA PRO A 28 -11.019 -0.011 5.604 1.00 0.00 C ATOM 367 C PRO A 28 -10.054 0.000 4.423 1.00 0.00 C ATOM 368 O PRO A 28 -9.108 0.787 4.389 1.00 0.00 O ATOM 369 CB PRO A 28 -12.427 0.378 5.147 1.00 0.00 C ATOM 370 CG PRO A 28 -12.520 1.841 5.408 1.00 0.00 C ATOM 371 CD PRO A 28 -11.687 2.097 6.633 1.00 0.00 C ATOM 0 HA PRO A 28 -10.952 -1.018 6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -12.576 0.154 4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.189 -0.172 5.700 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.149 2.413 4.558 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -13.555 2.144 5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.214 3.078 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.288 2.064 7.542 1.00 0.00 H new ATOM 379 N LYS A 29 -10.299 -0.877 3.456 1.00 0.00 N ATOM 380 CA LYS A 29 -9.453 -0.968 2.272 1.00 0.00 C ATOM 381 C LYS A 29 -9.558 0.299 1.430 1.00 0.00 C ATOM 382 O LYS A 29 -8.571 0.990 1.179 1.00 0.00 O ATOM 383 CB LYS A 29 -9.846 -2.186 1.432 1.00 0.00 C ATOM 384 CG LYS A 29 -9.627 -1.992 -0.059 1.00 0.00 C ATOM 385 CD LYS A 29 -9.727 -3.308 -0.812 1.00 0.00 C ATOM 386 CE LYS A 29 -9.474 -3.119 -2.300 1.00 0.00 C ATOM 387 NZ LYS A 29 -9.613 -4.396 -3.053 1.00 0.00 N ATOM 0 H LYS A 29 -11.078 -1.536 3.469 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.420 -1.079 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.270 -3.049 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.897 -2.416 1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.366 -1.292 -0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.646 -1.548 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.005 -4.016 -0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.716 -3.740 -0.662 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.175 -2.385 -2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.472 -2.716 -2.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.433 -4.225 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.927 -5.089 -2.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.577 -4.768 -2.931 1.00 0.00 H new ATOM 401 N PRO A 30 -10.783 0.614 0.983 1.00 0.00 N ATOM 402 CA PRO A 30 -11.046 1.801 0.164 1.00 0.00 C ATOM 403 C PRO A 30 -10.895 3.096 0.955 1.00 0.00 C ATOM 404 O PRO A 30 -11.197 4.179 0.454 1.00 0.00 O ATOM 405 CB PRO A 30 -12.499 1.612 -0.279 1.00 0.00 C ATOM 406 CG PRO A 30 -13.106 0.746 0.771 1.00 0.00 C ATOM 407 CD PRO A 30 -12.006 -0.164 1.243 1.00 0.00 C ATOM 0 HA PRO A 30 -10.342 1.889 -0.663 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.018 2.568 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.556 1.142 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.497 1.345 1.593 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -13.942 0.173 0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.111 -0.406 2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.005 -1.108 0.699 1.00 0.00 H new ATOM 415 N ASP A 31 -10.426 2.977 2.192 1.00 0.00 N ATOM 416 CA ASP A 31 -10.233 4.139 3.052 1.00 0.00 C ATOM 417 C ASP A 31 -9.161 5.063 2.484 1.00 0.00 C ATOM 418 O ASP A 31 -9.340 6.281 2.431 1.00 0.00 O ATOM 419 CB ASP A 31 -9.846 3.696 4.464 1.00 0.00 C ATOM 420 CG ASP A 31 -8.349 3.746 4.696 1.00 0.00 C ATOM 421 OD1 ASP A 31 -7.785 4.859 4.690 1.00 0.00 O ATOM 422 OD2 ASP A 31 -7.741 2.671 4.884 1.00 0.00 O ATOM 0 H ASP A 31 -10.172 2.088 2.622 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.174 4.688 3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -10.345 4.336 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -10.203 2.680 4.634 1.00 0.00 H new ATOM 427 N LEU A 32 -8.046 4.478 2.060 1.00 0.00 N ATOM 428 CA LEU A 32 -6.944 5.249 1.496 1.00 0.00 C ATOM 429 C LEU A 32 -7.244 5.656 0.057 1.00 0.00 C ATOM 430 O LEU A 32 -6.990 6.792 -0.342 1.00 0.00 O ATOM 431 CB LEU A 32 -5.648 4.438 1.549 1.00 0.00 C ATOM 432 CG LEU A 32 -5.439 3.588 2.803 1.00 0.00 C ATOM 433 CD1 LEU A 32 -4.632 2.342 2.475 1.00 0.00 C ATOM 434 CD2 LEU A 32 -4.751 4.401 3.890 1.00 0.00 C ATOM 0 H LEU A 32 -7.881 3.472 2.096 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.824 6.154 2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.618 3.781 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.808 5.127 1.457 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.415 3.276 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.493 1.750 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.164 1.749 1.731 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.659 2.633 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.610 3.780 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.781 4.744 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.368 5.262 4.146 1.00 0.00 H new ATOM 446 N GLU A 33 -7.788 4.721 -0.716 1.00 0.00 N ATOM 447 CA GLU A 33 -8.123 4.983 -2.110 1.00 0.00 C ATOM 448 C GLU A 33 -8.768 6.358 -2.265 1.00 0.00 C ATOM 449 O GLU A 33 -8.446 7.106 -3.187 1.00 0.00 O ATOM 450 CB GLU A 33 -9.066 3.902 -2.643 1.00 0.00 C ATOM 451 CG GLU A 33 -8.513 2.493 -2.512 1.00 0.00 C ATOM 452 CD GLU A 33 -9.250 1.494 -3.382 1.00 0.00 C ATOM 453 OE1 GLU A 33 -10.484 1.625 -3.523 1.00 0.00 O ATOM 454 OE2 GLU A 33 -8.592 0.580 -3.922 1.00 0.00 O ATOM 0 H GLU A 33 -8.006 3.776 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.199 4.966 -2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.014 3.962 -2.108 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.279 4.103 -3.693 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.457 2.495 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.575 2.178 -1.470 1.00 0.00 H new ATOM 461 N ASN A 34 -9.682 6.682 -1.356 1.00 0.00 N ATOM 462 CA ASN A 34 -10.374 7.965 -1.392 1.00 0.00 C ATOM 463 C ASN A 34 -9.411 9.111 -1.093 1.00 0.00 C ATOM 464 O ASN A 34 -9.311 10.067 -1.862 1.00 0.00 O ATOM 465 CB ASN A 34 -11.525 7.976 -0.383 1.00 0.00 C ATOM 466 CG ASN A 34 -12.693 7.118 -0.830 1.00 0.00 C ATOM 467 OD1 ASN A 34 -12.973 7.005 -2.024 1.00 0.00 O ATOM 468 ND2 ASN A 34 -13.380 6.509 0.129 1.00 0.00 N ATOM 0 H ASN A 34 -9.960 6.074 -0.586 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.777 8.104 -2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.163 7.619 0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.866 9.001 -0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -14.176 5.918 -0.111 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -13.111 6.632 1.105 1.00 0.00 H new ATOM 475 N ARG A 35 -8.705 9.006 0.028 1.00 0.00 N ATOM 476 CA ARG A 35 -7.751 10.033 0.428 1.00 0.00 C ATOM 477 C ARG A 35 -6.671 10.215 -0.634 1.00 0.00 C ATOM 478 O ARG A 35 -6.544 11.287 -1.226 1.00 0.00 O ATOM 479 CB ARG A 35 -7.108 9.667 1.767 1.00 0.00 C ATOM 480 CG ARG A 35 -8.090 9.641 2.927 1.00 0.00 C ATOM 481 CD ARG A 35 -7.413 10.007 4.239 1.00 0.00 C ATOM 482 NE ARG A 35 -8.318 9.876 5.377 1.00 0.00 N ATOM 483 CZ ARG A 35 -8.071 10.394 6.576 1.00 0.00 C ATOM 484 NH1 ARG A 35 -6.953 11.073 6.791 1.00 0.00 N ATOM 485 NH2 ARG A 35 -8.944 10.232 7.562 1.00 0.00 N ATOM 0 H ARG A 35 -8.776 8.221 0.675 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.291 10.973 0.537 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.637 8.688 1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.316 10.383 1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.905 10.337 2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.532 8.648 3.009 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.545 9.365 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.046 11.032 4.184 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.187 9.359 5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.280 11.199 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.766 11.469 7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.805 9.710 7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -8.754 10.630 8.482 1.00 0.00 H new ATOM 499 N ILE A 36 -5.895 9.162 -0.869 1.00 0.00 N ATOM 500 CA ILE A 36 -4.827 9.206 -1.859 1.00 0.00 C ATOM 501 C ILE A 36 -5.219 10.071 -3.052 1.00 0.00 C ATOM 502 O ILE A 36 -4.545 11.051 -3.370 1.00 0.00 O ATOM 503 CB ILE A 36 -4.465 7.796 -2.360 1.00 0.00 C ATOM 504 CG1 ILE A 36 -3.787 6.994 -1.246 1.00 0.00 C ATOM 505 CG2 ILE A 36 -3.562 7.883 -3.581 1.00 0.00 C ATOM 506 CD1 ILE A 36 -3.553 5.543 -1.603 1.00 0.00 C ATOM 0 H ILE A 36 -5.986 8.268 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.958 9.642 -1.366 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.382 7.282 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.831 7.459 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.402 7.044 -0.347 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.315 6.878 -3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.077 8.421 -4.377 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.646 8.412 -3.319 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.070 5.036 -0.768 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.508 5.062 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.913 5.484 -2.483 1.00 0.00 H new ATOM 518 N ALA A 37 -6.315 9.703 -3.709 1.00 0.00 N ATOM 519 CA ALA A 37 -6.799 10.448 -4.864 1.00 0.00 C ATOM 520 C ALA A 37 -6.826 11.946 -4.581 1.00 0.00 C ATOM 521 O ALA A 37 -6.346 12.747 -5.382 1.00 0.00 O ATOM 522 CB ALA A 37 -8.184 9.959 -5.264 1.00 0.00 C ATOM 0 H ALA A 37 -6.884 8.894 -3.461 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.111 10.275 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -8.534 10.524 -6.128 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.137 8.900 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.875 10.102 -4.433 1.00 0.00 H new ATOM 528 N GLU A 38 -7.391 12.317 -3.436 1.00 0.00 N ATOM 529 CA GLU A 38 -7.481 13.719 -3.048 1.00 0.00 C ATOM 530 C GLU A 38 -6.104 14.376 -3.059 1.00 0.00 C ATOM 531 O GLU A 38 -5.983 15.588 -3.244 1.00 0.00 O ATOM 532 CB GLU A 38 -8.110 13.848 -1.659 1.00 0.00 C ATOM 533 CG GLU A 38 -9.575 13.450 -1.614 1.00 0.00 C ATOM 534 CD GLU A 38 -10.452 14.353 -2.460 1.00 0.00 C ATOM 535 OE1 GLU A 38 -10.680 15.510 -2.052 1.00 0.00 O ATOM 536 OE2 GLU A 38 -10.908 13.901 -3.531 1.00 0.00 O ATOM 0 H GLU A 38 -7.793 11.666 -2.762 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.114 14.230 -3.773 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.552 13.227 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.012 14.879 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.679 12.422 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.923 13.476 -0.581 1.00 0.00 H new ATOM 543 N PHE A 39 -5.068 13.568 -2.859 1.00 0.00 N ATOM 544 CA PHE A 39 -3.699 14.070 -2.844 1.00 0.00 C ATOM 545 C PHE A 39 -3.083 14.011 -4.239 1.00 0.00 C ATOM 546 O PHE A 39 -1.862 14.008 -4.390 1.00 0.00 O ATOM 547 CB PHE A 39 -2.848 13.261 -1.863 1.00 0.00 C ATOM 548 CG PHE A 39 -2.930 13.758 -0.448 1.00 0.00 C ATOM 549 CD1 PHE A 39 -3.905 13.281 0.412 1.00 0.00 C ATOM 550 CD2 PHE A 39 -2.031 14.702 0.022 1.00 0.00 C ATOM 551 CE1 PHE A 39 -3.983 13.735 1.715 1.00 0.00 C ATOM 552 CE2 PHE A 39 -2.103 15.159 1.324 1.00 0.00 C ATOM 553 CZ PHE A 39 -3.082 14.676 2.171 1.00 0.00 C ATOM 0 H PHE A 39 -5.150 12.563 -2.705 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.723 15.111 -2.521 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.166 12.219 -1.893 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.808 13.287 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.613 12.545 0.060 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.266 15.085 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.748 13.354 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.395 15.893 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.142 15.034 3.188 1.00 0.00 H new ATOM 563 N GLY A 40 -3.938 13.964 -5.256 1.00 0.00 N ATOM 564 CA GLY A 40 -3.460 13.905 -6.625 1.00 0.00 C ATOM 565 C GLY A 40 -2.804 12.578 -6.953 1.00 0.00 C ATOM 566 O GLY A 40 -1.807 12.532 -7.673 1.00 0.00 O ATOM 0 H GLY A 40 -4.953 13.966 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.295 14.072 -7.306 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.746 14.711 -6.792 1.00 0.00 H new ATOM 570 N GLY A 41 -3.364 11.495 -6.422 1.00 0.00 N ATOM 571 CA GLY A 41 -2.813 10.176 -6.673 1.00 0.00 C ATOM 572 C GLY A 41 -3.761 9.290 -7.455 1.00 0.00 C ATOM 573 O GLY A 41 -4.979 9.463 -7.391 1.00 0.00 O ATOM 0 H GLY A 41 -4.189 11.508 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.877 10.275 -7.223 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.575 9.698 -5.723 1.00 0.00 H new ATOM 577 N TYR A 42 -3.204 8.340 -8.198 1.00 0.00 N ATOM 578 CA TYR A 42 -4.009 7.426 -9.000 1.00 0.00 C ATOM 579 C TYR A 42 -4.204 6.096 -8.279 1.00 0.00 C ATOM 580 O TYR A 42 -3.256 5.524 -7.740 1.00 0.00 O ATOM 581 CB TYR A 42 -3.348 7.190 -10.359 1.00 0.00 C ATOM 582 CG TYR A 42 -4.330 6.866 -11.462 1.00 0.00 C ATOM 583 CD1 TYR A 42 -4.963 7.878 -12.174 1.00 0.00 C ATOM 584 CD2 TYR A 42 -4.627 5.549 -11.791 1.00 0.00 C ATOM 585 CE1 TYR A 42 -5.861 7.587 -13.182 1.00 0.00 C ATOM 586 CE2 TYR A 42 -5.523 5.249 -12.798 1.00 0.00 C ATOM 587 CZ TYR A 42 -6.138 6.271 -13.491 1.00 0.00 C ATOM 588 OH TYR A 42 -7.032 5.977 -14.494 1.00 0.00 O ATOM 0 H TYR A 42 -2.198 8.183 -8.262 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.987 7.882 -9.153 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.782 8.079 -10.638 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -2.633 6.372 -10.269 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -4.749 8.909 -11.935 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.149 4.746 -11.250 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.344 8.385 -13.726 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.741 4.220 -13.042 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.113 5.005 -14.585 1.00 0.00 H new ATOM 598 N ILE A 43 -5.441 5.610 -8.273 1.00 0.00 N ATOM 599 CA ILE A 43 -5.761 4.347 -7.620 1.00 0.00 C ATOM 600 C ILE A 43 -6.235 3.309 -8.632 1.00 0.00 C ATOM 601 O ILE A 43 -7.202 3.533 -9.360 1.00 0.00 O ATOM 602 CB ILE A 43 -6.847 4.530 -6.543 1.00 0.00 C ATOM 603 CG1 ILE A 43 -6.382 5.531 -5.483 1.00 0.00 C ATOM 604 CG2 ILE A 43 -7.189 3.193 -5.902 1.00 0.00 C ATOM 605 CD1 ILE A 43 -5.182 5.059 -4.692 1.00 0.00 C ATOM 0 H ILE A 43 -6.237 6.072 -8.713 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.845 3.996 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.746 4.923 -7.018 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.138 6.476 -5.969 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.205 5.729 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.958 3.339 -5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.558 2.508 -6.665 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -6.297 2.773 -5.438 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.908 5.818 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.428 4.130 -4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.345 4.888 -5.368 1.00 0.00 H new ATOM 617 N VAL A 44 -5.548 2.172 -8.671 1.00 0.00 N ATOM 618 CA VAL A 44 -5.899 1.098 -9.592 1.00 0.00 C ATOM 619 C VAL A 44 -6.402 -0.129 -8.839 1.00 0.00 C ATOM 620 O VAL A 44 -6.557 -0.098 -7.618 1.00 0.00 O ATOM 621 CB VAL A 44 -4.698 0.693 -10.467 1.00 0.00 C ATOM 622 CG1 VAL A 44 -4.208 1.879 -11.283 1.00 0.00 C ATOM 623 CG2 VAL A 44 -3.578 0.129 -9.605 1.00 0.00 C ATOM 0 H VAL A 44 -4.745 1.971 -8.075 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.694 1.479 -10.233 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.020 -0.085 -11.159 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.359 1.574 -11.895 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.012 2.234 -11.928 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.901 2.681 -10.611 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.737 -0.152 -10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.255 0.884 -8.888 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.938 -0.749 -9.069 1.00 0.00 H new ATOM 633 N GLN A 45 -6.655 -1.206 -9.575 1.00 0.00 N ATOM 634 CA GLN A 45 -7.140 -2.443 -8.976 1.00 0.00 C ATOM 635 C GLN A 45 -6.027 -3.482 -8.894 1.00 0.00 C ATOM 636 O GLN A 45 -5.845 -4.131 -7.865 1.00 0.00 O ATOM 637 CB GLN A 45 -8.314 -2.999 -9.784 1.00 0.00 C ATOM 638 CG GLN A 45 -9.669 -2.490 -9.318 1.00 0.00 C ATOM 639 CD GLN A 45 -9.973 -1.094 -9.823 1.00 0.00 C ATOM 640 OE1 GLN A 45 -10.557 -0.922 -10.894 1.00 0.00 O ATOM 641 NE2 GLN A 45 -9.578 -0.086 -9.054 1.00 0.00 N ATOM 0 H GLN A 45 -6.532 -1.247 -10.587 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.477 -2.219 -7.964 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.178 -2.737 -10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.303 -4.087 -9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.447 -3.173 -9.660 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.699 -2.493 -8.228 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.097 -0.274 -8.174 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.755 0.876 -9.343 1.00 0.00 H new ATOM 650 N ASN A 46 -5.285 -3.635 -9.986 1.00 0.00 N ATOM 651 CA ASN A 46 -4.190 -4.596 -10.038 1.00 0.00 C ATOM 652 C ASN A 46 -2.872 -3.902 -10.368 1.00 0.00 C ATOM 653 O ASN A 46 -2.803 -3.020 -11.224 1.00 0.00 O ATOM 654 CB ASN A 46 -4.483 -5.679 -11.078 1.00 0.00 C ATOM 655 CG ASN A 46 -4.904 -5.099 -12.414 1.00 0.00 C ATOM 656 OD1 ASN A 46 -5.856 -4.322 -12.494 1.00 0.00 O ATOM 657 ND2 ASN A 46 -4.195 -5.475 -13.473 1.00 0.00 N ATOM 0 H ASN A 46 -5.422 -3.105 -10.847 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.100 -5.060 -9.056 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -3.595 -6.296 -11.216 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -5.271 -6.334 -10.705 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -4.432 -5.118 -14.398 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.414 -6.121 -13.360 1.00 0.00 H new ATOM 664 N PRO A 47 -1.799 -4.308 -9.673 1.00 0.00 N ATOM 665 CA PRO A 47 -0.463 -3.740 -9.876 1.00 0.00 C ATOM 666 C PRO A 47 0.137 -4.133 -11.221 1.00 0.00 C ATOM 667 O PRO A 47 0.036 -5.284 -11.644 1.00 0.00 O ATOM 668 CB PRO A 47 0.355 -4.340 -8.729 1.00 0.00 C ATOM 669 CG PRO A 47 -0.346 -5.609 -8.387 1.00 0.00 C ATOM 670 CD PRO A 47 -1.807 -5.355 -8.638 1.00 0.00 C ATOM 0 HA PRO A 47 -0.480 -2.650 -9.881 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.385 -4.526 -9.033 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.392 -3.665 -7.874 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.018 -6.433 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.171 -5.884 -7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.318 -6.255 -8.981 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.318 -5.023 -7.734 1.00 0.00 H new ATOM 678 N GLY A 48 0.763 -3.169 -11.889 1.00 0.00 N ATOM 679 CA GLY A 48 1.371 -3.435 -13.180 1.00 0.00 C ATOM 680 C GLY A 48 2.737 -2.793 -13.322 1.00 0.00 C ATOM 681 O GLY A 48 3.390 -2.449 -12.336 1.00 0.00 O ATOM 0 H GLY A 48 0.860 -2.209 -11.559 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.463 -4.512 -13.320 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.716 -3.066 -13.969 1.00 0.00 H new ATOM 685 N PRO A 49 3.188 -2.624 -14.573 1.00 0.00 N ATOM 686 CA PRO A 49 4.490 -2.019 -14.870 1.00 0.00 C ATOM 687 C PRO A 49 4.522 -0.528 -14.553 1.00 0.00 C ATOM 688 O PRO A 49 5.583 0.037 -14.284 1.00 0.00 O ATOM 689 CB PRO A 49 4.654 -2.249 -16.375 1.00 0.00 C ATOM 690 CG PRO A 49 3.262 -2.365 -16.894 1.00 0.00 C ATOM 691 CD PRO A 49 2.463 -3.010 -15.795 1.00 0.00 C ATOM 0 HA PRO A 49 5.288 -2.455 -14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.185 -1.422 -16.846 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.229 -3.153 -16.577 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.857 -1.385 -17.148 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.233 -2.967 -17.802 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.434 -2.650 -15.782 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.421 -4.093 -15.912 1.00 0.00 H new ATOM 699 N ASP A 50 3.354 0.104 -14.585 1.00 0.00 N ATOM 700 CA ASP A 50 3.249 1.530 -14.300 1.00 0.00 C ATOM 701 C ASP A 50 2.667 1.764 -12.909 1.00 0.00 C ATOM 702 O ASP A 50 1.822 2.639 -12.716 1.00 0.00 O ATOM 703 CB ASP A 50 2.379 2.220 -15.352 1.00 0.00 C ATOM 704 CG ASP A 50 2.914 2.032 -16.758 1.00 0.00 C ATOM 705 OD1 ASP A 50 3.831 2.783 -17.150 1.00 0.00 O ATOM 706 OD2 ASP A 50 2.414 1.133 -17.468 1.00 0.00 O ATOM 0 H ASP A 50 2.467 -0.349 -14.805 1.00 0.00 H new ATOM 0 HA ASP A 50 4.252 1.957 -14.332 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.365 1.825 -15.296 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.319 3.285 -15.128 1.00 0.00 H new ATOM 711 N THR A 51 3.123 0.975 -11.941 1.00 0.00 N ATOM 712 CA THR A 51 2.647 1.094 -10.569 1.00 0.00 C ATOM 713 C THR A 51 3.799 1.369 -9.609 1.00 0.00 C ATOM 714 O THR A 51 4.919 0.903 -9.819 1.00 0.00 O ATOM 715 CB THR A 51 1.911 -0.181 -10.117 1.00 0.00 C ATOM 716 OG1 THR A 51 0.880 -0.510 -11.055 1.00 0.00 O ATOM 717 CG2 THR A 51 1.305 0.005 -8.735 1.00 0.00 C ATOM 0 H THR A 51 3.822 0.246 -12.083 1.00 0.00 H new ATOM 0 HA THR A 51 1.952 1.933 -10.548 1.00 0.00 H new ATOM 0 HB THR A 51 2.635 -0.995 -10.072 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.363 0.295 -11.269 1.00 0.00 H new ATOM 0 HG21 THR A 51 0.790 -0.909 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.095 0.226 -8.018 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.594 0.831 -8.758 1.00 0.00 H new ATOM 725 N TYR A 52 3.517 2.128 -8.556 1.00 0.00 N ATOM 726 CA TYR A 52 4.531 2.466 -7.564 1.00 0.00 C ATOM 727 C TYR A 52 4.757 1.307 -6.599 1.00 0.00 C ATOM 728 O TYR A 52 5.821 0.686 -6.596 1.00 0.00 O ATOM 729 CB TYR A 52 4.116 3.717 -6.787 1.00 0.00 C ATOM 730 CG TYR A 52 5.185 4.227 -5.846 1.00 0.00 C ATOM 731 CD1 TYR A 52 6.439 4.591 -6.319 1.00 0.00 C ATOM 732 CD2 TYR A 52 4.938 4.345 -4.484 1.00 0.00 C ATOM 733 CE1 TYR A 52 7.418 5.056 -5.463 1.00 0.00 C ATOM 734 CE2 TYR A 52 5.911 4.811 -3.620 1.00 0.00 C ATOM 735 CZ TYR A 52 7.149 5.164 -4.114 1.00 0.00 C ATOM 736 OH TYR A 52 8.121 5.629 -3.258 1.00 0.00 O ATOM 0 H TYR A 52 2.595 2.521 -8.367 1.00 0.00 H new ATOM 0 HA TYR A 52 5.465 2.665 -8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.860 4.506 -7.494 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.215 3.497 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.652 4.509 -7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.970 4.068 -4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 52 8.388 5.333 -5.847 1.00 0.00 H new ATOM 0 HE2 TYR A 52 5.703 4.898 -2.564 1.00 0.00 H new ATOM 0 HH TYR A 52 8.324 4.942 -2.589 1.00 0.00 H new ATOM 746 N CYS A 53 3.750 1.019 -5.783 1.00 0.00 N ATOM 747 CA CYS A 53 3.837 -0.066 -4.813 1.00 0.00 C ATOM 748 C CYS A 53 2.450 -0.480 -4.333 1.00 0.00 C ATOM 749 O CYS A 53 1.471 0.239 -4.536 1.00 0.00 O ATOM 750 CB CYS A 53 4.697 0.356 -3.621 1.00 0.00 C ATOM 751 SG CYS A 53 3.996 1.708 -2.646 1.00 0.00 S ATOM 0 H CYS A 53 2.863 1.522 -5.774 1.00 0.00 H new ATOM 0 HA CYS A 53 4.302 -0.921 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.847 -0.506 -2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.680 0.656 -3.984 1.00 0.00 H new ATOM 0 HG CYS A 53 4.523 2.835 -3.025 1.00 0.00 H new ATOM 757 N VAL A 54 2.372 -1.645 -3.697 1.00 0.00 N ATOM 758 CA VAL A 54 1.105 -2.155 -3.188 1.00 0.00 C ATOM 759 C VAL A 54 0.935 -1.829 -1.709 1.00 0.00 C ATOM 760 O VAL A 54 1.907 -1.794 -0.955 1.00 0.00 O ATOM 761 CB VAL A 54 0.995 -3.679 -3.383 1.00 0.00 C ATOM 762 CG1 VAL A 54 -0.317 -4.197 -2.813 1.00 0.00 C ATOM 763 CG2 VAL A 54 1.126 -4.039 -4.855 1.00 0.00 C ATOM 0 H VAL A 54 3.172 -2.253 -3.522 1.00 0.00 H new ATOM 0 HA VAL A 54 0.315 -1.665 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 54 1.812 -4.157 -2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.377 -5.275 -2.960 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.364 -3.973 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.151 -3.714 -3.323 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.046 -5.120 -4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.332 -3.552 -5.421 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.094 -3.704 -5.227 1.00 0.00 H new ATOM 773 N ILE A 55 -0.307 -1.591 -1.300 1.00 0.00 N ATOM 774 CA ILE A 55 -0.605 -1.269 0.090 1.00 0.00 C ATOM 775 C ILE A 55 -1.507 -2.327 0.718 1.00 0.00 C ATOM 776 O ILE A 55 -2.670 -2.469 0.341 1.00 0.00 O ATOM 777 CB ILE A 55 -1.283 0.108 0.216 1.00 0.00 C ATOM 778 CG1 ILE A 55 -0.470 1.170 -0.527 1.00 0.00 C ATOM 779 CG2 ILE A 55 -1.446 0.486 1.681 1.00 0.00 C ATOM 780 CD1 ILE A 55 0.941 1.326 -0.004 1.00 0.00 C ATOM 0 H ILE A 55 -1.123 -1.615 -1.912 1.00 0.00 H new ATOM 0 HA ILE A 55 0.347 -1.246 0.620 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.273 0.053 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.430 0.911 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.985 2.128 -0.452 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.927 1.462 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.062 -0.260 2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.466 0.528 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.459 2.095 -0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.910 1.615 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.473 0.380 -0.104 1.00 0.00 H new ATOM 792 N ALA A 56 -0.963 -3.065 1.679 1.00 0.00 N ATOM 793 CA ALA A 56 -1.719 -4.107 2.363 1.00 0.00 C ATOM 794 C ALA A 56 -1.387 -4.139 3.851 1.00 0.00 C ATOM 795 O ALA A 56 -0.241 -4.362 4.237 1.00 0.00 O ATOM 796 CB ALA A 56 -1.443 -5.462 1.729 1.00 0.00 C ATOM 0 H ALA A 56 -0.001 -2.961 2.002 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.780 -3.879 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.014 -6.231 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.738 -5.440 0.680 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.379 -5.688 1.802 1.00 0.00 H new ATOM 802 N GLY A 57 -2.400 -3.915 4.684 1.00 0.00 N ATOM 803 CA GLY A 57 -2.195 -3.922 6.120 1.00 0.00 C ATOM 804 C GLY A 57 -2.364 -5.302 6.723 1.00 0.00 C ATOM 805 O GLY A 57 -2.510 -5.443 7.937 1.00 0.00 O ATOM 0 H GLY A 57 -3.359 -3.729 4.389 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.194 -3.552 6.343 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.901 -3.236 6.588 1.00 0.00 H new ATOM 809 N SER A 58 -2.347 -6.324 5.873 1.00 0.00 N ATOM 810 CA SER A 58 -2.505 -7.700 6.329 1.00 0.00 C ATOM 811 C SER A 58 -2.122 -8.685 5.228 1.00 0.00 C ATOM 812 O SER A 58 -1.832 -8.288 4.100 1.00 0.00 O ATOM 813 CB SER A 58 -3.948 -7.950 6.772 1.00 0.00 C ATOM 814 OG SER A 58 -4.022 -9.036 7.680 1.00 0.00 O ATOM 0 H SER A 58 -2.225 -6.225 4.865 1.00 0.00 H new ATOM 0 HA SER A 58 -1.839 -7.854 7.178 1.00 0.00 H new ATOM 0 HB2 SER A 58 -4.348 -7.051 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 58 -4.569 -8.158 5.900 1.00 0.00 H new ATOM 0 HG SER A 58 -4.954 -9.174 7.949 1.00 0.00 H new ATOM 820 N GLU A 59 -2.123 -9.970 5.566 1.00 0.00 N ATOM 821 CA GLU A 59 -1.775 -11.012 4.607 1.00 0.00 C ATOM 822 C GLU A 59 -3.024 -11.735 4.110 1.00 0.00 C ATOM 823 O GLU A 59 -3.574 -12.590 4.802 1.00 0.00 O ATOM 824 CB GLU A 59 -0.808 -12.016 5.239 1.00 0.00 C ATOM 825 CG GLU A 59 0.634 -11.539 5.264 1.00 0.00 C ATOM 826 CD GLU A 59 1.568 -12.541 5.916 1.00 0.00 C ATOM 827 OE1 GLU A 59 1.315 -12.916 7.080 1.00 0.00 O ATOM 828 OE2 GLU A 59 2.551 -12.949 5.263 1.00 0.00 O ATOM 0 H GLU A 59 -2.361 -10.315 6.496 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.289 -10.537 3.755 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.130 -12.225 6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.862 -12.955 4.689 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.967 -11.347 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.690 -10.592 5.801 1.00 0.00 H new ATOM 835 N ASN A 60 -3.465 -11.383 2.907 1.00 0.00 N ATOM 836 CA ASN A 60 -4.650 -11.996 2.318 1.00 0.00 C ATOM 837 C ASN A 60 -4.279 -12.831 1.096 1.00 0.00 C ATOM 838 O ASN A 60 -3.101 -12.982 0.768 1.00 0.00 O ATOM 839 CB ASN A 60 -5.665 -10.921 1.926 1.00 0.00 C ATOM 840 CG ASN A 60 -6.134 -10.107 3.116 1.00 0.00 C ATOM 841 OD1 ASN A 60 -6.074 -10.565 4.258 1.00 0.00 O ATOM 842 ND2 ASN A 60 -6.605 -8.893 2.855 1.00 0.00 N ATOM 0 H ASN A 60 -3.020 -10.677 2.321 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.097 -12.653 3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.218 -10.255 1.187 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.525 -11.393 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.935 -8.300 3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.636 -8.554 1.894 1.00 0.00 H new ATOM 849 N ILE A 61 -5.291 -13.370 0.425 1.00 0.00 N ATOM 850 CA ILE A 61 -5.072 -14.188 -0.761 1.00 0.00 C ATOM 851 C ILE A 61 -4.516 -13.353 -1.909 1.00 0.00 C ATOM 852 O ILE A 61 -3.548 -13.743 -2.562 1.00 0.00 O ATOM 853 CB ILE A 61 -6.373 -14.872 -1.222 1.00 0.00 C ATOM 854 CG1 ILE A 61 -6.783 -15.960 -0.226 1.00 0.00 C ATOM 855 CG2 ILE A 61 -6.198 -15.460 -2.614 1.00 0.00 C ATOM 856 CD1 ILE A 61 -5.656 -16.900 0.140 1.00 0.00 C ATOM 0 H ILE A 61 -6.271 -13.255 0.683 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.346 -14.954 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.165 -14.124 -1.262 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.160 -15.487 0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.604 -16.538 -0.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.126 -15.940 -2.926 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.947 -14.665 -3.316 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.395 -16.197 -2.599 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.019 -17.644 0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.293 -17.400 -0.758 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.842 -16.334 0.593 1.00 0.00 H new ATOM 868 N ARG A 62 -5.135 -12.201 -2.149 1.00 0.00 N ATOM 869 CA ARG A 62 -4.701 -11.310 -3.219 1.00 0.00 C ATOM 870 C ARG A 62 -3.265 -10.848 -2.993 1.00 0.00 C ATOM 871 O ARG A 62 -2.435 -10.899 -3.901 1.00 0.00 O ATOM 872 CB ARG A 62 -5.630 -10.097 -3.308 1.00 0.00 C ATOM 873 CG ARG A 62 -7.087 -10.462 -3.544 1.00 0.00 C ATOM 874 CD ARG A 62 -7.297 -11.046 -4.932 1.00 0.00 C ATOM 875 NE ARG A 62 -7.073 -12.489 -4.959 1.00 0.00 N ATOM 876 CZ ARG A 62 -7.413 -13.267 -5.980 1.00 0.00 C ATOM 877 NH1 ARG A 62 -7.990 -12.743 -7.053 1.00 0.00 N ATOM 878 NH2 ARG A 62 -7.176 -14.572 -5.930 1.00 0.00 N ATOM 0 H ARG A 62 -5.937 -11.863 -1.618 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.743 -11.862 -4.158 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -5.553 -9.522 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.291 -9.449 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.409 -11.183 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.710 -9.575 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.312 -10.831 -5.266 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.620 -10.561 -5.635 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.631 -12.923 -4.149 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.173 -11.741 -7.095 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.250 -13.342 -7.836 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.732 -14.979 -5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.438 -15.168 -6.715 1.00 0.00 H new ATOM 892 N VAL A 63 -2.978 -10.396 -1.776 1.00 0.00 N ATOM 893 CA VAL A 63 -1.642 -9.926 -1.430 1.00 0.00 C ATOM 894 C VAL A 63 -0.589 -10.984 -1.739 1.00 0.00 C ATOM 895 O VAL A 63 0.294 -10.774 -2.570 1.00 0.00 O ATOM 896 CB VAL A 63 -1.549 -9.545 0.060 1.00 0.00 C ATOM 897 CG1 VAL A 63 -0.155 -9.036 0.395 1.00 0.00 C ATOM 898 CG2 VAL A 63 -2.603 -8.505 0.410 1.00 0.00 C ATOM 0 H VAL A 63 -3.653 -10.346 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.452 -9.041 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.738 -10.437 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.108 -8.772 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.577 -9.815 0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.066 -8.156 -0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.523 -8.247 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.447 -7.611 -0.194 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.595 -8.910 0.209 1.00 0.00 H new ATOM 908 N LYS A 64 -0.689 -12.125 -1.064 1.00 0.00 N ATOM 909 CA LYS A 64 0.253 -13.219 -1.267 1.00 0.00 C ATOM 910 C LYS A 64 0.701 -13.289 -2.723 1.00 0.00 C ATOM 911 O LYS A 64 1.876 -13.094 -3.030 1.00 0.00 O ATOM 912 CB LYS A 64 -0.382 -14.549 -0.853 1.00 0.00 C ATOM 913 CG LYS A 64 -0.154 -14.904 0.606 1.00 0.00 C ATOM 914 CD LYS A 64 -0.109 -16.409 0.813 1.00 0.00 C ATOM 915 CE LYS A 64 0.791 -16.784 1.981 1.00 0.00 C ATOM 916 NZ LYS A 64 0.043 -16.819 3.268 1.00 0.00 N ATOM 0 H LYS A 64 -1.413 -12.316 -0.372 1.00 0.00 H new ATOM 0 HA LYS A 64 1.128 -13.032 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -1.454 -14.505 -1.044 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.021 -15.345 -1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.781 -14.461 0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.951 -14.476 1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.117 -16.783 0.994 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.252 -16.892 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.240 -17.760 1.795 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.608 -16.066 2.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.691 -17.078 4.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.364 -15.881 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.721 -17.522 3.207 1.00 0.00 H new ATOM 930 N ASN A 65 -0.244 -13.567 -3.616 1.00 0.00 N ATOM 931 CA ASN A 65 0.054 -13.661 -5.040 1.00 0.00 C ATOM 932 C ASN A 65 1.108 -12.635 -5.444 1.00 0.00 C ATOM 933 O ASN A 65 2.122 -12.978 -6.052 1.00 0.00 O ATOM 934 CB ASN A 65 -1.219 -13.453 -5.863 1.00 0.00 C ATOM 935 CG ASN A 65 -1.968 -14.749 -6.106 1.00 0.00 C ATOM 936 OD1 ASN A 65 -1.568 -15.564 -6.938 1.00 0.00 O ATOM 937 ND2 ASN A 65 -3.062 -14.945 -5.379 1.00 0.00 N ATOM 0 H ASN A 65 -1.222 -13.731 -3.378 1.00 0.00 H new ATOM 0 HA ASN A 65 0.448 -14.658 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.872 -12.750 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.960 -13.001 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.608 -15.798 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.356 -14.242 -4.701 1.00 0.00 H new ATOM 944 N ILE A 66 0.860 -11.375 -5.102 1.00 0.00 N ATOM 945 CA ILE A 66 1.788 -10.299 -5.428 1.00 0.00 C ATOM 946 C ILE A 66 3.148 -10.530 -4.778 1.00 0.00 C ATOM 947 O ILE A 66 4.189 -10.292 -5.391 1.00 0.00 O ATOM 948 CB ILE A 66 1.243 -8.930 -4.979 1.00 0.00 C ATOM 949 CG1 ILE A 66 0.114 -8.478 -5.907 1.00 0.00 C ATOM 950 CG2 ILE A 66 2.360 -7.898 -4.954 1.00 0.00 C ATOM 951 CD1 ILE A 66 -1.254 -8.954 -5.470 1.00 0.00 C ATOM 0 H ILE A 66 0.025 -11.074 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 66 1.901 -10.298 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 66 0.842 -9.028 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 66 0.111 -7.389 -5.959 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.313 -8.845 -6.914 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.959 -6.936 -4.635 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.135 -8.217 -4.257 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.787 -7.800 -5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.006 -8.597 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.269 -10.044 -5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.474 -8.565 -4.476 1.00 0.00 H new ATOM 963 N ILE A 67 3.131 -10.997 -3.534 1.00 0.00 N ATOM 964 CA ILE A 67 4.363 -11.263 -2.801 1.00 0.00 C ATOM 965 C ILE A 67 5.168 -12.375 -3.466 1.00 0.00 C ATOM 966 O ILE A 67 6.347 -12.202 -3.776 1.00 0.00 O ATOM 967 CB ILE A 67 4.075 -11.655 -1.340 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.392 -10.501 -0.604 1.00 0.00 C ATOM 969 CG2 ILE A 67 5.364 -12.052 -0.635 1.00 0.00 C ATOM 970 CD1 ILE A 67 2.875 -10.880 0.766 1.00 0.00 C ATOM 0 H ILE A 67 2.278 -11.199 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 67 4.944 -10.341 -2.813 1.00 0.00 H new ATOM 0 HB ILE A 67 3.402 -12.512 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.098 -9.677 -0.502 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.562 -10.136 -1.209 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.145 -12.327 0.397 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.813 -12.902 -1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.059 -11.212 -0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.403 -10.014 1.229 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.144 -11.683 0.670 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.705 -11.217 1.388 1.00 0.00 H new ATOM 982 N LEU A 68 4.523 -13.516 -3.683 1.00 0.00 N ATOM 983 CA LEU A 68 5.178 -14.657 -4.313 1.00 0.00 C ATOM 984 C LEU A 68 5.982 -14.218 -5.533 1.00 0.00 C ATOM 985 O LEU A 68 7.192 -14.429 -5.599 1.00 0.00 O ATOM 986 CB LEU A 68 4.140 -15.704 -4.721 1.00 0.00 C ATOM 987 CG LEU A 68 3.514 -16.508 -3.582 1.00 0.00 C ATOM 988 CD1 LEU A 68 2.308 -15.777 -3.012 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.119 -17.897 -4.063 1.00 0.00 C ATOM 0 H LEU A 68 3.547 -13.676 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 68 5.864 -15.097 -3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.341 -15.201 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.610 -16.401 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 68 4.255 -16.617 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.876 -16.365 -2.202 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.619 -14.805 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.564 -15.637 -3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.675 -18.455 -3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.395 -17.809 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.004 -18.423 -4.422 1.00 0.00 H new ATOM 1001 N SER A 69 5.300 -13.605 -6.495 1.00 0.00 N ATOM 1002 CA SER A 69 5.950 -13.137 -7.714 1.00 0.00 C ATOM 1003 C SER A 69 7.188 -12.308 -7.385 1.00 0.00 C ATOM 1004 O SER A 69 8.154 -12.288 -8.146 1.00 0.00 O ATOM 1005 CB SER A 69 4.975 -12.308 -8.552 1.00 0.00 C ATOM 1006 OG SER A 69 5.323 -12.345 -9.925 1.00 0.00 O ATOM 0 H SER A 69 4.298 -13.421 -6.454 1.00 0.00 H new ATOM 0 HA SER A 69 6.260 -14.010 -8.289 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.962 -12.689 -8.420 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.976 -11.276 -8.201 1.00 0.00 H new ATOM 0 HG SER A 69 4.684 -11.809 -10.439 1.00 0.00 H new ATOM 1012 N ASN A 70 7.150 -11.626 -6.245 1.00 0.00 N ATOM 1013 CA ASN A 70 8.268 -10.794 -5.815 1.00 0.00 C ATOM 1014 C ASN A 70 8.577 -9.719 -6.853 1.00 0.00 C ATOM 1015 O ASN A 70 9.723 -9.556 -7.271 1.00 0.00 O ATOM 1016 CB ASN A 70 9.508 -11.656 -5.572 1.00 0.00 C ATOM 1017 CG ASN A 70 9.550 -12.225 -4.167 1.00 0.00 C ATOM 1018 OD1 ASN A 70 9.096 -13.344 -3.925 1.00 0.00 O ATOM 1019 ND2 ASN A 70 10.097 -11.456 -3.233 1.00 0.00 N ATOM 0 H ASN A 70 6.358 -11.633 -5.603 1.00 0.00 H new ATOM 0 HA ASN A 70 7.986 -10.304 -4.883 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.526 -12.473 -6.293 1.00 0.00 H new ATOM 0 HB3 ASN A 70 10.403 -11.058 -5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.154 -11.786 -2.270 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.461 -10.535 -3.479 1.00 0.00 H new ATOM 1026 N LYS A 71 7.547 -8.987 -7.264 1.00 0.00 N ATOM 1027 CA LYS A 71 7.707 -7.926 -8.251 1.00 0.00 C ATOM 1028 C LYS A 71 7.570 -6.553 -7.601 1.00 0.00 C ATOM 1029 O LYS A 71 8.384 -5.659 -7.836 1.00 0.00 O ATOM 1030 CB LYS A 71 6.672 -8.080 -9.367 1.00 0.00 C ATOM 1031 CG LYS A 71 6.809 -9.374 -10.150 1.00 0.00 C ATOM 1032 CD LYS A 71 8.072 -9.385 -10.994 1.00 0.00 C ATOM 1033 CE LYS A 71 7.812 -8.849 -12.393 1.00 0.00 C ATOM 1034 NZ LYS A 71 8.078 -7.387 -12.486 1.00 0.00 N ATOM 0 H LYS A 71 6.592 -9.109 -6.928 1.00 0.00 H new ATOM 0 HA LYS A 71 8.707 -8.008 -8.677 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.673 -8.032 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.763 -7.238 -10.054 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.824 -10.218 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.939 -9.504 -10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.840 -8.782 -10.509 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.459 -10.402 -11.059 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.442 -9.379 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.777 -9.048 -12.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.227 -6.901 -12.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.326 -7.019 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.867 -7.219 -13.142 1.00 0.00 H new ATOM 1048 N HIS A 72 6.535 -6.392 -6.781 1.00 0.00 N ATOM 1049 CA HIS A 72 6.293 -5.128 -6.096 1.00 0.00 C ATOM 1050 C HIS A 72 6.471 -5.284 -4.589 1.00 0.00 C ATOM 1051 O HIS A 72 6.293 -6.373 -4.042 1.00 0.00 O ATOM 1052 CB HIS A 72 4.885 -4.618 -6.404 1.00 0.00 C ATOM 1053 CG HIS A 72 4.795 -3.844 -7.683 1.00 0.00 C ATOM 1054 ND1 HIS A 72 5.510 -4.176 -8.815 1.00 0.00 N ATOM 1055 CD2 HIS A 72 4.066 -2.750 -8.007 1.00 0.00 C ATOM 1056 CE1 HIS A 72 5.226 -3.318 -9.779 1.00 0.00 C ATOM 1057 NE2 HIS A 72 4.352 -2.443 -9.314 1.00 0.00 N ATOM 0 H HIS A 72 5.852 -7.121 -6.576 1.00 0.00 H new ATOM 0 HA HIS A 72 7.022 -4.402 -6.457 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.203 -5.467 -6.454 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.548 -3.986 -5.582 1.00 0.00 H new ATOM 0 HD1 HIS A 72 6.157 -4.961 -8.895 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.386 -2.218 -7.358 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.638 -3.330 -10.777 1.00 0.00 H new ATOM 1065 N ASP A 73 6.825 -4.191 -3.923 1.00 0.00 N ATOM 1066 CA ASP A 73 7.028 -4.206 -2.479 1.00 0.00 C ATOM 1067 C ASP A 73 5.706 -4.010 -1.743 1.00 0.00 C ATOM 1068 O ASP A 73 4.828 -3.281 -2.204 1.00 0.00 O ATOM 1069 CB ASP A 73 8.020 -3.117 -2.070 1.00 0.00 C ATOM 1070 CG ASP A 73 9.361 -3.266 -2.760 1.00 0.00 C ATOM 1071 OD1 ASP A 73 9.722 -4.407 -3.117 1.00 0.00 O ATOM 1072 OD2 ASP A 73 10.051 -2.241 -2.945 1.00 0.00 O ATOM 0 H ASP A 73 6.978 -3.282 -4.360 1.00 0.00 H new ATOM 0 HA ASP A 73 7.436 -5.179 -2.204 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.600 -2.140 -2.307 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.165 -3.149 -0.990 1.00 0.00 H new ATOM 1077 N VAL A 74 5.571 -4.667 -0.595 1.00 0.00 N ATOM 1078 CA VAL A 74 4.357 -4.566 0.206 1.00 0.00 C ATOM 1079 C VAL A 74 4.519 -3.540 1.322 1.00 0.00 C ATOM 1080 O VAL A 74 5.301 -3.737 2.252 1.00 0.00 O ATOM 1081 CB VAL A 74 3.976 -5.925 0.823 1.00 0.00 C ATOM 1082 CG1 VAL A 74 2.688 -5.806 1.623 1.00 0.00 C ATOM 1083 CG2 VAL A 74 3.844 -6.984 -0.261 1.00 0.00 C ATOM 0 H VAL A 74 6.288 -5.275 -0.199 1.00 0.00 H new ATOM 0 HA VAL A 74 3.561 -4.245 -0.466 1.00 0.00 H new ATOM 0 HB VAL A 74 4.771 -6.231 1.503 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.435 -6.776 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.823 -5.080 2.424 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.882 -5.477 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.574 -7.938 0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.069 -6.687 -0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.794 -7.088 -0.786 1.00 0.00 H new ATOM 1093 N VAL A 75 3.773 -2.444 1.223 1.00 0.00 N ATOM 1094 CA VAL A 75 3.833 -1.387 2.226 1.00 0.00 C ATOM 1095 C VAL A 75 2.553 -1.342 3.053 1.00 0.00 C ATOM 1096 O VAL A 75 1.481 -1.723 2.582 1.00 0.00 O ATOM 1097 CB VAL A 75 4.059 -0.009 1.576 1.00 0.00 C ATOM 1098 CG1 VAL A 75 4.336 1.044 2.638 1.00 0.00 C ATOM 1099 CG2 VAL A 75 5.198 -0.076 0.570 1.00 0.00 C ATOM 0 H VAL A 75 3.121 -2.265 0.459 1.00 0.00 H new ATOM 0 HA VAL A 75 4.676 -1.616 2.878 1.00 0.00 H new ATOM 0 HB VAL A 75 3.151 0.276 1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.493 2.011 2.160 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.485 1.109 3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.228 0.768 3.200 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.344 0.906 0.120 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.113 -0.383 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.954 -0.799 -0.208 1.00 0.00 H new ATOM 1109 N LYS A 76 2.672 -0.873 4.291 1.00 0.00 N ATOM 1110 CA LYS A 76 1.525 -0.776 5.186 1.00 0.00 C ATOM 1111 C LYS A 76 0.670 0.440 4.845 1.00 0.00 C ATOM 1112 O LYS A 76 1.167 1.472 4.394 1.00 0.00 O ATOM 1113 CB LYS A 76 1.992 -0.692 6.641 1.00 0.00 C ATOM 1114 CG LYS A 76 2.154 -2.047 7.307 1.00 0.00 C ATOM 1115 CD LYS A 76 2.373 -1.909 8.805 1.00 0.00 C ATOM 1116 CE LYS A 76 2.584 -3.263 9.464 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.236 -3.236 10.912 1.00 0.00 N ATOM 0 H LYS A 76 3.552 -0.554 4.697 1.00 0.00 H new ATOM 0 HA LYS A 76 0.919 -1.673 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.944 -0.162 6.678 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.275 -0.100 7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.267 -2.653 7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.998 -2.574 6.862 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.239 -1.274 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.513 -1.414 9.256 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.975 -4.012 8.958 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.624 -3.566 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.394 -4.178 11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.835 -2.540 11.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.236 -2.972 11.024 1.00 0.00 H new ATOM 1131 N PRO A 77 -0.648 0.319 5.065 1.00 0.00 N ATOM 1132 CA PRO A 77 -1.599 1.400 4.789 1.00 0.00 C ATOM 1133 C PRO A 77 -1.445 2.568 5.756 1.00 0.00 C ATOM 1134 O PRO A 77 -2.089 3.605 5.600 1.00 0.00 O ATOM 1135 CB PRO A 77 -2.962 0.728 4.974 1.00 0.00 C ATOM 1136 CG PRO A 77 -2.703 -0.405 5.906 1.00 0.00 C ATOM 1137 CD PRO A 77 -1.310 -0.882 5.600 1.00 0.00 C ATOM 0 HA PRO A 77 -1.451 1.830 3.799 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.693 1.422 5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.362 0.375 4.023 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.786 -0.083 6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -3.430 -1.204 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.807 -1.254 6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.314 -1.695 4.874 1.00 0.00 H new ATOM 1145 N ALA A 78 -0.588 2.394 6.757 1.00 0.00 N ATOM 1146 CA ALA A 78 -0.348 3.435 7.748 1.00 0.00 C ATOM 1147 C ALA A 78 0.522 4.549 7.175 1.00 0.00 C ATOM 1148 O ALA A 78 0.145 5.720 7.203 1.00 0.00 O ATOM 1149 CB ALA A 78 0.301 2.842 8.990 1.00 0.00 C ATOM 0 H ALA A 78 -0.048 1.541 6.903 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.310 3.867 8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.475 3.631 9.722 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.358 2.087 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.252 2.382 8.720 1.00 0.00 H new ATOM 1155 N TRP A 79 1.687 4.176 6.657 1.00 0.00 N ATOM 1156 CA TRP A 79 2.611 5.144 6.078 1.00 0.00 C ATOM 1157 C TRP A 79 1.858 6.213 5.293 1.00 0.00 C ATOM 1158 O TRP A 79 2.213 7.392 5.332 1.00 0.00 O ATOM 1159 CB TRP A 79 3.617 4.439 5.168 1.00 0.00 C ATOM 1160 CG TRP A 79 4.319 5.369 4.225 1.00 0.00 C ATOM 1161 CD1 TRP A 79 5.192 6.366 4.555 1.00 0.00 C ATOM 1162 CD2 TRP A 79 4.204 5.390 2.798 1.00 0.00 C ATOM 1163 NE1 TRP A 79 5.627 7.005 3.419 1.00 0.00 N ATOM 1164 CE2 TRP A 79 5.037 6.424 2.328 1.00 0.00 C ATOM 1165 CE3 TRP A 79 3.482 4.634 1.871 1.00 0.00 C ATOM 1166 CZ2 TRP A 79 5.164 6.720 0.974 1.00 0.00 C ATOM 1167 CZ3 TRP A 79 3.608 4.929 0.527 1.00 0.00 C ATOM 1168 CH2 TRP A 79 4.444 5.964 0.088 1.00 0.00 C ATOM 0 H TRP A 79 2.014 3.210 6.626 1.00 0.00 H new ATOM 0 HA TRP A 79 3.148 5.629 6.893 1.00 0.00 H new ATOM 0 HB2 TRP A 79 4.358 3.930 5.784 1.00 0.00 H new ATOM 0 HB3 TRP A 79 3.100 3.672 4.592 1.00 0.00 H new ATOM 0 HD1 TRP A 79 5.496 6.616 5.561 1.00 0.00 H new ATOM 0 HE1 TRP A 79 6.283 7.786 3.392 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.836 3.833 2.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 5.808 7.518 0.634 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 3.053 4.352 -0.197 1.00 0.00 H new ATOM 0 HH2 TRP A 79 4.522 6.169 -0.969 1.00 0.00 H new ATOM 1179 N LEU A 80 0.817 5.795 4.582 1.00 0.00 N ATOM 1180 CA LEU A 80 0.013 6.717 3.787 1.00 0.00 C ATOM 1181 C LEU A 80 -0.569 7.824 4.661 1.00 0.00 C ATOM 1182 O LEU A 80 -0.555 8.997 4.286 1.00 0.00 O ATOM 1183 CB LEU A 80 -1.115 5.963 3.081 1.00 0.00 C ATOM 1184 CG LEU A 80 -0.722 5.197 1.817 1.00 0.00 C ATOM 1185 CD1 LEU A 80 -1.850 4.277 1.378 1.00 0.00 C ATOM 1186 CD2 LEU A 80 -0.353 6.163 0.700 1.00 0.00 C ATOM 0 H LEU A 80 0.510 4.823 4.540 1.00 0.00 H new ATOM 0 HA LEU A 80 0.661 7.173 3.038 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.552 5.258 3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.896 6.678 2.821 1.00 0.00 H new ATOM 0 HG LEU A 80 0.151 4.585 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.552 3.740 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.066 3.562 2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.742 4.868 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.076 5.600 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.207 6.802 0.475 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.489 6.780 1.016 1.00 0.00 H new ATOM 1198 N LEU A 81 -1.078 7.443 5.827 1.00 0.00 N ATOM 1199 CA LEU A 81 -1.663 8.404 6.756 1.00 0.00 C ATOM 1200 C LEU A 81 -0.666 9.507 7.099 1.00 0.00 C ATOM 1201 O LEU A 81 -1.010 10.688 7.098 1.00 0.00 O ATOM 1202 CB LEU A 81 -2.116 7.696 8.034 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.306 6.746 7.889 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -3.507 5.944 9.165 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -4.568 7.521 7.540 1.00 0.00 C ATOM 0 H LEU A 81 -1.098 6.476 6.152 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.528 8.859 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.272 7.132 8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.370 8.454 8.775 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.094 6.051 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.358 5.274 9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.611 5.359 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.697 6.624 9.996 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.404 6.829 7.441 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.784 8.240 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.421 8.050 6.598 1.00 0.00 H new ATOM 1217 N GLU A 82 0.570 9.112 7.388 1.00 0.00 N ATOM 1218 CA GLU A 82 1.616 10.068 7.730 1.00 0.00 C ATOM 1219 C GLU A 82 1.669 11.204 6.713 1.00 0.00 C ATOM 1220 O GLU A 82 2.122 12.307 7.022 1.00 0.00 O ATOM 1221 CB GLU A 82 2.975 9.367 7.800 1.00 0.00 C ATOM 1222 CG GLU A 82 3.199 8.601 9.092 1.00 0.00 C ATOM 1223 CD GLU A 82 3.697 9.488 10.217 1.00 0.00 C ATOM 1224 OE1 GLU A 82 4.872 9.906 10.168 1.00 0.00 O ATOM 1225 OE2 GLU A 82 2.909 9.764 11.147 1.00 0.00 O ATOM 0 H GLU A 82 0.871 8.137 7.392 1.00 0.00 H new ATOM 0 HA GLU A 82 1.382 10.490 8.707 1.00 0.00 H new ATOM 0 HB2 GLU A 82 3.063 8.679 6.960 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.764 10.110 7.687 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.266 8.126 9.395 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.921 7.803 8.917 1.00 0.00 H new ATOM 1232 N CYS A 83 1.203 10.927 5.501 1.00 0.00 N ATOM 1233 CA CYS A 83 1.198 11.925 4.437 1.00 0.00 C ATOM 1234 C CYS A 83 -0.099 12.726 4.450 1.00 0.00 C ATOM 1235 O CYS A 83 -0.142 13.867 3.987 1.00 0.00 O ATOM 1236 CB CYS A 83 1.382 11.251 3.076 1.00 0.00 C ATOM 1237 SG CYS A 83 2.471 9.808 3.108 1.00 0.00 S ATOM 0 H CYS A 83 0.824 10.020 5.230 1.00 0.00 H new ATOM 0 HA CYS A 83 2.028 12.609 4.610 1.00 0.00 H new ATOM 0 HB2 CYS A 83 0.406 10.948 2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.784 11.980 2.373 1.00 0.00 H new ATOM 0 HG CYS A 83 2.119 9.020 4.081 1.00 0.00 H new ATOM 1243 N PHE A 84 -1.157 12.122 4.981 1.00 0.00 N ATOM 1244 CA PHE A 84 -2.457 12.779 5.052 1.00 0.00 C ATOM 1245 C PHE A 84 -2.519 13.735 6.239 1.00 0.00 C ATOM 1246 O PHE A 84 -3.267 14.713 6.225 1.00 0.00 O ATOM 1247 CB PHE A 84 -3.573 11.737 5.163 1.00 0.00 C ATOM 1248 CG PHE A 84 -3.531 10.697 4.081 1.00 0.00 C ATOM 1249 CD1 PHE A 84 -2.986 10.989 2.841 1.00 0.00 C ATOM 1250 CD2 PHE A 84 -4.035 9.425 4.304 1.00 0.00 C ATOM 1251 CE1 PHE A 84 -2.947 10.033 1.843 1.00 0.00 C ATOM 1252 CE2 PHE A 84 -3.998 8.465 3.310 1.00 0.00 C ATOM 1253 CZ PHE A 84 -3.452 8.770 2.079 1.00 0.00 C ATOM 0 H PHE A 84 -1.140 11.179 5.368 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.596 13.355 4.137 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -3.504 11.244 6.133 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.537 12.244 5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.587 11.975 2.652 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.462 9.181 5.266 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -2.522 10.274 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -4.395 7.478 3.496 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.420 8.021 1.301 1.00 0.00 H new ATOM 1263 N LYS A 85 -1.728 13.446 7.267 1.00 0.00 N ATOM 1264 CA LYS A 85 -1.691 14.279 8.463 1.00 0.00 C ATOM 1265 C LYS A 85 -0.599 15.338 8.354 1.00 0.00 C ATOM 1266 O LYS A 85 -0.686 16.401 8.972 1.00 0.00 O ATOM 1267 CB LYS A 85 -1.456 13.415 9.704 1.00 0.00 C ATOM 1268 CG LYS A 85 -1.251 14.220 10.976 1.00 0.00 C ATOM 1269 CD LYS A 85 -1.691 13.442 12.205 1.00 0.00 C ATOM 1270 CE LYS A 85 -1.883 14.358 13.404 1.00 0.00 C ATOM 1271 NZ LYS A 85 -2.722 13.723 14.458 1.00 0.00 N ATOM 0 H LYS A 85 -1.103 12.640 7.296 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.653 14.782 8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -2.308 12.749 9.839 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.582 12.785 9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -0.199 14.489 11.072 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -1.814 15.151 10.913 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -2.623 12.919 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.947 12.682 12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -0.910 14.618 13.822 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.350 15.288 13.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.829 14.379 15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.659 13.498 14.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -2.264 12.849 14.786 1.00 0.00 H new ATOM 1285 N THR A 86 0.429 15.044 7.565 1.00 0.00 N ATOM 1286 CA THR A 86 1.537 15.971 7.375 1.00 0.00 C ATOM 1287 C THR A 86 1.465 16.642 6.009 1.00 0.00 C ATOM 1288 O THR A 86 2.104 17.668 5.775 1.00 0.00 O ATOM 1289 CB THR A 86 2.896 15.257 7.512 1.00 0.00 C ATOM 1290 OG1 THR A 86 3.184 14.519 6.320 1.00 0.00 O ATOM 1291 CG2 THR A 86 2.895 14.318 8.709 1.00 0.00 C ATOM 0 H THR A 86 0.517 14.170 7.047 1.00 0.00 H new ATOM 0 HA THR A 86 1.452 16.729 8.154 1.00 0.00 H new ATOM 0 HB THR A 86 3.666 16.014 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.045 13.563 6.485 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.864 13.825 8.786 1.00 0.00 H new ATOM 0 HG22 THR A 86 2.705 14.888 9.618 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.115 13.567 8.582 1.00 0.00 H new ATOM 1299 N LYS A 87 0.681 16.058 5.108 1.00 0.00 N ATOM 1300 CA LYS A 87 0.523 16.601 3.764 1.00 0.00 C ATOM 1301 C LYS A 87 1.872 16.725 3.065 1.00 0.00 C ATOM 1302 O LYS A 87 2.141 17.716 2.385 1.00 0.00 O ATOM 1303 CB LYS A 87 -0.161 17.969 3.822 1.00 0.00 C ATOM 1304 CG LYS A 87 -1.657 17.891 4.072 1.00 0.00 C ATOM 1305 CD LYS A 87 -1.975 17.885 5.558 1.00 0.00 C ATOM 1306 CE LYS A 87 -3.472 17.974 5.809 1.00 0.00 C ATOM 1307 NZ LYS A 87 -3.777 18.387 7.207 1.00 0.00 N ATOM 0 H LYS A 87 0.145 15.208 5.285 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.100 15.913 3.192 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.300 18.563 4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.015 18.494 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.151 18.739 3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.057 16.989 3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.583 16.975 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.474 18.723 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.915 18.688 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.932 17.007 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.808 18.436 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.377 17.692 7.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.360 19.322 7.392 1.00 0.00 H new ATOM 1321 N SER A 88 2.717 15.712 3.234 1.00 0.00 N ATOM 1322 CA SER A 88 4.039 15.709 2.621 1.00 0.00 C ATOM 1323 C SER A 88 4.460 14.292 2.244 1.00 0.00 C ATOM 1324 O SER A 88 3.884 13.314 2.720 1.00 0.00 O ATOM 1325 CB SER A 88 5.068 16.323 3.573 1.00 0.00 C ATOM 1326 OG SER A 88 4.645 17.596 4.028 1.00 0.00 O ATOM 0 H SER A 88 2.509 14.883 3.791 1.00 0.00 H new ATOM 0 HA SER A 88 3.992 16.309 1.712 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.220 15.661 4.425 1.00 0.00 H new ATOM 0 HB3 SER A 88 6.028 16.415 3.065 1.00 0.00 H new ATOM 0 HG SER A 88 3.891 17.489 4.645 1.00 0.00 H new ATOM 1332 N PHE A 89 5.469 14.190 1.385 1.00 0.00 N ATOM 1333 CA PHE A 89 5.968 12.893 0.942 1.00 0.00 C ATOM 1334 C PHE A 89 6.887 12.277 1.992 1.00 0.00 C ATOM 1335 O PHE A 89 8.075 12.593 2.056 1.00 0.00 O ATOM 1336 CB PHE A 89 6.715 13.036 -0.385 1.00 0.00 C ATOM 1337 CG PHE A 89 6.639 11.811 -1.251 1.00 0.00 C ATOM 1338 CD1 PHE A 89 7.444 10.713 -0.992 1.00 0.00 C ATOM 1339 CD2 PHE A 89 5.764 11.757 -2.323 1.00 0.00 C ATOM 1340 CE1 PHE A 89 7.377 9.584 -1.786 1.00 0.00 C ATOM 1341 CE2 PHE A 89 5.692 10.630 -3.121 1.00 0.00 C ATOM 1342 CZ PHE A 89 6.501 9.543 -2.852 1.00 0.00 C ATOM 0 H PHE A 89 5.957 14.990 0.982 1.00 0.00 H new ATOM 0 HA PHE A 89 5.113 12.232 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.306 13.885 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.761 13.263 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.132 10.740 -0.160 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.131 12.605 -2.538 1.00 0.00 H new ATOM 0 HE1 PHE A 89 8.009 8.735 -1.573 1.00 0.00 H new ATOM 0 HE2 PHE A 89 5.004 10.600 -3.953 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.448 8.662 -3.475 1.00 0.00 H new ATOM 1352 N VAL A 90 6.329 11.394 2.815 1.00 0.00 N ATOM 1353 CA VAL A 90 7.097 10.732 3.862 1.00 0.00 C ATOM 1354 C VAL A 90 7.957 9.612 3.288 1.00 0.00 C ATOM 1355 O VAL A 90 7.509 8.811 2.467 1.00 0.00 O ATOM 1356 CB VAL A 90 6.177 10.152 4.952 1.00 0.00 C ATOM 1357 CG1 VAL A 90 6.992 9.695 6.152 1.00 0.00 C ATOM 1358 CG2 VAL A 90 5.131 11.176 5.366 1.00 0.00 C ATOM 0 H VAL A 90 5.347 11.121 2.776 1.00 0.00 H new ATOM 0 HA VAL A 90 7.742 11.489 4.308 1.00 0.00 H new ATOM 0 HB VAL A 90 5.661 9.284 4.543 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.324 9.288 6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.699 8.926 5.840 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.538 10.543 6.565 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.489 10.749 6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.627 12.065 5.757 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.527 11.449 4.501 1.00 0.00 H new ATOM 1368 N PRO A 91 9.222 9.551 3.730 1.00 0.00 N ATOM 1369 CA PRO A 91 10.171 8.531 3.274 1.00 0.00 C ATOM 1370 C PRO A 91 9.820 7.140 3.791 1.00 0.00 C ATOM 1371 O PRO A 91 9.170 6.998 4.826 1.00 0.00 O ATOM 1372 CB PRO A 91 11.505 8.999 3.862 1.00 0.00 C ATOM 1373 CG PRO A 91 11.129 9.811 5.054 1.00 0.00 C ATOM 1374 CD PRO A 91 9.823 10.472 4.709 1.00 0.00 C ATOM 0 HA PRO A 91 10.178 8.437 2.188 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.133 8.153 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.069 9.591 3.142 1.00 0.00 H new ATOM 0 HG2 PRO A 91 11.026 9.182 5.938 1.00 0.00 H new ATOM 0 HG3 PRO A 91 11.895 10.553 5.278 1.00 0.00 H new ATOM 0 HD2 PRO A 91 9.190 10.593 5.588 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.975 11.465 4.286 1.00 0.00 H new ATOM 1382 N TRP A 92 10.256 6.117 3.064 1.00 0.00 N ATOM 1383 CA TRP A 92 9.987 4.736 3.451 1.00 0.00 C ATOM 1384 C TRP A 92 10.744 4.370 4.723 1.00 0.00 C ATOM 1385 O TRP A 92 11.920 4.700 4.872 1.00 0.00 O ATOM 1386 CB TRP A 92 10.376 3.784 2.319 1.00 0.00 C ATOM 1387 CG TRP A 92 9.347 3.701 1.233 1.00 0.00 C ATOM 1388 CD1 TRP A 92 8.167 4.386 1.167 1.00 0.00 C ATOM 1389 CD2 TRP A 92 9.405 2.885 0.058 1.00 0.00 C ATOM 1390 NE1 TRP A 92 7.489 4.045 0.022 1.00 0.00 N ATOM 1391 CE2 TRP A 92 8.228 3.126 -0.676 1.00 0.00 C ATOM 1392 CE3 TRP A 92 10.339 1.975 -0.447 1.00 0.00 C ATOM 1393 CZ2 TRP A 92 7.961 2.490 -1.885 1.00 0.00 C ATOM 1394 CZ3 TRP A 92 10.072 1.344 -1.647 1.00 0.00 C ATOM 1395 CH2 TRP A 92 8.892 1.604 -2.356 1.00 0.00 C ATOM 0 H TRP A 92 10.796 6.217 2.205 1.00 0.00 H new ATOM 0 HA TRP A 92 8.919 4.640 3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 92 11.323 4.110 1.889 1.00 0.00 H new ATOM 0 HB3 TRP A 92 10.540 2.788 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 92 7.818 5.092 1.906 1.00 0.00 H new ATOM 0 HE1 TRP A 92 6.582 4.416 -0.263 1.00 0.00 H new ATOM 0 HE3 TRP A 92 11.252 1.769 0.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 7.051 2.689 -2.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 10.786 0.638 -2.045 1.00 0.00 H new ATOM 0 HH2 TRP A 92 8.714 1.096 -3.292 1.00 0.00 H new ATOM 1406 N GLN A 93 10.062 3.687 5.636 1.00 0.00 N ATOM 1407 CA GLN A 93 10.671 3.277 6.896 1.00 0.00 C ATOM 1408 C GLN A 93 10.697 1.757 7.019 1.00 0.00 C ATOM 1409 O GLN A 93 9.888 1.047 6.421 1.00 0.00 O ATOM 1410 CB GLN A 93 9.910 3.883 8.076 1.00 0.00 C ATOM 1411 CG GLN A 93 10.045 5.394 8.176 1.00 0.00 C ATOM 1412 CD GLN A 93 11.491 5.849 8.219 1.00 0.00 C ATOM 1413 OE1 GLN A 93 12.338 5.205 8.838 1.00 0.00 O ATOM 1414 NE2 GLN A 93 11.780 6.964 7.559 1.00 0.00 N ATOM 0 H GLN A 93 9.088 3.406 5.527 1.00 0.00 H new ATOM 0 HA GLN A 93 11.698 3.642 6.909 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.854 3.626 7.987 1.00 0.00 H new ATOM 0 HB3 GLN A 93 10.271 3.432 9.000 1.00 0.00 H new ATOM 0 HG2 GLN A 93 9.548 5.857 7.324 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.532 5.742 9.072 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.046 7.466 7.059 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.736 7.319 7.552 1.00 0.00 H new ATOM 1423 N PRO A 94 11.649 1.243 7.811 1.00 0.00 N ATOM 1424 CA PRO A 94 11.804 -0.198 8.031 1.00 0.00 C ATOM 1425 C PRO A 94 10.663 -0.784 8.856 1.00 0.00 C ATOM 1426 O PRO A 94 10.552 -2.001 9.003 1.00 0.00 O ATOM 1427 CB PRO A 94 13.125 -0.300 8.797 1.00 0.00 C ATOM 1428 CG PRO A 94 13.273 1.018 9.475 1.00 0.00 C ATOM 1429 CD PRO A 94 12.648 2.029 8.555 1.00 0.00 C ATOM 0 HA PRO A 94 11.794 -0.757 7.095 1.00 0.00 H new ATOM 0 HB2 PRO A 94 13.102 -1.116 9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 94 13.959 -0.494 8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 94 12.778 1.015 10.446 1.00 0.00 H new ATOM 0 HG3 PRO A 94 14.323 1.249 9.653 1.00 0.00 H new ATOM 0 HD2 PRO A 94 12.185 2.845 9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 94 13.386 2.475 7.888 1.00 0.00 H new ATOM 1437 N ARG A 95 9.817 0.090 9.392 1.00 0.00 N ATOM 1438 CA ARG A 95 8.685 -0.342 10.203 1.00 0.00 C ATOM 1439 C ARG A 95 7.401 -0.356 9.380 1.00 0.00 C ATOM 1440 O ARG A 95 6.481 -1.126 9.658 1.00 0.00 O ATOM 1441 CB ARG A 95 8.517 0.579 11.414 1.00 0.00 C ATOM 1442 CG ARG A 95 8.241 2.027 11.044 1.00 0.00 C ATOM 1443 CD ARG A 95 6.750 2.290 10.898 1.00 0.00 C ATOM 1444 NE ARG A 95 6.401 3.665 11.243 1.00 0.00 N ATOM 1445 CZ ARG A 95 6.160 4.072 12.484 1.00 0.00 C ATOM 1446 NH1 ARG A 95 6.231 3.215 13.493 1.00 0.00 N ATOM 1447 NH2 ARG A 95 5.848 5.341 12.718 1.00 0.00 N ATOM 0 H ARG A 95 9.894 1.101 9.279 1.00 0.00 H new ATOM 0 HA ARG A 95 8.885 -1.356 10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.699 0.208 12.031 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.420 0.534 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 95 8.654 2.684 11.809 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.747 2.268 10.109 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.444 2.085 9.872 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.196 1.604 11.539 1.00 0.00 H new ATOM 0 HE ARG A 95 6.339 4.350 10.490 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.471 2.239 13.318 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.045 3.531 14.445 1.00 0.00 H new ATOM 0 HH21 ARG A 95 5.793 6.004 11.945 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.663 5.653 13.671 1.00 0.00 H new ATOM 1461 N PHE A 96 7.344 0.500 8.366 1.00 0.00 N ATOM 1462 CA PHE A 96 6.172 0.587 7.502 1.00 0.00 C ATOM 1463 C PHE A 96 6.133 -0.579 6.519 1.00 0.00 C ATOM 1464 O PHE A 96 5.117 -1.261 6.389 1.00 0.00 O ATOM 1465 CB PHE A 96 6.172 1.913 6.739 1.00 0.00 C ATOM 1466 CG PHE A 96 5.714 3.081 7.564 1.00 0.00 C ATOM 1467 CD1 PHE A 96 4.577 2.986 8.351 1.00 0.00 C ATOM 1468 CD2 PHE A 96 6.419 4.274 7.554 1.00 0.00 C ATOM 1469 CE1 PHE A 96 4.152 4.059 9.112 1.00 0.00 C ATOM 1470 CE2 PHE A 96 5.999 5.349 8.313 1.00 0.00 C ATOM 1471 CZ PHE A 96 4.863 5.242 9.092 1.00 0.00 C ATOM 0 H PHE A 96 8.096 1.144 8.122 1.00 0.00 H new ATOM 0 HA PHE A 96 5.283 0.538 8.131 1.00 0.00 H new ATOM 0 HB2 PHE A 96 7.179 2.111 6.371 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.526 1.820 5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.017 2.063 8.370 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.307 4.364 6.946 1.00 0.00 H new ATOM 0 HE1 PHE A 96 3.265 3.972 9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.558 6.273 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.532 6.082 9.684 1.00 0.00 H new ATOM 1481 N MET A 97 7.247 -0.801 5.830 1.00 0.00 N ATOM 1482 CA MET A 97 7.340 -1.885 4.859 1.00 0.00 C ATOM 1483 C MET A 97 7.026 -3.228 5.511 1.00 0.00 C ATOM 1484 O MET A 97 7.349 -3.453 6.677 1.00 0.00 O ATOM 1485 CB MET A 97 8.738 -1.923 4.237 1.00 0.00 C ATOM 1486 CG MET A 97 9.184 -0.587 3.664 1.00 0.00 C ATOM 1487 SD MET A 97 8.290 -0.142 2.163 1.00 0.00 S ATOM 1488 CE MET A 97 8.950 -1.340 1.007 1.00 0.00 C ATOM 0 H MET A 97 8.097 -0.246 5.926 1.00 0.00 H new ATOM 0 HA MET A 97 6.605 -1.700 4.075 1.00 0.00 H new ATOM 0 HB2 MET A 97 9.455 -2.242 4.993 1.00 0.00 H new ATOM 0 HB3 MET A 97 8.755 -2.672 3.446 1.00 0.00 H new ATOM 0 HG2 MET A 97 9.039 0.192 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 97 10.252 -0.627 3.448 1.00 0.00 H new ATOM 0 HE1 MET A 97 8.737 -1.018 -0.012 1.00 0.00 H new ATOM 0 HE2 MET A 97 10.028 -1.422 1.144 1.00 0.00 H new ATOM 0 HE3 MET A 97 8.487 -2.311 1.185 1.00 0.00 H new ATOM 1498 N ILE A 98 6.393 -4.116 4.751 1.00 0.00 N ATOM 1499 CA ILE A 98 6.036 -5.436 5.256 1.00 0.00 C ATOM 1500 C ILE A 98 6.845 -6.527 4.562 1.00 0.00 C ATOM 1501 O ILE A 98 7.164 -7.555 5.161 1.00 0.00 O ATOM 1502 CB ILE A 98 4.536 -5.725 5.064 1.00 0.00 C ATOM 1503 CG1 ILE A 98 3.695 -4.691 5.817 1.00 0.00 C ATOM 1504 CG2 ILE A 98 4.202 -7.132 5.537 1.00 0.00 C ATOM 1505 CD1 ILE A 98 2.234 -4.700 5.425 1.00 0.00 C ATOM 0 H ILE A 98 6.117 -3.945 3.784 1.00 0.00 H new ATOM 0 HA ILE A 98 6.265 -5.439 6.322 1.00 0.00 H new ATOM 0 HB ILE A 98 4.301 -5.654 4.002 1.00 0.00 H new ATOM 0 HG12 ILE A 98 3.777 -4.878 6.888 1.00 0.00 H new ATOM 0 HG13 ILE A 98 4.106 -3.698 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 98 3.138 -7.321 5.395 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.779 -7.856 4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 98 4.449 -7.229 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.699 -3.943 5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.141 -4.483 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.807 -5.681 5.633 1.00 0.00 H new ATOM 1517 N HIS A 99 7.176 -6.296 3.295 1.00 0.00 N ATOM 1518 CA HIS A 99 7.950 -7.259 2.520 1.00 0.00 C ATOM 1519 C HIS A 99 8.640 -6.578 1.342 1.00 0.00 C ATOM 1520 O HIS A 99 8.029 -5.783 0.628 1.00 0.00 O ATOM 1521 CB HIS A 99 7.047 -8.385 2.016 1.00 0.00 C ATOM 1522 CG HIS A 99 7.800 -9.563 1.480 1.00 0.00 C ATOM 1523 ND1 HIS A 99 8.113 -10.667 2.244 1.00 0.00 N ATOM 1524 CD2 HIS A 99 8.302 -9.806 0.247 1.00 0.00 C ATOM 1525 CE1 HIS A 99 8.777 -11.538 1.505 1.00 0.00 C ATOM 1526 NE2 HIS A 99 8.904 -11.039 0.288 1.00 0.00 N ATOM 0 H HIS A 99 6.920 -5.451 2.784 1.00 0.00 H new ATOM 0 HA HIS A 99 8.714 -7.682 3.172 1.00 0.00 H new ATOM 0 HB2 HIS A 99 6.404 -8.716 2.831 1.00 0.00 H new ATOM 0 HB3 HIS A 99 6.395 -7.995 1.234 1.00 0.00 H new ATOM 0 HD1 HIS A 99 7.870 -10.792 3.227 1.00 0.00 H new ATOM 0 HD2 HIS A 99 8.240 -9.152 -0.610 1.00 0.00 H new ATOM 0 HE1 HIS A 99 9.152 -12.494 1.839 1.00 0.00 H new ATOM 1534 N MET A 100 9.915 -6.895 1.145 1.00 0.00 N ATOM 1535 CA MET A 100 10.687 -6.314 0.052 1.00 0.00 C ATOM 1536 C MET A 100 11.521 -7.380 -0.651 1.00 0.00 C ATOM 1537 O MET A 100 12.221 -8.160 -0.005 1.00 0.00 O ATOM 1538 CB MET A 100 11.597 -5.202 0.578 1.00 0.00 C ATOM 1539 CG MET A 100 10.859 -4.136 1.371 1.00 0.00 C ATOM 1540 SD MET A 100 10.728 -4.540 3.123 1.00 0.00 S ATOM 1541 CE MET A 100 12.146 -3.664 3.780 1.00 0.00 C ATOM 0 H MET A 100 10.436 -7.551 1.727 1.00 0.00 H new ATOM 0 HA MET A 100 9.988 -5.891 -0.670 1.00 0.00 H new ATOM 0 HB2 MET A 100 12.369 -5.643 1.209 1.00 0.00 H new ATOM 0 HB3 MET A 100 12.105 -4.731 -0.264 1.00 0.00 H new ATOM 0 HG2 MET A 100 11.376 -3.183 1.260 1.00 0.00 H new ATOM 0 HG3 MET A 100 9.859 -4.007 0.956 1.00 0.00 H new ATOM 0 HE1 MET A 100 12.201 -3.817 4.858 1.00 0.00 H new ATOM 0 HE2 MET A 100 13.055 -4.042 3.313 1.00 0.00 H new ATOM 0 HE3 MET A 100 12.045 -2.599 3.570 1.00 0.00 H new ATOM 1551 N CYS A 101 11.440 -7.407 -1.977 1.00 0.00 N ATOM 1552 CA CYS A 101 12.187 -8.379 -2.768 1.00 0.00 C ATOM 1553 C CYS A 101 13.652 -8.414 -2.345 1.00 0.00 C ATOM 1554 O CYS A 101 14.173 -7.474 -1.744 1.00 0.00 O ATOM 1555 CB CYS A 101 12.082 -8.044 -4.257 1.00 0.00 C ATOM 1556 SG CYS A 101 12.043 -6.272 -4.614 1.00 0.00 S ATOM 0 H CYS A 101 10.865 -6.768 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 101 11.753 -9.363 -2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 101 12.928 -8.490 -4.779 1.00 0.00 H new ATOM 0 HB3 CYS A 101 11.180 -8.505 -4.659 1.00 0.00 H new ATOM 0 HG CYS A 101 10.991 -5.742 -4.065 1.00 0.00 H new ATOM 1562 N PRO A 102 14.334 -9.524 -2.664 1.00 0.00 N ATOM 1563 CA PRO A 102 15.748 -9.709 -2.326 1.00 0.00 C ATOM 1564 C PRO A 102 16.662 -8.796 -3.136 1.00 0.00 C ATOM 1565 O PRO A 102 17.876 -8.775 -2.928 1.00 0.00 O ATOM 1566 CB PRO A 102 16.008 -11.176 -2.678 1.00 0.00 C ATOM 1567 CG PRO A 102 14.993 -11.501 -3.719 1.00 0.00 C ATOM 1568 CD PRO A 102 13.777 -10.683 -3.381 1.00 0.00 C ATOM 0 HA PRO A 102 15.953 -9.464 -1.284 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.021 -11.319 -3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 102 15.899 -11.818 -1.804 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.363 -11.257 -4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.760 -12.566 -3.718 1.00 0.00 H new ATOM 0 HD2 PRO A 102 13.236 -10.379 -4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 102 13.077 -11.242 -2.760 1.00 0.00 H new ATOM 1576 N SER A 103 16.073 -8.044 -4.059 1.00 0.00 N ATOM 1577 CA SER A 103 16.835 -7.131 -4.903 1.00 0.00 C ATOM 1578 C SER A 103 16.831 -5.721 -4.321 1.00 0.00 C ATOM 1579 O SER A 103 17.745 -4.933 -4.563 1.00 0.00 O ATOM 1580 CB SER A 103 16.259 -7.112 -6.320 1.00 0.00 C ATOM 1581 OG SER A 103 16.859 -8.110 -7.128 1.00 0.00 O ATOM 0 H SER A 103 15.070 -8.049 -4.242 1.00 0.00 H new ATOM 0 HA SER A 103 17.865 -7.486 -4.942 1.00 0.00 H new ATOM 0 HB2 SER A 103 15.181 -7.271 -6.280 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.420 -6.132 -6.768 1.00 0.00 H new ATOM 0 HG SER A 103 16.473 -8.078 -8.028 1.00 0.00 H new ATOM 1587 N THR A 104 15.793 -5.409 -3.550 1.00 0.00 N ATOM 1588 CA THR A 104 15.667 -4.094 -2.933 1.00 0.00 C ATOM 1589 C THR A 104 16.222 -4.098 -1.513 1.00 0.00 C ATOM 1590 O THR A 104 16.895 -3.155 -1.096 1.00 0.00 O ATOM 1591 CB THR A 104 14.199 -3.628 -2.898 1.00 0.00 C ATOM 1592 OG1 THR A 104 13.797 -3.179 -4.197 1.00 0.00 O ATOM 1593 CG2 THR A 104 14.011 -2.508 -1.887 1.00 0.00 C ATOM 0 H THR A 104 15.028 -6.049 -3.338 1.00 0.00 H new ATOM 0 HA THR A 104 16.245 -3.401 -3.544 1.00 0.00 H new ATOM 0 HB THR A 104 13.579 -4.473 -2.599 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.233 -3.861 -4.619 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.967 -2.196 -1.880 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.290 -2.863 -0.895 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.641 -1.662 -2.160 1.00 0.00 H new ATOM 1601 N LYS A 105 15.935 -5.164 -0.774 1.00 0.00 N ATOM 1602 CA LYS A 105 16.407 -5.292 0.600 1.00 0.00 C ATOM 1603 C LYS A 105 17.873 -4.888 0.712 1.00 0.00 C ATOM 1604 O LYS A 105 18.288 -4.293 1.706 1.00 0.00 O ATOM 1605 CB LYS A 105 16.224 -6.729 1.091 1.00 0.00 C ATOM 1606 CG LYS A 105 16.076 -6.843 2.599 1.00 0.00 C ATOM 1607 CD LYS A 105 15.798 -8.274 3.026 1.00 0.00 C ATOM 1608 CE LYS A 105 15.526 -8.367 4.520 1.00 0.00 C ATOM 1609 NZ LYS A 105 14.118 -8.016 4.851 1.00 0.00 N ATOM 0 H LYS A 105 15.378 -5.952 -1.103 1.00 0.00 H new ATOM 0 HA LYS A 105 15.816 -4.623 1.225 1.00 0.00 H new ATOM 0 HB2 LYS A 105 15.342 -7.157 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 105 17.079 -7.325 0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 105 16.986 -6.489 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 105 15.264 -6.198 2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 105 14.941 -8.659 2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 105 16.651 -8.903 2.770 1.00 0.00 H new ATOM 0 HE2 LYS A 105 15.739 -9.379 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 105 16.202 -7.699 5.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 13.974 -8.092 5.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 13.922 -7.042 4.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.473 -8.669 4.362 1.00 0.00 H new ATOM 1623 N GLU A 106 18.652 -5.214 -0.315 1.00 0.00 N ATOM 1624 CA GLU A 106 20.073 -4.884 -0.330 1.00 0.00 C ATOM 1625 C GLU A 106 20.295 -3.422 0.045 1.00 0.00 C ATOM 1626 O GLU A 106 21.157 -3.104 0.865 1.00 0.00 O ATOM 1627 CB GLU A 106 20.669 -5.163 -1.711 1.00 0.00 C ATOM 1628 CG GLU A 106 20.870 -6.642 -2.000 1.00 0.00 C ATOM 1629 CD GLU A 106 22.236 -7.140 -1.568 1.00 0.00 C ATOM 1630 OE1 GLU A 106 23.233 -6.434 -1.824 1.00 0.00 O ATOM 1631 OE2 GLU A 106 22.306 -8.236 -0.973 1.00 0.00 O ATOM 0 H GLU A 106 18.324 -5.706 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 106 20.574 -5.511 0.408 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.015 -4.738 -2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 106 21.628 -4.652 -1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 106 20.099 -7.217 -1.487 1.00 0.00 H new ATOM 0 HG3 GLU A 106 20.743 -6.820 -3.068 1.00 0.00 H new ATOM 1638 N HIS A 107 19.512 -2.535 -0.561 1.00 0.00 N ATOM 1639 CA HIS A 107 19.622 -1.106 -0.291 1.00 0.00 C ATOM 1640 C HIS A 107 19.393 -0.813 1.189 1.00 0.00 C ATOM 1641 O HIS A 107 20.139 -0.051 1.804 1.00 0.00 O ATOM 1642 CB HIS A 107 18.617 -0.326 -1.139 1.00 0.00 C ATOM 1643 CG HIS A 107 18.426 1.090 -0.690 1.00 0.00 C ATOM 1644 ND1 HIS A 107 19.393 2.062 -0.834 1.00 0.00 N ATOM 1645 CD2 HIS A 107 17.371 1.697 -0.098 1.00 0.00 C ATOM 1646 CE1 HIS A 107 18.942 3.205 -0.349 1.00 0.00 C ATOM 1647 NE2 HIS A 107 17.716 3.010 0.104 1.00 0.00 N ATOM 0 H HIS A 107 18.794 -2.781 -1.243 1.00 0.00 H new ATOM 0 HA HIS A 107 20.631 -0.789 -0.554 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.951 -0.328 -2.177 1.00 0.00 H new ATOM 0 HB3 HIS A 107 17.656 -0.840 -1.113 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.432 1.234 0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.483 4.139 -0.327 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.123 3.720 0.534 1.00 0.00 H new ATOM 1655 N PHE A 108 18.357 -1.423 1.754 1.00 0.00 N ATOM 1656 CA PHE A 108 18.028 -1.227 3.161 1.00 0.00 C ATOM 1657 C PHE A 108 19.136 -1.770 4.059 1.00 0.00 C ATOM 1658 O PHE A 108 19.519 -1.136 5.042 1.00 0.00 O ATOM 1659 CB PHE A 108 16.702 -1.912 3.498 1.00 0.00 C ATOM 1660 CG PHE A 108 15.502 -1.038 3.273 1.00 0.00 C ATOM 1661 CD1 PHE A 108 15.178 -0.037 4.175 1.00 0.00 C ATOM 1662 CD2 PHE A 108 14.697 -1.217 2.160 1.00 0.00 C ATOM 1663 CE1 PHE A 108 14.074 0.769 3.971 1.00 0.00 C ATOM 1664 CE2 PHE A 108 13.592 -0.413 1.950 1.00 0.00 C ATOM 1665 CZ PHE A 108 13.280 0.580 2.857 1.00 0.00 C ATOM 0 H PHE A 108 17.730 -2.058 1.259 1.00 0.00 H new ATOM 0 HA PHE A 108 17.931 -0.156 3.339 1.00 0.00 H new ATOM 0 HB2 PHE A 108 16.604 -2.813 2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 108 16.721 -2.229 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 108 15.796 0.115 5.048 1.00 0.00 H new ATOM 0 HD2 PHE A 108 14.935 -1.993 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 108 13.833 1.546 4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 108 12.973 -0.562 1.077 1.00 0.00 H new ATOM 0 HZ PHE A 108 12.416 1.208 2.696 1.00 0.00 H new ATOM 1675 N ALA A 109 19.646 -2.947 3.714 1.00 0.00 N ATOM 1676 CA ALA A 109 20.711 -3.575 4.487 1.00 0.00 C ATOM 1677 C ALA A 109 21.701 -2.536 5.003 1.00 0.00 C ATOM 1678 O ALA A 109 22.079 -2.554 6.174 1.00 0.00 O ATOM 1679 CB ALA A 109 21.429 -4.619 3.644 1.00 0.00 C ATOM 0 H ALA A 109 19.339 -3.486 2.904 1.00 0.00 H new ATOM 0 HA ALA A 109 20.260 -4.067 5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 109 22.222 -5.080 4.233 1.00 0.00 H new ATOM 0 HB2 ALA A 109 20.719 -5.384 3.330 1.00 0.00 H new ATOM 0 HB3 ALA A 109 21.861 -4.142 2.765 1.00 0.00 H new ATOM 1685 N ARG A 110 22.116 -1.633 4.121 1.00 0.00 N ATOM 1686 CA ARG A 110 23.064 -0.587 4.488 1.00 0.00 C ATOM 1687 C ARG A 110 22.475 0.331 5.554 1.00 0.00 C ATOM 1688 O ARG A 110 23.121 0.625 6.559 1.00 0.00 O ATOM 1689 CB ARG A 110 23.456 0.231 3.256 1.00 0.00 C ATOM 1690 CG ARG A 110 24.184 -0.578 2.194 1.00 0.00 C ATOM 1691 CD ARG A 110 24.675 0.307 1.059 1.00 0.00 C ATOM 1692 NE ARG A 110 25.875 1.053 1.426 1.00 0.00 N ATOM 1693 CZ ARG A 110 25.849 2.249 2.003 1.00 0.00 C ATOM 1694 NH1 ARG A 110 24.690 2.832 2.277 1.00 0.00 N ATOM 1695 NH2 ARG A 110 26.984 2.865 2.307 1.00 0.00 N ATOM 0 H ARG A 110 21.811 -1.604 3.148 1.00 0.00 H new ATOM 0 HA ARG A 110 23.954 -1.066 4.896 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.557 0.665 2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 110 24.091 1.060 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 110 25.030 -1.095 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 110 23.517 -1.344 1.798 1.00 0.00 H new ATOM 0 HD2 ARG A 110 24.884 -0.309 0.184 1.00 0.00 H new ATOM 0 HD3 ARG A 110 23.887 1.005 0.777 1.00 0.00 H new ATOM 0 HE ARG A 110 26.783 0.633 1.228 1.00 0.00 H new ATOM 0 HH11 ARG A 110 23.815 2.362 2.045 1.00 0.00 H new ATOM 0 HH12 ARG A 110 24.673 3.751 2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 110 27.878 2.420 2.098 1.00 0.00 H new ATOM 0 HH22 ARG A 110 26.963 3.783 2.750 1.00 0.00 H new ATOM 1709 N GLU A 111 21.245 0.781 5.327 1.00 0.00 N ATOM 1710 CA GLU A 111 20.570 1.666 6.269 1.00 0.00 C ATOM 1711 C GLU A 111 20.618 1.096 7.683 1.00 0.00 C ATOM 1712 O GLU A 111 21.009 1.782 8.628 1.00 0.00 O ATOM 1713 CB GLU A 111 19.116 1.885 5.845 1.00 0.00 C ATOM 1714 CG GLU A 111 18.944 2.974 4.799 1.00 0.00 C ATOM 1715 CD GLU A 111 19.958 2.870 3.677 1.00 0.00 C ATOM 1716 OE1 GLU A 111 21.152 3.131 3.929 1.00 0.00 O ATOM 1717 OE2 GLU A 111 19.556 2.527 2.545 1.00 0.00 O ATOM 0 H GLU A 111 20.696 0.547 4.500 1.00 0.00 H new ATOM 0 HA GLU A 111 21.091 2.623 6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 111 18.716 0.950 5.453 1.00 0.00 H new ATOM 0 HB3 GLU A 111 18.525 2.141 6.724 1.00 0.00 H new ATOM 0 HG2 GLU A 111 17.939 2.916 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 111 19.035 3.949 5.277 1.00 0.00 H new ATOM 1724 N TYR A 112 20.219 -0.163 7.821 1.00 0.00 N ATOM 1725 CA TYR A 112 20.213 -0.826 9.119 1.00 0.00 C ATOM 1726 C TYR A 112 21.454 -0.454 9.926 1.00 0.00 C ATOM 1727 O TYR A 112 21.356 -0.032 11.078 1.00 0.00 O ATOM 1728 CB TYR A 112 20.143 -2.344 8.941 1.00 0.00 C ATOM 1729 CG TYR A 112 18.737 -2.867 8.755 1.00 0.00 C ATOM 1730 CD1 TYR A 112 18.018 -2.589 7.599 1.00 0.00 C ATOM 1731 CD2 TYR A 112 18.126 -3.638 9.736 1.00 0.00 C ATOM 1732 CE1 TYR A 112 16.733 -3.064 7.425 1.00 0.00 C ATOM 1733 CE2 TYR A 112 16.842 -4.119 9.570 1.00 0.00 C ATOM 1734 CZ TYR A 112 16.149 -3.829 8.413 1.00 0.00 C ATOM 1735 OH TYR A 112 14.869 -4.305 8.244 1.00 0.00 O ATOM 0 H TYR A 112 19.895 -0.746 7.049 1.00 0.00 H new ATOM 0 HA TYR A 112 19.332 -0.491 9.665 1.00 0.00 H new ATOM 0 HB2 TYR A 112 20.745 -2.628 8.078 1.00 0.00 H new ATOM 0 HB3 TYR A 112 20.588 -2.825 9.812 1.00 0.00 H new ATOM 0 HD1 TYR A 112 18.472 -1.991 6.823 1.00 0.00 H new ATOM 0 HD2 TYR A 112 18.664 -3.865 10.644 1.00 0.00 H new ATOM 0 HE1 TYR A 112 16.188 -2.838 6.520 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.383 -4.719 10.342 1.00 0.00 H new ATOM 0 HH TYR A 112 14.607 -4.826 9.031 1.00 0.00 H new ATOM 1745 N ASP A 113 22.621 -0.615 9.311 1.00 0.00 N ATOM 1746 CA ASP A 113 23.882 -0.295 9.969 1.00 0.00 C ATOM 1747 C ASP A 113 23.947 1.186 10.330 1.00 0.00 C ATOM 1748 O ASP A 113 24.243 2.029 9.482 1.00 0.00 O ATOM 1749 CB ASP A 113 25.061 -0.664 9.067 1.00 0.00 C ATOM 1750 CG ASP A 113 26.319 -0.971 9.855 1.00 0.00 C ATOM 1751 OD1 ASP A 113 26.805 -0.070 10.569 1.00 0.00 O ATOM 1752 OD2 ASP A 113 26.818 -2.112 9.756 1.00 0.00 O ATOM 0 H ASP A 113 22.719 -0.965 8.358 1.00 0.00 H new ATOM 0 HA ASP A 113 23.941 -0.878 10.888 1.00 0.00 H new ATOM 0 HB2 ASP A 113 24.794 -1.530 8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 113 25.259 0.157 8.378 1.00 0.00 H new TER 1757 ASP A 113