USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 816 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 25 GLN : amide:sc= -0.603 K(o=-1.4,f=-5) USER MOD Set 1.2: A 37 MET CE :methyl -120:sc= -1.9! (180deg=-1.38!) USER MOD Set 1.3: A 85 TYR OH : rot 172:sc= 1.08 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -2.2 K(o=-2.2,f=-5.1!) USER MOD Single : A 8 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0612) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -45:sc= 1.12 USER MOD Single : A 23 ASN : amide:sc= 0.281 X(o=0.28,f=0) USER MOD Single : A 24 GLN : amide:sc=-0.000214 X(o=-0.00021,f=-0.23) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 75:sc= 1.21 USER MOD Single : A 39 THR OG1 : rot 95:sc= 1.22 USER MOD Single : A 45 MET CE :methyl -171:sc= 0 (180deg=-0.0861) USER MOD Single : A 46 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.42) USER MOD Single : A 48 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 156:sc= -2.56 USER MOD Single : A 54 GLN : amide:sc= -0.716 K(o=-0.72,f=-2.3!) USER MOD Single : A 55 GLN : amide:sc= -7.99! C(o=-8!,f=-7.2!) USER MOD Single : A 57 THR OG1 : rot 103:sc= 0.282 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -153:sc= -1.05 (180deg=-1.84!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= -1.09 K(o=-1.1,f=0) USER MOD Single : A 75 ASN : amide:sc= 1.16 K(o=1.2,f=-0.23) USER MOD Single : A 76 THR OG1 : rot 88:sc= 1.2 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -3.56 K(o=-3.6,f=-5!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.595 22.634 -7.384 1.00 0.00 N ATOM 2 CA SER A 1 -9.882 23.702 -8.376 1.00 0.00 C ATOM 3 C SER A 1 -8.743 24.714 -8.442 1.00 0.00 C ATOM 4 O SER A 1 -8.228 25.015 -9.519 1.00 0.00 O ATOM 5 CB SER A 1 -11.186 24.398 -7.980 1.00 0.00 C ATOM 6 OG SER A 1 -11.500 25.445 -8.881 1.00 0.00 O ATOM 0 H1 SER A 1 -10.387 21.960 -7.361 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.723 22.135 -7.654 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.474 23.058 -6.442 1.00 0.00 H new ATOM 0 HA SER A 1 -9.980 23.255 -9.365 1.00 0.00 H new ATOM 0 HB2 SER A 1 -11.999 23.672 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 1 -11.096 24.798 -6.970 1.00 0.00 H new ATOM 0 HG SER A 1 -12.338 25.872 -8.607 1.00 0.00 H new ATOM 14 N ALA A 2 -8.350 25.232 -7.282 1.00 0.00 N ATOM 15 CA ALA A 2 -7.269 26.206 -7.208 1.00 0.00 C ATOM 16 C ALA A 2 -5.913 25.513 -7.143 1.00 0.00 C ATOM 17 O ALA A 2 -5.838 24.285 -7.149 1.00 0.00 O ATOM 18 CB ALA A 2 -7.459 27.116 -6.003 1.00 0.00 C ATOM 0 H ALA A 2 -8.765 24.993 -6.381 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.295 26.813 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.644 27.838 -5.961 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.408 27.644 -6.092 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.461 26.518 -5.092 1.00 0.00 H new ATOM 24 N LEU A 3 -4.846 26.311 -7.094 1.00 0.00 N ATOM 25 CA LEU A 3 -3.476 25.791 -7.038 1.00 0.00 C ATOM 26 C LEU A 3 -3.358 24.589 -6.103 1.00 0.00 C ATOM 27 O LEU A 3 -3.063 24.736 -4.917 1.00 0.00 O ATOM 28 CB LEU A 3 -2.515 26.893 -6.587 1.00 0.00 C ATOM 29 CG LEU A 3 -1.142 26.872 -7.263 1.00 0.00 C ATOM 30 CD1 LEU A 3 -0.675 28.286 -7.570 1.00 0.00 C ATOM 31 CD2 LEU A 3 -0.129 26.151 -6.388 1.00 0.00 C ATOM 0 H LEU A 3 -4.904 27.329 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 3 -3.211 25.458 -8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -2.981 27.860 -6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.374 26.812 -5.509 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.230 26.330 -8.204 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.303 28.250 -8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.389 28.768 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.603 28.855 -6.643 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.842 26.145 -6.884 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.044 26.665 -5.430 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.457 25.125 -6.221 1.00 0.00 H new ATOM 43 N LEU A 4 -3.601 23.400 -6.647 1.00 0.00 N ATOM 44 CA LEU A 4 -3.533 22.171 -5.863 1.00 0.00 C ATOM 45 C LEU A 4 -2.524 21.181 -6.443 1.00 0.00 C ATOM 46 O LEU A 4 -2.297 20.117 -5.869 1.00 0.00 O ATOM 47 CB LEU A 4 -4.915 21.521 -5.781 1.00 0.00 C ATOM 48 CG LEU A 4 -5.765 21.962 -4.587 1.00 0.00 C ATOM 49 CD1 LEU A 4 -7.112 21.252 -4.600 1.00 0.00 C ATOM 50 CD2 LEU A 4 -5.030 21.696 -3.279 1.00 0.00 C ATOM 0 H LEU A 4 -3.847 23.262 -7.627 1.00 0.00 H new ATOM 0 HA LEU A 4 -3.197 22.439 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.460 21.744 -6.698 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.790 20.439 -5.739 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.942 23.035 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.703 21.578 -3.744 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.642 21.495 -5.521 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.956 20.175 -4.544 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.650 22.016 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -4.821 20.630 -3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -4.092 22.251 -3.269 1.00 0.00 H new ATOM 62 N LYS A 5 -1.921 21.523 -7.582 1.00 0.00 N ATOM 63 CA LYS A 5 -0.945 20.642 -8.222 1.00 0.00 C ATOM 64 C LYS A 5 0.094 20.148 -7.217 1.00 0.00 C ATOM 65 O LYS A 5 0.495 18.987 -7.244 1.00 0.00 O ATOM 66 CB LYS A 5 -0.249 21.371 -9.373 1.00 0.00 C ATOM 67 CG LYS A 5 0.593 20.457 -10.252 1.00 0.00 C ATOM 68 CD LYS A 5 2.060 20.862 -10.238 1.00 0.00 C ATOM 69 CE LYS A 5 2.457 21.564 -11.526 1.00 0.00 C ATOM 70 NZ LYS A 5 1.775 22.879 -11.675 1.00 0.00 N ATOM 0 H LYS A 5 -2.090 22.398 -8.078 1.00 0.00 H new ATOM 0 HA LYS A 5 -1.480 19.777 -8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.002 21.862 -9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 5 0.388 22.155 -8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.496 19.428 -9.906 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.217 20.487 -11.274 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.248 21.521 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.681 19.977 -10.098 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.537 21.711 -11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.210 20.929 -12.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 2.073 23.325 -12.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.745 22.736 -11.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.030 23.495 -10.877 1.00 0.00 H new ATOM 84 N ALA A 6 0.525 21.039 -6.332 1.00 0.00 N ATOM 85 CA ALA A 6 1.519 20.686 -5.322 1.00 0.00 C ATOM 86 C ALA A 6 1.105 19.420 -4.574 1.00 0.00 C ATOM 87 O ALA A 6 1.947 18.595 -4.205 1.00 0.00 O ATOM 88 CB ALA A 6 1.715 21.838 -4.347 1.00 0.00 C ATOM 0 H ALA A 6 0.205 22.007 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 6 2.465 20.491 -5.826 1.00 0.00 H new ATOM 0 HB1 ALA A 6 2.459 21.560 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.057 22.719 -4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 6 0.770 22.061 -3.852 1.00 0.00 H new ATOM 94 N ASN A 7 -0.199 19.263 -4.372 1.00 0.00 N ATOM 95 CA ASN A 7 -0.727 18.091 -3.685 1.00 0.00 C ATOM 96 C ASN A 7 -0.494 16.838 -4.525 1.00 0.00 C ATOM 97 O ASN A 7 -0.144 15.782 -3.998 1.00 0.00 O ATOM 98 CB ASN A 7 -2.223 18.282 -3.378 1.00 0.00 C ATOM 99 CG ASN A 7 -3.133 17.407 -4.225 1.00 0.00 C ATOM 100 OD1 ASN A 7 -3.708 16.434 -3.736 1.00 0.00 O ATOM 101 ND2 ASN A 7 -3.267 17.750 -5.501 1.00 0.00 N ATOM 0 H ASN A 7 -0.908 19.931 -4.674 1.00 0.00 H new ATOM 0 HA ASN A 7 -0.201 17.967 -2.738 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.400 18.064 -2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.488 19.328 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.865 17.199 -6.117 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.772 18.564 -5.865 1.00 0.00 H new ATOM 108 N LYS A 8 -0.685 16.964 -5.836 1.00 0.00 N ATOM 109 CA LYS A 8 -0.488 15.841 -6.745 1.00 0.00 C ATOM 110 C LYS A 8 0.991 15.474 -6.827 1.00 0.00 C ATOM 111 O LYS A 8 1.341 14.310 -7.018 1.00 0.00 O ATOM 112 CB LYS A 8 -1.052 16.169 -8.136 1.00 0.00 C ATOM 113 CG LYS A 8 -0.096 16.930 -9.049 1.00 0.00 C ATOM 114 CD LYS A 8 0.393 16.059 -10.195 1.00 0.00 C ATOM 115 CE LYS A 8 1.521 16.730 -10.961 1.00 0.00 C ATOM 116 NZ LYS A 8 2.858 16.263 -10.504 1.00 0.00 N ATOM 0 H LYS A 8 -0.975 17.830 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.030 14.979 -6.356 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.337 15.238 -8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.962 16.757 -8.015 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.598 17.811 -9.449 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.757 17.284 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.736 15.101 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.434 15.849 -10.873 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.409 16.524 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.452 17.811 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.589 16.611 -11.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 3.045 16.628 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.875 15.223 -10.487 1.00 0.00 H new ATOM 130 N ASP A 9 1.851 16.475 -6.669 1.00 0.00 N ATOM 131 CA ASP A 9 3.291 16.256 -6.711 1.00 0.00 C ATOM 132 C ASP A 9 3.722 15.398 -5.529 1.00 0.00 C ATOM 133 O ASP A 9 4.429 14.403 -5.692 1.00 0.00 O ATOM 134 CB ASP A 9 4.036 17.592 -6.689 1.00 0.00 C ATOM 135 CG ASP A 9 5.528 17.425 -6.898 1.00 0.00 C ATOM 136 OD1 ASP A 9 6.136 16.592 -6.194 1.00 0.00 O ATOM 137 OD2 ASP A 9 6.089 18.128 -7.766 1.00 0.00 O ATOM 0 H ASP A 9 1.576 17.444 -6.511 1.00 0.00 H new ATOM 0 HA ASP A 9 3.538 15.736 -7.637 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.634 18.242 -7.466 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.859 18.088 -5.735 1.00 0.00 H new ATOM 142 N LEU A 10 3.272 15.782 -4.339 1.00 0.00 N ATOM 143 CA LEU A 10 3.595 15.035 -3.130 1.00 0.00 C ATOM 144 C LEU A 10 2.998 13.634 -3.209 1.00 0.00 C ATOM 145 O LEU A 10 3.651 12.644 -2.874 1.00 0.00 O ATOM 146 CB LEU A 10 3.062 15.766 -1.894 1.00 0.00 C ATOM 147 CG LEU A 10 4.111 16.092 -0.829 1.00 0.00 C ATOM 148 CD1 LEU A 10 4.694 14.814 -0.240 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.211 16.964 -1.416 1.00 0.00 C ATOM 0 H LEU A 10 2.685 16.602 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 10 4.679 14.955 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.592 16.696 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.282 15.156 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 10 3.625 16.646 -0.025 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.438 15.068 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.897 14.228 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.165 14.230 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.949 17.187 -0.645 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.693 16.436 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.780 17.895 -1.785 1.00 0.00 H new ATOM 161 N ILE A 11 1.750 13.567 -3.657 1.00 0.00 N ATOM 162 CA ILE A 11 1.038 12.302 -3.793 1.00 0.00 C ATOM 163 C ILE A 11 1.741 11.366 -4.777 1.00 0.00 C ATOM 164 O ILE A 11 1.989 10.201 -4.468 1.00 0.00 O ATOM 165 CB ILE A 11 -0.416 12.545 -4.257 1.00 0.00 C ATOM 166 CG1 ILE A 11 -1.201 13.279 -3.167 1.00 0.00 C ATOM 167 CG2 ILE A 11 -1.105 11.237 -4.616 1.00 0.00 C ATOM 168 CD1 ILE A 11 -2.442 13.976 -3.682 1.00 0.00 C ATOM 0 H ILE A 11 1.205 14.383 -3.935 1.00 0.00 H new ATOM 0 HA ILE A 11 1.030 11.826 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.387 13.165 -5.153 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -1.489 12.566 -2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.550 14.015 -2.695 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.126 11.440 -4.939 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.560 10.748 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.123 10.584 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.948 14.475 -2.856 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.160 14.714 -4.433 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.113 13.242 -4.128 1.00 0.00 H new ATOM 180 N SER A 12 2.051 11.878 -5.964 1.00 0.00 N ATOM 181 CA SER A 12 2.713 11.080 -6.992 1.00 0.00 C ATOM 182 C SER A 12 4.053 10.543 -6.500 1.00 0.00 C ATOM 183 O SER A 12 4.388 9.383 -6.741 1.00 0.00 O ATOM 184 CB SER A 12 2.919 11.912 -8.259 1.00 0.00 C ATOM 185 OG SER A 12 3.476 11.127 -9.300 1.00 0.00 O ATOM 0 H SER A 12 1.855 12.841 -6.238 1.00 0.00 H new ATOM 0 HA SER A 12 2.069 10.231 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.965 12.328 -8.584 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.577 12.754 -8.042 1.00 0.00 H new ATOM 0 HG SER A 12 3.596 11.681 -10.099 1.00 0.00 H new ATOM 191 N ALA A 13 4.815 11.382 -5.806 1.00 0.00 N ATOM 192 CA ALA A 13 6.111 10.965 -5.285 1.00 0.00 C ATOM 193 C ALA A 13 5.939 9.841 -4.271 1.00 0.00 C ATOM 194 O ALA A 13 6.649 8.833 -4.314 1.00 0.00 O ATOM 195 CB ALA A 13 6.833 12.147 -4.653 1.00 0.00 C ATOM 0 H ALA A 13 4.560 12.346 -5.593 1.00 0.00 H new ATOM 0 HA ALA A 13 6.715 10.593 -6.113 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.799 11.820 -4.269 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.985 12.924 -5.403 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.233 12.545 -3.835 1.00 0.00 H new ATOM 201 N GLY A 14 4.978 10.014 -3.370 1.00 0.00 N ATOM 202 CA GLY A 14 4.716 9.002 -2.370 1.00 0.00 C ATOM 203 C GLY A 14 4.165 7.738 -2.987 1.00 0.00 C ATOM 204 O GLY A 14 4.447 6.634 -2.521 1.00 0.00 O ATOM 0 H GLY A 14 4.378 10.837 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.637 8.774 -1.833 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.007 9.389 -1.638 1.00 0.00 H new ATOM 208 N LEU A 15 3.385 7.901 -4.049 1.00 0.00 N ATOM 209 CA LEU A 15 2.803 6.766 -4.744 1.00 0.00 C ATOM 210 C LEU A 15 3.900 5.963 -5.435 1.00 0.00 C ATOM 211 O LEU A 15 3.876 4.732 -5.440 1.00 0.00 O ATOM 212 CB LEU A 15 1.773 7.253 -5.766 1.00 0.00 C ATOM 213 CG LEU A 15 0.315 7.039 -5.362 1.00 0.00 C ATOM 214 CD1 LEU A 15 -0.198 8.239 -4.584 1.00 0.00 C ATOM 215 CD2 LEU A 15 -0.547 6.783 -6.589 1.00 0.00 C ATOM 0 H LEU A 15 3.143 8.809 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 15 2.301 6.122 -4.022 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.933 8.316 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.952 6.742 -6.712 1.00 0.00 H new ATOM 0 HG LEU A 15 0.258 6.161 -4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.238 8.073 -4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.404 8.374 -3.685 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.129 9.132 -5.205 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.582 6.633 -6.282 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.488 7.640 -7.260 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.189 5.892 -7.106 1.00 0.00 H new ATOM 227 N LYS A 16 4.868 6.674 -6.005 1.00 0.00 N ATOM 228 CA LYS A 16 5.984 6.038 -6.690 1.00 0.00 C ATOM 229 C LYS A 16 6.780 5.178 -5.715 1.00 0.00 C ATOM 230 O LYS A 16 7.006 3.991 -5.957 1.00 0.00 O ATOM 231 CB LYS A 16 6.889 7.103 -7.315 1.00 0.00 C ATOM 232 CG LYS A 16 8.125 6.538 -7.999 1.00 0.00 C ATOM 233 CD LYS A 16 9.344 7.414 -7.757 1.00 0.00 C ATOM 234 CE LYS A 16 10.602 6.581 -7.570 1.00 0.00 C ATOM 235 NZ LYS A 16 10.987 6.471 -6.136 1.00 0.00 N ATOM 0 H LYS A 16 4.900 7.693 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 16 5.593 5.398 -7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.312 7.674 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.203 7.801 -6.538 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.319 5.532 -7.628 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.943 6.454 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.478 8.093 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.180 8.031 -6.873 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.442 5.584 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.421 7.029 -8.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.849 5.896 -6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.165 7.420 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.216 6.020 -5.603 1.00 0.00 H new ATOM 249 N GLU A 17 7.192 5.783 -4.605 1.00 0.00 N ATOM 250 CA GLU A 17 7.952 5.069 -3.586 1.00 0.00 C ATOM 251 C GLU A 17 7.168 3.860 -3.087 1.00 0.00 C ATOM 252 O GLU A 17 7.723 2.775 -2.908 1.00 0.00 O ATOM 253 CB GLU A 17 8.279 5.999 -2.417 1.00 0.00 C ATOM 254 CG GLU A 17 9.503 5.571 -1.622 1.00 0.00 C ATOM 255 CD GLU A 17 10.760 6.301 -2.051 1.00 0.00 C ATOM 256 OE1 GLU A 17 11.427 5.830 -2.996 1.00 0.00 O ATOM 257 OE2 GLU A 17 11.078 7.343 -1.441 1.00 0.00 O ATOM 0 H GLU A 17 7.013 6.764 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 17 8.884 4.723 -4.032 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.439 7.007 -2.799 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.419 6.044 -1.748 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.325 5.753 -0.562 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.652 4.498 -1.741 1.00 0.00 H new ATOM 264 N PHE A 18 5.873 4.059 -2.863 1.00 0.00 N ATOM 265 CA PHE A 18 5.000 2.993 -2.382 1.00 0.00 C ATOM 266 C PHE A 18 5.042 1.785 -3.311 1.00 0.00 C ATOM 267 O PHE A 18 5.116 0.644 -2.855 1.00 0.00 O ATOM 268 CB PHE A 18 3.564 3.503 -2.256 1.00 0.00 C ATOM 269 CG PHE A 18 2.733 2.721 -1.278 1.00 0.00 C ATOM 270 CD1 PHE A 18 3.174 2.520 0.021 1.00 0.00 C ATOM 271 CD2 PHE A 18 1.510 2.190 -1.657 1.00 0.00 C ATOM 272 CE1 PHE A 18 2.412 1.803 0.922 1.00 0.00 C ATOM 273 CE2 PHE A 18 0.744 1.471 -0.759 1.00 0.00 C ATOM 274 CZ PHE A 18 1.195 1.277 0.531 1.00 0.00 C ATOM 0 H PHE A 18 5.403 4.953 -3.008 1.00 0.00 H new ATOM 0 HA PHE A 18 5.359 2.682 -1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.584 4.549 -1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.087 3.468 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.124 2.929 0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.152 2.340 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.766 1.653 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.207 1.061 -1.066 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.598 0.715 1.234 1.00 0.00 H new ATOM 284 N SER A 19 4.986 2.040 -4.611 1.00 0.00 N ATOM 285 CA SER A 19 5.010 0.970 -5.605 1.00 0.00 C ATOM 286 C SER A 19 6.358 0.254 -5.618 1.00 0.00 C ATOM 287 O SER A 19 6.423 -0.971 -5.750 1.00 0.00 O ATOM 288 CB SER A 19 4.705 1.532 -6.995 1.00 0.00 C ATOM 289 OG SER A 19 5.712 2.439 -7.410 1.00 0.00 O ATOM 0 H SER A 19 4.924 2.979 -5.005 1.00 0.00 H new ATOM 0 HA SER A 19 4.243 0.245 -5.333 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.629 0.715 -7.712 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.739 2.037 -6.983 1.00 0.00 H new ATOM 0 HG SER A 19 5.929 3.046 -6.672 1.00 0.00 H new ATOM 295 N VAL A 20 7.435 1.021 -5.462 1.00 0.00 N ATOM 296 CA VAL A 20 8.777 0.447 -5.443 1.00 0.00 C ATOM 297 C VAL A 20 8.926 -0.503 -4.265 1.00 0.00 C ATOM 298 O VAL A 20 9.498 -1.584 -4.387 1.00 0.00 O ATOM 299 CB VAL A 20 9.864 1.535 -5.348 1.00 0.00 C ATOM 300 CG1 VAL A 20 11.222 0.968 -5.734 1.00 0.00 C ATOM 301 CG2 VAL A 20 9.510 2.731 -6.220 1.00 0.00 C ATOM 0 H VAL A 20 7.405 2.034 -5.348 1.00 0.00 H new ATOM 0 HA VAL A 20 8.909 -0.093 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 20 9.917 1.876 -4.314 1.00 0.00 H new ATOM 0 HG11 VAL A 20 11.977 1.751 -5.661 1.00 0.00 H new ATOM 0 HG12 VAL A 20 11.480 0.151 -5.060 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.183 0.596 -6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 20 10.292 3.486 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.423 2.411 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.561 3.154 -5.890 1.00 0.00 H new ATOM 311 N LEU A 21 8.383 -0.088 -3.129 1.00 0.00 N ATOM 312 CA LEU A 21 8.425 -0.896 -1.917 1.00 0.00 C ATOM 313 C LEU A 21 7.434 -2.051 -2.035 1.00 0.00 C ATOM 314 O LEU A 21 7.701 -3.170 -1.599 1.00 0.00 O ATOM 315 CB LEU A 21 8.108 -0.023 -0.692 1.00 0.00 C ATOM 316 CG LEU A 21 7.248 -0.679 0.394 1.00 0.00 C ATOM 317 CD1 LEU A 21 7.906 -1.955 0.900 1.00 0.00 C ATOM 318 CD2 LEU A 21 7.006 0.294 1.539 1.00 0.00 C ATOM 0 H LEU A 21 7.906 0.807 -3.021 1.00 0.00 H new ATOM 0 HA LEU A 21 9.425 -1.310 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.049 0.292 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.601 0.879 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 21 6.284 -0.944 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.281 -2.406 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.025 -2.655 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.884 -1.719 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.394 -0.187 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.961 0.590 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.490 1.177 1.163 1.00 0.00 H new ATOM 330 N LEU A 22 6.286 -1.760 -2.627 1.00 0.00 N ATOM 331 CA LEU A 22 5.238 -2.754 -2.809 1.00 0.00 C ATOM 332 C LEU A 22 5.750 -3.973 -3.575 1.00 0.00 C ATOM 333 O LEU A 22 5.338 -5.101 -3.303 1.00 0.00 O ATOM 334 CB LEU A 22 4.054 -2.133 -3.551 1.00 0.00 C ATOM 335 CG LEU A 22 2.862 -1.760 -2.670 1.00 0.00 C ATOM 336 CD1 LEU A 22 2.083 -0.605 -3.283 1.00 0.00 C ATOM 337 CD2 LEU A 22 1.959 -2.965 -2.467 1.00 0.00 C ATOM 0 H LEU A 22 6.055 -0.836 -2.992 1.00 0.00 H new ATOM 0 HA LEU A 22 4.917 -3.087 -1.822 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.398 -1.237 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.716 -2.833 -4.315 1.00 0.00 H new ATOM 0 HG LEU A 22 3.237 -1.440 -1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.238 -0.354 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.735 0.263 -3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.717 -0.895 -4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.114 -2.685 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.592 -3.312 -3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.522 -3.764 -1.984 1.00 0.00 H new ATOM 349 N ASN A 23 6.630 -3.742 -4.546 1.00 0.00 N ATOM 350 CA ASN A 23 7.167 -4.834 -5.359 1.00 0.00 C ATOM 351 C ASN A 23 8.549 -5.300 -4.889 1.00 0.00 C ATOM 352 O ASN A 23 9.032 -6.345 -5.327 1.00 0.00 O ATOM 353 CB ASN A 23 7.239 -4.403 -6.824 1.00 0.00 C ATOM 354 CG ASN A 23 5.880 -4.415 -7.498 1.00 0.00 C ATOM 355 OD1 ASN A 23 5.482 -5.412 -8.100 1.00 0.00 O ATOM 356 ND2 ASN A 23 5.159 -3.304 -7.398 1.00 0.00 N ATOM 0 H ASN A 23 6.985 -2.817 -4.789 1.00 0.00 H new ATOM 0 HA ASN A 23 6.488 -5.679 -5.247 1.00 0.00 H new ATOM 0 HB2 ASN A 23 7.663 -3.401 -6.885 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.915 -5.068 -7.363 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.236 -3.254 -7.830 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.528 -2.501 -6.889 1.00 0.00 H new ATOM 363 N GLN A 24 9.198 -4.521 -4.026 1.00 0.00 N ATOM 364 CA GLN A 24 10.540 -4.872 -3.548 1.00 0.00 C ATOM 365 C GLN A 24 10.565 -6.156 -2.709 1.00 0.00 C ATOM 366 O GLN A 24 11.632 -6.595 -2.283 1.00 0.00 O ATOM 367 CB GLN A 24 11.161 -3.707 -2.761 1.00 0.00 C ATOM 368 CG GLN A 24 10.778 -3.662 -1.288 1.00 0.00 C ATOM 369 CD GLN A 24 11.602 -2.660 -0.504 1.00 0.00 C ATOM 370 OE1 GLN A 24 11.929 -1.582 -1.001 1.00 0.00 O ATOM 371 NE2 GLN A 24 11.945 -3.012 0.730 1.00 0.00 N ATOM 0 H GLN A 24 8.825 -3.652 -3.645 1.00 0.00 H new ATOM 0 HA GLN A 24 11.140 -5.066 -4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 24 12.246 -3.771 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.862 -2.769 -3.229 1.00 0.00 H new ATOM 0 HG2 GLN A 24 9.722 -3.408 -1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.906 -4.653 -0.852 1.00 0.00 H new ATOM 0 HE21 GLN A 24 11.653 -3.915 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.501 -2.379 1.305 1.00 0.00 H new ATOM 380 N GLN A 25 9.406 -6.765 -2.478 1.00 0.00 N ATOM 381 CA GLN A 25 9.346 -7.999 -1.701 1.00 0.00 C ATOM 382 C GLN A 25 9.820 -9.184 -2.543 1.00 0.00 C ATOM 383 O GLN A 25 10.137 -9.024 -3.721 1.00 0.00 O ATOM 384 CB GLN A 25 7.927 -8.239 -1.191 1.00 0.00 C ATOM 385 CG GLN A 25 7.574 -7.411 0.034 1.00 0.00 C ATOM 386 CD GLN A 25 8.098 -8.019 1.320 1.00 0.00 C ATOM 387 OE1 GLN A 25 8.078 -9.236 1.499 1.00 0.00 O ATOM 388 NE2 GLN A 25 8.570 -7.170 2.226 1.00 0.00 N ATOM 0 H GLN A 25 8.504 -6.429 -2.814 1.00 0.00 H new ATOM 0 HA GLN A 25 10.009 -7.900 -0.842 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.220 -8.012 -1.989 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.810 -9.296 -0.951 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.982 -6.407 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.491 -7.310 0.099 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.568 -6.168 2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.935 -7.520 3.112 1.00 0.00 H new ATOM 397 N VAL A 26 9.885 -10.367 -1.935 1.00 0.00 N ATOM 398 CA VAL A 26 10.343 -11.559 -2.648 1.00 0.00 C ATOM 399 C VAL A 26 9.187 -12.468 -3.063 1.00 0.00 C ATOM 400 O VAL A 26 9.180 -13.662 -2.765 1.00 0.00 O ATOM 401 CB VAL A 26 11.343 -12.368 -1.801 1.00 0.00 C ATOM 402 CG1 VAL A 26 12.689 -11.660 -1.742 1.00 0.00 C ATOM 403 CG2 VAL A 26 10.793 -12.601 -0.402 1.00 0.00 C ATOM 0 H VAL A 26 9.629 -10.526 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 26 10.838 -11.200 -3.550 1.00 0.00 H new ATOM 0 HB VAL A 26 11.490 -13.339 -2.275 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.382 -12.246 -1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 26 13.087 -11.551 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 26 12.562 -10.675 -1.294 1.00 0.00 H new ATOM 0 HG21 VAL A 26 11.514 -13.174 0.181 1.00 0.00 H new ATOM 0 HG22 VAL A 26 10.614 -11.641 0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.856 -13.155 -0.467 1.00 0.00 H new ATOM 413 N PHE A 27 8.192 -11.880 -3.713 1.00 0.00 N ATOM 414 CA PHE A 27 7.008 -12.631 -4.121 1.00 0.00 C ATOM 415 C PHE A 27 7.362 -13.734 -5.110 1.00 0.00 C ATOM 416 O PHE A 27 7.268 -13.559 -6.326 1.00 0.00 O ATOM 417 CB PHE A 27 5.972 -11.711 -4.760 1.00 0.00 C ATOM 418 CG PHE A 27 5.430 -10.664 -3.836 1.00 0.00 C ATOM 419 CD1 PHE A 27 4.485 -10.995 -2.879 1.00 0.00 C ATOM 420 CD2 PHE A 27 5.854 -9.349 -3.932 1.00 0.00 C ATOM 421 CE1 PHE A 27 3.972 -10.033 -2.035 1.00 0.00 C ATOM 422 CE2 PHE A 27 5.344 -8.382 -3.087 1.00 0.00 C ATOM 423 CZ PHE A 27 4.401 -8.725 -2.139 1.00 0.00 C ATOM 0 H PHE A 27 8.178 -10.893 -3.969 1.00 0.00 H new ATOM 0 HA PHE A 27 6.592 -13.080 -3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.421 -11.221 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.145 -12.316 -5.131 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.147 -12.017 -2.793 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.590 -9.077 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.235 -10.303 -1.293 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.683 -7.360 -3.168 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.999 -7.970 -1.479 1.00 0.00 H new ATOM 433 N ASN A 28 7.746 -14.884 -4.561 1.00 0.00 N ATOM 434 CA ASN A 28 8.096 -16.055 -5.355 1.00 0.00 C ATOM 435 C ASN A 28 7.433 -17.292 -4.757 1.00 0.00 C ATOM 436 O ASN A 28 6.512 -17.863 -5.340 1.00 0.00 O ATOM 437 CB ASN A 28 9.614 -16.241 -5.401 1.00 0.00 C ATOM 438 CG ASN A 28 10.089 -16.791 -6.732 1.00 0.00 C ATOM 439 OD1 ASN A 28 10.273 -17.998 -6.887 1.00 0.00 O ATOM 440 ND2 ASN A 28 10.290 -15.906 -7.701 1.00 0.00 N ATOM 0 H ASN A 28 7.823 -15.028 -3.554 1.00 0.00 H new ATOM 0 HA ASN A 28 7.739 -15.910 -6.375 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.100 -15.284 -5.212 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.919 -16.917 -4.602 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.610 -16.218 -8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.125 -14.914 -7.528 1.00 0.00 H new ATOM 447 N ASP A 29 7.896 -17.678 -3.574 1.00 0.00 N ATOM 448 CA ASP A 29 7.343 -18.826 -2.861 1.00 0.00 C ATOM 449 C ASP A 29 6.931 -18.425 -1.444 1.00 0.00 C ATOM 450 O ASP A 29 7.713 -17.822 -0.711 1.00 0.00 O ATOM 451 CB ASP A 29 8.363 -19.969 -2.812 1.00 0.00 C ATOM 452 CG ASP A 29 8.088 -21.034 -3.855 1.00 0.00 C ATOM 453 OD1 ASP A 29 8.174 -20.721 -5.062 1.00 0.00 O ATOM 454 OD2 ASP A 29 7.787 -22.182 -3.466 1.00 0.00 O ATOM 0 H ASP A 29 8.658 -17.210 -3.084 1.00 0.00 H new ATOM 0 HA ASP A 29 6.459 -19.171 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.364 -19.566 -2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.349 -20.423 -1.821 1.00 0.00 H new ATOM 459 N ALA A 30 5.685 -18.714 -1.081 1.00 0.00 N ATOM 460 CA ALA A 30 5.165 -18.334 0.233 1.00 0.00 C ATOM 461 C ALA A 30 5.750 -19.182 1.359 1.00 0.00 C ATOM 462 O ALA A 30 5.257 -20.268 1.664 1.00 0.00 O ATOM 463 CB ALA A 30 3.647 -18.425 0.239 1.00 0.00 C ATOM 0 H ALA A 30 5.017 -19.208 -1.674 1.00 0.00 H new ATOM 0 HA ALA A 30 5.470 -17.304 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.269 -18.140 1.221 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.239 -17.752 -0.516 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.343 -19.448 0.016 1.00 0.00 H new ATOM 469 N LEU A 31 6.808 -18.659 1.973 1.00 0.00 N ATOM 470 CA LEU A 31 7.482 -19.336 3.076 1.00 0.00 C ATOM 471 C LEU A 31 7.908 -18.344 4.156 1.00 0.00 C ATOM 472 O LEU A 31 9.034 -18.397 4.652 1.00 0.00 O ATOM 473 CB LEU A 31 8.705 -20.100 2.564 1.00 0.00 C ATOM 474 CG LEU A 31 9.649 -19.287 1.676 1.00 0.00 C ATOM 475 CD1 LEU A 31 11.099 -19.547 2.055 1.00 0.00 C ATOM 476 CD2 LEU A 31 9.413 -19.613 0.211 1.00 0.00 C ATOM 0 H LEU A 31 7.220 -17.760 1.722 1.00 0.00 H new ATOM 0 HA LEU A 31 6.775 -20.040 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.267 -20.473 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.363 -20.970 2.004 1.00 0.00 H new ATOM 0 HG LEU A 31 9.440 -18.229 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.754 -18.959 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.260 -19.262 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.323 -20.606 1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.093 -19.026 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 31 9.593 -20.674 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.383 -19.373 -0.054 1.00 0.00 H new ATOM 488 N VAL A 32 7.004 -17.437 4.523 1.00 0.00 N ATOM 489 CA VAL A 32 7.301 -16.440 5.548 1.00 0.00 C ATOM 490 C VAL A 32 6.163 -16.329 6.569 1.00 0.00 C ATOM 491 O VAL A 32 6.279 -16.832 7.687 1.00 0.00 O ATOM 492 CB VAL A 32 7.605 -15.052 4.922 1.00 0.00 C ATOM 493 CG1 VAL A 32 6.672 -14.750 3.757 1.00 0.00 C ATOM 494 CG2 VAL A 32 7.539 -13.948 5.972 1.00 0.00 C ATOM 0 H VAL A 32 6.066 -17.372 4.128 1.00 0.00 H new ATOM 0 HA VAL A 32 8.195 -16.778 6.071 1.00 0.00 H new ATOM 0 HB VAL A 32 8.622 -15.086 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.913 -13.771 3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.795 -15.511 2.986 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.640 -14.752 4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.756 -12.988 5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.541 -13.921 6.409 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.273 -14.145 6.754 1.00 0.00 H new ATOM 504 N SER A 33 5.068 -15.673 6.187 1.00 0.00 N ATOM 505 CA SER A 33 3.923 -15.505 7.080 1.00 0.00 C ATOM 506 C SER A 33 2.870 -14.601 6.445 1.00 0.00 C ATOM 507 O SER A 33 3.195 -13.559 5.876 1.00 0.00 O ATOM 508 CB SER A 33 4.369 -14.921 8.423 1.00 0.00 C ATOM 509 OG SER A 33 4.604 -15.946 9.373 1.00 0.00 O ATOM 0 H SER A 33 4.950 -15.250 5.266 1.00 0.00 H new ATOM 0 HA SER A 33 3.483 -16.487 7.251 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.277 -14.335 8.284 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.605 -14.241 8.799 1.00 0.00 H new ATOM 0 HG SER A 33 5.449 -16.397 9.165 1.00 0.00 H new ATOM 515 N GLU A 34 1.608 -15.009 6.540 1.00 0.00 N ATOM 516 CA GLU A 34 0.512 -14.235 5.964 1.00 0.00 C ATOM 517 C GLU A 34 0.200 -12.994 6.799 1.00 0.00 C ATOM 518 O GLU A 34 0.054 -11.893 6.264 1.00 0.00 O ATOM 519 CB GLU A 34 -0.747 -15.098 5.817 1.00 0.00 C ATOM 520 CG GLU A 34 -0.971 -16.075 6.963 1.00 0.00 C ATOM 521 CD GLU A 34 -2.430 -16.182 7.359 1.00 0.00 C ATOM 522 OE1 GLU A 34 -2.886 -15.355 8.177 1.00 0.00 O ATOM 523 OE2 GLU A 34 -3.118 -17.093 6.853 1.00 0.00 O ATOM 0 H GLU A 34 1.319 -15.868 7.008 1.00 0.00 H new ATOM 0 HA GLU A 34 0.833 -13.907 4.975 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.615 -14.444 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.683 -15.658 4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.603 -17.060 6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.386 -15.757 7.826 1.00 0.00 H new ATOM 530 N GLU A 35 0.097 -13.178 8.109 1.00 0.00 N ATOM 531 CA GLU A 35 -0.202 -12.074 9.016 1.00 0.00 C ATOM 532 C GLU A 35 0.967 -11.102 9.099 1.00 0.00 C ATOM 533 O GLU A 35 0.777 -9.909 9.332 1.00 0.00 O ATOM 534 CB GLU A 35 -0.538 -12.610 10.409 1.00 0.00 C ATOM 535 CG GLU A 35 -1.785 -13.480 10.443 1.00 0.00 C ATOM 536 CD GLU A 35 -2.944 -12.813 11.157 1.00 0.00 C ATOM 537 OE1 GLU A 35 -3.675 -12.037 10.508 1.00 0.00 O ATOM 538 OE2 GLU A 35 -3.121 -13.068 12.367 1.00 0.00 O ATOM 0 H GLU A 35 0.216 -14.081 8.569 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.065 -11.537 8.622 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.308 -13.188 10.780 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.673 -11.769 11.090 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.083 -13.721 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.552 -14.423 10.939 1.00 0.00 H new ATOM 545 N ASP A 36 2.177 -11.613 8.899 1.00 0.00 N ATOM 546 CA ASP A 36 3.365 -10.774 8.948 1.00 0.00 C ATOM 547 C ASP A 36 3.320 -9.740 7.835 1.00 0.00 C ATOM 548 O ASP A 36 3.395 -8.538 8.090 1.00 0.00 O ATOM 549 CB ASP A 36 4.632 -11.624 8.832 1.00 0.00 C ATOM 550 CG ASP A 36 5.086 -12.171 10.172 1.00 0.00 C ATOM 551 OD1 ASP A 36 4.863 -11.491 11.196 1.00 0.00 O ATOM 552 OD2 ASP A 36 5.662 -13.278 10.196 1.00 0.00 O ATOM 0 H ASP A 36 2.359 -12.597 8.703 1.00 0.00 H new ATOM 0 HA ASP A 36 3.385 -10.259 9.908 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.449 -12.452 8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 36 5.431 -11.023 8.398 1.00 0.00 H new ATOM 557 N MET A 37 3.173 -10.209 6.600 1.00 0.00 N ATOM 558 CA MET A 37 3.092 -9.311 5.457 1.00 0.00 C ATOM 559 C MET A 37 1.929 -8.349 5.650 1.00 0.00 C ATOM 560 O MET A 37 2.070 -7.139 5.471 1.00 0.00 O ATOM 561 CB MET A 37 2.910 -10.104 4.162 1.00 0.00 C ATOM 562 CG MET A 37 2.994 -9.249 2.909 1.00 0.00 C ATOM 563 SD MET A 37 4.674 -8.702 2.552 1.00 0.00 S ATOM 564 CE MET A 37 5.521 -10.275 2.431 1.00 0.00 C ATOM 0 H MET A 37 3.108 -11.200 6.367 1.00 0.00 H new ATOM 0 HA MET A 37 4.021 -8.746 5.384 1.00 0.00 H new ATOM 0 HB2 MET A 37 3.671 -10.883 4.112 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.942 -10.605 4.186 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.613 -9.817 2.060 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.349 -8.378 3.025 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.310 -10.322 3.181 1.00 0.00 H new ATOM 0 HE2 MET A 37 4.811 -11.085 2.600 1.00 0.00 H new ATOM 0 HE3 MET A 37 5.958 -10.377 1.438 1.00 0.00 H new ATOM 574 N VAL A 38 0.773 -8.903 6.003 1.00 0.00 N ATOM 575 CA VAL A 38 -0.426 -8.103 6.205 1.00 0.00 C ATOM 576 C VAL A 38 -0.185 -7.017 7.252 1.00 0.00 C ATOM 577 O VAL A 38 -0.556 -5.856 7.047 1.00 0.00 O ATOM 578 CB VAL A 38 -1.606 -8.997 6.648 1.00 0.00 C ATOM 579 CG1 VAL A 38 -2.809 -8.165 7.070 1.00 0.00 C ATOM 580 CG2 VAL A 38 -1.983 -9.965 5.536 1.00 0.00 C ATOM 0 H VAL A 38 0.643 -9.903 6.155 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.674 -7.628 5.256 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.284 -9.571 7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.620 -8.826 7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.532 -7.522 7.905 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.138 -7.550 6.232 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.816 -10.588 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.276 -9.404 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.128 -10.598 5.299 1.00 0.00 H new ATOM 590 N THR A 39 0.457 -7.376 8.362 1.00 0.00 N ATOM 591 CA THR A 39 0.752 -6.400 9.399 1.00 0.00 C ATOM 592 C THR A 39 1.699 -5.342 8.853 1.00 0.00 C ATOM 593 O THR A 39 1.630 -4.171 9.230 1.00 0.00 O ATOM 594 CB THR A 39 1.370 -7.084 10.620 1.00 0.00 C ATOM 595 OG1 THR A 39 0.520 -8.109 11.105 1.00 0.00 O ATOM 596 CG2 THR A 39 1.642 -6.134 11.765 1.00 0.00 C ATOM 0 H THR A 39 0.778 -8.323 8.562 1.00 0.00 H new ATOM 0 HA THR A 39 -0.178 -5.923 9.708 1.00 0.00 H new ATOM 0 HB THR A 39 2.320 -7.490 10.273 1.00 0.00 H new ATOM 0 HG1 THR A 39 0.798 -8.970 10.729 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.080 -6.684 12.598 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.335 -5.359 11.438 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.708 -5.673 12.085 1.00 0.00 H new ATOM 604 N VAL A 40 2.579 -5.767 7.952 1.00 0.00 N ATOM 605 CA VAL A 40 3.540 -4.868 7.332 1.00 0.00 C ATOM 606 C VAL A 40 2.837 -3.887 6.400 1.00 0.00 C ATOM 607 O VAL A 40 3.165 -2.701 6.371 1.00 0.00 O ATOM 608 CB VAL A 40 4.608 -5.648 6.543 1.00 0.00 C ATOM 609 CG1 VAL A 40 5.639 -4.698 5.958 1.00 0.00 C ATOM 610 CG2 VAL A 40 5.276 -6.689 7.429 1.00 0.00 C ATOM 0 H VAL A 40 2.645 -6.734 7.635 1.00 0.00 H new ATOM 0 HA VAL A 40 4.032 -4.316 8.133 1.00 0.00 H new ATOM 0 HB VAL A 40 4.116 -6.167 5.720 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.385 -5.267 5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.146 -3.995 5.286 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.126 -4.149 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.027 -7.229 6.853 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.754 -6.194 8.275 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.526 -7.390 7.795 1.00 0.00 H new ATOM 620 N VAL A 41 1.859 -4.384 5.644 1.00 0.00 N ATOM 621 CA VAL A 41 1.108 -3.539 4.723 1.00 0.00 C ATOM 622 C VAL A 41 0.420 -2.415 5.487 1.00 0.00 C ATOM 623 O VAL A 41 0.613 -1.237 5.185 1.00 0.00 O ATOM 624 CB VAL A 41 0.046 -4.345 3.932 1.00 0.00 C ATOM 625 CG1 VAL A 41 -0.982 -3.418 3.291 1.00 0.00 C ATOM 626 CG2 VAL A 41 0.704 -5.217 2.874 1.00 0.00 C ATOM 0 H VAL A 41 1.571 -5.362 5.652 1.00 0.00 H new ATOM 0 HA VAL A 41 1.820 -3.125 4.009 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.472 -4.992 4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.714 -4.011 2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.488 -2.843 4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.479 -2.737 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.062 -5.773 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.257 -4.588 2.177 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.389 -5.916 3.353 1.00 0.00 H new ATOM 636 N GLU A 42 -0.380 -2.784 6.483 1.00 0.00 N ATOM 637 CA GLU A 42 -1.085 -1.793 7.285 1.00 0.00 C ATOM 638 C GLU A 42 -0.091 -0.893 8.011 1.00 0.00 C ATOM 639 O GLU A 42 -0.340 0.297 8.204 1.00 0.00 O ATOM 640 CB GLU A 42 -2.018 -2.475 8.288 1.00 0.00 C ATOM 641 CG GLU A 42 -3.415 -1.873 8.321 1.00 0.00 C ATOM 642 CD GLU A 42 -3.738 -1.221 9.651 1.00 0.00 C ATOM 643 OE1 GLU A 42 -3.539 -1.874 10.697 1.00 0.00 O ATOM 644 OE2 GLU A 42 -4.189 -0.056 9.646 1.00 0.00 O ATOM 0 H GLU A 42 -0.554 -3.752 6.751 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.689 -1.178 6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.093 -3.534 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.579 -2.410 9.284 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.506 -1.133 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.148 -2.653 8.116 1.00 0.00 H new ATOM 651 N ASP A 43 1.035 -1.468 8.416 1.00 0.00 N ATOM 652 CA ASP A 43 2.063 -0.714 9.120 1.00 0.00 C ATOM 653 C ASP A 43 2.628 0.392 8.233 1.00 0.00 C ATOM 654 O ASP A 43 2.793 1.530 8.675 1.00 0.00 O ATOM 655 CB ASP A 43 3.189 -1.644 9.575 1.00 0.00 C ATOM 656 CG ASP A 43 3.084 -2.004 11.043 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.323 -1.118 11.890 1.00 0.00 O ATOM 658 OD2 ASP A 43 2.763 -3.172 11.347 1.00 0.00 O ATOM 0 H ASP A 43 1.258 -2.452 8.269 1.00 0.00 H new ATOM 0 HA ASP A 43 1.605 -0.256 9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.167 -2.556 8.978 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.150 -1.164 9.389 1.00 0.00 H new ATOM 663 N TRP A 44 2.938 0.052 6.984 1.00 0.00 N ATOM 664 CA TRP A 44 3.499 1.017 6.046 1.00 0.00 C ATOM 665 C TRP A 44 2.503 2.127 5.715 1.00 0.00 C ATOM 666 O TRP A 44 2.844 3.308 5.753 1.00 0.00 O ATOM 667 CB TRP A 44 3.914 0.306 4.755 1.00 0.00 C ATOM 668 CG TRP A 44 5.115 -0.576 4.911 1.00 0.00 C ATOM 669 CD1 TRP A 44 6.072 -0.497 5.880 1.00 0.00 C ATOM 670 CD2 TRP A 44 5.488 -1.673 4.067 1.00 0.00 C ATOM 671 NE1 TRP A 44 7.020 -1.473 5.689 1.00 0.00 N ATOM 672 CE2 TRP A 44 6.683 -2.209 4.583 1.00 0.00 C ATOM 673 CE3 TRP A 44 4.927 -2.253 2.926 1.00 0.00 C ATOM 674 CZ2 TRP A 44 7.326 -3.297 3.995 1.00 0.00 C ATOM 675 CZ3 TRP A 44 5.565 -3.332 2.345 1.00 0.00 C ATOM 676 CH2 TRP A 44 6.753 -3.844 2.880 1.00 0.00 C ATOM 0 H TRP A 44 2.810 -0.884 6.600 1.00 0.00 H new ATOM 0 HA TRP A 44 4.369 1.471 6.519 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.078 -0.294 4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.121 1.054 3.989 1.00 0.00 H new ATOM 0 HD1 TRP A 44 6.083 0.227 6.681 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.841 -1.625 6.275 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.011 -1.865 2.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.243 -3.694 4.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.140 -3.788 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 44 7.227 -4.689 2.402 1.00 0.00 H new ATOM 687 N MET A 45 1.277 1.741 5.372 1.00 0.00 N ATOM 688 CA MET A 45 0.245 2.711 5.014 1.00 0.00 C ATOM 689 C MET A 45 0.000 3.709 6.140 1.00 0.00 C ATOM 690 O MET A 45 -0.080 4.914 5.903 1.00 0.00 O ATOM 691 CB MET A 45 -1.058 1.993 4.640 1.00 0.00 C ATOM 692 CG MET A 45 -1.795 1.388 5.822 1.00 0.00 C ATOM 693 SD MET A 45 -3.272 0.479 5.328 1.00 0.00 S ATOM 694 CE MET A 45 -4.376 1.822 4.903 1.00 0.00 C ATOM 0 H MET A 45 0.974 0.768 5.334 1.00 0.00 H new ATOM 0 HA MET A 45 0.600 3.270 4.148 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.718 2.700 4.137 1.00 0.00 H new ATOM 0 HB3 MET A 45 -0.832 1.203 3.924 1.00 0.00 H new ATOM 0 HG2 MET A 45 -1.124 0.718 6.360 1.00 0.00 H new ATOM 0 HG3 MET A 45 -2.076 2.181 6.515 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.378 1.429 4.732 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.403 2.543 5.720 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.020 2.313 3.998 1.00 0.00 H new ATOM 704 N ASN A 46 -0.117 3.207 7.359 1.00 0.00 N ATOM 705 CA ASN A 46 -0.354 4.065 8.514 1.00 0.00 C ATOM 706 C ASN A 46 0.848 4.966 8.777 1.00 0.00 C ATOM 707 O ASN A 46 0.695 6.144 9.103 1.00 0.00 O ATOM 708 CB ASN A 46 -0.656 3.219 9.753 1.00 0.00 C ATOM 709 CG ASN A 46 -2.144 3.074 10.006 1.00 0.00 C ATOM 710 OD1 ASN A 46 -2.731 3.833 10.777 1.00 0.00 O ATOM 711 ND2 ASN A 46 -2.762 2.095 9.356 1.00 0.00 N ATOM 0 H ASN A 46 -0.052 2.213 7.576 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.216 4.695 8.297 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.213 2.231 9.631 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.185 3.674 10.624 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.763 1.949 9.486 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.236 1.489 8.726 1.00 0.00 H new ATOM 718 N PHE A 47 2.043 4.407 8.626 1.00 0.00 N ATOM 719 CA PHE A 47 3.269 5.162 8.843 1.00 0.00 C ATOM 720 C PHE A 47 3.417 6.259 7.793 1.00 0.00 C ATOM 721 O PHE A 47 3.903 7.351 8.086 1.00 0.00 O ATOM 722 CB PHE A 47 4.482 4.228 8.804 1.00 0.00 C ATOM 723 CG PHE A 47 5.799 4.942 8.920 1.00 0.00 C ATOM 724 CD1 PHE A 47 6.340 5.604 7.830 1.00 0.00 C ATOM 725 CD2 PHE A 47 6.495 4.950 10.118 1.00 0.00 C ATOM 726 CE1 PHE A 47 7.552 6.262 7.933 1.00 0.00 C ATOM 727 CE2 PHE A 47 7.707 5.604 10.226 1.00 0.00 C ATOM 728 CZ PHE A 47 8.237 6.262 9.132 1.00 0.00 C ATOM 0 H PHE A 47 2.188 3.435 8.354 1.00 0.00 H new ATOM 0 HA PHE A 47 3.215 5.629 9.827 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.398 3.505 9.615 1.00 0.00 H new ATOM 0 HB3 PHE A 47 4.465 3.664 7.871 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.809 5.606 6.889 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.085 4.439 10.977 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.963 6.776 7.076 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.240 5.601 11.165 1.00 0.00 H new ATOM 0 HZ PHE A 47 9.184 6.775 9.215 1.00 0.00 H new ATOM 738 N TYR A 48 2.992 5.959 6.572 1.00 0.00 N ATOM 739 CA TYR A 48 3.079 6.920 5.480 1.00 0.00 C ATOM 740 C TYR A 48 2.138 8.097 5.714 1.00 0.00 C ATOM 741 O TYR A 48 2.528 9.252 5.556 1.00 0.00 O ATOM 742 CB TYR A 48 2.751 6.244 4.147 1.00 0.00 C ATOM 743 CG TYR A 48 3.965 5.693 3.433 1.00 0.00 C ATOM 744 CD1 TYR A 48 5.014 6.525 3.060 1.00 0.00 C ATOM 745 CD2 TYR A 48 4.060 4.340 3.130 1.00 0.00 C ATOM 746 CE1 TYR A 48 6.124 6.023 2.406 1.00 0.00 C ATOM 747 CE2 TYR A 48 5.167 3.831 2.477 1.00 0.00 C ATOM 748 CZ TYR A 48 6.195 4.677 2.117 1.00 0.00 C ATOM 749 OH TYR A 48 7.298 4.175 1.466 1.00 0.00 O ATOM 0 H TYR A 48 2.585 5.060 6.314 1.00 0.00 H new ATOM 0 HA TYR A 48 4.101 7.298 5.444 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.045 5.433 4.325 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.253 6.964 3.497 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.961 7.580 3.285 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.256 3.675 3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 48 6.931 6.682 2.123 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.227 2.777 2.250 1.00 0.00 H new ATOM 0 HH TYR A 48 7.311 3.199 1.549 1.00 0.00 H new ATOM 759 N ILE A 49 0.898 7.801 6.091 1.00 0.00 N ATOM 760 CA ILE A 49 -0.086 8.847 6.344 1.00 0.00 C ATOM 761 C ILE A 49 0.381 9.773 7.465 1.00 0.00 C ATOM 762 O ILE A 49 0.478 10.989 7.282 1.00 0.00 O ATOM 763 CB ILE A 49 -1.460 8.249 6.715 1.00 0.00 C ATOM 764 CG1 ILE A 49 -1.993 7.391 5.564 1.00 0.00 C ATOM 765 CG2 ILE A 49 -2.454 9.350 7.067 1.00 0.00 C ATOM 766 CD1 ILE A 49 -2.365 8.191 4.334 1.00 0.00 C ATOM 0 H ILE A 49 0.552 6.851 6.227 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.190 9.420 5.423 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.333 7.615 7.593 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.238 6.653 5.293 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.869 6.840 5.908 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.415 8.904 7.325 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.079 9.921 7.917 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.580 10.014 6.211 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.734 7.518 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.142 8.911 4.590 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.487 8.721 3.965 1.00 0.00 H new ATOM 778 N ASN A 50 0.665 9.189 8.623 1.00 0.00 N ATOM 779 CA ASN A 50 1.117 9.956 9.777 1.00 0.00 C ATOM 780 C ASN A 50 2.379 10.754 9.457 1.00 0.00 C ATOM 781 O ASN A 50 2.560 11.866 9.952 1.00 0.00 O ATOM 782 CB ASN A 50 1.378 9.024 10.961 1.00 0.00 C ATOM 783 CG ASN A 50 1.001 9.654 12.287 1.00 0.00 C ATOM 784 OD1 ASN A 50 -0.105 9.455 12.790 1.00 0.00 O ATOM 785 ND2 ASN A 50 1.921 10.421 12.861 1.00 0.00 N ATOM 0 H ASN A 50 0.590 8.185 8.788 1.00 0.00 H new ATOM 0 HA ASN A 50 0.327 10.661 10.038 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.812 8.102 10.826 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.433 8.750 10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.724 10.872 13.754 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.825 10.559 12.409 1.00 0.00 H new ATOM 792 N TYR A 51 3.256 10.179 8.638 1.00 0.00 N ATOM 793 CA TYR A 51 4.504 10.840 8.270 1.00 0.00 C ATOM 794 C TYR A 51 4.270 11.987 7.291 1.00 0.00 C ATOM 795 O TYR A 51 4.775 13.094 7.484 1.00 0.00 O ATOM 796 CB TYR A 51 5.469 9.830 7.646 1.00 0.00 C ATOM 797 CG TYR A 51 6.888 10.339 7.535 1.00 0.00 C ATOM 798 CD1 TYR A 51 7.781 10.205 8.592 1.00 0.00 C ATOM 799 CD2 TYR A 51 7.334 10.957 6.374 1.00 0.00 C ATOM 800 CE1 TYR A 51 9.077 10.672 8.493 1.00 0.00 C ATOM 801 CE2 TYR A 51 8.629 11.426 6.267 1.00 0.00 C ATOM 802 CZ TYR A 51 9.496 11.282 7.329 1.00 0.00 C ATOM 803 OH TYR A 51 10.787 11.748 7.227 1.00 0.00 O ATOM 0 H TYR A 51 3.126 9.259 8.218 1.00 0.00 H new ATOM 0 HA TYR A 51 4.936 11.253 9.181 1.00 0.00 H new ATOM 0 HB2 TYR A 51 5.464 8.918 8.244 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.109 9.562 6.653 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.456 9.728 9.505 1.00 0.00 H new ATOM 0 HD2 TYR A 51 6.657 11.073 5.541 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.759 10.560 9.323 1.00 0.00 H new ATOM 0 HE2 TYR A 51 8.960 11.903 5.356 1.00 0.00 H new ATOM 0 HH TYR A 51 10.921 12.149 6.343 1.00 0.00 H new ATOM 813 N TYR A 52 3.519 11.711 6.231 1.00 0.00 N ATOM 814 CA TYR A 52 3.239 12.711 5.208 1.00 0.00 C ATOM 815 C TYR A 52 2.516 13.925 5.785 1.00 0.00 C ATOM 816 O TYR A 52 2.688 15.044 5.303 1.00 0.00 O ATOM 817 CB TYR A 52 2.417 12.096 4.075 1.00 0.00 C ATOM 818 CG TYR A 52 3.276 11.536 2.965 1.00 0.00 C ATOM 819 CD1 TYR A 52 4.015 12.379 2.145 1.00 0.00 C ATOM 820 CD2 TYR A 52 3.361 10.167 2.746 1.00 0.00 C ATOM 821 CE1 TYR A 52 4.814 11.875 1.140 1.00 0.00 C ATOM 822 CE2 TYR A 52 4.157 9.655 1.740 1.00 0.00 C ATOM 823 CZ TYR A 52 4.883 10.513 0.941 1.00 0.00 C ATOM 824 OH TYR A 52 5.684 10.008 -0.056 1.00 0.00 O ATOM 0 H TYR A 52 3.092 10.801 6.058 1.00 0.00 H new ATOM 0 HA TYR A 52 4.195 13.053 4.812 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.789 11.302 4.478 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.749 12.853 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 52 3.963 13.447 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.796 9.492 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.383 12.545 0.512 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.211 8.588 1.580 1.00 0.00 H new ATOM 0 HH TYR A 52 5.930 9.084 0.159 1.00 0.00 H new ATOM 834 N ARG A 53 1.710 13.702 6.816 1.00 0.00 N ATOM 835 CA ARG A 53 0.968 14.787 7.448 1.00 0.00 C ATOM 836 C ARG A 53 1.903 15.917 7.885 1.00 0.00 C ATOM 837 O ARG A 53 1.514 17.084 7.903 1.00 0.00 O ATOM 838 CB ARG A 53 0.185 14.261 8.653 1.00 0.00 C ATOM 839 CG ARG A 53 -1.238 14.788 8.733 1.00 0.00 C ATOM 840 CD ARG A 53 -2.171 13.775 9.379 1.00 0.00 C ATOM 841 NE ARG A 53 -2.122 13.836 10.837 1.00 0.00 N ATOM 842 CZ ARG A 53 -2.614 12.890 11.636 1.00 0.00 C ATOM 843 NH1 ARG A 53 -3.191 11.812 11.122 1.00 0.00 N ATOM 844 NH2 ARG A 53 -2.528 13.025 12.953 1.00 0.00 N ATOM 0 H ARG A 53 1.554 12.784 7.231 1.00 0.00 H new ATOM 0 HA ARG A 53 0.270 15.188 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.158 13.172 8.611 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.715 14.531 9.566 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.252 15.715 9.306 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.596 15.027 7.731 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.192 13.957 9.043 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.901 12.772 9.049 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.686 14.650 11.269 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.260 11.704 10.110 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.566 11.091 11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.086 13.852 13.353 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.904 12.301 13.565 1.00 0.00 H new ATOM 858 N GLN A 54 3.129 15.558 8.257 1.00 0.00 N ATOM 859 CA GLN A 54 4.113 16.537 8.719 1.00 0.00 C ATOM 860 C GLN A 54 4.747 17.319 7.564 1.00 0.00 C ATOM 861 O GLN A 54 5.259 18.420 7.767 1.00 0.00 O ATOM 862 CB GLN A 54 5.204 15.836 9.532 1.00 0.00 C ATOM 863 CG GLN A 54 5.354 16.381 10.944 1.00 0.00 C ATOM 864 CD GLN A 54 4.067 16.297 11.740 1.00 0.00 C ATOM 865 OE1 GLN A 54 3.161 17.113 11.564 1.00 0.00 O ATOM 866 NE2 GLN A 54 3.980 15.309 12.623 1.00 0.00 N ATOM 0 H GLN A 54 3.466 14.595 8.248 1.00 0.00 H new ATOM 0 HA GLN A 54 3.584 17.255 9.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.979 14.771 9.584 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.156 15.936 9.010 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.135 15.825 11.463 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.680 17.420 10.896 1.00 0.00 H new ATOM 0 HE21 GLN A 54 4.755 14.656 12.736 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.138 15.203 13.189 1.00 0.00 H new ATOM 875 N GLN A 55 4.718 16.757 6.359 1.00 0.00 N ATOM 876 CA GLN A 55 5.305 17.430 5.198 1.00 0.00 C ATOM 877 C GLN A 55 4.246 18.183 4.397 1.00 0.00 C ATOM 878 O GLN A 55 4.379 18.370 3.188 1.00 0.00 O ATOM 879 CB GLN A 55 6.041 16.435 4.294 1.00 0.00 C ATOM 880 CG GLN A 55 5.365 15.081 4.177 1.00 0.00 C ATOM 881 CD GLN A 55 6.139 14.121 3.296 1.00 0.00 C ATOM 882 OE1 GLN A 55 6.401 12.981 3.682 1.00 0.00 O ATOM 883 NE2 GLN A 55 6.510 14.577 2.106 1.00 0.00 N ATOM 0 H GLN A 55 4.300 15.848 6.159 1.00 0.00 H new ATOM 0 HA GLN A 55 6.027 18.153 5.576 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.136 16.868 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.051 16.292 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.253 14.647 5.171 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.362 15.213 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.271 15.529 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.034 13.976 1.470 1.00 0.00 H new ATOM 892 N VAL A 56 3.198 18.617 5.087 1.00 0.00 N ATOM 893 CA VAL A 56 2.117 19.354 4.447 1.00 0.00 C ATOM 894 C VAL A 56 2.486 20.831 4.275 1.00 0.00 C ATOM 895 O VAL A 56 3.072 21.206 3.260 1.00 0.00 O ATOM 896 CB VAL A 56 0.798 19.215 5.232 1.00 0.00 C ATOM 897 CG1 VAL A 56 -0.333 19.935 4.514 1.00 0.00 C ATOM 898 CG2 VAL A 56 0.462 17.745 5.434 1.00 0.00 C ATOM 0 H VAL A 56 3.074 18.471 6.089 1.00 0.00 H new ATOM 0 HA VAL A 56 1.967 18.919 3.459 1.00 0.00 H new ATOM 0 HB VAL A 56 0.923 19.679 6.210 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.255 19.824 5.085 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.089 20.993 4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.467 19.504 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.472 17.658 5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.353 17.260 4.464 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.263 17.262 5.993 1.00 0.00 H new ATOM 908 N THR A 57 2.138 21.663 5.266 1.00 0.00 N ATOM 909 CA THR A 57 2.427 23.105 5.239 1.00 0.00 C ATOM 910 C THR A 57 1.229 23.904 4.729 1.00 0.00 C ATOM 911 O THR A 57 1.151 25.115 4.935 1.00 0.00 O ATOM 912 CB THR A 57 3.668 23.419 4.394 1.00 0.00 C ATOM 913 OG1 THR A 57 4.687 22.463 4.623 1.00 0.00 O ATOM 914 CG2 THR A 57 4.252 24.788 4.673 1.00 0.00 C ATOM 0 H THR A 57 1.649 21.357 6.107 1.00 0.00 H new ATOM 0 HA THR A 57 2.631 23.405 6.267 1.00 0.00 H new ATOM 0 HB THR A 57 3.326 23.391 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.717 21.831 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.127 24.946 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.506 25.553 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 57 4.544 24.852 5.721 1.00 0.00 H new ATOM 922 N GLY A 58 0.288 23.223 4.082 1.00 0.00 N ATOM 923 CA GLY A 58 -0.899 23.895 3.584 1.00 0.00 C ATOM 924 C GLY A 58 -1.941 24.041 4.673 1.00 0.00 C ATOM 925 O GLY A 58 -1.729 23.577 5.792 1.00 0.00 O ATOM 0 H GLY A 58 0.326 22.221 3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.629 24.879 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.317 23.331 2.750 1.00 0.00 H new ATOM 929 N GLU A 59 -3.069 24.678 4.369 1.00 0.00 N ATOM 930 CA GLU A 59 -4.122 24.861 5.360 1.00 0.00 C ATOM 931 C GLU A 59 -4.904 23.565 5.566 1.00 0.00 C ATOM 932 O GLU A 59 -4.697 22.589 4.844 1.00 0.00 O ATOM 933 CB GLU A 59 -5.062 25.982 4.907 1.00 0.00 C ATOM 934 CG GLU A 59 -4.844 27.293 5.644 1.00 0.00 C ATOM 935 CD GLU A 59 -3.586 28.012 5.197 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.530 28.437 4.023 1.00 0.00 O ATOM 937 OE2 GLU A 59 -2.655 28.148 6.019 1.00 0.00 O ATOM 0 H GLU A 59 -3.275 25.073 3.451 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.666 25.135 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.927 26.149 3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.093 25.661 5.052 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.705 27.942 5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.785 27.098 6.715 1.00 0.00 H new ATOM 944 N PRO A 60 -5.811 23.530 6.561 1.00 0.00 N ATOM 945 CA PRO A 60 -6.614 22.343 6.862 1.00 0.00 C ATOM 946 C PRO A 60 -7.196 21.686 5.617 1.00 0.00 C ATOM 947 O PRO A 60 -7.340 20.464 5.573 1.00 0.00 O ATOM 948 CB PRO A 60 -7.738 22.872 7.770 1.00 0.00 C ATOM 949 CG PRO A 60 -7.561 24.357 7.827 1.00 0.00 C ATOM 950 CD PRO A 60 -6.126 24.627 7.484 1.00 0.00 C ATOM 0 HA PRO A 60 -6.008 21.566 7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.718 22.611 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.674 22.433 8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.229 24.855 7.124 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -7.801 24.739 8.819 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.997 25.602 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.487 24.611 8.367 1.00 0.00 H new ATOM 958 N GLN A 61 -7.511 22.477 4.594 1.00 0.00 N ATOM 959 CA GLN A 61 -8.050 21.925 3.360 1.00 0.00 C ATOM 960 C GLN A 61 -6.946 21.218 2.588 1.00 0.00 C ATOM 961 O GLN A 61 -7.119 20.100 2.110 1.00 0.00 O ATOM 962 CB GLN A 61 -8.668 23.032 2.504 1.00 0.00 C ATOM 963 CG GLN A 61 -9.199 22.545 1.166 1.00 0.00 C ATOM 964 CD GLN A 61 -9.620 23.682 0.257 1.00 0.00 C ATOM 965 OE1 GLN A 61 -10.755 24.157 0.322 1.00 0.00 O ATOM 966 NE2 GLN A 61 -8.706 24.127 -0.598 1.00 0.00 N ATOM 0 H GLN A 61 -7.403 23.491 4.597 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.830 21.205 3.607 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.482 23.498 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.919 23.804 2.328 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -8.431 21.952 0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -10.050 21.886 1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.778 23.704 -0.618 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -8.932 24.891 -1.234 1.00 0.00 H new ATOM 975 N GLU A 62 -5.803 21.886 2.487 1.00 0.00 N ATOM 976 CA GLU A 62 -4.651 21.332 1.791 1.00 0.00 C ATOM 977 C GLU A 62 -4.164 20.078 2.508 1.00 0.00 C ATOM 978 O GLU A 62 -3.743 19.107 1.876 1.00 0.00 O ATOM 979 CB GLU A 62 -3.524 22.363 1.720 1.00 0.00 C ATOM 980 CG GLU A 62 -3.733 23.420 0.647 1.00 0.00 C ATOM 981 CD GLU A 62 -2.752 23.288 -0.502 1.00 0.00 C ATOM 982 OE1 GLU A 62 -1.577 22.952 -0.243 1.00 0.00 O ATOM 983 OE2 GLU A 62 -3.158 23.522 -1.659 1.00 0.00 O ATOM 0 H GLU A 62 -5.650 22.815 2.880 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.949 21.071 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.430 22.854 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.582 21.847 1.532 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.750 23.345 0.262 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.633 24.410 1.093 1.00 0.00 H new ATOM 990 N ARG A 63 -4.235 20.111 3.834 1.00 0.00 N ATOM 991 CA ARG A 63 -3.810 18.987 4.656 1.00 0.00 C ATOM 992 C ARG A 63 -4.780 17.820 4.526 1.00 0.00 C ATOM 993 O ARG A 63 -4.379 16.700 4.213 1.00 0.00 O ATOM 994 CB ARG A 63 -3.702 19.417 6.121 1.00 0.00 C ATOM 995 CG ARG A 63 -3.031 18.384 7.012 1.00 0.00 C ATOM 996 CD ARG A 63 -1.762 18.928 7.650 1.00 0.00 C ATOM 997 NE ARG A 63 -2.018 20.122 8.456 1.00 0.00 N ATOM 998 CZ ARG A 63 -1.583 20.290 9.705 1.00 0.00 C ATOM 999 NH1 ARG A 63 -0.844 19.358 10.297 1.00 0.00 N ATOM 1000 NH2 ARG A 63 -1.879 21.403 10.363 1.00 0.00 N ATOM 0 H ARG A 63 -4.585 20.909 4.364 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.831 18.660 4.306 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.142 20.351 6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.701 19.621 6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.725 18.071 7.792 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.791 17.498 6.424 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.313 18.158 8.277 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.038 19.166 6.870 1.00 0.00 H new ATOM 0 HE ARG A 63 -2.564 20.874 8.035 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.604 18.503 9.795 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.517 19.498 11.253 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.438 22.128 9.913 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.547 21.534 11.319 1.00 0.00 H new ATOM 1014 N ASP A 64 -6.057 18.087 4.770 1.00 0.00 N ATOM 1015 CA ASP A 64 -7.080 17.053 4.683 1.00 0.00 C ATOM 1016 C ASP A 64 -7.226 16.532 3.252 1.00 0.00 C ATOM 1017 O ASP A 64 -7.492 15.350 3.036 1.00 0.00 O ATOM 1018 CB ASP A 64 -8.423 17.588 5.208 1.00 0.00 C ATOM 1019 CG ASP A 64 -9.382 18.009 4.106 1.00 0.00 C ATOM 1020 OD1 ASP A 64 -9.874 17.122 3.375 1.00 0.00 O ATOM 1021 OD2 ASP A 64 -9.641 19.223 3.976 1.00 0.00 O ATOM 0 H ASP A 64 -6.408 19.009 5.029 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.769 16.215 5.307 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.898 16.819 5.817 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.235 18.441 5.860 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.067 17.425 2.279 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.201 17.053 0.872 1.00 0.00 C ATOM 1028 C LYS A 65 -6.074 16.133 0.424 1.00 0.00 C ATOM 1029 O LYS A 65 -6.320 15.101 -0.201 1.00 0.00 O ATOM 1030 CB LYS A 65 -7.242 18.301 -0.011 1.00 0.00 C ATOM 1031 CG LYS A 65 -7.680 18.022 -1.439 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.142 18.380 -1.652 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.609 18.008 -3.051 1.00 0.00 C ATOM 1034 NZ LYS A 65 -9.107 18.965 -4.076 1.00 0.00 N ATOM 0 H LYS A 65 -6.846 18.408 2.437 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.140 16.509 0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.922 19.028 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.252 18.758 -0.026 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.060 18.594 -2.129 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.525 16.968 -1.669 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.755 17.864 -0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.283 19.449 -1.493 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.265 17.003 -3.293 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.698 17.987 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.761 18.983 -4.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.043 19.916 -3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.165 18.665 -4.399 1.00 0.00 H new ATOM 1048 N ALA A 66 -4.843 16.494 0.753 1.00 0.00 N ATOM 1049 CA ALA A 66 -3.701 15.670 0.382 1.00 0.00 C ATOM 1050 C ALA A 66 -3.757 14.352 1.139 1.00 0.00 C ATOM 1051 O ALA A 66 -3.690 13.274 0.550 1.00 0.00 O ATOM 1052 CB ALA A 66 -2.396 16.398 0.668 1.00 0.00 C ATOM 0 H ALA A 66 -4.610 17.342 1.270 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.743 15.468 -0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.556 15.764 0.383 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.363 17.324 0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.333 16.628 1.732 1.00 0.00 H new ATOM 1058 N LEU A 67 -3.892 14.462 2.452 1.00 0.00 N ATOM 1059 CA LEU A 67 -3.972 13.290 3.316 1.00 0.00 C ATOM 1060 C LEU A 67 -5.111 12.378 2.871 1.00 0.00 C ATOM 1061 O LEU A 67 -5.022 11.154 2.988 1.00 0.00 O ATOM 1062 CB LEU A 67 -4.170 13.707 4.774 1.00 0.00 C ATOM 1063 CG LEU A 67 -2.878 13.956 5.554 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.107 12.659 5.734 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.021 14.995 4.846 1.00 0.00 C ATOM 0 H LEU A 67 -3.949 15.353 2.945 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.033 12.743 3.237 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.773 14.615 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.741 12.931 5.284 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.138 14.340 6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.191 12.855 6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.720 11.945 6.283 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.856 12.246 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.106 15.160 5.414 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.769 14.639 3.847 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.574 15.931 4.769 1.00 0.00 H new ATOM 1077 N GLN A 68 -6.177 12.979 2.347 1.00 0.00 N ATOM 1078 CA GLN A 68 -7.324 12.214 1.876 1.00 0.00 C ATOM 1079 C GLN A 68 -6.977 11.473 0.593 1.00 0.00 C ATOM 1080 O GLN A 68 -7.200 10.268 0.478 1.00 0.00 O ATOM 1081 CB GLN A 68 -8.523 13.138 1.649 1.00 0.00 C ATOM 1082 CG GLN A 68 -9.743 12.432 1.078 1.00 0.00 C ATOM 1083 CD GLN A 68 -10.872 12.313 2.082 1.00 0.00 C ATOM 1084 OE1 GLN A 68 -11.029 11.281 2.736 1.00 0.00 O ATOM 1085 NE2 GLN A 68 -11.667 13.368 2.209 1.00 0.00 N ATOM 0 H GLN A 68 -6.268 13.989 2.239 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.589 11.482 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.795 13.604 2.596 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.229 13.940 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.096 12.977 0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.456 11.436 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.500 14.203 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.445 13.344 2.869 1.00 0.00 H new ATOM 1094 N GLU A 69 -6.420 12.199 -0.365 1.00 0.00 N ATOM 1095 CA GLU A 69 -6.029 11.607 -1.636 1.00 0.00 C ATOM 1096 C GLU A 69 -4.950 10.557 -1.411 1.00 0.00 C ATOM 1097 O GLU A 69 -4.891 9.547 -2.109 1.00 0.00 O ATOM 1098 CB GLU A 69 -5.522 12.685 -2.598 1.00 0.00 C ATOM 1099 CG GLU A 69 -6.602 13.238 -3.515 1.00 0.00 C ATOM 1100 CD GLU A 69 -6.363 12.890 -4.972 1.00 0.00 C ATOM 1101 OE1 GLU A 69 -5.232 13.105 -5.455 1.00 0.00 O ATOM 1102 OE2 GLU A 69 -7.308 12.405 -5.629 1.00 0.00 O ATOM 0 H GLU A 69 -6.229 13.198 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.902 11.130 -2.081 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.093 13.504 -2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.719 12.269 -3.206 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.571 12.847 -3.206 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.646 14.322 -3.406 1.00 0.00 H new ATOM 1109 N LEU A 70 -4.103 10.800 -0.417 1.00 0.00 N ATOM 1110 CA LEU A 70 -3.035 9.873 -0.084 1.00 0.00 C ATOM 1111 C LEU A 70 -3.620 8.546 0.381 1.00 0.00 C ATOM 1112 O LEU A 70 -3.236 7.480 -0.101 1.00 0.00 O ATOM 1113 CB LEU A 70 -2.145 10.465 1.010 1.00 0.00 C ATOM 1114 CG LEU A 70 -0.651 10.179 0.860 1.00 0.00 C ATOM 1115 CD1 LEU A 70 -0.402 8.688 0.705 1.00 0.00 C ATOM 1116 CD2 LEU A 70 -0.078 10.944 -0.324 1.00 0.00 C ATOM 0 H LEU A 70 -4.138 11.633 0.171 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.430 9.700 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.292 11.545 1.030 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.477 10.080 1.974 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.145 10.516 1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.668 8.507 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.774 8.164 1.585 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.921 8.323 -0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.987 10.728 -0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.590 10.639 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.220 12.014 -0.169 1.00 0.00 H new ATOM 1128 N ARG A 71 -4.551 8.623 1.327 1.00 0.00 N ATOM 1129 CA ARG A 71 -5.191 7.432 1.869 1.00 0.00 C ATOM 1130 C ARG A 71 -5.922 6.639 0.785 1.00 0.00 C ATOM 1131 O ARG A 71 -5.804 5.416 0.720 1.00 0.00 O ATOM 1132 CB ARG A 71 -6.172 7.819 2.977 1.00 0.00 C ATOM 1133 CG ARG A 71 -6.266 6.791 4.093 1.00 0.00 C ATOM 1134 CD ARG A 71 -6.081 7.430 5.460 1.00 0.00 C ATOM 1135 NE ARG A 71 -5.353 6.557 6.379 1.00 0.00 N ATOM 1136 CZ ARG A 71 -5.127 6.852 7.657 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -5.568 7.995 8.170 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -4.459 6.003 8.426 1.00 0.00 N ATOM 0 H ARG A 71 -4.878 9.499 1.734 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.407 6.796 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.869 8.776 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.161 7.962 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.236 6.295 4.051 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -5.508 6.022 3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.542 8.371 5.350 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.057 7.669 5.883 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.998 5.671 6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.083 8.652 7.584 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.392 8.216 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.118 5.123 8.038 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.286 6.230 9.405 1.00 0.00 H new ATOM 1152 N GLN A 72 -6.688 7.333 -0.056 1.00 0.00 N ATOM 1153 CA GLN A 72 -7.438 6.664 -1.116 1.00 0.00 C ATOM 1154 C GLN A 72 -6.503 6.005 -2.129 1.00 0.00 C ATOM 1155 O GLN A 72 -6.776 4.904 -2.613 1.00 0.00 O ATOM 1156 CB GLN A 72 -8.396 7.645 -1.809 1.00 0.00 C ATOM 1157 CG GLN A 72 -7.736 8.572 -2.821 1.00 0.00 C ATOM 1158 CD GLN A 72 -8.118 8.242 -4.252 1.00 0.00 C ATOM 1159 OE1 GLN A 72 -9.158 8.678 -4.746 1.00 0.00 O ATOM 1160 NE2 GLN A 72 -7.275 7.467 -4.926 1.00 0.00 N ATOM 0 H GLN A 72 -6.805 8.346 -0.025 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.033 5.875 -0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.176 7.075 -2.314 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.887 8.251 -1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.018 9.602 -2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.653 8.508 -2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -6.424 7.128 -4.477 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.479 7.211 -5.892 1.00 0.00 H new ATOM 1169 N GLU A 73 -5.395 6.670 -2.440 1.00 0.00 N ATOM 1170 CA GLU A 73 -4.434 6.125 -3.387 1.00 0.00 C ATOM 1171 C GLU A 73 -3.731 4.915 -2.786 1.00 0.00 C ATOM 1172 O GLU A 73 -3.528 3.907 -3.461 1.00 0.00 O ATOM 1173 CB GLU A 73 -3.419 7.192 -3.797 1.00 0.00 C ATOM 1174 CG GLU A 73 -3.759 7.861 -5.120 1.00 0.00 C ATOM 1175 CD GLU A 73 -4.335 9.251 -4.942 1.00 0.00 C ATOM 1176 OE1 GLU A 73 -3.736 10.050 -4.194 1.00 0.00 O ATOM 1177 OE2 GLU A 73 -5.386 9.541 -5.552 1.00 0.00 O ATOM 0 H GLU A 73 -5.143 7.579 -2.053 1.00 0.00 H new ATOM 0 HA GLU A 73 -4.969 5.805 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.363 7.951 -3.017 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.431 6.737 -3.870 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.860 7.921 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.474 7.242 -5.662 1.00 0.00 H new ATOM 1184 N LEU A 74 -3.375 5.014 -1.508 1.00 0.00 N ATOM 1185 CA LEU A 74 -2.714 3.913 -0.818 1.00 0.00 C ATOM 1186 C LEU A 74 -3.609 2.690 -0.821 1.00 0.00 C ATOM 1187 O LEU A 74 -3.147 1.585 -1.067 1.00 0.00 O ATOM 1188 CB LEU A 74 -2.345 4.313 0.611 1.00 0.00 C ATOM 1189 CG LEU A 74 -1.148 5.261 0.722 1.00 0.00 C ATOM 1190 CD1 LEU A 74 -1.038 5.828 2.127 1.00 0.00 C ATOM 1191 CD2 LEU A 74 0.135 4.542 0.334 1.00 0.00 C ATOM 0 H LEU A 74 -3.533 5.841 -0.933 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.791 3.672 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -3.210 4.786 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.130 3.410 1.182 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.303 6.091 0.032 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.181 6.499 2.183 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.947 6.380 2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.908 5.013 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.977 5.229 0.418 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.292 3.693 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.057 4.188 -0.694 1.00 0.00 H new ATOM 1203 N ASN A 75 -4.895 2.887 -0.564 1.00 0.00 N ATOM 1204 CA ASN A 75 -5.834 1.777 -0.575 1.00 0.00 C ATOM 1205 C ASN A 75 -5.922 1.210 -1.989 1.00 0.00 C ATOM 1206 O ASN A 75 -6.066 0.003 -2.183 1.00 0.00 O ATOM 1207 CB ASN A 75 -7.215 2.235 -0.100 1.00 0.00 C ATOM 1208 CG ASN A 75 -7.318 2.283 1.411 1.00 0.00 C ATOM 1209 OD1 ASN A 75 -7.631 1.283 2.057 1.00 0.00 O ATOM 1210 ND2 ASN A 75 -7.055 3.452 1.984 1.00 0.00 N ATOM 0 H ASN A 75 -5.307 3.795 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 75 -5.482 1.003 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.427 3.223 -0.508 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.974 1.558 -0.492 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.109 3.546 2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.799 4.255 1.410 1.00 0.00 H new ATOM 1217 N THR A 76 -5.826 2.104 -2.970 1.00 0.00 N ATOM 1218 CA THR A 76 -5.885 1.718 -4.378 1.00 0.00 C ATOM 1219 C THR A 76 -4.646 0.924 -4.786 1.00 0.00 C ATOM 1220 O THR A 76 -4.747 -0.062 -5.515 1.00 0.00 O ATOM 1221 CB THR A 76 -6.028 2.956 -5.266 1.00 0.00 C ATOM 1222 OG1 THR A 76 -7.110 3.761 -4.833 1.00 0.00 O ATOM 1223 CG2 THR A 76 -6.258 2.622 -6.724 1.00 0.00 C ATOM 0 H THR A 76 -5.706 3.105 -2.815 1.00 0.00 H new ATOM 0 HA THR A 76 -6.759 1.080 -4.512 1.00 0.00 H new ATOM 0 HB THR A 76 -5.081 3.488 -5.177 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.798 4.387 -4.147 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.351 3.544 -7.298 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.416 2.042 -7.102 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.173 2.039 -6.824 1.00 0.00 H new ATOM 1231 N LEU A 77 -3.479 1.351 -4.310 1.00 0.00 N ATOM 1232 CA LEU A 77 -2.227 0.663 -4.623 1.00 0.00 C ATOM 1233 C LEU A 77 -2.110 -0.609 -3.794 1.00 0.00 C ATOM 1234 O LEU A 77 -1.637 -1.640 -4.270 1.00 0.00 O ATOM 1235 CB LEU A 77 -1.031 1.578 -4.352 1.00 0.00 C ATOM 1236 CG LEU A 77 -0.835 2.707 -5.364 1.00 0.00 C ATOM 1237 CD1 LEU A 77 0.370 3.558 -4.989 1.00 0.00 C ATOM 1238 CD2 LEU A 77 -0.673 2.140 -6.767 1.00 0.00 C ATOM 0 H LEU A 77 -3.373 2.167 -3.708 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.230 0.399 -5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.146 2.016 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.126 0.970 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.721 3.342 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.494 4.356 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.216 3.992 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.265 2.936 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.534 2.957 -7.476 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.196 1.483 -6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.565 1.574 -7.036 1.00 0.00 H new ATOM 1250 N ALA A 78 -2.563 -0.518 -2.551 1.00 0.00 N ATOM 1251 CA ALA A 78 -2.539 -1.652 -1.634 1.00 0.00 C ATOM 1252 C ALA A 78 -3.587 -2.692 -2.029 1.00 0.00 C ATOM 1253 O ALA A 78 -3.490 -3.860 -1.655 1.00 0.00 O ATOM 1254 CB ALA A 78 -2.770 -1.179 -0.207 1.00 0.00 C ATOM 0 H ALA A 78 -2.954 0.335 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.557 -2.121 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.750 -2.035 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.986 -0.476 0.075 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.740 -0.687 -0.139 1.00 0.00 H new ATOM 1260 N ASN A 79 -4.602 -2.247 -2.767 1.00 0.00 N ATOM 1261 CA ASN A 79 -5.689 -3.127 -3.189 1.00 0.00 C ATOM 1262 C ASN A 79 -5.166 -4.299 -4.020 1.00 0.00 C ATOM 1263 O ASN A 79 -5.386 -5.457 -3.666 1.00 0.00 O ATOM 1264 CB ASN A 79 -6.725 -2.341 -3.995 1.00 0.00 C ATOM 1265 CG ASN A 79 -8.141 -2.593 -3.518 1.00 0.00 C ATOM 1266 OD1 ASN A 79 -8.648 -3.712 -3.602 1.00 0.00 O ATOM 1267 ND2 ASN A 79 -8.790 -1.550 -3.012 1.00 0.00 N ATOM 0 H ASN A 79 -4.694 -1.282 -3.085 1.00 0.00 H new ATOM 0 HA ASN A 79 -6.159 -3.529 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -6.505 -1.276 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -6.645 -2.613 -5.047 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -9.746 -1.659 -2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.332 -0.640 -2.961 1.00 0.00 H new ATOM 1274 N PRO A 80 -4.468 -4.028 -5.137 1.00 0.00 N ATOM 1275 CA PRO A 80 -3.929 -5.088 -5.993 1.00 0.00 C ATOM 1276 C PRO A 80 -2.950 -5.991 -5.251 1.00 0.00 C ATOM 1277 O PRO A 80 -2.839 -7.179 -5.551 1.00 0.00 O ATOM 1278 CB PRO A 80 -3.212 -4.331 -7.117 1.00 0.00 C ATOM 1279 CG PRO A 80 -3.005 -2.951 -6.591 1.00 0.00 C ATOM 1280 CD PRO A 80 -4.148 -2.689 -5.653 1.00 0.00 C ATOM 0 HA PRO A 80 -4.716 -5.751 -6.351 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.262 -4.804 -7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -3.811 -4.319 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -2.049 -2.870 -6.073 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.991 -2.223 -7.402 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.864 -2.006 -4.853 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -4.998 -2.241 -6.168 1.00 0.00 H new ATOM 1288 N PHE A 81 -2.239 -5.421 -4.281 1.00 0.00 N ATOM 1289 CA PHE A 81 -1.270 -6.177 -3.500 1.00 0.00 C ATOM 1290 C PHE A 81 -1.968 -7.215 -2.624 1.00 0.00 C ATOM 1291 O PHE A 81 -1.525 -8.357 -2.523 1.00 0.00 O ATOM 1292 CB PHE A 81 -0.436 -5.219 -2.639 1.00 0.00 C ATOM 1293 CG PHE A 81 0.519 -5.894 -1.689 1.00 0.00 C ATOM 1294 CD1 PHE A 81 0.859 -7.230 -1.840 1.00 0.00 C ATOM 1295 CD2 PHE A 81 1.078 -5.184 -0.637 1.00 0.00 C ATOM 1296 CE1 PHE A 81 1.730 -7.841 -0.964 1.00 0.00 C ATOM 1297 CE2 PHE A 81 1.952 -5.792 0.242 1.00 0.00 C ATOM 1298 CZ PHE A 81 2.278 -7.122 0.079 1.00 0.00 C ATOM 0 H PHE A 81 -2.317 -4.438 -4.019 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.608 -6.707 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.132 -4.562 -3.297 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -1.113 -4.587 -2.064 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.436 -7.799 -2.655 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.826 -4.142 -0.504 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.984 -8.883 -1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.380 -5.227 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.961 -7.600 0.766 1.00 0.00 H new ATOM 1308 N LEU A 82 -3.065 -6.816 -1.995 1.00 0.00 N ATOM 1309 CA LEU A 82 -3.808 -7.724 -1.134 1.00 0.00 C ATOM 1310 C LEU A 82 -4.244 -8.970 -1.895 1.00 0.00 C ATOM 1311 O LEU A 82 -4.074 -10.088 -1.408 1.00 0.00 O ATOM 1312 CB LEU A 82 -5.017 -7.020 -0.525 1.00 0.00 C ATOM 1313 CG LEU A 82 -4.973 -6.894 0.996 1.00 0.00 C ATOM 1314 CD1 LEU A 82 -4.903 -8.268 1.645 1.00 0.00 C ATOM 1315 CD2 LEU A 82 -3.791 -6.038 1.426 1.00 0.00 C ATOM 0 H LEU A 82 -3.457 -5.877 -2.064 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.145 -8.036 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.098 -6.023 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.919 -7.564 -0.807 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.889 -6.406 1.327 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.872 -8.157 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.782 -8.848 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.004 -8.784 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.775 -5.959 2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.865 -6.498 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.885 -5.043 0.991 1.00 0.00 H new ATOM 1327 N ALA A 83 -4.788 -8.786 -3.093 1.00 0.00 N ATOM 1328 CA ALA A 83 -5.218 -9.916 -3.902 1.00 0.00 C ATOM 1329 C ALA A 83 -4.007 -10.693 -4.397 1.00 0.00 C ATOM 1330 O ALA A 83 -4.037 -11.918 -4.495 1.00 0.00 O ATOM 1331 CB ALA A 83 -6.065 -9.442 -5.074 1.00 0.00 C ATOM 0 H ALA A 83 -4.940 -7.873 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 83 -5.829 -10.576 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.378 -10.301 -5.668 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -6.946 -8.920 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.479 -8.765 -5.696 1.00 0.00 H new ATOM 1337 N LYS A 84 -2.933 -9.965 -4.692 1.00 0.00 N ATOM 1338 CA LYS A 84 -1.702 -10.584 -5.160 1.00 0.00 C ATOM 1339 C LYS A 84 -1.150 -11.518 -4.092 1.00 0.00 C ATOM 1340 O LYS A 84 -0.738 -12.639 -4.387 1.00 0.00 O ATOM 1341 CB LYS A 84 -0.661 -9.517 -5.513 1.00 0.00 C ATOM 1342 CG LYS A 84 0.153 -9.850 -6.753 1.00 0.00 C ATOM 1343 CD LYS A 84 -0.601 -9.499 -8.025 1.00 0.00 C ATOM 1344 CE LYS A 84 -0.639 -7.997 -8.253 1.00 0.00 C ATOM 1345 NZ LYS A 84 -1.092 -7.654 -9.630 1.00 0.00 N ATOM 0 H LYS A 84 -2.893 -8.949 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.924 -11.160 -6.058 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.167 -8.564 -5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 84 0.015 -9.387 -4.668 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.097 -9.306 -6.727 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.397 -10.912 -6.755 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.126 -9.986 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.619 -9.885 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.308 -7.537 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.353 -7.579 -8.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.104 -6.620 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.440 -8.072 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.049 -8.030 -9.784 1.00 0.00 H new ATOM 1359 N TYR A 85 -1.153 -11.052 -2.845 1.00 0.00 N ATOM 1360 CA TYR A 85 -0.662 -11.857 -1.739 1.00 0.00 C ATOM 1361 C TYR A 85 -1.574 -13.054 -1.502 1.00 0.00 C ATOM 1362 O TYR A 85 -1.110 -14.152 -1.197 1.00 0.00 O ATOM 1363 CB TYR A 85 -0.561 -11.020 -0.463 1.00 0.00 C ATOM 1364 CG TYR A 85 0.418 -11.587 0.536 1.00 0.00 C ATOM 1365 CD1 TYR A 85 1.708 -11.931 0.153 1.00 0.00 C ATOM 1366 CD2 TYR A 85 0.050 -11.788 1.860 1.00 0.00 C ATOM 1367 CE1 TYR A 85 2.606 -12.457 1.061 1.00 0.00 C ATOM 1368 CE2 TYR A 85 0.941 -12.315 2.774 1.00 0.00 C ATOM 1369 CZ TYR A 85 2.218 -12.647 2.370 1.00 0.00 C ATOM 1370 OH TYR A 85 3.108 -13.173 3.278 1.00 0.00 O ATOM 0 H TYR A 85 -1.489 -10.126 -2.580 1.00 0.00 H new ATOM 0 HA TYR A 85 0.333 -12.217 -2.001 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.260 -10.005 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -1.546 -10.952 -0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.014 -11.785 -0.872 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -0.948 -11.528 2.180 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.606 -12.718 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.640 -12.467 3.800 1.00 0.00 H new ATOM 0 HH TYR A 85 2.727 -13.118 4.179 1.00 0.00 H new ATOM 1380 N ARG A 86 -2.877 -12.833 -1.649 1.00 0.00 N ATOM 1381 CA ARG A 86 -3.859 -13.894 -1.457 1.00 0.00 C ATOM 1382 C ARG A 86 -3.636 -15.023 -2.458 1.00 0.00 C ATOM 1383 O ARG A 86 -3.539 -16.187 -2.081 1.00 0.00 O ATOM 1384 CB ARG A 86 -5.277 -13.335 -1.598 1.00 0.00 C ATOM 1385 CG ARG A 86 -6.166 -13.626 -0.399 1.00 0.00 C ATOM 1386 CD ARG A 86 -7.593 -13.933 -0.824 1.00 0.00 C ATOM 1387 NE ARG A 86 -8.394 -14.455 0.282 1.00 0.00 N ATOM 1388 CZ ARG A 86 -8.936 -13.693 1.229 1.00 0.00 C ATOM 1389 NH1 ARG A 86 -8.770 -12.377 1.209 1.00 0.00 N ATOM 1390 NH2 ARG A 86 -9.649 -14.249 2.199 1.00 0.00 N ATOM 0 H ARG A 86 -3.277 -11.929 -1.900 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.737 -14.297 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.221 -12.256 -1.745 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.737 -13.755 -2.492 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.762 -14.471 0.158 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -6.162 -12.769 0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.058 -13.027 -1.213 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.581 -14.659 -1.637 1.00 0.00 H new ATOM 0 HE ARG A 86 -8.546 -15.462 0.331 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -8.224 -11.943 0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -9.188 -11.799 1.938 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.782 -15.260 2.219 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.065 -13.666 2.925 1.00 0.00 H new ATOM 1404 N ASP A 87 -3.540 -14.666 -3.733 1.00 0.00 N ATOM 1405 CA ASP A 87 -3.311 -15.653 -4.785 1.00 0.00 C ATOM 1406 C ASP A 87 -1.948 -16.310 -4.601 1.00 0.00 C ATOM 1407 O ASP A 87 -1.783 -17.518 -4.811 1.00 0.00 O ATOM 1408 CB ASP A 87 -3.395 -14.995 -6.164 1.00 0.00 C ATOM 1409 CG ASP A 87 -3.857 -15.962 -7.237 1.00 0.00 C ATOM 1410 OD1 ASP A 87 -5.084 -16.151 -7.376 1.00 0.00 O ATOM 1411 OD2 ASP A 87 -2.993 -16.529 -7.937 1.00 0.00 O ATOM 0 H ASP A 87 -3.617 -13.704 -4.064 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.085 -16.418 -4.717 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.082 -14.150 -6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.417 -14.597 -6.434 1.00 0.00 H new ATOM 1416 N PHE A 88 -0.984 -15.508 -4.170 1.00 0.00 N ATOM 1417 CA PHE A 88 0.363 -15.993 -3.918 1.00 0.00 C ATOM 1418 C PHE A 88 0.335 -17.013 -2.788 1.00 0.00 C ATOM 1419 O PHE A 88 1.009 -18.042 -2.839 1.00 0.00 O ATOM 1420 CB PHE A 88 1.273 -14.817 -3.553 1.00 0.00 C ATOM 1421 CG PHE A 88 2.715 -15.189 -3.364 1.00 0.00 C ATOM 1422 CD1 PHE A 88 3.597 -15.164 -4.431 1.00 0.00 C ATOM 1423 CD2 PHE A 88 3.188 -15.557 -2.115 1.00 0.00 C ATOM 1424 CE1 PHE A 88 4.924 -15.499 -4.256 1.00 0.00 C ATOM 1425 CE2 PHE A 88 4.514 -15.893 -1.936 1.00 0.00 C ATOM 1426 CZ PHE A 88 5.383 -15.863 -3.005 1.00 0.00 C ATOM 0 H PHE A 88 -1.113 -14.513 -3.987 1.00 0.00 H new ATOM 0 HA PHE A 88 0.753 -16.473 -4.816 1.00 0.00 H new ATOM 0 HB2 PHE A 88 1.204 -14.062 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 88 0.905 -14.359 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 88 3.243 -14.879 -5.411 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.512 -15.581 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.603 -15.477 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.871 -16.180 -0.958 1.00 0.00 H new ATOM 0 HZ PHE A 88 6.422 -16.124 -2.865 1.00 0.00 H new ATOM 1436 N LEU A 89 -0.466 -16.713 -1.772 1.00 0.00 N ATOM 1437 CA LEU A 89 -0.617 -17.587 -0.618 1.00 0.00 C ATOM 1438 C LEU A 89 -1.459 -18.813 -0.961 1.00 0.00 C ATOM 1439 O LEU A 89 -1.215 -19.907 -0.451 1.00 0.00 O ATOM 1440 CB LEU A 89 -1.268 -16.820 0.534 1.00 0.00 C ATOM 1441 CG LEU A 89 -0.886 -17.297 1.934 1.00 0.00 C ATOM 1442 CD1 LEU A 89 0.562 -16.946 2.240 1.00 0.00 C ATOM 1443 CD2 LEU A 89 -1.817 -16.687 2.971 1.00 0.00 C ATOM 0 H LEU A 89 -1.026 -15.861 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 89 0.375 -17.926 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.004 -15.766 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.351 -16.888 0.428 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.989 -18.381 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.817 -17.293 3.241 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.215 -17.427 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.694 -15.865 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.534 -17.035 3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.742 -15.600 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.843 -16.988 2.760 1.00 0.00 H new ATOM 1455 N LYS A 90 -2.462 -18.621 -1.817 1.00 0.00 N ATOM 1456 CA LYS A 90 -3.349 -19.711 -2.210 1.00 0.00 C ATOM 1457 C LYS A 90 -2.619 -20.746 -3.061 1.00 0.00 C ATOM 1458 O LYS A 90 -2.971 -21.926 -3.038 1.00 0.00 O ATOM 1459 CB LYS A 90 -4.578 -19.174 -2.950 1.00 0.00 C ATOM 1460 CG LYS A 90 -5.566 -18.429 -2.054 1.00 0.00 C ATOM 1461 CD LYS A 90 -5.911 -19.213 -0.793 1.00 0.00 C ATOM 1462 CE LYS A 90 -6.445 -18.299 0.301 1.00 0.00 C ATOM 1463 NZ LYS A 90 -7.902 -18.032 0.144 1.00 0.00 N ATOM 0 H LYS A 90 -2.679 -17.723 -2.250 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.684 -20.206 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.247 -18.505 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.094 -20.006 -3.429 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.143 -17.464 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.479 -18.226 -2.614 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.655 -19.974 -1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.024 -19.734 -0.433 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -6.263 -18.754 1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -5.900 -17.355 0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.225 -17.406 0.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.074 -17.574 -0.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.426 -18.929 0.187 1.00 0.00 H new ATOM 1477 N SER A 91 -1.577 -20.324 -3.779 1.00 0.00 N ATOM 1478 CA SER A 91 -0.798 -21.268 -4.582 1.00 0.00 C ATOM 1479 C SER A 91 -0.373 -22.432 -3.687 1.00 0.00 C ATOM 1480 O SER A 91 -0.406 -23.598 -4.079 1.00 0.00 O ATOM 1481 CB SER A 91 0.432 -20.582 -5.183 1.00 0.00 C ATOM 1482 OG SER A 91 0.162 -20.104 -6.490 1.00 0.00 O ATOM 0 H SER A 91 -1.258 -19.356 -3.822 1.00 0.00 H new ATOM 0 HA SER A 91 -1.408 -21.636 -5.406 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.738 -19.753 -4.545 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.265 -21.284 -5.214 1.00 0.00 H new ATOM 0 HG SER A 91 0.962 -19.669 -6.851 1.00 0.00 H new ATOM 1488 N HIS A 92 0.014 -22.070 -2.468 1.00 0.00 N ATOM 1489 CA HIS A 92 0.441 -23.041 -1.466 1.00 0.00 C ATOM 1490 C HIS A 92 -0.703 -24.012 -1.180 1.00 0.00 C ATOM 1491 O HIS A 92 -1.812 -23.827 -1.679 1.00 0.00 O ATOM 1492 CB HIS A 92 0.876 -22.333 -0.181 1.00 0.00 C ATOM 1493 CG HIS A 92 2.362 -22.298 0.003 1.00 0.00 C ATOM 1494 ND1 HIS A 92 3.212 -21.653 -0.870 1.00 0.00 N ATOM 1495 CD2 HIS A 92 3.150 -22.838 0.963 1.00 0.00 C ATOM 1496 CE1 HIS A 92 4.458 -21.799 -0.457 1.00 0.00 C ATOM 1497 NE2 HIS A 92 4.448 -22.513 0.655 1.00 0.00 N ATOM 0 H HIS A 92 0.041 -21.102 -2.148 1.00 0.00 H new ATOM 0 HA HIS A 92 1.296 -23.597 -1.850 1.00 0.00 H new ATOM 0 HB2 HIS A 92 0.494 -21.312 -0.190 1.00 0.00 H new ATOM 0 HB3 HIS A 92 0.423 -22.836 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.819 -23.417 1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.336 -21.402 -0.945 1.00 0.00 H new ATOM 0 HE2 HIS A 92 5.271 -22.779 1.196 1.00 0.00 H new ATOM 1506 N GLU A 93 -0.442 -25.049 -0.388 1.00 0.00 N ATOM 1507 CA GLU A 93 -1.474 -26.030 -0.068 1.00 0.00 C ATOM 1508 C GLU A 93 -1.364 -26.494 1.381 1.00 0.00 C ATOM 1509 O GLU A 93 -1.809 -27.588 1.727 1.00 0.00 O ATOM 1510 CB GLU A 93 -1.369 -27.235 -1.008 1.00 0.00 C ATOM 1511 CG GLU A 93 0.060 -27.692 -1.257 1.00 0.00 C ATOM 1512 CD GLU A 93 0.282 -29.147 -0.894 1.00 0.00 C ATOM 1513 OE1 GLU A 93 -0.264 -30.025 -1.595 1.00 0.00 O ATOM 1514 OE2 GLU A 93 1.001 -29.410 0.093 1.00 0.00 O ATOM 0 H GLU A 93 0.466 -25.230 0.040 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.444 -25.551 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.938 -28.064 -0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -1.832 -26.982 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 93 0.307 -27.543 -2.308 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.742 -27.069 -0.678 1.00 0.00 H new ATOM 1521 N LEU A 94 -0.776 -25.646 2.223 1.00 0.00 N ATOM 1522 CA LEU A 94 -0.609 -25.950 3.645 1.00 0.00 C ATOM 1523 C LEU A 94 -0.141 -27.395 3.856 1.00 0.00 C ATOM 1524 O LEU A 94 -0.951 -28.321 3.840 1.00 0.00 O ATOM 1525 CB LEU A 94 -1.926 -25.725 4.391 1.00 0.00 C ATOM 1526 CG LEU A 94 -2.718 -24.487 3.957 1.00 0.00 C ATOM 1527 CD1 LEU A 94 -4.199 -24.813 3.845 1.00 0.00 C ATOM 1528 CD2 LEU A 94 -2.493 -23.340 4.933 1.00 0.00 C ATOM 0 H LEU A 94 -0.405 -24.738 1.944 1.00 0.00 H new ATOM 0 HA LEU A 94 0.155 -25.280 4.040 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.556 -26.605 4.257 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.712 -25.645 5.457 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.361 -24.176 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.745 -23.922 3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.343 -25.602 3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.572 -25.150 4.812 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.063 -22.469 4.609 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.822 -23.639 5.928 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.433 -23.089 4.962 1.00 0.00 H new ATOM 1540 N PRO A 95 1.170 -27.613 4.065 1.00 0.00 N ATOM 1541 CA PRO A 95 1.722 -28.953 4.282 1.00 0.00 C ATOM 1542 C PRO A 95 0.893 -29.770 5.269 1.00 0.00 C ATOM 1543 O PRO A 95 0.848 -29.464 6.461 1.00 0.00 O ATOM 1544 CB PRO A 95 3.131 -28.691 4.844 1.00 0.00 C ATOM 1545 CG PRO A 95 3.229 -27.210 5.041 1.00 0.00 C ATOM 1546 CD PRO A 95 2.219 -26.589 4.118 1.00 0.00 C ATOM 0 HA PRO A 95 1.727 -29.538 3.362 1.00 0.00 H new ATOM 0 HB2 PRO A 95 3.280 -29.220 5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.898 -29.044 4.155 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.024 -26.942 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 95 4.234 -26.854 4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.843 -25.642 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.639 -26.386 3.133 1.00 0.00 H new ATOM 1554 N SER A 96 0.237 -30.811 4.762 1.00 0.00 N ATOM 1555 CA SER A 96 -0.595 -31.677 5.594 1.00 0.00 C ATOM 1556 C SER A 96 -1.546 -30.857 6.462 1.00 0.00 C ATOM 1557 O SER A 96 -1.541 -30.973 7.688 1.00 0.00 O ATOM 1558 CB SER A 96 0.283 -32.569 6.473 1.00 0.00 C ATOM 1559 OG SER A 96 0.784 -33.674 5.740 1.00 0.00 O ATOM 0 H SER A 96 0.266 -31.076 3.777 1.00 0.00 H new ATOM 0 HA SER A 96 -1.193 -32.305 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.114 -31.987 6.872 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.295 -32.926 7.326 1.00 0.00 H new ATOM 0 HG SER A 96 1.343 -34.227 6.324 1.00 0.00 H new ATOM 1565 N HIS A 97 -2.362 -30.028 5.818 1.00 0.00 N ATOM 1566 CA HIS A 97 -3.316 -29.188 6.532 1.00 0.00 C ATOM 1567 C HIS A 97 -4.595 -28.996 5.715 1.00 0.00 C ATOM 1568 O HIS A 97 -4.570 -28.375 4.652 1.00 0.00 O ATOM 1569 CB HIS A 97 -2.689 -27.827 6.846 1.00 0.00 C ATOM 1570 CG HIS A 97 -2.840 -27.416 8.277 1.00 0.00 C ATOM 1571 ND1 HIS A 97 -1.768 -27.233 9.125 1.00 0.00 N ATOM 1572 CD2 HIS A 97 -3.947 -27.151 9.011 1.00 0.00 C ATOM 1573 CE1 HIS A 97 -2.208 -26.875 10.317 1.00 0.00 C ATOM 1574 NE2 HIS A 97 -3.526 -26.818 10.275 1.00 0.00 N ATOM 0 H HIS A 97 -2.381 -29.920 4.804 1.00 0.00 H new ATOM 0 HA HIS A 97 -3.576 -29.688 7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -1.629 -27.858 6.595 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -3.146 -27.070 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.970 -27.194 8.667 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.594 -26.664 11.180 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.133 -26.567 11.055 1.00 0.00 H new ATOM 1583 N PRO A 98 -5.734 -29.524 6.200 1.00 0.00 N ATOM 1584 CA PRO A 98 -7.019 -29.399 5.504 1.00 0.00 C ATOM 1585 C PRO A 98 -7.599 -27.989 5.608 1.00 0.00 C ATOM 1586 O PRO A 98 -8.007 -27.559 6.688 1.00 0.00 O ATOM 1587 CB PRO A 98 -7.912 -30.399 6.237 1.00 0.00 C ATOM 1588 CG PRO A 98 -7.348 -30.467 7.613 1.00 0.00 C ATOM 1589 CD PRO A 98 -5.862 -30.279 7.462 1.00 0.00 C ATOM 0 HA PRO A 98 -6.927 -29.590 4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.950 -30.068 6.250 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -7.895 -31.375 5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -7.777 -29.693 8.249 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -7.575 -31.425 8.081 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -5.440 -29.729 8.303 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -5.340 -31.235 7.412 1.00 0.00 H new ATOM 1597 N PRO A 99 -7.645 -27.245 4.487 1.00 0.00 N ATOM 1598 CA PRO A 99 -8.178 -25.879 4.468 1.00 0.00 C ATOM 1599 C PRO A 99 -9.703 -25.848 4.553 1.00 0.00 C ATOM 1600 O PRO A 99 -10.391 -26.246 3.613 1.00 0.00 O ATOM 1601 CB PRO A 99 -7.710 -25.342 3.117 1.00 0.00 C ATOM 1602 CG PRO A 99 -7.604 -26.549 2.250 1.00 0.00 C ATOM 1603 CD PRO A 99 -7.179 -27.674 3.153 1.00 0.00 C ATOM 0 HA PRO A 99 -7.835 -25.294 5.321 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -8.419 -24.622 2.709 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -6.751 -24.831 3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.558 -26.771 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -6.878 -26.394 1.452 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.632 -28.620 2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.099 -27.818 3.133 1.00 0.00 H new ATOM 1611 N PRO A 100 -10.258 -25.370 5.683 1.00 0.00 N ATOM 1612 CA PRO A 100 -11.708 -25.291 5.875 1.00 0.00 C ATOM 1613 C PRO A 100 -12.333 -24.137 5.098 1.00 0.00 C ATOM 1614 O PRO A 100 -11.643 -23.413 4.380 1.00 0.00 O ATOM 1615 CB PRO A 100 -11.849 -25.059 7.378 1.00 0.00 C ATOM 1616 CG PRO A 100 -10.602 -24.343 7.764 1.00 0.00 C ATOM 1617 CD PRO A 100 -9.518 -24.869 6.859 1.00 0.00 C ATOM 0 HA PRO A 100 -12.218 -26.185 5.516 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -12.734 -24.466 7.607 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -11.949 -26.001 7.917 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.719 -23.266 7.646 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.357 -24.524 8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -8.811 -24.086 6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -8.945 -25.662 7.339 1.00 0.00 H new ATOM 1625 N SER A 101 -13.643 -23.969 5.251 1.00 0.00 N ATOM 1626 CA SER A 101 -14.364 -22.901 4.566 1.00 0.00 C ATOM 1627 C SER A 101 -14.128 -22.957 3.059 1.00 0.00 C ATOM 1628 O SER A 101 -13.499 -22.069 2.484 1.00 0.00 O ATOM 1629 CB SER A 101 -13.933 -21.538 5.113 1.00 0.00 C ATOM 1630 OG SER A 101 -14.561 -21.264 6.354 1.00 0.00 O ATOM 0 H SER A 101 -14.227 -24.559 5.843 1.00 0.00 H new ATOM 0 HA SER A 101 -15.429 -23.041 4.750 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.850 -21.519 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 101 -14.185 -20.758 4.394 1.00 0.00 H new ATOM 0 HG SER A 101 -14.268 -20.389 6.683 1.00 0.00 H new ATOM 1636 N SER A 102 -14.638 -24.008 2.425 1.00 0.00 N ATOM 1637 CA SER A 102 -14.484 -24.182 0.984 1.00 0.00 C ATOM 1638 C SER A 102 -13.010 -24.217 0.592 1.00 0.00 C ATOM 1639 O SER A 102 -12.450 -23.139 0.303 1.00 0.00 O ATOM 1640 CB SER A 102 -15.196 -23.053 0.236 1.00 0.00 C ATOM 1641 OG SER A 102 -15.328 -23.358 -1.142 1.00 0.00 O ATOM 1642 OXT SER A 102 -12.429 -25.323 0.578 1.00 0.00 O ATOM 0 H SER A 102 -15.162 -24.752 2.886 1.00 0.00 H new ATOM 0 HA SER A 102 -14.936 -25.135 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 102 -16.182 -22.889 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.637 -22.125 0.354 1.00 0.00 H new ATOM 0 HG SER A 102 -15.787 -22.622 -1.597 1.00 0.00 H new TER 1648 SER A 102