USER MOD reduce.3.24.130724 H: found=0, std=0, add=1007, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1001 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 111 HIS : no HD1:sc= -7.3! C(o=-7.3!,f=-5.8!) USER MOD Set 1.2: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 50 MET CE :methyl -117:sc= -0.997 (180deg=-0.497) USER MOD Set 2.2: A 101 HIS : no HD1:sc= -0.0788 K(o=-1.1,f=-1.8) USER MOD Set 3.1: A 33 SER OG : rot 161:sc= 0.502 USER MOD Set 3.2: A 40 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0567 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 57:sc= 1.33 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.79) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -2! K(o=-2!,f=-0.73) USER MOD Single : A 19 GLN : amide:sc= -0.192 K(o=-0.19,f=-2.4!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.46) USER MOD Single : A 34 LYS NZ :NH3+ -131:sc= -0.475 (180deg=-2.45!) USER MOD Single : A 35 THR OG1 : rot -15:sc= 0.266 USER MOD Single : A 36 SER OG : rot 45:sc= 0.185 USER MOD Single : A 37 CYS SG : rot -131:sc= 0.0279 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -148:sc= -0.572 (180deg=-2.4!) USER MOD Single : A 44 LYS NZ :NH3+ 149:sc= -0.29 (180deg=-1.27!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.024) USER MOD Single : A 51 ASN : amide:sc=-0.00846 K(o=-0.0085,f=-0.91) USER MOD Single : A 53 ASN : amide:sc= -0.0234 X(o=-0.023,f=-0.35) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -135:sc= -1.04 (180deg=-1.3) USER MOD Single : A 76 THR OG1 : rot 176:sc= 0.0248 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.555 USER MOD Single : A 87 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.46!) USER MOD Single : A 89 THR OG1 : rot 9:sc= 0.498 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0187 USER MOD Single : A 97 THR OG1 : rot 82:sc= 0.0691 USER MOD Single : A 98 HIS : no HD1:sc= -3.1! C(o=-3.1!,f=-6!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.247 K(o=-0.25,f=-1.6!) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0011) USER MOD Single : A 118 SER OG : rot 180:sc= -0.0585 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ 165:sc= -0.0109 (180deg=-0.169) USER MOD Single : A 124 GLN : amide:sc= -2.18 K(o=-2.2,f=-0.83) USER MOD Single : A 125 SER OG : rot 106:sc= 0.988 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.776 5.056 -13.581 1.00 0.00 N ATOM 2 CA GLY A 1 11.141 4.966 -14.065 1.00 0.00 C ATOM 3 C GLY A 1 11.219 4.922 -15.578 1.00 0.00 C ATOM 4 O GLY A 1 10.249 5.243 -16.265 1.00 0.00 O ATOM 0 H1 GLY A 1 9.638 5.967 -13.098 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.118 4.987 -14.383 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.592 4.279 -12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.710 5.821 -13.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.611 4.072 -13.654 1.00 0.00 H new ATOM 8 N SER A 2 12.376 4.526 -16.098 1.00 0.00 N ATOM 9 CA SER A 2 12.578 4.446 -17.540 1.00 0.00 C ATOM 10 C SER A 2 13.379 3.201 -17.909 1.00 0.00 C ATOM 11 O SER A 2 14.510 3.021 -17.458 1.00 0.00 O ATOM 12 CB SER A 2 13.298 5.698 -18.045 1.00 0.00 C ATOM 13 OG SER A 2 12.958 5.974 -19.393 1.00 0.00 O ATOM 0 H SER A 2 13.188 4.256 -15.543 1.00 0.00 H new ATOM 0 HA SER A 2 11.600 4.381 -18.016 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.035 6.550 -17.419 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.376 5.561 -17.959 1.00 0.00 H new ATOM 0 HG SER A 2 13.430 6.780 -19.691 1.00 0.00 H new ATOM 19 N SER A 3 12.783 2.344 -18.732 1.00 0.00 N ATOM 20 CA SER A 3 13.438 1.114 -19.159 1.00 0.00 C ATOM 21 C SER A 3 12.608 0.396 -20.220 1.00 0.00 C ATOM 22 O SER A 3 11.382 0.490 -20.233 1.00 0.00 O ATOM 23 CB SER A 3 13.665 0.189 -17.961 1.00 0.00 C ATOM 24 OG SER A 3 14.917 0.446 -17.349 1.00 0.00 O ATOM 0 H SER A 3 11.848 2.479 -19.116 1.00 0.00 H new ATOM 0 HA SER A 3 14.402 1.377 -19.594 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.865 0.328 -17.233 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.622 -0.850 -18.287 1.00 0.00 H new ATOM 0 HG SER A 3 14.964 1.388 -17.083 1.00 0.00 H new ATOM 30 N GLY A 4 13.288 -0.322 -21.109 1.00 0.00 N ATOM 31 CA GLY A 4 12.599 -1.045 -22.161 1.00 0.00 C ATOM 32 C GLY A 4 13.328 -2.309 -22.569 1.00 0.00 C ATOM 33 O GLY A 4 13.529 -2.563 -23.757 1.00 0.00 O ATOM 0 H GLY A 4 14.304 -0.416 -21.119 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.595 -1.301 -21.824 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.488 -0.397 -23.030 1.00 0.00 H new ATOM 37 N SER A 5 13.727 -3.105 -21.582 1.00 0.00 N ATOM 38 CA SER A 5 14.443 -4.348 -21.844 1.00 0.00 C ATOM 39 C SER A 5 13.883 -5.487 -20.998 1.00 0.00 C ATOM 40 O SER A 5 13.642 -5.325 -19.801 1.00 0.00 O ATOM 41 CB SER A 5 15.936 -4.171 -21.559 1.00 0.00 C ATOM 42 OG SER A 5 16.149 -3.667 -20.252 1.00 0.00 O ATOM 0 H SER A 5 13.567 -2.911 -20.594 1.00 0.00 H new ATOM 0 HA SER A 5 14.309 -4.601 -22.896 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.447 -5.127 -21.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.371 -3.490 -22.290 1.00 0.00 H new ATOM 0 HG SER A 5 17.111 -3.564 -20.094 1.00 0.00 H new ATOM 48 N SER A 6 13.679 -6.639 -21.628 1.00 0.00 N ATOM 49 CA SER A 6 13.144 -7.805 -20.934 1.00 0.00 C ATOM 50 C SER A 6 13.739 -7.926 -19.535 1.00 0.00 C ATOM 51 O SER A 6 13.017 -7.934 -18.539 1.00 0.00 O ATOM 52 CB SER A 6 13.430 -9.077 -21.734 1.00 0.00 C ATOM 53 OG SER A 6 12.589 -9.165 -22.871 1.00 0.00 O ATOM 0 H SER A 6 13.876 -6.790 -22.617 1.00 0.00 H new ATOM 0 HA SER A 6 12.065 -7.678 -20.841 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.474 -9.086 -22.048 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.281 -9.951 -21.099 1.00 0.00 H new ATOM 0 HG SER A 6 12.793 -9.986 -23.366 1.00 0.00 H new ATOM 59 N GLY A 7 15.064 -8.019 -19.468 1.00 0.00 N ATOM 60 CA GLY A 7 15.736 -8.139 -18.188 1.00 0.00 C ATOM 61 C GLY A 7 16.199 -9.554 -17.906 1.00 0.00 C ATOM 62 O GLY A 7 15.877 -10.480 -18.650 1.00 0.00 O ATOM 0 H GLY A 7 15.684 -8.013 -20.278 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.595 -7.468 -18.168 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.061 -7.816 -17.395 1.00 0.00 H new ATOM 66 N SER A 8 16.959 -9.723 -16.828 1.00 0.00 N ATOM 67 CA SER A 8 17.472 -11.035 -16.452 1.00 0.00 C ATOM 68 C SER A 8 17.307 -11.274 -14.955 1.00 0.00 C ATOM 69 O SER A 8 17.072 -10.340 -14.187 1.00 0.00 O ATOM 70 CB SER A 8 18.947 -11.160 -16.841 1.00 0.00 C ATOM 71 OG SER A 8 19.758 -10.314 -16.044 1.00 0.00 O ATOM 0 H SER A 8 17.233 -8.967 -16.200 1.00 0.00 H new ATOM 0 HA SER A 8 16.897 -11.790 -16.988 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.271 -12.194 -16.725 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.072 -10.903 -17.893 1.00 0.00 H new ATOM 0 HG SER A 8 20.696 -10.414 -16.311 1.00 0.00 H new ATOM 77 N LEU A 9 17.432 -12.532 -14.546 1.00 0.00 N ATOM 78 CA LEU A 9 17.298 -12.897 -13.140 1.00 0.00 C ATOM 79 C LEU A 9 18.274 -12.104 -12.276 1.00 0.00 C ATOM 80 O LEU A 9 19.094 -11.344 -12.788 1.00 0.00 O ATOM 81 CB LEU A 9 17.537 -14.396 -12.956 1.00 0.00 C ATOM 82 CG LEU A 9 18.796 -14.960 -13.615 1.00 0.00 C ATOM 83 CD1 LEU A 9 18.505 -15.387 -15.046 1.00 0.00 C ATOM 84 CD2 LEU A 9 19.921 -13.936 -13.581 1.00 0.00 C ATOM 0 H LEU A 9 17.626 -13.317 -15.168 1.00 0.00 H new ATOM 0 HA LEU A 9 16.283 -12.657 -12.823 1.00 0.00 H new ATOM 0 HB2 LEU A 9 17.584 -14.608 -11.888 1.00 0.00 H new ATOM 0 HB3 LEU A 9 16.674 -14.932 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 9 19.114 -15.838 -13.053 1.00 0.00 H new ATOM 0 HD11 LEU A 9 19.413 -15.786 -15.499 1.00 0.00 H new ATOM 0 HD12 LEU A 9 17.732 -16.155 -15.046 1.00 0.00 H new ATOM 0 HD13 LEU A 9 18.161 -14.526 -15.620 1.00 0.00 H new ATOM 0 HD21 LEU A 9 20.809 -14.355 -14.054 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.613 -13.039 -14.118 1.00 0.00 H new ATOM 0 HD23 LEU A 9 20.148 -13.680 -12.546 1.00 0.00 H new ATOM 96 N GLU A 10 18.180 -12.291 -10.963 1.00 0.00 N ATOM 97 CA GLU A 10 19.056 -11.594 -10.029 1.00 0.00 C ATOM 98 C GLU A 10 18.928 -12.177 -8.624 1.00 0.00 C ATOM 99 O GLU A 10 17.824 -12.444 -8.151 1.00 0.00 O ATOM 100 CB GLU A 10 18.728 -10.100 -10.005 1.00 0.00 C ATOM 101 CG GLU A 10 17.375 -9.784 -9.390 1.00 0.00 C ATOM 102 CD GLU A 10 17.123 -8.293 -9.269 1.00 0.00 C ATOM 103 OE1 GLU A 10 17.736 -7.524 -10.038 1.00 0.00 O ATOM 104 OE2 GLU A 10 16.313 -7.896 -8.405 1.00 0.00 O ATOM 0 H GLU A 10 17.507 -12.918 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 10 20.084 -11.727 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 10 19.503 -9.575 -9.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.753 -9.715 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.590 -10.233 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU A 10 17.314 -10.240 -8.402 1.00 0.00 H new ATOM 111 N ASN A 11 20.065 -12.372 -7.965 1.00 0.00 N ATOM 112 CA ASN A 11 20.080 -12.924 -6.615 1.00 0.00 C ATOM 113 C ASN A 11 19.292 -12.038 -5.655 1.00 0.00 C ATOM 114 O ASN A 11 19.254 -10.816 -5.811 1.00 0.00 O ATOM 115 CB ASN A 11 21.520 -13.076 -6.120 1.00 0.00 C ATOM 116 CG ASN A 11 22.308 -11.785 -6.227 1.00 0.00 C ATOM 117 OD1 ASN A 11 22.079 -10.841 -5.471 1.00 0.00 O ATOM 118 ND2 ASN A 11 23.242 -11.738 -7.170 1.00 0.00 N ATOM 0 H ASN A 11 20.987 -12.156 -8.343 1.00 0.00 H new ATOM 0 HA ASN A 11 19.607 -13.906 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 11 21.511 -13.408 -5.082 1.00 0.00 H new ATOM 0 HB3 ASN A 11 22.020 -13.853 -6.699 1.00 0.00 H new ATOM 0 HD21 ASN A 11 23.804 -10.895 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 11 23.398 -12.545 -7.774 1.00 0.00 H new ATOM 125 N LEU A 12 18.666 -12.660 -4.663 1.00 0.00 N ATOM 126 CA LEU A 12 17.878 -11.928 -3.677 1.00 0.00 C ATOM 127 C LEU A 12 18.759 -10.974 -2.876 1.00 0.00 C ATOM 128 O LEU A 12 19.358 -11.361 -1.873 1.00 0.00 O ATOM 129 CB LEU A 12 17.174 -12.904 -2.732 1.00 0.00 C ATOM 130 CG LEU A 12 15.859 -13.498 -3.240 1.00 0.00 C ATOM 131 CD1 LEU A 12 15.378 -14.601 -2.310 1.00 0.00 C ATOM 132 CD2 LEU A 12 14.801 -12.413 -3.376 1.00 0.00 C ATOM 0 H LEU A 12 18.688 -13.670 -4.519 1.00 0.00 H new ATOM 0 HA LEU A 12 17.129 -11.342 -4.209 1.00 0.00 H new ATOM 0 HB2 LEU A 12 17.859 -13.723 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 12 16.978 -12.390 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 12 16.034 -13.932 -4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 12 14.441 -15.012 -2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 12 16.128 -15.390 -2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 12 15.219 -14.192 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.872 -12.854 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.628 -11.950 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 12 15.144 -11.657 -4.082 1.00 0.00 H new ATOM 144 N ALA A 13 18.831 -9.726 -3.326 1.00 0.00 N ATOM 145 CA ALA A 13 19.635 -8.715 -2.649 1.00 0.00 C ATOM 146 C ALA A 13 18.826 -8.002 -1.571 1.00 0.00 C ATOM 147 O ALA A 13 19.139 -6.874 -1.189 1.00 0.00 O ATOM 148 CB ALA A 13 20.177 -7.711 -3.656 1.00 0.00 C ATOM 0 H ALA A 13 18.343 -9.390 -4.156 1.00 0.00 H new ATOM 0 HA ALA A 13 20.473 -9.216 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 13 20.775 -6.962 -3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 13 20.798 -8.228 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 13 19.347 -7.223 -4.166 1.00 0.00 H new ATOM 154 N THR A 14 17.783 -8.667 -1.083 1.00 0.00 N ATOM 155 CA THR A 14 16.929 -8.096 -0.049 1.00 0.00 C ATOM 156 C THR A 14 16.670 -6.616 -0.306 1.00 0.00 C ATOM 157 O THR A 14 16.836 -5.784 0.585 1.00 0.00 O ATOM 158 CB THR A 14 17.551 -8.262 1.350 1.00 0.00 C ATOM 159 OG1 THR A 14 18.261 -9.504 1.426 1.00 0.00 O ATOM 160 CG2 THR A 14 16.479 -8.218 2.428 1.00 0.00 C ATOM 0 H THR A 14 17.510 -9.601 -1.387 1.00 0.00 H new ATOM 0 HA THR A 14 15.985 -8.639 -0.084 1.00 0.00 H new ATOM 0 HB THR A 14 18.244 -7.437 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 14 18.655 -9.601 2.318 1.00 0.00 H new ATOM 0 HG21 THR A 14 16.943 -8.337 3.407 1.00 0.00 H new ATOM 0 HG22 THR A 14 15.960 -7.260 2.386 1.00 0.00 H new ATOM 0 HG23 THR A 14 15.765 -9.025 2.264 1.00 0.00 H new ATOM 168 N ALA A 15 16.262 -6.295 -1.529 1.00 0.00 N ATOM 169 CA ALA A 15 15.977 -4.914 -1.901 1.00 0.00 C ATOM 170 C ALA A 15 14.834 -4.346 -1.068 1.00 0.00 C ATOM 171 O ALA A 15 14.084 -5.075 -0.420 1.00 0.00 O ATOM 172 CB ALA A 15 15.648 -4.825 -3.384 1.00 0.00 C ATOM 0 H ALA A 15 16.121 -6.972 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 15 16.867 -4.318 -1.701 1.00 0.00 H new ATOM 0 HB1 ALA A 15 15.437 -3.789 -3.648 1.00 0.00 H new ATOM 0 HB2 ALA A 15 16.497 -5.183 -3.967 1.00 0.00 H new ATOM 0 HB3 ALA A 15 14.774 -5.440 -3.600 1.00 0.00 H new ATOM 178 N PRO A 16 14.696 -3.012 -1.084 1.00 0.00 N ATOM 179 CA PRO A 16 13.646 -2.315 -0.334 1.00 0.00 C ATOM 180 C PRO A 16 12.258 -2.564 -0.915 1.00 0.00 C ATOM 181 O PRO A 16 11.293 -2.769 -0.178 1.00 0.00 O ATOM 182 CB PRO A 16 14.028 -0.840 -0.475 1.00 0.00 C ATOM 183 CG PRO A 16 14.819 -0.772 -1.736 1.00 0.00 C ATOM 184 CD PRO A 16 15.554 -2.080 -1.835 1.00 0.00 C ATOM 0 HA PRO A 16 13.588 -2.657 0.699 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.143 -0.205 -0.528 1.00 0.00 H new ATOM 0 HB3 PRO A 16 14.614 -0.500 0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.168 -0.624 -2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 16 15.515 0.066 -1.715 1.00 0.00 H new ATOM 0 HD2 PRO A 16 15.677 -2.394 -2.871 1.00 0.00 H new ATOM 0 HD3 PRO A 16 16.552 -2.014 -1.401 1.00 0.00 H new ATOM 192 N VAL A 17 12.163 -2.544 -2.241 1.00 0.00 N ATOM 193 CA VAL A 17 10.893 -2.769 -2.920 1.00 0.00 C ATOM 194 C VAL A 17 10.272 -4.096 -2.499 1.00 0.00 C ATOM 195 O VAL A 17 9.057 -4.200 -2.336 1.00 0.00 O ATOM 196 CB VAL A 17 11.066 -2.758 -4.451 1.00 0.00 C ATOM 197 CG1 VAL A 17 11.780 -4.018 -4.916 1.00 0.00 C ATOM 198 CG2 VAL A 17 9.716 -2.616 -5.138 1.00 0.00 C ATOM 0 H VAL A 17 12.951 -2.374 -2.866 1.00 0.00 H new ATOM 0 HA VAL A 17 10.230 -1.953 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 17 11.679 -1.899 -4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 17 11.893 -3.993 -6.000 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.764 -4.072 -4.449 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.195 -4.893 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.857 -2.610 -6.219 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.076 -3.454 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.246 -1.682 -4.828 1.00 0.00 H new ATOM 208 N ASN A 18 11.115 -5.109 -2.324 1.00 0.00 N ATOM 209 CA ASN A 18 10.648 -6.430 -1.922 1.00 0.00 C ATOM 210 C ASN A 18 9.945 -6.370 -0.569 1.00 0.00 C ATOM 211 O ASN A 18 8.826 -6.862 -0.418 1.00 0.00 O ATOM 212 CB ASN A 18 11.822 -7.410 -1.856 1.00 0.00 C ATOM 213 CG ASN A 18 12.443 -7.660 -3.216 1.00 0.00 C ATOM 214 OD1 ASN A 18 11.753 -8.018 -4.170 1.00 0.00 O ATOM 215 ND2 ASN A 18 13.755 -7.471 -3.311 1.00 0.00 N ATOM 0 H ASN A 18 12.124 -5.040 -2.454 1.00 0.00 H new ATOM 0 HA ASN A 18 9.933 -6.778 -2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.581 -7.018 -1.179 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.479 -8.356 -1.437 1.00 0.00 H new ATOM 0 HD21 ASN A 18 14.229 -7.623 -4.201 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.288 -7.174 -2.494 1.00 0.00 H new ATOM 222 N GLN A 19 10.608 -5.765 0.411 1.00 0.00 N ATOM 223 CA GLN A 19 10.046 -5.641 1.750 1.00 0.00 C ATOM 224 C GLN A 19 8.609 -5.134 1.693 1.00 0.00 C ATOM 225 O GLN A 19 7.768 -5.530 2.501 1.00 0.00 O ATOM 226 CB GLN A 19 10.899 -4.696 2.598 1.00 0.00 C ATOM 227 CG GLN A 19 12.331 -5.171 2.786 1.00 0.00 C ATOM 228 CD GLN A 19 12.958 -4.646 4.062 1.00 0.00 C ATOM 229 OE1 GLN A 19 12.263 -4.158 4.954 1.00 0.00 O ATOM 230 NE2 GLN A 19 14.279 -4.744 4.157 1.00 0.00 N ATOM 0 H GLN A 19 11.535 -5.353 0.303 1.00 0.00 H new ATOM 0 HA GLN A 19 10.045 -6.630 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.910 -3.712 2.130 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.433 -4.579 3.576 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.349 -6.261 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.930 -4.852 1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 19 14.816 -5.155 3.394 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.756 -4.408 4.993 1.00 0.00 H new ATOM 239 N ILE A 20 8.334 -4.257 0.733 1.00 0.00 N ATOM 240 CA ILE A 20 6.998 -3.697 0.571 1.00 0.00 C ATOM 241 C ILE A 20 6.041 -4.723 -0.026 1.00 0.00 C ATOM 242 O ILE A 20 4.962 -4.967 0.513 1.00 0.00 O ATOM 243 CB ILE A 20 7.017 -2.446 -0.327 1.00 0.00 C ATOM 244 CG1 ILE A 20 7.911 -1.366 0.285 1.00 0.00 C ATOM 245 CG2 ILE A 20 5.604 -1.920 -0.532 1.00 0.00 C ATOM 246 CD1 ILE A 20 8.567 -0.471 -0.743 1.00 0.00 C ATOM 0 H ILE A 20 9.018 -3.919 0.056 1.00 0.00 H new ATOM 0 HA ILE A 20 6.651 -3.415 1.565 1.00 0.00 H new ATOM 0 HB ILE A 20 7.426 -2.720 -1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.315 -0.753 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 20 8.685 -1.844 0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.634 -1.036 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.995 -2.689 -1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.170 -1.658 0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.186 0.271 -0.238 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.190 -1.073 -1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.799 0.035 -1.328 1.00 0.00 H new ATOM 258 N GLN A 21 6.445 -5.323 -1.141 1.00 0.00 N ATOM 259 CA GLN A 21 5.623 -6.324 -1.811 1.00 0.00 C ATOM 260 C GLN A 21 4.978 -7.265 -0.798 1.00 0.00 C ATOM 261 O GLN A 21 3.829 -7.674 -0.962 1.00 0.00 O ATOM 262 CB GLN A 21 6.467 -7.126 -2.804 1.00 0.00 C ATOM 263 CG GLN A 21 7.023 -6.289 -3.944 1.00 0.00 C ATOM 264 CD GLN A 21 7.234 -7.095 -5.211 1.00 0.00 C ATOM 265 OE1 GLN A 21 7.645 -8.255 -5.161 1.00 0.00 O ATOM 266 NE2 GLN A 21 6.953 -6.484 -6.355 1.00 0.00 N ATOM 0 H GLN A 21 7.336 -5.133 -1.599 1.00 0.00 H new ATOM 0 HA GLN A 21 4.832 -5.805 -2.353 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.294 -7.594 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.859 -7.931 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.340 -5.465 -4.152 1.00 0.00 H new ATOM 0 HG3 GLN A 21 7.971 -5.847 -3.637 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.615 -5.522 -6.350 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.075 -6.977 -7.240 1.00 0.00 H new ATOM 275 N GLU A 22 5.726 -7.603 0.248 1.00 0.00 N ATOM 276 CA GLU A 22 5.225 -8.497 1.286 1.00 0.00 C ATOM 277 C GLU A 22 4.155 -7.808 2.127 1.00 0.00 C ATOM 278 O GLU A 22 3.172 -8.429 2.533 1.00 0.00 O ATOM 279 CB GLU A 22 6.373 -8.964 2.184 1.00 0.00 C ATOM 280 CG GLU A 22 7.476 -9.691 1.433 1.00 0.00 C ATOM 281 CD GLU A 22 8.178 -10.728 2.288 1.00 0.00 C ATOM 282 OE1 GLU A 22 7.549 -11.238 3.239 1.00 0.00 O ATOM 283 OE2 GLU A 22 9.356 -11.030 2.006 1.00 0.00 O ATOM 0 H GLU A 22 6.679 -7.272 0.399 1.00 0.00 H new ATOM 0 HA GLU A 22 4.778 -9.364 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.800 -8.100 2.693 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.975 -9.623 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 22 7.053 -10.177 0.554 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.207 -8.965 1.076 1.00 0.00 H new ATOM 290 N THR A 23 4.353 -6.519 2.386 1.00 0.00 N ATOM 291 CA THR A 23 3.407 -5.745 3.180 1.00 0.00 C ATOM 292 C THR A 23 2.026 -5.733 2.533 1.00 0.00 C ATOM 293 O THR A 23 1.020 -6.001 3.190 1.00 0.00 O ATOM 294 CB THR A 23 3.886 -4.293 3.368 1.00 0.00 C ATOM 295 OG1 THR A 23 5.231 -4.281 3.860 1.00 0.00 O ATOM 296 CG2 THR A 23 2.980 -3.544 4.334 1.00 0.00 C ATOM 0 H THR A 23 5.160 -5.989 2.057 1.00 0.00 H new ATOM 0 HA THR A 23 3.344 -6.228 4.155 1.00 0.00 H new ATOM 0 HB THR A 23 3.849 -3.793 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 23 5.529 -3.355 3.975 1.00 0.00 H new ATOM 0 HG21 THR A 23 3.339 -2.521 4.450 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.963 -3.530 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.988 -4.044 5.303 1.00 0.00 H new ATOM 304 N ILE A 24 1.986 -5.421 1.242 1.00 0.00 N ATOM 305 CA ILE A 24 0.729 -5.375 0.506 1.00 0.00 C ATOM 306 C ILE A 24 0.037 -6.734 0.516 1.00 0.00 C ATOM 307 O ILE A 24 -1.191 -6.817 0.508 1.00 0.00 O ATOM 308 CB ILE A 24 0.946 -4.933 -0.953 1.00 0.00 C ATOM 309 CG1 ILE A 24 1.945 -5.861 -1.647 1.00 0.00 C ATOM 310 CG2 ILE A 24 1.431 -3.492 -1.003 1.00 0.00 C ATOM 311 CD1 ILE A 24 1.985 -5.691 -3.149 1.00 0.00 C ATOM 0 H ILE A 24 2.810 -5.196 0.684 1.00 0.00 H new ATOM 0 HA ILE A 24 0.096 -4.643 1.008 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.006 -4.994 -1.481 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.940 -5.678 -1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.691 -6.895 -1.413 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.580 -3.194 -2.041 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.688 -2.842 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.373 -3.406 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.715 -6.380 -3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.000 -5.903 -3.566 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.269 -4.667 -3.392 1.00 0.00 H new ATOM 323 N SER A 25 0.834 -7.798 0.536 1.00 0.00 N ATOM 324 CA SER A 25 0.299 -9.154 0.545 1.00 0.00 C ATOM 325 C SER A 25 -0.472 -9.425 1.834 1.00 0.00 C ATOM 326 O SER A 25 -1.664 -9.732 1.804 1.00 0.00 O ATOM 327 CB SER A 25 1.430 -10.173 0.390 1.00 0.00 C ATOM 328 OG SER A 25 0.960 -11.493 0.598 1.00 0.00 O ATOM 0 H SER A 25 1.853 -7.747 0.546 1.00 0.00 H new ATOM 0 HA SER A 25 -0.387 -9.253 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.863 -10.091 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.224 -9.950 1.102 1.00 0.00 H new ATOM 0 HG SER A 25 1.702 -12.125 0.492 1.00 0.00 H new ATOM 334 N ASP A 26 0.218 -9.310 2.963 1.00 0.00 N ATOM 335 CA ASP A 26 -0.401 -9.541 4.263 1.00 0.00 C ATOM 336 C ASP A 26 -1.485 -8.504 4.542 1.00 0.00 C ATOM 337 O ASP A 26 -2.638 -8.851 4.794 1.00 0.00 O ATOM 338 CB ASP A 26 0.655 -9.502 5.369 1.00 0.00 C ATOM 339 CG ASP A 26 0.076 -9.094 6.709 1.00 0.00 C ATOM 340 OD1 ASP A 26 -0.123 -7.881 6.924 1.00 0.00 O ATOM 341 OD2 ASP A 26 -0.177 -9.989 7.543 1.00 0.00 O ATOM 0 H ASP A 26 1.206 -9.058 3.005 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.863 -10.528 4.247 1.00 0.00 H new ATOM 0 HB2 ASP A 26 1.117 -10.485 5.461 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.444 -8.803 5.090 1.00 0.00 H new ATOM 346 N ASN A 27 -1.105 -7.232 4.494 1.00 0.00 N ATOM 347 CA ASN A 27 -2.045 -6.144 4.743 1.00 0.00 C ATOM 348 C ASN A 27 -2.849 -5.822 3.487 1.00 0.00 C ATOM 349 O ASN A 27 -2.401 -5.065 2.626 1.00 0.00 O ATOM 350 CB ASN A 27 -1.298 -4.896 5.218 1.00 0.00 C ATOM 351 CG ASN A 27 -0.787 -5.033 6.639 1.00 0.00 C ATOM 352 OD1 ASN A 27 -1.545 -4.897 7.599 1.00 0.00 O ATOM 353 ND2 ASN A 27 0.506 -5.304 6.779 1.00 0.00 N ATOM 0 H ASN A 27 -0.154 -6.929 4.285 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.736 -6.465 5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.459 -4.702 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.961 -4.033 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.907 -5.408 7.711 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.097 -5.408 5.955 1.00 0.00 H new ATOM 360 N CYS A 28 -4.040 -6.403 3.389 1.00 0.00 N ATOM 361 CA CYS A 28 -4.909 -6.179 2.240 1.00 0.00 C ATOM 362 C CYS A 28 -4.873 -4.716 1.808 1.00 0.00 C ATOM 363 O CYS A 28 -4.993 -4.404 0.623 1.00 0.00 O ATOM 364 CB CYS A 28 -6.345 -6.590 2.572 1.00 0.00 C ATOM 365 SG CYS A 28 -6.606 -8.391 2.641 1.00 0.00 S ATOM 0 H CYS A 28 -4.426 -7.033 4.092 1.00 0.00 H new ATOM 0 HA CYS A 28 -4.545 -6.792 1.415 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.623 -6.156 3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -7.015 -6.165 1.825 1.00 0.00 H new ATOM 370 N VAL A 29 -4.707 -3.823 2.778 1.00 0.00 N ATOM 371 CA VAL A 29 -4.654 -2.392 2.499 1.00 0.00 C ATOM 372 C VAL A 29 -3.444 -1.747 3.164 1.00 0.00 C ATOM 373 O VAL A 29 -3.217 -1.915 4.363 1.00 0.00 O ATOM 374 CB VAL A 29 -5.931 -1.679 2.980 1.00 0.00 C ATOM 375 CG1 VAL A 29 -5.858 -0.190 2.677 1.00 0.00 C ATOM 376 CG2 VAL A 29 -7.162 -2.301 2.338 1.00 0.00 C ATOM 0 H VAL A 29 -4.607 -4.065 3.764 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.571 -2.283 1.418 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.010 -1.803 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.769 0.297 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.998 0.243 3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.754 -0.042 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.056 -1.785 2.689 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.093 -2.210 1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.221 -3.355 2.610 1.00 0.00 H new ATOM 386 N VAL A 30 -2.668 -1.007 2.378 1.00 0.00 N ATOM 387 CA VAL A 30 -1.480 -0.335 2.891 1.00 0.00 C ATOM 388 C VAL A 30 -1.408 1.106 2.397 1.00 0.00 C ATOM 389 O VAL A 30 -1.325 1.356 1.194 1.00 0.00 O ATOM 390 CB VAL A 30 -0.193 -1.073 2.477 1.00 0.00 C ATOM 391 CG1 VAL A 30 1.035 -0.267 2.869 1.00 0.00 C ATOM 392 CG2 VAL A 30 -0.152 -2.461 3.100 1.00 0.00 C ATOM 0 H VAL A 30 -2.841 -0.858 1.384 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.558 -0.341 3.978 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.192 -1.186 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.934 -0.805 2.568 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.008 0.702 2.371 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.044 -0.120 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.764 -2.969 2.797 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.176 -2.373 4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.014 -3.037 2.763 1.00 0.00 H new ATOM 402 N ILE A 31 -1.439 2.049 3.332 1.00 0.00 N ATOM 403 CA ILE A 31 -1.375 3.464 2.991 1.00 0.00 C ATOM 404 C ILE A 31 -0.009 4.051 3.332 1.00 0.00 C ATOM 405 O ILE A 31 0.277 4.353 4.491 1.00 0.00 O ATOM 406 CB ILE A 31 -2.464 4.270 3.724 1.00 0.00 C ATOM 407 CG1 ILE A 31 -3.846 3.683 3.431 1.00 0.00 C ATOM 408 CG2 ILE A 31 -2.406 5.734 3.314 1.00 0.00 C ATOM 409 CD1 ILE A 31 -4.951 4.294 4.265 1.00 0.00 C ATOM 0 H ILE A 31 -1.508 1.859 4.332 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.542 3.537 1.916 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.283 4.207 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.077 3.827 2.375 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.820 2.608 3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.182 6.290 3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.429 6.145 3.568 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.566 5.817 2.239 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.902 3.830 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.744 4.127 5.322 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.004 5.365 4.070 1.00 0.00 H new ATOM 421 N PHE A 32 0.831 4.211 2.314 1.00 0.00 N ATOM 422 CA PHE A 32 2.167 4.763 2.506 1.00 0.00 C ATOM 423 C PHE A 32 2.149 6.284 2.389 1.00 0.00 C ATOM 424 O PHE A 32 2.030 6.832 1.293 1.00 0.00 O ATOM 425 CB PHE A 32 3.137 4.173 1.480 1.00 0.00 C ATOM 426 CG PHE A 32 3.544 2.759 1.784 1.00 0.00 C ATOM 427 CD1 PHE A 32 4.510 2.493 2.741 1.00 0.00 C ATOM 428 CD2 PHE A 32 2.961 1.696 1.113 1.00 0.00 C ATOM 429 CE1 PHE A 32 4.887 1.193 3.024 1.00 0.00 C ATOM 430 CE2 PHE A 32 3.333 0.395 1.392 1.00 0.00 C ATOM 431 CZ PHE A 32 4.298 0.143 2.347 1.00 0.00 C ATOM 0 H PHE A 32 0.610 3.966 1.349 1.00 0.00 H new ATOM 0 HA PHE A 32 2.502 4.497 3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.674 4.205 0.494 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.029 4.798 1.434 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.974 3.311 3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.207 1.887 0.363 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.641 0.999 3.773 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.869 -0.425 0.863 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.592 -0.873 2.564 1.00 0.00 H new ATOM 441 N SER A 33 2.268 6.961 3.526 1.00 0.00 N ATOM 442 CA SER A 33 2.262 8.419 3.553 1.00 0.00 C ATOM 443 C SER A 33 3.639 8.961 3.923 1.00 0.00 C ATOM 444 O SER A 33 4.510 8.220 4.377 1.00 0.00 O ATOM 445 CB SER A 33 1.216 8.927 4.548 1.00 0.00 C ATOM 446 OG SER A 33 1.400 8.340 5.825 1.00 0.00 O ATOM 0 H SER A 33 2.370 6.523 4.442 1.00 0.00 H new ATOM 0 HA SER A 33 2.007 8.776 2.555 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.284 10.012 4.630 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.216 8.697 4.179 1.00 0.00 H new ATOM 0 HG SER A 33 0.945 8.882 6.503 1.00 0.00 H new ATOM 452 N LYS A 34 3.828 10.262 3.726 1.00 0.00 N ATOM 453 CA LYS A 34 5.097 10.907 4.039 1.00 0.00 C ATOM 454 C LYS A 34 4.941 11.878 5.205 1.00 0.00 C ATOM 455 O LYS A 34 5.883 12.580 5.573 1.00 0.00 O ATOM 456 CB LYS A 34 5.632 11.649 2.812 1.00 0.00 C ATOM 457 CG LYS A 34 4.544 12.106 1.856 1.00 0.00 C ATOM 458 CD LYS A 34 3.700 13.215 2.460 1.00 0.00 C ATOM 459 CE LYS A 34 3.173 14.161 1.392 1.00 0.00 C ATOM 460 NZ LYS A 34 4.276 14.863 0.680 1.00 0.00 N ATOM 0 H LYS A 34 3.117 10.890 3.351 1.00 0.00 H new ATOM 0 HA LYS A 34 5.808 10.133 4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.202 12.517 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.324 10.998 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.997 12.457 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.906 11.261 1.599 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.863 12.780 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.295 13.775 3.181 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.576 13.600 0.673 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.512 14.896 1.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.075 15.883 0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.172 14.702 1.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.353 14.495 -0.290 1.00 0.00 H new ATOM 474 N THR A 35 3.745 11.913 5.784 1.00 0.00 N ATOM 475 CA THR A 35 3.465 12.797 6.909 1.00 0.00 C ATOM 476 C THR A 35 3.944 14.216 6.625 1.00 0.00 C ATOM 477 O THR A 35 4.577 14.848 7.470 1.00 0.00 O ATOM 478 CB THR A 35 4.133 12.290 8.201 1.00 0.00 C ATOM 479 OG1 THR A 35 5.542 12.546 8.157 1.00 0.00 O ATOM 480 CG2 THR A 35 3.889 10.800 8.388 1.00 0.00 C ATOM 0 H THR A 35 2.954 11.339 5.492 1.00 0.00 H new ATOM 0 HA THR A 35 2.384 12.802 7.046 1.00 0.00 H new ATOM 0 HB THR A 35 3.693 12.823 9.044 1.00 0.00 H new ATOM 0 HG1 THR A 35 5.807 12.762 7.239 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.370 10.465 9.307 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.817 10.612 8.450 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.305 10.254 7.541 1.00 0.00 H new ATOM 488 N SER A 36 3.638 14.711 5.430 1.00 0.00 N ATOM 489 CA SER A 36 4.041 16.055 5.033 1.00 0.00 C ATOM 490 C SER A 36 2.854 16.834 4.474 1.00 0.00 C ATOM 491 O SER A 36 2.751 18.047 4.660 1.00 0.00 O ATOM 492 CB SER A 36 5.159 15.989 3.992 1.00 0.00 C ATOM 493 OG SER A 36 6.139 15.033 4.356 1.00 0.00 O ATOM 0 H SER A 36 3.112 14.201 4.720 1.00 0.00 H new ATOM 0 HA SER A 36 4.410 16.574 5.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.740 15.732 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.623 16.970 3.890 1.00 0.00 H new ATOM 0 HG SER A 36 5.698 14.212 4.658 1.00 0.00 H new ATOM 499 N CYS A 37 1.963 16.129 3.787 1.00 0.00 N ATOM 500 CA CYS A 37 0.783 16.753 3.198 1.00 0.00 C ATOM 501 C CYS A 37 -0.490 16.256 3.874 1.00 0.00 C ATOM 502 O CYS A 37 -0.496 15.202 4.510 1.00 0.00 O ATOM 503 CB CYS A 37 0.724 16.466 1.697 1.00 0.00 C ATOM 504 SG CYS A 37 -0.435 17.516 0.790 1.00 0.00 S ATOM 0 H CYS A 37 2.035 15.125 3.624 1.00 0.00 H new ATOM 0 HA CYS A 37 0.857 17.830 3.352 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.721 16.593 1.274 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.446 15.423 1.548 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.187 16.777 0.029 1.00 0.00 H new ATOM 510 N SER A 38 -1.567 17.021 3.732 1.00 0.00 N ATOM 511 CA SER A 38 -2.846 16.661 4.334 1.00 0.00 C ATOM 512 C SER A 38 -3.379 15.361 3.738 1.00 0.00 C ATOM 513 O SER A 38 -3.973 14.542 4.440 1.00 0.00 O ATOM 514 CB SER A 38 -3.864 17.784 4.130 1.00 0.00 C ATOM 515 OG SER A 38 -3.570 18.896 4.958 1.00 0.00 O ATOM 0 H SER A 38 -1.580 17.894 3.205 1.00 0.00 H new ATOM 0 HA SER A 38 -2.689 16.514 5.402 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.863 18.094 3.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.866 17.416 4.352 1.00 0.00 H new ATOM 0 HG SER A 38 -4.234 19.601 4.807 1.00 0.00 H new ATOM 521 N TYR A 39 -3.163 15.181 2.440 1.00 0.00 N ATOM 522 CA TYR A 39 -3.624 13.982 1.749 1.00 0.00 C ATOM 523 C TYR A 39 -3.347 12.733 2.580 1.00 0.00 C ATOM 524 O TYR A 39 -4.154 11.803 2.610 1.00 0.00 O ATOM 525 CB TYR A 39 -2.942 13.862 0.385 1.00 0.00 C ATOM 526 CG TYR A 39 -3.543 14.759 -0.674 1.00 0.00 C ATOM 527 CD1 TYR A 39 -4.918 14.832 -0.852 1.00 0.00 C ATOM 528 CD2 TYR A 39 -2.734 15.536 -1.495 1.00 0.00 C ATOM 529 CE1 TYR A 39 -5.471 15.650 -1.819 1.00 0.00 C ATOM 530 CE2 TYR A 39 -3.278 16.358 -2.462 1.00 0.00 C ATOM 531 CZ TYR A 39 -4.647 16.411 -2.621 1.00 0.00 C ATOM 532 OH TYR A 39 -5.194 17.228 -3.584 1.00 0.00 O ATOM 0 H TYR A 39 -2.672 15.849 1.845 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.701 14.068 1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.884 14.102 0.495 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -3.001 12.827 0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -5.567 14.239 -0.224 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.661 15.496 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -6.543 15.693 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.635 16.956 -3.090 1.00 0.00 H new ATOM 0 HH TYR A 39 -4.478 17.696 -4.061 1.00 0.00 H new ATOM 542 N CYS A 40 -2.203 12.721 3.254 1.00 0.00 N ATOM 543 CA CYS A 40 -1.818 11.587 4.087 1.00 0.00 C ATOM 544 C CYS A 40 -2.956 11.188 5.021 1.00 0.00 C ATOM 545 O CYS A 40 -3.211 10.002 5.237 1.00 0.00 O ATOM 546 CB CYS A 40 -0.568 11.925 4.900 1.00 0.00 C ATOM 547 SG CYS A 40 -0.370 10.930 6.397 1.00 0.00 S ATOM 0 H CYS A 40 -1.526 13.483 3.240 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.598 10.744 3.432 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.310 11.791 4.269 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.603 12.978 5.179 1.00 0.00 H new ATOM 0 HG CYS A 40 0.716 11.288 7.015 1.00 0.00 H new ATOM 553 N THR A 41 -3.637 12.186 5.576 1.00 0.00 N ATOM 554 CA THR A 41 -4.745 11.940 6.490 1.00 0.00 C ATOM 555 C THR A 41 -6.028 11.628 5.727 1.00 0.00 C ATOM 556 O THR A 41 -6.882 10.885 6.209 1.00 0.00 O ATOM 557 CB THR A 41 -4.991 13.148 7.413 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.003 13.182 8.449 1.00 0.00 O ATOM 559 CG2 THR A 41 -6.379 13.084 8.031 1.00 0.00 C ATOM 0 H THR A 41 -3.440 13.173 5.408 1.00 0.00 H new ATOM 0 HA THR A 41 -4.468 11.079 7.098 1.00 0.00 H new ATOM 0 HB THR A 41 -4.920 14.055 6.813 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.165 13.954 9.031 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.529 13.948 8.679 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.130 13.088 7.241 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.474 12.170 8.617 1.00 0.00 H new ATOM 567 N MET A 42 -6.155 12.201 4.535 1.00 0.00 N ATOM 568 CA MET A 42 -7.334 11.981 3.705 1.00 0.00 C ATOM 569 C MET A 42 -7.506 10.500 3.385 1.00 0.00 C ATOM 570 O MET A 42 -8.623 9.983 3.376 1.00 0.00 O ATOM 571 CB MET A 42 -7.228 12.786 2.408 1.00 0.00 C ATOM 572 CG MET A 42 -7.773 14.200 2.523 1.00 0.00 C ATOM 573 SD MET A 42 -9.530 14.301 2.131 1.00 0.00 S ATOM 574 CE MET A 42 -9.574 13.457 0.552 1.00 0.00 C ATOM 0 H MET A 42 -5.457 12.820 4.122 1.00 0.00 H new ATOM 0 HA MET A 42 -8.208 12.317 4.263 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.182 12.832 2.103 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.767 12.261 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.609 14.567 3.536 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.217 14.855 1.853 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.359 13.888 -0.069 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.612 13.571 0.052 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.777 12.398 0.711 1.00 0.00 H new ATOM 584 N ALA A 43 -6.393 9.823 3.123 1.00 0.00 N ATOM 585 CA ALA A 43 -6.422 8.400 2.805 1.00 0.00 C ATOM 586 C ALA A 43 -6.965 7.587 3.974 1.00 0.00 C ATOM 587 O ALA A 43 -8.041 6.994 3.886 1.00 0.00 O ATOM 588 CB ALA A 43 -5.030 7.917 2.424 1.00 0.00 C ATOM 0 H ALA A 43 -5.460 10.236 3.125 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.090 8.256 1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.066 6.853 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.679 8.470 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.347 8.082 3.257 1.00 0.00 H new ATOM 594 N LYS A 44 -6.215 7.561 5.070 1.00 0.00 N ATOM 595 CA LYS A 44 -6.620 6.821 6.259 1.00 0.00 C ATOM 596 C LYS A 44 -7.953 7.336 6.792 1.00 0.00 C ATOM 597 O LYS A 44 -8.746 6.577 7.350 1.00 0.00 O ATOM 598 CB LYS A 44 -5.548 6.932 7.345 1.00 0.00 C ATOM 599 CG LYS A 44 -5.287 8.357 7.799 1.00 0.00 C ATOM 600 CD LYS A 44 -3.844 8.548 8.237 1.00 0.00 C ATOM 601 CE LYS A 44 -3.731 9.580 9.349 1.00 0.00 C ATOM 602 NZ LYS A 44 -4.585 9.231 10.518 1.00 0.00 N ATOM 0 H LYS A 44 -5.322 8.045 5.160 1.00 0.00 H new ATOM 0 HA LYS A 44 -6.739 5.774 5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.851 6.335 8.205 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.618 6.503 6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.516 9.046 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.954 8.605 8.624 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.438 7.596 8.580 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.242 8.863 7.384 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.692 9.657 9.669 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.021 10.559 8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.141 9.583 11.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.522 9.668 10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.689 8.198 10.575 1.00 0.00 H new ATOM 616 N LYS A 45 -8.196 8.630 6.616 1.00 0.00 N ATOM 617 CA LYS A 45 -9.434 9.247 7.076 1.00 0.00 C ATOM 618 C LYS A 45 -10.641 8.631 6.377 1.00 0.00 C ATOM 619 O LYS A 45 -11.689 8.425 6.991 1.00 0.00 O ATOM 620 CB LYS A 45 -9.400 10.756 6.825 1.00 0.00 C ATOM 621 CG LYS A 45 -10.732 11.444 7.072 1.00 0.00 C ATOM 622 CD LYS A 45 -10.582 12.956 7.099 1.00 0.00 C ATOM 623 CE LYS A 45 -11.933 13.651 7.034 1.00 0.00 C ATOM 624 NZ LYS A 45 -11.798 15.133 7.093 1.00 0.00 N ATOM 0 H LYS A 45 -7.551 9.273 6.157 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.525 9.066 8.147 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.644 11.206 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.092 10.938 5.795 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.439 11.161 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.149 11.102 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.061 13.255 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.966 13.277 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.442 13.369 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.557 13.310 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.741 15.570 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.335 15.404 7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.224 15.462 6.290 1.00 0.00 H new ATOM 638 N LEU A 46 -10.488 8.338 5.090 1.00 0.00 N ATOM 639 CA LEU A 46 -11.566 7.744 4.308 1.00 0.00 C ATOM 640 C LEU A 46 -11.863 6.324 4.780 1.00 0.00 C ATOM 641 O LEU A 46 -13.011 5.980 5.063 1.00 0.00 O ATOM 642 CB LEU A 46 -11.199 7.733 2.823 1.00 0.00 C ATOM 643 CG LEU A 46 -11.949 6.724 1.953 1.00 0.00 C ATOM 644 CD1 LEU A 46 -13.350 7.226 1.639 1.00 0.00 C ATOM 645 CD2 LEU A 46 -11.179 6.450 0.669 1.00 0.00 C ATOM 0 H LEU A 46 -9.628 8.502 4.566 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.461 8.349 4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.373 8.730 2.419 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.131 7.535 2.735 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.036 5.790 2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -13.868 6.494 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -13.902 7.370 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -13.286 8.174 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.728 5.730 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -11.060 7.379 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.197 6.045 0.913 1.00 0.00 H new ATOM 657 N PHE A 47 -10.821 5.504 4.864 1.00 0.00 N ATOM 658 CA PHE A 47 -10.970 4.122 5.303 1.00 0.00 C ATOM 659 C PHE A 47 -11.474 4.059 6.742 1.00 0.00 C ATOM 660 O PHE A 47 -12.311 3.223 7.083 1.00 0.00 O ATOM 661 CB PHE A 47 -9.636 3.381 5.186 1.00 0.00 C ATOM 662 CG PHE A 47 -9.249 3.063 3.770 1.00 0.00 C ATOM 663 CD1 PHE A 47 -9.732 1.925 3.145 1.00 0.00 C ATOM 664 CD2 PHE A 47 -8.402 3.902 3.065 1.00 0.00 C ATOM 665 CE1 PHE A 47 -9.378 1.630 1.841 1.00 0.00 C ATOM 666 CE2 PHE A 47 -8.045 3.613 1.761 1.00 0.00 C ATOM 667 CZ PHE A 47 -8.533 2.474 1.149 1.00 0.00 C ATOM 0 H PHE A 47 -9.864 5.773 4.634 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.704 3.640 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -8.852 3.986 5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.694 2.453 5.756 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.393 1.261 3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.016 4.792 3.539 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.762 0.740 1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.386 4.277 1.221 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.254 2.245 0.131 1.00 0.00 H new ATOM 677 N HIS A 48 -10.959 4.951 7.583 1.00 0.00 N ATOM 678 CA HIS A 48 -11.356 4.998 8.985 1.00 0.00 C ATOM 679 C HIS A 48 -12.875 5.071 9.117 1.00 0.00 C ATOM 680 O HIS A 48 -13.493 4.223 9.762 1.00 0.00 O ATOM 681 CB HIS A 48 -10.714 6.200 9.679 1.00 0.00 C ATOM 682 CG HIS A 48 -10.728 6.106 11.174 1.00 0.00 C ATOM 683 ND1 HIS A 48 -9.767 6.688 11.973 1.00 0.00 N ATOM 684 CD2 HIS A 48 -11.595 5.494 12.015 1.00 0.00 C ATOM 685 CE1 HIS A 48 -10.041 6.438 13.241 1.00 0.00 C ATOM 686 NE2 HIS A 48 -11.146 5.715 13.293 1.00 0.00 N ATOM 0 H HIS A 48 -10.266 5.651 7.317 1.00 0.00 H new ATOM 0 HA HIS A 48 -11.010 4.083 9.466 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.683 6.298 9.339 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.237 7.107 9.375 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.476 4.936 11.733 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.461 6.768 14.090 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -11.593 5.376 14.145 1.00 0.00 H new ATOM 694 N ASP A 49 -13.469 6.088 8.504 1.00 0.00 N ATOM 695 CA ASP A 49 -14.915 6.271 8.552 1.00 0.00 C ATOM 696 C ASP A 49 -15.638 5.018 8.068 1.00 0.00 C ATOM 697 O ASP A 49 -16.723 4.692 8.548 1.00 0.00 O ATOM 698 CB ASP A 49 -15.327 7.474 7.702 1.00 0.00 C ATOM 699 CG ASP A 49 -16.635 8.087 8.162 1.00 0.00 C ATOM 700 OD1 ASP A 49 -17.701 7.594 7.741 1.00 0.00 O ATOM 701 OD2 ASP A 49 -16.592 9.062 8.943 1.00 0.00 O ATOM 0 H ASP A 49 -12.972 6.799 7.968 1.00 0.00 H new ATOM 0 HA ASP A 49 -15.199 6.454 9.588 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -14.542 8.229 7.741 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -15.420 7.165 6.661 1.00 0.00 H new ATOM 706 N MET A 50 -15.029 4.322 7.114 1.00 0.00 N ATOM 707 CA MET A 50 -15.616 3.105 6.565 1.00 0.00 C ATOM 708 C MET A 50 -15.456 1.939 7.535 1.00 0.00 C ATOM 709 O MET A 50 -16.111 0.907 7.392 1.00 0.00 O ATOM 710 CB MET A 50 -14.965 2.760 5.223 1.00 0.00 C ATOM 711 CG MET A 50 -15.154 3.832 4.163 1.00 0.00 C ATOM 712 SD MET A 50 -13.789 3.894 2.987 1.00 0.00 S ATOM 713 CE MET A 50 -13.802 2.215 2.364 1.00 0.00 C ATOM 0 H MET A 50 -14.131 4.579 6.705 1.00 0.00 H new ATOM 0 HA MET A 50 -16.680 3.282 6.410 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.898 2.597 5.377 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.381 1.821 4.857 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.084 3.646 3.625 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.255 4.803 4.648 1.00 0.00 H new ATOM 0 HE1 MET A 50 -12.863 1.724 2.620 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.632 1.667 2.811 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.919 2.230 1.280 1.00 0.00 H new ATOM 723 N ASN A 51 -14.583 2.111 8.521 1.00 0.00 N ATOM 724 CA ASN A 51 -14.337 1.072 9.515 1.00 0.00 C ATOM 725 C ASN A 51 -13.580 -0.101 8.900 1.00 0.00 C ATOM 726 O ASN A 51 -13.806 -1.257 9.258 1.00 0.00 O ATOM 727 CB ASN A 51 -15.660 0.583 10.110 1.00 0.00 C ATOM 728 CG ASN A 51 -15.500 0.064 11.526 1.00 0.00 C ATOM 729 OD1 ASN A 51 -14.402 -0.302 11.945 1.00 0.00 O ATOM 730 ND2 ASN A 51 -16.599 0.030 12.271 1.00 0.00 N ATOM 0 H ASN A 51 -14.034 2.960 8.654 1.00 0.00 H new ATOM 0 HA ASN A 51 -13.725 1.501 10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -16.382 1.400 10.105 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -16.068 -0.207 9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.554 -0.309 13.232 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -17.488 0.343 11.882 1.00 0.00 H new ATOM 737 N VAL A 52 -12.678 0.205 7.972 1.00 0.00 N ATOM 738 CA VAL A 52 -11.885 -0.823 7.308 1.00 0.00 C ATOM 739 C VAL A 52 -10.442 -0.806 7.799 1.00 0.00 C ATOM 740 O VAL A 52 -9.649 0.044 7.398 1.00 0.00 O ATOM 741 CB VAL A 52 -11.897 -0.640 5.779 1.00 0.00 C ATOM 742 CG1 VAL A 52 -10.997 -1.668 5.111 1.00 0.00 C ATOM 743 CG2 VAL A 52 -13.318 -0.735 5.242 1.00 0.00 C ATOM 0 H VAL A 52 -12.478 1.156 7.663 1.00 0.00 H new ATOM 0 HA VAL A 52 -12.339 -1.783 7.556 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.510 0.352 5.547 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.018 -1.523 4.031 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.976 -1.548 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -11.351 -2.671 5.350 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.308 -0.603 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -13.734 -1.713 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.931 0.043 5.696 1.00 0.00 H new ATOM 753 N ASN A 53 -10.109 -1.753 8.671 1.00 0.00 N ATOM 754 CA ASN A 53 -8.760 -1.848 9.218 1.00 0.00 C ATOM 755 C ASN A 53 -7.716 -1.564 8.142 1.00 0.00 C ATOM 756 O ASN A 53 -7.573 -2.324 7.185 1.00 0.00 O ATOM 757 CB ASN A 53 -8.527 -3.236 9.817 1.00 0.00 C ATOM 758 CG ASN A 53 -7.105 -3.421 10.312 1.00 0.00 C ATOM 759 OD1 ASN A 53 -6.204 -3.743 9.538 1.00 0.00 O ATOM 760 ND2 ASN A 53 -6.899 -3.217 11.607 1.00 0.00 N ATOM 0 H ASN A 53 -10.754 -2.465 9.014 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.659 -1.099 10.004 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.220 -3.393 10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.749 -3.995 9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -5.963 -3.326 11.998 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.676 -2.951 12.211 1.00 0.00 H new ATOM 767 N TYR A 54 -6.989 -0.464 8.308 1.00 0.00 N ATOM 768 CA TYR A 54 -5.959 -0.078 7.351 1.00 0.00 C ATOM 769 C TYR A 54 -4.581 -0.076 8.005 1.00 0.00 C ATOM 770 O TYR A 54 -4.457 -0.226 9.221 1.00 0.00 O ATOM 771 CB TYR A 54 -6.263 1.305 6.772 1.00 0.00 C ATOM 772 CG TYR A 54 -6.192 2.417 7.794 1.00 0.00 C ATOM 773 CD1 TYR A 54 -7.246 2.652 8.669 1.00 0.00 C ATOM 774 CD2 TYR A 54 -5.072 3.235 7.883 1.00 0.00 C ATOM 775 CE1 TYR A 54 -7.186 3.668 9.603 1.00 0.00 C ATOM 776 CE2 TYR A 54 -5.003 4.252 8.815 1.00 0.00 C ATOM 777 CZ TYR A 54 -6.062 4.465 9.673 1.00 0.00 C ATOM 778 OH TYR A 54 -5.998 5.478 10.602 1.00 0.00 O ATOM 0 H TYR A 54 -7.094 0.175 9.096 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.957 -0.810 6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.558 1.516 5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.259 1.293 6.328 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.127 2.030 8.618 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.241 3.073 7.212 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.014 3.838 10.275 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.124 4.877 8.872 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.139 5.943 10.520 1.00 0.00 H new ATOM 788 N LYS A 55 -3.546 0.096 7.189 1.00 0.00 N ATOM 789 CA LYS A 55 -2.175 0.120 7.686 1.00 0.00 C ATOM 790 C LYS A 55 -1.400 1.290 7.087 1.00 0.00 C ATOM 791 O LYS A 55 -1.021 1.261 5.916 1.00 0.00 O ATOM 792 CB LYS A 55 -1.468 -1.196 7.356 1.00 0.00 C ATOM 793 CG LYS A 55 0.045 -1.118 7.466 1.00 0.00 C ATOM 794 CD LYS A 55 0.495 -1.036 8.915 1.00 0.00 C ATOM 795 CE LYS A 55 1.887 -1.618 9.100 1.00 0.00 C ATOM 796 NZ LYS A 55 2.080 -2.172 10.469 1.00 0.00 N ATOM 0 H LYS A 55 -3.631 0.221 6.180 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.209 0.245 8.768 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.833 -1.973 8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.735 -1.498 6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.491 -1.994 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.406 -0.245 6.922 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.488 0.004 9.241 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.212 -1.573 9.548 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.053 -2.404 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.632 -0.844 8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.041 -2.559 10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.947 -1.416 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.386 -2.928 10.639 1.00 0.00 H new ATOM 810 N VAL A 56 -1.167 2.317 7.898 1.00 0.00 N ATOM 811 CA VAL A 56 -0.435 3.495 7.449 1.00 0.00 C ATOM 812 C VAL A 56 1.033 3.417 7.855 1.00 0.00 C ATOM 813 O VAL A 56 1.355 3.104 9.001 1.00 0.00 O ATOM 814 CB VAL A 56 -1.047 4.788 8.020 1.00 0.00 C ATOM 815 CG1 VAL A 56 -0.441 5.112 9.377 1.00 0.00 C ATOM 816 CG2 VAL A 56 -0.851 5.943 7.049 1.00 0.00 C ATOM 0 H VAL A 56 -1.475 2.357 8.870 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.508 3.518 6.362 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.118 4.634 8.155 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.886 6.029 9.765 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.638 4.293 10.068 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.635 5.247 9.272 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.289 6.849 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.214 6.100 6.880 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.338 5.709 6.102 1.00 0.00 H new ATOM 826 N VAL A 57 1.919 3.706 6.908 1.00 0.00 N ATOM 827 CA VAL A 57 3.354 3.671 7.167 1.00 0.00 C ATOM 828 C VAL A 57 4.001 5.017 6.861 1.00 0.00 C ATOM 829 O VAL A 57 4.022 5.459 5.713 1.00 0.00 O ATOM 830 CB VAL A 57 4.049 2.578 6.332 1.00 0.00 C ATOM 831 CG1 VAL A 57 5.548 2.583 6.588 1.00 0.00 C ATOM 832 CG2 VAL A 57 3.451 1.213 6.638 1.00 0.00 C ATOM 0 H VAL A 57 1.669 3.967 5.954 1.00 0.00 H new ATOM 0 HA VAL A 57 3.479 3.444 8.226 1.00 0.00 H new ATOM 0 HB VAL A 57 3.885 2.792 5.276 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.022 1.805 5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.961 3.554 6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.737 2.394 7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.954 0.453 6.040 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.582 0.987 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.388 1.219 6.398 1.00 0.00 H new ATOM 842 N GLU A 58 4.527 5.663 7.896 1.00 0.00 N ATOM 843 CA GLU A 58 5.175 6.960 7.737 1.00 0.00 C ATOM 844 C GLU A 58 6.586 6.799 7.180 1.00 0.00 C ATOM 845 O GLU A 58 7.513 6.431 7.903 1.00 0.00 O ATOM 846 CB GLU A 58 5.224 7.698 9.077 1.00 0.00 C ATOM 847 CG GLU A 58 3.883 7.761 9.787 1.00 0.00 C ATOM 848 CD GLU A 58 3.658 6.585 10.718 1.00 0.00 C ATOM 849 OE1 GLU A 58 4.521 6.347 11.589 1.00 0.00 O ATOM 850 OE2 GLU A 58 2.622 5.904 10.575 1.00 0.00 O ATOM 0 H GLU A 58 4.517 5.310 8.853 1.00 0.00 H new ATOM 0 HA GLU A 58 4.589 7.546 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.947 7.205 9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.585 8.713 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.822 8.688 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.085 7.790 9.045 1.00 0.00 H new ATOM 857 N LEU A 59 6.742 7.076 5.891 1.00 0.00 N ATOM 858 CA LEU A 59 8.040 6.962 5.235 1.00 0.00 C ATOM 859 C LEU A 59 8.984 8.066 5.699 1.00 0.00 C ATOM 860 O LEU A 59 10.125 7.802 6.078 1.00 0.00 O ATOM 861 CB LEU A 59 7.873 7.024 3.715 1.00 0.00 C ATOM 862 CG LEU A 59 7.160 5.835 3.069 1.00 0.00 C ATOM 863 CD1 LEU A 59 6.979 6.068 1.578 1.00 0.00 C ATOM 864 CD2 LEU A 59 7.933 4.549 3.321 1.00 0.00 C ATOM 0 H LEU A 59 5.986 7.381 5.279 1.00 0.00 H new ATOM 0 HA LEU A 59 8.474 6.000 5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.322 7.931 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 59 8.861 7.118 3.265 1.00 0.00 H new ATOM 0 HG LEU A 59 6.174 5.736 3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.470 5.212 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.382 6.966 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.955 6.193 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.411 3.713 2.854 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.933 4.636 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.010 4.375 4.394 1.00 0.00 H new ATOM 876 N ASP A 60 8.499 9.302 5.670 1.00 0.00 N ATOM 877 CA ASP A 60 9.298 10.447 6.091 1.00 0.00 C ATOM 878 C ASP A 60 9.892 10.215 7.477 1.00 0.00 C ATOM 879 O ASP A 60 11.022 10.618 7.756 1.00 0.00 O ATOM 880 CB ASP A 60 8.447 11.718 6.094 1.00 0.00 C ATOM 881 CG ASP A 60 9.216 12.929 6.584 1.00 0.00 C ATOM 882 OD1 ASP A 60 10.370 13.115 6.147 1.00 0.00 O ATOM 883 OD2 ASP A 60 8.663 13.691 7.404 1.00 0.00 O ATOM 0 H ASP A 60 7.556 9.537 5.359 1.00 0.00 H new ATOM 0 HA ASP A 60 10.115 10.569 5.380 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.080 11.908 5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.573 11.565 6.728 1.00 0.00 H new ATOM 888 N LEU A 61 9.123 9.564 8.343 1.00 0.00 N ATOM 889 CA LEU A 61 9.572 9.279 9.702 1.00 0.00 C ATOM 890 C LEU A 61 10.567 8.123 9.715 1.00 0.00 C ATOM 891 O LEU A 61 11.513 8.113 10.504 1.00 0.00 O ATOM 892 CB LEU A 61 8.376 8.946 10.596 1.00 0.00 C ATOM 893 CG LEU A 61 7.521 10.133 11.042 1.00 0.00 C ATOM 894 CD1 LEU A 61 7.462 11.189 9.949 1.00 0.00 C ATOM 895 CD2 LEU A 61 6.121 9.671 11.417 1.00 0.00 C ATOM 0 H LEU A 61 8.186 9.224 8.129 1.00 0.00 H new ATOM 0 HA LEU A 61 10.070 10.168 10.088 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.736 8.242 10.065 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.744 8.434 11.485 1.00 0.00 H new ATOM 0 HG LEU A 61 7.983 10.578 11.923 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.849 12.026 10.284 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.470 11.542 9.729 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.025 10.757 9.049 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.527 10.529 11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 61 5.650 9.200 10.554 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.182 8.952 12.234 1.00 0.00 H new ATOM 907 N LEU A 62 10.350 7.152 8.835 1.00 0.00 N ATOM 908 CA LEU A 62 11.230 5.992 8.743 1.00 0.00 C ATOM 909 C LEU A 62 12.668 6.419 8.469 1.00 0.00 C ATOM 910 O LEU A 62 12.910 7.432 7.813 1.00 0.00 O ATOM 911 CB LEU A 62 10.748 5.048 7.640 1.00 0.00 C ATOM 912 CG LEU A 62 9.549 4.165 7.988 1.00 0.00 C ATOM 913 CD1 LEU A 62 8.822 3.729 6.725 1.00 0.00 C ATOM 914 CD2 LEU A 62 9.995 2.954 8.794 1.00 0.00 C ATOM 0 H LEU A 62 9.572 7.145 8.175 1.00 0.00 H new ATOM 0 HA LEU A 62 11.202 5.469 9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.492 5.645 6.765 1.00 0.00 H new ATOM 0 HB3 LEU A 62 11.578 4.402 7.354 1.00 0.00 H new ATOM 0 HG LEU A 62 8.858 4.748 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.972 3.102 6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.469 4.608 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 62 9.504 3.164 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.129 2.337 9.033 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.707 2.370 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 62 10.470 3.286 9.717 1.00 0.00 H new ATOM 926 N GLU A 63 13.618 5.640 8.976 1.00 0.00 N ATOM 927 CA GLU A 63 15.033 5.938 8.785 1.00 0.00 C ATOM 928 C GLU A 63 15.426 5.794 7.318 1.00 0.00 C ATOM 929 O GLU A 63 16.190 6.600 6.786 1.00 0.00 O ATOM 930 CB GLU A 63 15.893 5.013 9.648 1.00 0.00 C ATOM 931 CG GLU A 63 15.808 3.551 9.244 1.00 0.00 C ATOM 932 CD GLU A 63 16.071 2.609 10.403 1.00 0.00 C ATOM 933 OE1 GLU A 63 17.241 2.502 10.827 1.00 0.00 O ATOM 934 OE2 GLU A 63 15.107 1.980 10.887 1.00 0.00 O ATOM 0 H GLU A 63 13.434 4.798 9.522 1.00 0.00 H new ATOM 0 HA GLU A 63 15.205 6.970 9.090 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.932 5.338 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.586 5.112 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.819 3.348 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 63 16.529 3.355 8.450 1.00 0.00 H new ATOM 941 N TYR A 64 14.898 4.762 6.669 1.00 0.00 N ATOM 942 CA TYR A 64 15.195 4.510 5.264 1.00 0.00 C ATOM 943 C TYR A 64 14.050 4.979 4.372 1.00 0.00 C ATOM 944 O TYR A 64 13.709 4.328 3.385 1.00 0.00 O ATOM 945 CB TYR A 64 15.456 3.020 5.036 1.00 0.00 C ATOM 946 CG TYR A 64 14.563 2.116 5.856 1.00 0.00 C ATOM 947 CD1 TYR A 64 13.247 1.879 5.478 1.00 0.00 C ATOM 948 CD2 TYR A 64 15.034 1.501 7.009 1.00 0.00 C ATOM 949 CE1 TYR A 64 12.427 1.054 6.224 1.00 0.00 C ATOM 950 CE2 TYR A 64 14.222 0.674 7.761 1.00 0.00 C ATOM 951 CZ TYR A 64 12.919 0.454 7.364 1.00 0.00 C ATOM 952 OH TYR A 64 12.107 -0.368 8.111 1.00 0.00 O ATOM 0 H TYR A 64 14.262 4.087 7.093 1.00 0.00 H new ATOM 0 HA TYR A 64 16.090 5.074 5.002 1.00 0.00 H new ATOM 0 HB2 TYR A 64 15.316 2.793 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 64 16.497 2.802 5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 64 12.858 2.348 4.586 1.00 0.00 H new ATOM 0 HD2 TYR A 64 16.053 1.672 7.323 1.00 0.00 H new ATOM 0 HE1 TYR A 64 11.407 0.880 5.916 1.00 0.00 H new ATOM 0 HE2 TYR A 64 14.605 0.203 8.654 1.00 0.00 H new ATOM 0 HH TYR A 64 12.608 -0.711 8.881 1.00 0.00 H new ATOM 962 N GLY A 65 13.460 6.117 4.727 1.00 0.00 N ATOM 963 CA GLY A 65 12.360 6.656 3.950 1.00 0.00 C ATOM 964 C GLY A 65 12.738 6.901 2.503 1.00 0.00 C ATOM 965 O GLY A 65 12.009 6.516 1.590 1.00 0.00 O ATOM 0 H GLY A 65 13.725 6.675 5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 65 11.518 5.965 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 65 12.026 7.592 4.399 1.00 0.00 H new ATOM 969 N ASN A 66 13.881 7.546 2.293 1.00 0.00 N ATOM 970 CA ASN A 66 14.354 7.845 0.946 1.00 0.00 C ATOM 971 C ASN A 66 14.482 6.569 0.119 1.00 0.00 C ATOM 972 O ASN A 66 14.558 6.619 -1.109 1.00 0.00 O ATOM 973 CB ASN A 66 15.703 8.565 1.004 1.00 0.00 C ATOM 974 CG ASN A 66 15.580 9.982 1.530 1.00 0.00 C ATOM 975 OD1 ASN A 66 14.484 10.445 1.846 1.00 0.00 O ATOM 976 ND2 ASN A 66 16.707 10.678 1.625 1.00 0.00 N ATOM 0 H ASN A 66 14.497 7.872 3.038 1.00 0.00 H new ATOM 0 HA ASN A 66 13.622 8.496 0.467 1.00 0.00 H new ATOM 0 HB2 ASN A 66 16.385 8.002 1.641 1.00 0.00 H new ATOM 0 HB3 ASN A 66 16.143 8.587 0.007 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.686 11.637 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 66 17.593 10.253 1.352 1.00 0.00 H new ATOM 983 N GLN A 67 14.503 5.428 0.800 1.00 0.00 N ATOM 984 CA GLN A 67 14.621 4.140 0.128 1.00 0.00 C ATOM 985 C GLN A 67 13.261 3.656 -0.365 1.00 0.00 C ATOM 986 O GLN A 67 13.019 3.573 -1.569 1.00 0.00 O ATOM 987 CB GLN A 67 15.233 3.103 1.071 1.00 0.00 C ATOM 988 CG GLN A 67 16.590 3.509 1.624 1.00 0.00 C ATOM 989 CD GLN A 67 17.738 3.055 0.746 1.00 0.00 C ATOM 990 OE1 GLN A 67 17.728 3.265 -0.467 1.00 0.00 O ATOM 991 NE2 GLN A 67 18.737 2.427 1.355 1.00 0.00 N ATOM 0 H GLN A 67 14.440 5.369 1.816 1.00 0.00 H new ATOM 0 HA GLN A 67 15.275 4.268 -0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.548 2.931 1.901 1.00 0.00 H new ATOM 0 HB3 GLN A 67 15.335 2.157 0.540 1.00 0.00 H new ATOM 0 HG2 GLN A 67 16.625 4.593 1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 67 16.712 3.088 2.622 1.00 0.00 H new ATOM 0 HE21 GLN A 67 18.704 2.274 2.363 1.00 0.00 H new ATOM 0 HE22 GLN A 67 19.537 2.098 0.815 1.00 0.00 H new ATOM 1000 N PHE A 68 12.376 3.338 0.574 1.00 0.00 N ATOM 1001 CA PHE A 68 11.041 2.861 0.235 1.00 0.00 C ATOM 1002 C PHE A 68 10.297 3.885 -0.618 1.00 0.00 C ATOM 1003 O PHE A 68 9.461 3.527 -1.446 1.00 0.00 O ATOM 1004 CB PHE A 68 10.244 2.565 1.508 1.00 0.00 C ATOM 1005 CG PHE A 68 10.622 1.269 2.164 1.00 0.00 C ATOM 1006 CD1 PHE A 68 11.952 0.894 2.274 1.00 0.00 C ATOM 1007 CD2 PHE A 68 9.648 0.424 2.672 1.00 0.00 C ATOM 1008 CE1 PHE A 68 12.303 -0.298 2.878 1.00 0.00 C ATOM 1009 CE2 PHE A 68 9.994 -0.770 3.277 1.00 0.00 C ATOM 1010 CZ PHE A 68 11.323 -1.131 3.380 1.00 0.00 C ATOM 0 H PHE A 68 12.559 3.402 1.575 1.00 0.00 H new ATOM 0 HA PHE A 68 11.146 1.942 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 68 10.393 3.379 2.218 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.182 2.544 1.265 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.723 1.541 1.883 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.607 0.701 2.594 1.00 0.00 H new ATOM 0 HE1 PHE A 68 13.343 -0.578 2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.226 -1.420 3.669 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.595 -2.063 3.852 1.00 0.00 H new ATOM 1020 N GLN A 69 10.609 5.159 -0.407 1.00 0.00 N ATOM 1021 CA GLN A 69 9.970 6.236 -1.155 1.00 0.00 C ATOM 1022 C GLN A 69 10.166 6.046 -2.655 1.00 0.00 C ATOM 1023 O GLN A 69 9.212 6.117 -3.430 1.00 0.00 O ATOM 1024 CB GLN A 69 10.533 7.590 -0.722 1.00 0.00 C ATOM 1025 CG GLN A 69 9.772 8.226 0.430 1.00 0.00 C ATOM 1026 CD GLN A 69 9.865 9.739 0.428 1.00 0.00 C ATOM 1027 OE1 GLN A 69 10.870 10.311 0.851 1.00 0.00 O ATOM 1028 NE2 GLN A 69 8.815 10.396 -0.050 1.00 0.00 N ATOM 0 H GLN A 69 11.300 5.471 0.275 1.00 0.00 H new ATOM 0 HA GLN A 69 8.902 6.210 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.576 7.464 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.519 8.269 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.724 7.930 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.162 7.843 1.373 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.003 9.881 -0.390 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.820 11.416 -0.077 1.00 0.00 H new ATOM 1037 N ASP A 70 11.409 5.806 -3.059 1.00 0.00 N ATOM 1038 CA ASP A 70 11.730 5.606 -4.467 1.00 0.00 C ATOM 1039 C ASP A 70 11.119 4.307 -4.985 1.00 0.00 C ATOM 1040 O ASP A 70 10.336 4.313 -5.934 1.00 0.00 O ATOM 1041 CB ASP A 70 13.246 5.586 -4.669 1.00 0.00 C ATOM 1042 CG ASP A 70 13.637 5.677 -6.131 1.00 0.00 C ATOM 1043 OD1 ASP A 70 12.812 5.301 -6.990 1.00 0.00 O ATOM 1044 OD2 ASP A 70 14.767 6.125 -6.416 1.00 0.00 O ATOM 0 H ASP A 70 12.210 5.745 -2.431 1.00 0.00 H new ATOM 0 HA ASP A 70 11.307 6.437 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 70 13.693 6.417 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 70 13.654 4.669 -4.243 1.00 0.00 H new ATOM 1049 N ALA A 71 11.484 3.195 -4.354 1.00 0.00 N ATOM 1050 CA ALA A 71 10.971 1.889 -4.750 1.00 0.00 C ATOM 1051 C ALA A 71 9.499 1.972 -5.139 1.00 0.00 C ATOM 1052 O ALA A 71 9.095 1.478 -6.192 1.00 0.00 O ATOM 1053 CB ALA A 71 11.167 0.883 -3.626 1.00 0.00 C ATOM 0 H ALA A 71 12.133 3.173 -3.567 1.00 0.00 H new ATOM 0 HA ALA A 71 11.531 1.555 -5.623 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.780 -0.088 -3.935 1.00 0.00 H new ATOM 0 HB2 ALA A 71 12.229 0.794 -3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.633 1.221 -2.738 1.00 0.00 H new ATOM 1059 N LEU A 72 8.700 2.599 -4.282 1.00 0.00 N ATOM 1060 CA LEU A 72 7.271 2.746 -4.535 1.00 0.00 C ATOM 1061 C LEU A 72 7.024 3.536 -5.816 1.00 0.00 C ATOM 1062 O LEU A 72 6.361 3.056 -6.735 1.00 0.00 O ATOM 1063 CB LEU A 72 6.593 3.442 -3.354 1.00 0.00 C ATOM 1064 CG LEU A 72 6.279 2.560 -2.145 1.00 0.00 C ATOM 1065 CD1 LEU A 72 6.001 3.414 -0.918 1.00 0.00 C ATOM 1066 CD2 LEU A 72 5.096 1.649 -2.442 1.00 0.00 C ATOM 0 H LEU A 72 9.018 3.014 -3.406 1.00 0.00 H new ATOM 0 HA LEU A 72 6.844 1.751 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.233 4.261 -3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.662 3.886 -3.706 1.00 0.00 H new ATOM 0 HG LEU A 72 7.149 1.937 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.780 2.769 -0.068 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.876 4.023 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.147 4.063 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.887 1.029 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.220 2.254 -2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.333 1.011 -3.293 1.00 0.00 H new ATOM 1078 N TYR A 73 7.562 4.749 -5.870 1.00 0.00 N ATOM 1079 CA TYR A 73 7.400 5.606 -7.038 1.00 0.00 C ATOM 1080 C TYR A 73 7.558 4.806 -8.327 1.00 0.00 C ATOM 1081 O TYR A 73 6.962 5.135 -9.353 1.00 0.00 O ATOM 1082 CB TYR A 73 8.418 6.747 -7.005 1.00 0.00 C ATOM 1083 CG TYR A 73 8.551 7.478 -8.322 1.00 0.00 C ATOM 1084 CD1 TYR A 73 9.313 6.950 -9.358 1.00 0.00 C ATOM 1085 CD2 TYR A 73 7.917 8.696 -8.530 1.00 0.00 C ATOM 1086 CE1 TYR A 73 9.438 7.614 -10.562 1.00 0.00 C ATOM 1087 CE2 TYR A 73 8.036 9.367 -9.732 1.00 0.00 C ATOM 1088 CZ TYR A 73 8.797 8.822 -10.745 1.00 0.00 C ATOM 1089 OH TYR A 73 8.919 9.488 -11.943 1.00 0.00 O ATOM 0 H TYR A 73 8.114 5.161 -5.118 1.00 0.00 H new ATOM 0 HA TYR A 73 6.394 6.025 -7.013 1.00 0.00 H new ATOM 0 HB2 TYR A 73 8.129 7.459 -6.232 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.391 6.346 -6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.816 6.004 -9.219 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.321 9.126 -7.739 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.034 7.190 -11.356 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.536 10.313 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 73 8.405 10.322 -11.908 1.00 0.00 H new ATOM 1099 N LYS A 74 8.364 3.752 -8.266 1.00 0.00 N ATOM 1100 CA LYS A 74 8.601 2.901 -9.426 1.00 0.00 C ATOM 1101 C LYS A 74 7.458 1.909 -9.616 1.00 0.00 C ATOM 1102 O LYS A 74 7.065 1.609 -10.743 1.00 0.00 O ATOM 1103 CB LYS A 74 9.924 2.147 -9.270 1.00 0.00 C ATOM 1104 CG LYS A 74 11.094 3.043 -8.901 1.00 0.00 C ATOM 1105 CD LYS A 74 12.370 2.241 -8.708 1.00 0.00 C ATOM 1106 CE LYS A 74 13.150 2.113 -10.008 1.00 0.00 C ATOM 1107 NZ LYS A 74 14.121 3.228 -10.184 1.00 0.00 N ATOM 0 H LYS A 74 8.865 3.466 -7.425 1.00 0.00 H new ATOM 0 HA LYS A 74 8.655 3.539 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.808 1.381 -8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.152 1.632 -10.203 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.245 3.787 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 74 10.863 3.587 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.993 2.723 -7.954 1.00 0.00 H new ATOM 0 HD3 LYS A 74 12.124 1.248 -8.331 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.683 1.162 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 74 12.456 2.100 -10.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 14.632 3.105 -11.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.610 4.134 -10.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 14.799 3.225 -9.396 1.00 0.00 H new ATOM 1121 N MET A 75 6.929 1.404 -8.506 1.00 0.00 N ATOM 1122 CA MET A 75 5.828 0.448 -8.551 1.00 0.00 C ATOM 1123 C MET A 75 4.524 1.138 -8.935 1.00 0.00 C ATOM 1124 O MET A 75 3.636 0.525 -9.529 1.00 0.00 O ATOM 1125 CB MET A 75 5.672 -0.247 -7.197 1.00 0.00 C ATOM 1126 CG MET A 75 6.944 -0.921 -6.710 1.00 0.00 C ATOM 1127 SD MET A 75 6.615 -2.346 -5.656 1.00 0.00 S ATOM 1128 CE MET A 75 5.393 -1.665 -4.538 1.00 0.00 C ATOM 0 H MET A 75 7.244 1.640 -7.565 1.00 0.00 H new ATOM 0 HA MET A 75 6.060 -0.299 -9.310 1.00 0.00 H new ATOM 0 HB2 MET A 75 5.352 0.486 -6.456 1.00 0.00 H new ATOM 0 HB3 MET A 75 4.880 -0.993 -7.270 1.00 0.00 H new ATOM 0 HG2 MET A 75 7.534 -1.238 -7.570 1.00 0.00 H new ATOM 0 HG3 MET A 75 7.546 -0.198 -6.159 1.00 0.00 H new ATOM 0 HE1 MET A 75 5.635 -1.954 -3.515 1.00 0.00 H new ATOM 0 HE2 MET A 75 5.393 -0.578 -4.618 1.00 0.00 H new ATOM 0 HE3 MET A 75 4.407 -2.048 -4.800 1.00 0.00 H new ATOM 1138 N THR A 76 4.413 2.418 -8.592 1.00 0.00 N ATOM 1139 CA THR A 76 3.216 3.191 -8.900 1.00 0.00 C ATOM 1140 C THR A 76 3.387 3.977 -10.194 1.00 0.00 C ATOM 1141 O THR A 76 2.481 4.029 -11.025 1.00 0.00 O ATOM 1142 CB THR A 76 2.870 4.168 -7.761 1.00 0.00 C ATOM 1143 OG1 THR A 76 3.735 5.308 -7.814 1.00 0.00 O ATOM 1144 CG2 THR A 76 3.002 3.489 -6.406 1.00 0.00 C ATOM 0 H THR A 76 5.138 2.941 -8.101 1.00 0.00 H new ATOM 0 HA THR A 76 2.400 2.477 -9.017 1.00 0.00 H new ATOM 0 HB THR A 76 1.836 4.489 -7.890 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.466 5.955 -7.129 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.753 4.199 -5.617 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.322 2.639 -6.357 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.026 3.142 -6.271 1.00 0.00 H new ATOM 1152 N GLY A 77 4.556 4.589 -10.360 1.00 0.00 N ATOM 1153 CA GLY A 77 4.824 5.364 -11.557 1.00 0.00 C ATOM 1154 C GLY A 77 4.945 6.848 -11.272 1.00 0.00 C ATOM 1155 O GLY A 77 5.509 7.596 -12.069 1.00 0.00 O ATOM 0 H GLY A 77 5.322 4.562 -9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 77 5.746 5.009 -12.017 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.024 5.200 -12.279 1.00 0.00 H new ATOM 1159 N GLU A 78 4.411 7.275 -10.131 1.00 0.00 N ATOM 1160 CA GLU A 78 4.460 8.680 -9.745 1.00 0.00 C ATOM 1161 C GLU A 78 5.027 8.838 -8.337 1.00 0.00 C ATOM 1162 O GLU A 78 5.434 7.862 -7.707 1.00 0.00 O ATOM 1163 CB GLU A 78 3.063 9.301 -9.816 1.00 0.00 C ATOM 1164 CG GLU A 78 2.706 9.841 -11.191 1.00 0.00 C ATOM 1165 CD GLU A 78 2.306 8.747 -12.162 1.00 0.00 C ATOM 1166 OE1 GLU A 78 3.209 8.142 -12.778 1.00 0.00 O ATOM 1167 OE2 GLU A 78 1.092 8.496 -12.307 1.00 0.00 O ATOM 0 H GLU A 78 3.940 6.669 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 78 5.117 9.199 -10.443 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.326 8.552 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.997 10.110 -9.089 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.887 10.554 -11.096 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.559 10.387 -11.595 1.00 0.00 H new ATOM 1174 N ARG A 79 5.050 10.074 -7.850 1.00 0.00 N ATOM 1175 CA ARG A 79 5.568 10.361 -6.518 1.00 0.00 C ATOM 1176 C ARG A 79 4.448 10.804 -5.582 1.00 0.00 C ATOM 1177 O ARG A 79 4.656 10.970 -4.380 1.00 0.00 O ATOM 1178 CB ARG A 79 6.646 11.445 -6.589 1.00 0.00 C ATOM 1179 CG ARG A 79 6.168 12.738 -7.229 1.00 0.00 C ATOM 1180 CD ARG A 79 5.458 13.629 -6.221 1.00 0.00 C ATOM 1181 NE ARG A 79 5.496 15.036 -6.611 1.00 0.00 N ATOM 1182 CZ ARG A 79 4.662 15.577 -7.491 1.00 0.00 C ATOM 1183 NH1 ARG A 79 3.729 14.834 -8.070 1.00 0.00 N ATOM 1184 NH2 ARG A 79 4.760 16.865 -7.794 1.00 0.00 N ATOM 0 H ARG A 79 4.716 10.893 -8.358 1.00 0.00 H new ATOM 0 HA ARG A 79 6.008 9.446 -6.122 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.002 11.658 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.497 11.063 -7.153 1.00 0.00 H new ATOM 0 HG2 ARG A 79 7.019 13.272 -7.653 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.493 12.509 -8.053 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.421 13.308 -6.121 1.00 0.00 H new ATOM 0 HD3 ARG A 79 5.923 13.512 -5.242 1.00 0.00 H new ATOM 0 HE ARG A 79 6.202 15.636 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.650 13.843 -7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.090 15.253 -8.746 1.00 0.00 H new ATOM 0 HH21 ARG A 79 5.476 17.440 -7.351 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.119 17.280 -8.470 1.00 0.00 H new ATOM 1198 N THR A 80 3.257 10.995 -6.142 1.00 0.00 N ATOM 1199 CA THR A 80 2.104 11.420 -5.359 1.00 0.00 C ATOM 1200 C THR A 80 2.009 10.641 -4.052 1.00 0.00 C ATOM 1201 O THR A 80 2.691 9.633 -3.868 1.00 0.00 O ATOM 1202 CB THR A 80 0.792 11.241 -6.147 1.00 0.00 C ATOM 1203 OG1 THR A 80 -0.326 11.293 -5.255 1.00 0.00 O ATOM 1204 CG2 THR A 80 0.788 9.917 -6.896 1.00 0.00 C ATOM 0 H THR A 80 3.066 10.862 -7.135 1.00 0.00 H new ATOM 0 HA THR A 80 2.245 12.478 -5.139 1.00 0.00 H new ATOM 0 HB THR A 80 0.716 12.051 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.156 11.180 -5.764 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.148 9.812 -7.445 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.624 9.892 -7.595 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.885 9.096 -6.185 1.00 0.00 H new ATOM 1212 N VAL A 81 1.158 11.113 -3.147 1.00 0.00 N ATOM 1213 CA VAL A 81 0.972 10.459 -1.857 1.00 0.00 C ATOM 1214 C VAL A 81 -0.256 11.005 -1.136 1.00 0.00 C ATOM 1215 O VAL A 81 -0.737 12.102 -1.420 1.00 0.00 O ATOM 1216 CB VAL A 81 2.206 10.639 -0.954 1.00 0.00 C ATOM 1217 CG1 VAL A 81 3.189 9.495 -1.158 1.00 0.00 C ATOM 1218 CG2 VAL A 81 2.873 11.979 -1.223 1.00 0.00 C ATOM 0 H VAL A 81 0.586 11.946 -3.283 1.00 0.00 H new ATOM 0 HA VAL A 81 0.830 9.397 -2.058 1.00 0.00 H new ATOM 0 HB VAL A 81 1.878 10.624 0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.055 9.639 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.705 8.551 -0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.513 9.475 -2.199 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.743 12.089 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.188 12.026 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.167 12.784 -1.021 1.00 0.00 H new ATOM 1228 N PRO A 82 -0.776 10.222 -0.179 1.00 0.00 N ATOM 1229 CA PRO A 82 -0.212 8.914 0.168 1.00 0.00 C ATOM 1230 C PRO A 82 -0.428 7.880 -0.932 1.00 0.00 C ATOM 1231 O PRO A 82 -1.017 8.179 -1.971 1.00 0.00 O ATOM 1232 CB PRO A 82 -0.981 8.520 1.431 1.00 0.00 C ATOM 1233 CG PRO A 82 -2.270 9.259 1.336 1.00 0.00 C ATOM 1234 CD PRO A 82 -1.955 10.554 0.638 1.00 0.00 C ATOM 0 HA PRO A 82 0.868 8.959 0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.144 7.443 1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.432 8.796 2.331 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.009 8.684 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.689 9.441 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.789 10.892 0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.740 11.352 1.349 1.00 0.00 H new ATOM 1242 N ARG A 83 0.053 6.663 -0.696 1.00 0.00 N ATOM 1243 CA ARG A 83 -0.088 5.585 -1.667 1.00 0.00 C ATOM 1244 C ARG A 83 -0.988 4.479 -1.125 1.00 0.00 C ATOM 1245 O ARG A 83 -0.637 3.796 -0.163 1.00 0.00 O ATOM 1246 CB ARG A 83 1.284 5.011 -2.026 1.00 0.00 C ATOM 1247 CG ARG A 83 2.009 5.795 -3.108 1.00 0.00 C ATOM 1248 CD ARG A 83 3.518 5.683 -2.961 1.00 0.00 C ATOM 1249 NE ARG A 83 4.226 6.406 -4.015 1.00 0.00 N ATOM 1250 CZ ARG A 83 5.466 6.864 -3.887 1.00 0.00 C ATOM 1251 NH1 ARG A 83 6.132 6.675 -2.756 1.00 0.00 N ATOM 1252 NH2 ARG A 83 6.042 7.512 -4.891 1.00 0.00 N ATOM 0 H ARG A 83 0.543 6.400 0.159 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.549 5.997 -2.565 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.904 4.987 -1.130 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.162 3.980 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.710 5.426 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.714 6.843 -3.059 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.818 6.074 -1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.808 4.632 -2.985 1.00 0.00 H new ATOM 0 HE ARG A 83 3.741 6.568 -4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.692 6.177 -1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.084 7.028 -2.660 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.532 7.659 -5.762 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.994 7.863 -4.792 1.00 0.00 H new ATOM 1266 N ILE A 84 -2.148 4.309 -1.750 1.00 0.00 N ATOM 1267 CA ILE A 84 -3.098 3.285 -1.330 1.00 0.00 C ATOM 1268 C ILE A 84 -3.060 2.083 -2.267 1.00 0.00 C ATOM 1269 O ILE A 84 -3.153 2.229 -3.486 1.00 0.00 O ATOM 1270 CB ILE A 84 -4.535 3.838 -1.279 1.00 0.00 C ATOM 1271 CG1 ILE A 84 -4.604 5.055 -0.355 1.00 0.00 C ATOM 1272 CG2 ILE A 84 -5.501 2.758 -0.815 1.00 0.00 C ATOM 1273 CD1 ILE A 84 -4.349 6.367 -1.064 1.00 0.00 C ATOM 0 H ILE A 84 -2.453 4.866 -2.548 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.803 2.971 -0.329 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.824 4.151 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.587 5.090 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.873 4.936 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.512 3.163 -0.784 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.468 1.918 -1.509 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.216 2.418 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.414 7.186 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.354 6.352 -1.510 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.095 6.509 -1.846 1.00 0.00 H new ATOM 1285 N PHE A 85 -2.925 0.894 -1.690 1.00 0.00 N ATOM 1286 CA PHE A 85 -2.876 -0.335 -2.473 1.00 0.00 C ATOM 1287 C PHE A 85 -3.927 -1.330 -1.990 1.00 0.00 C ATOM 1288 O PHE A 85 -3.908 -1.760 -0.837 1.00 0.00 O ATOM 1289 CB PHE A 85 -1.484 -0.964 -2.388 1.00 0.00 C ATOM 1290 CG PHE A 85 -0.479 -0.321 -3.300 1.00 0.00 C ATOM 1291 CD1 PHE A 85 -0.139 1.013 -3.147 1.00 0.00 C ATOM 1292 CD2 PHE A 85 0.127 -1.051 -4.309 1.00 0.00 C ATOM 1293 CE1 PHE A 85 0.785 1.608 -3.985 1.00 0.00 C ATOM 1294 CE2 PHE A 85 1.053 -0.462 -5.150 1.00 0.00 C ATOM 1295 CZ PHE A 85 1.383 0.869 -4.987 1.00 0.00 C ATOM 0 H PHE A 85 -2.848 0.755 -0.682 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.090 -0.083 -3.512 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.126 -0.897 -1.361 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.558 -2.024 -2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.601 1.595 -2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.127 -2.093 -4.440 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.039 2.650 -3.856 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.518 -1.042 -5.933 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.107 1.331 -5.642 1.00 0.00 H new ATOM 1305 N VAL A 86 -4.845 -1.692 -2.881 1.00 0.00 N ATOM 1306 CA VAL A 86 -5.904 -2.637 -2.547 1.00 0.00 C ATOM 1307 C VAL A 86 -5.621 -4.012 -3.141 1.00 0.00 C ATOM 1308 O VAL A 86 -5.666 -4.196 -4.357 1.00 0.00 O ATOM 1309 CB VAL A 86 -7.274 -2.145 -3.050 1.00 0.00 C ATOM 1310 CG1 VAL A 86 -8.350 -3.184 -2.774 1.00 0.00 C ATOM 1311 CG2 VAL A 86 -7.631 -0.813 -2.407 1.00 0.00 C ATOM 0 H VAL A 86 -4.876 -1.345 -3.840 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.930 -2.712 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.213 -1.998 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.311 -2.818 -3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.099 -4.113 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.413 -3.367 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.602 -0.480 -2.774 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.673 -0.931 -1.324 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.874 -0.072 -2.662 1.00 0.00 H new ATOM 1321 N ASN A 87 -5.330 -4.977 -2.274 1.00 0.00 N ATOM 1322 CA ASN A 87 -5.039 -6.337 -2.713 1.00 0.00 C ATOM 1323 C ASN A 87 -3.780 -6.373 -3.573 1.00 0.00 C ATOM 1324 O ASN A 87 -3.685 -7.153 -4.520 1.00 0.00 O ATOM 1325 CB ASN A 87 -6.224 -6.906 -3.496 1.00 0.00 C ATOM 1326 CG ASN A 87 -6.244 -8.422 -3.493 1.00 0.00 C ATOM 1327 OD1 ASN A 87 -5.198 -9.068 -3.555 1.00 0.00 O ATOM 1328 ND2 ASN A 87 -7.439 -8.998 -3.421 1.00 0.00 N ATOM 0 H ASN A 87 -5.290 -4.842 -1.264 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.869 -6.950 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -7.153 -6.532 -3.066 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.182 -6.548 -4.525 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.515 -10.015 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.280 -8.423 -3.371 1.00 0.00 H new ATOM 1335 N GLY A 88 -2.815 -5.524 -3.237 1.00 0.00 N ATOM 1336 CA GLY A 88 -1.574 -5.475 -3.988 1.00 0.00 C ATOM 1337 C GLY A 88 -1.747 -4.838 -5.352 1.00 0.00 C ATOM 1338 O GLY A 88 -1.242 -5.347 -6.353 1.00 0.00 O ATOM 0 H GLY A 88 -2.870 -4.868 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.831 -4.915 -3.420 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.186 -6.486 -4.109 1.00 0.00 H new ATOM 1342 N THR A 89 -2.465 -3.720 -5.395 1.00 0.00 N ATOM 1343 CA THR A 89 -2.707 -3.013 -6.647 1.00 0.00 C ATOM 1344 C THR A 89 -2.954 -1.529 -6.402 1.00 0.00 C ATOM 1345 O THR A 89 -3.522 -1.145 -5.380 1.00 0.00 O ATOM 1346 CB THR A 89 -3.911 -3.605 -7.402 1.00 0.00 C ATOM 1347 OG1 THR A 89 -3.561 -4.874 -7.966 1.00 0.00 O ATOM 1348 CG2 THR A 89 -4.373 -2.665 -8.506 1.00 0.00 C ATOM 0 H THR A 89 -2.890 -3.284 -4.576 1.00 0.00 H new ATOM 0 HA THR A 89 -1.811 -3.133 -7.256 1.00 0.00 H new ATOM 0 HB THR A 89 -4.727 -3.736 -6.692 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.681 -5.149 -7.633 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.225 -3.105 -9.025 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.667 -1.710 -8.071 1.00 0.00 H new ATOM 0 HG23 THR A 89 -3.559 -2.507 -9.213 1.00 0.00 H new ATOM 1356 N PHE A 90 -2.524 -0.699 -7.346 1.00 0.00 N ATOM 1357 CA PHE A 90 -2.698 0.744 -7.233 1.00 0.00 C ATOM 1358 C PHE A 90 -4.015 1.184 -7.865 1.00 0.00 C ATOM 1359 O PHE A 90 -4.165 1.167 -9.088 1.00 0.00 O ATOM 1360 CB PHE A 90 -1.530 1.475 -7.899 1.00 0.00 C ATOM 1361 CG PHE A 90 -1.503 2.949 -7.612 1.00 0.00 C ATOM 1362 CD1 PHE A 90 -2.272 3.827 -8.358 1.00 0.00 C ATOM 1363 CD2 PHE A 90 -0.710 3.456 -6.596 1.00 0.00 C ATOM 1364 CE1 PHE A 90 -2.248 5.184 -8.097 1.00 0.00 C ATOM 1365 CE2 PHE A 90 -0.682 4.812 -6.329 1.00 0.00 C ATOM 1366 CZ PHE A 90 -1.453 5.677 -7.080 1.00 0.00 C ATOM 0 H PHE A 90 -2.052 -1.001 -8.198 1.00 0.00 H new ATOM 0 HA PHE A 90 -2.720 1.000 -6.174 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.594 1.030 -7.562 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.585 1.324 -8.977 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.897 3.447 -9.152 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.106 2.784 -6.005 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.850 5.859 -8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -0.058 5.194 -5.534 1.00 0.00 H new ATOM 0 HZ PHE A 90 -1.435 6.737 -6.873 1.00 0.00 H new ATOM 1376 N ILE A 91 -4.966 1.577 -7.025 1.00 0.00 N ATOM 1377 CA ILE A 91 -6.270 2.022 -7.501 1.00 0.00 C ATOM 1378 C ILE A 91 -6.370 3.544 -7.490 1.00 0.00 C ATOM 1379 O ILE A 91 -7.216 4.126 -8.167 1.00 0.00 O ATOM 1380 CB ILE A 91 -7.411 1.438 -6.647 1.00 0.00 C ATOM 1381 CG1 ILE A 91 -7.466 2.135 -5.286 1.00 0.00 C ATOM 1382 CG2 ILE A 91 -7.228 -0.062 -6.473 1.00 0.00 C ATOM 1383 CD1 ILE A 91 -6.322 1.763 -4.369 1.00 0.00 C ATOM 0 H ILE A 91 -4.858 1.596 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.372 1.661 -8.524 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.356 1.611 -7.162 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.462 3.214 -5.439 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.408 1.886 -4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.042 -0.460 -5.867 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -7.233 -0.545 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.277 -0.257 -5.977 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -6.426 2.295 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.338 0.689 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.377 2.037 -4.837 1.00 0.00 H new ATOM 1395 N GLY A 92 -5.496 4.183 -6.718 1.00 0.00 N ATOM 1396 CA GLY A 92 -5.501 5.632 -6.635 1.00 0.00 C ATOM 1397 C GLY A 92 -5.025 6.137 -5.287 1.00 0.00 C ATOM 1398 O GLY A 92 -4.844 5.357 -4.353 1.00 0.00 O ATOM 0 H GLY A 92 -4.785 3.723 -6.149 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.862 6.040 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.510 6.000 -6.822 1.00 0.00 H new ATOM 1402 N GLY A 93 -4.819 7.447 -5.186 1.00 0.00 N ATOM 1403 CA GLY A 93 -4.361 8.032 -3.940 1.00 0.00 C ATOM 1404 C GLY A 93 -5.504 8.537 -3.082 1.00 0.00 C ATOM 1405 O GLY A 93 -6.636 8.073 -3.208 1.00 0.00 O ATOM 0 H GLY A 93 -4.961 8.113 -5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.792 7.289 -3.381 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.682 8.857 -4.157 1.00 0.00 H new ATOM 1409 N ALA A 94 -5.207 9.491 -2.205 1.00 0.00 N ATOM 1410 CA ALA A 94 -6.218 10.060 -1.323 1.00 0.00 C ATOM 1411 C ALA A 94 -7.495 10.386 -2.091 1.00 0.00 C ATOM 1412 O ALA A 94 -8.547 9.795 -1.847 1.00 0.00 O ATOM 1413 CB ALA A 94 -5.679 11.306 -0.637 1.00 0.00 C ATOM 0 H ALA A 94 -4.274 9.886 -2.087 1.00 0.00 H new ATOM 0 HA ALA A 94 -6.462 9.318 -0.563 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.445 11.720 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.799 11.046 -0.048 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.406 12.046 -1.389 1.00 0.00 H new ATOM 1419 N THR A 95 -7.396 11.333 -3.019 1.00 0.00 N ATOM 1420 CA THR A 95 -8.543 11.739 -3.821 1.00 0.00 C ATOM 1421 C THR A 95 -9.177 10.542 -4.521 1.00 0.00 C ATOM 1422 O THR A 95 -10.280 10.120 -4.173 1.00 0.00 O ATOM 1423 CB THR A 95 -8.147 12.787 -4.878 1.00 0.00 C ATOM 1424 OG1 THR A 95 -7.155 13.671 -4.344 1.00 0.00 O ATOM 1425 CG2 THR A 95 -9.359 13.588 -5.327 1.00 0.00 C ATOM 0 H THR A 95 -6.533 11.833 -3.233 1.00 0.00 H new ATOM 0 HA THR A 95 -9.267 12.180 -3.136 1.00 0.00 H new ATOM 0 HB THR A 95 -7.738 12.263 -5.742 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.908 14.333 -5.023 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.054 14.322 -6.073 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.099 12.916 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.793 14.102 -4.470 1.00 0.00 H new ATOM 1433 N ASP A 96 -8.473 9.999 -5.508 1.00 0.00 N ATOM 1434 CA ASP A 96 -8.966 8.849 -6.256 1.00 0.00 C ATOM 1435 C ASP A 96 -9.610 7.829 -5.322 1.00 0.00 C ATOM 1436 O ASP A 96 -10.825 7.627 -5.348 1.00 0.00 O ATOM 1437 CB ASP A 96 -7.825 8.194 -7.037 1.00 0.00 C ATOM 1438 CG ASP A 96 -7.575 8.870 -8.371 1.00 0.00 C ATOM 1439 OD1 ASP A 96 -7.023 9.990 -8.374 1.00 0.00 O ATOM 1440 OD2 ASP A 96 -7.932 8.279 -9.412 1.00 0.00 O ATOM 0 H ASP A 96 -7.559 10.337 -5.809 1.00 0.00 H new ATOM 0 HA ASP A 96 -9.722 9.201 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -6.914 8.227 -6.440 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.059 7.143 -7.204 1.00 0.00 H new ATOM 1445 N THR A 97 -8.788 7.187 -4.498 1.00 0.00 N ATOM 1446 CA THR A 97 -9.277 6.186 -3.558 1.00 0.00 C ATOM 1447 C THR A 97 -10.597 6.619 -2.931 1.00 0.00 C ATOM 1448 O THR A 97 -11.524 5.819 -2.796 1.00 0.00 O ATOM 1449 CB THR A 97 -8.253 5.920 -2.438 1.00 0.00 C ATOM 1450 OG1 THR A 97 -7.035 5.416 -2.998 1.00 0.00 O ATOM 1451 CG2 THR A 97 -8.803 4.925 -1.428 1.00 0.00 C ATOM 0 H THR A 97 -7.781 7.342 -4.463 1.00 0.00 H new ATOM 0 HA THR A 97 -9.431 5.268 -4.125 1.00 0.00 H new ATOM 0 HB THR A 97 -8.054 6.861 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.494 6.163 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.063 4.753 -0.647 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.714 5.325 -0.983 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.027 3.984 -1.930 1.00 0.00 H new ATOM 1459 N HIS A 98 -10.678 7.890 -2.550 1.00 0.00 N ATOM 1460 CA HIS A 98 -11.887 8.430 -1.939 1.00 0.00 C ATOM 1461 C HIS A 98 -13.046 8.428 -2.932 1.00 0.00 C ATOM 1462 O HIS A 98 -14.144 7.968 -2.618 1.00 0.00 O ATOM 1463 CB HIS A 98 -11.637 9.851 -1.432 1.00 0.00 C ATOM 1464 CG HIS A 98 -12.844 10.488 -0.815 1.00 0.00 C ATOM 1465 ND1 HIS A 98 -13.824 9.769 -0.163 1.00 0.00 N ATOM 1466 CD2 HIS A 98 -13.226 11.785 -0.753 1.00 0.00 C ATOM 1467 CE1 HIS A 98 -14.757 10.597 0.273 1.00 0.00 C ATOM 1468 NE2 HIS A 98 -14.418 11.826 -0.072 1.00 0.00 N ATOM 0 H HIS A 98 -9.920 8.565 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 98 -12.153 7.793 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -10.832 9.829 -0.697 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -11.294 10.469 -2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -12.693 12.630 -1.163 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -15.646 10.316 0.819 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -14.954 12.669 0.134 1.00 0.00 H new ATOM 1476 N ARG A 99 -12.793 8.946 -4.129 1.00 0.00 N ATOM 1477 CA ARG A 99 -13.815 9.005 -5.167 1.00 0.00 C ATOM 1478 C ARG A 99 -14.316 7.607 -5.518 1.00 0.00 C ATOM 1479 O ARG A 99 -15.509 7.401 -5.741 1.00 0.00 O ATOM 1480 CB ARG A 99 -13.263 9.690 -6.418 1.00 0.00 C ATOM 1481 CG ARG A 99 -14.259 9.760 -7.564 1.00 0.00 C ATOM 1482 CD ARG A 99 -14.145 8.549 -8.476 1.00 0.00 C ATOM 1483 NE ARG A 99 -14.872 8.737 -9.729 1.00 0.00 N ATOM 1484 CZ ARG A 99 -14.474 9.559 -10.693 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.362 10.266 -10.550 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -15.190 9.676 -11.805 1.00 0.00 N ATOM 0 H ARG A 99 -11.889 9.331 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 99 -14.653 9.586 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.948 10.701 -6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -12.374 9.155 -6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.271 9.822 -7.164 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -14.088 10.669 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -13.094 8.356 -8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -14.532 7.670 -7.961 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.732 8.208 -9.871 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.809 10.180 -9.697 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -13.059 10.896 -11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.047 9.134 -11.919 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -14.883 10.308 -12.545 1.00 0.00 H new ATOM 1500 N LEU A 100 -13.396 6.650 -5.566 1.00 0.00 N ATOM 1501 CA LEU A 100 -13.743 5.271 -5.891 1.00 0.00 C ATOM 1502 C LEU A 100 -14.854 4.760 -4.979 1.00 0.00 C ATOM 1503 O LEU A 100 -15.874 4.256 -5.449 1.00 0.00 O ATOM 1504 CB LEU A 100 -12.511 4.372 -5.766 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.396 4.617 -6.783 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -10.196 3.732 -6.482 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.900 4.372 -8.198 1.00 0.00 C ATOM 0 H LEU A 100 -12.404 6.804 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 100 -14.102 5.245 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.096 4.495 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.833 3.334 -5.853 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.083 5.658 -6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.412 3.920 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.820 3.956 -5.484 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.495 2.685 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.093 4.551 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.241 3.341 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.728 5.048 -8.412 1.00 0.00 H new ATOM 1519 N HIS A 101 -14.650 4.895 -3.673 1.00 0.00 N ATOM 1520 CA HIS A 101 -15.636 4.450 -2.695 1.00 0.00 C ATOM 1521 C HIS A 101 -16.987 5.114 -2.944 1.00 0.00 C ATOM 1522 O HIS A 101 -18.036 4.490 -2.785 1.00 0.00 O ATOM 1523 CB HIS A 101 -15.155 4.761 -1.277 1.00 0.00 C ATOM 1524 CG HIS A 101 -16.071 4.248 -0.208 1.00 0.00 C ATOM 1525 ND1 HIS A 101 -16.232 2.906 0.065 1.00 0.00 N ATOM 1526 CD2 HIS A 101 -16.876 4.906 0.659 1.00 0.00 C ATOM 1527 CE1 HIS A 101 -17.098 2.761 1.052 1.00 0.00 C ATOM 1528 NE2 HIS A 101 -17.503 3.959 1.431 1.00 0.00 N ATOM 0 H HIS A 101 -13.811 5.309 -3.267 1.00 0.00 H new ATOM 0 HA HIS A 101 -15.756 3.372 -2.802 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -14.165 4.328 -1.135 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -15.049 5.840 -1.166 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -17.002 5.976 0.730 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -17.420 1.822 1.477 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -18.173 4.150 2.176 1.00 0.00 H new ATOM 1536 N LYS A 102 -16.953 6.383 -3.335 1.00 0.00 N ATOM 1537 CA LYS A 102 -18.174 7.133 -3.607 1.00 0.00 C ATOM 1538 C LYS A 102 -18.983 6.471 -4.718 1.00 0.00 C ATOM 1539 O LYS A 102 -20.158 6.153 -4.537 1.00 0.00 O ATOM 1540 CB LYS A 102 -17.836 8.574 -3.996 1.00 0.00 C ATOM 1541 CG LYS A 102 -17.219 9.380 -2.867 1.00 0.00 C ATOM 1542 CD LYS A 102 -18.278 10.116 -2.063 1.00 0.00 C ATOM 1543 CE LYS A 102 -18.927 9.205 -1.032 1.00 0.00 C ATOM 1544 NZ LYS A 102 -19.595 9.980 0.050 1.00 0.00 N ATOM 0 H LYS A 102 -16.093 6.914 -3.471 1.00 0.00 H new ATOM 0 HA LYS A 102 -18.776 7.141 -2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -17.147 8.561 -4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -18.745 9.073 -4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -16.658 8.716 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.508 10.098 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.826 10.972 -1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -19.041 10.507 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -19.658 8.563 -1.523 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -18.171 8.552 -0.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -20.025 9.324 0.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.893 10.574 0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -20.334 10.585 -0.362 1.00 0.00 H new ATOM 1558 N GLU A 103 -18.345 6.265 -5.866 1.00 0.00 N ATOM 1559 CA GLU A 103 -19.006 5.640 -7.005 1.00 0.00 C ATOM 1560 C GLU A 103 -19.298 4.169 -6.725 1.00 0.00 C ATOM 1561 O GLU A 103 -20.235 3.595 -7.279 1.00 0.00 O ATOM 1562 CB GLU A 103 -18.140 5.770 -8.260 1.00 0.00 C ATOM 1563 CG GLU A 103 -17.913 7.207 -8.698 1.00 0.00 C ATOM 1564 CD GLU A 103 -17.735 7.339 -10.198 1.00 0.00 C ATOM 1565 OE1 GLU A 103 -16.679 6.912 -10.709 1.00 0.00 O ATOM 1566 OE2 GLU A 103 -18.652 7.869 -10.860 1.00 0.00 O ATOM 0 H GLU A 103 -17.372 6.522 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.952 6.155 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -17.175 5.299 -8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.612 5.221 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.759 7.817 -8.381 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.030 7.601 -8.195 1.00 0.00 H new ATOM 1573 N GLY A 104 -18.489 3.565 -5.861 1.00 0.00 N ATOM 1574 CA GLY A 104 -18.676 2.166 -5.522 1.00 0.00 C ATOM 1575 C GLY A 104 -17.715 1.257 -6.262 1.00 0.00 C ATOM 1576 O GLY A 104 -18.070 0.140 -6.638 1.00 0.00 O ATOM 0 H GLY A 104 -17.707 4.019 -5.389 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.542 2.034 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -19.700 1.873 -5.754 1.00 0.00 H new ATOM 1580 N LYS A 105 -16.494 1.736 -6.473 1.00 0.00 N ATOM 1581 CA LYS A 105 -15.477 0.960 -7.173 1.00 0.00 C ATOM 1582 C LYS A 105 -14.319 0.615 -6.243 1.00 0.00 C ATOM 1583 O LYS A 105 -13.280 0.122 -6.684 1.00 0.00 O ATOM 1584 CB LYS A 105 -14.958 1.737 -8.385 1.00 0.00 C ATOM 1585 CG LYS A 105 -16.057 2.210 -9.321 1.00 0.00 C ATOM 1586 CD LYS A 105 -15.553 3.276 -10.279 1.00 0.00 C ATOM 1587 CE LYS A 105 -16.687 3.867 -11.102 1.00 0.00 C ATOM 1588 NZ LYS A 105 -17.005 3.030 -12.292 1.00 0.00 N ATOM 0 H LYS A 105 -16.184 2.659 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 105 -15.935 0.031 -7.513 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -14.392 2.601 -8.037 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.265 1.105 -8.941 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -16.443 1.363 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -16.887 2.607 -8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.059 4.068 -9.716 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.806 2.844 -10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -17.576 3.964 -10.478 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -16.415 4.871 -11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -17.783 3.467 -12.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -16.165 2.958 -12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -17.290 2.079 -11.982 1.00 0.00 H new ATOM 1602 N LEU A 106 -14.503 0.877 -4.954 1.00 0.00 N ATOM 1603 CA LEU A 106 -13.474 0.593 -3.960 1.00 0.00 C ATOM 1604 C LEU A 106 -13.885 -0.575 -3.069 1.00 0.00 C ATOM 1605 O LEU A 106 -13.111 -1.509 -2.855 1.00 0.00 O ATOM 1606 CB LEU A 106 -13.207 1.833 -3.105 1.00 0.00 C ATOM 1607 CG LEU A 106 -11.960 1.782 -2.221 1.00 0.00 C ATOM 1608 CD1 LEU A 106 -11.501 3.188 -1.865 1.00 0.00 C ATOM 1609 CD2 LEU A 106 -12.231 0.973 -0.961 1.00 0.00 C ATOM 0 H LEU A 106 -15.356 1.286 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 106 -12.560 0.319 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -13.124 2.695 -3.767 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -14.074 2.003 -2.467 1.00 0.00 H new ATOM 0 HG LEU A 106 -11.163 1.291 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.613 3.132 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -11.266 3.736 -2.777 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.295 3.705 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.332 0.948 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -13.043 1.435 -0.400 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -12.512 -0.044 -1.235 1.00 0.00 H new ATOM 1621 N LEU A 107 -15.108 -0.517 -2.553 1.00 0.00 N ATOM 1622 CA LEU A 107 -15.623 -1.571 -1.686 1.00 0.00 C ATOM 1623 C LEU A 107 -15.580 -2.924 -2.390 1.00 0.00 C ATOM 1624 O LEU A 107 -15.183 -3.938 -1.815 1.00 0.00 O ATOM 1625 CB LEU A 107 -17.057 -1.251 -1.259 1.00 0.00 C ATOM 1626 CG LEU A 107 -17.500 -1.827 0.086 1.00 0.00 C ATOM 1627 CD1 LEU A 107 -17.940 -3.274 -0.072 1.00 0.00 C ATOM 1628 CD2 LEU A 107 -16.379 -1.718 1.109 1.00 0.00 C ATOM 0 H LEU A 107 -15.761 0.248 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.989 -1.622 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.171 -0.168 -1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -17.735 -1.618 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 107 -18.350 -1.247 0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -18.252 -3.667 0.896 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.775 -3.326 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.109 -3.867 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -16.713 -2.133 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.509 -2.273 0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -16.111 -0.670 1.244 1.00 0.00 H new ATOM 1640 N PRO A 108 -15.996 -2.942 -3.665 1.00 0.00 N ATOM 1641 CA PRO A 108 -16.012 -4.163 -4.475 1.00 0.00 C ATOM 1642 C PRO A 108 -14.700 -4.936 -4.386 1.00 0.00 C ATOM 1643 O PRO A 108 -14.689 -6.167 -4.420 1.00 0.00 O ATOM 1644 CB PRO A 108 -16.230 -3.642 -5.898 1.00 0.00 C ATOM 1645 CG PRO A 108 -16.937 -2.343 -5.721 1.00 0.00 C ATOM 1646 CD PRO A 108 -16.482 -1.771 -4.414 1.00 0.00 C ATOM 0 HA PRO A 108 -16.777 -4.863 -4.141 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -15.283 -3.509 -6.421 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -16.825 -4.339 -6.488 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -16.705 -1.663 -6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -18.017 -2.489 -5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -15.694 -1.031 -4.554 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -17.298 -1.272 -3.891 1.00 0.00 H new ATOM 1654 N LEU A 109 -13.596 -4.206 -4.270 1.00 0.00 N ATOM 1655 CA LEU A 109 -12.278 -4.823 -4.175 1.00 0.00 C ATOM 1656 C LEU A 109 -11.928 -5.139 -2.725 1.00 0.00 C ATOM 1657 O LEU A 109 -11.201 -6.092 -2.444 1.00 0.00 O ATOM 1658 CB LEU A 109 -11.217 -3.900 -4.778 1.00 0.00 C ATOM 1659 CG LEU A 109 -11.566 -3.264 -6.124 1.00 0.00 C ATOM 1660 CD1 LEU A 109 -10.645 -2.089 -6.414 1.00 0.00 C ATOM 1661 CD2 LEU A 109 -11.484 -4.297 -7.239 1.00 0.00 C ATOM 0 H LEU A 109 -13.588 -3.186 -4.239 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.300 -5.757 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -11.011 -3.102 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.295 -4.468 -4.896 1.00 0.00 H new ATOM 0 HG LEU A 109 -12.590 -2.893 -6.075 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -10.908 -1.649 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.754 -1.339 -5.630 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -9.612 -2.435 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -11.735 -3.827 -8.190 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.472 -4.699 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -12.186 -5.106 -7.038 1.00 0.00 H new ATOM 1673 N VAL A 110 -12.453 -4.335 -1.806 1.00 0.00 N ATOM 1674 CA VAL A 110 -12.199 -4.531 -0.383 1.00 0.00 C ATOM 1675 C VAL A 110 -12.642 -5.918 0.068 1.00 0.00 C ATOM 1676 O VAL A 110 -11.846 -6.694 0.598 1.00 0.00 O ATOM 1677 CB VAL A 110 -12.924 -3.471 0.467 1.00 0.00 C ATOM 1678 CG1 VAL A 110 -12.814 -3.808 1.947 1.00 0.00 C ATOM 1679 CG2 VAL A 110 -12.362 -2.086 0.184 1.00 0.00 C ATOM 0 H VAL A 110 -13.057 -3.542 -2.021 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.124 -4.431 -0.236 1.00 0.00 H new ATOM 0 HB VAL A 110 -13.980 -3.472 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -13.332 -3.048 2.533 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -13.268 -4.782 2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -11.764 -3.836 2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -12.886 -1.349 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -11.299 -2.068 0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -12.497 -1.847 -0.871 1.00 0.00 H new ATOM 1689 N HIS A 111 -13.918 -6.225 -0.147 1.00 0.00 N ATOM 1690 CA HIS A 111 -14.467 -7.521 0.236 1.00 0.00 C ATOM 1691 C HIS A 111 -13.582 -8.657 -0.268 1.00 0.00 C ATOM 1692 O HIS A 111 -13.357 -9.640 0.438 1.00 0.00 O ATOM 1693 CB HIS A 111 -15.885 -7.680 -0.313 1.00 0.00 C ATOM 1694 CG HIS A 111 -16.908 -6.873 0.425 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -18.084 -6.441 -0.150 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -16.927 -6.422 1.701 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -18.781 -5.757 0.740 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -18.101 -5.731 1.871 1.00 0.00 N ATOM 0 H HIS A 111 -14.590 -5.594 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 111 -14.500 -7.567 1.325 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -15.894 -7.389 -1.363 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -16.166 -8.732 -0.272 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -16.161 -6.577 2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -19.744 -5.297 0.571 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -18.399 -5.272 2.732 1.00 0.00 H new ATOM 1706 N GLN A 112 -13.086 -8.515 -1.493 1.00 0.00 N ATOM 1707 CA GLN A 112 -12.228 -9.531 -2.091 1.00 0.00 C ATOM 1708 C GLN A 112 -11.107 -9.928 -1.136 1.00 0.00 C ATOM 1709 O GLN A 112 -10.615 -11.056 -1.174 1.00 0.00 O ATOM 1710 CB GLN A 112 -11.636 -9.019 -3.406 1.00 0.00 C ATOM 1711 CG GLN A 112 -12.686 -8.635 -4.436 1.00 0.00 C ATOM 1712 CD GLN A 112 -12.101 -8.446 -5.822 1.00 0.00 C ATOM 1713 OE1 GLN A 112 -11.332 -7.515 -6.062 1.00 0.00 O ATOM 1714 NE2 GLN A 112 -12.464 -9.331 -6.743 1.00 0.00 N ATOM 0 H GLN A 112 -13.263 -7.707 -2.090 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.837 -10.412 -2.293 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.008 -8.153 -3.199 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.989 -9.788 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -13.454 -9.408 -4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -13.176 -7.713 -4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.104 -10.087 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -12.103 -9.255 -7.694 1.00 0.00 H new ATOM 1723 N CYS A 113 -10.707 -8.993 -0.280 1.00 0.00 N ATOM 1724 CA CYS A 113 -9.643 -9.244 0.685 1.00 0.00 C ATOM 1725 C CYS A 113 -9.886 -10.551 1.435 1.00 0.00 C ATOM 1726 O CYS A 113 -8.954 -11.312 1.695 1.00 0.00 O ATOM 1727 CB CYS A 113 -9.543 -8.085 1.678 1.00 0.00 C ATOM 1728 SG CYS A 113 -8.595 -8.475 3.184 1.00 0.00 S ATOM 0 H CYS A 113 -11.104 -8.054 -0.235 1.00 0.00 H new ATOM 0 HA CYS A 113 -8.704 -9.328 0.139 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -9.079 -7.233 1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -10.549 -7.778 1.964 1.00 0.00 H new ATOM 1733 N TYR A 114 -11.144 -10.804 1.779 1.00 0.00 N ATOM 1734 CA TYR A 114 -11.510 -12.017 2.500 1.00 0.00 C ATOM 1735 C TYR A 114 -12.717 -12.692 1.854 1.00 0.00 C ATOM 1736 O TYR A 114 -13.807 -12.719 2.426 1.00 0.00 O ATOM 1737 CB TYR A 114 -11.816 -11.692 3.963 1.00 0.00 C ATOM 1738 CG TYR A 114 -13.051 -10.840 4.149 1.00 0.00 C ATOM 1739 CD1 TYR A 114 -13.110 -9.549 3.639 1.00 0.00 C ATOM 1740 CD2 TYR A 114 -14.157 -11.325 4.836 1.00 0.00 C ATOM 1741 CE1 TYR A 114 -14.236 -8.766 3.807 1.00 0.00 C ATOM 1742 CE2 TYR A 114 -15.287 -10.550 5.008 1.00 0.00 C ATOM 1743 CZ TYR A 114 -15.322 -9.271 4.492 1.00 0.00 C ATOM 1744 OH TYR A 114 -16.446 -8.495 4.662 1.00 0.00 O ATOM 0 H TYR A 114 -11.927 -10.185 1.570 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.665 -12.705 2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -11.941 -12.624 4.515 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -10.960 -11.176 4.398 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -12.262 -9.151 3.102 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -14.133 -12.325 5.242 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -14.266 -7.764 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -16.139 -10.943 5.543 1.00 0.00 H new ATOM 0 HH TYR A 114 -17.119 -9.000 5.165 1.00 0.00 H new ATOM 1754 N LEU A 115 -12.512 -13.236 0.660 1.00 0.00 N ATOM 1755 CA LEU A 115 -13.582 -13.912 -0.066 1.00 0.00 C ATOM 1756 C LEU A 115 -13.067 -15.182 -0.736 1.00 0.00 C ATOM 1757 O LEU A 115 -11.861 -15.427 -0.782 1.00 0.00 O ATOM 1758 CB LEU A 115 -14.185 -12.976 -1.114 1.00 0.00 C ATOM 1759 CG LEU A 115 -15.251 -12.003 -0.611 1.00 0.00 C ATOM 1760 CD1 LEU A 115 -15.675 -11.054 -1.722 1.00 0.00 C ATOM 1761 CD2 LEU A 115 -16.453 -12.762 -0.068 1.00 0.00 C ATOM 0 H LEU A 115 -11.615 -13.223 0.174 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.355 -14.190 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.377 -12.398 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.621 -13.584 -1.907 1.00 0.00 H new ATOM 0 HG LEU A 115 -14.823 -11.413 0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -16.434 -10.369 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -14.811 -10.485 -2.064 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -16.084 -11.627 -2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -17.202 -12.053 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -16.882 -13.378 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -16.138 -13.399 0.758 1.00 0.00 H new ATOM 1773 N LYS A 116 -13.988 -15.985 -1.258 1.00 0.00 N ATOM 1774 CA LYS A 116 -13.629 -17.228 -1.930 1.00 0.00 C ATOM 1775 C LYS A 116 -12.805 -18.125 -1.011 1.00 0.00 C ATOM 1776 O LYS A 116 -11.739 -18.608 -1.391 1.00 0.00 O ATOM 1777 CB LYS A 116 -12.842 -16.931 -3.209 1.00 0.00 C ATOM 1778 CG LYS A 116 -12.945 -18.028 -4.254 1.00 0.00 C ATOM 1779 CD LYS A 116 -12.652 -17.499 -5.648 1.00 0.00 C ATOM 1780 CE LYS A 116 -11.156 -17.364 -5.891 1.00 0.00 C ATOM 1781 NZ LYS A 116 -10.861 -16.791 -7.233 1.00 0.00 N ATOM 0 H LYS A 116 -14.990 -15.797 -1.228 1.00 0.00 H new ATOM 0 HA LYS A 116 -14.550 -17.751 -2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -13.202 -15.996 -3.639 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.793 -16.781 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.245 -18.828 -4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -13.945 -18.461 -4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.083 -18.170 -6.391 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.132 -16.529 -5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -10.719 -16.728 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -10.684 -18.343 -5.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -9.831 -16.715 -7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -11.256 -17.410 -7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -11.289 -15.846 -7.309 1.00 0.00 H new ATOM 1795 N LYS A 117 -13.308 -18.344 0.199 1.00 0.00 N ATOM 1796 CA LYS A 117 -12.621 -19.186 1.172 1.00 0.00 C ATOM 1797 C LYS A 117 -13.302 -20.545 1.293 1.00 0.00 C ATOM 1798 O LYS A 117 -14.226 -20.719 2.087 1.00 0.00 O ATOM 1799 CB LYS A 117 -12.587 -18.497 2.538 1.00 0.00 C ATOM 1800 CG LYS A 117 -11.781 -17.210 2.551 1.00 0.00 C ATOM 1801 CD LYS A 117 -11.196 -16.932 3.926 1.00 0.00 C ATOM 1802 CE LYS A 117 -10.888 -15.454 4.112 1.00 0.00 C ATOM 1803 NZ LYS A 117 -9.608 -15.068 3.456 1.00 0.00 N ATOM 0 H LYS A 117 -14.189 -17.950 0.530 1.00 0.00 H new ATOM 0 HA LYS A 117 -11.600 -19.341 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -13.608 -18.279 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -12.168 -19.185 3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -10.976 -17.276 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -12.418 -16.378 2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -11.898 -17.258 4.694 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.284 -17.514 4.059 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.702 -14.858 3.699 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -10.834 -15.225 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.425 -14.057 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.830 -15.630 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.674 -15.247 2.434 1.00 0.00 H new ATOM 1817 N SER A 118 -12.838 -21.506 0.500 1.00 0.00 N ATOM 1818 CA SER A 118 -13.405 -22.850 0.517 1.00 0.00 C ATOM 1819 C SER A 118 -12.567 -23.782 1.388 1.00 0.00 C ATOM 1820 O SER A 118 -11.451 -23.445 1.783 1.00 0.00 O ATOM 1821 CB SER A 118 -13.494 -23.406 -0.906 1.00 0.00 C ATOM 1822 OG SER A 118 -14.249 -24.605 -0.938 1.00 0.00 O ATOM 0 H SER A 118 -12.072 -21.379 -0.161 1.00 0.00 H new ATOM 0 HA SER A 118 -14.408 -22.790 0.940 1.00 0.00 H new ATOM 0 HB2 SER A 118 -13.953 -22.666 -1.561 1.00 0.00 H new ATOM 0 HB3 SER A 118 -12.491 -23.593 -1.290 1.00 0.00 H new ATOM 0 HG SER A 118 -14.293 -24.940 -1.858 1.00 0.00 H new ATOM 1828 N LYS A 119 -13.115 -24.956 1.683 1.00 0.00 N ATOM 1829 CA LYS A 119 -12.420 -25.939 2.506 1.00 0.00 C ATOM 1830 C LYS A 119 -11.007 -26.182 1.986 1.00 0.00 C ATOM 1831 O LYS A 119 -10.033 -26.064 2.731 1.00 0.00 O ATOM 1832 CB LYS A 119 -13.199 -27.256 2.530 1.00 0.00 C ATOM 1833 CG LYS A 119 -14.409 -27.230 3.448 1.00 0.00 C ATOM 1834 CD LYS A 119 -14.938 -28.629 3.713 1.00 0.00 C ATOM 1835 CE LYS A 119 -15.837 -29.109 2.584 1.00 0.00 C ATOM 1836 NZ LYS A 119 -15.798 -30.590 2.436 1.00 0.00 N ATOM 0 H LYS A 119 -14.038 -25.250 1.364 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.353 -25.545 3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -13.526 -27.493 1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.531 -28.058 2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.140 -26.757 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.194 -26.622 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -14.102 -29.318 3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.494 -28.637 4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -16.862 -28.790 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.527 -28.642 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.424 -30.878 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.825 -30.893 2.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.118 -31.036 3.319 1.00 0.00 H new ATOM 1850 N ARG A 120 -10.901 -26.520 0.705 1.00 0.00 N ATOM 1851 CA ARG A 120 -9.607 -26.779 0.087 1.00 0.00 C ATOM 1852 C ARG A 120 -8.751 -25.516 0.068 1.00 0.00 C ATOM 1853 O ARG A 120 -9.272 -24.400 0.056 1.00 0.00 O ATOM 1854 CB ARG A 120 -9.794 -27.303 -1.338 1.00 0.00 C ATOM 1855 CG ARG A 120 -10.110 -26.215 -2.350 1.00 0.00 C ATOM 1856 CD ARG A 120 -8.842 -25.616 -2.938 1.00 0.00 C ATOM 1857 NE ARG A 120 -9.101 -24.902 -4.186 1.00 0.00 N ATOM 1858 CZ ARG A 120 -8.159 -24.614 -5.077 1.00 0.00 C ATOM 1859 NH1 ARG A 120 -6.903 -24.979 -4.861 1.00 0.00 N ATOM 1860 NH2 ARG A 120 -8.474 -23.962 -6.189 1.00 0.00 N ATOM 0 H ARG A 120 -11.697 -26.621 0.075 1.00 0.00 H new ATOM 0 HA ARG A 120 -9.094 -27.536 0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -8.887 -27.822 -1.647 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.599 -28.037 -1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -10.724 -26.628 -3.150 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.696 -25.431 -1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.395 -24.933 -2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.116 -26.409 -3.118 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.058 -24.609 -4.384 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -6.658 -25.483 -4.009 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -6.182 -24.756 -5.547 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -9.440 -23.682 -6.360 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -7.750 -23.741 -6.873 1.00 0.00 H new ATOM 1874 N LYS A 121 -7.435 -25.699 0.065 1.00 0.00 N ATOM 1875 CA LYS A 121 -6.506 -24.576 0.047 1.00 0.00 C ATOM 1876 C LYS A 121 -5.115 -25.027 -0.387 1.00 0.00 C ATOM 1877 O LYS A 121 -4.672 -26.121 -0.040 1.00 0.00 O ATOM 1878 CB LYS A 121 -6.434 -23.924 1.429 1.00 0.00 C ATOM 1879 CG LYS A 121 -5.568 -22.677 1.469 1.00 0.00 C ATOM 1880 CD LYS A 121 -5.625 -22.002 2.829 1.00 0.00 C ATOM 1881 CE LYS A 121 -4.745 -22.717 3.844 1.00 0.00 C ATOM 1882 NZ LYS A 121 -3.297 -22.500 3.573 1.00 0.00 N ATOM 0 H LYS A 121 -6.988 -26.616 0.075 1.00 0.00 H new ATOM 0 HA LYS A 121 -6.873 -23.845 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -7.442 -23.666 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -6.045 -24.649 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.537 -22.942 1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -5.899 -21.978 0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -5.305 -20.964 2.735 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -6.655 -21.986 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -4.984 -22.361 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -4.962 -23.785 3.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.742 -22.778 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -3.007 -23.075 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -3.130 -21.495 3.365 1.00 0.00 H new ATOM 1896 N GLU A 122 -4.431 -24.177 -1.146 1.00 0.00 N ATOM 1897 CA GLU A 122 -3.090 -24.490 -1.626 1.00 0.00 C ATOM 1898 C GLU A 122 -2.068 -23.508 -1.062 1.00 0.00 C ATOM 1899 O GLU A 122 -2.400 -22.368 -0.734 1.00 0.00 O ATOM 1900 CB GLU A 122 -3.052 -24.460 -3.155 1.00 0.00 C ATOM 1901 CG GLU A 122 -3.379 -23.099 -3.747 1.00 0.00 C ATOM 1902 CD GLU A 122 -2.310 -22.064 -3.453 1.00 0.00 C ATOM 1903 OE1 GLU A 122 -1.150 -22.277 -3.864 1.00 0.00 O ATOM 1904 OE2 GLU A 122 -2.633 -21.042 -2.813 1.00 0.00 O ATOM 0 H GLU A 122 -4.783 -23.267 -1.442 1.00 0.00 H new ATOM 0 HA GLU A 122 -2.833 -25.492 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -2.061 -24.764 -3.491 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -3.759 -25.194 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -3.499 -23.195 -4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -4.333 -22.754 -3.349 1.00 0.00 H new ATOM 1911 N PHE A 123 -0.822 -23.958 -0.951 1.00 0.00 N ATOM 1912 CA PHE A 123 0.249 -23.120 -0.425 1.00 0.00 C ATOM 1913 C PHE A 123 1.612 -23.620 -0.898 1.00 0.00 C ATOM 1914 O PHE A 123 1.764 -24.785 -1.263 1.00 0.00 O ATOM 1915 CB PHE A 123 0.204 -23.099 1.104 1.00 0.00 C ATOM 1916 CG PHE A 123 1.271 -22.241 1.723 1.00 0.00 C ATOM 1917 CD1 PHE A 123 1.444 -20.927 1.318 1.00 0.00 C ATOM 1918 CD2 PHE A 123 2.101 -22.749 2.709 1.00 0.00 C ATOM 1919 CE1 PHE A 123 2.424 -20.135 1.886 1.00 0.00 C ATOM 1920 CE2 PHE A 123 3.083 -21.962 3.281 1.00 0.00 C ATOM 1921 CZ PHE A 123 3.246 -20.654 2.868 1.00 0.00 C ATOM 0 H PHE A 123 -0.530 -24.898 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 123 0.102 -22.107 -0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -0.773 -22.739 1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 123 0.307 -24.118 1.477 1.00 0.00 H new ATOM 0 HD1 PHE A 123 0.806 -20.517 0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 123 1.979 -23.772 3.035 1.00 0.00 H new ATOM 0 HE1 PHE A 123 2.547 -19.112 1.563 1.00 0.00 H new ATOM 0 HE2 PHE A 123 3.722 -22.369 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 123 4.014 -20.038 3.312 1.00 0.00 H new ATOM 1931 N GLN A 124 2.597 -22.728 -0.889 1.00 0.00 N ATOM 1932 CA GLN A 124 3.946 -23.078 -1.318 1.00 0.00 C ATOM 1933 C GLN A 124 4.915 -21.928 -1.059 1.00 0.00 C ATOM 1934 O GLN A 124 4.629 -20.777 -1.388 1.00 0.00 O ATOM 1935 CB GLN A 124 3.954 -23.442 -2.803 1.00 0.00 C ATOM 1936 CG GLN A 124 3.719 -22.254 -3.722 1.00 0.00 C ATOM 1937 CD GLN A 124 2.357 -21.619 -3.520 1.00 0.00 C ATOM 1938 OE1 GLN A 124 1.326 -22.236 -3.787 1.00 0.00 O ATOM 1939 NE2 GLN A 124 2.347 -20.380 -3.044 1.00 0.00 N ATOM 0 H GLN A 124 2.487 -21.759 -0.590 1.00 0.00 H new ATOM 0 HA GLN A 124 4.272 -23.942 -0.738 1.00 0.00 H new ATOM 0 HB2 GLN A 124 4.912 -23.899 -3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 124 3.185 -24.192 -2.989 1.00 0.00 H new ATOM 0 HG2 GLN A 124 4.493 -21.507 -3.548 1.00 0.00 H new ATOM 0 HG3 GLN A 124 3.815 -22.577 -4.759 1.00 0.00 H new ATOM 0 HE21 GLN A 124 3.226 -19.906 -2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 124 1.460 -19.902 -2.886 1.00 0.00 H new ATOM 1948 N SER A 125 6.062 -22.249 -0.468 1.00 0.00 N ATOM 1949 CA SER A 125 7.071 -21.242 -0.162 1.00 0.00 C ATOM 1950 C SER A 125 8.472 -21.769 -0.457 1.00 0.00 C ATOM 1951 O SER A 125 8.676 -22.974 -0.600 1.00 0.00 O ATOM 1952 CB SER A 125 6.971 -20.819 1.305 1.00 0.00 C ATOM 1953 OG SER A 125 6.001 -19.801 1.478 1.00 0.00 O ATOM 0 H SER A 125 6.315 -23.198 -0.192 1.00 0.00 H new ATOM 0 HA SER A 125 6.887 -20.375 -0.796 1.00 0.00 H new ATOM 0 HB2 SER A 125 6.711 -21.682 1.918 1.00 0.00 H new ATOM 0 HB3 SER A 125 7.942 -20.463 1.651 1.00 0.00 H new ATOM 0 HG SER A 125 5.205 -20.177 1.909 1.00 0.00 H new ATOM 1959 N GLY A 126 9.434 -20.856 -0.547 1.00 0.00 N ATOM 1960 CA GLY A 126 10.804 -21.248 -0.825 1.00 0.00 C ATOM 1961 C GLY A 126 11.784 -20.681 0.183 1.00 0.00 C ATOM 1962 O GLY A 126 12.345 -19.601 -0.004 1.00 0.00 O ATOM 0 H GLY A 126 9.290 -19.853 -0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 126 10.875 -22.336 -0.824 1.00 0.00 H new ATOM 0 HA3 GLY A 126 11.080 -20.911 -1.824 1.00 0.00 H new ATOM 1966 N PRO A 127 12.003 -21.419 1.282 1.00 0.00 N ATOM 1967 CA PRO A 127 12.922 -21.002 2.345 1.00 0.00 C ATOM 1968 C PRO A 127 14.380 -21.052 1.903 1.00 0.00 C ATOM 1969 O PRO A 127 15.027 -22.097 1.981 1.00 0.00 O ATOM 1970 CB PRO A 127 12.664 -22.023 3.456 1.00 0.00 C ATOM 1971 CG PRO A 127 12.147 -23.229 2.750 1.00 0.00 C ATOM 1972 CD PRO A 127 11.369 -22.716 1.570 1.00 0.00 C ATOM 0 HA PRO A 127 12.753 -19.969 2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 127 13.577 -22.248 4.007 1.00 0.00 H new ATOM 0 HB3 PRO A 127 11.940 -21.647 4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 127 12.965 -23.873 2.428 1.00 0.00 H new ATOM 0 HG3 PRO A 127 11.513 -23.824 3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 127 11.436 -23.394 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 127 10.311 -22.603 1.805 1.00 0.00 H new ATOM 1980 N SER A 128 14.892 -19.917 1.439 1.00 0.00 N ATOM 1981 CA SER A 128 16.274 -19.832 0.981 1.00 0.00 C ATOM 1982 C SER A 128 17.190 -19.351 2.103 1.00 0.00 C ATOM 1983 O SER A 128 16.809 -18.502 2.909 1.00 0.00 O ATOM 1984 CB SER A 128 16.380 -18.889 -0.218 1.00 0.00 C ATOM 1985 OG SER A 128 17.685 -18.908 -0.769 1.00 0.00 O ATOM 0 H SER A 128 14.371 -19.043 1.370 1.00 0.00 H new ATOM 0 HA SER A 128 16.592 -20.830 0.678 1.00 0.00 H new ATOM 0 HB2 SER A 128 15.656 -19.181 -0.979 1.00 0.00 H new ATOM 0 HB3 SER A 128 16.127 -17.875 0.090 1.00 0.00 H new ATOM 0 HG SER A 128 17.726 -18.298 -1.535 1.00 0.00 H new ATOM 1991 N SER A 129 18.399 -19.901 2.148 1.00 0.00 N ATOM 1992 CA SER A 129 19.369 -19.532 3.173 1.00 0.00 C ATOM 1993 C SER A 129 19.671 -18.038 3.122 1.00 0.00 C ATOM 1994 O SER A 129 20.225 -17.538 2.143 1.00 0.00 O ATOM 1995 CB SER A 129 20.661 -20.332 2.994 1.00 0.00 C ATOM 1996 OG SER A 129 20.512 -21.656 3.478 1.00 0.00 O ATOM 0 H SER A 129 18.730 -20.604 1.487 1.00 0.00 H new ATOM 0 HA SER A 129 18.938 -19.765 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 129 20.935 -20.356 1.939 1.00 0.00 H new ATOM 0 HB3 SER A 129 21.475 -19.837 3.524 1.00 0.00 H new ATOM 0 HG SER A 129 21.350 -22.147 3.351 1.00 0.00 H new ATOM 2002 N GLY A 130 19.302 -17.329 4.185 1.00 0.00 N ATOM 2003 CA GLY A 130 19.541 -15.898 4.242 1.00 0.00 C ATOM 2004 C GLY A 130 19.083 -15.285 5.550 1.00 0.00 C ATOM 2005 O GLY A 130 18.344 -14.301 5.556 1.00 0.00 O ATOM 0 H GLY A 130 18.842 -17.720 5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 130 20.605 -15.705 4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 130 19.022 -15.413 3.416 1.00 0.00 H new TER 2009 GLY A 130