USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 777 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 96 ASN :FLIP amide:sc= -0.766 F(o=-1.3!,f=0.33) USER MOD Set 1.2: A 97 SER OG : rot -64:sc= 0.168 USER MOD Set 1.3: A 98 SER OG : rot 85:sc= 0.926 USER MOD Set 2.1: A 94 THR OG1 : rot 119:sc= 1.2 USER MOD Set 2.2: A 103 ASN : amide:sc= 1.07 K(o=2.3,f=-2.8) USER MOD Set 3.1: A 61 THR OG1 : rot -88:sc= 1.21 USER MOD Set 3.2: A 75 TYR OH : rot 15:sc= 0.532 USER MOD Set 4.1: A 51 THR OG1 : rot -170:sc= 0.172 USER MOD Set 4.2: A 53 GLN : amide:sc= -2.06 K(o=-2,f=-5.7!) USER MOD Set 4.3: A 54 GLN : amide:sc= -0.076 X(o=-2,f=-2) USER MOD Single : A 20 SER OG : rot 34:sc= 0.304 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0665 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 33 ASN : amide:sc= -0.0202 K(o=-0.02,f=-0.9) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 36 ASN : amide:sc=-0.00426 X(o=-0.0043,f=-0.0043) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 44 SER OG : rot 87:sc= 0.344 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -173:sc= -0.349 (180deg=-0.423) USER MOD Single : A 52 GLN : amide:sc= 0.0702 K(o=0.07,f=-0.88) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0212 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.262 F(o=-2!,f=-0.26) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 0.295 K(o=0.3,f=-0.74) USER MOD Single : A 83 HIS : no HE2:sc= 0.881 K(o=0.88,f=-6.4!) USER MOD Single : A 87 THR OG1 : rot -76:sc= 0.335 USER MOD Single : A 88 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.24) USER MOD Single : A 89 GLN : amide:sc= 0.65 K(o=0.65,f=-9.4!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0821 USER MOD Single : A 106 ASN : amide:sc= -0.0165 X(o=-0.016,f=-0.016) USER MOD Single : A 107 LYS NZ :NH3+ 137:sc= 0.836 (180deg=0.458) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc=-0.00326 X(o=-0.0033,f=-0.12) USER MOD Single : A 116 HIS : no HE2:sc= 0.805 K(o=0.8,f=-2.8!) USER MOD Single : A 117 HIS : no HE2:sc= 0.62 K(o=0.62,f=-4.7!) USER MOD Single : A 118 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.076) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 120 HIS : no HD1:sc= -0.0341 X(o=-0.034,f=-0.00013) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 20 -7.390 -49.364 43.254 1.00 0.00 N ATOM 2 CA SER A 20 -7.648 -47.952 42.916 1.00 0.00 C ATOM 3 C SER A 20 -6.436 -47.334 42.231 1.00 0.00 C ATOM 4 O SER A 20 -5.386 -47.148 42.850 1.00 0.00 O ATOM 5 CB SER A 20 -7.995 -47.173 44.186 1.00 0.00 C ATOM 6 OG SER A 20 -8.911 -47.900 44.990 1.00 0.00 O ATOM 0 HA SER A 20 -8.490 -47.904 42.226 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.087 -46.971 44.754 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.425 -46.208 43.919 1.00 0.00 H new ATOM 0 HG SER A 20 -8.727 -48.859 44.910 1.00 0.00 H new ATOM 14 N SER A 21 -6.584 -47.028 40.954 1.00 0.00 N ATOM 15 CA SER A 21 -5.514 -46.418 40.188 1.00 0.00 C ATOM 16 C SER A 21 -5.852 -44.970 39.865 1.00 0.00 C ATOM 17 O SER A 21 -6.967 -44.665 39.435 1.00 0.00 O ATOM 18 CB SER A 21 -5.274 -47.201 38.899 1.00 0.00 C ATOM 19 OG SER A 21 -5.446 -48.594 39.108 1.00 0.00 O ATOM 0 H SER A 21 -7.440 -47.193 40.424 1.00 0.00 H new ATOM 0 HA SER A 21 -4.604 -46.439 40.787 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.964 -46.858 38.128 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.265 -47.007 38.534 1.00 0.00 H new ATOM 0 HG SER A 21 -5.289 -49.073 38.268 1.00 0.00 H new ATOM 25 N THR A 22 -4.894 -44.087 40.088 1.00 0.00 N ATOM 26 CA THR A 22 -5.069 -42.676 39.795 1.00 0.00 C ATOM 27 C THR A 22 -5.133 -42.445 38.290 1.00 0.00 C ATOM 28 O THR A 22 -4.447 -43.120 37.518 1.00 0.00 O ATOM 29 CB THR A 22 -3.916 -41.853 40.391 1.00 0.00 C ATOM 30 OG1 THR A 22 -3.159 -42.672 41.294 1.00 0.00 O ATOM 31 CG2 THR A 22 -4.443 -40.626 41.124 1.00 0.00 C ATOM 0 H THR A 22 -3.980 -44.325 40.474 1.00 0.00 H new ATOM 0 HA THR A 22 -6.008 -42.353 40.246 1.00 0.00 H new ATOM 0 HB THR A 22 -3.275 -41.514 39.577 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.423 -42.147 41.673 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.607 -40.061 41.536 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.998 -39.997 40.428 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.102 -40.941 41.933 1.00 0.00 H new ATOM 39 N LEU A 23 -5.966 -41.506 37.877 1.00 0.00 N ATOM 40 CA LEU A 23 -6.120 -41.193 36.466 1.00 0.00 C ATOM 41 C LEU A 23 -5.871 -39.712 36.221 1.00 0.00 C ATOM 42 O LEU A 23 -6.600 -38.863 36.734 1.00 0.00 O ATOM 43 CB LEU A 23 -7.520 -41.576 35.984 1.00 0.00 C ATOM 44 CG LEU A 23 -7.557 -42.537 34.795 1.00 0.00 C ATOM 45 CD1 LEU A 23 -8.589 -43.629 35.028 1.00 0.00 C ATOM 46 CD2 LEU A 23 -7.855 -41.783 33.508 1.00 0.00 C ATOM 0 H LEU A 23 -6.548 -40.945 38.500 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.386 -41.770 35.904 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.062 -42.029 36.814 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -8.055 -40.666 35.713 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.577 -43.005 34.697 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.603 -44.305 34.173 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.331 -44.188 35.928 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.574 -43.179 35.151 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.877 -42.483 32.673 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -8.822 -41.288 33.592 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.079 -41.037 33.335 1.00 0.00 H new ATOM 58 N GLU A 24 -4.829 -39.409 35.459 1.00 0.00 N ATOM 59 CA GLU A 24 -4.513 -38.031 35.109 1.00 0.00 C ATOM 60 C GLU A 24 -5.626 -37.444 34.246 1.00 0.00 C ATOM 61 O GLU A 24 -6.084 -38.067 33.285 1.00 0.00 O ATOM 62 CB GLU A 24 -3.149 -37.965 34.398 1.00 0.00 C ATOM 63 CG GLU A 24 -3.112 -37.087 33.153 1.00 0.00 C ATOM 64 CD GLU A 24 -2.577 -37.829 31.945 1.00 0.00 C ATOM 65 OE1 GLU A 24 -2.675 -39.075 31.920 1.00 0.00 O ATOM 66 OE2 GLU A 24 -2.052 -37.178 31.020 1.00 0.00 O ATOM 0 H GLU A 24 -4.187 -40.100 35.071 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.443 -37.433 36.017 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.405 -37.598 35.105 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.852 -38.976 34.120 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.116 -36.722 32.938 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.490 -36.213 33.345 1.00 0.00 H new ATOM 73 N ARG A 25 -6.064 -36.248 34.601 1.00 0.00 N ATOM 74 CA ARG A 25 -7.163 -35.606 33.906 1.00 0.00 C ATOM 75 C ARG A 25 -6.638 -34.644 32.855 1.00 0.00 C ATOM 76 O ARG A 25 -6.533 -33.441 33.091 1.00 0.00 O ATOM 77 CB ARG A 25 -8.067 -34.866 34.896 1.00 0.00 C ATOM 78 CG ARG A 25 -9.550 -35.097 34.656 1.00 0.00 C ATOM 79 CD ARG A 25 -9.842 -36.545 34.300 1.00 0.00 C ATOM 80 NE ARG A 25 -10.309 -37.310 35.454 1.00 0.00 N ATOM 81 CZ ARG A 25 -10.679 -38.588 35.399 1.00 0.00 C ATOM 82 NH1 ARG A 25 -10.618 -39.259 34.253 1.00 0.00 N ATOM 83 NH2 ARG A 25 -11.101 -39.195 36.501 1.00 0.00 N ATOM 0 H ARG A 25 -5.673 -35.702 35.369 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.751 -36.378 33.409 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.818 -35.182 35.909 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.860 -33.798 34.836 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.111 -34.822 35.549 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.894 -34.448 33.851 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.596 -36.580 33.513 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.941 -37.008 33.899 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.354 -36.836 36.356 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -10.286 -38.795 33.407 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.903 -40.238 34.219 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.140 -38.683 37.382 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.386 -40.174 36.467 1.00 0.00 H new ATOM 97 N VAL A 26 -6.297 -35.188 31.697 1.00 0.00 N ATOM 98 CA VAL A 26 -5.805 -34.385 30.591 1.00 0.00 C ATOM 99 C VAL A 26 -6.942 -33.560 29.984 1.00 0.00 C ATOM 100 O VAL A 26 -7.983 -34.097 29.590 1.00 0.00 O ATOM 101 CB VAL A 26 -5.129 -35.264 29.507 1.00 0.00 C ATOM 102 CG1 VAL A 26 -5.983 -36.474 29.159 1.00 0.00 C ATOM 103 CG2 VAL A 26 -4.822 -34.453 28.257 1.00 0.00 C ATOM 0 H VAL A 26 -6.353 -36.187 31.499 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.049 -33.705 30.983 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.188 -35.624 29.923 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.479 -37.068 28.396 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.134 -37.082 30.051 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.949 -36.141 28.780 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.348 -35.095 27.514 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.748 -34.048 27.849 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.149 -33.634 28.511 1.00 0.00 H new ATOM 113 N VAL A 27 -6.742 -32.252 29.943 1.00 0.00 N ATOM 114 CA VAL A 27 -7.733 -31.327 29.418 1.00 0.00 C ATOM 115 C VAL A 27 -7.030 -30.157 28.739 1.00 0.00 C ATOM 116 O VAL A 27 -5.867 -29.872 29.035 1.00 0.00 O ATOM 117 CB VAL A 27 -8.667 -30.811 30.544 1.00 0.00 C ATOM 118 CG1 VAL A 27 -7.941 -29.842 31.469 1.00 0.00 C ATOM 119 CG2 VAL A 27 -9.917 -30.162 29.966 1.00 0.00 C ATOM 0 H VAL A 27 -5.888 -31.802 30.273 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.348 -31.854 28.689 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.972 -31.675 31.134 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.624 -29.500 32.246 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.091 -30.346 31.929 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.588 -28.986 30.894 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.553 -29.810 30.778 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.632 -29.319 29.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.463 -30.892 29.368 1.00 0.00 H new ATOM 129 N TYR A 28 -7.719 -29.494 27.821 1.00 0.00 N ATOM 130 CA TYR A 28 -7.142 -28.350 27.134 1.00 0.00 C ATOM 131 C TYR A 28 -7.135 -27.127 28.038 1.00 0.00 C ATOM 132 O TYR A 28 -8.122 -26.829 28.715 1.00 0.00 O ATOM 133 CB TYR A 28 -7.898 -28.029 25.837 1.00 0.00 C ATOM 134 CG TYR A 28 -7.375 -26.787 25.141 1.00 0.00 C ATOM 135 CD1 TYR A 28 -6.206 -26.830 24.389 1.00 0.00 C ATOM 136 CD2 TYR A 28 -8.037 -25.568 25.253 1.00 0.00 C ATOM 137 CE1 TYR A 28 -5.711 -25.696 23.772 1.00 0.00 C ATOM 138 CE2 TYR A 28 -7.549 -24.431 24.636 1.00 0.00 C ATOM 139 CZ TYR A 28 -6.386 -24.500 23.898 1.00 0.00 C ATOM 140 OH TYR A 28 -5.893 -23.367 23.288 1.00 0.00 O ATOM 0 H TYR A 28 -8.671 -29.727 27.537 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.116 -28.613 26.876 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.822 -28.879 25.158 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.956 -27.895 26.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.676 -27.765 24.285 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.947 -25.509 25.832 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.800 -25.747 23.194 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -8.076 -23.493 24.732 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.487 -22.610 23.474 1.00 0.00 H new ATOM 150 N ARG A 29 -6.018 -26.426 28.045 1.00 0.00 N ATOM 151 CA ARG A 29 -5.908 -25.167 28.757 1.00 0.00 C ATOM 152 C ARG A 29 -5.592 -24.057 27.768 1.00 0.00 C ATOM 153 O ARG A 29 -4.717 -24.221 26.916 1.00 0.00 O ATOM 154 CB ARG A 29 -4.821 -25.230 29.832 1.00 0.00 C ATOM 155 CG ARG A 29 -3.921 -26.445 29.731 1.00 0.00 C ATOM 156 CD ARG A 29 -2.591 -26.101 29.075 1.00 0.00 C ATOM 157 NE ARG A 29 -2.207 -27.092 28.073 1.00 0.00 N ATOM 158 CZ ARG A 29 -0.952 -27.335 27.707 1.00 0.00 C ATOM 159 NH1 ARG A 29 0.048 -26.645 28.247 1.00 0.00 N ATOM 160 NH2 ARG A 29 -0.700 -28.269 26.801 1.00 0.00 N ATOM 0 H ARG A 29 -5.166 -26.710 27.561 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.858 -24.965 29.252 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.208 -24.331 29.767 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.295 -25.223 30.814 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.743 -26.851 30.727 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.422 -27.223 29.155 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.660 -25.119 28.607 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.815 -26.037 29.838 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.948 -27.632 27.626 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.146 -25.927 28.944 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.009 -26.834 27.964 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.467 -28.798 26.387 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.261 -28.458 26.518 1.00 0.00 H new ATOM 174 N PRO A 30 -6.320 -22.931 27.835 1.00 0.00 N ATOM 175 CA PRO A 30 -6.056 -21.768 26.982 1.00 0.00 C ATOM 176 C PRO A 30 -4.632 -21.254 27.173 1.00 0.00 C ATOM 177 O PRO A 30 -4.338 -20.531 28.125 1.00 0.00 O ATOM 178 CB PRO A 30 -7.081 -20.731 27.451 1.00 0.00 C ATOM 179 CG PRO A 30 -8.152 -21.525 28.117 1.00 0.00 C ATOM 180 CD PRO A 30 -7.459 -22.702 28.740 1.00 0.00 C ATOM 0 HA PRO A 30 -6.144 -21.999 25.920 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.632 -20.016 28.141 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.477 -20.159 26.612 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.668 -20.931 28.871 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.904 -21.849 27.397 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.130 -22.485 29.756 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.112 -23.573 28.795 1.00 0.00 H new ATOM 188 N ASP A 31 -3.748 -21.642 26.269 1.00 0.00 N ATOM 189 CA ASP A 31 -2.327 -21.354 26.417 1.00 0.00 C ATOM 190 C ASP A 31 -1.719 -20.865 25.108 1.00 0.00 C ATOM 191 O ASP A 31 -0.972 -19.888 25.081 1.00 0.00 O ATOM 192 CB ASP A 31 -1.595 -22.617 26.884 1.00 0.00 C ATOM 193 CG ASP A 31 -0.152 -22.353 27.258 1.00 0.00 C ATOM 194 OD1 ASP A 31 0.097 -21.853 28.375 1.00 0.00 O ATOM 195 OD2 ASP A 31 0.743 -22.661 26.444 1.00 0.00 O ATOM 0 H ASP A 31 -3.988 -22.158 25.423 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.216 -20.562 27.158 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.117 -23.038 27.743 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.630 -23.365 26.092 1.00 0.00 H new ATOM 200 N ILE A 32 -2.058 -21.546 24.026 1.00 0.00 N ATOM 201 CA ILE A 32 -1.454 -21.275 22.727 1.00 0.00 C ATOM 202 C ILE A 32 -1.997 -19.997 22.093 1.00 0.00 C ATOM 203 O ILE A 32 -1.263 -19.300 21.394 1.00 0.00 O ATOM 204 CB ILE A 32 -1.658 -22.454 21.751 1.00 0.00 C ATOM 205 CG1 ILE A 32 -2.569 -23.523 22.381 1.00 0.00 C ATOM 206 CG2 ILE A 32 -0.311 -23.038 21.352 1.00 0.00 C ATOM 207 CD1 ILE A 32 -2.337 -24.932 21.871 1.00 0.00 C ATOM 0 H ILE A 32 -2.751 -22.294 24.019 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.388 -21.142 22.912 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.151 -22.090 20.849 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.424 -23.514 23.461 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.608 -23.250 22.196 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.464 -23.869 20.664 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.289 -22.269 20.865 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.209 -23.395 22.241 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -3.023 -25.617 22.370 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.512 -24.963 20.796 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.310 -25.230 22.080 1.00 0.00 H new ATOM 219 N ASN A 33 -3.269 -19.688 22.355 1.00 0.00 N ATOM 220 CA ASN A 33 -3.936 -18.534 21.737 1.00 0.00 C ATOM 221 C ASN A 33 -3.866 -18.644 20.215 1.00 0.00 C ATOM 222 O ASN A 33 -3.339 -17.768 19.523 1.00 0.00 O ATOM 223 CB ASN A 33 -3.313 -17.215 22.211 1.00 0.00 C ATOM 224 CG ASN A 33 -4.176 -16.006 21.883 1.00 0.00 C ATOM 225 OD1 ASN A 33 -5.404 -16.073 21.913 1.00 0.00 O ATOM 226 ND2 ASN A 33 -3.535 -14.896 21.555 1.00 0.00 N ATOM 0 H ASN A 33 -3.861 -20.221 22.992 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.982 -18.537 22.045 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.153 -17.260 23.288 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.334 -17.093 21.748 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.061 -14.055 21.315 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -2.515 -14.881 21.542 1.00 0.00 H new ATOM 233 N GLN A 34 -4.396 -19.743 19.703 1.00 0.00 N ATOM 234 CA GLN A 34 -4.323 -20.036 18.283 1.00 0.00 C ATOM 235 C GLN A 34 -5.589 -19.579 17.576 1.00 0.00 C ATOM 236 O GLN A 34 -6.641 -19.442 18.199 1.00 0.00 O ATOM 237 CB GLN A 34 -4.101 -21.531 18.064 1.00 0.00 C ATOM 238 CG GLN A 34 -2.649 -21.952 18.215 1.00 0.00 C ATOM 239 CD GLN A 34 -1.938 -22.064 16.883 1.00 0.00 C ATOM 240 OE1 GLN A 34 -1.944 -21.131 16.077 1.00 0.00 O ATOM 241 NE2 GLN A 34 -1.324 -23.204 16.636 1.00 0.00 N ATOM 0 H GLN A 34 -4.884 -20.449 20.254 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.479 -19.491 17.860 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.710 -22.090 18.775 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.448 -21.800 17.067 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.127 -21.229 18.842 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.604 -22.912 18.730 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.341 -23.953 17.328 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.832 -23.337 15.753 1.00 0.00 H new ATOM 250 N GLY A 35 -5.483 -19.339 16.278 1.00 0.00 N ATOM 251 CA GLY A 35 -6.623 -18.871 15.516 1.00 0.00 C ATOM 252 C GLY A 35 -6.742 -17.365 15.563 1.00 0.00 C ATOM 253 O GLY A 35 -7.841 -16.820 15.666 1.00 0.00 O ATOM 0 H GLY A 35 -4.627 -19.460 15.737 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.528 -19.197 14.480 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.534 -19.321 15.910 1.00 0.00 H new ATOM 257 N ASN A 36 -5.598 -16.698 15.494 1.00 0.00 N ATOM 258 CA ASN A 36 -5.540 -15.246 15.560 1.00 0.00 C ATOM 259 C ASN A 36 -4.290 -14.744 14.843 1.00 0.00 C ATOM 260 O ASN A 36 -3.229 -15.365 14.937 1.00 0.00 O ATOM 261 CB ASN A 36 -5.539 -14.797 17.027 1.00 0.00 C ATOM 262 CG ASN A 36 -5.204 -13.328 17.200 1.00 0.00 C ATOM 263 OD1 ASN A 36 -5.909 -12.453 16.698 1.00 0.00 O ATOM 264 ND2 ASN A 36 -4.128 -13.047 17.916 1.00 0.00 N ATOM 0 H ASN A 36 -4.688 -17.147 15.391 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.415 -14.824 15.065 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.519 -14.993 17.461 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -4.818 -15.396 17.583 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.856 -12.076 18.069 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.570 -13.802 18.315 1.00 0.00 H new ATOM 271 N TYR A 37 -4.419 -13.638 14.116 1.00 0.00 N ATOM 272 CA TYR A 37 -3.289 -13.084 13.376 1.00 0.00 C ATOM 273 C TYR A 37 -2.362 -12.305 14.307 1.00 0.00 C ATOM 274 O TYR A 37 -2.626 -12.184 15.502 1.00 0.00 O ATOM 275 CB TYR A 37 -3.748 -12.200 12.205 1.00 0.00 C ATOM 276 CG TYR A 37 -5.153 -11.653 12.319 1.00 0.00 C ATOM 277 CD1 TYR A 37 -6.256 -12.418 11.952 1.00 0.00 C ATOM 278 CD2 TYR A 37 -5.376 -10.364 12.776 1.00 0.00 C ATOM 279 CE1 TYR A 37 -7.538 -11.911 12.041 1.00 0.00 C ATOM 280 CE2 TYR A 37 -6.653 -9.848 12.864 1.00 0.00 C ATOM 281 CZ TYR A 37 -7.730 -10.624 12.499 1.00 0.00 C ATOM 282 OH TYR A 37 -9.001 -10.107 12.581 1.00 0.00 O ATOM 0 H TYR A 37 -5.287 -13.111 14.023 1.00 0.00 H new ATOM 0 HA TYR A 37 -2.735 -13.923 12.954 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -3.057 -11.363 12.111 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.675 -12.779 11.284 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -6.107 -13.425 11.591 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -4.535 -9.752 13.069 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.384 -12.518 11.754 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.807 -8.839 13.218 1.00 0.00 H new ATOM 0 HH TYR A 37 -8.960 -9.190 12.924 1.00 0.00 H new ATOM 292 N LEU A 38 -1.290 -11.761 13.754 1.00 0.00 N ATOM 293 CA LEU A 38 -0.229 -11.179 14.563 1.00 0.00 C ATOM 294 C LEU A 38 -0.607 -9.826 15.156 1.00 0.00 C ATOM 295 O LEU A 38 -1.323 -9.028 14.544 1.00 0.00 O ATOM 296 CB LEU A 38 1.047 -11.041 13.739 1.00 0.00 C ATOM 297 CG LEU A 38 2.331 -11.398 14.487 1.00 0.00 C ATOM 298 CD1 LEU A 38 2.255 -12.809 15.046 1.00 0.00 C ATOM 299 CD2 LEU A 38 3.537 -11.260 13.576 1.00 0.00 C ATOM 0 H LEU A 38 -1.131 -11.710 12.748 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.064 -11.861 15.397 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.966 -11.679 12.859 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.124 -10.014 13.382 1.00 0.00 H new ATOM 0 HG LEU A 38 2.441 -10.702 15.319 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.180 -13.041 15.574 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.415 -12.882 15.736 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.116 -13.517 14.229 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.441 -11.519 14.127 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.428 -11.930 12.724 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.610 -10.232 13.222 1.00 0.00 H new ATOM 311 N THR A 39 -0.112 -9.593 16.360 1.00 0.00 N ATOM 312 CA THR A 39 -0.300 -8.341 17.067 1.00 0.00 C ATOM 313 C THR A 39 1.064 -7.664 17.266 1.00 0.00 C ATOM 314 O THR A 39 2.095 -8.338 17.302 1.00 0.00 O ATOM 315 CB THR A 39 -1.000 -8.613 18.422 1.00 0.00 C ATOM 316 OG1 THR A 39 -2.392 -8.882 18.196 1.00 0.00 O ATOM 317 CG2 THR A 39 -0.860 -7.449 19.392 1.00 0.00 C ATOM 0 H THR A 39 0.438 -10.278 16.879 1.00 0.00 H new ATOM 0 HA THR A 39 -0.935 -7.670 16.488 1.00 0.00 H new ATOM 0 HB THR A 39 -0.512 -9.476 18.874 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.835 -9.056 19.053 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.368 -7.690 20.326 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.196 -7.266 19.590 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.308 -6.556 18.956 1.00 0.00 H new ATOM 325 N ALA A 40 1.068 -6.335 17.364 1.00 0.00 N ATOM 326 CA ALA A 40 2.309 -5.572 17.508 1.00 0.00 C ATOM 327 C ALA A 40 3.147 -6.050 18.698 1.00 0.00 C ATOM 328 O ALA A 40 4.375 -6.117 18.617 1.00 0.00 O ATOM 329 CB ALA A 40 1.999 -4.089 17.649 1.00 0.00 C ATOM 0 H ALA A 40 0.224 -5.763 17.346 1.00 0.00 H new ATOM 0 HA ALA A 40 2.899 -5.737 16.606 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.929 -3.531 17.755 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.468 -3.742 16.763 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.377 -3.929 18.530 1.00 0.00 H new ATOM 335 N ASN A 41 2.474 -6.382 19.790 1.00 0.00 N ATOM 336 CA ASN A 41 3.142 -6.807 21.018 1.00 0.00 C ATOM 337 C ASN A 41 3.963 -8.075 20.795 1.00 0.00 C ATOM 338 O ASN A 41 5.128 -8.153 21.193 1.00 0.00 O ATOM 339 CB ASN A 41 2.105 -7.042 22.121 1.00 0.00 C ATOM 340 CG ASN A 41 2.665 -7.805 23.309 1.00 0.00 C ATOM 341 OD1 ASN A 41 3.696 -7.437 23.871 1.00 0.00 O ATOM 342 ND2 ASN A 41 1.986 -8.870 23.701 1.00 0.00 N ATOM 0 H ASN A 41 1.456 -6.366 19.853 1.00 0.00 H new ATOM 0 HA ASN A 41 3.825 -6.014 21.323 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.721 -6.081 22.462 1.00 0.00 H new ATOM 0 HB3 ASN A 41 1.261 -7.594 21.707 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.313 -9.419 24.496 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.135 -9.142 23.208 1.00 0.00 H new ATOM 349 N ASP A 42 3.360 -9.059 20.140 1.00 0.00 N ATOM 350 CA ASP A 42 4.000 -10.356 19.933 1.00 0.00 C ATOM 351 C ASP A 42 5.187 -10.251 18.980 1.00 0.00 C ATOM 352 O ASP A 42 6.061 -11.116 18.971 1.00 0.00 O ATOM 353 CB ASP A 42 3.016 -11.416 19.406 1.00 0.00 C ATOM 354 CG ASP A 42 1.595 -10.921 19.191 1.00 0.00 C ATOM 355 OD1 ASP A 42 1.050 -10.227 20.076 1.00 0.00 O ATOM 356 OD2 ASP A 42 1.006 -11.241 18.139 1.00 0.00 O ATOM 0 H ASP A 42 2.424 -8.985 19.741 1.00 0.00 H new ATOM 0 HA ASP A 42 4.355 -10.674 20.913 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.396 -11.806 18.462 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.992 -12.249 20.108 1.00 0.00 H new ATOM 361 N VAL A 43 5.223 -9.196 18.182 1.00 0.00 N ATOM 362 CA VAL A 43 6.307 -9.003 17.226 1.00 0.00 C ATOM 363 C VAL A 43 7.561 -8.461 17.912 1.00 0.00 C ATOM 364 O VAL A 43 8.681 -8.719 17.471 1.00 0.00 O ATOM 365 CB VAL A 43 5.874 -8.049 16.081 1.00 0.00 C ATOM 366 CG1 VAL A 43 6.863 -6.904 15.865 1.00 0.00 C ATOM 367 CG2 VAL A 43 5.681 -8.830 14.793 1.00 0.00 C ATOM 0 H VAL A 43 4.517 -8.460 18.175 1.00 0.00 H new ATOM 0 HA VAL A 43 6.542 -9.978 16.799 1.00 0.00 H new ATOM 0 HB VAL A 43 4.927 -7.599 16.379 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.511 -6.268 15.053 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.943 -6.315 16.779 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.841 -7.311 15.609 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.377 -8.150 13.997 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.617 -9.315 14.518 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.909 -9.586 14.938 1.00 0.00 H new ATOM 377 N SER A 44 7.374 -7.751 19.017 1.00 0.00 N ATOM 378 CA SER A 44 8.459 -6.982 19.619 1.00 0.00 C ATOM 379 C SER A 44 9.560 -7.863 20.229 1.00 0.00 C ATOM 380 O SER A 44 10.601 -7.357 20.641 1.00 0.00 O ATOM 381 CB SER A 44 7.901 -6.040 20.683 1.00 0.00 C ATOM 382 OG SER A 44 6.578 -5.634 20.364 1.00 0.00 O ATOM 0 H SER A 44 6.485 -7.691 19.514 1.00 0.00 H new ATOM 0 HA SER A 44 8.922 -6.411 18.814 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.908 -6.537 21.653 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.543 -5.163 20.769 1.00 0.00 H new ATOM 0 HG SER A 44 5.940 -6.288 20.720 1.00 0.00 H new ATOM 388 N LYS A 45 9.342 -9.173 20.275 1.00 0.00 N ATOM 389 CA LYS A 45 10.286 -10.071 20.933 1.00 0.00 C ATOM 390 C LYS A 45 11.334 -10.627 19.964 1.00 0.00 C ATOM 391 O LYS A 45 12.168 -11.444 20.357 1.00 0.00 O ATOM 392 CB LYS A 45 9.543 -11.225 21.621 1.00 0.00 C ATOM 393 CG LYS A 45 8.370 -11.775 20.822 1.00 0.00 C ATOM 394 CD LYS A 45 7.817 -13.048 21.447 1.00 0.00 C ATOM 395 CE LYS A 45 6.462 -12.813 22.100 1.00 0.00 C ATOM 396 NZ LYS A 45 6.591 -12.130 23.415 1.00 0.00 N ATOM 0 H LYS A 45 8.528 -9.634 19.869 1.00 0.00 H new ATOM 0 HA LYS A 45 10.813 -9.481 21.683 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.248 -12.033 21.813 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.180 -10.882 22.590 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.582 -11.024 20.766 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.689 -11.979 19.800 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.723 -13.818 20.681 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.520 -13.423 22.191 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.839 -12.211 21.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.954 -13.768 22.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.647 -11.988 23.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.164 -12.716 24.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.053 -11.208 23.283 1.00 0.00 H new ATOM 410 N ILE A 46 11.302 -10.187 18.707 1.00 0.00 N ATOM 411 CA ILE A 46 12.268 -10.660 17.714 1.00 0.00 C ATOM 412 C ILE A 46 13.491 -9.743 17.650 1.00 0.00 C ATOM 413 O ILE A 46 13.666 -8.875 18.509 1.00 0.00 O ATOM 414 CB ILE A 46 11.638 -10.794 16.311 1.00 0.00 C ATOM 415 CG1 ILE A 46 11.119 -9.446 15.814 1.00 0.00 C ATOM 416 CG2 ILE A 46 10.519 -11.827 16.333 1.00 0.00 C ATOM 417 CD1 ILE A 46 11.654 -9.068 14.454 1.00 0.00 C ATOM 0 H ILE A 46 10.625 -9.511 18.353 1.00 0.00 H new ATOM 0 HA ILE A 46 12.587 -11.651 18.037 1.00 0.00 H new ATOM 0 HB ILE A 46 12.410 -11.131 15.619 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.030 -9.476 15.774 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.390 -8.672 16.532 1.00 0.00 H new ATOM 0 HG21 ILE A 46 10.083 -11.912 15.338 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.922 -12.793 16.637 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.750 -11.516 17.041 1.00 0.00 H new ATOM 0 HD11 ILE A 46 11.247 -8.101 14.159 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.742 -9.007 14.495 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.360 -9.823 13.725 1.00 0.00 H new ATOM 429 N ARG A 47 14.334 -9.931 16.639 1.00 0.00 N ATOM 430 CA ARG A 47 15.585 -9.190 16.551 1.00 0.00 C ATOM 431 C ARG A 47 15.992 -8.924 15.104 1.00 0.00 C ATOM 432 O ARG A 47 15.794 -9.763 14.223 1.00 0.00 O ATOM 433 CB ARG A 47 16.692 -9.968 17.265 1.00 0.00 C ATOM 434 CG ARG A 47 17.880 -9.116 17.673 1.00 0.00 C ATOM 435 CD ARG A 47 17.740 -8.606 19.100 1.00 0.00 C ATOM 436 NE ARG A 47 16.418 -8.039 19.359 1.00 0.00 N ATOM 437 CZ ARG A 47 16.181 -6.739 19.501 1.00 0.00 C ATOM 438 NH1 ARG A 47 17.179 -5.863 19.444 1.00 0.00 N ATOM 439 NH2 ARG A 47 14.942 -6.317 19.712 1.00 0.00 N ATOM 0 H ARG A 47 14.174 -10.586 15.874 1.00 0.00 H new ATOM 0 HA ARG A 47 15.434 -8.224 17.033 1.00 0.00 H new ATOM 0 HB2 ARG A 47 16.274 -10.441 18.154 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.039 -10.768 16.612 1.00 0.00 H new ATOM 0 HG2 ARG A 47 18.796 -9.701 17.583 1.00 0.00 H new ATOM 0 HG3 ARG A 47 17.973 -8.271 16.991 1.00 0.00 H new ATOM 0 HD2 ARG A 47 17.925 -9.424 19.796 1.00 0.00 H new ATOM 0 HD3 ARG A 47 18.501 -7.849 19.289 1.00 0.00 H new ATOM 0 HE ARG A 47 15.629 -8.681 19.435 1.00 0.00 H new ATOM 0 HH11 ARG A 47 18.134 -6.187 19.290 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.990 -4.867 19.554 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.176 -6.989 19.765 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.754 -5.320 19.822 1.00 0.00 H new ATOM 453 N VAL A 48 16.565 -7.749 14.873 1.00 0.00 N ATOM 454 CA VAL A 48 17.098 -7.388 13.566 1.00 0.00 C ATOM 455 C VAL A 48 18.429 -8.101 13.333 1.00 0.00 C ATOM 456 O VAL A 48 19.261 -8.186 14.238 1.00 0.00 O ATOM 457 CB VAL A 48 17.302 -5.857 13.448 1.00 0.00 C ATOM 458 CG1 VAL A 48 17.751 -5.470 12.046 1.00 0.00 C ATOM 459 CG2 VAL A 48 16.025 -5.115 13.820 1.00 0.00 C ATOM 0 H VAL A 48 16.673 -7.024 15.582 1.00 0.00 H new ATOM 0 HA VAL A 48 16.377 -7.698 12.810 1.00 0.00 H new ATOM 0 HB VAL A 48 18.088 -5.570 14.147 1.00 0.00 H new ATOM 0 HG11 VAL A 48 17.886 -4.390 11.992 1.00 0.00 H new ATOM 0 HG12 VAL A 48 18.694 -5.966 11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 48 16.994 -5.777 11.324 1.00 0.00 H new ATOM 0 HG21 VAL A 48 16.189 -4.041 13.731 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.221 -5.416 13.149 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.750 -5.356 14.847 1.00 0.00 H new ATOM 469 N GLY A 49 18.620 -8.615 12.128 1.00 0.00 N ATOM 470 CA GLY A 49 19.816 -9.371 11.814 1.00 0.00 C ATOM 471 C GLY A 49 19.647 -10.839 12.110 1.00 0.00 C ATOM 472 O GLY A 49 20.515 -11.649 11.792 1.00 0.00 O ATOM 0 H GLY A 49 17.962 -8.521 11.355 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.063 -9.239 10.760 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.655 -8.979 12.389 1.00 0.00 H new ATOM 476 N MET A 50 18.524 -11.182 12.717 1.00 0.00 N ATOM 477 CA MET A 50 18.195 -12.569 12.967 1.00 0.00 C ATOM 478 C MET A 50 17.851 -13.251 11.650 1.00 0.00 C ATOM 479 O MET A 50 17.417 -12.594 10.700 1.00 0.00 O ATOM 480 CB MET A 50 17.018 -12.670 13.936 1.00 0.00 C ATOM 481 CG MET A 50 17.419 -13.037 15.355 1.00 0.00 C ATOM 482 SD MET A 50 17.443 -14.819 15.630 1.00 0.00 S ATOM 483 CE MET A 50 15.875 -15.055 16.468 1.00 0.00 C ATOM 0 H MET A 50 17.825 -10.515 13.045 1.00 0.00 H new ATOM 0 HA MET A 50 19.054 -13.065 13.418 1.00 0.00 H new ATOM 0 HB2 MET A 50 16.491 -11.716 13.953 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.316 -13.415 13.563 1.00 0.00 H new ATOM 0 HG2 MET A 50 18.406 -12.627 15.567 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.724 -12.574 16.056 1.00 0.00 H new ATOM 0 HE1 MET A 50 15.799 -16.086 16.815 1.00 0.00 H new ATOM 0 HE2 MET A 50 15.813 -14.379 17.321 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.058 -14.844 15.778 1.00 0.00 H new ATOM 493 N THR A 51 18.057 -14.554 11.585 1.00 0.00 N ATOM 494 CA THR A 51 17.807 -15.293 10.367 1.00 0.00 C ATOM 495 C THR A 51 16.315 -15.544 10.180 1.00 0.00 C ATOM 496 O THR A 51 15.586 -15.740 11.153 1.00 0.00 O ATOM 497 CB THR A 51 18.556 -16.631 10.381 1.00 0.00 C ATOM 498 OG1 THR A 51 18.988 -16.935 11.718 1.00 0.00 O ATOM 499 CG2 THR A 51 19.760 -16.579 9.455 1.00 0.00 C ATOM 0 H THR A 51 18.397 -15.120 12.363 1.00 0.00 H new ATOM 0 HA THR A 51 18.170 -14.691 9.534 1.00 0.00 H new ATOM 0 HB THR A 51 17.879 -17.410 10.032 1.00 0.00 H new ATOM 0 HG1 THR A 51 19.597 -17.703 11.698 1.00 0.00 H new ATOM 0 HG21 THR A 51 20.279 -17.537 9.478 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.428 -16.371 8.438 1.00 0.00 H new ATOM 0 HG23 THR A 51 20.438 -15.791 9.784 1.00 0.00 H new ATOM 507 N GLN A 52 15.877 -15.538 8.926 1.00 0.00 N ATOM 508 CA GLN A 52 14.474 -15.746 8.581 1.00 0.00 C ATOM 509 C GLN A 52 13.929 -17.023 9.219 1.00 0.00 C ATOM 510 O GLN A 52 12.784 -17.063 9.668 1.00 0.00 O ATOM 511 CB GLN A 52 14.318 -15.777 7.051 1.00 0.00 C ATOM 512 CG GLN A 52 13.447 -16.907 6.510 1.00 0.00 C ATOM 513 CD GLN A 52 14.171 -17.762 5.482 1.00 0.00 C ATOM 514 OE1 GLN A 52 15.352 -18.077 5.639 1.00 0.00 O ATOM 515 NE2 GLN A 52 13.469 -18.150 4.427 1.00 0.00 N ATOM 0 H GLN A 52 16.484 -15.389 8.120 1.00 0.00 H new ATOM 0 HA GLN A 52 13.889 -14.916 8.977 1.00 0.00 H new ATOM 0 HB2 GLN A 52 13.896 -14.826 6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 52 15.308 -15.856 6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.121 -17.538 7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.549 -16.485 6.059 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.493 -17.869 4.332 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.905 -18.730 3.710 1.00 0.00 H new ATOM 524 N GLN A 53 14.767 -18.051 9.297 1.00 0.00 N ATOM 525 CA GLN A 53 14.345 -19.330 9.854 1.00 0.00 C ATOM 526 C GLN A 53 14.133 -19.207 11.356 1.00 0.00 C ATOM 527 O GLN A 53 13.166 -19.735 11.897 1.00 0.00 O ATOM 528 CB GLN A 53 15.373 -20.429 9.562 1.00 0.00 C ATOM 529 CG GLN A 53 16.113 -20.252 8.246 1.00 0.00 C ATOM 530 CD GLN A 53 17.493 -19.657 8.435 1.00 0.00 C ATOM 531 OE1 GLN A 53 17.972 -19.517 9.559 1.00 0.00 O ATOM 532 NE2 GLN A 53 18.134 -19.291 7.339 1.00 0.00 N ATOM 0 H GLN A 53 15.737 -18.024 8.983 1.00 0.00 H new ATOM 0 HA GLN A 53 13.404 -19.607 9.379 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.099 -20.457 10.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.866 -21.394 9.554 1.00 0.00 H new ATOM 0 HG2 GLN A 53 16.202 -21.218 7.749 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.530 -19.608 7.588 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.700 -19.425 6.426 1.00 0.00 H new ATOM 0 HE22 GLN A 53 19.063 -18.875 7.406 1.00 0.00 H new ATOM 541 N GLN A 54 15.025 -18.484 12.017 1.00 0.00 N ATOM 542 CA GLN A 54 14.968 -18.337 13.465 1.00 0.00 C ATOM 543 C GLN A 54 13.862 -17.371 13.866 1.00 0.00 C ATOM 544 O GLN A 54 13.217 -17.552 14.898 1.00 0.00 O ATOM 545 CB GLN A 54 16.317 -17.858 14.006 1.00 0.00 C ATOM 546 CG GLN A 54 17.162 -18.970 14.609 1.00 0.00 C ATOM 547 CD GLN A 54 17.195 -20.213 13.740 1.00 0.00 C ATOM 548 OE1 GLN A 54 16.717 -21.274 14.138 1.00 0.00 O ATOM 549 NE2 GLN A 54 17.759 -20.088 12.546 1.00 0.00 N ATOM 0 H GLN A 54 15.799 -17.989 11.573 1.00 0.00 H new ATOM 0 HA GLN A 54 14.745 -19.312 13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 54 16.876 -17.386 13.198 1.00 0.00 H new ATOM 0 HB3 GLN A 54 16.144 -17.093 14.763 1.00 0.00 H new ATOM 0 HG2 GLN A 54 18.179 -18.608 14.758 1.00 0.00 H new ATOM 0 HG3 GLN A 54 16.768 -19.228 15.592 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.143 -19.189 12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.808 -20.891 11.919 1.00 0.00 H new ATOM 558 N VAL A 55 13.642 -16.350 13.046 1.00 0.00 N ATOM 559 CA VAL A 55 12.538 -15.426 13.266 1.00 0.00 C ATOM 560 C VAL A 55 11.215 -16.174 13.146 1.00 0.00 C ATOM 561 O VAL A 55 10.335 -16.047 13.999 1.00 0.00 O ATOM 562 CB VAL A 55 12.564 -14.249 12.263 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.292 -13.411 12.362 1.00 0.00 C ATOM 564 CG2 VAL A 55 13.793 -13.380 12.491 1.00 0.00 C ATOM 0 H VAL A 55 14.212 -16.142 12.226 1.00 0.00 H new ATOM 0 HA VAL A 55 12.644 -15.011 14.268 1.00 0.00 H new ATOM 0 HB VAL A 55 12.614 -14.667 11.258 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.340 -12.591 11.645 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.427 -14.036 12.142 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.200 -13.006 13.370 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.794 -12.557 11.776 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.773 -12.980 13.505 1.00 0.00 H new ATOM 0 HG23 VAL A 55 14.693 -13.980 12.355 1.00 0.00 H new ATOM 574 N ALA A 56 11.099 -16.982 12.094 1.00 0.00 N ATOM 575 CA ALA A 56 9.913 -17.799 11.882 1.00 0.00 C ATOM 576 C ALA A 56 9.743 -18.798 13.015 1.00 0.00 C ATOM 577 O ALA A 56 8.633 -19.025 13.495 1.00 0.00 O ATOM 578 CB ALA A 56 10.000 -18.529 10.552 1.00 0.00 C ATOM 0 H ALA A 56 11.815 -17.086 11.375 1.00 0.00 H new ATOM 0 HA ALA A 56 9.045 -17.141 11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.105 -19.135 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.079 -17.803 9.743 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.879 -19.174 10.548 1.00 0.00 H new ATOM 584 N TYR A 57 10.858 -19.383 13.439 1.00 0.00 N ATOM 585 CA TYR A 57 10.865 -20.351 14.527 1.00 0.00 C ATOM 586 C TYR A 57 10.338 -19.726 15.814 1.00 0.00 C ATOM 587 O TYR A 57 9.459 -20.279 16.468 1.00 0.00 O ATOM 588 CB TYR A 57 12.287 -20.872 14.754 1.00 0.00 C ATOM 589 CG TYR A 57 12.523 -22.275 14.240 1.00 0.00 C ATOM 590 CD1 TYR A 57 12.279 -22.607 12.912 1.00 0.00 C ATOM 591 CD2 TYR A 57 12.998 -23.268 15.086 1.00 0.00 C ATOM 592 CE1 TYR A 57 12.503 -23.889 12.444 1.00 0.00 C ATOM 593 CE2 TYR A 57 13.223 -24.549 14.627 1.00 0.00 C ATOM 594 CZ TYR A 57 12.976 -24.856 13.308 1.00 0.00 C ATOM 595 OH TYR A 57 13.202 -26.135 12.848 1.00 0.00 O ATOM 0 H TYR A 57 11.778 -19.200 13.039 1.00 0.00 H new ATOM 0 HA TYR A 57 10.213 -21.179 14.250 1.00 0.00 H new ATOM 0 HB2 TYR A 57 12.991 -20.196 14.269 1.00 0.00 H new ATOM 0 HB3 TYR A 57 12.505 -20.847 15.822 1.00 0.00 H new ATOM 0 HD1 TYR A 57 11.909 -21.851 12.235 1.00 0.00 H new ATOM 0 HD2 TYR A 57 13.195 -23.033 16.122 1.00 0.00 H new ATOM 0 HE1 TYR A 57 12.309 -24.132 11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 57 13.592 -25.309 15.300 1.00 0.00 H new ATOM 0 HH TYR A 57 13.535 -26.693 13.582 1.00 0.00 H new ATOM 605 N ALA A 58 10.868 -18.557 16.154 1.00 0.00 N ATOM 606 CA ALA A 58 10.557 -17.903 17.419 1.00 0.00 C ATOM 607 C ALA A 58 9.160 -17.282 17.421 1.00 0.00 C ATOM 608 O ALA A 58 8.474 -17.285 18.442 1.00 0.00 O ATOM 609 CB ALA A 58 11.607 -16.847 17.732 1.00 0.00 C ATOM 0 H ALA A 58 11.521 -18.039 15.565 1.00 0.00 H new ATOM 0 HA ALA A 58 10.569 -18.668 18.195 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.366 -16.364 18.679 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.587 -17.319 17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.621 -16.101 16.937 1.00 0.00 H new ATOM 615 N LEU A 59 8.742 -16.742 16.286 1.00 0.00 N ATOM 616 CA LEU A 59 7.439 -16.088 16.192 1.00 0.00 C ATOM 617 C LEU A 59 6.314 -17.103 16.028 1.00 0.00 C ATOM 618 O LEU A 59 5.227 -16.940 16.586 1.00 0.00 O ATOM 619 CB LEU A 59 7.416 -15.108 15.016 1.00 0.00 C ATOM 620 CG LEU A 59 7.330 -13.629 15.394 1.00 0.00 C ATOM 621 CD1 LEU A 59 7.580 -12.751 14.175 1.00 0.00 C ATOM 622 CD2 LEU A 59 5.975 -13.316 16.008 1.00 0.00 C ATOM 0 H LEU A 59 9.280 -16.742 15.420 1.00 0.00 H new ATOM 0 HA LEU A 59 7.280 -15.544 17.123 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.316 -15.261 14.420 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.566 -15.352 14.379 1.00 0.00 H new ATOM 0 HG LEU A 59 8.101 -13.416 16.134 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.515 -11.702 14.463 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.573 -12.957 13.776 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.831 -12.965 13.413 1.00 0.00 H new ATOM 0 HD21 LEU A 59 5.930 -12.259 16.271 1.00 0.00 H new ATOM 0 HD22 LEU A 59 5.188 -13.544 15.289 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.834 -13.920 16.904 1.00 0.00 H new ATOM 634 N GLY A 60 6.587 -18.152 15.269 1.00 0.00 N ATOM 635 CA GLY A 60 5.551 -19.106 14.923 1.00 0.00 C ATOM 636 C GLY A 60 5.082 -18.903 13.500 1.00 0.00 C ATOM 637 O GLY A 60 3.890 -18.746 13.236 1.00 0.00 O ATOM 0 H GLY A 60 7.508 -18.362 14.885 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.931 -20.121 15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.709 -18.998 15.606 1.00 0.00 H new ATOM 641 N THR A 61 6.038 -18.889 12.588 1.00 0.00 N ATOM 642 CA THR A 61 5.774 -18.630 11.184 1.00 0.00 C ATOM 643 C THR A 61 6.254 -19.796 10.328 1.00 0.00 C ATOM 644 O THR A 61 7.302 -20.384 10.607 1.00 0.00 O ATOM 645 CB THR A 61 6.489 -17.338 10.742 1.00 0.00 C ATOM 646 OG1 THR A 61 6.369 -16.353 11.776 1.00 0.00 O ATOM 647 CG2 THR A 61 5.913 -16.797 9.442 1.00 0.00 C ATOM 0 H THR A 61 7.021 -19.057 12.801 1.00 0.00 H new ATOM 0 HA THR A 61 4.699 -18.512 11.051 1.00 0.00 H new ATOM 0 HB THR A 61 7.540 -17.570 10.568 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.544 -15.840 11.645 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.441 -15.886 9.161 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.030 -17.542 8.655 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.854 -16.575 9.577 1.00 0.00 H new ATOM 655 N PRO A 62 5.479 -20.171 9.300 1.00 0.00 N ATOM 656 CA PRO A 62 5.900 -21.182 8.332 1.00 0.00 C ATOM 657 C PRO A 62 7.173 -20.744 7.613 1.00 0.00 C ATOM 658 O PRO A 62 7.317 -19.572 7.257 1.00 0.00 O ATOM 659 CB PRO A 62 4.724 -21.264 7.349 1.00 0.00 C ATOM 660 CG PRO A 62 3.562 -20.670 8.073 1.00 0.00 C ATOM 661 CD PRO A 62 4.135 -19.647 9.007 1.00 0.00 C ATOM 0 HA PRO A 62 6.128 -22.141 8.798 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.939 -20.715 6.432 1.00 0.00 H new ATOM 0 HB3 PRO A 62 4.523 -22.296 7.062 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.861 -20.212 7.376 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.012 -21.435 8.622 1.00 0.00 H new ATOM 0 HD2 PRO A 62 4.180 -18.661 8.545 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.536 -19.548 9.912 1.00 0.00 H new ATOM 669 N LEU A 63 8.098 -21.674 7.410 1.00 0.00 N ATOM 670 CA LEU A 63 9.376 -21.350 6.794 1.00 0.00 C ATOM 671 C LEU A 63 9.207 -21.114 5.298 1.00 0.00 C ATOM 672 O LEU A 63 9.323 -22.037 4.490 1.00 0.00 O ATOM 673 CB LEU A 63 10.393 -22.465 7.050 1.00 0.00 C ATOM 674 CG LEU A 63 10.782 -22.661 8.517 1.00 0.00 C ATOM 675 CD1 LEU A 63 11.616 -23.916 8.684 1.00 0.00 C ATOM 676 CD2 LEU A 63 11.532 -21.447 9.039 1.00 0.00 C ATOM 0 H LEU A 63 7.986 -22.656 7.663 1.00 0.00 H new ATOM 0 HA LEU A 63 9.751 -20.431 7.245 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.986 -23.402 6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.295 -22.253 6.476 1.00 0.00 H new ATOM 0 HG LEU A 63 9.869 -22.776 9.101 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.883 -24.038 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.042 -24.781 8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.524 -23.832 8.086 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.800 -21.606 10.084 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.438 -21.298 8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.897 -20.565 8.957 1.00 0.00 H new ATOM 688 N MET A 64 8.906 -19.873 4.947 1.00 0.00 N ATOM 689 CA MET A 64 8.710 -19.484 3.561 1.00 0.00 C ATOM 690 C MET A 64 10.045 -19.310 2.856 1.00 0.00 C ATOM 691 O MET A 64 10.791 -18.370 3.136 1.00 0.00 O ATOM 692 CB MET A 64 7.906 -18.187 3.479 1.00 0.00 C ATOM 693 CG MET A 64 6.457 -18.392 3.072 1.00 0.00 C ATOM 694 SD MET A 64 5.313 -17.415 4.069 1.00 0.00 S ATOM 695 CE MET A 64 4.723 -16.241 2.851 1.00 0.00 C ATOM 0 H MET A 64 8.791 -19.110 5.614 1.00 0.00 H new ATOM 0 HA MET A 64 8.154 -20.278 3.063 1.00 0.00 H new ATOM 0 HB2 MET A 64 7.935 -17.690 4.449 1.00 0.00 H new ATOM 0 HB3 MET A 64 8.384 -17.518 2.763 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.337 -18.126 2.022 1.00 0.00 H new ATOM 0 HG3 MET A 64 6.203 -19.448 3.164 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.005 -15.565 3.315 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.564 -15.666 2.463 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.241 -16.777 2.033 1.00 0.00 H new ATOM 705 N SER A 65 10.346 -20.232 1.959 1.00 0.00 N ATOM 706 CA SER A 65 11.546 -20.153 1.146 1.00 0.00 C ATOM 707 C SER A 65 11.217 -19.539 -0.209 1.00 0.00 C ATOM 708 O SER A 65 10.153 -19.801 -0.775 1.00 0.00 O ATOM 709 CB SER A 65 12.148 -21.547 0.966 1.00 0.00 C ATOM 710 OG SER A 65 11.744 -22.411 2.022 1.00 0.00 O ATOM 0 H SER A 65 9.769 -21.052 1.774 1.00 0.00 H new ATOM 0 HA SER A 65 12.276 -19.519 1.649 1.00 0.00 H new ATOM 0 HB2 SER A 65 11.834 -21.963 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.236 -21.478 0.942 1.00 0.00 H new ATOM 0 HG SER A 65 12.138 -23.298 1.888 1.00 0.00 H new ATOM 716 N ASP A 66 12.120 -18.721 -0.722 1.00 0.00 N ATOM 717 CA ASP A 66 11.909 -18.058 -1.990 1.00 0.00 C ATOM 718 C ASP A 66 13.038 -18.416 -2.947 1.00 0.00 C ATOM 719 O ASP A 66 14.209 -18.385 -2.571 1.00 0.00 O ATOM 720 CB ASP A 66 11.820 -16.542 -1.777 1.00 0.00 C ATOM 721 CG ASP A 66 12.681 -15.756 -2.741 1.00 0.00 C ATOM 722 OD1 ASP A 66 13.876 -15.546 -2.446 1.00 0.00 O ATOM 723 OD2 ASP A 66 12.173 -15.354 -3.804 1.00 0.00 O ATOM 0 H ASP A 66 13.010 -18.502 -0.274 1.00 0.00 H new ATOM 0 HA ASP A 66 10.969 -18.393 -2.429 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.782 -16.226 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.120 -16.306 -0.756 1.00 0.00 H new ATOM 728 N PRO A 67 12.699 -18.809 -4.178 1.00 0.00 N ATOM 729 CA PRO A 67 13.681 -19.148 -5.200 1.00 0.00 C ATOM 730 C PRO A 67 14.051 -17.961 -6.090 1.00 0.00 C ATOM 731 O PRO A 67 14.919 -18.071 -6.958 1.00 0.00 O ATOM 732 CB PRO A 67 12.940 -20.209 -6.008 1.00 0.00 C ATOM 733 CG PRO A 67 11.500 -19.807 -5.938 1.00 0.00 C ATOM 734 CD PRO A 67 11.322 -19.008 -4.666 1.00 0.00 C ATOM 0 HA PRO A 67 14.631 -19.473 -4.775 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.293 -20.239 -7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.094 -21.204 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.224 -19.212 -6.808 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.855 -20.685 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.824 -18.057 -4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.714 -19.545 -3.938 1.00 0.00 H new ATOM 742 N PHE A 68 13.403 -16.827 -5.863 1.00 0.00 N ATOM 743 CA PHE A 68 13.500 -15.702 -6.791 1.00 0.00 C ATOM 744 C PHE A 68 14.430 -14.602 -6.279 1.00 0.00 C ATOM 745 O PHE A 68 15.005 -13.848 -7.067 1.00 0.00 O ATOM 746 CB PHE A 68 12.107 -15.124 -7.049 1.00 0.00 C ATOM 747 CG PHE A 68 11.819 -14.850 -8.498 1.00 0.00 C ATOM 748 CD1 PHE A 68 12.599 -15.412 -9.495 1.00 0.00 C ATOM 749 CD2 PHE A 68 10.763 -14.029 -8.862 1.00 0.00 C ATOM 750 CE1 PHE A 68 12.333 -15.162 -10.827 1.00 0.00 C ATOM 751 CE2 PHE A 68 10.492 -13.774 -10.192 1.00 0.00 C ATOM 752 CZ PHE A 68 11.277 -14.342 -11.176 1.00 0.00 C ATOM 0 H PHE A 68 12.808 -16.659 -5.052 1.00 0.00 H new ATOM 0 HA PHE A 68 13.927 -16.082 -7.719 1.00 0.00 H new ATOM 0 HB2 PHE A 68 11.360 -15.819 -6.665 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.999 -14.197 -6.486 1.00 0.00 H new ATOM 0 HD1 PHE A 68 13.425 -16.054 -9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.145 -13.584 -8.097 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.949 -15.607 -11.594 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.667 -13.131 -10.462 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.066 -14.146 -12.217 1.00 0.00 H new ATOM 762 N GLY A 69 14.579 -14.512 -4.971 1.00 0.00 N ATOM 763 CA GLY A 69 15.391 -13.469 -4.386 1.00 0.00 C ATOM 764 C GLY A 69 14.520 -12.447 -3.706 1.00 0.00 C ATOM 765 O GLY A 69 14.996 -11.416 -3.224 1.00 0.00 O ATOM 0 H GLY A 69 14.149 -15.147 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 69 16.086 -13.901 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.991 -12.989 -5.159 1.00 0.00 H new ATOM 769 N THR A 70 13.227 -12.743 -3.668 1.00 0.00 N ATOM 770 CA THR A 70 12.273 -11.890 -3.003 1.00 0.00 C ATOM 771 C THR A 70 12.199 -12.246 -1.528 1.00 0.00 C ATOM 772 O THR A 70 11.346 -13.027 -1.104 1.00 0.00 O ATOM 773 CB THR A 70 10.871 -12.015 -3.622 1.00 0.00 C ATOM 774 OG1 THR A 70 10.824 -13.126 -4.531 1.00 0.00 O ATOM 775 CG2 THR A 70 10.486 -10.735 -4.349 1.00 0.00 C ATOM 0 H THR A 70 12.821 -13.575 -4.096 1.00 0.00 H new ATOM 0 HA THR A 70 12.612 -10.861 -3.125 1.00 0.00 H new ATOM 0 HB THR A 70 10.158 -12.185 -2.815 1.00 0.00 H new ATOM 0 HG1 THR A 70 9.926 -13.195 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 70 9.491 -10.846 -4.779 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.486 -9.903 -3.645 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.205 -10.538 -5.144 1.00 0.00 H new ATOM 783 N ASN A 71 13.094 -11.668 -0.751 1.00 0.00 N ATOM 784 CA ASN A 71 13.203 -12.005 0.657 1.00 0.00 C ATOM 785 C ASN A 71 12.503 -10.969 1.528 1.00 0.00 C ATOM 786 O ASN A 71 13.088 -10.427 2.471 1.00 0.00 O ATOM 787 CB ASN A 71 14.673 -12.137 1.055 1.00 0.00 C ATOM 788 CG ASN A 71 15.239 -13.511 0.744 1.00 0.00 C ATOM 789 OD1 ASN A 71 14.398 -14.533 0.808 1.00 0.00 O flip ATOM 790 ND2 ASN A 71 16.425 -13.656 0.445 1.00 0.00 N flip ATOM 0 H ASN A 71 13.757 -10.962 -1.070 1.00 0.00 H new ATOM 0 HA ASN A 71 12.708 -12.963 0.817 1.00 0.00 H new ATOM 0 HB2 ASN A 71 15.257 -11.380 0.531 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.776 -11.938 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 71 17.044 -12.846 0.406 1.00 0.00 H new ATOM 0 HD22 ASN A 71 16.788 -14.586 0.237 1.00 0.00 H new ATOM 797 N THR A 72 11.253 -10.689 1.197 1.00 0.00 N ATOM 798 CA THR A 72 10.438 -9.780 1.983 1.00 0.00 C ATOM 799 C THR A 72 9.238 -10.517 2.573 1.00 0.00 C ATOM 800 O THR A 72 8.507 -11.201 1.858 1.00 0.00 O ATOM 801 CB THR A 72 9.938 -8.595 1.138 1.00 0.00 C ATOM 802 OG1 THR A 72 10.259 -8.798 -0.247 1.00 0.00 O ATOM 803 CG2 THR A 72 10.554 -7.289 1.613 1.00 0.00 C ATOM 0 H THR A 72 10.779 -11.082 0.384 1.00 0.00 H new ATOM 0 HA THR A 72 11.065 -9.393 2.786 1.00 0.00 H new ATOM 0 HB THR A 72 8.856 -8.536 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 72 9.934 -8.038 -0.773 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.184 -6.468 0.999 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.281 -7.115 2.654 1.00 0.00 H new ATOM 0 HG23 THR A 72 11.639 -7.346 1.527 1.00 0.00 H new ATOM 811 N TRP A 73 9.043 -10.376 3.877 1.00 0.00 N ATOM 812 CA TRP A 73 7.932 -11.030 4.558 1.00 0.00 C ATOM 813 C TRP A 73 6.830 -10.022 4.850 1.00 0.00 C ATOM 814 O TRP A 73 7.106 -8.875 5.197 1.00 0.00 O ATOM 815 CB TRP A 73 8.410 -11.681 5.857 1.00 0.00 C ATOM 816 CG TRP A 73 8.122 -13.151 5.931 1.00 0.00 C ATOM 817 CD1 TRP A 73 7.095 -13.819 5.325 1.00 0.00 C ATOM 818 CD2 TRP A 73 8.872 -14.136 6.648 1.00 0.00 C ATOM 819 NE1 TRP A 73 7.166 -15.159 5.622 1.00 0.00 N ATOM 820 CE2 TRP A 73 8.246 -15.379 6.436 1.00 0.00 C ATOM 821 CE3 TRP A 73 10.011 -14.085 7.455 1.00 0.00 C ATOM 822 CZ2 TRP A 73 8.725 -16.559 6.997 1.00 0.00 C ATOM 823 CZ3 TRP A 73 10.488 -15.257 8.009 1.00 0.00 C ATOM 824 CH2 TRP A 73 9.845 -16.480 7.780 1.00 0.00 C ATOM 0 H TRP A 73 9.639 -9.815 4.485 1.00 0.00 H new ATOM 0 HA TRP A 73 7.534 -11.808 3.906 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.484 -11.524 5.959 1.00 0.00 H new ATOM 0 HB3 TRP A 73 7.933 -11.182 6.701 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.339 -13.361 4.704 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.519 -15.874 5.290 1.00 0.00 H new ATOM 0 HE3 TRP A 73 10.510 -13.146 7.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 8.231 -17.503 6.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.372 -15.230 8.629 1.00 0.00 H new ATOM 0 HH2 TRP A 73 10.241 -17.378 8.230 1.00 0.00 H new ATOM 835 N PHE A 74 5.585 -10.451 4.698 1.00 0.00 N ATOM 836 CA PHE A 74 4.446 -9.573 4.901 1.00 0.00 C ATOM 837 C PHE A 74 3.505 -10.141 5.956 1.00 0.00 C ATOM 838 O PHE A 74 2.978 -11.243 5.804 1.00 0.00 O ATOM 839 CB PHE A 74 3.690 -9.375 3.584 1.00 0.00 C ATOM 840 CG PHE A 74 4.315 -8.350 2.677 1.00 0.00 C ATOM 841 CD1 PHE A 74 5.312 -8.710 1.783 1.00 0.00 C ATOM 842 CD2 PHE A 74 3.903 -7.028 2.718 1.00 0.00 C ATOM 843 CE1 PHE A 74 5.885 -7.770 0.948 1.00 0.00 C ATOM 844 CE2 PHE A 74 4.473 -6.083 1.885 1.00 0.00 C ATOM 845 CZ PHE A 74 5.466 -6.455 0.998 1.00 0.00 C ATOM 0 H PHE A 74 5.340 -11.405 4.434 1.00 0.00 H new ATOM 0 HA PHE A 74 4.818 -8.610 5.250 1.00 0.00 H new ATOM 0 HB2 PHE A 74 3.637 -10.329 3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 74 2.665 -9.076 3.805 1.00 0.00 H new ATOM 0 HD1 PHE A 74 5.644 -9.737 1.739 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.127 -6.732 3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.661 -8.064 0.256 1.00 0.00 H new ATOM 0 HE2 PHE A 74 4.143 -5.056 1.927 1.00 0.00 H new ATOM 0 HZ PHE A 74 5.913 -5.719 0.346 1.00 0.00 H new ATOM 855 N TYR A 75 3.308 -9.389 7.026 1.00 0.00 N ATOM 856 CA TYR A 75 2.395 -9.779 8.088 1.00 0.00 C ATOM 857 C TYR A 75 1.299 -8.732 8.252 1.00 0.00 C ATOM 858 O TYR A 75 1.548 -7.533 8.099 1.00 0.00 O ATOM 859 CB TYR A 75 3.155 -9.919 9.410 1.00 0.00 C ATOM 860 CG TYR A 75 3.355 -11.345 9.878 1.00 0.00 C ATOM 861 CD1 TYR A 75 2.295 -12.245 9.924 1.00 0.00 C ATOM 862 CD2 TYR A 75 4.604 -11.785 10.299 1.00 0.00 C ATOM 863 CE1 TYR A 75 2.476 -13.539 10.378 1.00 0.00 C ATOM 864 CE2 TYR A 75 4.794 -13.079 10.748 1.00 0.00 C ATOM 865 CZ TYR A 75 3.725 -13.950 10.787 1.00 0.00 C ATOM 866 OH TYR A 75 3.904 -15.234 11.246 1.00 0.00 O ATOM 0 H TYR A 75 3.774 -8.495 7.183 1.00 0.00 H new ATOM 0 HA TYR A 75 1.946 -10.736 7.822 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.131 -9.446 9.304 1.00 0.00 H new ATOM 0 HB3 TYR A 75 2.617 -9.370 10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.315 -11.928 9.600 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.442 -11.104 10.275 1.00 0.00 H new ATOM 0 HE1 TYR A 75 1.642 -14.224 10.412 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.773 -13.406 11.066 1.00 0.00 H new ATOM 0 HH TYR A 75 3.129 -15.781 10.998 1.00 0.00 H new ATOM 876 N VAL A 76 0.095 -9.183 8.563 1.00 0.00 N ATOM 877 CA VAL A 76 -1.005 -8.274 8.840 1.00 0.00 C ATOM 878 C VAL A 76 -0.965 -7.846 10.298 1.00 0.00 C ATOM 879 O VAL A 76 -1.092 -8.673 11.200 1.00 0.00 O ATOM 880 CB VAL A 76 -2.381 -8.904 8.534 1.00 0.00 C ATOM 881 CG1 VAL A 76 -2.873 -8.464 7.164 1.00 0.00 C ATOM 882 CG2 VAL A 76 -2.333 -10.426 8.632 1.00 0.00 C ATOM 0 H VAL A 76 -0.145 -10.172 8.630 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.881 -7.411 8.185 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.087 -8.551 9.286 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.844 -8.917 6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.967 -7.378 7.143 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.161 -8.781 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.318 -10.836 8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.609 -10.814 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.037 -10.717 9.640 1.00 0.00 H new ATOM 892 N PHE A 77 -0.777 -6.557 10.523 1.00 0.00 N ATOM 893 CA PHE A 77 -0.618 -6.038 11.872 1.00 0.00 C ATOM 894 C PHE A 77 -1.945 -5.560 12.433 1.00 0.00 C ATOM 895 O PHE A 77 -2.558 -4.630 11.904 1.00 0.00 O ATOM 896 CB PHE A 77 0.397 -4.893 11.887 1.00 0.00 C ATOM 897 CG PHE A 77 1.569 -5.150 12.787 1.00 0.00 C ATOM 898 CD1 PHE A 77 1.966 -6.446 13.078 1.00 0.00 C ATOM 899 CD2 PHE A 77 2.273 -4.095 13.344 1.00 0.00 C ATOM 900 CE1 PHE A 77 3.042 -6.685 13.907 1.00 0.00 C ATOM 901 CE2 PHE A 77 3.351 -4.329 14.176 1.00 0.00 C ATOM 902 CZ PHE A 77 3.735 -5.625 14.456 1.00 0.00 C ATOM 0 H PHE A 77 -0.731 -5.850 9.789 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.250 -6.849 12.501 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.757 -4.723 10.872 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.103 -3.978 12.205 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.426 -7.278 12.651 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.976 -3.080 13.126 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.342 -7.699 14.126 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.892 -3.499 14.606 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.578 -5.810 15.105 1.00 0.00 H new ATOM 912 N ARG A 78 -2.391 -6.204 13.499 1.00 0.00 N ATOM 913 CA ARG A 78 -3.628 -5.814 14.150 1.00 0.00 C ATOM 914 C ARG A 78 -3.391 -4.644 15.094 1.00 0.00 C ATOM 915 O ARG A 78 -2.832 -4.809 16.181 1.00 0.00 O ATOM 916 CB ARG A 78 -4.229 -6.988 14.920 1.00 0.00 C ATOM 917 CG ARG A 78 -5.696 -7.226 14.608 1.00 0.00 C ATOM 918 CD ARG A 78 -6.606 -6.398 15.500 1.00 0.00 C ATOM 919 NE ARG A 78 -8.001 -6.830 15.404 1.00 0.00 N ATOM 920 CZ ARG A 78 -8.590 -7.650 16.273 1.00 0.00 C ATOM 921 NH1 ARG A 78 -7.929 -8.112 17.326 1.00 0.00 N ATOM 922 NH2 ARG A 78 -9.853 -8.007 16.089 1.00 0.00 N ATOM 0 H ARG A 78 -1.916 -6.997 13.930 1.00 0.00 H new ATOM 0 HA ARG A 78 -4.332 -5.506 13.376 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.665 -7.892 14.689 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.117 -6.807 15.989 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.890 -6.980 13.564 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.927 -8.284 14.735 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.271 -6.477 16.534 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.531 -5.347 15.220 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.557 -6.481 14.623 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.958 -7.840 17.478 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.392 -8.739 17.984 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.371 -7.654 15.284 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.307 -8.635 16.752 1.00 0.00 H new ATOM 936 N GLN A 79 -3.809 -3.467 14.659 1.00 0.00 N ATOM 937 CA GLN A 79 -3.768 -2.271 15.482 1.00 0.00 C ATOM 938 C GLN A 79 -4.637 -1.203 14.836 1.00 0.00 C ATOM 939 O GLN A 79 -4.535 -0.957 13.636 1.00 0.00 O ATOM 940 CB GLN A 79 -2.318 -1.786 15.688 1.00 0.00 C ATOM 941 CG GLN A 79 -1.759 -0.910 14.572 1.00 0.00 C ATOM 942 CD GLN A 79 -1.296 0.440 15.079 1.00 0.00 C ATOM 943 OE1 GLN A 79 -2.109 1.288 15.446 1.00 0.00 O ATOM 944 NE2 GLN A 79 0.009 0.653 15.105 1.00 0.00 N ATOM 0 H GLN A 79 -4.187 -3.314 13.724 1.00 0.00 H new ATOM 0 HA GLN A 79 -4.161 -2.494 16.474 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -2.268 -1.229 16.624 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.673 -2.658 15.801 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.924 -1.422 14.095 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.523 -0.766 13.808 1.00 0.00 H new ATOM 0 HE21 GLN A 79 0.651 -0.075 14.792 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.374 1.546 15.438 1.00 0.00 H new ATOM 953 N GLN A 80 -5.532 -0.618 15.613 1.00 0.00 N ATOM 954 CA GLN A 80 -6.460 0.373 15.085 1.00 0.00 C ATOM 955 C GLN A 80 -6.693 1.486 16.094 1.00 0.00 C ATOM 956 O GLN A 80 -7.188 1.245 17.193 1.00 0.00 O ATOM 957 CB GLN A 80 -7.798 -0.277 14.724 1.00 0.00 C ATOM 958 CG GLN A 80 -7.782 -1.016 13.397 1.00 0.00 C ATOM 959 CD GLN A 80 -7.469 -0.111 12.218 1.00 0.00 C ATOM 960 OE1 GLN A 80 -7.741 1.091 12.249 1.00 0.00 O ATOM 961 NE2 GLN A 80 -6.886 -0.684 11.178 1.00 0.00 N ATOM 0 H GLN A 80 -5.638 -0.810 16.609 1.00 0.00 H new ATOM 0 HA GLN A 80 -6.015 0.798 14.185 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.078 -0.974 15.514 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.568 0.493 14.691 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.042 -1.815 13.441 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -8.752 -1.488 13.238 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.679 -1.683 11.196 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.643 -0.127 10.359 1.00 0.00 H new ATOM 970 N PRO A 81 -6.324 2.720 15.736 1.00 0.00 N ATOM 971 CA PRO A 81 -6.564 3.886 16.581 1.00 0.00 C ATOM 972 C PRO A 81 -7.976 4.439 16.402 1.00 0.00 C ATOM 973 O PRO A 81 -8.374 5.393 17.068 1.00 0.00 O ATOM 974 CB PRO A 81 -5.525 4.886 16.077 1.00 0.00 C ATOM 975 CG PRO A 81 -5.349 4.556 14.633 1.00 0.00 C ATOM 976 CD PRO A 81 -5.621 3.077 14.489 1.00 0.00 C ATOM 0 HA PRO A 81 -6.481 3.660 17.644 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.867 5.912 16.210 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.586 4.790 16.622 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.035 5.137 14.017 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.339 4.798 14.301 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.233 2.867 13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -4.697 2.510 14.376 1.00 0.00 H new ATOM 984 N GLY A 82 -8.724 3.833 15.482 1.00 0.00 N ATOM 985 CA GLY A 82 -10.071 4.284 15.192 1.00 0.00 C ATOM 986 C GLY A 82 -10.089 5.410 14.180 1.00 0.00 C ATOM 987 O GLY A 82 -11.141 5.775 13.652 1.00 0.00 O ATOM 0 H GLY A 82 -8.416 3.032 14.930 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.659 3.448 14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.547 4.618 16.114 1.00 0.00 H new ATOM 991 N HIS A 83 -8.913 5.958 13.914 1.00 0.00 N ATOM 992 CA HIS A 83 -8.763 7.057 12.975 1.00 0.00 C ATOM 993 C HIS A 83 -9.050 6.593 11.555 1.00 0.00 C ATOM 994 O HIS A 83 -8.573 5.535 11.137 1.00 0.00 O ATOM 995 CB HIS A 83 -7.341 7.623 13.050 1.00 0.00 C ATOM 996 CG HIS A 83 -7.283 9.089 13.356 1.00 0.00 C ATOM 997 ND1 HIS A 83 -7.493 10.066 12.412 1.00 0.00 N ATOM 998 CD2 HIS A 83 -7.012 9.739 14.510 1.00 0.00 C ATOM 999 CE1 HIS A 83 -7.359 11.252 12.970 1.00 0.00 C ATOM 1000 NE2 HIS A 83 -7.066 11.083 14.245 1.00 0.00 N ATOM 0 H HIS A 83 -8.039 5.654 14.342 1.00 0.00 H new ATOM 0 HA HIS A 83 -9.478 7.835 13.243 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.785 7.081 13.815 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.838 7.440 12.100 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.718 9.899 11.431 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -6.793 9.284 15.465 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -7.470 12.202 12.468 1.00 0.00 H new ATOM 1009 N GLU A 84 -9.861 7.377 10.848 1.00 0.00 N ATOM 1010 CA GLU A 84 -10.118 7.182 9.422 1.00 0.00 C ATOM 1011 C GLU A 84 -11.065 6.016 9.159 1.00 0.00 C ATOM 1012 O GLU A 84 -12.188 6.210 8.697 1.00 0.00 O ATOM 1013 CB GLU A 84 -8.806 6.977 8.659 1.00 0.00 C ATOM 1014 CG GLU A 84 -8.272 8.241 8.016 1.00 0.00 C ATOM 1015 CD GLU A 84 -7.601 9.180 9.004 1.00 0.00 C ATOM 1016 OE1 GLU A 84 -8.235 9.539 10.015 1.00 0.00 O ATOM 1017 OE2 GLU A 84 -6.448 9.580 8.757 1.00 0.00 O ATOM 0 H GLU A 84 -10.361 8.170 11.250 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.605 8.088 9.061 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.055 6.583 9.344 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.959 6.223 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.557 7.971 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.092 8.766 7.526 1.00 0.00 H new ATOM 1024 N GLY A 85 -10.603 4.812 9.444 1.00 0.00 N ATOM 1025 CA GLY A 85 -11.362 3.624 9.117 1.00 0.00 C ATOM 1026 C GLY A 85 -10.780 2.925 7.910 1.00 0.00 C ATOM 1027 O GLY A 85 -10.750 1.698 7.844 1.00 0.00 O ATOM 0 H GLY A 85 -9.708 4.634 9.900 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.365 2.944 9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -12.400 3.894 8.920 1.00 0.00 H new ATOM 1031 N VAL A 86 -10.294 3.711 6.957 1.00 0.00 N ATOM 1032 CA VAL A 86 -9.599 3.165 5.801 1.00 0.00 C ATOM 1033 C VAL A 86 -8.097 3.264 6.024 1.00 0.00 C ATOM 1034 O VAL A 86 -7.458 4.228 5.599 1.00 0.00 O ATOM 1035 CB VAL A 86 -9.968 3.913 4.498 1.00 0.00 C ATOM 1036 CG1 VAL A 86 -9.566 3.099 3.277 1.00 0.00 C ATOM 1037 CG2 VAL A 86 -11.455 4.236 4.461 1.00 0.00 C ATOM 0 H VAL A 86 -10.369 4.728 6.963 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.904 2.125 5.690 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.415 4.852 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.835 3.644 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.490 2.928 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.085 2.141 3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -11.690 4.762 3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -12.030 3.311 4.509 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -11.712 4.867 5.312 1.00 0.00 H new ATOM 1047 N THR A 87 -7.550 2.249 6.676 1.00 0.00 N ATOM 1048 CA THR A 87 -6.154 2.237 7.074 1.00 0.00 C ATOM 1049 C THR A 87 -5.786 0.844 7.584 1.00 0.00 C ATOM 1050 O THR A 87 -6.517 0.263 8.392 1.00 0.00 O ATOM 1051 CB THR A 87 -5.890 3.303 8.173 1.00 0.00 C ATOM 1052 OG1 THR A 87 -5.542 4.553 7.563 1.00 0.00 O ATOM 1053 CG2 THR A 87 -4.783 2.883 9.137 1.00 0.00 C ATOM 0 H THR A 87 -8.064 1.410 6.944 1.00 0.00 H new ATOM 0 HA THR A 87 -5.534 2.481 6.211 1.00 0.00 H new ATOM 0 HB THR A 87 -6.809 3.406 8.750 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.615 4.516 7.246 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.637 3.662 9.885 1.00 0.00 H new ATOM 0 HG22 THR A 87 -5.064 1.953 9.631 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.856 2.734 8.584 1.00 0.00 H new ATOM 1061 N GLN A 88 -4.672 0.302 7.104 1.00 0.00 N ATOM 1062 CA GLN A 88 -4.239 -1.028 7.509 1.00 0.00 C ATOM 1063 C GLN A 88 -2.726 -1.094 7.611 1.00 0.00 C ATOM 1064 O GLN A 88 -2.012 -0.978 6.617 1.00 0.00 O ATOM 1065 CB GLN A 88 -4.740 -2.098 6.539 1.00 0.00 C ATOM 1066 CG GLN A 88 -4.531 -3.515 7.060 1.00 0.00 C ATOM 1067 CD GLN A 88 -5.005 -3.691 8.497 1.00 0.00 C ATOM 1068 OE1 GLN A 88 -6.205 -3.792 8.755 1.00 0.00 O ATOM 1069 NE2 GLN A 88 -4.071 -3.724 9.446 1.00 0.00 N ATOM 0 H GLN A 88 -4.055 0.763 6.436 1.00 0.00 H new ATOM 0 HA GLN A 88 -4.670 -1.225 8.490 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.801 -1.939 6.348 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.224 -1.987 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -5.064 -4.216 6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.473 -3.768 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.086 -3.637 9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -4.341 -3.836 10.423 1.00 0.00 H new ATOM 1078 N GLN A 89 -2.255 -1.284 8.822 1.00 0.00 N ATOM 1079 CA GLN A 89 -0.836 -1.342 9.093 1.00 0.00 C ATOM 1080 C GLN A 89 -0.273 -2.681 8.643 1.00 0.00 C ATOM 1081 O GLN A 89 -0.872 -3.731 8.887 1.00 0.00 O ATOM 1082 CB GLN A 89 -0.577 -1.129 10.587 1.00 0.00 C ATOM 1083 CG GLN A 89 -1.847 -0.896 11.398 1.00 0.00 C ATOM 1084 CD GLN A 89 -2.441 0.493 11.204 1.00 0.00 C ATOM 1085 OE1 GLN A 89 -1.965 1.278 10.394 1.00 0.00 O ATOM 1086 NE2 GLN A 89 -3.496 0.801 11.938 1.00 0.00 N ATOM 0 H GLN A 89 -2.844 -1.403 9.647 1.00 0.00 H new ATOM 0 HA GLN A 89 -0.336 -0.549 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -0.056 -2.000 10.985 1.00 0.00 H new ATOM 0 HB3 GLN A 89 0.088 -0.274 10.714 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -2.590 -1.643 11.119 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -1.627 -1.045 12.455 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -3.869 0.125 12.604 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.937 1.715 11.838 1.00 0.00 H new ATOM 1095 N THR A 90 0.863 -2.637 7.974 1.00 0.00 N ATOM 1096 CA THR A 90 1.490 -3.835 7.455 1.00 0.00 C ATOM 1097 C THR A 90 2.862 -4.037 8.082 1.00 0.00 C ATOM 1098 O THR A 90 3.659 -3.102 8.166 1.00 0.00 O ATOM 1099 CB THR A 90 1.634 -3.759 5.924 1.00 0.00 C ATOM 1100 OG1 THR A 90 0.745 -2.759 5.404 1.00 0.00 O ATOM 1101 CG2 THR A 90 1.327 -5.103 5.281 1.00 0.00 C ATOM 0 H THR A 90 1.373 -1.776 7.776 1.00 0.00 H new ATOM 0 HA THR A 90 0.851 -4.681 7.710 1.00 0.00 H new ATOM 0 HB THR A 90 2.664 -3.493 5.688 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.840 -2.712 4.430 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.436 -5.022 4.199 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.019 -5.854 5.660 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.305 -5.397 5.522 1.00 0.00 H new ATOM 1109 N LEU A 91 3.126 -5.250 8.535 1.00 0.00 N ATOM 1110 CA LEU A 91 4.420 -5.581 9.093 1.00 0.00 C ATOM 1111 C LEU A 91 5.284 -6.218 8.017 1.00 0.00 C ATOM 1112 O LEU A 91 5.011 -7.329 7.569 1.00 0.00 O ATOM 1113 CB LEU A 91 4.262 -6.527 10.285 1.00 0.00 C ATOM 1114 CG LEU A 91 5.337 -6.416 11.372 1.00 0.00 C ATOM 1115 CD1 LEU A 91 6.325 -7.564 11.260 1.00 0.00 C ATOM 1116 CD2 LEU A 91 6.060 -5.076 11.298 1.00 0.00 C ATOM 0 H LEU A 91 2.459 -6.021 8.526 1.00 0.00 H new ATOM 0 HA LEU A 91 4.903 -4.670 9.447 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.289 -6.345 10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.253 -7.551 9.913 1.00 0.00 H new ATOM 0 HG LEU A 91 4.843 -6.475 12.342 1.00 0.00 H new ATOM 0 HD11 LEU A 91 7.082 -7.470 12.039 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.798 -8.511 11.378 1.00 0.00 H new ATOM 0 HD13 LEU A 91 6.806 -7.536 10.282 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.816 -5.027 12.081 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.539 -4.974 10.324 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.342 -4.267 11.436 1.00 0.00 H new ATOM 1128 N THR A 92 6.304 -5.504 7.583 1.00 0.00 N ATOM 1129 CA THR A 92 7.163 -5.988 6.521 1.00 0.00 C ATOM 1130 C THR A 92 8.535 -6.369 7.060 1.00 0.00 C ATOM 1131 O THR A 92 9.093 -5.686 7.915 1.00 0.00 O ATOM 1132 CB THR A 92 7.314 -4.926 5.419 1.00 0.00 C ATOM 1133 OG1 THR A 92 6.132 -4.115 5.377 1.00 0.00 O ATOM 1134 CG2 THR A 92 7.543 -5.574 4.064 1.00 0.00 C ATOM 0 H THR A 92 6.558 -4.587 7.950 1.00 0.00 H new ATOM 0 HA THR A 92 6.696 -6.877 6.096 1.00 0.00 H new ATOM 0 HB THR A 92 8.181 -4.306 5.649 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.226 -3.436 4.677 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.646 -4.800 3.303 1.00 0.00 H new ATOM 0 HG22 THR A 92 8.452 -6.174 4.097 1.00 0.00 H new ATOM 0 HG23 THR A 92 6.695 -6.213 3.818 1.00 0.00 H new ATOM 1142 N LEU A 93 9.057 -7.477 6.571 1.00 0.00 N ATOM 1143 CA LEU A 93 10.373 -7.949 6.963 1.00 0.00 C ATOM 1144 C LEU A 93 11.291 -7.968 5.753 1.00 0.00 C ATOM 1145 O LEU A 93 10.920 -8.496 4.707 1.00 0.00 O ATOM 1146 CB LEU A 93 10.272 -9.357 7.540 1.00 0.00 C ATOM 1147 CG LEU A 93 10.420 -9.472 9.058 1.00 0.00 C ATOM 1148 CD1 LEU A 93 9.347 -8.661 9.766 1.00 0.00 C ATOM 1149 CD2 LEU A 93 10.352 -10.929 9.488 1.00 0.00 C ATOM 0 H LEU A 93 8.584 -8.074 5.893 1.00 0.00 H new ATOM 0 HA LEU A 93 10.778 -7.277 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.307 -9.776 7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.038 -9.976 7.072 1.00 0.00 H new ATOM 0 HG LEU A 93 11.394 -9.070 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.471 -8.757 10.845 1.00 0.00 H new ATOM 0 HD12 LEU A 93 9.437 -7.612 9.482 1.00 0.00 H new ATOM 0 HD13 LEU A 93 8.363 -9.031 9.480 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.459 -10.994 10.571 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.392 -11.351 9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.157 -11.487 9.010 1.00 0.00 H new ATOM 1161 N THR A 94 12.476 -7.404 5.895 1.00 0.00 N ATOM 1162 CA THR A 94 13.424 -7.360 4.801 1.00 0.00 C ATOM 1163 C THR A 94 14.739 -7.974 5.228 1.00 0.00 C ATOM 1164 O THR A 94 15.497 -7.376 5.988 1.00 0.00 O ATOM 1165 CB THR A 94 13.656 -5.919 4.315 1.00 0.00 C ATOM 1166 OG1 THR A 94 12.510 -5.112 4.613 1.00 0.00 O ATOM 1167 CG2 THR A 94 13.931 -5.889 2.819 1.00 0.00 C ATOM 0 H THR A 94 12.804 -6.970 6.758 1.00 0.00 H new ATOM 0 HA THR A 94 13.005 -7.933 3.974 1.00 0.00 H new ATOM 0 HB THR A 94 14.527 -5.519 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 94 12.769 -4.388 5.220 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.092 -4.859 2.499 1.00 0.00 H new ATOM 0 HG22 THR A 94 14.821 -6.480 2.601 1.00 0.00 H new ATOM 0 HG23 THR A 94 13.078 -6.306 2.284 1.00 0.00 H new ATOM 1175 N PHE A 95 14.995 -9.176 4.748 1.00 0.00 N ATOM 1176 CA PHE A 95 16.205 -9.890 5.097 1.00 0.00 C ATOM 1177 C PHE A 95 17.054 -10.096 3.859 1.00 0.00 C ATOM 1178 O PHE A 95 16.541 -10.437 2.799 1.00 0.00 O ATOM 1179 CB PHE A 95 15.890 -11.243 5.764 1.00 0.00 C ATOM 1180 CG PHE A 95 14.568 -11.860 5.379 1.00 0.00 C ATOM 1181 CD1 PHE A 95 13.378 -11.398 5.926 1.00 0.00 C ATOM 1182 CD2 PHE A 95 14.519 -12.913 4.480 1.00 0.00 C ATOM 1183 CE1 PHE A 95 12.169 -11.974 5.579 1.00 0.00 C ATOM 1184 CE2 PHE A 95 13.314 -13.493 4.132 1.00 0.00 C ATOM 1185 CZ PHE A 95 12.138 -13.024 4.681 1.00 0.00 C ATOM 0 H PHE A 95 14.377 -9.679 4.112 1.00 0.00 H new ATOM 0 HA PHE A 95 16.759 -9.289 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 95 16.686 -11.945 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 95 15.908 -11.109 6.846 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.397 -10.580 6.630 1.00 0.00 H new ATOM 0 HD2 PHE A 95 15.435 -13.286 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 95 11.250 -11.604 6.009 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.293 -14.314 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 95 11.196 -13.476 4.410 1.00 0.00 H new ATOM 1195 N ASN A 96 18.344 -9.860 3.990 1.00 0.00 N ATOM 1196 CA ASN A 96 19.256 -10.037 2.877 1.00 0.00 C ATOM 1197 C ASN A 96 19.455 -11.527 2.605 1.00 0.00 C ATOM 1198 O ASN A 96 19.130 -12.356 3.456 1.00 0.00 O ATOM 1199 CB ASN A 96 20.587 -9.322 3.154 1.00 0.00 C ATOM 1200 CG ASN A 96 21.724 -10.263 3.509 1.00 0.00 C ATOM 1201 OD1 ASN A 96 21.920 -10.497 4.795 1.00 0.00 O flip ATOM 1202 ND2 ASN A 96 22.425 -10.767 2.632 1.00 0.00 N flip ATOM 0 H ASN A 96 18.784 -9.546 4.855 1.00 0.00 H new ATOM 0 HA ASN A 96 18.828 -9.586 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 96 20.868 -8.743 2.274 1.00 0.00 H new ATOM 0 HB3 ASN A 96 20.445 -8.614 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 96 22.240 -10.561 1.650 1.00 0.00 H new ATOM 0 HD22 ASN A 96 23.190 -11.391 2.887 1.00 0.00 H new ATOM 1209 N SER A 97 20.009 -11.840 1.433 1.00 0.00 N ATOM 1210 CA SER A 97 20.089 -13.207 0.903 1.00 0.00 C ATOM 1211 C SER A 97 20.557 -14.259 1.921 1.00 0.00 C ATOM 1212 O SER A 97 20.136 -15.413 1.847 1.00 0.00 O ATOM 1213 CB SER A 97 21.012 -13.215 -0.313 1.00 0.00 C ATOM 1214 OG SER A 97 21.256 -11.893 -0.774 1.00 0.00 O ATOM 0 H SER A 97 20.422 -11.142 0.814 1.00 0.00 H new ATOM 0 HA SER A 97 19.073 -13.494 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 97 21.956 -13.694 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 97 20.563 -13.806 -1.111 1.00 0.00 H new ATOM 0 HG SER A 97 20.417 -11.496 -1.087 1.00 0.00 H new ATOM 1220 N SER A 98 21.408 -13.874 2.870 1.00 0.00 N ATOM 1221 CA SER A 98 21.914 -14.823 3.863 1.00 0.00 C ATOM 1222 C SER A 98 20.834 -15.187 4.885 1.00 0.00 C ATOM 1223 O SER A 98 21.045 -16.037 5.752 1.00 0.00 O ATOM 1224 CB SER A 98 23.135 -14.240 4.577 1.00 0.00 C ATOM 1225 OG SER A 98 23.414 -12.930 4.115 1.00 0.00 O ATOM 0 H SER A 98 21.759 -12.922 2.973 1.00 0.00 H new ATOM 0 HA SER A 98 22.205 -15.733 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 98 22.957 -14.220 5.652 1.00 0.00 H new ATOM 0 HB3 SER A 98 24.000 -14.881 4.408 1.00 0.00 H new ATOM 0 HG SER A 98 22.868 -12.285 4.612 1.00 0.00 H new ATOM 1231 N GLY A 99 19.681 -14.540 4.776 1.00 0.00 N ATOM 1232 CA GLY A 99 18.588 -14.795 5.688 1.00 0.00 C ATOM 1233 C GLY A 99 18.590 -13.836 6.858 1.00 0.00 C ATOM 1234 O GLY A 99 17.832 -14.006 7.803 1.00 0.00 O ATOM 0 H GLY A 99 19.484 -13.837 4.064 1.00 0.00 H new ATOM 0 HA2 GLY A 99 17.642 -14.712 5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.656 -15.818 6.058 1.00 0.00 H new ATOM 1238 N VAL A 100 19.425 -12.814 6.780 1.00 0.00 N ATOM 1239 CA VAL A 100 19.616 -11.887 7.878 1.00 0.00 C ATOM 1240 C VAL A 100 18.695 -10.686 7.724 1.00 0.00 C ATOM 1241 O VAL A 100 18.805 -9.943 6.749 1.00 0.00 O ATOM 1242 CB VAL A 100 21.091 -11.419 7.939 1.00 0.00 C ATOM 1243 CG1 VAL A 100 21.253 -10.160 8.781 1.00 0.00 C ATOM 1244 CG2 VAL A 100 21.980 -12.532 8.473 1.00 0.00 C ATOM 0 H VAL A 100 19.988 -12.605 5.955 1.00 0.00 H new ATOM 0 HA VAL A 100 19.372 -12.400 8.808 1.00 0.00 H new ATOM 0 HB VAL A 100 21.399 -11.175 6.922 1.00 0.00 H new ATOM 0 HG11 VAL A 100 22.302 -9.866 8.798 1.00 0.00 H new ATOM 0 HG12 VAL A 100 20.657 -9.355 8.350 1.00 0.00 H new ATOM 0 HG13 VAL A 100 20.915 -10.357 9.799 1.00 0.00 H new ATOM 0 HG21 VAL A 100 23.013 -12.187 8.509 1.00 0.00 H new ATOM 0 HG22 VAL A 100 21.654 -12.808 9.476 1.00 0.00 H new ATOM 0 HG23 VAL A 100 21.910 -13.400 7.817 1.00 0.00 H new ATOM 1254 N LEU A 101 17.776 -10.529 8.674 1.00 0.00 N ATOM 1255 CA LEU A 101 16.857 -9.389 8.705 1.00 0.00 C ATOM 1256 C LEU A 101 17.632 -8.079 8.659 1.00 0.00 C ATOM 1257 O LEU A 101 18.106 -7.599 9.683 1.00 0.00 O ATOM 1258 CB LEU A 101 16.021 -9.435 9.990 1.00 0.00 C ATOM 1259 CG LEU A 101 14.541 -9.775 9.814 1.00 0.00 C ATOM 1260 CD1 LEU A 101 13.888 -8.826 8.821 1.00 0.00 C ATOM 1261 CD2 LEU A 101 14.371 -11.224 9.372 1.00 0.00 C ATOM 0 H LEU A 101 17.646 -11.186 9.443 1.00 0.00 H new ATOM 0 HA LEU A 101 16.203 -9.446 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.465 -10.169 10.663 1.00 0.00 H new ATOM 0 HB3 LEU A 101 16.095 -8.466 10.483 1.00 0.00 H new ATOM 0 HG LEU A 101 14.044 -9.654 10.777 1.00 0.00 H new ATOM 0 HD11 LEU A 101 12.835 -9.084 8.709 1.00 0.00 H new ATOM 0 HD12 LEU A 101 13.974 -7.802 9.186 1.00 0.00 H new ATOM 0 HD13 LEU A 101 14.387 -8.910 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 101 13.311 -11.446 9.252 1.00 0.00 H new ATOM 0 HD22 LEU A 101 14.883 -11.377 8.422 1.00 0.00 H new ATOM 0 HD23 LEU A 101 14.798 -11.887 10.125 1.00 0.00 H new ATOM 1273 N THR A 102 17.755 -7.502 7.476 1.00 0.00 N ATOM 1274 CA THR A 102 18.532 -6.290 7.309 1.00 0.00 C ATOM 1275 C THR A 102 17.754 -5.087 7.814 1.00 0.00 C ATOM 1276 O THR A 102 18.333 -4.127 8.319 1.00 0.00 O ATOM 1277 CB THR A 102 18.918 -6.083 5.835 1.00 0.00 C ATOM 1278 OG1 THR A 102 18.156 -6.973 5.008 1.00 0.00 O ATOM 1279 CG2 THR A 102 20.403 -6.338 5.627 1.00 0.00 C ATOM 0 H THR A 102 17.327 -7.854 6.620 1.00 0.00 H new ATOM 0 HA THR A 102 19.446 -6.393 7.894 1.00 0.00 H new ATOM 0 HB THR A 102 18.701 -5.051 5.561 1.00 0.00 H new ATOM 0 HG1 THR A 102 18.402 -6.838 4.069 1.00 0.00 H new ATOM 0 HG21 THR A 102 20.655 -6.186 4.577 1.00 0.00 H new ATOM 0 HG22 THR A 102 20.980 -5.648 6.242 1.00 0.00 H new ATOM 0 HG23 THR A 102 20.640 -7.363 5.912 1.00 0.00 H new ATOM 1287 N ASN A 103 16.436 -5.157 7.690 1.00 0.00 N ATOM 1288 CA ASN A 103 15.566 -4.090 8.155 1.00 0.00 C ATOM 1289 C ASN A 103 14.141 -4.604 8.307 1.00 0.00 C ATOM 1290 O ASN A 103 13.678 -5.424 7.515 1.00 0.00 O ATOM 1291 CB ASN A 103 15.626 -2.890 7.185 1.00 0.00 C ATOM 1292 CG ASN A 103 14.267 -2.443 6.669 1.00 0.00 C ATOM 1293 OD1 ASN A 103 13.749 -2.988 5.696 1.00 0.00 O ATOM 1294 ND2 ASN A 103 13.689 -1.438 7.301 1.00 0.00 N ATOM 0 H ASN A 103 15.946 -5.946 7.269 1.00 0.00 H new ATOM 0 HA ASN A 103 15.910 -3.750 9.132 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.105 -2.051 7.690 1.00 0.00 H new ATOM 0 HB3 ASN A 103 16.257 -3.153 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.784 -1.090 6.985 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.148 -1.010 8.105 1.00 0.00 H new ATOM 1301 N ILE A 104 13.470 -4.163 9.355 1.00 0.00 N ATOM 1302 CA ILE A 104 12.052 -4.431 9.512 1.00 0.00 C ATOM 1303 C ILE A 104 11.276 -3.171 9.165 1.00 0.00 C ATOM 1304 O ILE A 104 11.685 -2.065 9.524 1.00 0.00 O ATOM 1305 CB ILE A 104 11.687 -4.871 10.951 1.00 0.00 C ATOM 1306 CG1 ILE A 104 12.091 -6.330 11.184 1.00 0.00 C ATOM 1307 CG2 ILE A 104 10.193 -4.680 11.206 1.00 0.00 C ATOM 1308 CD1 ILE A 104 13.098 -6.512 12.300 1.00 0.00 C ATOM 0 H ILE A 104 13.884 -3.617 10.111 1.00 0.00 H new ATOM 0 HA ILE A 104 11.792 -5.252 8.844 1.00 0.00 H new ATOM 0 HB ILE A 104 12.238 -4.246 11.654 1.00 0.00 H new ATOM 0 HG12 ILE A 104 11.199 -6.913 11.413 1.00 0.00 H new ATOM 0 HG13 ILE A 104 12.507 -6.734 10.261 1.00 0.00 H new ATOM 0 HG21 ILE A 104 9.954 -4.994 12.222 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.934 -3.629 11.081 1.00 0.00 H new ATOM 0 HG23 ILE A 104 9.623 -5.281 10.497 1.00 0.00 H new ATOM 0 HD11 ILE A 104 13.336 -7.570 12.406 1.00 0.00 H new ATOM 0 HD12 ILE A 104 14.006 -5.958 12.064 1.00 0.00 H new ATOM 0 HD13 ILE A 104 12.678 -6.139 13.234 1.00 0.00 H new ATOM 1320 N ASP A 105 10.173 -3.335 8.469 1.00 0.00 N ATOM 1321 CA ASP A 105 9.338 -2.214 8.100 1.00 0.00 C ATOM 1322 C ASP A 105 8.056 -2.219 8.925 1.00 0.00 C ATOM 1323 O ASP A 105 7.135 -2.994 8.664 1.00 0.00 O ATOM 1324 CB ASP A 105 9.012 -2.289 6.613 1.00 0.00 C ATOM 1325 CG ASP A 105 9.139 -0.951 5.918 1.00 0.00 C ATOM 1326 OD1 ASP A 105 10.267 -0.414 5.854 1.00 0.00 O ATOM 1327 OD2 ASP A 105 8.116 -0.422 5.443 1.00 0.00 O ATOM 0 H ASP A 105 9.832 -4.240 8.145 1.00 0.00 H new ATOM 0 HA ASP A 105 9.873 -1.286 8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.679 -3.007 6.135 1.00 0.00 H new ATOM 0 HB3 ASP A 105 7.996 -2.664 6.487 1.00 0.00 H new ATOM 1332 N ASN A 106 8.010 -1.363 9.933 1.00 0.00 N ATOM 1333 CA ASN A 106 6.830 -1.225 10.773 1.00 0.00 C ATOM 1334 C ASN A 106 6.222 0.156 10.570 1.00 0.00 C ATOM 1335 O ASN A 106 6.741 1.160 11.065 1.00 0.00 O ATOM 1336 CB ASN A 106 7.192 -1.447 12.249 1.00 0.00 C ATOM 1337 CG ASN A 106 6.192 -0.824 13.214 1.00 0.00 C ATOM 1338 OD1 ASN A 106 6.488 0.176 13.869 1.00 0.00 O ATOM 1339 ND2 ASN A 106 5.005 -1.412 13.314 1.00 0.00 N ATOM 0 H ASN A 106 8.782 -0.749 10.191 1.00 0.00 H new ATOM 0 HA ASN A 106 6.097 -1.981 10.490 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.256 -2.518 12.443 1.00 0.00 H new ATOM 0 HB3 ASN A 106 8.180 -1.029 12.441 1.00 0.00 H new ATOM 0 HD21 ASN A 106 4.302 -1.036 13.950 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.797 -2.239 12.755 1.00 0.00 H new ATOM 1346 N LYS A 107 5.141 0.207 9.809 1.00 0.00 N ATOM 1347 CA LYS A 107 4.506 1.474 9.486 1.00 0.00 C ATOM 1348 C LYS A 107 2.987 1.340 9.483 1.00 0.00 C ATOM 1349 O LYS A 107 2.432 0.445 8.845 1.00 0.00 O ATOM 1350 CB LYS A 107 4.990 1.979 8.120 1.00 0.00 C ATOM 1351 CG LYS A 107 6.339 2.683 8.166 1.00 0.00 C ATOM 1352 CD LYS A 107 7.386 1.929 7.364 1.00 0.00 C ATOM 1353 CE LYS A 107 8.639 1.652 8.189 1.00 0.00 C ATOM 1354 NZ LYS A 107 9.879 1.816 7.385 1.00 0.00 N ATOM 0 H LYS A 107 4.686 -0.611 9.405 1.00 0.00 H new ATOM 0 HA LYS A 107 4.785 2.196 10.253 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.055 1.135 7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.247 2.665 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.237 3.695 7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 107 6.668 2.775 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.966 0.986 7.013 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.653 2.508 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.668 2.328 9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.595 0.638 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.591 2.327 7.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.250 0.880 7.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.665 2.356 6.522 1.00 0.00 H new ATOM 1368 N PRO A 108 2.299 2.213 10.233 1.00 0.00 N ATOM 1369 CA PRO A 108 0.842 2.321 10.191 1.00 0.00 C ATOM 1370 C PRO A 108 0.387 2.943 8.868 1.00 0.00 C ATOM 1371 O PRO A 108 1.112 3.747 8.278 1.00 0.00 O ATOM 1372 CB PRO A 108 0.506 3.263 11.361 1.00 0.00 C ATOM 1373 CG PRO A 108 1.764 3.380 12.156 1.00 0.00 C ATOM 1374 CD PRO A 108 2.885 3.162 11.186 1.00 0.00 C ATOM 0 HA PRO A 108 0.348 1.352 10.268 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.179 4.238 10.998 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -0.305 2.861 11.968 1.00 0.00 H new ATOM 0 HG2 PRO A 108 1.839 4.361 12.626 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.791 2.640 12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.188 4.090 10.701 1.00 0.00 H new ATOM 0 HD3 PRO A 108 3.770 2.753 11.674 1.00 0.00 H new ATOM 1382 N ALA A 109 -0.808 2.594 8.409 1.00 0.00 N ATOM 1383 CA ALA A 109 -1.339 3.136 7.159 1.00 0.00 C ATOM 1384 C ALA A 109 -1.945 4.521 7.381 1.00 0.00 C ATOM 1385 O ALA A 109 -2.983 4.859 6.810 1.00 0.00 O ATOM 1386 CB ALA A 109 -2.369 2.194 6.571 1.00 0.00 C ATOM 0 H ALA A 109 -1.430 1.938 8.882 1.00 0.00 H new ATOM 0 HA ALA A 109 -0.515 3.236 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.755 2.611 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.906 1.228 6.371 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -3.189 2.064 7.278 1.00 0.00 H new ATOM 1392 N LEU A 110 -1.287 5.306 8.218 1.00 0.00 N ATOM 1393 CA LEU A 110 -1.755 6.633 8.578 1.00 0.00 C ATOM 1394 C LEU A 110 -0.562 7.536 8.852 1.00 0.00 C ATOM 1395 O LEU A 110 0.443 7.093 9.412 1.00 0.00 O ATOM 1396 CB LEU A 110 -2.646 6.565 9.814 1.00 0.00 C ATOM 1397 CG LEU A 110 -3.882 7.449 9.746 1.00 0.00 C ATOM 1398 CD1 LEU A 110 -5.119 6.648 10.089 1.00 0.00 C ATOM 1399 CD2 LEU A 110 -3.735 8.640 10.674 1.00 0.00 C ATOM 0 H LEU A 110 -0.411 5.040 8.668 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.337 7.039 7.751 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.961 5.532 9.964 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -2.058 6.849 10.687 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.988 7.824 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.996 7.293 10.036 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.229 5.827 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.024 6.246 11.098 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.628 9.262 10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.606 8.290 11.698 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.864 9.226 10.379 1.00 0.00 H new ATOM 1411 N SER A 111 -0.664 8.787 8.442 1.00 0.00 N ATOM 1412 CA SER A 111 0.385 9.758 8.688 1.00 0.00 C ATOM 1413 C SER A 111 -0.191 10.978 9.394 1.00 0.00 C ATOM 1414 O SER A 111 -1.221 11.515 8.976 1.00 0.00 O ATOM 1415 CB SER A 111 1.055 10.159 7.372 1.00 0.00 C ATOM 1416 OG SER A 111 1.407 9.014 6.610 1.00 0.00 O ATOM 0 H SER A 111 -1.468 9.156 7.934 1.00 0.00 H new ATOM 0 HA SER A 111 1.141 9.309 9.333 1.00 0.00 H new ATOM 0 HB2 SER A 111 0.381 10.791 6.794 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.947 10.750 7.579 1.00 0.00 H new ATOM 0 HG SER A 111 1.832 9.296 5.773 1.00 0.00 H new ATOM 1422 N GLY A 112 0.477 11.399 10.464 1.00 0.00 N ATOM 1423 CA GLY A 112 -0.012 12.488 11.290 1.00 0.00 C ATOM 1424 C GLY A 112 -0.148 13.787 10.529 1.00 0.00 C ATOM 1425 O GLY A 112 -1.211 14.406 10.530 1.00 0.00 O ATOM 0 H GLY A 112 1.361 10.998 10.777 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.981 12.214 11.708 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.667 12.634 12.130 1.00 0.00 H new ATOM 1429 N ASN A 113 0.925 14.194 9.862 1.00 0.00 N ATOM 1430 CA ASN A 113 0.917 15.436 9.092 1.00 0.00 C ATOM 1431 C ASN A 113 0.369 15.195 7.689 1.00 0.00 C ATOM 1432 O ASN A 113 1.023 15.499 6.689 1.00 0.00 O ATOM 1433 CB ASN A 113 2.323 16.041 9.014 1.00 0.00 C ATOM 1434 CG ASN A 113 2.292 17.557 8.933 1.00 0.00 C ATOM 1435 OD1 ASN A 113 1.701 18.224 9.780 1.00 0.00 O ATOM 1436 ND2 ASN A 113 2.934 18.110 7.917 1.00 0.00 N ATOM 0 H ASN A 113 1.809 13.686 9.837 1.00 0.00 H new ATOM 0 HA ASN A 113 0.266 16.144 9.605 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.896 15.737 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 113 2.840 15.643 8.141 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.951 19.125 7.816 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.412 17.522 7.235 1.00 0.00 H new ATOM 1443 N LEU A 114 -0.832 14.640 7.632 1.00 0.00 N ATOM 1444 CA LEU A 114 -1.502 14.360 6.371 1.00 0.00 C ATOM 1445 C LEU A 114 -2.972 14.055 6.623 1.00 0.00 C ATOM 1446 O LEU A 114 -3.853 14.739 6.098 1.00 0.00 O ATOM 1447 CB LEU A 114 -0.837 13.179 5.646 1.00 0.00 C ATOM 1448 CG LEU A 114 -1.761 12.368 4.734 1.00 0.00 C ATOM 1449 CD1 LEU A 114 -1.717 12.909 3.313 1.00 0.00 C ATOM 1450 CD2 LEU A 114 -1.376 10.898 4.758 1.00 0.00 C ATOM 0 H LEU A 114 -1.369 14.371 8.457 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.420 15.241 5.735 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.008 13.560 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.411 12.509 6.393 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.781 12.462 5.106 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -2.380 12.320 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.041 13.950 3.310 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.698 12.845 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.043 10.336 4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.349 10.785 4.411 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.460 10.517 5.776 1.00 0.00 H new ATOM 1462 N GLU A 115 -3.209 13.040 7.458 1.00 0.00 N ATOM 1463 CA GLU A 115 -4.549 12.533 7.740 1.00 0.00 C ATOM 1464 C GLU A 115 -5.174 11.914 6.491 1.00 0.00 C ATOM 1465 O GLU A 115 -5.498 12.609 5.526 1.00 0.00 O ATOM 1466 CB GLU A 115 -5.457 13.632 8.304 1.00 0.00 C ATOM 1467 CG GLU A 115 -6.040 13.297 9.667 1.00 0.00 C ATOM 1468 CD GLU A 115 -7.357 14.000 9.936 1.00 0.00 C ATOM 1469 OE1 GLU A 115 -7.573 15.105 9.396 1.00 0.00 O ATOM 1470 OE2 GLU A 115 -8.184 13.451 10.697 1.00 0.00 O ATOM 0 H GLU A 115 -2.471 12.546 7.959 1.00 0.00 H new ATOM 0 HA GLU A 115 -4.450 11.756 8.498 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -4.889 14.559 8.379 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -6.272 13.814 7.604 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.188 12.219 9.738 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -5.323 13.572 10.441 1.00 0.00 H new ATOM 1477 N HIS A 116 -5.361 10.601 6.523 1.00 0.00 N ATOM 1478 CA HIS A 116 -5.957 9.884 5.401 1.00 0.00 C ATOM 1479 C HIS A 116 -7.451 10.184 5.331 1.00 0.00 C ATOM 1480 O HIS A 116 -8.141 9.762 4.405 1.00 0.00 O ATOM 1481 CB HIS A 116 -5.721 8.375 5.532 1.00 0.00 C ATOM 1482 CG HIS A 116 -5.853 7.630 4.239 1.00 0.00 C ATOM 1483 ND1 HIS A 116 -6.289 6.323 4.160 1.00 0.00 N ATOM 1484 CD2 HIS A 116 -5.615 8.020 2.963 1.00 0.00 C ATOM 1485 CE1 HIS A 116 -6.307 5.945 2.896 1.00 0.00 C ATOM 1486 NE2 HIS A 116 -5.905 6.957 2.149 1.00 0.00 N ATOM 0 H HIS A 116 -5.108 10.009 7.314 1.00 0.00 H new ATOM 0 HA HIS A 116 -5.482 10.221 4.480 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -4.724 8.206 5.938 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -6.431 7.966 6.251 1.00 0.00 H new ATOM 0 HD1 HIS A 116 -6.555 5.741 4.954 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -5.262 8.990 2.646 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -6.601 4.971 2.533 1.00 0.00 H new ATOM 1495 N HIS A 117 -7.935 10.901 6.341 1.00 0.00 N ATOM 1496 CA HIS A 117 -9.310 11.381 6.376 1.00 0.00 C ATOM 1497 C HIS A 117 -9.585 12.239 5.156 1.00 0.00 C ATOM 1498 O HIS A 117 -10.657 12.177 4.559 1.00 0.00 O ATOM 1499 CB HIS A 117 -9.541 12.215 7.636 1.00 0.00 C ATOM 1500 CG HIS A 117 -10.387 11.548 8.670 1.00 0.00 C ATOM 1501 ND1 HIS A 117 -10.242 11.793 10.015 1.00 0.00 N ATOM 1502 CD2 HIS A 117 -11.390 10.649 8.558 1.00 0.00 C ATOM 1503 CE1 HIS A 117 -11.117 11.071 10.689 1.00 0.00 C ATOM 1504 NE2 HIS A 117 -11.829 10.367 9.828 1.00 0.00 N ATOM 0 H HIS A 117 -7.384 11.165 7.158 1.00 0.00 H new ATOM 0 HA HIS A 117 -9.981 10.522 6.381 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -8.575 12.460 8.077 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -10.010 13.157 7.353 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -9.564 12.433 10.428 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -11.775 10.230 7.640 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.231 11.058 11.763 1.00 0.00 H new ATOM 1513 N HIS A 118 -8.594 13.034 4.795 1.00 0.00 N ATOM 1514 CA HIS A 118 -8.711 13.929 3.667 1.00 0.00 C ATOM 1515 C HIS A 118 -8.246 13.237 2.400 1.00 0.00 C ATOM 1516 O HIS A 118 -7.120 12.744 2.328 1.00 0.00 O ATOM 1517 CB HIS A 118 -7.890 15.197 3.899 1.00 0.00 C ATOM 1518 CG HIS A 118 -8.706 16.358 4.367 1.00 0.00 C ATOM 1519 ND1 HIS A 118 -8.260 17.259 5.308 1.00 0.00 N ATOM 1520 CD2 HIS A 118 -9.952 16.758 4.027 1.00 0.00 C ATOM 1521 CE1 HIS A 118 -9.198 18.159 5.531 1.00 0.00 C ATOM 1522 NE2 HIS A 118 -10.234 17.878 4.765 1.00 0.00 N ATOM 0 H HIS A 118 -7.694 13.075 5.273 1.00 0.00 H new ATOM 0 HA HIS A 118 -9.759 14.208 3.557 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -7.114 14.988 4.635 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -7.385 15.468 2.972 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -10.603 16.284 3.308 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -9.129 18.985 6.223 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -11.104 18.408 4.728 1.00 0.00 H new ATOM 1531 N HIS A 119 -9.123 13.177 1.415 1.00 0.00 N ATOM 1532 CA HIS A 119 -8.752 12.668 0.109 1.00 0.00 C ATOM 1533 C HIS A 119 -7.829 13.671 -0.564 1.00 0.00 C ATOM 1534 O HIS A 119 -6.912 13.305 -1.300 1.00 0.00 O ATOM 1535 CB HIS A 119 -9.993 12.421 -0.751 1.00 0.00 C ATOM 1536 CG HIS A 119 -9.784 11.377 -1.803 1.00 0.00 C ATOM 1537 ND1 HIS A 119 -10.105 10.053 -1.616 1.00 0.00 N ATOM 1538 CD2 HIS A 119 -9.276 11.467 -3.054 1.00 0.00 C ATOM 1539 CE1 HIS A 119 -9.802 9.372 -2.703 1.00 0.00 C ATOM 1540 NE2 HIS A 119 -9.298 10.206 -3.593 1.00 0.00 N ATOM 0 H HIS A 119 -10.096 13.474 1.495 1.00 0.00 H new ATOM 0 HA HIS A 119 -8.236 11.715 0.226 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -10.819 12.118 -0.107 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -10.287 13.355 -1.229 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -8.920 12.364 -3.538 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -9.943 8.310 -2.842 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -8.978 9.954 -4.528 1.00 0.00 H new ATOM 1549 N HIS A 120 -8.083 14.939 -0.281 1.00 0.00 N ATOM 1550 CA HIS A 120 -7.254 16.033 -0.754 1.00 0.00 C ATOM 1551 C HIS A 120 -7.601 17.294 0.021 1.00 0.00 C ATOM 1552 O HIS A 120 -8.587 17.320 0.758 1.00 0.00 O ATOM 1553 CB HIS A 120 -7.461 16.266 -2.253 1.00 0.00 C ATOM 1554 CG HIS A 120 -6.179 16.358 -3.022 1.00 0.00 C ATOM 1555 ND1 HIS A 120 -5.825 17.463 -3.767 1.00 0.00 N ATOM 1556 CD2 HIS A 120 -5.158 15.477 -3.152 1.00 0.00 C ATOM 1557 CE1 HIS A 120 -4.646 17.256 -4.324 1.00 0.00 C ATOM 1558 NE2 HIS A 120 -4.220 16.060 -3.965 1.00 0.00 N ATOM 0 H HIS A 120 -8.876 15.238 0.287 1.00 0.00 H new ATOM 0 HA HIS A 120 -6.207 15.777 -0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -8.063 15.454 -2.660 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -8.029 17.186 -2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -5.095 14.498 -2.700 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -4.120 17.948 -4.965 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -3.336 15.637 -4.247 1.00 0.00 H new ATOM 1567 N HIS A 121 -6.788 18.323 -0.128 1.00 0.00 N ATOM 1568 CA HIS A 121 -7.066 19.606 0.492 1.00 0.00 C ATOM 1569 C HIS A 121 -6.909 20.707 -0.542 1.00 0.00 C ATOM 1570 O HIS A 121 -5.822 20.794 -1.144 1.00 0.00 O ATOM 1571 CB HIS A 121 -6.135 19.853 1.686 1.00 0.00 C ATOM 1572 CG HIS A 121 -6.209 21.249 2.234 1.00 0.00 C ATOM 1573 ND1 HIS A 121 -5.099 22.034 2.448 1.00 0.00 N ATOM 1574 CD2 HIS A 121 -7.275 22.005 2.596 1.00 0.00 C ATOM 1575 CE1 HIS A 121 -5.477 23.209 2.914 1.00 0.00 C ATOM 1576 NE2 HIS A 121 -6.793 23.220 3.013 1.00 0.00 N ATOM 1577 OXT HIS A 121 -7.880 21.453 -0.766 1.00 0.00 O ATOM 0 H HIS A 121 -5.927 18.296 -0.675 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.090 19.603 0.866 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.382 19.148 2.479 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.109 19.645 1.383 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -8.312 21.706 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -4.819 24.026 3.172 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -7.358 24.002 3.344 1.00 0.00 H new TER 1586 HIS A 121