USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 834 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 97 ASN : amide:sc= 0.955 K(o=2.1,f=-1) USER MOD Set 1.2: A 101 GLN : amide:sc= 1.16 K(o=2.1,f=-0.006) USER MOD Set 2.1: A 74 HIS : no HD1:sc= -0.313 K(o=-0.46,f=-1.1) USER MOD Set 2.2: A 96 MET CE :methyl -107:sc= -0.148 (180deg=-0.24) USER MOD Set 3.1: A 84 ASN : amide:sc= -0.171 K(o=1,f=-5.5!) USER MOD Set 3.2: A 86 TYR OH : rot -38:sc= 1.2 USER MOD Set 4.1: A 72 LYS NZ :NH3+ 146:sc= 0.0266 (180deg=0) USER MOD Set 4.2: A 89 GLN : amide:sc= -0.287 K(o=-0.26,f=-3) USER MOD Set 5.1: A 32 ASN : amide:sc= 0.00717 X(o=0.0072,f=0) USER MOD Set 5.2: A 33 GLN : amide:sc= 0 X(o=0.0072,f=0.0072) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -126:sc= 1.29 (180deg=0.44) USER MOD Single : A 6 ASN : amide:sc= 0.0284 X(o=0.028,f=-0.42) USER MOD Single : A 8 LYS NZ :NH3+ 153:sc= 1.24 (180deg=0.619) USER MOD Single : A 9 HIS : no HE2:sc= -0.874! C(o=-0.87!,f=-7!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.809 K(o=0.81,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0175) USER MOD Single : A 19 SER OG : rot 180:sc= -0.212 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= 1.24 K(o=1.2,f=-9.3!) USER MOD Single : A 25 ASN : amide:sc= -0.0808 X(o=-0.081,f=-0.091) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot -82:sc= 0.625 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 35 MET CE :methyl -149:sc= -0.379 (180deg=-0.535) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 149:sc= 1.24 (180deg=0.274) USER MOD Single : A 42 LYS NZ :NH3+ 161:sc= -0.0319 (180deg=-0.348) USER MOD Single : A 43 SER OG : rot 58:sc= -0.0487 USER MOD Single : A 46 SER OG : rot 80:sc= 0.123 USER MOD Single : A 50 TYR OH : rot 165:sc= 0.77 USER MOD Single : A 51 HIS : no HE2:sc= 0.936 K(o=0.94,f=-2.8!) USER MOD Single : A 52 SER OG : rot 66:sc= 1.3 USER MOD Single : A 57 SER OG : rot -76:sc= 1.23 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 5:sc= 0.529 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.128) USER MOD Single : A 73 LYS NZ :NH3+ -138:sc= 0.746 (180deg=0.131) USER MOD Single : A 77 LYS NZ :NH3+ -119:sc= 1.16 (180deg=-0.111) USER MOD Single : A 81 SER OG : rot -90:sc= 1.1 USER MOD Single : A 91 LYS NZ :NH3+ -116:sc= 1.09 (180deg=-1.76!) USER MOD Single : A 98 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A 104 SER OG : rot 57:sc= 1.29 USER MOD Single : A 105 SER OG : rot -17:sc= 0.724 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.814 -13.921 -16.189 1.00 1.74 N ATOM 2 CA MET A 1 -9.260 -12.594 -16.685 1.00 1.02 C ATOM 3 C MET A 1 -9.269 -11.599 -15.525 1.00 0.87 C ATOM 4 O MET A 1 -10.169 -11.628 -14.676 1.00 1.29 O ATOM 5 CB MET A 1 -10.653 -12.681 -17.327 1.00 1.60 C ATOM 6 CG MET A 1 -11.021 -11.388 -18.063 1.00 2.33 C ATOM 7 SD MET A 1 -9.900 -11.023 -19.428 1.00 3.31 S ATOM 8 CE MET A 1 -10.149 -9.250 -19.621 1.00 4.33 C ATOM 0 H1 MET A 1 -8.014 -14.255 -16.763 1.00 1.74 H new ATOM 0 H2 MET A 1 -8.516 -13.838 -15.196 1.00 1.74 H new ATOM 0 H3 MET A 1 -9.599 -14.600 -16.260 1.00 1.74 H new ATOM 0 HA MET A 1 -8.564 -12.254 -17.452 1.00 1.02 H new ATOM 0 HB2 MET A 1 -10.680 -13.517 -18.025 1.00 1.60 H new ATOM 0 HB3 MET A 1 -11.396 -12.885 -16.556 1.00 1.60 H new ATOM 0 HG2 MET A 1 -12.039 -11.469 -18.445 1.00 2.33 H new ATOM 0 HG3 MET A 1 -11.011 -10.557 -17.357 1.00 2.33 H new ATOM 0 HE1 MET A 1 -9.520 -8.880 -20.431 1.00 4.33 H new ATOM 0 HE2 MET A 1 -11.195 -9.053 -19.855 1.00 4.33 H new ATOM 0 HE3 MET A 1 -9.883 -8.742 -18.694 1.00 4.33 H new ATOM 20 N GLU A 2 -8.258 -10.728 -15.489 1.00 0.51 N ATOM 21 CA GLU A 2 -8.119 -9.719 -14.435 1.00 0.37 C ATOM 22 C GLU A 2 -7.753 -8.367 -15.046 1.00 0.34 C ATOM 23 O GLU A 2 -7.037 -8.298 -16.049 1.00 0.48 O ATOM 24 CB GLU A 2 -7.033 -10.145 -13.439 1.00 0.53 C ATOM 25 CG GLU A 2 -7.360 -11.497 -12.783 1.00 0.96 C ATOM 26 CD GLU A 2 -6.659 -12.649 -13.496 1.00 1.61 C ATOM 27 OE1 GLU A 2 -5.412 -12.656 -13.552 1.00 2.09 O ATOM 28 OE2 GLU A 2 -7.350 -13.548 -14.009 1.00 2.16 O ATOM 0 H GLU A 2 -7.515 -10.702 -16.187 1.00 0.51 H new ATOM 0 HA GLU A 2 -9.070 -9.628 -13.911 1.00 0.37 H new ATOM 0 HB2 GLU A 2 -6.074 -10.213 -13.953 1.00 0.53 H new ATOM 0 HB3 GLU A 2 -6.928 -9.382 -12.667 1.00 0.53 H new ATOM 0 HG2 GLU A 2 -7.057 -11.477 -11.736 1.00 0.96 H new ATOM 0 HG3 GLU A 2 -8.438 -11.659 -12.800 1.00 0.96 H new ATOM 35 N GLY A 3 -8.244 -7.299 -14.434 1.00 0.25 N ATOM 36 CA GLY A 3 -7.975 -5.942 -14.905 1.00 0.28 C ATOM 37 C GLY A 3 -8.897 -4.934 -14.228 1.00 0.22 C ATOM 38 O GLY A 3 -9.759 -5.298 -13.417 1.00 0.22 O ATOM 0 H GLY A 3 -8.835 -7.344 -13.604 1.00 0.25 H new ATOM 0 HA2 GLY A 3 -6.936 -5.683 -14.702 1.00 0.28 H new ATOM 0 HA3 GLY A 3 -8.110 -5.895 -15.986 1.00 0.28 H new ATOM 42 N PHE A 4 -8.714 -3.662 -14.579 1.00 0.24 N ATOM 43 CA PHE A 4 -9.525 -2.570 -14.030 1.00 0.21 C ATOM 44 C PHE A 4 -10.792 -2.392 -14.859 1.00 0.22 C ATOM 45 O PHE A 4 -10.788 -2.598 -16.074 1.00 0.27 O ATOM 46 CB PHE A 4 -8.728 -1.261 -14.018 1.00 0.23 C ATOM 47 CG PHE A 4 -7.740 -1.185 -12.883 1.00 0.26 C ATOM 48 CD1 PHE A 4 -8.193 -0.949 -11.596 1.00 0.30 C ATOM 49 CD2 PHE A 4 -6.386 -1.347 -13.122 1.00 0.34 C ATOM 50 CE1 PHE A 4 -7.293 -0.877 -10.548 1.00 0.37 C ATOM 51 CE2 PHE A 4 -5.485 -1.276 -12.074 1.00 0.41 C ATOM 52 CZ PHE A 4 -5.936 -1.038 -10.787 1.00 0.41 C ATOM 0 H PHE A 4 -8.005 -3.358 -15.247 1.00 0.24 H new ATOM 0 HA PHE A 4 -9.797 -2.825 -13.006 1.00 0.21 H new ATOM 0 HB2 PHE A 4 -8.196 -1.157 -14.964 1.00 0.23 H new ATOM 0 HB3 PHE A 4 -9.420 -0.421 -13.948 1.00 0.23 H new ATOM 0 HD1 PHE A 4 -9.249 -0.821 -11.410 1.00 0.30 H new ATOM 0 HD2 PHE A 4 -6.033 -1.529 -14.126 1.00 0.34 H new ATOM 0 HE1 PHE A 4 -7.647 -0.695 -9.544 1.00 0.37 H new ATOM 0 HE2 PHE A 4 -4.429 -1.406 -12.260 1.00 0.41 H new ATOM 0 HZ PHE A 4 -5.232 -0.978 -9.970 1.00 0.41 H new ATOM 62 N LEU A 5 -11.871 -2.010 -14.195 1.00 0.19 N ATOM 63 CA LEU A 5 -13.167 -1.804 -14.851 1.00 0.21 C ATOM 64 C LEU A 5 -13.951 -0.703 -14.139 1.00 0.20 C ATOM 65 O LEU A 5 -13.929 -0.607 -12.910 1.00 0.21 O ATOM 66 CB LEU A 5 -13.990 -3.106 -14.810 1.00 0.23 C ATOM 67 CG LEU A 5 -13.785 -3.981 -16.051 1.00 0.24 C ATOM 68 CD1 LEU A 5 -14.606 -5.268 -15.928 1.00 0.27 C ATOM 69 CD2 LEU A 5 -14.165 -3.232 -17.329 1.00 0.31 C ATOM 0 H LEU A 5 -11.881 -1.833 -13.191 1.00 0.19 H new ATOM 0 HA LEU A 5 -12.987 -1.513 -15.886 1.00 0.21 H new ATOM 0 HB2 LEU A 5 -13.716 -3.675 -13.921 1.00 0.23 H new ATOM 0 HB3 LEU A 5 -15.047 -2.859 -14.717 1.00 0.23 H new ATOM 0 HG LEU A 5 -12.727 -4.235 -16.114 1.00 0.24 H new ATOM 0 HD11 LEU A 5 -14.454 -5.883 -16.815 1.00 0.27 H new ATOM 0 HD12 LEU A 5 -14.287 -5.820 -15.044 1.00 0.27 H new ATOM 0 HD13 LEU A 5 -15.663 -5.018 -15.837 1.00 0.27 H new ATOM 0 HD21 LEU A 5 -14.008 -3.880 -18.191 1.00 0.31 H new ATOM 0 HD22 LEU A 5 -15.214 -2.940 -17.281 1.00 0.31 H new ATOM 0 HD23 LEU A 5 -13.544 -2.341 -17.427 1.00 0.31 H new ATOM 81 N ASN A 6 -14.687 0.091 -14.912 1.00 0.22 N ATOM 82 CA ASN A 6 -15.532 1.154 -14.353 1.00 0.23 C ATOM 83 C ASN A 6 -16.881 0.527 -14.012 1.00 0.22 C ATOM 84 O ASN A 6 -17.565 0.028 -14.898 1.00 0.26 O ATOM 85 CB ASN A 6 -15.681 2.322 -15.356 1.00 0.28 C ATOM 86 CG ASN A 6 -15.228 3.648 -14.738 1.00 0.72 C ATOM 87 OD1 ASN A 6 -14.205 3.712 -14.055 1.00 1.49 O ATOM 88 ND2 ASN A 6 -15.979 4.710 -14.992 1.00 1.24 N ATOM 0 H ASN A 6 -14.718 0.022 -15.929 1.00 0.22 H new ATOM 0 HA ASN A 6 -15.081 1.577 -13.455 1.00 0.23 H new ATOM 0 HB2 ASN A 6 -15.092 2.115 -16.249 1.00 0.28 H new ATOM 0 HB3 ASN A 6 -16.721 2.402 -15.672 1.00 0.28 H new ATOM 0 HD21 ASN A 6 -15.717 5.622 -14.617 1.00 1.24 H new ATOM 0 HD22 ASN A 6 -16.819 4.616 -15.562 1.00 1.24 H new ATOM 95 N ARG A 7 -17.228 0.502 -12.723 1.00 0.23 N ATOM 96 CA ARG A 7 -18.475 -0.117 -12.262 1.00 0.24 C ATOM 97 C ARG A 7 -19.491 0.933 -11.808 1.00 0.25 C ATOM 98 O ARG A 7 -19.180 1.821 -11.012 1.00 0.32 O ATOM 99 CB ARG A 7 -18.167 -1.083 -11.104 1.00 0.28 C ATOM 100 CG ARG A 7 -19.424 -1.809 -10.605 1.00 0.34 C ATOM 101 CD ARG A 7 -19.072 -2.933 -9.615 1.00 0.54 C ATOM 102 NE ARG A 7 -19.325 -2.519 -8.224 1.00 0.95 N ATOM 103 CZ ARG A 7 -20.169 -3.183 -7.424 1.00 1.16 C ATOM 104 NH1 ARG A 7 -19.918 -4.446 -7.090 1.00 1.46 N ATOM 105 NH2 ARG A 7 -21.249 -2.574 -6.948 1.00 1.71 N ATOM 0 H ARG A 7 -16.661 0.905 -11.977 1.00 0.23 H new ATOM 0 HA ARG A 7 -18.914 -0.663 -13.097 1.00 0.24 H new ATOM 0 HB2 ARG A 7 -17.431 -1.817 -11.432 1.00 0.28 H new ATOM 0 HB3 ARG A 7 -17.719 -0.528 -10.280 1.00 0.28 H new ATOM 0 HG2 ARG A 7 -20.091 -1.094 -10.123 1.00 0.34 H new ATOM 0 HG3 ARG A 7 -19.965 -2.227 -11.454 1.00 0.34 H new ATOM 0 HD2 ARG A 7 -19.661 -3.821 -9.845 1.00 0.54 H new ATOM 0 HD3 ARG A 7 -18.023 -3.207 -9.730 1.00 0.54 H new ATOM 0 HE ARG A 7 -18.841 -1.699 -7.858 1.00 0.95 H new ATOM 0 HH11 ARG A 7 -19.081 -4.910 -7.443 1.00 1.46 H new ATOM 0 HH12 ARG A 7 -20.562 -4.950 -6.481 1.00 1.46 H new ATOM 0 HH21 ARG A 7 -21.435 -1.601 -7.192 1.00 1.71 H new ATOM 0 HH22 ARG A 7 -21.892 -3.079 -6.339 1.00 1.71 H new ATOM 119 N LYS A 8 -20.716 0.795 -12.307 1.00 0.27 N ATOM 120 CA LYS A 8 -21.822 1.680 -11.958 1.00 0.29 C ATOM 121 C LYS A 8 -23.038 0.817 -11.661 1.00 0.29 C ATOM 122 O LYS A 8 -23.650 0.254 -12.568 1.00 0.38 O ATOM 123 CB LYS A 8 -22.117 2.647 -13.107 1.00 0.36 C ATOM 124 CG LYS A 8 -23.080 3.772 -12.686 1.00 0.37 C ATOM 125 CD LYS A 8 -24.197 3.993 -13.721 1.00 0.50 C ATOM 126 CE LYS A 8 -25.545 3.449 -13.227 1.00 0.62 C ATOM 127 NZ LYS A 8 -26.228 4.405 -12.305 1.00 1.02 N ATOM 0 H LYS A 8 -20.970 0.062 -12.969 1.00 0.27 H new ATOM 0 HA LYS A 8 -21.564 2.277 -11.083 1.00 0.29 H new ATOM 0 HB2 LYS A 8 -21.183 3.084 -13.461 1.00 0.36 H new ATOM 0 HB3 LYS A 8 -22.548 2.095 -13.943 1.00 0.36 H new ATOM 0 HG2 LYS A 8 -23.523 3.527 -11.721 1.00 0.37 H new ATOM 0 HG3 LYS A 8 -22.520 4.698 -12.554 1.00 0.37 H new ATOM 0 HD2 LYS A 8 -24.290 5.058 -13.934 1.00 0.50 H new ATOM 0 HD3 LYS A 8 -23.928 3.503 -14.657 1.00 0.50 H new ATOM 0 HE2 LYS A 8 -26.190 3.246 -14.082 1.00 0.62 H new ATOM 0 HE3 LYS A 8 -25.387 2.500 -12.714 1.00 0.62 H new ATOM 0 HZ1 LYS A 8 -27.256 4.258 -12.352 1.00 1.02 H new ATOM 0 HZ2 LYS A 8 -25.899 4.243 -11.332 1.00 1.02 H new ATOM 0 HZ3 LYS A 8 -26.004 5.380 -12.588 1.00 1.02 H new ATOM 141 N HIS A 9 -23.368 0.697 -10.384 1.00 0.43 N ATOM 142 CA HIS A 9 -24.500 -0.112 -9.942 1.00 0.52 C ATOM 143 C HIS A 9 -25.800 0.694 -10.005 1.00 0.58 C ATOM 144 O HIS A 9 -25.963 1.685 -9.297 1.00 0.73 O ATOM 145 CB HIS A 9 -24.258 -0.652 -8.514 1.00 0.68 C ATOM 146 CG HIS A 9 -23.832 0.376 -7.495 1.00 0.88 C ATOM 147 ND1 HIS A 9 -23.636 0.070 -6.174 1.00 1.21 N ATOM 148 CD2 HIS A 9 -23.565 1.709 -7.582 1.00 1.22 C ATOM 149 CE1 HIS A 9 -23.277 1.125 -5.491 1.00 1.69 C ATOM 150 NE2 HIS A 9 -23.221 2.153 -6.320 1.00 1.75 N ATOM 0 H HIS A 9 -22.863 1.155 -9.625 1.00 0.43 H new ATOM 0 HA HIS A 9 -24.596 -0.963 -10.617 1.00 0.52 H new ATOM 0 HB2 HIS A 9 -25.174 -1.127 -8.164 1.00 0.68 H new ATOM 0 HB3 HIS A 9 -23.495 -1.428 -8.562 1.00 0.68 H new ATOM 0 HD1 HIS A 9 -23.755 -0.861 -5.775 1.00 1.21 H new ATOM 0 HD2 HIS A 9 -23.614 2.311 -8.477 1.00 1.22 H new ATOM 0 HE1 HIS A 9 -23.063 1.152 -4.433 1.00 1.69 H new ATOM 158 N GLU A 10 -26.724 0.245 -10.850 1.00 0.60 N ATOM 159 CA GLU A 10 -28.030 0.896 -11.002 1.00 0.73 C ATOM 160 C GLU A 10 -28.968 0.373 -9.914 1.00 0.83 C ATOM 161 O GLU A 10 -29.666 1.136 -9.256 1.00 1.00 O ATOM 162 CB GLU A 10 -28.605 0.606 -12.401 1.00 0.79 C ATOM 163 CG GLU A 10 -29.892 1.395 -12.678 1.00 1.28 C ATOM 164 CD GLU A 10 -29.674 2.885 -12.441 1.00 1.19 C ATOM 165 OE1 GLU A 10 -28.690 3.439 -12.966 1.00 1.52 O ATOM 166 OE2 GLU A 10 -30.495 3.512 -11.742 1.00 1.72 O ATOM 0 H GLU A 10 -26.595 -0.573 -11.446 1.00 0.60 H new ATOM 0 HA GLU A 10 -27.923 1.976 -10.899 1.00 0.73 H new ATOM 0 HB2 GLU A 10 -27.860 0.855 -13.156 1.00 0.79 H new ATOM 0 HB3 GLU A 10 -28.809 -0.461 -12.493 1.00 0.79 H new ATOM 0 HG2 GLU A 10 -30.212 1.229 -13.707 1.00 1.28 H new ATOM 0 HG3 GLU A 10 -30.692 1.033 -12.033 1.00 1.28 H new ATOM 173 N TRP A 11 -28.938 -0.942 -9.721 1.00 0.82 N ATOM 174 CA TRP A 11 -29.736 -1.626 -8.710 1.00 0.96 C ATOM 175 C TRP A 11 -28.856 -2.704 -8.086 1.00 0.94 C ATOM 176 O TRP A 11 -28.231 -3.487 -8.805 1.00 0.84 O ATOM 177 CB TRP A 11 -30.984 -2.235 -9.365 1.00 1.08 C ATOM 178 CG TRP A 11 -31.868 -3.020 -8.438 1.00 1.26 C ATOM 179 CD1 TRP A 11 -32.653 -2.536 -7.429 1.00 1.54 C ATOM 180 CD2 TRP A 11 -32.070 -4.445 -8.466 1.00 1.26 C ATOM 181 NE1 TRP A 11 -33.308 -3.587 -6.846 1.00 1.67 N ATOM 182 CE2 TRP A 11 -32.978 -4.761 -7.452 1.00 1.51 C ATOM 183 CE3 TRP A 11 -31.564 -5.479 -9.252 1.00 1.19 C ATOM 184 CZ2 TRP A 11 -33.387 -6.061 -7.215 1.00 1.62 C ATOM 185 CZ3 TRP A 11 -31.968 -6.783 -9.024 1.00 1.35 C ATOM 186 CH2 TRP A 11 -32.873 -7.071 -8.012 1.00 1.53 C ATOM 0 H TRP A 11 -28.351 -1.570 -10.270 1.00 0.82 H new ATOM 0 HA TRP A 11 -30.075 -0.936 -7.937 1.00 0.96 H new ATOM 0 HB2 TRP A 11 -31.571 -1.432 -9.810 1.00 1.08 H new ATOM 0 HB3 TRP A 11 -30.667 -2.887 -10.179 1.00 1.08 H new ATOM 0 HD1 TRP A 11 -32.741 -1.499 -7.140 1.00 1.54 H new ATOM 0 HE1 TRP A 11 -33.956 -3.502 -6.063 1.00 1.67 H new ATOM 0 HE3 TRP A 11 -30.857 -5.263 -10.039 1.00 1.19 H new ATOM 0 HZ2 TRP A 11 -34.091 -6.284 -6.427 1.00 1.62 H new ATOM 0 HZ3 TRP A 11 -31.577 -7.581 -9.637 1.00 1.35 H new ATOM 0 HH2 TRP A 11 -33.180 -8.093 -7.844 1.00 1.53 H new ATOM 197 N GLU A 12 -28.780 -2.721 -6.760 1.00 1.16 N ATOM 198 CA GLU A 12 -27.944 -3.684 -6.059 1.00 1.26 C ATOM 199 C GLU A 12 -28.633 -4.170 -4.780 1.00 1.56 C ATOM 200 O GLU A 12 -28.741 -3.427 -3.801 1.00 2.03 O ATOM 201 CB GLU A 12 -26.595 -3.020 -5.735 1.00 1.34 C ATOM 202 CG GLU A 12 -25.521 -4.038 -5.338 1.00 1.63 C ATOM 203 CD GLU A 12 -24.149 -3.368 -5.280 1.00 1.81 C ATOM 204 OE1 GLU A 12 -24.063 -2.189 -4.874 1.00 2.09 O ATOM 205 OE2 GLU A 12 -23.147 -4.026 -5.625 1.00 2.05 O ATOM 0 H GLU A 12 -29.287 -2.079 -6.151 1.00 1.16 H new ATOM 0 HA GLU A 12 -27.779 -4.556 -6.692 1.00 1.26 H new ATOM 0 HB2 GLU A 12 -26.253 -2.456 -6.603 1.00 1.34 H new ATOM 0 HB3 GLU A 12 -26.731 -2.305 -4.924 1.00 1.34 H new ATOM 0 HG2 GLU A 12 -25.763 -4.472 -4.368 1.00 1.63 H new ATOM 0 HG3 GLU A 12 -25.503 -4.857 -6.057 1.00 1.63 H new ATOM 212 N ALA A 13 -29.086 -5.427 -4.815 1.00 1.77 N ATOM 213 CA ALA A 13 -29.763 -6.093 -3.690 1.00 2.14 C ATOM 214 C ALA A 13 -31.234 -5.665 -3.595 1.00 2.15 C ATOM 215 O ALA A 13 -31.986 -5.832 -4.555 1.00 2.54 O ATOM 216 CB ALA A 13 -29.012 -5.846 -2.366 1.00 2.70 C ATOM 0 H ALA A 13 -28.993 -6.023 -5.638 1.00 1.77 H new ATOM 0 HA ALA A 13 -29.749 -7.167 -3.878 1.00 2.14 H new ATOM 0 HB1 ALA A 13 -29.534 -6.349 -1.552 1.00 2.70 H new ATOM 0 HB2 ALA A 13 -27.998 -6.238 -2.444 1.00 2.70 H new ATOM 0 HB3 ALA A 13 -28.972 -4.776 -2.164 1.00 2.70 H new ATOM 222 N HIS A 14 -31.644 -5.134 -2.439 1.00 2.38 N ATOM 223 CA HIS A 14 -33.029 -4.697 -2.216 1.00 2.81 C ATOM 224 C HIS A 14 -33.072 -3.185 -1.985 1.00 2.77 C ATOM 225 O HIS A 14 -32.689 -2.694 -0.919 1.00 3.31 O ATOM 226 CB HIS A 14 -33.634 -5.453 -1.012 1.00 3.51 C ATOM 227 CG HIS A 14 -35.012 -5.982 -1.280 1.00 3.99 C ATOM 228 ND1 HIS A 14 -36.159 -5.408 -0.790 1.00 4.73 N ATOM 229 CD2 HIS A 14 -35.438 -7.048 -2.001 1.00 4.33 C ATOM 230 CE1 HIS A 14 -37.222 -6.068 -1.183 1.00 5.34 C ATOM 231 NE2 HIS A 14 -36.818 -7.084 -1.931 1.00 5.13 N ATOM 0 H HIS A 14 -31.031 -4.995 -1.635 1.00 2.38 H new ATOM 0 HA HIS A 14 -33.623 -4.926 -3.101 1.00 2.81 H new ATOM 0 HB2 HIS A 14 -32.979 -6.282 -0.745 1.00 3.51 H new ATOM 0 HB3 HIS A 14 -33.669 -4.785 -0.152 1.00 3.51 H new ATOM 0 HD2 HIS A 14 -34.810 -7.746 -2.535 1.00 4.33 H new ATOM 0 HE1 HIS A 14 -38.246 -5.826 -0.940 1.00 5.34 H new ATOM 0 HE2 HIS A 14 -37.421 -7.774 -2.378 1.00 5.13 H new ATOM 239 N ASN A 15 -33.533 -2.460 -3.001 1.00 2.64 N ATOM 240 CA ASN A 15 -33.644 -0.994 -2.967 1.00 2.83 C ATOM 241 C ASN A 15 -34.236 -0.511 -4.294 1.00 2.48 C ATOM 242 O ASN A 15 -34.456 -1.305 -5.210 1.00 2.96 O ATOM 243 CB ASN A 15 -32.261 -0.336 -2.746 1.00 3.64 C ATOM 244 CG ASN A 15 -32.391 0.950 -1.923 1.00 4.19 C ATOM 245 OD1 ASN A 15 -33.110 1.876 -2.302 1.00 4.25 O ATOM 246 ND2 ASN A 15 -31.699 1.011 -0.799 1.00 4.99 N ATOM 0 H ASN A 15 -33.844 -2.872 -3.881 1.00 2.64 H new ATOM 0 HA ASN A 15 -34.291 -0.709 -2.137 1.00 2.83 H new ATOM 0 HB2 ASN A 15 -31.599 -1.035 -2.234 1.00 3.64 H new ATOM 0 HB3 ASN A 15 -31.803 -0.111 -3.709 1.00 3.64 H new ATOM 0 HD21 ASN A 15 -31.750 1.845 -0.213 1.00 4.99 H new ATOM 0 HD22 ASN A 15 -31.114 0.224 -0.517 1.00 4.99 H new ATOM 253 N LYS A 16 -34.461 0.794 -4.409 1.00 2.30 N ATOM 254 CA LYS A 16 -34.989 1.385 -5.640 1.00 2.46 C ATOM 255 C LYS A 16 -33.857 1.482 -6.665 1.00 2.10 C ATOM 256 O LYS A 16 -33.986 1.025 -7.804 1.00 2.44 O ATOM 257 CB LYS A 16 -35.585 2.773 -5.352 1.00 3.26 C ATOM 258 CG LYS A 16 -37.106 2.706 -5.199 1.00 3.87 C ATOM 259 CD LYS A 16 -37.797 2.678 -6.563 1.00 4.83 C ATOM 260 CE LYS A 16 -39.323 2.587 -6.431 1.00 5.52 C ATOM 261 NZ LYS A 16 -40.011 3.070 -7.663 1.00 6.03 N ATOM 0 H LYS A 16 -34.286 1.467 -3.663 1.00 2.30 H new ATOM 0 HA LYS A 16 -35.785 0.757 -6.040 1.00 2.46 H new ATOM 0 HB2 LYS A 16 -35.144 3.178 -4.442 1.00 3.26 H new ATOM 0 HB3 LYS A 16 -35.329 3.456 -6.162 1.00 3.26 H new ATOM 0 HG2 LYS A 16 -37.378 1.816 -4.632 1.00 3.87 H new ATOM 0 HG3 LYS A 16 -37.455 3.567 -4.629 1.00 3.87 H new ATOM 0 HD2 LYS A 16 -37.534 3.576 -7.121 1.00 4.83 H new ATOM 0 HD3 LYS A 16 -37.431 1.827 -7.138 1.00 4.83 H new ATOM 0 HE2 LYS A 16 -39.611 1.554 -6.234 1.00 5.52 H new ATOM 0 HE3 LYS A 16 -39.651 3.178 -5.575 1.00 5.52 H new ATOM 0 HZ1 LYS A 16 -41.041 2.994 -7.538 1.00 6.03 H new ATOM 0 HZ2 LYS A 16 -39.756 4.063 -7.837 1.00 6.03 H new ATOM 0 HZ3 LYS A 16 -39.717 2.490 -8.475 1.00 6.03 H new ATOM 275 N LYS A 17 -32.736 2.057 -6.230 1.00 1.88 N ATOM 276 CA LYS A 17 -31.543 2.205 -7.063 1.00 1.62 C ATOM 277 C LYS A 17 -30.312 2.424 -6.176 1.00 1.62 C ATOM 278 O LYS A 17 -30.433 2.714 -4.981 1.00 2.06 O ATOM 279 CB LYS A 17 -31.708 3.365 -8.060 1.00 1.84 C ATOM 280 CG LYS A 17 -32.017 4.697 -7.373 1.00 2.30 C ATOM 281 CD LYS A 17 -31.982 5.849 -8.379 1.00 2.75 C ATOM 282 CE LYS A 17 -31.963 7.212 -7.680 1.00 3.27 C ATOM 283 NZ LYS A 17 -33.183 7.425 -6.854 1.00 3.75 N ATOM 0 H LYS A 17 -32.629 2.434 -5.288 1.00 1.88 H new ATOM 0 HA LYS A 17 -31.405 1.290 -7.638 1.00 1.62 H new ATOM 0 HB2 LYS A 17 -30.795 3.467 -8.646 1.00 1.84 H new ATOM 0 HB3 LYS A 17 -32.510 3.127 -8.758 1.00 1.84 H new ATOM 0 HG2 LYS A 17 -32.999 4.649 -6.902 1.00 2.30 H new ATOM 0 HG3 LYS A 17 -31.292 4.879 -6.580 1.00 2.30 H new ATOM 0 HD2 LYS A 17 -31.100 5.752 -9.012 1.00 2.75 H new ATOM 0 HD3 LYS A 17 -32.852 5.788 -9.033 1.00 2.75 H new ATOM 0 HE2 LYS A 17 -31.078 7.284 -7.047 1.00 3.27 H new ATOM 0 HE3 LYS A 17 -31.886 8.003 -8.426 1.00 3.27 H new ATOM 0 HZ1 LYS A 17 -33.158 8.378 -6.437 1.00 3.75 H new ATOM 0 HZ2 LYS A 17 -34.028 7.331 -7.452 1.00 3.75 H new ATOM 0 HZ3 LYS A 17 -33.216 6.716 -6.094 1.00 3.75 H new ATOM 297 N ALA A 18 -29.132 2.279 -6.768 1.00 1.43 N ATOM 298 CA ALA A 18 -27.860 2.457 -6.054 1.00 1.61 C ATOM 299 C ALA A 18 -27.114 3.672 -6.607 1.00 1.86 C ATOM 300 O ALA A 18 -27.245 4.010 -7.788 1.00 2.10 O ATOM 301 CB ALA A 18 -27.011 1.190 -6.196 1.00 1.58 C ATOM 0 H ALA A 18 -29.023 2.036 -7.753 1.00 1.43 H new ATOM 0 HA ALA A 18 -28.059 2.630 -4.996 1.00 1.61 H new ATOM 0 HB1 ALA A 18 -26.068 1.323 -5.666 1.00 1.58 H new ATOM 0 HB2 ALA A 18 -27.549 0.342 -5.772 1.00 1.58 H new ATOM 0 HB3 ALA A 18 -26.811 1.002 -7.251 1.00 1.58 H new ATOM 307 N SER A 19 -26.337 4.341 -5.751 1.00 2.24 N ATOM 308 CA SER A 19 -25.575 5.532 -6.155 1.00 2.71 C ATOM 309 C SER A 19 -24.370 5.782 -5.231 1.00 2.85 C ATOM 310 O SER A 19 -23.964 6.934 -5.050 1.00 3.33 O ATOM 311 CB SER A 19 -26.482 6.774 -6.153 1.00 3.28 C ATOM 312 OG SER A 19 -27.639 6.576 -6.957 1.00 3.62 O ATOM 0 H SER A 19 -26.217 4.080 -4.772 1.00 2.24 H new ATOM 0 HA SER A 19 -25.202 5.348 -7.162 1.00 2.71 H new ATOM 0 HB2 SER A 19 -26.783 7.004 -5.131 1.00 3.28 H new ATOM 0 HB3 SER A 19 -25.924 7.634 -6.523 1.00 3.28 H new ATOM 0 HG SER A 19 -28.195 7.382 -6.934 1.00 3.62 H new ATOM 318 N SER A 20 -23.782 4.721 -4.667 1.00 2.92 N ATOM 319 CA SER A 20 -22.605 4.862 -3.794 1.00 3.46 C ATOM 320 C SER A 20 -21.363 4.986 -4.676 1.00 3.36 C ATOM 321 O SER A 20 -20.793 3.983 -5.105 1.00 3.74 O ATOM 322 CB SER A 20 -22.479 3.660 -2.845 1.00 4.13 C ATOM 323 OG SER A 20 -23.698 3.445 -2.137 1.00 4.31 O ATOM 0 H SER A 20 -24.097 3.760 -4.797 1.00 2.92 H new ATOM 0 HA SER A 20 -22.711 5.753 -3.176 1.00 3.46 H new ATOM 0 HB2 SER A 20 -22.221 2.767 -3.414 1.00 4.13 H new ATOM 0 HB3 SER A 20 -21.668 3.833 -2.138 1.00 4.13 H new ATOM 0 HG SER A 20 -23.598 2.675 -1.540 1.00 4.31 H new ATOM 329 N ARG A 21 -20.984 6.231 -4.978 1.00 3.28 N ATOM 330 CA ARG A 21 -19.841 6.532 -5.848 1.00 3.37 C ATOM 331 C ARG A 21 -20.107 6.003 -7.262 1.00 2.30 C ATOM 332 O ARG A 21 -19.359 5.171 -7.773 1.00 2.78 O ATOM 333 CB ARG A 21 -18.535 5.936 -5.291 1.00 4.44 C ATOM 334 CG ARG A 21 -18.252 6.394 -3.858 1.00 5.18 C ATOM 335 CD ARG A 21 -16.946 5.788 -3.336 1.00 5.89 C ATOM 336 NE ARG A 21 -17.090 4.344 -3.133 1.00 6.25 N ATOM 337 CZ ARG A 21 -16.664 3.739 -2.027 1.00 6.92 C ATOM 338 NH1 ARG A 21 -17.213 4.039 -0.860 1.00 7.43 N ATOM 339 NH2 ARG A 21 -15.684 2.857 -2.096 1.00 7.30 N ATOM 0 H ARG A 21 -21.461 7.061 -4.626 1.00 3.28 H new ATOM 0 HA ARG A 21 -19.721 7.615 -5.885 1.00 3.37 H new ATOM 0 HB2 ARG A 21 -18.595 4.848 -5.317 1.00 4.44 H new ATOM 0 HB3 ARG A 21 -17.703 6.225 -5.933 1.00 4.44 H new ATOM 0 HG2 ARG A 21 -18.191 7.482 -3.825 1.00 5.18 H new ATOM 0 HG3 ARG A 21 -19.078 6.102 -3.209 1.00 5.18 H new ATOM 0 HD2 ARG A 21 -16.141 5.982 -4.044 1.00 5.89 H new ATOM 0 HD3 ARG A 21 -16.667 6.266 -2.397 1.00 5.89 H new ATOM 0 HE ARG A 21 -17.531 3.785 -3.863 1.00 6.25 H new ATOM 0 HH11 ARG A 21 -17.960 4.732 -0.811 1.00 7.43 H new ATOM 0 HH12 ARG A 21 -16.889 3.577 -0.010 1.00 7.43 H new ATOM 0 HH21 ARG A 21 -15.255 2.641 -2.996 1.00 7.30 H new ATOM 0 HH22 ARG A 21 -15.356 2.392 -1.250 1.00 7.30 H new ATOM 353 N SER A 22 -21.183 6.491 -7.891 1.00 1.32 N ATOM 354 CA SER A 22 -21.561 6.071 -9.248 1.00 0.74 C ATOM 355 C SER A 22 -20.390 6.244 -10.219 1.00 0.68 C ATOM 356 O SER A 22 -19.748 7.299 -10.256 1.00 1.69 O ATOM 357 CB SER A 22 -22.766 6.875 -9.735 1.00 1.62 C ATOM 358 OG SER A 22 -23.849 6.771 -8.818 1.00 1.86 O ATOM 0 H SER A 22 -21.811 7.181 -7.480 1.00 1.32 H new ATOM 0 HA SER A 22 -21.828 5.015 -9.214 1.00 0.74 H new ATOM 0 HB2 SER A 22 -22.486 7.921 -9.856 1.00 1.62 H new ATOM 0 HB3 SER A 22 -23.078 6.513 -10.715 1.00 1.62 H new ATOM 0 HG SER A 22 -24.609 7.294 -9.148 1.00 1.86 H new ATOM 364 N TRP A 23 -20.116 5.182 -10.972 1.00 0.69 N ATOM 365 CA TRP A 23 -19.014 5.126 -11.943 1.00 0.41 C ATOM 366 C TRP A 23 -17.667 5.177 -11.216 1.00 0.40 C ATOM 367 O TRP A 23 -16.947 6.176 -11.273 1.00 0.55 O ATOM 368 CB TRP A 23 -19.131 6.237 -13.018 1.00 0.43 C ATOM 369 CG TRP A 23 -20.078 5.857 -14.122 1.00 0.40 C ATOM 370 CD1 TRP A 23 -21.188 6.537 -14.539 1.00 0.45 C ATOM 371 CD2 TRP A 23 -19.996 4.676 -14.940 1.00 0.34 C ATOM 372 NE1 TRP A 23 -21.776 5.833 -15.556 1.00 0.42 N ATOM 373 CE2 TRP A 23 -21.080 4.693 -15.821 1.00 0.36 C ATOM 374 CE3 TRP A 23 -19.105 3.605 -14.994 1.00 0.30 C ATOM 375 CZ2 TRP A 23 -21.290 3.675 -16.743 1.00 0.35 C ATOM 376 CZ3 TRP A 23 -19.303 2.590 -15.905 1.00 0.29 C ATOM 377 CH2 TRP A 23 -20.389 2.618 -16.775 1.00 0.31 C ATOM 0 H TRP A 23 -20.659 4.320 -10.928 1.00 0.69 H new ATOM 0 HA TRP A 23 -19.079 4.177 -12.475 1.00 0.41 H new ATOM 0 HB2 TRP A 23 -19.473 7.160 -12.549 1.00 0.43 H new ATOM 0 HB3 TRP A 23 -18.146 6.439 -13.439 1.00 0.43 H new ATOM 0 HD1 TRP A 23 -21.542 7.473 -14.134 1.00 0.45 H new ATOM 0 HE1 TRP A 23 -22.621 6.123 -16.048 1.00 0.42 H new ATOM 0 HE3 TRP A 23 -18.260 3.571 -14.322 1.00 0.30 H new ATOM 0 HZ2 TRP A 23 -22.133 3.705 -17.418 1.00 0.35 H new ATOM 0 HZ3 TRP A 23 -18.608 1.764 -15.944 1.00 0.29 H new ATOM 0 HH2 TRP A 23 -20.532 1.812 -17.480 1.00 0.31 H new ATOM 388 N HIS A 24 -17.349 4.078 -10.526 1.00 0.37 N ATOM 389 CA HIS A 24 -16.098 3.940 -9.766 1.00 0.45 C ATOM 390 C HIS A 24 -15.195 2.898 -10.427 1.00 0.36 C ATOM 391 O HIS A 24 -15.644 1.798 -10.766 1.00 0.34 O ATOM 392 CB HIS A 24 -16.373 3.540 -8.292 1.00 0.61 C ATOM 393 CG HIS A 24 -17.361 2.413 -8.104 1.00 1.18 C ATOM 394 ND1 HIS A 24 -18.704 2.613 -7.903 1.00 2.08 N ATOM 395 CD2 HIS A 24 -17.203 1.065 -8.068 1.00 1.66 C ATOM 396 CE1 HIS A 24 -19.336 1.475 -7.756 1.00 2.98 C ATOM 397 NE2 HIS A 24 -18.448 0.496 -7.852 1.00 2.74 N ATOM 0 H HIS A 24 -17.951 3.256 -10.477 1.00 0.37 H new ATOM 0 HA HIS A 24 -15.597 4.908 -9.767 1.00 0.45 H new ATOM 0 HB2 HIS A 24 -15.429 3.255 -7.828 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -16.740 4.416 -7.757 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -19.152 3.529 -7.872 1.00 2.08 H new ATOM 0 HD2 HIS A 24 -16.272 0.531 -8.187 1.00 1.66 H new ATOM 0 HE1 HIS A 24 -20.396 1.355 -7.586 1.00 2.98 H new ATOM 405 N ASN A 25 -13.920 3.247 -10.593 1.00 0.37 N ATOM 406 CA ASN A 25 -12.931 2.348 -11.192 1.00 0.35 C ATOM 407 C ASN A 25 -12.520 1.305 -10.148 1.00 0.34 C ATOM 408 O ASN A 25 -11.869 1.635 -9.149 1.00 0.55 O ATOM 409 CB ASN A 25 -11.714 3.160 -11.677 1.00 0.44 C ATOM 410 CG ASN A 25 -10.740 2.293 -12.482 1.00 0.99 C ATOM 411 OD1 ASN A 25 -9.946 1.547 -11.912 1.00 1.71 O ATOM 412 ND2 ASN A 25 -10.784 2.402 -13.803 1.00 1.49 N ATOM 0 H ASN A 25 -13.544 4.155 -10.319 1.00 0.37 H new ATOM 0 HA ASN A 25 -13.357 1.836 -12.055 1.00 0.35 H new ATOM 0 HB2 ASN A 25 -12.054 3.993 -12.292 1.00 0.44 H new ATOM 0 HB3 ASN A 25 -11.196 3.588 -10.819 1.00 0.44 H new ATOM 0 HD21 ASN A 25 -10.145 1.856 -14.381 1.00 1.49 H new ATOM 0 HD22 ASN A 25 -11.457 3.032 -14.241 1.00 1.49 H new ATOM 419 N VAL A 26 -12.932 0.061 -10.375 1.00 0.22 N ATOM 420 CA VAL A 26 -12.649 -1.047 -9.464 1.00 0.21 C ATOM 421 C VAL A 26 -11.926 -2.172 -10.207 1.00 0.18 C ATOM 422 O VAL A 26 -11.981 -2.264 -11.438 1.00 0.23 O ATOM 423 CB VAL A 26 -13.973 -1.535 -8.840 1.00 0.25 C ATOM 424 CG1 VAL A 26 -14.769 -2.431 -9.799 1.00 0.31 C ATOM 425 CG2 VAL A 26 -13.730 -2.246 -7.509 1.00 0.31 C ATOM 0 H VAL A 26 -13.472 -0.209 -11.197 1.00 0.22 H new ATOM 0 HA VAL A 26 -11.990 -0.713 -8.663 1.00 0.21 H new ATOM 0 HB VAL A 26 -14.577 -0.648 -8.648 1.00 0.25 H new ATOM 0 HG11 VAL A 26 -15.693 -2.750 -9.316 1.00 0.31 H new ATOM 0 HG12 VAL A 26 -15.007 -1.873 -10.705 1.00 0.31 H new ATOM 0 HG13 VAL A 26 -14.173 -3.307 -10.058 1.00 0.31 H new ATOM 0 HG21 VAL A 26 -14.682 -2.578 -7.095 1.00 0.31 H new ATOM 0 HG22 VAL A 26 -13.084 -3.109 -7.670 1.00 0.31 H new ATOM 0 HG23 VAL A 26 -13.251 -1.559 -6.812 1.00 0.31 H new ATOM 435 N TYR A 27 -11.249 -3.027 -9.453 1.00 0.16 N ATOM 436 CA TYR A 27 -10.500 -4.155 -10.011 1.00 0.16 C ATOM 437 C TYR A 27 -11.332 -5.433 -9.891 1.00 0.19 C ATOM 438 O TYR A 27 -11.788 -5.785 -8.800 1.00 0.34 O ATOM 439 CB TYR A 27 -9.176 -4.294 -9.251 1.00 0.17 C ATOM 440 CG TYR A 27 -8.106 -5.044 -10.014 1.00 0.18 C ATOM 441 CD1 TYR A 27 -7.248 -4.362 -10.857 1.00 0.28 C ATOM 442 CD2 TYR A 27 -7.989 -6.417 -9.883 1.00 0.26 C ATOM 443 CE1 TYR A 27 -6.279 -5.051 -11.567 1.00 0.33 C ATOM 444 CE2 TYR A 27 -7.021 -7.105 -10.590 1.00 0.30 C ATOM 445 CZ TYR A 27 -6.133 -6.408 -11.387 1.00 0.29 C ATOM 446 OH TYR A 27 -5.208 -7.098 -12.140 1.00 0.37 O ATOM 0 H TYR A 27 -11.201 -2.962 -8.436 1.00 0.16 H new ATOM 0 HA TYR A 27 -10.288 -3.983 -11.066 1.00 0.16 H new ATOM 0 HB2 TYR A 27 -8.803 -3.300 -9.005 1.00 0.17 H new ATOM 0 HB3 TYR A 27 -9.362 -4.807 -8.307 1.00 0.17 H new ATOM 0 HD1 TYR A 27 -7.334 -3.291 -10.962 1.00 0.28 H new ATOM 0 HD2 TYR A 27 -8.657 -6.953 -9.225 1.00 0.26 H new ATOM 0 HE1 TYR A 27 -5.639 -4.525 -12.260 1.00 0.33 H new ATOM 0 HE2 TYR A 27 -6.959 -8.181 -10.520 1.00 0.30 H new ATOM 0 HH TYR A 27 -5.227 -8.046 -11.893 1.00 0.37 H new ATOM 456 N CYS A 28 -11.536 -6.117 -11.012 1.00 0.16 N ATOM 457 CA CYS A 28 -12.323 -7.355 -11.048 1.00 0.19 C ATOM 458 C CYS A 28 -11.427 -8.542 -11.410 1.00 0.19 C ATOM 459 O CYS A 28 -10.579 -8.440 -12.302 1.00 0.23 O ATOM 460 CB CYS A 28 -13.459 -7.218 -12.065 1.00 0.23 C ATOM 461 SG CYS A 28 -14.475 -5.758 -11.770 1.00 0.34 S ATOM 0 H CYS A 28 -11.165 -5.835 -11.919 1.00 0.16 H new ATOM 0 HA CYS A 28 -12.751 -7.533 -10.061 1.00 0.19 H new ATOM 0 HB2 CYS A 28 -13.039 -7.168 -13.070 1.00 0.23 H new ATOM 0 HB3 CYS A 28 -14.087 -8.108 -12.026 1.00 0.23 H new ATOM 0 HG CYS A 28 -15.355 -6.020 -10.850 1.00 0.34 H new ATOM 467 N VAL A 29 -11.617 -9.659 -10.710 1.00 0.21 N ATOM 468 CA VAL A 29 -10.832 -10.877 -10.939 1.00 0.24 C ATOM 469 C VAL A 29 -11.761 -12.082 -11.055 1.00 0.26 C ATOM 470 O VAL A 29 -12.421 -12.456 -10.085 1.00 0.38 O ATOM 471 CB VAL A 29 -9.850 -11.089 -9.778 1.00 0.29 C ATOM 472 CG1 VAL A 29 -9.134 -12.438 -9.889 1.00 0.37 C ATOM 473 CG2 VAL A 29 -8.832 -9.957 -9.720 1.00 0.33 C ATOM 0 H VAL A 29 -12.315 -9.748 -9.971 1.00 0.21 H new ATOM 0 HA VAL A 29 -10.272 -10.769 -11.868 1.00 0.24 H new ATOM 0 HB VAL A 29 -10.429 -11.089 -8.855 1.00 0.29 H new ATOM 0 HG11 VAL A 29 -8.447 -12.555 -9.051 1.00 0.37 H new ATOM 0 HG12 VAL A 29 -9.869 -13.243 -9.870 1.00 0.37 H new ATOM 0 HG13 VAL A 29 -8.576 -12.478 -10.824 1.00 0.37 H new ATOM 0 HG21 VAL A 29 -8.146 -10.127 -8.890 1.00 0.33 H new ATOM 0 HG22 VAL A 29 -8.271 -9.924 -10.654 1.00 0.33 H new ATOM 0 HG23 VAL A 29 -9.350 -9.009 -9.574 1.00 0.33 H new ATOM 483 N ILE A 30 -11.789 -12.696 -12.239 1.00 0.28 N ATOM 484 CA ILE A 30 -12.615 -13.882 -12.497 1.00 0.32 C ATOM 485 C ILE A 30 -11.731 -15.132 -12.443 1.00 0.35 C ATOM 486 O ILE A 30 -10.640 -15.148 -13.015 1.00 0.44 O ATOM 487 CB ILE A 30 -13.292 -13.774 -13.872 1.00 0.40 C ATOM 488 CG1 ILE A 30 -14.099 -12.473 -13.974 1.00 0.47 C ATOM 489 CG2 ILE A 30 -14.192 -14.986 -14.134 1.00 0.50 C ATOM 490 CD1 ILE A 30 -14.760 -12.337 -15.344 1.00 0.57 C ATOM 0 H ILE A 30 -11.243 -12.389 -13.044 1.00 0.28 H new ATOM 0 HA ILE A 30 -13.393 -13.951 -11.736 1.00 0.32 H new ATOM 0 HB ILE A 30 -12.513 -13.758 -14.634 1.00 0.40 H new ATOM 0 HG12 ILE A 30 -14.862 -12.454 -13.196 1.00 0.47 H new ATOM 0 HG13 ILE A 30 -13.443 -11.621 -13.798 1.00 0.47 H new ATOM 0 HG21 ILE A 30 -14.660 -14.887 -15.113 1.00 0.50 H new ATOM 0 HG22 ILE A 30 -13.593 -15.896 -14.109 1.00 0.50 H new ATOM 0 HG23 ILE A 30 -14.964 -15.039 -13.366 1.00 0.50 H new ATOM 0 HD11 ILE A 30 -15.324 -11.405 -15.385 1.00 0.57 H new ATOM 0 HD12 ILE A 30 -13.993 -12.331 -16.119 1.00 0.57 H new ATOM 0 HD13 ILE A 30 -15.435 -13.177 -15.507 1.00 0.57 H new ATOM 502 N ASN A 31 -12.201 -16.172 -11.754 1.00 0.46 N ATOM 503 CA ASN A 31 -11.445 -17.423 -11.626 1.00 0.58 C ATOM 504 C ASN A 31 -12.388 -18.629 -11.705 1.00 0.71 C ATOM 505 O ASN A 31 -12.609 -19.328 -10.716 1.00 1.20 O ATOM 506 CB ASN A 31 -10.644 -17.423 -10.305 1.00 0.73 C ATOM 507 CG ASN A 31 -9.337 -18.203 -10.473 1.00 0.93 C ATOM 508 OD1 ASN A 31 -8.435 -17.761 -11.184 1.00 1.27 O ATOM 509 ND2 ASN A 31 -9.223 -19.355 -9.829 1.00 1.47 N ATOM 0 H ASN A 31 -13.102 -16.175 -11.275 1.00 0.46 H new ATOM 0 HA ASN A 31 -10.739 -17.499 -12.453 1.00 0.58 H new ATOM 0 HB2 ASN A 31 -10.427 -16.398 -10.004 1.00 0.73 H new ATOM 0 HB3 ASN A 31 -11.242 -17.869 -9.510 1.00 0.73 H new ATOM 0 HD21 ASN A 31 -8.368 -19.905 -9.914 1.00 1.47 H new ATOM 0 HD22 ASN A 31 -9.990 -19.692 -9.248 1.00 1.47 H new ATOM 516 N ASN A 32 -12.921 -18.867 -12.908 1.00 0.85 N ATOM 517 CA ASN A 32 -13.832 -19.992 -13.198 1.00 1.00 C ATOM 518 C ASN A 32 -15.111 -19.951 -12.342 1.00 1.00 C ATOM 519 O ASN A 32 -15.104 -20.363 -11.181 1.00 1.97 O ATOM 520 CB ASN A 32 -13.093 -21.335 -13.014 1.00 1.24 C ATOM 521 CG ASN A 32 -13.965 -22.525 -13.444 1.00 1.73 C ATOM 522 OD1 ASN A 32 -14.173 -23.463 -12.670 1.00 2.06 O ATOM 523 ND2 ASN A 32 -14.474 -22.494 -14.670 1.00 2.52 N ATOM 0 H ASN A 32 -12.733 -18.280 -13.721 1.00 0.85 H new ATOM 0 HA ASN A 32 -14.148 -19.895 -14.237 1.00 1.00 H new ATOM 0 HB2 ASN A 32 -12.173 -21.328 -13.599 1.00 1.24 H new ATOM 0 HB3 ASN A 32 -12.806 -21.453 -11.969 1.00 1.24 H new ATOM 0 HD21 ASN A 32 -15.058 -23.262 -14.999 1.00 2.52 H new ATOM 0 HD22 ASN A 32 -14.281 -21.702 -15.283 1.00 2.52 H new ATOM 530 N GLN A 33 -16.209 -19.487 -12.952 1.00 0.75 N ATOM 531 CA GLN A 33 -17.547 -19.407 -12.316 1.00 0.67 C ATOM 532 C GLN A 33 -17.635 -18.397 -11.158 1.00 0.56 C ATOM 533 O GLN A 33 -18.743 -17.912 -10.853 1.00 0.71 O ATOM 534 CB GLN A 33 -18.003 -20.795 -11.834 1.00 0.83 C ATOM 535 CG GLN A 33 -18.033 -21.808 -12.982 1.00 1.46 C ATOM 536 CD GLN A 33 -18.408 -23.191 -12.457 1.00 1.85 C ATOM 537 OE1 GLN A 33 -17.536 -24.018 -12.193 1.00 2.11 O ATOM 538 NE2 GLN A 33 -19.696 -23.448 -12.304 1.00 2.67 N ATOM 0 H GLN A 33 -16.202 -19.150 -13.915 1.00 0.75 H new ATOM 0 HA GLN A 33 -18.217 -19.041 -13.094 1.00 0.67 H new ATOM 0 HB2 GLN A 33 -17.330 -21.149 -11.053 1.00 0.83 H new ATOM 0 HB3 GLN A 33 -18.995 -20.719 -11.389 1.00 0.83 H new ATOM 0 HG2 GLN A 33 -18.752 -21.491 -13.737 1.00 1.46 H new ATOM 0 HG3 GLN A 33 -17.058 -21.848 -13.467 1.00 1.46 H new ATOM 0 HE21 GLN A 33 -20.389 -22.736 -12.534 1.00 2.67 H new ATOM 0 HE22 GLN A 33 -19.997 -24.358 -11.956 1.00 2.67 H new ATOM 547 N GLU A 34 -16.497 -18.099 -10.503 1.00 0.53 N ATOM 548 CA GLU A 34 -16.467 -17.168 -9.372 1.00 0.49 C ATOM 549 C GLU A 34 -15.615 -15.943 -9.703 1.00 0.45 C ATOM 550 O GLU A 34 -14.627 -16.037 -10.440 1.00 0.64 O ATOM 551 CB GLU A 34 -15.907 -17.886 -8.133 1.00 0.61 C ATOM 552 CG GLU A 34 -16.825 -17.713 -6.921 1.00 1.25 C ATOM 553 CD GLU A 34 -18.026 -18.648 -7.000 1.00 1.42 C ATOM 554 OE1 GLU A 34 -17.864 -19.808 -7.421 1.00 1.89 O ATOM 555 OE2 GLU A 34 -19.135 -18.231 -6.623 1.00 1.79 O ATOM 0 H GLU A 34 -15.587 -18.493 -10.743 1.00 0.53 H new ATOM 0 HA GLU A 34 -17.482 -16.829 -9.166 1.00 0.49 H new ATOM 0 HB2 GLU A 34 -15.786 -18.947 -8.350 1.00 0.61 H new ATOM 0 HB3 GLU A 34 -14.917 -17.493 -7.900 1.00 0.61 H new ATOM 0 HG2 GLU A 34 -16.266 -17.912 -6.007 1.00 1.25 H new ATOM 0 HG3 GLU A 34 -17.168 -16.680 -6.866 1.00 1.25 H new ATOM 562 N MET A 35 -15.994 -14.799 -9.138 1.00 0.36 N ATOM 563 CA MET A 35 -15.269 -13.546 -9.341 1.00 0.35 C ATOM 564 C MET A 35 -15.297 -12.717 -8.058 1.00 0.32 C ATOM 565 O MET A 35 -16.265 -12.771 -7.292 1.00 0.42 O ATOM 566 CB MET A 35 -15.861 -12.750 -10.518 1.00 0.41 C ATOM 567 CG MET A 35 -17.299 -12.285 -10.259 1.00 0.43 C ATOM 568 SD MET A 35 -17.964 -11.329 -11.636 1.00 0.60 S ATOM 569 CE MET A 35 -17.791 -9.645 -11.019 1.00 1.25 C ATOM 0 H MET A 35 -16.808 -14.714 -8.529 1.00 0.36 H new ATOM 0 HA MET A 35 -14.233 -13.779 -9.588 1.00 0.35 H new ATOM 0 HB2 MET A 35 -15.233 -11.881 -10.715 1.00 0.41 H new ATOM 0 HB3 MET A 35 -15.840 -13.368 -11.415 1.00 0.41 H new ATOM 0 HG2 MET A 35 -17.934 -13.153 -10.082 1.00 0.43 H new ATOM 0 HG3 MET A 35 -17.326 -11.680 -9.353 1.00 0.43 H new ATOM 0 HE1 MET A 35 -18.588 -9.024 -11.428 1.00 1.25 H new ATOM 0 HE2 MET A 35 -17.855 -9.648 -9.931 1.00 1.25 H new ATOM 0 HE3 MET A 35 -16.825 -9.243 -11.324 1.00 1.25 H new ATOM 579 N GLY A 36 -14.227 -11.957 -7.828 1.00 0.27 N ATOM 580 CA GLY A 36 -14.104 -11.114 -6.639 1.00 0.29 C ATOM 581 C GLY A 36 -13.812 -9.662 -7.022 1.00 0.25 C ATOM 582 O GLY A 36 -13.115 -9.397 -8.011 1.00 0.28 O ATOM 0 H GLY A 36 -13.425 -11.908 -8.457 1.00 0.27 H new ATOM 0 HA2 GLY A 36 -15.025 -11.162 -6.058 1.00 0.29 H new ATOM 0 HA3 GLY A 36 -13.305 -11.493 -6.002 1.00 0.29 H new ATOM 586 N PHE A 37 -14.343 -8.730 -6.224 1.00 0.24 N ATOM 587 CA PHE A 37 -14.153 -7.287 -6.440 1.00 0.25 C ATOM 588 C PHE A 37 -13.051 -6.765 -5.515 1.00 0.25 C ATOM 589 O PHE A 37 -13.139 -6.902 -4.292 1.00 0.40 O ATOM 590 CB PHE A 37 -15.460 -6.531 -6.155 1.00 0.30 C ATOM 591 CG PHE A 37 -16.486 -6.668 -7.259 1.00 0.28 C ATOM 592 CD1 PHE A 37 -16.305 -5.999 -8.461 1.00 0.39 C ATOM 593 CD2 PHE A 37 -17.616 -7.449 -7.068 1.00 0.43 C ATOM 594 CE1 PHE A 37 -17.248 -6.116 -9.469 1.00 0.41 C ATOM 595 CE2 PHE A 37 -18.556 -7.566 -8.078 1.00 0.45 C ATOM 596 CZ PHE A 37 -18.375 -6.896 -9.276 1.00 0.33 C ATOM 0 H PHE A 37 -14.917 -8.952 -5.410 1.00 0.24 H new ATOM 0 HA PHE A 37 -13.865 -7.123 -7.478 1.00 0.25 H new ATOM 0 HB2 PHE A 37 -15.889 -6.900 -5.223 1.00 0.30 H new ATOM 0 HB3 PHE A 37 -15.235 -5.475 -6.007 1.00 0.30 H new ATOM 0 HD1 PHE A 37 -15.428 -5.387 -8.611 1.00 0.39 H new ATOM 0 HD2 PHE A 37 -17.763 -7.966 -6.131 1.00 0.43 H new ATOM 0 HE1 PHE A 37 -17.104 -5.598 -10.406 1.00 0.41 H new ATOM 0 HE2 PHE A 37 -19.432 -8.181 -7.931 1.00 0.45 H new ATOM 0 HZ PHE A 37 -19.113 -6.982 -10.060 1.00 0.33 H new ATOM 606 N TYR A 38 -12.016 -6.171 -6.102 1.00 0.20 N ATOM 607 CA TYR A 38 -10.885 -5.630 -5.339 1.00 0.21 C ATOM 608 C TYR A 38 -10.594 -4.181 -5.751 1.00 0.21 C ATOM 609 O TYR A 38 -11.194 -3.651 -6.687 1.00 0.23 O ATOM 610 CB TYR A 38 -9.639 -6.496 -5.571 1.00 0.23 C ATOM 611 CG TYR A 38 -9.852 -7.958 -5.241 1.00 0.27 C ATOM 612 CD1 TYR A 38 -9.684 -8.411 -3.943 1.00 0.42 C ATOM 613 CD2 TYR A 38 -10.212 -8.849 -6.238 1.00 0.27 C ATOM 614 CE1 TYR A 38 -9.873 -9.750 -3.644 1.00 0.50 C ATOM 615 CE2 TYR A 38 -10.400 -10.186 -5.938 1.00 0.35 C ATOM 616 CZ TYR A 38 -10.231 -10.629 -4.642 1.00 0.44 C ATOM 617 OH TYR A 38 -10.417 -11.958 -4.346 1.00 0.55 O ATOM 0 H TYR A 38 -11.933 -6.049 -7.111 1.00 0.20 H new ATOM 0 HA TYR A 38 -11.145 -5.643 -4.281 1.00 0.21 H new ATOM 0 HB2 TYR A 38 -9.333 -6.407 -6.613 1.00 0.23 H new ATOM 0 HB3 TYR A 38 -8.820 -6.110 -4.965 1.00 0.23 H new ATOM 0 HD1 TYR A 38 -9.405 -7.719 -3.162 1.00 0.42 H new ATOM 0 HD2 TYR A 38 -10.346 -8.499 -7.251 1.00 0.27 H new ATOM 0 HE1 TYR A 38 -9.740 -10.104 -2.632 1.00 0.50 H new ATOM 0 HE2 TYR A 38 -10.678 -10.881 -6.716 1.00 0.35 H new ATOM 0 HH TYR A 38 -10.667 -12.443 -5.160 1.00 0.55 H new ATOM 627 N LYS A 39 -9.664 -3.548 -5.039 1.00 0.25 N ATOM 628 CA LYS A 39 -9.275 -2.156 -5.306 1.00 0.29 C ATOM 629 C LYS A 39 -8.287 -2.063 -6.477 1.00 0.28 C ATOM 630 O LYS A 39 -8.359 -1.138 -7.286 1.00 0.33 O ATOM 631 CB LYS A 39 -8.641 -1.553 -4.047 1.00 0.36 C ATOM 632 CG LYS A 39 -8.750 -0.026 -4.040 1.00 0.70 C ATOM 633 CD LYS A 39 -8.359 0.562 -2.682 1.00 1.15 C ATOM 634 CE LYS A 39 -6.953 0.124 -2.254 1.00 1.82 C ATOM 635 NZ LYS A 39 -5.908 0.551 -3.236 1.00 2.51 N ATOM 0 H LYS A 39 -9.159 -3.978 -4.264 1.00 0.25 H new ATOM 0 HA LYS A 39 -10.171 -1.598 -5.577 1.00 0.29 H new ATOM 0 HB2 LYS A 39 -9.132 -1.958 -3.162 1.00 0.36 H new ATOM 0 HB3 LYS A 39 -7.592 -1.844 -3.991 1.00 0.36 H new ATOM 0 HG2 LYS A 39 -8.106 0.389 -4.815 1.00 0.70 H new ATOM 0 HG3 LYS A 39 -9.771 0.267 -4.283 1.00 0.70 H new ATOM 0 HD2 LYS A 39 -8.401 1.650 -2.732 1.00 1.15 H new ATOM 0 HD3 LYS A 39 -9.082 0.249 -1.929 1.00 1.15 H new ATOM 0 HE2 LYS A 39 -6.724 0.546 -1.275 1.00 1.82 H new ATOM 0 HE3 LYS A 39 -6.928 -0.960 -2.147 1.00 1.82 H new ATOM 0 HZ1 LYS A 39 -5.013 0.728 -2.736 1.00 2.51 H new ATOM 0 HZ2 LYS A 39 -5.768 -0.200 -3.942 1.00 2.51 H new ATOM 0 HZ3 LYS A 39 -6.216 1.422 -3.714 1.00 2.51 H new ATOM 649 N ASP A 40 -7.355 -3.013 -6.541 1.00 0.28 N ATOM 650 CA ASP A 40 -6.322 -3.051 -7.586 1.00 0.32 C ATOM 651 C ASP A 40 -5.683 -4.444 -7.637 1.00 0.33 C ATOM 652 O ASP A 40 -6.141 -5.370 -6.957 1.00 0.32 O ATOM 653 CB ASP A 40 -5.249 -1.967 -7.331 1.00 0.38 C ATOM 654 CG ASP A 40 -4.789 -1.946 -5.868 1.00 0.57 C ATOM 655 OD1 ASP A 40 -4.360 -3.001 -5.355 1.00 0.94 O ATOM 656 OD2 ASP A 40 -4.835 -0.874 -5.235 1.00 0.84 O ATOM 0 H ASP A 40 -7.291 -3.780 -5.872 1.00 0.28 H new ATOM 0 HA ASP A 40 -6.788 -2.843 -8.549 1.00 0.32 H new ATOM 0 HB2 ASP A 40 -4.391 -2.147 -7.978 1.00 0.38 H new ATOM 0 HB3 ASP A 40 -5.650 -0.990 -7.599 1.00 0.38 H new ATOM 661 N ALA A 41 -4.623 -4.590 -8.440 1.00 0.40 N ATOM 662 CA ALA A 41 -3.912 -5.872 -8.584 1.00 0.45 C ATOM 663 C ALA A 41 -3.270 -6.305 -7.259 1.00 0.45 C ATOM 664 O ALA A 41 -3.258 -7.491 -6.925 1.00 0.47 O ATOM 665 CB ALA A 41 -2.841 -5.756 -9.668 1.00 0.55 C ATOM 0 H ALA A 41 -4.235 -3.834 -9.004 1.00 0.40 H new ATOM 0 HA ALA A 41 -4.639 -6.631 -8.872 1.00 0.45 H new ATOM 0 HB1 ALA A 41 -2.320 -6.708 -9.768 1.00 0.55 H new ATOM 0 HB2 ALA A 41 -3.311 -5.498 -10.617 1.00 0.55 H new ATOM 0 HB3 ALA A 41 -2.128 -4.979 -9.393 1.00 0.55 H new ATOM 671 N LYS A 42 -2.757 -5.331 -6.499 1.00 0.46 N ATOM 672 CA LYS A 42 -2.129 -5.595 -5.197 1.00 0.48 C ATOM 673 C LYS A 42 -3.184 -6.065 -4.194 1.00 0.43 C ATOM 674 O LYS A 42 -2.971 -7.028 -3.450 1.00 0.47 O ATOM 675 CB LYS A 42 -1.429 -4.330 -4.684 1.00 0.54 C ATOM 676 CG LYS A 42 -0.382 -3.821 -5.684 1.00 0.77 C ATOM 677 CD LYS A 42 0.979 -3.619 -5.021 1.00 1.12 C ATOM 678 CE LYS A 42 1.679 -4.955 -4.749 1.00 1.96 C ATOM 679 NZ LYS A 42 2.026 -5.663 -6.012 1.00 2.76 N ATOM 0 H LYS A 42 -2.764 -4.346 -6.765 1.00 0.46 H new ATOM 0 HA LYS A 42 -1.383 -6.381 -5.314 1.00 0.48 H new ATOM 0 HB2 LYS A 42 -2.170 -3.551 -4.503 1.00 0.54 H new ATOM 0 HB3 LYS A 42 -0.949 -4.541 -3.729 1.00 0.54 H new ATOM 0 HG2 LYS A 42 -0.286 -4.533 -6.504 1.00 0.77 H new ATOM 0 HG3 LYS A 42 -0.720 -2.879 -6.117 1.00 0.77 H new ATOM 0 HD2 LYS A 42 1.608 -3.002 -5.662 1.00 1.12 H new ATOM 0 HD3 LYS A 42 0.851 -3.078 -4.084 1.00 1.12 H new ATOM 0 HE2 LYS A 42 2.585 -4.779 -4.170 1.00 1.96 H new ATOM 0 HE3 LYS A 42 1.031 -5.588 -4.143 1.00 1.96 H new ATOM 0 HZ1 LYS A 42 2.760 -6.375 -5.821 1.00 2.76 H new ATOM 0 HZ2 LYS A 42 1.179 -6.132 -6.391 1.00 2.76 H new ATOM 0 HZ3 LYS A 42 2.382 -4.977 -6.708 1.00 2.76 H new ATOM 693 N SER A 43 -4.335 -5.390 -4.197 1.00 0.38 N ATOM 694 CA SER A 43 -5.452 -5.729 -3.313 1.00 0.38 C ATOM 695 C SER A 43 -6.006 -7.122 -3.638 1.00 0.39 C ATOM 696 O SER A 43 -6.407 -7.861 -2.741 1.00 0.45 O ATOM 697 CB SER A 43 -6.551 -4.678 -3.459 1.00 0.37 C ATOM 698 OG SER A 43 -6.023 -3.373 -3.259 1.00 1.04 O ATOM 0 H SER A 43 -4.519 -4.596 -4.810 1.00 0.38 H new ATOM 0 HA SER A 43 -5.093 -5.742 -2.284 1.00 0.38 H new ATOM 0 HB2 SER A 43 -6.999 -4.747 -4.450 1.00 0.37 H new ATOM 0 HB3 SER A 43 -7.344 -4.870 -2.737 1.00 0.37 H new ATOM 0 HG SER A 43 -5.298 -3.212 -3.898 1.00 1.04 H new ATOM 704 N ALA A 44 -6.011 -7.476 -4.926 1.00 0.37 N ATOM 705 CA ALA A 44 -6.497 -8.784 -5.382 1.00 0.43 C ATOM 706 C ALA A 44 -5.519 -9.895 -4.988 1.00 0.51 C ATOM 707 O ALA A 44 -5.933 -11.008 -4.665 1.00 0.59 O ATOM 708 CB ALA A 44 -6.684 -8.775 -6.902 1.00 0.43 C ATOM 0 H ALA A 44 -5.681 -6.871 -5.678 1.00 0.37 H new ATOM 0 HA ALA A 44 -7.456 -8.978 -4.902 1.00 0.43 H new ATOM 0 HB1 ALA A 44 -7.045 -9.750 -7.230 1.00 0.43 H new ATOM 0 HB2 ALA A 44 -7.410 -8.009 -7.175 1.00 0.43 H new ATOM 0 HB3 ALA A 44 -5.731 -8.560 -7.385 1.00 0.43 H new ATOM 714 N ALA A 45 -4.222 -9.581 -5.021 1.00 0.54 N ATOM 715 CA ALA A 45 -3.171 -10.543 -4.673 1.00 0.64 C ATOM 716 C ALA A 45 -3.100 -10.760 -3.156 1.00 0.68 C ATOM 717 O ALA A 45 -3.097 -11.897 -2.686 1.00 0.76 O ATOM 718 CB ALA A 45 -1.822 -10.045 -5.195 1.00 0.69 C ATOM 0 H ALA A 45 -3.871 -8.661 -5.287 1.00 0.54 H new ATOM 0 HA ALA A 45 -3.412 -11.498 -5.140 1.00 0.64 H new ATOM 0 HB1 ALA A 45 -1.044 -10.762 -4.934 1.00 0.69 H new ATOM 0 HB2 ALA A 45 -1.868 -9.938 -6.279 1.00 0.69 H new ATOM 0 HB3 ALA A 45 -1.591 -9.080 -4.744 1.00 0.69 H new ATOM 724 N SER A 46 -3.034 -9.661 -2.398 1.00 0.65 N ATOM 725 CA SER A 46 -2.950 -9.722 -0.928 1.00 0.73 C ATOM 726 C SER A 46 -4.282 -10.152 -0.294 1.00 0.74 C ATOM 727 O SER A 46 -4.296 -10.721 0.802 1.00 0.84 O ATOM 728 CB SER A 46 -2.512 -8.364 -0.377 1.00 0.75 C ATOM 729 OG SER A 46 -1.304 -7.941 -1.005 1.00 1.21 O ATOM 0 H SER A 46 -3.037 -8.714 -2.776 1.00 0.65 H new ATOM 0 HA SER A 46 -2.209 -10.477 -0.667 1.00 0.73 H new ATOM 0 HB2 SER A 46 -3.296 -7.625 -0.546 1.00 0.75 H new ATOM 0 HB3 SER A 46 -2.365 -8.432 0.701 1.00 0.75 H new ATOM 0 HG SER A 46 -1.508 -7.567 -1.888 1.00 1.21 H new ATOM 735 N GLY A 47 -5.393 -9.893 -0.986 1.00 0.70 N ATOM 736 CA GLY A 47 -6.723 -10.268 -0.498 1.00 0.74 C ATOM 737 C GLY A 47 -7.351 -9.158 0.343 1.00 0.75 C ATOM 738 O GLY A 47 -7.751 -9.385 1.485 1.00 0.88 O ATOM 0 H GLY A 47 -5.398 -9.423 -1.891 1.00 0.70 H new ATOM 0 HA2 GLY A 47 -7.371 -10.493 -1.345 1.00 0.74 H new ATOM 0 HA3 GLY A 47 -6.649 -11.178 0.098 1.00 0.74 H new ATOM 742 N ILE A 48 -7.461 -7.969 -0.242 1.00 0.67 N ATOM 743 CA ILE A 48 -8.072 -6.813 0.418 1.00 0.72 C ATOM 744 C ILE A 48 -9.440 -6.587 -0.237 1.00 0.75 C ATOM 745 O ILE A 48 -9.512 -6.152 -1.389 1.00 0.75 O ATOM 746 CB ILE A 48 -7.180 -5.564 0.274 1.00 0.71 C ATOM 747 CG1 ILE A 48 -5.694 -5.897 0.490 1.00 0.78 C ATOM 748 CG2 ILE A 48 -7.615 -4.474 1.250 1.00 0.82 C ATOM 749 CD1 ILE A 48 -5.450 -6.517 1.858 1.00 0.97 C ATOM 0 H ILE A 48 -7.130 -7.777 -1.187 1.00 0.67 H new ATOM 0 HA ILE A 48 -8.186 -6.998 1.486 1.00 0.72 H new ATOM 0 HB ILE A 48 -7.300 -5.199 -0.746 1.00 0.71 H new ATOM 0 HG12 ILE A 48 -5.358 -6.585 -0.286 1.00 0.78 H new ATOM 0 HG13 ILE A 48 -5.099 -4.989 0.390 1.00 0.78 H new ATOM 0 HG21 ILE A 48 -6.972 -3.602 1.131 1.00 0.82 H new ATOM 0 HG22 ILE A 48 -8.648 -4.194 1.045 1.00 0.82 H new ATOM 0 HG23 ILE A 48 -7.536 -4.847 2.271 1.00 0.82 H new ATOM 0 HD11 ILE A 48 -4.389 -6.738 1.973 1.00 0.97 H new ATOM 0 HD12 ILE A 48 -5.761 -5.819 2.635 1.00 0.97 H new ATOM 0 HD13 ILE A 48 -6.025 -7.439 1.947 1.00 0.97 H new ATOM 761 N PRO A 49 -10.540 -6.929 0.465 1.00 0.84 N ATOM 762 CA PRO A 49 -11.913 -6.816 -0.078 1.00 0.93 C ATOM 763 C PRO A 49 -12.401 -5.376 -0.286 1.00 0.93 C ATOM 764 O PRO A 49 -12.236 -4.510 0.583 1.00 1.08 O ATOM 765 CB PRO A 49 -12.774 -7.547 0.956 1.00 1.07 C ATOM 766 CG PRO A 49 -11.995 -7.481 2.225 1.00 1.06 C ATOM 767 CD PRO A 49 -10.541 -7.494 1.829 1.00 0.92 C ATOM 0 HA PRO A 49 -11.965 -7.241 -1.080 1.00 0.93 H new ATOM 0 HB2 PRO A 49 -13.748 -7.070 1.066 1.00 1.07 H new ATOM 0 HB3 PRO A 49 -12.956 -8.580 0.658 1.00 1.07 H new ATOM 0 HG2 PRO A 49 -12.238 -6.577 2.784 1.00 1.06 H new ATOM 0 HG3 PRO A 49 -12.230 -8.328 2.870 1.00 1.06 H new ATOM 0 HD2 PRO A 49 -9.936 -6.895 2.510 1.00 0.92 H new ATOM 0 HD3 PRO A 49 -10.132 -8.504 1.843 1.00 0.92 H new ATOM 775 N TYR A 50 -13.032 -5.154 -1.441 1.00 0.87 N ATOM 776 CA TYR A 50 -13.598 -3.857 -1.813 1.00 0.91 C ATOM 777 C TYR A 50 -15.118 -3.976 -1.848 1.00 1.12 C ATOM 778 O TYR A 50 -15.660 -4.926 -2.420 1.00 1.91 O ATOM 779 CB TYR A 50 -13.057 -3.421 -3.181 1.00 0.92 C ATOM 780 CG TYR A 50 -13.299 -1.958 -3.469 1.00 0.94 C ATOM 781 CD1 TYR A 50 -12.382 -1.008 -3.050 1.00 1.02 C ATOM 782 CD2 TYR A 50 -14.441 -1.560 -4.144 1.00 1.13 C ATOM 783 CE1 TYR A 50 -12.605 0.333 -3.311 1.00 1.13 C ATOM 784 CE2 TYR A 50 -14.662 -0.219 -4.404 1.00 1.24 C ATOM 785 CZ TYR A 50 -13.745 0.722 -3.983 1.00 1.17 C ATOM 786 OH TYR A 50 -13.969 2.054 -4.240 1.00 1.34 O ATOM 0 H TYR A 50 -13.165 -5.876 -2.150 1.00 0.87 H new ATOM 0 HA TYR A 50 -13.313 -3.102 -1.080 1.00 0.91 H new ATOM 0 HB2 TYR A 50 -11.987 -3.622 -3.224 1.00 0.92 H new ATOM 0 HB3 TYR A 50 -13.526 -4.022 -3.960 1.00 0.92 H new ATOM 0 HD1 TYR A 50 -11.492 -1.314 -2.519 1.00 1.02 H new ATOM 0 HD2 TYR A 50 -15.160 -2.298 -4.468 1.00 1.13 H new ATOM 0 HE1 TYR A 50 -11.888 1.073 -2.989 1.00 1.13 H new ATOM 0 HE2 TYR A 50 -15.550 0.090 -4.935 1.00 1.24 H new ATOM 0 HH TYR A 50 -14.673 2.143 -4.916 1.00 1.34 H new ATOM 796 N HIS A 51 -15.795 -3.020 -1.213 1.00 1.28 N ATOM 797 CA HIS A 51 -17.264 -2.991 -1.128 1.00 1.53 C ATOM 798 C HIS A 51 -17.776 -4.071 -0.166 1.00 1.61 C ATOM 799 O HIS A 51 -16.996 -4.826 0.422 1.00 2.07 O ATOM 800 CB HIS A 51 -17.911 -3.154 -2.527 1.00 2.01 C ATOM 801 CG HIS A 51 -18.811 -2.015 -2.889 1.00 2.54 C ATOM 802 ND1 HIS A 51 -20.173 -2.127 -3.024 1.00 3.19 N ATOM 803 CD2 HIS A 51 -18.538 -0.715 -3.145 1.00 2.89 C ATOM 804 CE1 HIS A 51 -20.707 -0.973 -3.343 1.00 3.87 C ATOM 805 NE2 HIS A 51 -19.733 -0.080 -3.428 1.00 3.74 N ATOM 0 H HIS A 51 -15.343 -2.238 -0.739 1.00 1.28 H new ATOM 0 HA HIS A 51 -17.554 -2.016 -0.736 1.00 1.53 H new ATOM 0 HB2 HIS A 51 -17.125 -3.242 -3.277 1.00 2.01 H new ATOM 0 HB3 HIS A 51 -18.481 -4.083 -2.552 1.00 2.01 H new ATOM 0 HD1 HIS A 51 -20.698 -2.992 -2.894 1.00 3.19 H new ATOM 0 HD2 HIS A 51 -17.561 -0.255 -3.131 1.00 2.89 H new ATOM 0 HE1 HIS A 51 -21.757 -0.784 -3.508 1.00 3.87 H new ATOM 813 N SER A 52 -19.095 -4.132 -0.009 1.00 1.60 N ATOM 814 CA SER A 52 -19.742 -5.108 0.878 1.00 1.96 C ATOM 815 C SER A 52 -19.806 -6.478 0.201 1.00 1.85 C ATOM 816 O SER A 52 -19.405 -7.489 0.777 1.00 2.45 O ATOM 817 CB SER A 52 -21.159 -4.622 1.252 1.00 2.44 C ATOM 818 OG SER A 52 -21.554 -3.502 0.455 1.00 2.65 O ATOM 0 H SER A 52 -19.748 -3.512 -0.488 1.00 1.60 H new ATOM 0 HA SER A 52 -19.153 -5.203 1.790 1.00 1.96 H new ATOM 0 HB2 SER A 52 -21.872 -5.436 1.117 1.00 2.44 H new ATOM 0 HB3 SER A 52 -21.185 -4.347 2.306 1.00 2.44 H new ATOM 0 HG SER A 52 -21.648 -3.782 -0.479 1.00 2.65 H new ATOM 824 N GLU A 53 -20.311 -6.493 -1.030 1.00 1.45 N ATOM 825 CA GLU A 53 -20.441 -7.720 -1.818 1.00 1.37 C ATOM 826 C GLU A 53 -19.164 -7.952 -2.632 1.00 1.08 C ATOM 827 O GLU A 53 -19.087 -7.595 -3.809 1.00 1.24 O ATOM 828 CB GLU A 53 -21.675 -7.637 -2.737 1.00 1.73 C ATOM 829 CG GLU A 53 -21.822 -6.265 -3.421 1.00 2.39 C ATOM 830 CD GLU A 53 -22.452 -5.245 -2.478 1.00 2.88 C ATOM 831 OE1 GLU A 53 -23.655 -5.387 -2.161 1.00 3.46 O ATOM 832 OE2 GLU A 53 -21.763 -4.285 -2.076 1.00 3.23 O ATOM 0 H GLU A 53 -20.642 -5.657 -1.511 1.00 1.45 H new ATOM 0 HA GLU A 53 -20.580 -8.566 -1.145 1.00 1.37 H new ATOM 0 HB2 GLU A 53 -21.606 -8.412 -3.500 1.00 1.73 H new ATOM 0 HB3 GLU A 53 -22.572 -7.844 -2.153 1.00 1.73 H new ATOM 0 HG2 GLU A 53 -20.844 -5.910 -3.744 1.00 2.39 H new ATOM 0 HG3 GLU A 53 -22.436 -6.365 -4.316 1.00 2.39 H new ATOM 839 N VAL A 54 -18.163 -8.539 -1.982 1.00 0.84 N ATOM 840 CA VAL A 54 -16.866 -8.819 -2.614 1.00 0.66 C ATOM 841 C VAL A 54 -16.942 -10.057 -3.517 1.00 0.55 C ATOM 842 O VAL A 54 -16.520 -10.001 -4.669 1.00 0.49 O ATOM 843 CB VAL A 54 -15.761 -9.008 -1.552 1.00 0.81 C ATOM 844 CG1 VAL A 54 -14.418 -8.499 -2.083 1.00 0.77 C ATOM 845 CG2 VAL A 54 -16.125 -8.304 -0.240 1.00 1.34 C ATOM 0 H VAL A 54 -18.222 -8.835 -1.008 1.00 0.84 H new ATOM 0 HA VAL A 54 -16.613 -7.957 -3.231 1.00 0.66 H new ATOM 0 HB VAL A 54 -15.672 -10.074 -1.344 1.00 0.81 H new ATOM 0 HG11 VAL A 54 -13.649 -8.639 -1.323 1.00 0.77 H new ATOM 0 HG12 VAL A 54 -14.147 -9.056 -2.980 1.00 0.77 H new ATOM 0 HG13 VAL A 54 -14.500 -7.439 -2.325 1.00 0.77 H new ATOM 0 HG21 VAL A 54 -15.328 -8.455 0.488 1.00 1.34 H new ATOM 0 HG22 VAL A 54 -16.252 -7.237 -0.423 1.00 1.34 H new ATOM 0 HG23 VAL A 54 -17.055 -8.718 0.149 1.00 1.34 H new ATOM 855 N PRO A 55 -17.481 -11.193 -3.007 1.00 0.62 N ATOM 856 CA PRO A 55 -17.596 -12.436 -3.781 1.00 0.59 C ATOM 857 C PRO A 55 -18.914 -12.507 -4.563 1.00 0.58 C ATOM 858 O PRO A 55 -19.992 -12.318 -3.995 1.00 0.83 O ATOM 859 CB PRO A 55 -17.536 -13.523 -2.706 1.00 0.76 C ATOM 860 CG PRO A 55 -18.008 -12.875 -1.434 1.00 0.87 C ATOM 861 CD PRO A 55 -18.021 -11.376 -1.646 1.00 0.83 C ATOM 0 HA PRO A 55 -16.817 -12.530 -4.537 1.00 0.59 H new ATOM 0 HB2 PRO A 55 -18.170 -14.369 -2.971 1.00 0.76 H new ATOM 0 HB3 PRO A 55 -16.522 -13.907 -2.595 1.00 0.76 H new ATOM 0 HG2 PRO A 55 -19.005 -13.231 -1.173 1.00 0.87 H new ATOM 0 HG3 PRO A 55 -17.349 -13.137 -0.606 1.00 0.87 H new ATOM 0 HD2 PRO A 55 -19.030 -10.971 -1.561 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -17.409 -10.864 -0.903 1.00 0.83 H new ATOM 869 N VAL A 56 -18.821 -12.782 -5.862 1.00 0.41 N ATOM 870 CA VAL A 56 -19.996 -12.881 -6.732 1.00 0.43 C ATOM 871 C VAL A 56 -19.866 -14.111 -7.633 1.00 0.42 C ATOM 872 O VAL A 56 -18.788 -14.391 -8.167 1.00 0.43 O ATOM 873 CB VAL A 56 -20.125 -11.591 -7.566 1.00 0.44 C ATOM 874 CG1 VAL A 56 -21.055 -11.776 -8.770 1.00 0.62 C ATOM 875 CG2 VAL A 56 -20.630 -10.443 -6.688 1.00 0.63 C ATOM 0 H VAL A 56 -17.935 -12.942 -6.342 1.00 0.41 H new ATOM 0 HA VAL A 56 -20.898 -12.994 -6.130 1.00 0.43 H new ATOM 0 HB VAL A 56 -19.133 -11.350 -7.948 1.00 0.44 H new ATOM 0 HG11 VAL A 56 -21.116 -10.842 -9.329 1.00 0.62 H new ATOM 0 HG12 VAL A 56 -20.662 -12.561 -9.416 1.00 0.62 H new ATOM 0 HG13 VAL A 56 -22.049 -12.057 -8.422 1.00 0.62 H new ATOM 0 HG21 VAL A 56 -20.717 -9.537 -7.288 1.00 0.63 H new ATOM 0 HG22 VAL A 56 -21.606 -10.701 -6.277 1.00 0.63 H new ATOM 0 HG23 VAL A 56 -19.927 -10.272 -5.873 1.00 0.63 H new ATOM 885 N SER A 57 -20.969 -14.838 -7.794 1.00 0.47 N ATOM 886 CA SER A 57 -21.014 -16.035 -8.614 1.00 0.48 C ATOM 887 C SER A 57 -21.485 -15.693 -10.033 1.00 0.46 C ATOM 888 O SER A 57 -22.568 -15.132 -10.216 1.00 0.59 O ATOM 889 CB SER A 57 -21.972 -17.024 -7.971 1.00 0.61 C ATOM 890 OG SER A 57 -21.556 -17.354 -6.650 1.00 0.91 O ATOM 0 H SER A 57 -21.860 -14.607 -7.354 1.00 0.47 H new ATOM 0 HA SER A 57 -20.017 -16.471 -8.683 1.00 0.48 H new ATOM 0 HB2 SER A 57 -22.975 -16.599 -7.944 1.00 0.61 H new ATOM 0 HB3 SER A 57 -22.026 -17.929 -8.576 1.00 0.61 H new ATOM 0 HG SER A 57 -20.801 -17.977 -6.691 1.00 0.91 H new ATOM 896 N LEU A 58 -20.681 -16.058 -11.034 1.00 0.44 N ATOM 897 CA LEU A 58 -21.016 -15.815 -12.447 1.00 0.49 C ATOM 898 C LEU A 58 -21.913 -16.941 -12.987 1.00 0.60 C ATOM 899 O LEU A 58 -21.893 -17.259 -14.179 1.00 0.89 O ATOM 900 CB LEU A 58 -19.730 -15.703 -13.281 1.00 0.67 C ATOM 901 CG LEU A 58 -19.077 -14.328 -13.125 1.00 0.70 C ATOM 902 CD1 LEU A 58 -17.671 -14.346 -13.718 1.00 0.86 C ATOM 903 CD2 LEU A 58 -19.927 -13.239 -13.787 1.00 0.60 C ATOM 0 H LEU A 58 -19.786 -16.527 -10.895 1.00 0.44 H new ATOM 0 HA LEU A 58 -21.564 -14.876 -12.522 1.00 0.49 H new ATOM 0 HB2 LEU A 58 -19.027 -16.477 -12.973 1.00 0.67 H new ATOM 0 HB3 LEU A 58 -19.960 -15.880 -14.332 1.00 0.67 H new ATOM 0 HG LEU A 58 -19.008 -14.098 -12.062 1.00 0.70 H new ATOM 0 HD11 LEU A 58 -17.215 -13.363 -13.602 1.00 0.86 H new ATOM 0 HD12 LEU A 58 -17.067 -15.090 -13.199 1.00 0.86 H new ATOM 0 HD13 LEU A 58 -17.726 -14.598 -14.777 1.00 0.86 H new ATOM 0 HD21 LEU A 58 -19.441 -12.272 -13.662 1.00 0.60 H new ATOM 0 HD22 LEU A 58 -20.034 -13.457 -14.850 1.00 0.60 H new ATOM 0 HD23 LEU A 58 -20.912 -13.213 -13.321 1.00 0.60 H new ATOM 915 N LYS A 59 -22.714 -17.522 -12.092 1.00 0.70 N ATOM 916 CA LYS A 59 -23.647 -18.593 -12.435 1.00 0.90 C ATOM 917 C LYS A 59 -24.933 -17.968 -12.976 1.00 0.87 C ATOM 918 O LYS A 59 -25.608 -17.224 -12.260 1.00 0.95 O ATOM 919 CB LYS A 59 -23.938 -19.435 -11.184 1.00 1.13 C ATOM 920 CG LYS A 59 -24.697 -20.722 -11.522 1.00 1.41 C ATOM 921 CD LYS A 59 -26.092 -20.736 -10.892 1.00 1.78 C ATOM 922 CE LYS A 59 -26.018 -20.744 -9.359 1.00 2.18 C ATOM 923 NZ LYS A 59 -26.739 -19.582 -8.765 1.00 2.83 N ATOM 0 H LYS A 59 -22.733 -17.261 -11.106 1.00 0.70 H new ATOM 0 HA LYS A 59 -23.217 -19.243 -13.197 1.00 0.90 H new ATOM 0 HB2 LYS A 59 -22.999 -19.687 -10.690 1.00 1.13 H new ATOM 0 HB3 LYS A 59 -24.522 -18.845 -10.478 1.00 1.13 H new ATOM 0 HG2 LYS A 59 -24.785 -20.820 -12.604 1.00 1.41 H new ATOM 0 HG3 LYS A 59 -24.129 -21.583 -11.169 1.00 1.41 H new ATOM 0 HD2 LYS A 59 -26.652 -19.862 -11.226 1.00 1.78 H new ATOM 0 HD3 LYS A 59 -26.638 -21.614 -11.235 1.00 1.78 H new ATOM 0 HE2 LYS A 59 -26.447 -21.671 -8.979 1.00 2.18 H new ATOM 0 HE3 LYS A 59 -24.974 -20.724 -9.045 1.00 2.18 H new ATOM 0 HZ1 LYS A 59 -26.667 -19.622 -7.728 1.00 2.83 H new ATOM 0 HZ2 LYS A 59 -26.313 -18.697 -9.108 1.00 2.83 H new ATOM 0 HZ3 LYS A 59 -27.740 -19.615 -9.044 1.00 2.83 H new ATOM 937 N GLU A 60 -25.242 -18.248 -14.247 1.00 0.89 N ATOM 938 CA GLU A 60 -26.429 -17.703 -14.927 1.00 0.93 C ATOM 939 C GLU A 60 -26.323 -16.176 -15.026 1.00 0.71 C ATOM 940 O GLU A 60 -27.241 -15.445 -14.638 1.00 0.82 O ATOM 941 CB GLU A 60 -27.722 -18.127 -14.207 1.00 1.20 C ATOM 942 CG GLU A 60 -27.966 -19.639 -14.331 1.00 1.43 C ATOM 943 CD GLU A 60 -29.136 -19.918 -15.263 1.00 1.80 C ATOM 944 OE1 GLU A 60 -30.296 -19.744 -14.841 1.00 2.33 O ATOM 945 OE2 GLU A 60 -28.902 -20.324 -16.419 1.00 2.04 O ATOM 0 H GLU A 60 -24.677 -18.859 -14.836 1.00 0.89 H new ATOM 0 HA GLU A 60 -26.470 -18.112 -15.937 1.00 0.93 H new ATOM 0 HB2 GLU A 60 -27.660 -17.853 -13.154 1.00 1.20 H new ATOM 0 HB3 GLU A 60 -28.569 -17.585 -14.628 1.00 1.20 H new ATOM 0 HG2 GLU A 60 -27.068 -20.128 -14.709 1.00 1.43 H new ATOM 0 HG3 GLU A 60 -28.169 -20.062 -13.347 1.00 1.43 H new ATOM 952 N ALA A 61 -25.183 -15.709 -15.546 1.00 0.51 N ATOM 953 CA ALA A 61 -24.911 -14.278 -15.710 1.00 0.35 C ATOM 954 C ALA A 61 -25.234 -13.847 -17.142 1.00 0.35 C ATOM 955 O ALA A 61 -24.656 -14.370 -18.093 1.00 0.43 O ATOM 956 CB ALA A 61 -23.435 -13.983 -15.396 1.00 0.31 C ATOM 0 H ALA A 61 -24.424 -16.312 -15.864 1.00 0.51 H new ATOM 0 HA ALA A 61 -25.540 -13.717 -15.018 1.00 0.35 H new ATOM 0 HB1 ALA A 61 -23.242 -12.917 -15.521 1.00 0.31 H new ATOM 0 HB2 ALA A 61 -23.217 -14.274 -14.368 1.00 0.31 H new ATOM 0 HB3 ALA A 61 -22.798 -14.549 -16.076 1.00 0.31 H new ATOM 962 N ILE A 62 -26.146 -12.887 -17.288 1.00 0.34 N ATOM 963 CA ILE A 62 -26.536 -12.371 -18.604 1.00 0.37 C ATOM 964 C ILE A 62 -25.810 -11.049 -18.850 1.00 0.31 C ATOM 965 O ILE A 62 -25.800 -10.168 -17.987 1.00 0.31 O ATOM 966 CB ILE A 62 -28.057 -12.186 -18.672 1.00 0.46 C ATOM 967 CG1 ILE A 62 -28.772 -13.510 -18.353 1.00 0.53 C ATOM 968 CG2 ILE A 62 -28.476 -11.672 -20.054 1.00 0.57 C ATOM 969 CD1 ILE A 62 -30.289 -13.345 -18.335 1.00 1.27 C ATOM 0 H ILE A 62 -26.633 -12.447 -16.507 1.00 0.34 H new ATOM 0 HA ILE A 62 -26.255 -13.082 -19.381 1.00 0.37 H new ATOM 0 HB ILE A 62 -28.348 -11.445 -17.927 1.00 0.46 H new ATOM 0 HG12 ILE A 62 -28.497 -14.260 -19.095 1.00 0.53 H new ATOM 0 HG13 ILE A 62 -28.435 -13.881 -17.385 1.00 0.53 H new ATOM 0 HG21 ILE A 62 -29.558 -11.547 -20.083 1.00 0.57 H new ATOM 0 HG22 ILE A 62 -27.995 -10.713 -20.247 1.00 0.57 H new ATOM 0 HG23 ILE A 62 -28.173 -12.390 -20.816 1.00 0.57 H new ATOM 0 HD11 ILE A 62 -30.756 -14.303 -18.106 1.00 1.27 H new ATOM 0 HD12 ILE A 62 -30.567 -12.615 -17.575 1.00 1.27 H new ATOM 0 HD13 ILE A 62 -30.629 -12.999 -19.311 1.00 1.27 H new ATOM 981 N CYS A 63 -25.183 -10.925 -20.015 1.00 0.34 N ATOM 982 CA CYS A 63 -24.421 -9.726 -20.371 1.00 0.33 C ATOM 983 C CYS A 63 -24.920 -9.141 -21.699 1.00 0.34 C ATOM 984 O CYS A 63 -25.233 -9.878 -22.641 1.00 0.52 O ATOM 985 CB CYS A 63 -22.929 -10.085 -20.452 1.00 0.37 C ATOM 986 SG CYS A 63 -21.849 -8.691 -20.097 1.00 0.53 S ATOM 0 H CYS A 63 -25.186 -11.646 -20.737 1.00 0.34 H new ATOM 0 HA CYS A 63 -24.563 -8.964 -19.605 1.00 0.33 H new ATOM 0 HB2 CYS A 63 -22.716 -10.890 -19.749 1.00 0.37 H new ATOM 0 HB3 CYS A 63 -22.706 -10.465 -21.449 1.00 0.37 H new ATOM 0 HG CYS A 63 -22.566 -7.665 -19.745 1.00 0.53 H new ATOM 992 N GLU A 64 -24.988 -7.808 -21.759 1.00 0.26 N ATOM 993 CA GLU A 64 -25.441 -7.072 -22.950 1.00 0.29 C ATOM 994 C GLU A 64 -24.476 -5.913 -23.224 1.00 0.24 C ATOM 995 O GLU A 64 -23.667 -5.564 -22.369 1.00 0.36 O ATOM 996 CB GLU A 64 -26.858 -6.515 -22.728 1.00 0.33 C ATOM 997 CG GLU A 64 -27.761 -7.502 -21.978 1.00 0.81 C ATOM 998 CD GLU A 64 -29.149 -6.907 -21.806 1.00 1.41 C ATOM 999 OE1 GLU A 64 -29.970 -7.014 -22.741 1.00 1.83 O ATOM 1000 OE2 GLU A 64 -29.426 -6.339 -20.735 1.00 1.96 O ATOM 0 H GLU A 64 -24.730 -7.203 -20.980 1.00 0.26 H new ATOM 0 HA GLU A 64 -25.459 -7.752 -23.802 1.00 0.29 H new ATOM 0 HB2 GLU A 64 -26.796 -5.584 -22.165 1.00 0.33 H new ATOM 0 HB3 GLU A 64 -27.307 -6.276 -23.692 1.00 0.33 H new ATOM 0 HG2 GLU A 64 -27.824 -8.441 -22.528 1.00 0.81 H new ATOM 0 HG3 GLU A 64 -27.331 -7.732 -21.003 1.00 0.81 H new ATOM 1007 N VAL A 65 -24.572 -5.308 -24.406 1.00 0.34 N ATOM 1008 CA VAL A 65 -23.708 -4.176 -24.776 1.00 0.32 C ATOM 1009 C VAL A 65 -24.475 -2.855 -24.589 1.00 0.31 C ATOM 1010 O VAL A 65 -25.705 -2.816 -24.717 1.00 0.43 O ATOM 1011 CB VAL A 65 -23.222 -4.322 -26.232 1.00 0.45 C ATOM 1012 CG1 VAL A 65 -21.954 -3.489 -26.467 1.00 0.34 C ATOM 1013 CG2 VAL A 65 -22.957 -5.793 -26.578 1.00 0.39 C ATOM 0 H VAL A 65 -25.239 -5.579 -25.129 1.00 0.34 H new ATOM 0 HA VAL A 65 -22.832 -4.170 -24.127 1.00 0.32 H new ATOM 0 HB VAL A 65 -24.011 -3.951 -26.885 1.00 0.45 H new ATOM 0 HG11 VAL A 65 -21.628 -3.606 -27.500 1.00 0.34 H new ATOM 0 HG12 VAL A 65 -22.167 -2.438 -26.271 1.00 0.34 H new ATOM 0 HG13 VAL A 65 -21.165 -3.830 -25.797 1.00 0.34 H new ATOM 0 HG21 VAL A 65 -22.615 -5.868 -27.610 1.00 0.39 H new ATOM 0 HG22 VAL A 65 -22.191 -6.191 -25.912 1.00 0.39 H new ATOM 0 HG23 VAL A 65 -23.876 -6.366 -26.457 1.00 0.39 H new ATOM 1023 N ALA A 66 -23.749 -1.779 -24.276 1.00 0.25 N ATOM 1024 CA ALA A 66 -24.344 -0.455 -24.066 1.00 0.31 C ATOM 1025 C ALA A 66 -23.551 0.605 -24.831 1.00 0.34 C ATOM 1026 O ALA A 66 -22.390 0.912 -24.504 1.00 0.36 O ATOM 1027 CB ALA A 66 -24.380 -0.110 -22.572 1.00 0.36 C ATOM 0 H ALA A 66 -22.736 -1.800 -24.161 1.00 0.25 H new ATOM 0 HA ALA A 66 -25.367 -0.473 -24.441 1.00 0.31 H new ATOM 0 HB1 ALA A 66 -24.825 0.876 -22.437 1.00 0.36 H new ATOM 0 HB2 ALA A 66 -24.976 -0.853 -22.041 1.00 0.36 H new ATOM 0 HB3 ALA A 66 -23.365 -0.108 -22.175 1.00 0.36 H new ATOM 1033 N LEU A 67 -24.197 1.149 -25.858 1.00 0.55 N ATOM 1034 CA LEU A 67 -23.621 2.180 -26.720 1.00 0.71 C ATOM 1035 C LEU A 67 -24.377 3.508 -26.553 1.00 0.89 C ATOM 1036 O LEU A 67 -23.758 4.567 -26.488 1.00 1.22 O ATOM 1037 CB LEU A 67 -23.683 1.717 -28.179 1.00 0.76 C ATOM 1038 CG LEU A 67 -22.435 0.920 -28.574 1.00 0.99 C ATOM 1039 CD1 LEU A 67 -22.674 0.166 -29.883 1.00 1.38 C ATOM 1040 CD2 LEU A 67 -21.212 1.834 -28.690 1.00 1.39 C ATOM 0 H LEU A 67 -25.147 0.884 -26.119 1.00 0.55 H new ATOM 0 HA LEU A 67 -22.581 2.341 -26.435 1.00 0.71 H new ATOM 0 HB2 LEU A 67 -24.570 1.102 -28.328 1.00 0.76 H new ATOM 0 HB3 LEU A 67 -23.783 2.584 -28.832 1.00 0.76 H new ATOM 0 HG LEU A 67 -22.234 0.192 -27.788 1.00 0.99 H new ATOM 0 HD11 LEU A 67 -21.778 -0.395 -30.149 1.00 1.38 H new ATOM 0 HD12 LEU A 67 -23.509 -0.523 -29.759 1.00 1.38 H new ATOM 0 HD13 LEU A 67 -22.905 0.877 -30.676 1.00 1.38 H new ATOM 0 HD21 LEU A 67 -20.341 1.242 -28.971 1.00 1.39 H new ATOM 0 HD22 LEU A 67 -21.396 2.593 -29.450 1.00 1.39 H new ATOM 0 HD23 LEU A 67 -21.027 2.318 -27.731 1.00 1.39 H new ATOM 1052 N ASP A 68 -25.715 3.455 -26.489 1.00 0.90 N ATOM 1053 CA ASP A 68 -26.545 4.662 -26.338 1.00 1.14 C ATOM 1054 C ASP A 68 -26.678 5.072 -24.860 1.00 0.87 C ATOM 1055 O ASP A 68 -27.749 5.484 -24.413 1.00 1.00 O ATOM 1056 CB ASP A 68 -27.933 4.414 -26.957 1.00 1.59 C ATOM 1057 CG ASP A 68 -28.493 5.700 -27.559 1.00 2.35 C ATOM 1058 OD1 ASP A 68 -28.152 6.011 -28.718 1.00 3.07 O ATOM 1059 OD2 ASP A 68 -29.267 6.402 -26.880 1.00 2.62 O ATOM 0 H ASP A 68 -26.248 2.587 -26.540 1.00 0.90 H new ATOM 0 HA ASP A 68 -26.057 5.484 -26.862 1.00 1.14 H new ATOM 0 HB2 ASP A 68 -27.861 3.647 -27.728 1.00 1.59 H new ATOM 0 HB3 ASP A 68 -28.615 4.037 -26.195 1.00 1.59 H new ATOM 1064 N TYR A 69 -25.578 4.978 -24.119 1.00 0.81 N ATOM 1065 CA TYR A 69 -25.533 5.352 -22.699 1.00 0.69 C ATOM 1066 C TYR A 69 -24.443 6.408 -22.493 1.00 0.97 C ATOM 1067 O TYR A 69 -23.783 6.823 -23.449 1.00 1.47 O ATOM 1068 CB TYR A 69 -25.221 4.110 -21.838 1.00 0.58 C ATOM 1069 CG TYR A 69 -25.601 4.287 -20.384 1.00 0.53 C ATOM 1070 CD1 TYR A 69 -26.935 4.393 -20.022 1.00 0.72 C ATOM 1071 CD2 TYR A 69 -24.616 4.348 -19.411 1.00 0.55 C ATOM 1072 CE1 TYR A 69 -27.282 4.567 -18.693 1.00 0.85 C ATOM 1073 CE2 TYR A 69 -24.965 4.520 -18.082 1.00 0.64 C ATOM 1074 CZ TYR A 69 -26.296 4.628 -17.728 1.00 0.76 C ATOM 1075 OH TYR A 69 -26.638 4.798 -16.406 1.00 0.97 O ATOM 0 H TYR A 69 -24.687 4.640 -24.483 1.00 0.81 H new ATOM 0 HA TYR A 69 -26.500 5.757 -22.399 1.00 0.69 H new ATOM 0 HB2 TYR A 69 -25.753 3.250 -22.245 1.00 0.58 H new ATOM 0 HB3 TYR A 69 -24.156 3.887 -21.905 1.00 0.58 H new ATOM 0 HD1 TYR A 69 -27.705 4.340 -20.778 1.00 0.72 H new ATOM 0 HD2 TYR A 69 -23.576 4.261 -19.689 1.00 0.55 H new ATOM 0 HE1 TYR A 69 -28.321 4.655 -18.412 1.00 0.85 H new ATOM 0 HE2 TYR A 69 -24.198 4.570 -17.323 1.00 0.64 H new ATOM 0 HH TYR A 69 -25.826 4.819 -15.858 1.00 0.97 H new ATOM 1085 N LYS A 70 -24.216 6.802 -21.238 1.00 1.40 N ATOM 1086 CA LYS A 70 -23.158 7.763 -20.900 1.00 1.81 C ATOM 1087 C LYS A 70 -21.832 6.995 -20.929 1.00 1.82 C ATOM 1088 O LYS A 70 -21.218 6.727 -19.893 1.00 2.53 O ATOM 1089 CB LYS A 70 -23.411 8.369 -19.511 1.00 2.43 C ATOM 1090 CG LYS A 70 -24.750 9.115 -19.438 1.00 2.98 C ATOM 1091 CD LYS A 70 -25.355 9.005 -18.037 1.00 3.79 C ATOM 1092 CE LYS A 70 -26.665 9.791 -17.913 1.00 4.45 C ATOM 1093 NZ LYS A 70 -27.368 9.484 -16.636 1.00 4.84 N ATOM 0 H LYS A 70 -24.751 6.471 -20.435 1.00 1.40 H new ATOM 0 HA LYS A 70 -23.136 8.589 -21.611 1.00 1.81 H new ATOM 0 HB2 LYS A 70 -23.398 7.576 -18.763 1.00 2.43 H new ATOM 0 HB3 LYS A 70 -22.601 9.055 -19.263 1.00 2.43 H new ATOM 0 HG2 LYS A 70 -24.602 10.164 -19.694 1.00 2.98 H new ATOM 0 HG3 LYS A 70 -25.442 8.702 -20.172 1.00 2.98 H new ATOM 0 HD2 LYS A 70 -25.538 7.956 -17.803 1.00 3.79 H new ATOM 0 HD3 LYS A 70 -24.639 9.375 -17.303 1.00 3.79 H new ATOM 0 HE2 LYS A 70 -26.456 10.859 -17.966 1.00 4.45 H new ATOM 0 HE3 LYS A 70 -27.315 9.551 -18.754 1.00 4.45 H new ATOM 0 HZ1 LYS A 70 -28.250 10.033 -16.585 1.00 4.84 H new ATOM 0 HZ2 LYS A 70 -27.589 8.469 -16.597 1.00 4.84 H new ATOM 0 HZ3 LYS A 70 -26.756 9.736 -15.834 1.00 4.84 H new ATOM 1107 N LYS A 71 -21.457 6.573 -22.133 1.00 1.80 N ATOM 1108 CA LYS A 71 -20.274 5.750 -22.360 1.00 2.22 C ATOM 1109 C LYS A 71 -18.997 6.547 -22.587 1.00 2.19 C ATOM 1110 O LYS A 71 -19.005 7.751 -22.856 1.00 2.78 O ATOM 1111 CB LYS A 71 -20.531 4.840 -23.579 1.00 2.97 C ATOM 1112 CG LYS A 71 -20.927 5.645 -24.828 1.00 3.56 C ATOM 1113 CD LYS A 71 -20.135 5.203 -26.064 1.00 4.44 C ATOM 1114 CE LYS A 71 -20.717 5.791 -27.358 1.00 5.27 C ATOM 1115 NZ LYS A 71 -20.981 7.254 -27.247 1.00 5.62 N ATOM 0 H LYS A 71 -21.971 6.795 -22.986 1.00 1.80 H new ATOM 0 HA LYS A 71 -20.113 5.172 -21.450 1.00 2.22 H new ATOM 0 HB2 LYS A 71 -19.634 4.258 -23.792 1.00 2.97 H new ATOM 0 HB3 LYS A 71 -21.322 4.129 -23.340 1.00 2.97 H new ATOM 0 HG2 LYS A 71 -21.994 5.522 -25.017 1.00 3.56 H new ATOM 0 HG3 LYS A 71 -20.755 6.706 -24.646 1.00 3.56 H new ATOM 0 HD2 LYS A 71 -19.096 5.514 -25.959 1.00 4.44 H new ATOM 0 HD3 LYS A 71 -20.137 4.115 -26.127 1.00 4.44 H new ATOM 0 HE2 LYS A 71 -20.024 5.611 -28.180 1.00 5.27 H new ATOM 0 HE3 LYS A 71 -21.645 5.274 -27.604 1.00 5.27 H new ATOM 0 HZ1 LYS A 71 -21.210 7.638 -28.186 1.00 5.62 H new ATOM 0 HZ2 LYS A 71 -21.781 7.414 -26.603 1.00 5.62 H new ATOM 0 HZ3 LYS A 71 -20.136 7.732 -26.875 1.00 5.62 H new ATOM 1129 N LYS A 72 -17.907 5.801 -22.515 1.00 2.22 N ATOM 1130 CA LYS A 72 -16.556 6.276 -22.742 1.00 2.54 C ATOM 1131 C LYS A 72 -15.862 5.124 -23.462 1.00 1.92 C ATOM 1132 O LYS A 72 -15.418 4.169 -22.831 1.00 2.45 O ATOM 1133 CB LYS A 72 -15.861 6.627 -21.410 1.00 3.71 C ATOM 1134 CG LYS A 72 -14.847 7.763 -21.582 1.00 4.59 C ATOM 1135 CD LYS A 72 -13.437 7.235 -21.903 1.00 5.67 C ATOM 1136 CE LYS A 72 -12.526 7.234 -20.671 1.00 6.56 C ATOM 1137 NZ LYS A 72 -12.930 6.192 -19.684 1.00 7.03 N ATOM 0 H LYS A 72 -17.943 4.807 -22.287 1.00 2.22 H new ATOM 0 HA LYS A 72 -16.528 7.194 -23.330 1.00 2.54 H new ATOM 0 HB2 LYS A 72 -16.611 6.917 -20.674 1.00 3.71 H new ATOM 0 HB3 LYS A 72 -15.355 5.744 -21.020 1.00 3.71 H new ATOM 0 HG2 LYS A 72 -15.177 8.425 -22.383 1.00 4.59 H new ATOM 0 HG3 LYS A 72 -14.812 8.359 -20.670 1.00 4.59 H new ATOM 0 HD2 LYS A 72 -13.511 6.222 -22.299 1.00 5.67 H new ATOM 0 HD3 LYS A 72 -12.989 7.850 -22.684 1.00 5.67 H new ATOM 0 HE2 LYS A 72 -11.496 7.061 -20.981 1.00 6.56 H new ATOM 0 HE3 LYS A 72 -12.555 8.215 -20.197 1.00 6.56 H new ATOM 0 HZ1 LYS A 72 -12.084 5.815 -19.211 1.00 7.03 H new ATOM 0 HZ2 LYS A 72 -13.564 6.613 -18.975 1.00 7.03 H new ATOM 0 HZ3 LYS A 72 -13.424 5.420 -20.176 1.00 7.03 H new ATOM 1151 N LYS A 73 -15.874 5.189 -24.796 1.00 1.52 N ATOM 1152 CA LYS A 73 -15.338 4.145 -25.686 1.00 1.35 C ATOM 1153 C LYS A 73 -16.374 3.025 -25.858 1.00 1.05 C ATOM 1154 O LYS A 73 -16.888 2.829 -26.959 1.00 1.79 O ATOM 1155 CB LYS A 73 -13.978 3.579 -25.221 1.00 1.94 C ATOM 1156 CG LYS A 73 -12.880 4.647 -25.290 1.00 2.32 C ATOM 1157 CD LYS A 73 -12.427 4.873 -26.736 1.00 2.93 C ATOM 1158 CE LYS A 73 -10.924 5.134 -26.827 1.00 3.52 C ATOM 1159 NZ LYS A 73 -10.136 3.974 -26.326 1.00 3.96 N ATOM 0 H LYS A 73 -16.264 5.984 -25.302 1.00 1.52 H new ATOM 0 HA LYS A 73 -15.146 4.615 -26.650 1.00 1.35 H new ATOM 0 HB2 LYS A 73 -14.065 3.209 -24.199 1.00 1.94 H new ATOM 0 HB3 LYS A 73 -13.702 2.729 -25.845 1.00 1.94 H new ATOM 0 HG2 LYS A 73 -13.250 5.582 -24.870 1.00 2.32 H new ATOM 0 HG3 LYS A 73 -12.029 4.339 -24.682 1.00 2.32 H new ATOM 0 HD2 LYS A 73 -12.681 4.000 -27.337 1.00 2.93 H new ATOM 0 HD3 LYS A 73 -12.969 5.719 -27.158 1.00 2.93 H new ATOM 0 HE2 LYS A 73 -10.652 5.340 -27.862 1.00 3.52 H new ATOM 0 HE3 LYS A 73 -10.673 6.023 -26.248 1.00 3.52 H new ATOM 0 HZ1 LYS A 73 -9.342 4.317 -25.749 1.00 3.96 H new ATOM 0 HZ2 LYS A 73 -10.747 3.363 -25.747 1.00 3.96 H new ATOM 0 HZ3 LYS A 73 -9.768 3.430 -27.132 1.00 3.96 H new ATOM 1173 N HIS A 74 -16.689 2.296 -24.779 1.00 0.67 N ATOM 1174 CA HIS A 74 -17.673 1.200 -24.839 1.00 0.38 C ATOM 1175 C HIS A 74 -18.120 0.771 -23.431 1.00 0.30 C ATOM 1176 O HIS A 74 -17.287 0.597 -22.536 1.00 0.37 O ATOM 1177 CB HIS A 74 -17.060 -0.011 -25.577 1.00 0.64 C ATOM 1178 CG HIS A 74 -17.745 -0.333 -26.875 1.00 0.91 C ATOM 1179 ND1 HIS A 74 -17.185 -0.082 -28.098 1.00 1.30 N ATOM 1180 CD2 HIS A 74 -18.948 -0.899 -27.150 1.00 1.38 C ATOM 1181 CE1 HIS A 74 -17.979 -0.466 -29.068 1.00 1.47 C ATOM 1182 NE2 HIS A 74 -19.073 -0.974 -28.523 1.00 1.53 N ATOM 0 H HIS A 74 -16.280 2.442 -23.856 1.00 0.67 H new ATOM 0 HA HIS A 74 -18.548 1.561 -25.380 1.00 0.38 H new ATOM 0 HB2 HIS A 74 -16.006 0.188 -25.771 1.00 0.64 H new ATOM 0 HB3 HIS A 74 -17.105 -0.884 -24.926 1.00 0.64 H new ATOM 0 HD2 HIS A 74 -19.676 -1.231 -26.425 1.00 1.38 H new ATOM 0 HE1 HIS A 74 -17.776 -0.383 -30.125 1.00 1.47 H new ATOM 0 HE2 HIS A 74 -19.871 -1.355 -29.030 1.00 1.53 H new ATOM 1190 N VAL A 75 -19.435 0.572 -23.258 1.00 0.26 N ATOM 1191 CA VAL A 75 -20.017 0.128 -21.982 1.00 0.23 C ATOM 1192 C VAL A 75 -20.783 -1.183 -22.218 1.00 0.22 C ATOM 1193 O VAL A 75 -21.279 -1.428 -23.321 1.00 0.26 O ATOM 1194 CB VAL A 75 -20.961 1.222 -21.426 1.00 0.25 C ATOM 1195 CG1 VAL A 75 -21.694 0.760 -20.162 1.00 0.28 C ATOM 1196 CG2 VAL A 75 -20.192 2.509 -21.126 1.00 0.31 C ATOM 0 H VAL A 75 -20.124 0.714 -23.997 1.00 0.26 H new ATOM 0 HA VAL A 75 -19.228 -0.044 -21.249 1.00 0.23 H new ATOM 0 HB VAL A 75 -21.703 1.417 -22.200 1.00 0.25 H new ATOM 0 HG11 VAL A 75 -22.345 1.559 -19.807 1.00 0.28 H new ATOM 0 HG12 VAL A 75 -22.293 -0.122 -20.390 1.00 0.28 H new ATOM 0 HG13 VAL A 75 -20.966 0.514 -19.389 1.00 0.28 H new ATOM 0 HG21 VAL A 75 -20.879 3.261 -20.737 1.00 0.31 H new ATOM 0 HG22 VAL A 75 -19.418 2.306 -20.386 1.00 0.31 H new ATOM 0 HG23 VAL A 75 -19.730 2.879 -22.042 1.00 0.31 H new ATOM 1206 N PHE A 76 -20.893 -2.017 -21.185 1.00 0.22 N ATOM 1207 CA PHE A 76 -21.623 -3.285 -21.283 1.00 0.23 C ATOM 1208 C PHE A 76 -22.421 -3.521 -20.004 1.00 0.22 C ATOM 1209 O PHE A 76 -21.965 -3.227 -18.896 1.00 0.27 O ATOM 1210 CB PHE A 76 -20.687 -4.469 -21.610 1.00 0.26 C ATOM 1211 CG PHE A 76 -19.682 -4.840 -20.538 1.00 0.24 C ATOM 1212 CD1 PHE A 76 -20.050 -5.677 -19.495 1.00 0.27 C ATOM 1213 CD2 PHE A 76 -18.401 -4.305 -20.572 1.00 0.26 C ATOM 1214 CE1 PHE A 76 -19.141 -5.989 -18.500 1.00 0.29 C ATOM 1215 CE2 PHE A 76 -17.492 -4.611 -19.569 1.00 0.28 C ATOM 1216 CZ PHE A 76 -17.822 -5.586 -18.618 1.00 0.29 C ATOM 0 H PHE A 76 -20.485 -1.839 -20.267 1.00 0.22 H new ATOM 0 HA PHE A 76 -22.322 -3.217 -22.117 1.00 0.23 H new ATOM 0 HB2 PHE A 76 -21.302 -5.344 -21.822 1.00 0.26 H new ATOM 0 HB3 PHE A 76 -20.142 -4.233 -22.524 1.00 0.26 H new ATOM 0 HD1 PHE A 76 -21.049 -6.086 -19.460 1.00 0.27 H new ATOM 0 HD2 PHE A 76 -18.112 -3.650 -21.380 1.00 0.26 H new ATOM 0 HE1 PHE A 76 -19.460 -6.547 -17.632 1.00 0.29 H new ATOM 0 HE2 PHE A 76 -16.540 -4.103 -19.522 1.00 0.28 H new ATOM 0 HZ PHE A 76 -17.059 -6.016 -17.987 1.00 0.29 H new ATOM 1226 N LYS A 77 -23.629 -4.043 -20.179 1.00 0.23 N ATOM 1227 CA LYS A 77 -24.539 -4.326 -19.076 1.00 0.28 C ATOM 1228 C LYS A 77 -24.299 -5.742 -18.561 1.00 0.31 C ATOM 1229 O LYS A 77 -24.095 -6.669 -19.347 1.00 0.58 O ATOM 1230 CB LYS A 77 -25.988 -4.180 -19.558 1.00 0.36 C ATOM 1231 CG LYS A 77 -26.967 -3.989 -18.390 1.00 1.20 C ATOM 1232 CD LYS A 77 -27.905 -2.789 -18.598 1.00 1.33 C ATOM 1233 CE LYS A 77 -29.288 -3.212 -19.114 1.00 1.76 C ATOM 1234 NZ LYS A 77 -29.234 -3.710 -20.517 1.00 1.95 N ATOM 0 H LYS A 77 -24.007 -4.283 -21.095 1.00 0.23 H new ATOM 0 HA LYS A 77 -24.359 -3.620 -18.265 1.00 0.28 H new ATOM 0 HB2 LYS A 77 -26.061 -3.329 -20.235 1.00 0.36 H new ATOM 0 HB3 LYS A 77 -26.271 -5.065 -20.127 1.00 0.36 H new ATOM 0 HG2 LYS A 77 -27.562 -4.894 -18.267 1.00 1.20 H new ATOM 0 HG3 LYS A 77 -26.404 -3.850 -17.467 1.00 1.20 H new ATOM 0 HD2 LYS A 77 -28.020 -2.253 -17.656 1.00 1.33 H new ATOM 0 HD3 LYS A 77 -27.452 -2.095 -19.306 1.00 1.33 H new ATOM 0 HE2 LYS A 77 -29.693 -3.991 -18.468 1.00 1.76 H new ATOM 0 HE3 LYS A 77 -29.971 -2.364 -19.057 1.00 1.76 H new ATOM 0 HZ1 LYS A 77 -29.826 -3.107 -21.123 1.00 1.95 H new ATOM 0 HZ2 LYS A 77 -28.252 -3.684 -20.857 1.00 1.95 H new ATOM 0 HZ3 LYS A 77 -29.586 -4.688 -20.552 1.00 1.95 H new ATOM 1248 N LEU A 78 -24.330 -5.897 -17.247 1.00 0.23 N ATOM 1249 CA LEU A 78 -24.118 -7.189 -16.601 1.00 0.24 C ATOM 1250 C LEU A 78 -25.229 -7.416 -15.576 1.00 0.29 C ATOM 1251 O LEU A 78 -25.275 -6.753 -14.536 1.00 0.36 O ATOM 1252 CB LEU A 78 -22.727 -7.196 -15.944 1.00 0.30 C ATOM 1253 CG LEU A 78 -22.277 -8.579 -15.463 1.00 0.48 C ATOM 1254 CD1 LEU A 78 -22.996 -9.715 -16.194 1.00 0.30 C ATOM 1255 CD2 LEU A 78 -20.767 -8.731 -15.626 1.00 0.86 C ATOM 0 H LEU A 78 -24.503 -5.132 -16.595 1.00 0.23 H new ATOM 0 HA LEU A 78 -24.154 -8.001 -17.328 1.00 0.24 H new ATOM 0 HB2 LEU A 78 -21.997 -6.814 -16.657 1.00 0.30 H new ATOM 0 HB3 LEU A 78 -22.732 -6.511 -15.096 1.00 0.30 H new ATOM 0 HG LEU A 78 -22.542 -8.651 -14.408 1.00 0.48 H new ATOM 0 HD11 LEU A 78 -22.641 -10.673 -15.816 1.00 0.30 H new ATOM 0 HD12 LEU A 78 -24.070 -9.634 -16.025 1.00 0.30 H new ATOM 0 HD13 LEU A 78 -22.790 -9.648 -17.262 1.00 0.30 H new ATOM 0 HD21 LEU A 78 -20.461 -9.718 -15.280 1.00 0.86 H new ATOM 0 HD22 LEU A 78 -20.501 -8.616 -16.677 1.00 0.86 H new ATOM 0 HD23 LEU A 78 -20.259 -7.967 -15.037 1.00 0.86 H new ATOM 1267 N ARG A 79 -26.134 -8.345 -15.891 1.00 0.31 N ATOM 1268 CA ARG A 79 -27.267 -8.674 -15.028 1.00 0.40 C ATOM 1269 C ARG A 79 -27.066 -10.046 -14.393 1.00 0.45 C ATOM 1270 O ARG A 79 -27.068 -11.071 -15.082 1.00 0.51 O ATOM 1271 CB ARG A 79 -28.551 -8.662 -15.850 1.00 0.50 C ATOM 1272 CG ARG A 79 -28.925 -7.241 -16.275 1.00 1.11 C ATOM 1273 CD ARG A 79 -29.654 -7.244 -17.614 1.00 1.51 C ATOM 1274 NE ARG A 79 -30.802 -8.162 -17.568 1.00 1.91 N ATOM 1275 CZ ARG A 79 -31.212 -8.841 -18.638 1.00 2.46 C ATOM 1276 NH1 ARG A 79 -31.087 -8.310 -19.845 1.00 2.99 N ATOM 1277 NH2 ARG A 79 -31.745 -10.050 -18.498 1.00 2.93 N ATOM 0 H ARG A 79 -26.101 -8.890 -16.753 1.00 0.31 H new ATOM 0 HA ARG A 79 -27.339 -7.931 -14.233 1.00 0.40 H new ATOM 0 HB2 ARG A 79 -28.425 -9.287 -16.734 1.00 0.50 H new ATOM 0 HB3 ARG A 79 -29.363 -9.095 -15.266 1.00 0.50 H new ATOM 0 HG2 ARG A 79 -29.558 -6.785 -15.514 1.00 1.11 H new ATOM 0 HG3 ARG A 79 -28.025 -6.631 -16.349 1.00 1.11 H new ATOM 0 HD2 ARG A 79 -29.995 -6.236 -17.853 1.00 1.51 H new ATOM 0 HD3 ARG A 79 -28.970 -7.545 -18.407 1.00 1.51 H new ATOM 0 HE ARG A 79 -31.301 -8.283 -16.687 1.00 1.91 H new ATOM 0 HH11 ARG A 79 -30.677 -7.382 -19.954 1.00 2.99 H new ATOM 0 HH12 ARG A 79 -31.401 -8.829 -20.665 1.00 2.99 H new ATOM 0 HH21 ARG A 79 -31.841 -10.461 -17.569 1.00 2.93 H new ATOM 0 HH22 ARG A 79 -32.058 -10.568 -19.319 1.00 2.93 H new ATOM 1291 N LEU A 80 -26.897 -10.052 -13.076 1.00 0.54 N ATOM 1292 CA LEU A 80 -26.691 -11.284 -12.313 1.00 0.68 C ATOM 1293 C LEU A 80 -28.036 -11.829 -11.831 1.00 0.84 C ATOM 1294 O LEU A 80 -28.906 -11.066 -11.393 1.00 1.06 O ATOM 1295 CB LEU A 80 -25.765 -11.012 -11.123 1.00 0.82 C ATOM 1296 CG LEU A 80 -24.463 -10.331 -11.565 1.00 0.82 C ATOM 1297 CD1 LEU A 80 -23.582 -10.044 -10.356 1.00 1.06 C ATOM 1298 CD2 LEU A 80 -23.710 -11.195 -12.576 1.00 1.26 C ATOM 0 H LEU A 80 -26.898 -9.207 -12.505 1.00 0.54 H new ATOM 0 HA LEU A 80 -26.223 -12.030 -12.955 1.00 0.68 H new ATOM 0 HB2 LEU A 80 -26.279 -10.380 -10.398 1.00 0.82 H new ATOM 0 HB3 LEU A 80 -25.533 -11.951 -10.620 1.00 0.82 H new ATOM 0 HG LEU A 80 -24.719 -9.388 -12.048 1.00 0.82 H new ATOM 0 HD11 LEU A 80 -22.661 -9.561 -10.683 1.00 1.06 H new ATOM 0 HD12 LEU A 80 -24.112 -9.386 -9.667 1.00 1.06 H new ATOM 0 HD13 LEU A 80 -23.341 -10.979 -9.851 1.00 1.06 H new ATOM 0 HD21 LEU A 80 -22.791 -10.690 -12.873 1.00 1.26 H new ATOM 0 HD22 LEU A 80 -23.466 -12.156 -12.123 1.00 1.26 H new ATOM 0 HD23 LEU A 80 -24.336 -11.356 -13.454 1.00 1.26 H new ATOM 1310 N SER A 81 -28.196 -13.151 -11.917 1.00 1.01 N ATOM 1311 CA SER A 81 -29.434 -13.838 -11.506 1.00 1.23 C ATOM 1312 C SER A 81 -29.674 -13.744 -9.991 1.00 1.40 C ATOM 1313 O SER A 81 -30.790 -13.964 -9.524 1.00 1.92 O ATOM 1314 CB SER A 81 -29.388 -15.310 -11.953 1.00 1.52 C ATOM 1315 OG SER A 81 -28.046 -15.773 -12.059 1.00 2.18 O ATOM 0 H SER A 81 -27.476 -13.780 -12.272 1.00 1.01 H new ATOM 0 HA SER A 81 -30.269 -13.335 -11.994 1.00 1.23 H new ATOM 0 HB2 SER A 81 -29.933 -15.927 -11.239 1.00 1.52 H new ATOM 0 HB3 SER A 81 -29.890 -15.417 -12.915 1.00 1.52 H new ATOM 0 HG SER A 81 -27.713 -15.607 -12.966 1.00 2.18 H new ATOM 1321 N ASP A 82 -28.629 -13.400 -9.233 1.00 1.33 N ATOM 1322 CA ASP A 82 -28.724 -13.252 -7.771 1.00 1.76 C ATOM 1323 C ASP A 82 -29.653 -12.080 -7.410 1.00 1.31 C ATOM 1324 O ASP A 82 -30.292 -12.081 -6.357 1.00 1.74 O ATOM 1325 CB ASP A 82 -27.323 -13.015 -7.180 1.00 2.76 C ATOM 1326 CG ASP A 82 -27.376 -12.917 -5.654 1.00 3.46 C ATOM 1327 OD1 ASP A 82 -27.771 -13.904 -4.999 1.00 3.77 O ATOM 1328 OD2 ASP A 82 -27.025 -11.851 -5.106 1.00 3.98 O ATOM 0 H ASP A 82 -27.698 -13.217 -9.608 1.00 1.33 H new ATOM 0 HA ASP A 82 -29.141 -14.167 -7.351 1.00 1.76 H new ATOM 0 HB2 ASP A 82 -26.660 -13.829 -7.472 1.00 2.76 H new ATOM 0 HB3 ASP A 82 -26.902 -12.098 -7.592 1.00 2.76 H new ATOM 1333 N GLY A 83 -29.712 -11.090 -8.300 1.00 1.09 N ATOM 1334 CA GLY A 83 -30.542 -9.902 -8.114 1.00 1.53 C ATOM 1335 C GLY A 83 -29.665 -8.660 -7.998 1.00 1.31 C ATOM 1336 O GLY A 83 -29.769 -7.912 -7.004 1.00 1.88 O ATOM 0 H GLY A 83 -29.184 -11.090 -9.173 1.00 1.09 H new ATOM 0 HA2 GLY A 83 -31.229 -9.794 -8.954 1.00 1.53 H new ATOM 0 HA3 GLY A 83 -31.151 -10.012 -7.216 1.00 1.53 H new ATOM 1340 N ASN A 84 -28.808 -8.447 -9.025 1.00 0.93 N ATOM 1341 CA ASN A 84 -27.899 -7.297 -9.076 1.00 0.71 C ATOM 1342 C ASN A 84 -27.729 -6.882 -10.535 1.00 0.62 C ATOM 1343 O ASN A 84 -27.701 -7.742 -11.425 1.00 0.65 O ATOM 1344 CB ASN A 84 -26.528 -7.658 -8.467 1.00 0.84 C ATOM 1345 CG ASN A 84 -26.565 -7.629 -6.935 1.00 1.02 C ATOM 1346 OD1 ASN A 84 -27.307 -6.860 -6.331 1.00 1.73 O ATOM 1347 ND2 ASN A 84 -25.761 -8.465 -6.300 1.00 1.32 N ATOM 0 H ASN A 84 -28.734 -9.067 -9.831 1.00 0.93 H new ATOM 0 HA ASN A 84 -28.318 -6.475 -8.496 1.00 0.71 H new ATOM 0 HB2 ASN A 84 -26.229 -8.650 -8.805 1.00 0.84 H new ATOM 0 HB3 ASN A 84 -25.774 -6.958 -8.826 1.00 0.84 H new ATOM 0 HD21 ASN A 84 -25.746 -8.483 -5.280 1.00 1.32 H new ATOM 0 HD22 ASN A 84 -25.156 -9.092 -6.830 1.00 1.32 H new ATOM 1354 N GLU A 85 -27.625 -5.570 -10.775 1.00 0.59 N ATOM 1355 CA GLU A 85 -27.466 -5.016 -12.129 1.00 0.55 C ATOM 1356 C GLU A 85 -26.324 -3.993 -12.135 1.00 0.47 C ATOM 1357 O GLU A 85 -26.379 -2.991 -11.411 1.00 0.60 O ATOM 1358 CB GLU A 85 -28.770 -4.340 -12.565 1.00 0.70 C ATOM 1359 CG GLU A 85 -29.876 -5.366 -12.801 1.00 1.16 C ATOM 1360 CD GLU A 85 -31.163 -4.662 -13.210 1.00 1.18 C ATOM 1361 OE1 GLU A 85 -31.343 -4.380 -14.411 1.00 1.43 O ATOM 1362 OE2 GLU A 85 -32.011 -4.403 -12.336 1.00 1.39 O ATOM 0 H GLU A 85 -27.648 -4.863 -10.041 1.00 0.59 H new ATOM 0 HA GLU A 85 -27.230 -5.822 -12.824 1.00 0.55 H new ATOM 0 HB2 GLU A 85 -29.087 -3.630 -11.801 1.00 0.70 H new ATOM 0 HB3 GLU A 85 -28.599 -3.770 -13.478 1.00 0.70 H new ATOM 0 HG2 GLU A 85 -29.573 -6.067 -13.579 1.00 1.16 H new ATOM 0 HG3 GLU A 85 -30.043 -5.948 -11.895 1.00 1.16 H new ATOM 1369 N TYR A 86 -25.295 -4.247 -12.945 1.00 0.33 N ATOM 1370 CA TYR A 86 -24.132 -3.352 -13.038 1.00 0.31 C ATOM 1371 C TYR A 86 -23.827 -2.965 -14.485 1.00 0.29 C ATOM 1372 O TYR A 86 -23.969 -3.777 -15.404 1.00 0.40 O ATOM 1373 CB TYR A 86 -22.879 -4.037 -12.461 1.00 0.37 C ATOM 1374 CG TYR A 86 -23.042 -4.604 -11.066 1.00 0.41 C ATOM 1375 CD1 TYR A 86 -23.441 -3.782 -10.024 1.00 0.57 C ATOM 1376 CD2 TYR A 86 -22.820 -5.948 -10.831 1.00 0.53 C ATOM 1377 CE1 TYR A 86 -23.619 -4.308 -8.756 1.00 0.67 C ATOM 1378 CE2 TYR A 86 -22.991 -6.469 -9.562 1.00 0.62 C ATOM 1379 CZ TYR A 86 -23.285 -5.631 -8.509 1.00 0.63 C ATOM 1380 OH TYR A 86 -23.577 -6.170 -7.269 1.00 0.77 O ATOM 0 H TYR A 86 -25.240 -5.067 -13.549 1.00 0.33 H new ATOM 0 HA TYR A 86 -24.381 -2.456 -12.469 1.00 0.31 H new ATOM 0 HB2 TYR A 86 -22.583 -4.843 -13.132 1.00 0.37 H new ATOM 0 HB3 TYR A 86 -22.062 -3.316 -12.450 1.00 0.37 H new ATOM 0 HD1 TYR A 86 -23.613 -2.731 -10.201 1.00 0.57 H new ATOM 0 HD2 TYR A 86 -22.512 -6.593 -11.641 1.00 0.53 H new ATOM 0 HE1 TYR A 86 -24.016 -3.691 -7.963 1.00 0.67 H new ATOM 0 HE2 TYR A 86 -22.894 -7.532 -9.396 1.00 0.62 H new ATOM 0 HH TYR A 86 -23.420 -5.497 -6.574 1.00 0.77 H new ATOM 1390 N LEU A 87 -23.341 -1.734 -14.659 1.00 0.24 N ATOM 1391 CA LEU A 87 -22.918 -1.213 -15.958 1.00 0.23 C ATOM 1392 C LEU A 87 -21.397 -1.134 -15.917 1.00 0.22 C ATOM 1393 O LEU A 87 -20.840 -0.379 -15.110 1.00 0.32 O ATOM 1394 CB LEU A 87 -23.491 0.190 -16.227 1.00 0.26 C ATOM 1395 CG LEU A 87 -25.016 0.244 -16.143 1.00 0.34 C ATOM 1396 CD1 LEU A 87 -25.519 1.613 -16.608 1.00 0.35 C ATOM 1397 CD2 LEU A 87 -25.657 -0.860 -16.981 1.00 0.38 C ATOM 0 H LEU A 87 -23.230 -1.067 -13.896 1.00 0.24 H new ATOM 0 HA LEU A 87 -23.280 -1.865 -16.753 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -23.069 0.892 -15.508 1.00 0.26 H new ATOM 0 HB3 LEU A 87 -23.176 0.520 -17.217 1.00 0.26 H new ATOM 0 HG LEU A 87 -25.302 0.088 -15.103 1.00 0.34 H new ATOM 0 HD11 LEU A 87 -26.607 1.642 -16.545 1.00 0.35 H new ATOM 0 HD12 LEU A 87 -25.098 2.391 -15.971 1.00 0.35 H new ATOM 0 HD13 LEU A 87 -25.211 1.782 -17.640 1.00 0.35 H new ATOM 0 HD21 LEU A 87 -26.742 -0.795 -16.900 1.00 0.38 H new ATOM 0 HD22 LEU A 87 -25.363 -0.742 -18.024 1.00 0.38 H new ATOM 0 HD23 LEU A 87 -25.324 -1.832 -16.618 1.00 0.38 H new ATOM 1409 N PHE A 88 -20.728 -1.926 -16.743 1.00 0.18 N ATOM 1410 CA PHE A 88 -19.269 -1.964 -16.772 1.00 0.19 C ATOM 1411 C PHE A 88 -18.733 -1.237 -18.006 1.00 0.20 C ATOM 1412 O PHE A 88 -19.208 -1.453 -19.121 1.00 0.27 O ATOM 1413 CB PHE A 88 -18.796 -3.416 -16.765 1.00 0.20 C ATOM 1414 CG PHE A 88 -18.856 -4.059 -15.394 1.00 0.20 C ATOM 1415 CD1 PHE A 88 -17.928 -3.712 -14.422 1.00 0.21 C ATOM 1416 CD2 PHE A 88 -19.837 -4.997 -15.099 1.00 0.24 C ATOM 1417 CE1 PHE A 88 -17.972 -4.302 -13.171 1.00 0.22 C ATOM 1418 CE2 PHE A 88 -19.881 -5.585 -13.843 1.00 0.25 C ATOM 1419 CZ PHE A 88 -18.954 -5.236 -12.880 1.00 0.22 C ATOM 0 H PHE A 88 -21.175 -2.557 -17.408 1.00 0.18 H new ATOM 0 HA PHE A 88 -18.885 -1.456 -15.887 1.00 0.19 H new ATOM 0 HB2 PHE A 88 -19.409 -3.994 -17.457 1.00 0.20 H new ATOM 0 HB3 PHE A 88 -17.771 -3.459 -17.134 1.00 0.20 H new ATOM 0 HD1 PHE A 88 -17.168 -2.978 -14.643 1.00 0.21 H new ATOM 0 HD2 PHE A 88 -20.566 -5.269 -15.848 1.00 0.24 H new ATOM 0 HE1 PHE A 88 -17.242 -4.035 -12.422 1.00 0.22 H new ATOM 0 HE2 PHE A 88 -20.642 -6.317 -13.618 1.00 0.25 H new ATOM 0 HZ PHE A 88 -18.994 -5.691 -11.901 1.00 0.22 H new ATOM 1429 N GLN A 89 -17.736 -0.383 -17.792 1.00 0.23 N ATOM 1430 CA GLN A 89 -17.099 0.390 -18.865 1.00 0.26 C ATOM 1431 C GLN A 89 -15.661 -0.098 -19.062 1.00 0.22 C ATOM 1432 O GLN A 89 -14.881 -0.155 -18.101 1.00 0.25 O ATOM 1433 CB GLN A 89 -17.112 1.876 -18.495 1.00 0.32 C ATOM 1434 CG GLN A 89 -16.600 2.770 -19.633 1.00 0.52 C ATOM 1435 CD GLN A 89 -15.868 3.980 -19.058 1.00 0.75 C ATOM 1436 OE1 GLN A 89 -14.644 3.977 -18.937 1.00 1.34 O ATOM 1437 NE2 GLN A 89 -16.615 5.010 -18.695 1.00 1.63 N ATOM 0 H GLN A 89 -17.343 -0.204 -16.868 1.00 0.23 H new ATOM 0 HA GLN A 89 -17.647 0.252 -19.797 1.00 0.26 H new ATOM 0 HB2 GLN A 89 -18.128 2.173 -18.233 1.00 0.32 H new ATOM 0 HB3 GLN A 89 -16.496 2.032 -17.610 1.00 0.32 H new ATOM 0 HG2 GLN A 89 -15.930 2.203 -20.279 1.00 0.52 H new ATOM 0 HG3 GLN A 89 -17.435 3.100 -20.251 1.00 0.52 H new ATOM 0 HE21 GLN A 89 -17.628 4.972 -18.812 1.00 1.63 H new ATOM 0 HE22 GLN A 89 -16.178 5.842 -18.298 1.00 1.63 H new ATOM 1446 N ALA A 90 -15.324 -0.437 -20.310 1.00 0.22 N ATOM 1447 CA ALA A 90 -13.983 -0.921 -20.679 1.00 0.24 C ATOM 1448 C ALA A 90 -13.200 0.180 -21.405 1.00 0.27 C ATOM 1449 O ALA A 90 -13.746 1.244 -21.720 1.00 0.32 O ATOM 1450 CB ALA A 90 -14.118 -2.155 -21.578 1.00 0.29 C ATOM 0 H ALA A 90 -15.971 -0.385 -21.096 1.00 0.22 H new ATOM 0 HA ALA A 90 -13.438 -1.191 -19.775 1.00 0.24 H new ATOM 0 HB1 ALA A 90 -13.127 -2.515 -21.853 1.00 0.29 H new ATOM 0 HB2 ALA A 90 -14.653 -2.939 -21.042 1.00 0.29 H new ATOM 0 HB3 ALA A 90 -14.670 -1.890 -22.480 1.00 0.29 H new ATOM 1456 N LYS A 91 -11.913 -0.074 -21.669 1.00 0.35 N ATOM 1457 CA LYS A 91 -11.051 0.900 -22.357 1.00 0.44 C ATOM 1458 C LYS A 91 -11.309 0.904 -23.868 1.00 0.49 C ATOM 1459 O LYS A 91 -11.255 1.957 -24.510 1.00 0.68 O ATOM 1460 CB LYS A 91 -9.571 0.609 -22.061 1.00 0.65 C ATOM 1461 CG LYS A 91 -9.052 -0.628 -22.804 1.00 1.26 C ATOM 1462 CD LYS A 91 -7.723 -1.099 -22.213 1.00 1.43 C ATOM 1463 CE LYS A 91 -7.177 -2.337 -22.943 1.00 1.86 C ATOM 1464 NZ LYS A 91 -7.137 -3.534 -22.054 1.00 2.29 N ATOM 0 H LYS A 91 -11.444 -0.944 -21.418 1.00 0.35 H new ATOM 0 HA LYS A 91 -11.295 1.892 -21.976 1.00 0.44 H new ATOM 0 HB2 LYS A 91 -8.971 1.475 -22.342 1.00 0.65 H new ATOM 0 HB3 LYS A 91 -9.440 0.465 -20.988 1.00 0.65 H new ATOM 0 HG2 LYS A 91 -9.787 -1.430 -22.742 1.00 1.26 H new ATOM 0 HG3 LYS A 91 -8.923 -0.395 -23.861 1.00 1.26 H new ATOM 0 HD2 LYS A 91 -6.993 -0.292 -22.272 1.00 1.43 H new ATOM 0 HD3 LYS A 91 -7.857 -1.331 -21.156 1.00 1.43 H new ATOM 0 HE2 LYS A 91 -7.800 -2.550 -23.812 1.00 1.86 H new ATOM 0 HE3 LYS A 91 -6.174 -2.127 -23.314 1.00 1.86 H new ATOM 0 HZ1 LYS A 91 -6.150 -3.834 -21.920 1.00 2.29 H new ATOM 0 HZ2 LYS A 91 -7.555 -3.296 -21.132 1.00 2.29 H new ATOM 0 HZ3 LYS A 91 -7.678 -4.308 -22.490 1.00 2.29 H new ATOM 1478 N ASP A 92 -11.590 -0.270 -24.437 1.00 0.49 N ATOM 1479 CA ASP A 92 -11.867 -0.378 -25.879 1.00 0.66 C ATOM 1480 C ASP A 92 -12.717 -1.611 -26.195 1.00 0.59 C ATOM 1481 O ASP A 92 -13.136 -2.349 -25.294 1.00 0.75 O ATOM 1482 CB ASP A 92 -10.555 -0.399 -26.694 1.00 0.84 C ATOM 1483 CG ASP A 92 -10.595 0.668 -27.785 1.00 1.34 C ATOM 1484 OD1 ASP A 92 -11.527 0.637 -28.616 1.00 1.77 O ATOM 1485 OD2 ASP A 92 -9.707 1.545 -27.800 1.00 2.01 O ATOM 0 H ASP A 92 -11.633 -1.154 -23.931 1.00 0.49 H new ATOM 0 HA ASP A 92 -12.437 0.504 -26.169 1.00 0.66 H new ATOM 0 HB2 ASP A 92 -9.706 -0.223 -26.034 1.00 0.84 H new ATOM 0 HB3 ASP A 92 -10.412 -1.382 -27.142 1.00 0.84 H new ATOM 1490 N ASP A 93 -12.981 -1.811 -27.491 1.00 0.62 N ATOM 1491 CA ASP A 93 -13.810 -2.928 -27.985 1.00 0.63 C ATOM 1492 C ASP A 93 -13.204 -4.307 -27.676 1.00 0.49 C ATOM 1493 O ASP A 93 -13.935 -5.244 -27.347 1.00 0.54 O ATOM 1494 CB ASP A 93 -14.060 -2.782 -29.502 1.00 0.83 C ATOM 1495 CG ASP A 93 -12.770 -2.914 -30.317 1.00 1.55 C ATOM 1496 OD1 ASP A 93 -11.910 -2.013 -30.231 1.00 2.21 O ATOM 1497 OD2 ASP A 93 -12.620 -3.915 -31.045 1.00 2.13 O ATOM 0 H ASP A 93 -12.628 -1.205 -28.232 1.00 0.62 H new ATOM 0 HA ASP A 93 -14.759 -2.874 -27.451 1.00 0.63 H new ATOM 0 HB2 ASP A 93 -14.772 -3.542 -29.826 1.00 0.83 H new ATOM 0 HB3 ASP A 93 -14.516 -1.812 -29.702 1.00 0.83 H new ATOM 1502 N GLU A 94 -11.877 -4.436 -27.785 1.00 0.41 N ATOM 1503 CA GLU A 94 -11.192 -5.717 -27.523 1.00 0.41 C ATOM 1504 C GLU A 94 -11.410 -6.157 -26.075 1.00 0.36 C ATOM 1505 O GLU A 94 -11.821 -7.287 -25.810 1.00 0.41 O ATOM 1506 CB GLU A 94 -9.686 -5.608 -27.791 1.00 0.49 C ATOM 1507 CG GLU A 94 -9.364 -5.011 -29.166 1.00 1.21 C ATOM 1508 CD GLU A 94 -7.955 -4.439 -29.155 1.00 1.93 C ATOM 1509 OE1 GLU A 94 -7.740 -3.377 -28.543 1.00 2.43 O ATOM 1510 OE2 GLU A 94 -7.061 -5.043 -29.784 1.00 2.59 O ATOM 0 H GLU A 94 -11.253 -3.674 -28.052 1.00 0.41 H new ATOM 0 HA GLU A 94 -11.619 -6.457 -28.199 1.00 0.41 H new ATOM 0 HB2 GLU A 94 -9.229 -4.992 -27.017 1.00 0.49 H new ATOM 0 HB3 GLU A 94 -9.237 -6.598 -27.717 1.00 0.49 H new ATOM 0 HG2 GLU A 94 -9.450 -5.778 -29.936 1.00 1.21 H new ATOM 0 HG3 GLU A 94 -10.083 -4.230 -29.412 1.00 1.21 H new ATOM 1517 N GLU A 95 -11.141 -5.240 -25.145 1.00 0.31 N ATOM 1518 CA GLU A 95 -11.306 -5.490 -23.710 1.00 0.29 C ATOM 1519 C GLU A 95 -12.772 -5.821 -23.385 1.00 0.24 C ATOM 1520 O GLU A 95 -13.054 -6.780 -22.669 1.00 0.23 O ATOM 1521 CB GLU A 95 -10.859 -4.256 -22.927 1.00 0.33 C ATOM 1522 CG GLU A 95 -10.338 -4.622 -21.538 1.00 0.42 C ATOM 1523 CD GLU A 95 -10.054 -3.357 -20.738 1.00 0.84 C ATOM 1524 OE1 GLU A 95 -10.909 -2.451 -20.730 1.00 1.21 O ATOM 1525 OE2 GLU A 95 -8.987 -3.284 -20.094 1.00 1.30 O ATOM 0 H GLU A 95 -10.803 -4.303 -25.364 1.00 0.31 H new ATOM 0 HA GLU A 95 -10.692 -6.344 -23.424 1.00 0.29 H new ATOM 0 HB2 GLU A 95 -10.078 -3.736 -23.483 1.00 0.33 H new ATOM 0 HB3 GLU A 95 -11.696 -3.564 -22.830 1.00 0.33 H new ATOM 0 HG2 GLU A 95 -11.072 -5.236 -21.015 1.00 0.42 H new ATOM 0 HG3 GLU A 95 -9.430 -5.218 -21.627 1.00 0.42 H new ATOM 1532 N MET A 96 -13.690 -5.022 -23.942 1.00 0.24 N ATOM 1533 CA MET A 96 -15.137 -5.206 -23.748 1.00 0.22 C ATOM 1534 C MET A 96 -15.564 -6.619 -24.172 1.00 0.22 C ATOM 1535 O MET A 96 -16.227 -7.334 -23.417 1.00 0.23 O ATOM 1536 CB MET A 96 -15.899 -4.148 -24.568 1.00 0.26 C ATOM 1537 CG MET A 96 -17.412 -4.397 -24.585 1.00 0.39 C ATOM 1538 SD MET A 96 -17.956 -5.287 -26.061 1.00 0.94 S ATOM 1539 CE MET A 96 -17.833 -4.007 -27.323 1.00 0.77 C ATOM 0 H MET A 96 -13.453 -4.230 -24.540 1.00 0.24 H new ATOM 0 HA MET A 96 -15.374 -5.084 -22.691 1.00 0.22 H new ATOM 0 HB2 MET A 96 -15.701 -3.160 -24.153 1.00 0.26 H new ATOM 0 HB3 MET A 96 -15.523 -4.145 -25.591 1.00 0.26 H new ATOM 0 HG2 MET A 96 -17.692 -4.966 -23.699 1.00 0.39 H new ATOM 0 HG3 MET A 96 -17.934 -3.442 -24.529 1.00 0.39 H new ATOM 0 HE1 MET A 96 -18.833 -3.676 -27.604 1.00 0.77 H new ATOM 0 HE2 MET A 96 -17.268 -3.162 -26.930 1.00 0.77 H new ATOM 0 HE3 MET A 96 -17.324 -4.408 -28.199 1.00 0.77 H new ATOM 1549 N ASN A 97 -15.162 -7.011 -25.381 1.00 0.25 N ATOM 1550 CA ASN A 97 -15.479 -8.333 -25.942 1.00 0.28 C ATOM 1551 C ASN A 97 -14.882 -9.458 -25.078 1.00 0.26 C ATOM 1552 O ASN A 97 -15.538 -10.468 -24.817 1.00 0.29 O ATOM 1553 CB ASN A 97 -14.937 -8.402 -27.382 1.00 0.35 C ATOM 1554 CG ASN A 97 -15.687 -9.435 -28.224 1.00 0.49 C ATOM 1555 OD1 ASN A 97 -16.163 -10.450 -27.717 1.00 1.05 O ATOM 1556 ND2 ASN A 97 -15.788 -9.175 -29.517 1.00 1.24 N ATOM 0 H ASN A 97 -14.607 -6.423 -26.003 1.00 0.25 H new ATOM 0 HA ASN A 97 -16.560 -8.472 -25.951 1.00 0.28 H new ATOM 0 HB2 ASN A 97 -15.023 -7.421 -27.850 1.00 0.35 H new ATOM 0 HB3 ASN A 97 -13.877 -8.653 -27.359 1.00 0.35 H new ATOM 0 HD21 ASN A 97 -16.274 -9.827 -30.132 1.00 1.24 H new ATOM 0 HD22 ASN A 97 -15.380 -8.322 -29.899 1.00 1.24 H new ATOM 1563 N THR A 98 -13.641 -9.266 -24.625 1.00 0.25 N ATOM 1564 CA THR A 98 -12.950 -10.254 -23.780 1.00 0.27 C ATOM 1565 C THR A 98 -13.655 -10.400 -22.420 1.00 0.23 C ATOM 1566 O THR A 98 -13.802 -11.513 -21.905 1.00 0.27 O ATOM 1567 CB THR A 98 -11.481 -9.840 -23.587 1.00 0.31 C ATOM 1568 OG1 THR A 98 -10.887 -9.570 -24.853 1.00 0.38 O ATOM 1569 CG2 THR A 98 -10.685 -10.934 -22.860 1.00 0.39 C ATOM 0 H THR A 98 -13.089 -8.433 -24.828 1.00 0.25 H new ATOM 0 HA THR A 98 -12.981 -11.223 -24.279 1.00 0.27 H new ATOM 0 HB THR A 98 -11.459 -8.940 -22.972 1.00 0.31 H new ATOM 0 HG1 THR A 98 -11.162 -8.681 -25.161 1.00 0.38 H new ATOM 0 HG21 THR A 98 -9.651 -10.612 -22.739 1.00 0.39 H new ATOM 0 HG22 THR A 98 -11.126 -11.114 -21.880 1.00 0.39 H new ATOM 0 HG23 THR A 98 -10.712 -11.853 -23.445 1.00 0.39 H new ATOM 1577 N TRP A 99 -14.101 -9.276 -21.851 1.00 0.20 N ATOM 1578 CA TRP A 99 -14.804 -9.275 -20.561 1.00 0.20 C ATOM 1579 C TRP A 99 -16.158 -9.985 -20.694 1.00 0.21 C ATOM 1580 O TRP A 99 -16.479 -10.871 -19.900 1.00 0.24 O ATOM 1581 CB TRP A 99 -15.001 -7.830 -20.062 1.00 0.21 C ATOM 1582 CG TRP A 99 -13.838 -7.319 -19.252 1.00 0.22 C ATOM 1583 CD1 TRP A 99 -13.037 -6.241 -19.531 1.00 0.26 C ATOM 1584 CD2 TRP A 99 -13.346 -7.874 -18.009 1.00 0.22 C ATOM 1585 NE1 TRP A 99 -12.098 -6.126 -18.543 1.00 0.28 N ATOM 1586 CE2 TRP A 99 -12.256 -7.093 -17.603 1.00 0.26 C ATOM 1587 CE3 TRP A 99 -13.725 -8.949 -17.203 1.00 0.23 C ATOM 1588 CZ2 TRP A 99 -11.550 -7.360 -16.443 1.00 0.28 C ATOM 1589 CZ3 TRP A 99 -13.022 -9.221 -16.038 1.00 0.26 C ATOM 1590 CH2 TRP A 99 -11.945 -8.431 -15.660 1.00 0.29 C ATOM 0 H TRP A 99 -13.988 -8.350 -22.264 1.00 0.20 H new ATOM 0 HA TRP A 99 -14.199 -9.814 -19.832 1.00 0.20 H new ATOM 0 HB2 TRP A 99 -15.155 -7.174 -20.919 1.00 0.21 H new ATOM 0 HB3 TRP A 99 -15.906 -7.781 -19.457 1.00 0.21 H new ATOM 0 HD1 TRP A 99 -13.132 -5.591 -20.388 1.00 0.26 H new ATOM 0 HE1 TRP A 99 -11.374 -5.408 -18.516 1.00 0.28 H new ATOM 0 HE3 TRP A 99 -14.564 -9.568 -17.486 1.00 0.23 H new ATOM 0 HZ2 TRP A 99 -10.709 -6.746 -16.155 1.00 0.28 H new ATOM 0 HZ3 TRP A 99 -13.316 -10.056 -15.419 1.00 0.26 H new ATOM 0 HH2 TRP A 99 -11.411 -8.654 -14.748 1.00 0.29 H new ATOM 1601 N ILE A 100 -16.933 -9.604 -21.713 1.00 0.21 N ATOM 1602 CA ILE A 100 -18.249 -10.203 -21.973 1.00 0.24 C ATOM 1603 C ILE A 100 -18.127 -11.726 -22.170 1.00 0.28 C ATOM 1604 O ILE A 100 -18.948 -12.492 -21.664 1.00 0.34 O ATOM 1605 CB ILE A 100 -18.881 -9.542 -23.210 1.00 0.25 C ATOM 1606 CG1 ILE A 100 -19.295 -8.099 -22.888 1.00 0.25 C ATOM 1607 CG2 ILE A 100 -20.088 -10.338 -23.722 1.00 0.30 C ATOM 1608 CD1 ILE A 100 -19.677 -7.329 -24.152 1.00 0.29 C ATOM 0 H ILE A 100 -16.670 -8.877 -22.378 1.00 0.21 H new ATOM 0 HA ILE A 100 -18.893 -10.030 -21.111 1.00 0.24 H new ATOM 0 HB ILE A 100 -18.130 -9.532 -24.000 1.00 0.25 H new ATOM 0 HG12 ILE A 100 -20.138 -8.107 -22.197 1.00 0.25 H new ATOM 0 HG13 ILE A 100 -18.475 -7.588 -22.384 1.00 0.25 H new ATOM 0 HG21 ILE A 100 -20.508 -9.840 -24.596 1.00 0.30 H new ATOM 0 HG22 ILE A 100 -19.771 -11.345 -23.995 1.00 0.30 H new ATOM 0 HG23 ILE A 100 -20.844 -10.396 -22.939 1.00 0.30 H new ATOM 0 HD11 ILE A 100 -19.964 -6.312 -23.886 1.00 0.29 H new ATOM 0 HD12 ILE A 100 -18.825 -7.299 -24.831 1.00 0.29 H new ATOM 0 HD13 ILE A 100 -20.514 -7.826 -24.642 1.00 0.29 H new ATOM 1620 N GLN A 101 -17.088 -12.156 -22.896 1.00 0.29 N ATOM 1621 CA GLN A 101 -16.839 -13.582 -23.157 1.00 0.35 C ATOM 1622 C GLN A 101 -16.582 -14.345 -21.851 1.00 0.36 C ATOM 1623 O GLN A 101 -17.164 -15.409 -21.618 1.00 0.43 O ATOM 1624 CB GLN A 101 -15.634 -13.743 -24.093 1.00 0.40 C ATOM 1625 CG GLN A 101 -16.030 -13.566 -25.559 1.00 0.48 C ATOM 1626 CD GLN A 101 -14.791 -13.675 -26.448 1.00 1.05 C ATOM 1627 OE1 GLN A 101 -14.073 -14.675 -26.401 1.00 1.81 O ATOM 1628 NE2 GLN A 101 -14.529 -12.654 -27.245 1.00 1.76 N ATOM 0 H GLN A 101 -16.400 -11.532 -23.317 1.00 0.29 H new ATOM 0 HA GLN A 101 -17.728 -13.998 -23.632 1.00 0.35 H new ATOM 0 HB2 GLN A 101 -14.870 -13.011 -23.832 1.00 0.40 H new ATOM 0 HB3 GLN A 101 -15.193 -14.730 -23.952 1.00 0.40 H new ATOM 0 HG2 GLN A 101 -16.760 -14.325 -25.842 1.00 0.48 H new ATOM 0 HG3 GLN A 101 -16.507 -12.596 -25.702 1.00 0.48 H new ATOM 0 HE21 GLN A 101 -15.148 -11.843 -27.255 1.00 1.76 H new ATOM 0 HE22 GLN A 101 -13.708 -12.677 -27.850 1.00 1.76 H new ATOM 1637 N ALA A 102 -15.716 -13.789 -20.999 1.00 0.32 N ATOM 1638 CA ALA A 102 -15.379 -14.405 -19.706 1.00 0.37 C ATOM 1639 C ALA A 102 -16.621 -14.492 -18.815 1.00 0.38 C ATOM 1640 O ALA A 102 -16.895 -15.521 -18.206 1.00 0.48 O ATOM 1641 CB ALA A 102 -14.279 -13.596 -19.006 1.00 0.38 C ATOM 0 H ALA A 102 -15.232 -12.910 -21.180 1.00 0.32 H new ATOM 0 HA ALA A 102 -15.012 -15.415 -19.887 1.00 0.37 H new ATOM 0 HB1 ALA A 102 -14.038 -14.061 -18.050 1.00 0.38 H new ATOM 0 HB2 ALA A 102 -13.388 -13.574 -19.634 1.00 0.38 H new ATOM 0 HB3 ALA A 102 -14.629 -12.578 -18.836 1.00 0.38 H new ATOM 1647 N ILE A 103 -17.385 -13.409 -18.761 1.00 0.33 N ATOM 1648 CA ILE A 103 -18.611 -13.361 -17.962 1.00 0.38 C ATOM 1649 C ILE A 103 -19.662 -14.337 -18.516 1.00 0.47 C ATOM 1650 O ILE A 103 -20.466 -14.883 -17.758 1.00 0.55 O ATOM 1651 CB ILE A 103 -19.145 -11.920 -17.949 1.00 0.37 C ATOM 1652 CG1 ILE A 103 -18.254 -11.035 -17.064 1.00 0.35 C ATOM 1653 CG2 ILE A 103 -20.597 -11.854 -17.468 1.00 0.49 C ATOM 1654 CD1 ILE A 103 -18.227 -9.582 -17.542 1.00 0.35 C ATOM 0 H ILE A 103 -17.179 -12.545 -19.263 1.00 0.33 H new ATOM 0 HA ILE A 103 -18.390 -13.669 -16.940 1.00 0.38 H new ATOM 0 HB ILE A 103 -19.121 -11.550 -18.974 1.00 0.37 H new ATOM 0 HG12 ILE A 103 -18.615 -11.071 -16.036 1.00 0.35 H new ATOM 0 HG13 ILE A 103 -17.239 -11.433 -17.059 1.00 0.35 H new ATOM 0 HG21 ILE A 103 -20.936 -10.818 -17.474 1.00 0.49 H new ATOM 0 HG22 ILE A 103 -21.227 -12.446 -18.132 1.00 0.49 H new ATOM 0 HG23 ILE A 103 -20.663 -12.252 -16.455 1.00 0.49 H new ATOM 0 HD11 ILE A 103 -17.585 -8.995 -16.886 1.00 0.35 H new ATOM 0 HD12 ILE A 103 -17.840 -9.541 -18.560 1.00 0.35 H new ATOM 0 HD13 ILE A 103 -19.237 -9.173 -17.521 1.00 0.35 H new ATOM 1666 N SER A 104 -19.647 -14.564 -19.832 1.00 0.53 N ATOM 1667 CA SER A 104 -20.593 -15.477 -20.474 1.00 0.66 C ATOM 1668 C SER A 104 -20.327 -16.937 -20.079 1.00 0.72 C ATOM 1669 O SER A 104 -21.269 -17.689 -19.812 1.00 0.89 O ATOM 1670 CB SER A 104 -20.522 -15.329 -21.999 1.00 0.81 C ATOM 1671 OG SER A 104 -20.952 -14.036 -22.404 1.00 1.05 O ATOM 0 H SER A 104 -18.987 -14.126 -20.475 1.00 0.53 H new ATOM 0 HA SER A 104 -21.593 -15.211 -20.130 1.00 0.66 H new ATOM 0 HB2 SER A 104 -19.500 -15.499 -22.338 1.00 0.81 H new ATOM 0 HB3 SER A 104 -21.145 -16.088 -22.471 1.00 0.81 H new ATOM 0 HG SER A 104 -20.408 -13.355 -21.955 1.00 1.05 H new ATOM 1677 N SER A 105 -19.051 -17.351 -20.053 1.00 0.80 N ATOM 1678 CA SER A 105 -18.710 -18.741 -19.702 1.00 1.13 C ATOM 1679 C SER A 105 -17.272 -18.882 -19.175 1.00 1.23 C ATOM 1680 O SER A 105 -16.465 -19.613 -19.758 1.00 1.61 O ATOM 1681 CB SER A 105 -18.895 -19.647 -20.931 1.00 1.48 C ATOM 1682 OG SER A 105 -20.233 -19.590 -21.420 1.00 1.63 O ATOM 0 H SER A 105 -18.250 -16.757 -20.266 1.00 0.80 H new ATOM 0 HA SER A 105 -19.383 -19.044 -18.900 1.00 1.13 H new ATOM 0 HB2 SER A 105 -18.205 -19.342 -21.718 1.00 1.48 H new ATOM 0 HB3 SER A 105 -18.645 -20.675 -20.669 1.00 1.48 H new ATOM 0 HG SER A 105 -20.818 -19.214 -20.730 1.00 1.63 H new ATOM 1688 N ALA A 106 -16.952 -18.209 -18.068 1.00 1.29 N ATOM 1689 CA ALA A 106 -15.611 -18.303 -17.469 1.00 1.59 C ATOM 1690 C ALA A 106 -15.478 -19.623 -16.708 1.00 2.40 C ATOM 1691 O ALA A 106 -16.151 -19.782 -15.669 1.00 3.00 O ATOM 1692 CB ALA A 106 -15.355 -17.130 -16.512 1.00 1.90 C ATOM 1693 OXT ALA A 106 -14.711 -20.501 -17.148 1.00 3.05 O ATOM 0 H ALA A 106 -17.595 -17.596 -17.568 1.00 1.29 H new ATOM 0 HA ALA A 106 -14.873 -18.264 -18.270 1.00 1.59 H new ATOM 0 HB1 ALA A 106 -14.358 -17.222 -16.082 1.00 1.90 H new ATOM 0 HB2 ALA A 106 -15.429 -16.191 -17.060 1.00 1.90 H new ATOM 0 HB3 ALA A 106 -16.097 -17.143 -15.713 1.00 1.90 H new TER 1699 ALA A 106